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= 1.02 K(o=0.84,f=-4.3) USER MOD Set 1.2: B 64 HIS : no HD1:sc= -0.184 K(o=0.84,f=-9.5!) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.23 K(o=0.89,f=-10!) USER MOD Set 2.2: B 44 GLN : amide:sc= 1.12 K(o=0.89,f=-4.5) USER MOD Single : A 38 THR OG1 : rot 130:sc= 1.18 USER MOD Single : A 41 TYR OH : rot -21:sc= 2.07 USER MOD Single : A 43 MET CE :methyl 161:sc= -0.578 (180deg=-0.911) USER MOD Single : A 46 MET CE :methyl -153:sc= -1.27 (180deg=-2.52!) USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc=-0.00114 (180deg=-0.139) USER MOD Single : A 52 MET CE :methyl 170:sc= -5.65! (180deg=-5.92!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 7:sc= 1.07 USER MOD Single : A 57 ASN : amide:sc= -1.6! C(o=-1.6!,f=-8.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 126:sc= 1.22 USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0611) USER MOD Single : B 38 THR OG1 : rot 146:sc= 1.18 USER MOD Single : B 41 TYR OH : rot -18:sc= 2 USER MOD Single : B 43 MET CE :methyl 161:sc= -0.575 (180deg=-0.926) USER MOD Single : B 46 MET CE :methyl -152:sc= -1.25 (180deg=-2.46!) USER MOD Single : B 47 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ 168:sc= -0.0146 (180deg=-0.143) USER MOD Single : B 52 MET CE :methyl 171:sc= -5.76! (180deg=-6.09!) USER MOD Single : B 53 SER OG : rot 180:sc= 0 USER MOD Single : B 54 SER OG : rot 6:sc= 1.05 USER MOD Single : B 57 ASN : amide:sc= -1.69! C(o=-1.7!,f=-8.5!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 127:sc= 1.22 USER MOD Single : B 78 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0595) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 12.757 -6.079 -4.524 1.00 0.97 N ATOM 131 CA THR A 38 14.162 -5.844 -4.802 1.00 0.83 C ATOM 132 C THR A 38 14.642 -4.608 -4.049 1.00 0.72 C ATOM 133 O THR A 38 13.817 -3.809 -3.602 1.00 0.65 O ATOM 134 CB THR A 38 14.407 -5.656 -6.313 1.00 0.79 C ATOM 135 OG1 THR A 38 13.557 -4.621 -6.819 1.00 0.85 O ATOM 136 CG2 THR A 38 14.155 -6.946 -7.078 1.00 0.95 C ATOM 0 HA THR A 38 14.722 -6.717 -4.468 1.00 0.83 H new ATOM 0 HB THR A 38 15.451 -5.375 -6.453 1.00 0.79 H new ATOM 0 HG1 THR A 38 14.091 -3.984 -7.338 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.336 -6.781 -8.140 1.00 0.95 H new ATOM 0 HG22 THR A 38 14.826 -7.723 -6.712 1.00 0.95 H new ATOM 0 HG23 THR A 38 13.122 -7.260 -6.931 1.00 0.95 H new ATOM 144 N PRO A 39 15.961 -4.438 -3.863 1.00 0.74 N ATOM 145 CA PRO A 39 16.510 -3.268 -3.173 1.00 0.70 C ATOM 146 C PRO A 39 15.957 -1.953 -3.710 1.00 0.62 C ATOM 147 O PRO A 39 15.500 -1.113 -2.937 1.00 0.56 O ATOM 148 CB PRO A 39 18.003 -3.363 -3.445 1.00 0.78 C ATOM 149 CG PRO A 39 18.258 -4.818 -3.627 1.00 0.87 C ATOM 150 CD PRO A 39 17.020 -5.379 -4.274 1.00 0.83 C ATOM 0 HA PRO A 39 16.252 -3.270 -2.114 1.00 0.70 H new ATOM 0 HB2 PRO A 39 18.281 -2.797 -4.334 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.584 -2.959 -2.616 1.00 0.78 H new ATOM 0 HG2 PRO A 39 19.135 -4.985 -4.252 1.00 0.87 H new ATOM 0 HG3 PRO A 39 18.452 -5.303 -2.670 1.00 0.87 H new ATOM 0 HD2 PRO A 39 17.119 -5.423 -5.359 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.812 -6.392 -3.931 1.00 0.83 H new ATOM 158 N ASP A 40 15.972 -1.790 -5.033 1.00 0.66 N ATOM 159 CA ASP A 40 15.460 -0.568 -5.661 1.00 0.64 C ATOM 160 C ASP A 40 14.001 -0.344 -5.281 1.00 0.58 C ATOM 161 O ASP A 40 13.581 0.783 -5.017 1.00 0.58 O ATOM 162 CB ASP A 40 15.603 -0.617 -7.191 1.00 0.72 C ATOM 163 CG ASP A 40 14.733 -1.676 -7.846 1.00 1.44 C ATOM 164 OD1 ASP A 40 13.644 -1.336 -8.357 1.00 2.22 O ATOM 165 OD2 ASP A 40 15.140 -2.855 -7.861 1.00 2.15 O ATOM 0 H ASP A 40 16.331 -2.484 -5.689 1.00 0.66 H new ATOM 0 HA ASP A 40 16.058 0.266 -5.292 1.00 0.64 H new ATOM 0 HB2 ASP A 40 15.347 0.359 -7.604 1.00 0.72 H new ATOM 0 HB3 ASP A 40 16.646 -0.807 -7.445 1.00 0.72 H new ATOM 170 N TYR A 41 13.245 -1.432 -5.221 1.00 0.57 N ATOM 171 CA TYR A 41 11.848 -1.377 -4.828 1.00 0.54 C ATOM 172 C TYR A 41 11.733 -0.920 -3.377 1.00 0.46 C ATOM 173 O TYR A 41 10.821 -0.173 -3.017 1.00 0.43 O ATOM 174 CB TYR A 41 11.195 -2.754 -5.008 1.00 0.61 C ATOM 175 CG TYR A 41 9.709 -2.765 -4.739 1.00 0.63 C ATOM 176 CD1 TYR A 41 9.219 -2.932 -3.450 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.799 -2.594 -5.769 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.864 -2.925 -3.198 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.441 -2.591 -5.523 1.00 0.88 C ATOM 180 CZ TYR A 41 6.983 -2.758 -4.235 1.00 0.73 C ATOM 181 OH TYR A 41 5.638 -2.731 -3.977 1.00 0.81 O ATOM 0 H TYR A 41 13.581 -2.369 -5.442 1.00 0.57 H new ATOM 0 HA TYR A 41 11.328 -0.660 -5.463 1.00 0.54 H new ATOM 0 HB2 TYR A 41 11.373 -3.099 -6.026 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.681 -3.466 -4.341 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.911 -3.070 -2.632 1.00 0.64 H new ATOM 0 HD2 TYR A 41 9.157 -2.461 -6.779 1.00 0.83 H new ATOM 0 HE1 TYR A 41 7.498 -3.050 -2.190 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.742 -2.459 -6.335 1.00 0.88 H new ATOM 0 HH TYR A 41 5.461 -3.165 -3.116 1.00 0.81 H new ATOM 191 N LEU A 42 12.679 -1.346 -2.556 1.00 0.44 N ATOM 192 CA LEU A 42 12.649 -1.036 -1.136 1.00 0.39 C ATOM 193 C LEU A 42 13.148 0.381 -0.868 1.00 0.37 C ATOM 194 O LEU A 42 12.674 1.046 0.049 1.00 0.34 O ATOM 195 CB LEU A 42 13.485 -2.048 -0.348 1.00 0.43 C ATOM 196 CG LEU A 42 13.546 -1.815 1.164 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.150 -1.807 1.763 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.404 -2.876 1.834 1.00 0.48 C ATOM 0 H LEU A 42 13.478 -1.908 -2.849 1.00 0.44 H new ATOM 0 HA LEU A 42 11.613 -1.099 -0.804 1.00 0.39 H new ATOM 0 HB2 LEU A 42 13.083 -3.045 -0.529 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.502 -2.038 -0.741 1.00 0.43 H new ATOM 0 HG LEU A 42 14.001 -0.840 1.340 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.216 -1.640 2.838 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.563 -1.009 1.307 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.667 -2.766 1.574 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.435 -2.694 2.908 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.978 -3.861 1.645 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.415 -2.835 1.429 1.00 0.48 H new ATOM 210 N MET A 43 14.070 0.862 -1.695 1.00 0.40 N ATOM 211 CA MET A 43 14.684 2.164 -1.463 1.00 0.40 C ATOM 212 C MET A 43 13.679 3.259 -1.769 1.00 0.37 C ATOM 213 O MET A 43 13.619 4.284 -1.087 1.00 0.36 O ATOM 214 CB MET A 43 15.933 2.361 -2.328 1.00 0.47 C ATOM 215 CG MET A 43 17.039 1.337 -2.102 1.00 0.63 C ATOM 216 SD MET A 43 17.561 1.206 -0.379 1.00 0.85 S ATOM 217 CE MET A 43 16.687 -0.274 0.133 1.00 0.55 C ATOM 0 H MET A 43 14.406 0.374 -2.525 1.00 0.40 H new ATOM 0 HA MET A 43 14.987 2.212 -0.417 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.639 2.331 -3.377 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.335 3.356 -2.138 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.694 0.361 -2.444 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.900 1.604 -2.715 1.00 0.63 H new ATOM 0 HE1 MET A 43 17.150 -0.676 1.034 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.645 -0.028 0.339 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.734 -1.018 -0.662 1.00 0.55 H new ATOM 227 N GLN A 44 12.874 3.009 -2.789 1.00 0.36 N ATOM 228 CA GLN A 44 11.831 3.940 -3.186 1.00 0.35 C ATOM 229 C GLN A 44 10.755 4.005 -2.112 1.00 0.30 C ATOM 230 O GLN A 44 10.223 5.072 -1.810 1.00 0.30 O ATOM 231 CB GLN A 44 11.226 3.519 -4.522 1.00 0.42 C ATOM 232 CG GLN A 44 12.220 3.546 -5.672 1.00 0.52 C ATOM 233 CD GLN A 44 11.661 2.939 -6.940 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.456 2.990 -7.190 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.528 2.351 -7.744 1.00 0.75 N ATOM 0 H GLN A 44 12.924 2.165 -3.359 1.00 0.36 H new ATOM 0 HA GLN A 44 12.269 4.931 -3.303 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.820 2.512 -4.427 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.391 4.179 -4.758 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.516 4.577 -5.867 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.121 3.005 -5.381 1.00 0.52 H new ATOM 0 HE21 GLN A 44 13.518 2.331 -7.499 1.00 0.75 H new ATOM 0 HE22 GLN A 44 12.208 1.917 -8.610 1.00 0.75 H new ATOM 244 N LEU A 45 10.449 2.851 -1.523 1.00 0.27 N ATOM 245 CA LEU A 45 9.485 2.777 -0.435 1.00 0.25 C ATOM 246 C LEU A 45 9.947 3.570 0.776 1.00 0.23 C ATOM 247 O LEU A 45 9.131 4.153 1.492 1.00 0.23 O ATOM 248 CB LEU A 45 9.250 1.325 -0.025 1.00 0.29 C ATOM 249 CG LEU A 45 8.177 0.584 -0.817 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.120 -0.876 -0.396 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.827 1.246 -0.604 1.00 0.31 C ATOM 0 H LEU A 45 10.858 1.954 -1.784 1.00 0.27 H new ATOM 0 HA LEU A 45 8.554 3.210 -0.800 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.190 0.781 -0.123 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.978 1.303 1.030 1.00 0.29 H new ATOM 0 HG LEU A 45 8.430 0.628 -1.876 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.350 -1.390 -0.970 1.00 0.38 H new ATOM 0 HD12 LEU A 45 9.086 -1.346 -0.582 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.884 -0.939 0.666 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.066 0.712 -1.173 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.573 1.221 0.456 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.872 2.281 -0.942 1.00 0.31 H new ATOM 263 N MET A 46 11.258 3.602 0.997 1.00 0.26 N ATOM 264 CA MET A 46 11.807 4.283 2.159 1.00 0.28 C ATOM 265 C MET A 46 11.512 5.768 2.096 1.00 0.27 C ATOM 266 O MET A 46 11.292 6.405 3.127 1.00 0.41 O ATOM 267 CB MET A 46 13.317 4.090 2.274 1.00 0.33 C ATOM 268 CG MET A 46 13.762 2.649 2.435 1.00 0.39 C ATOM 269 SD MET A 46 15.507 2.520 2.878 1.00 0.49 S ATOM 270 CE MET A 46 16.244 3.667 1.713 1.00 0.49 C ATOM 0 H MET A 46 11.953 3.167 0.390 1.00 0.26 H new ATOM 0 HA MET A 46 11.330 3.842 3.034 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.791 4.505 1.385 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.679 4.665 3.126 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.157 2.167 3.203 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.584 2.109 1.505 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.274 3.372 1.514 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.677 3.655 0.782 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.229 4.672 2.134 1.00 0.49 H new ATOM 280 N ASN A 47 11.477 6.321 0.889 1.00 0.24 N ATOM 281 CA ASN A 47 11.285 7.749 0.720 1.00 0.30 C ATOM 282 C ASN A 47 9.806 8.082 0.825 1.00 0.26 C ATOM 283 O ASN A 47 9.434 9.146 1.309 1.00 0.27 O ATOM 284 CB ASN A 47 11.830 8.189 -0.646 1.00 0.42 C ATOM 285 CG ASN A 47 11.704 9.683 -0.903 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.855 10.487 0.134 1.00 1.61 O flip ATOM 287 ND2 ASN A 47 11.496 10.113 -2.038 1.00 1.42 N flip ATOM 0 H ASN A 47 11.579 5.801 0.018 1.00 0.24 H new ATOM 0 HA ASN A 47 11.825 8.281 1.503 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.880 7.905 -0.717 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.300 7.649 -1.430 1.00 0.42 H new ATOM 0 HD21 ASN A 47 11.384 9.464 -2.817 1.00 1.42 H new ATOM 0 HD22 ASN A 47 11.436 11.118 -2.199 1.00 1.42 H new ATOM 294 N ASP A 48 8.962 7.137 0.425 1.00 0.24 N ATOM 295 CA ASP A 48 7.521 7.352 0.420 1.00 0.24 C ATOM 296 C ASP A 48 6.989 7.341 1.848 1.00 0.25 C ATOM 297 O ASP A 48 6.263 8.247 2.262 1.00 0.30 O ATOM 298 CB ASP A 48 6.808 6.268 -0.403 1.00 0.25 C ATOM 299 CG ASP A 48 6.974 6.418 -1.908 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.579 7.411 -2.360 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.480 5.542 -2.654 1.00 0.74 O ATOM 0 H ASP A 48 9.252 6.215 0.100 1.00 0.24 H new ATOM 0 HA ASP A 48 7.323 8.322 -0.036 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.187 5.291 -0.102 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.745 6.285 -0.162 1.00 0.25 H new ATOM 306 N LYS A 49 7.376 6.312 2.602 1.00 0.22 N ATOM 307 CA LYS A 49 6.952 6.158 3.992 1.00 0.27 C ATOM 308 C LYS A 49 7.403 7.348 4.831 1.00 0.32 C ATOM 309 O LYS A 49 6.715 7.761 5.764 1.00 0.44 O ATOM 310 CB LYS A 49 7.528 4.863 4.579 1.00 0.31 C ATOM 311 CG LYS A 49 6.605 4.162 5.572 1.00 0.59 C ATOM 312 CD LYS A 49 6.431 4.945 6.862 1.00 0.92 C ATOM 313 CE LYS A 49 7.696 4.932 7.702 1.00 1.45 C ATOM 314 NZ LYS A 49 7.492 5.576 9.024 1.00 2.10 N ATOM 0 H LYS A 49 7.988 5.567 2.269 1.00 0.22 H new ATOM 0 HA LYS A 49 5.863 6.111 4.012 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.754 4.176 3.763 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.472 5.090 5.075 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.630 4.009 5.110 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.007 3.175 5.802 1.00 0.59 H new ATOM 0 HD2 LYS A 49 6.160 5.975 6.629 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.608 4.521 7.437 1.00 0.92 H new ATOM 0 HE2 LYS A 49 8.024 3.903 7.847 1.00 1.45 H new ATOM 0 HE3 LYS A 49 8.492 5.448 7.166 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 8.379 5.546 9.565 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 7.203 6.566 8.887 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 6.750 5.068 9.547 1.00 2.10 H new ATOM 328 N LYS A 50 8.539 7.925 4.478 1.00 0.30 N ATOM 329 CA LYS A 50 9.098 9.009 5.266 1.00 0.37 C ATOM 330 C LYS A 50 8.493 10.330 4.817 1.00 0.39 C ATOM 331 O LYS A 50 8.223 11.206 5.636 1.00 0.43 O ATOM 332 CB LYS A 50 10.626 9.047 5.154 1.00 0.42 C ATOM 333 CG LYS A 50 11.281 10.035 6.113 1.00 1.14 C ATOM 334 CD LYS A 50 12.799 9.903 6.122 1.00 1.67 C ATOM 335 CE LYS A 50 13.420 10.332 4.800 1.00 2.35 C ATOM 336 NZ LYS A 50 13.246 11.786 4.548 1.00 3.05 N ATOM 0 H LYS A 50 9.088 7.664 3.659 1.00 0.30 H new ATOM 0 HA LYS A 50 8.852 8.840 6.314 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.022 8.050 5.346 1.00 0.42 H new ATOM 0 HB3 LYS A 50 10.901 9.308 4.132 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.007 11.051 5.829 1.00 1.14 H new ATOM 0 HG3 LYS A 50 10.897 9.871 7.120 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.210 10.510 6.929 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.071 8.868 6.331 1.00 1.67 H new ATOM 0 HE2 LYS A 50 14.483 10.089 4.803 1.00 2.35 H new ATOM 0 HE3 LYS A 50 12.966 9.766 3.986 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 13.862 12.078 3.763 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 12.254 11.979 4.301 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 13.500 12.319 5.404 1.00 3.05 H new ATOM 350 N LEU A 51 8.267 10.461 3.512 1.00 0.38 N ATOM 351 CA LEU A 51 7.620 11.642 2.964 1.00 0.44 C ATOM 352 C LEU A 51 6.215 11.779 3.539 1.00 0.42 C ATOM 353 O LEU A 51 5.801 12.875 3.916 1.00 0.47 O ATOM 354 CB LEU A 51 7.580 11.566 1.431 1.00 0.48 C ATOM 355 CG LEU A 51 7.488 12.910 0.694 1.00 0.70 C ATOM 356 CD1 LEU A 51 7.906 12.744 -0.756 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.078 13.478 0.761 1.00 1.22 C ATOM 0 H LEU A 51 8.524 9.761 2.817 1.00 0.38 H new ATOM 0 HA LEU A 51 8.195 12.525 3.243 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.475 11.047 1.089 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.726 10.955 1.139 1.00 0.48 H new ATOM 0 HG LEU A 51 8.164 13.609 1.187 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.836 13.704 -1.267 1.00 1.10 H new ATOM 0 HD12 LEU A 51 8.934 12.384 -0.799 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.249 12.025 -1.244 1.00 1.10 H new ATOM 0 HD21 LEU A 51 6.044 14.430 0.231 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.382 12.779 0.298 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.797 13.633 1.803 1.00 1.22 H new ATOM 369 N MET A 52 5.493 10.664 3.655 1.00 0.39 N ATOM 370 CA MET A 52 4.155 10.690 4.229 1.00 0.37 C ATOM 371 C MET A 52 4.231 10.993 5.720 1.00 0.41 C ATOM 372 O MET A 52 3.361 11.658 6.275 1.00 0.47 O ATOM 373 CB MET A 52 3.433 9.359 3.991 1.00 0.33 C ATOM 374 CG MET A 52 3.077 9.105 2.546 1.00 1.29 C ATOM 375 SD MET A 52 2.169 7.572 2.308 1.00 1.25 S ATOM 376 CE MET A 52 3.385 6.366 2.814 1.00 0.31 C ATOM 0 H MET A 52 5.812 9.741 3.361 1.00 0.39 H new ATOM 0 HA MET A 52 3.585 11.478 3.737 1.00 0.37 H new ATOM 0 HB2 MET A 52 4.065 8.546 4.348 1.00 0.33 H new ATOM 0 HB3 MET A 52 2.521 9.340 4.588 1.00 0.33 H new ATOM 0 HG2 MET A 52 2.480 9.937 2.173 1.00 1.29 H new ATOM 0 HG3 MET A 52 3.990 9.076 1.952 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.915 5.386 2.891 1.00 0.31 H new ATOM 0 HE2 MET A 52 4.187 6.327 2.077 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.796 6.649 3.783 1.00 0.31 H new ATOM 386 N SER A 53 5.301 10.527 6.350 1.00 0.40 N ATOM 387 CA SER A 53 5.513 10.736 7.773 1.00 0.47 C ATOM 388 C SER A 53 5.832 12.202 8.069 1.00 0.50 C ATOM 389 O SER A 53 5.651 12.673 9.192 1.00 0.62 O ATOM 390 CB SER A 53 6.648 9.834 8.266 1.00 0.52 C ATOM 391 OG SER A 53 6.762 9.861 9.678 1.00 1.15 O ATOM 0 H SER A 53 6.042 9.997 5.891 1.00 0.40 H new ATOM 0 HA SER A 53 4.595 10.478 8.302 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.470 8.811 7.935 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.589 10.155 7.819 1.00 0.52 H new ATOM 0 HG SER A 53 7.495 9.274 9.958 1.00 1.15 H new ATOM 397 N SER A 54 6.309 12.921 7.060 1.00 0.49 N ATOM 398 CA SER A 54 6.630 14.332 7.220 1.00 0.53 C ATOM 399 C SER A 54 5.460 15.208 6.779 1.00 0.53 C ATOM 400 O SER A 54 5.544 16.437 6.784 1.00 0.53 O ATOM 401 CB SER A 54 7.893 14.675 6.429 1.00 0.60 C ATOM 402 OG SER A 54 7.781 14.291 5.066 1.00 1.30 O ATOM 0 H SER A 54 6.481 12.551 6.125 1.00 0.49 H new ATOM 0 HA SER A 54 6.816 14.529 8.276 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.081 15.747 6.491 1.00 0.60 H new ATOM 0 HB3 SER A 54 8.751 14.175 6.879 1.00 0.60 H new ATOM 0 HG SER A 54 6.868 13.983 4.887 1.00 1.30 H new ATOM 408 N LEU A 55 4.374 14.559 6.396 1.00 0.54 N ATOM 409 CA LEU A 55 3.170 15.259 5.975 1.00 0.57 C ATOM 410 C LEU A 55 2.127 15.240 7.088 1.00 0.65 C ATOM 411 O LEU A 55 1.595 14.184 7.429 1.00 0.65 O ATOM 412 CB LEU A 55 2.588 14.627 4.708 1.00 0.51 C ATOM 413 CG LEU A 55 3.445 14.752 3.446 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.759 14.066 2.273 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.721 16.214 3.125 1.00 0.64 C ATOM 0 H LEU A 55 4.300 13.542 6.368 1.00 0.54 H new ATOM 0 HA LEU A 55 3.440 16.292 5.757 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.411 13.569 4.901 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.617 15.081 4.511 1.00 0.51 H new ATOM 0 HG LEU A 55 4.400 14.259 3.627 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.379 14.162 1.382 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.615 13.010 2.502 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.791 14.534 2.094 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.332 16.280 2.224 1.00 0.64 H new ATOM 0 HD22 LEU A 55 2.778 16.735 2.963 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.252 16.675 3.958 1.00 0.64 H new ATOM 427 N PRO A 56 1.819 16.410 7.668 1.00 0.81 N ATOM 428 CA PRO A 56 0.828 16.521 8.739 1.00 0.94 C ATOM 429 C PRO A 56 -0.594 16.451 8.196 1.00 0.88 C ATOM 430 O PRO A 56 -1.558 16.300 8.947 1.00 1.19 O ATOM 431 CB PRO A 56 1.116 17.896 9.338 1.00 1.14 C ATOM 432 CG PRO A 56 1.676 18.691 8.210 1.00 1.26 C ATOM 433 CD PRO A 56 2.414 17.717 7.327 1.00 0.98 C ATOM 0 HA PRO A 56 0.898 15.710 9.464 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.209 18.354 9.733 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.824 17.828 10.164 1.00 1.14 H new ATOM 0 HG2 PRO A 56 0.882 19.192 7.656 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.347 19.467 8.578 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.280 17.954 6.271 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.486 17.732 7.524 1.00 0.98 H new ATOM 441 N ASN A 57 -0.704 16.547 6.881 1.00 0.63 N ATOM 442 CA ASN A 57 -1.988 16.450 6.209 1.00 0.62 C ATOM 443 C ASN A 57 -2.260 15.002 5.834 1.00 0.57 C ATOM 444 O ASN A 57 -3.414 14.598 5.661 1.00 0.59 O ATOM 445 CB ASN A 57 -2.031 17.333 4.954 1.00 0.68 C ATOM 446 CG ASN A 57 -1.009 16.934 3.904 1.00 1.32 C ATOM 447 OD1 ASN A 57 0.091 16.485 4.225 1.00 2.22 O ATOM 448 ND2 ASN A 57 -1.369 17.090 2.640 1.00 1.73 N ATOM 0 H ASN A 57 0.087 16.693 6.254 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.759 16.803 6.894 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -3.029 17.284 4.517 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -1.860 18.370 5.242 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.725 16.835 1.891 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -2.290 17.466 2.415 1.00 1.73 H new ATOM 455 N PHE A 58 -1.182 14.231 5.720 1.00 0.62 N ATOM 456 CA PHE A 58 -1.262 12.821 5.372 1.00 0.70 C ATOM 457 C PHE A 58 -2.125 12.066 6.368 1.00 0.90 C ATOM 458 O PHE A 58 -2.999 11.286 5.979 1.00 1.77 O ATOM 459 CB PHE A 58 0.138 12.214 5.317 1.00 0.69 C ATOM 460 CG PHE A 58 0.142 10.722 5.195 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.267 10.112 4.024 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.556 9.930 6.251 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.261 8.737 3.908 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.564 8.557 6.141 1.00 1.15 C ATOM 465 CZ PHE A 58 0.155 7.960 4.967 1.00 0.69 C ATOM 0 H PHE A 58 -0.231 14.568 5.867 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.724 12.735 4.389 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.676 12.640 4.471 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.683 12.498 6.217 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.594 10.717 3.192 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.877 10.394 7.172 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.582 8.271 2.988 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.890 7.949 6.972 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.161 6.884 4.878 1.00 0.69 H new ATOM 475 N SER A 59 -1.860 12.292 7.649 1.00 0.91 N ATOM 476 CA SER A 59 -2.667 11.731 8.718 1.00 1.02 C ATOM 477 C SER A 59 -4.070 12.337 8.706 1.00 1.10 C ATOM 478 O SER A 59 -4.422 13.145 9.564 1.00 1.84 O ATOM 479 CB SER A 59 -1.980 11.992 10.058 1.00 1.21 C ATOM 480 OG SER A 59 -0.623 11.582 10.015 1.00 1.84 O ATOM 0 H SER A 59 -1.082 12.867 7.972 1.00 0.91 H new ATOM 0 HA SER A 59 -2.765 10.656 8.568 1.00 1.02 H new ATOM 0 HB2 SER A 59 -2.037 13.053 10.301 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.502 11.456 10.850 1.00 1.21 H new ATOM 0 HG SER A 59 -0.200 11.759 10.881 1.00 1.84 H new ATOM 486 N GLY A 60 -4.848 11.961 7.706 1.00 0.91 N ATOM 487 CA GLY A 60 -6.191 12.465 7.566 1.00 0.87 C ATOM 488 C GLY A 60 -6.715 12.277 6.158 1.00 0.66 C ATOM 489 O GLY A 60 -7.880 11.930 5.966 1.00 0.73 O ATOM 0 H GLY A 60 -4.565 11.304 6.978 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.847 11.953 8.270 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.211 13.524 7.824 1.00 0.87 H new ATOM 493 N ILE A 61 -5.858 12.503 5.165 1.00 0.50 N ATOM 494 CA ILE A 61 -6.268 12.347 3.774 1.00 0.54 C ATOM 495 C ILE A 61 -6.348 10.883 3.359 1.00 0.73 C ATOM 496 O ILE A 61 -7.219 10.517 2.573 1.00 1.81 O ATOM 497 CB ILE A 61 -5.367 13.127 2.782 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.878 12.908 3.076 1.00 0.64 C ATOM 499 CG2 ILE A 61 -5.711 14.608 2.812 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.959 13.748 2.211 1.00 0.78 C ATOM 0 H ILE A 61 -4.888 12.791 5.296 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.267 12.780 3.723 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.560 12.741 1.781 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.686 13.136 4.124 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.638 11.855 2.930 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -5.071 15.144 2.111 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -6.755 14.745 2.529 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.554 14.998 3.818 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.922 13.541 2.474 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.123 13.503 1.162 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.171 14.805 2.374 1.00 0.78 H new ATOM 512 N PHE A 62 -5.466 10.032 3.878 1.00 0.58 N ATOM 513 CA PHE A 62 -5.491 8.618 3.515 1.00 0.50 C ATOM 514 C PHE A 62 -5.490 7.772 4.780 1.00 0.51 C ATOM 515 O PHE A 62 -4.735 8.047 5.714 1.00 0.76 O ATOM 516 CB PHE A 62 -4.272 8.246 2.670 1.00 0.50 C ATOM 517 CG PHE A 62 -3.900 9.259 1.629 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.815 9.693 0.686 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.620 9.773 1.596 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.454 10.618 -0.268 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.254 10.698 0.646 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.172 11.121 -0.289 1.00 0.59 C ATOM 0 H PHE A 62 -4.736 10.291 4.541 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.393 8.431 2.932 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.420 8.096 3.332 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -4.465 7.293 2.178 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.822 9.303 0.698 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.895 9.444 2.326 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.176 10.949 -1.000 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.248 11.092 0.634 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.887 11.846 -1.037 1.00 0.59 H new ATOM 532 N THR A 63 -6.336 6.757 4.811 1.00 0.34 N ATOM 533 CA THR A 63 -6.471 5.916 5.990 1.00 0.38 C ATOM 534 C THR A 63 -5.550 4.688 5.935 1.00 0.30 C ATOM 535 O THR A 63 -4.789 4.428 6.866 1.00 0.38 O ATOM 536 CB THR A 63 -7.932 5.457 6.163 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.818 6.573 5.992 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.150 4.848 7.542 1.00 0.66 C ATOM 0 H THR A 63 -6.941 6.494 4.033 1.00 0.34 H new ATOM 0 HA THR A 63 -6.173 6.521 6.846 1.00 0.38 H new ATOM 0 HB THR A 63 -8.142 4.700 5.408 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.745 6.274 6.101 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.188 4.532 7.640 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.495 3.986 7.667 1.00 0.66 H new ATOM 0 HG23 THR A 63 -7.923 5.590 8.307 1.00 0.66 H new ATOM 546 N HIS A 64 -5.614 3.946 4.834 1.00 0.26 N ATOM 547 CA HIS A 64 -4.949 2.639 4.746 1.00 0.25 C ATOM 548 C HIS A 64 -3.544 2.732 4.158 1.00 0.25 C ATOM 549 O HIS A 64 -2.738 1.817 4.323 1.00 0.54 O ATOM 550 CB HIS A 64 -5.790 1.662 3.920 1.00 0.33 C ATOM 551 CG HIS A 64 -7.045 1.227 4.607 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.699 0.050 4.318 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.767 1.824 5.579 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.768 -0.055 5.087 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.830 1.008 5.859 1.00 0.68 N ATOM 0 H HIS A 64 -6.116 4.221 3.990 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.853 2.270 5.767 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -6.049 2.130 2.970 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.189 0.783 3.688 1.00 0.33 H new ATOM 0 HD2 HIS A 64 -7.547 2.771 6.049 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -9.471 -0.874 5.083 1.00 0.83 H new ATOM 0 HE2 HIS A 64 -9.553 1.194 6.554 1.00 0.68 H new ATOM 564 N LEU A 65 -3.261 3.836 3.486 1.00 0.32 N ATOM 565 CA LEU A 65 -2.017 3.994 2.727 1.00 0.22 C ATOM 566 C LEU A 65 -0.781 3.863 3.628 1.00 0.20 C ATOM 567 O LEU A 65 0.197 3.207 3.261 1.00 0.24 O ATOM 568 CB LEU A 65 -2.024 5.345 1.990 1.00 0.29 C ATOM 569 CG LEU A 65 -2.829 5.389 0.671 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.121 4.618 -0.425 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.232 4.840 0.862 1.00 0.99 C ATOM 0 H LEU A 65 -3.878 4.647 3.447 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.961 3.191 1.993 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.425 6.102 2.663 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.993 5.624 1.774 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.904 6.435 0.373 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.709 4.665 -1.341 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.138 5.056 -0.601 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.005 3.577 -0.122 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.772 4.885 -0.084 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.175 3.805 1.199 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.757 5.436 1.608 1.00 0.99 H new ATOM 583 N GLU A 66 -0.849 4.455 4.815 1.00 0.30 N ATOM 584 CA GLU A 66 0.259 4.410 5.768 1.00 0.40 C ATOM 585 C GLU A 66 0.596 2.972 6.148 1.00 0.38 C ATOM 586 O GLU A 66 1.752 2.549 6.074 1.00 0.38 O ATOM 587 CB GLU A 66 -0.096 5.192 7.033 1.00 0.53 C ATOM 588 CG GLU A 66 1.028 5.249 8.054 1.00 0.88 C ATOM 589 CD GLU A 66 0.598 5.887 9.356 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.040 5.173 10.215 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.815 7.103 9.534 1.00 1.75 O ATOM 0 H GLU A 66 -1.663 4.975 5.143 1.00 0.30 H new ATOM 0 HA GLU A 66 1.127 4.862 5.289 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.373 6.209 6.755 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.972 4.738 7.496 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.388 4.239 8.250 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.864 5.810 7.637 1.00 0.88 H new ATOM 598 N ARG A 67 -0.428 2.221 6.541 1.00 0.42 N ATOM 599 CA ARG A 67 -0.237 0.864 7.032 1.00 0.44 C ATOM 600 C ARG A 67 0.328 -0.034 5.939 1.00 0.39 C ATOM 601 O ARG A 67 1.122 -0.936 6.211 1.00 0.40 O ATOM 602 CB ARG A 67 -1.555 0.279 7.533 1.00 0.54 C ATOM 603 CG ARG A 67 -1.368 -0.857 8.525 1.00 0.74 C ATOM 604 CD ARG A 67 -2.543 -1.813 8.517 1.00 0.86 C ATOM 605 NE ARG A 67 -2.390 -2.821 7.472 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.127 -2.885 6.371 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.108 -2.017 6.172 1.00 1.71 N ATOM 608 NH2 ARG A 67 -2.875 -3.819 5.459 1.00 2.07 N ATOM 0 H ARG A 67 -1.400 2.531 6.528 1.00 0.42 H new ATOM 0 HA ARG A 67 0.472 0.910 7.858 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -2.141 1.070 8.002 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.132 -0.082 6.681 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.455 -1.402 8.285 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -1.240 -0.447 9.527 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.626 -2.301 9.488 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.467 -1.257 8.359 1.00 0.86 H new ATOM 0 HE ARG A 67 -1.664 -3.527 7.598 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.299 -1.295 6.867 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -4.672 -2.070 5.324 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -2.116 -4.484 5.607 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -3.440 -3.870 4.612 1.00 2.07 H new ATOM 622 N LEU A 68 -0.067 0.234 4.700 1.00 0.35 N ATOM 623 CA LEU A 68 0.345 -0.590 3.571 1.00 0.34 C ATOM 624 C LEU A 68 1.845 -0.501 3.310 1.00 0.31 C ATOM 625 O LEU A 68 2.419 -1.393 2.700 1.00 0.40 O ATOM 626 CB LEU A 68 -0.444 -0.222 2.314 1.00 0.33 C ATOM 627 CG LEU A 68 -1.835 -0.850 2.214 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.483 -0.492 0.888 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.759 -2.361 2.376 1.00 0.61 C ATOM 0 H LEU A 68 -0.673 1.016 4.452 1.00 0.35 H new ATOM 0 HA LEU A 68 0.124 -1.625 3.832 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.548 0.862 2.274 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.136 -0.519 1.440 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.449 -0.451 3.022 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.472 -0.946 0.832 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.576 0.591 0.809 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.866 -0.864 0.070 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.760 -2.786 2.301 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.128 -2.780 1.592 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.335 -2.602 3.351 1.00 0.61 H new ATOM 641 N LEU A 69 2.492 0.543 3.807 1.00 0.27 N ATOM 642 CA LEU A 69 3.944 0.635 3.668 1.00 0.24 C ATOM 643 C LEU A 69 4.615 -0.133 4.804 1.00 0.25 C ATOM 644 O LEU A 69 5.622 -0.833 4.617 1.00 0.26 O ATOM 645 CB LEU A 69 4.441 2.089 3.656 1.00 0.25 C ATOM 646 CG LEU A 69 4.381 2.819 2.305 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.694 3.520 2.021 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.048 1.867 1.172 1.00 0.30 C ATOM 0 H LEU A 69 2.052 1.321 4.298 1.00 0.27 H new ATOM 0 HA LEU A 69 4.210 0.195 2.707 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.854 2.657 4.378 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.473 2.100 4.005 1.00 0.25 H new ATOM 0 HG LEU A 69 3.585 3.561 2.369 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.633 4.031 1.060 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.896 4.247 2.807 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.499 2.786 1.991 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.014 2.418 0.232 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.812 1.092 1.111 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.078 1.406 1.358 1.00 0.30 H new ATOM 660 N ASP A 70 4.006 -0.074 5.974 1.00 0.29 N ATOM 661 CA ASP A 70 4.610 -0.684 7.143 1.00 0.35 C ATOM 662 C ASP A 70 4.572 -2.196 6.994 1.00 0.38 C ATOM 663 O ASP A 70 5.385 -2.904 7.573 1.00 0.43 O ATOM 664 CB ASP A 70 3.913 -0.243 8.430 1.00 0.43 C ATOM 665 CG ASP A 70 4.566 -0.827 9.672 1.00 0.91 C ATOM 666 OD1 ASP A 70 3.872 -1.508 10.452 1.00 1.62 O ATOM 667 OD2 ASP A 70 5.784 -0.613 9.873 1.00 1.56 O ATOM 0 H ASP A 70 3.109 0.382 6.139 1.00 0.29 H new ATOM 0 HA ASP A 70 5.646 -0.354 7.215 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.927 0.845 8.493 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.867 -0.547 8.396 1.00 0.43 H new ATOM 672 N GLU A 71 3.635 -2.689 6.191 1.00 0.42 N ATOM 673 CA GLU A 71 3.585 -4.105 5.879 1.00 0.50 C ATOM 674 C GLU A 71 4.406 -4.413 4.630 1.00 0.45 C ATOM 675 O GLU A 71 5.166 -5.375 4.620 1.00 0.48 O ATOM 676 CB GLU A 71 2.141 -4.563 5.691 1.00 0.61 C ATOM 677 CG GLU A 71 1.255 -4.200 6.867 1.00 0.94 C ATOM 678 CD GLU A 71 -0.112 -4.844 6.817 1.00 1.47 C ATOM 679 OE1 GLU A 71 -0.537 -5.285 5.733 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.778 -4.896 7.868 1.00 2.18 O ATOM 0 H GLU A 71 2.906 -2.129 5.749 1.00 0.42 H new ATOM 0 HA GLU A 71 4.016 -4.652 6.717 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.737 -4.114 4.784 1.00 0.61 H new ATOM 0 HB3 GLU A 71 2.122 -5.643 5.547 1.00 0.61 H new ATOM 0 HG2 GLU A 71 1.753 -4.495 7.791 1.00 0.94 H new ATOM 0 HG3 GLU A 71 1.136 -3.117 6.901 1.00 0.94 H new ATOM 687 N GLU A 72 4.279 -3.579 3.593 1.00 0.43 N ATOM 688 CA GLU A 72 4.996 -3.803 2.333 1.00 0.45 C ATOM 689 C GLU A 72 6.498 -3.678 2.549 1.00 0.42 C ATOM 690 O GLU A 72 7.272 -4.541 2.153 1.00 0.47 O ATOM 691 CB GLU A 72 4.555 -2.804 1.260 1.00 0.46 C ATOM 692 CG GLU A 72 5.207 -3.038 -0.095 1.00 0.57 C ATOM 693 CD GLU A 72 4.668 -4.262 -0.807 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.430 -5.288 -0.144 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.494 -4.204 -2.041 1.00 1.33 O ATOM 0 H GLU A 72 3.690 -2.747 3.600 1.00 0.43 H new ATOM 0 HA GLU A 72 4.758 -4.811 1.992 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.472 -2.859 1.147 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.789 -1.794 1.597 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.052 -2.161 -0.723 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.283 -3.147 0.040 1.00 0.57 H new ATOM 702 N ILE A 73 6.888 -2.616 3.228 1.00 0.35 N ATOM 703 CA ILE A 73 8.289 -2.347 3.495 1.00 0.34 C ATOM 704 C ILE A 73 8.855 -3.445 4.369 1.00 0.40 C ATOM 705 O ILE A 73 9.970 -3.913 4.152 1.00 0.45 O ATOM 706 CB ILE A 73 8.491 -0.975 4.171 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.254 0.132 3.149 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.877 -0.853 4.792 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.434 1.524 3.705 1.00 0.27 C ATOM 0 H ILE A 73 6.248 -1.919 3.608 1.00 0.35 H new ATOM 0 HA ILE A 73 8.817 -2.322 2.542 1.00 0.34 H new ATOM 0 HB ILE A 73 7.769 -0.878 4.982 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.939 -0.006 2.312 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.243 0.037 2.753 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.982 0.127 5.258 1.00 0.33 H new ATOM 0 HG22 ILE A 73 10.008 -1.630 5.546 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.634 -0.969 4.017 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.249 2.256 2.919 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.731 1.683 4.522 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.453 1.639 4.075 1.00 0.27 H new ATOM 721 N SER A 74 8.061 -3.885 5.331 1.00 0.41 N ATOM 722 CA SER A 74 8.501 -4.973 6.207 1.00 0.49 C ATOM 723 C SER A 74 8.634 -6.298 5.442 1.00 0.54 C ATOM 724 O SER A 74 9.642 -6.997 5.565 1.00 0.60 O ATOM 725 CB SER A 74 7.556 -5.144 7.394 1.00 0.52 C ATOM 726 OG SER A 74 7.584 -4.001 8.233 1.00 1.34 O ATOM 0 H SER A 74 7.129 -3.520 5.528 1.00 0.41 H new ATOM 0 HA SER A 74 9.486 -4.699 6.584 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.541 -5.311 7.034 1.00 0.52 H new ATOM 0 HB3 SER A 74 7.841 -6.027 7.966 1.00 0.52 H new ATOM 0 HG SER A 74 6.672 -3.663 8.356 1.00 1.34 H new ATOM 732 N ARG A 75 7.647 -6.609 4.609 1.00 0.55 N ATOM 733 CA ARG A 75 7.629 -7.902 3.924 1.00 0.63 C ATOM 734 C ARG A 75 8.694 -7.941 2.838 1.00 0.65 C ATOM 735 O ARG A 75 9.342 -8.965 2.637 1.00 0.72 O ATOM 736 CB ARG A 75 6.255 -8.243 3.328 1.00 0.74 C ATOM 737 CG ARG A 75 5.744 -7.237 2.318 1.00 0.76 C ATOM 738 CD ARG A 75 4.757 -7.863 1.349 1.00 1.25 C ATOM 739 NE ARG A 75 5.414 -8.783 0.416 1.00 1.84 N ATOM 740 CZ ARG A 75 5.461 -8.595 -0.907 1.00 2.73 C ATOM 741 NH1 ARG A 75 4.963 -7.490 -1.446 1.00 3.05 N ATOM 742 NH2 ARG A 75 6.047 -9.491 -1.689 1.00 3.67 N ATOM 0 H ARG A 75 6.860 -5.997 4.392 1.00 0.55 H new ATOM 0 HA ARG A 75 7.846 -8.659 4.678 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.312 -9.221 2.851 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.531 -8.325 4.139 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.265 -6.409 2.840 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.584 -6.820 1.763 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.990 -8.399 1.908 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.251 -7.077 0.788 1.00 1.25 H new ATOM 0 HE ARG A 75 5.862 -9.616 0.799 1.00 1.84 H new ATOM 0 HH11 ARG A 75 4.541 -6.777 -0.850 1.00 3.05 H new ATOM 0 HH12 ARG A 75 5.002 -7.353 -2.456 1.00 3.05 H new ATOM 0 HH21 ARG A 75 6.464 -10.328 -1.282 1.00 3.67 H new ATOM 0 HH22 ARG A 75 6.080 -9.343 -2.698 1.00 3.67 H new ATOM 756 N VAL A 76 8.890 -6.812 2.167 1.00 0.62 N ATOM 757 CA VAL A 76 9.904 -6.689 1.126 1.00 0.67 C ATOM 758 C VAL A 76 11.301 -6.961 1.685 1.00 0.71 C ATOM 759 O VAL A 76 12.175 -7.455 0.976 1.00 0.84 O ATOM 760 CB VAL A 76 9.848 -5.284 0.469 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.109 -4.976 -0.318 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.634 -5.177 -0.439 1.00 0.58 C ATOM 0 H VAL A 76 8.353 -5.960 2.328 1.00 0.62 H new ATOM 0 HA VAL A 76 9.692 -7.437 0.362 1.00 0.67 H new ATOM 0 HB VAL A 76 9.769 -4.551 1.272 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.028 -3.983 -0.761 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.971 -5.006 0.349 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.235 -5.717 -1.108 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.606 -4.187 -0.894 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.697 -5.934 -1.221 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.727 -5.333 0.146 1.00 0.58 H new ATOM 772 N ARG A 77 11.488 -6.690 2.971 1.00 0.65 N ATOM 773 CA ARG A 77 12.785 -6.878 3.607 1.00 0.73 C ATOM 774 C ARG A 77 13.159 -8.358 3.656 1.00 0.86 C ATOM 775 O ARG A 77 14.314 -8.721 3.436 1.00 0.98 O ATOM 776 CB ARG A 77 12.786 -6.295 5.019 1.00 0.75 C ATOM 777 CG ARG A 77 12.698 -4.780 5.061 1.00 0.81 C ATOM 778 CD ARG A 77 12.598 -4.280 6.493 1.00 0.84 C ATOM 779 NE ARG A 77 12.495 -2.823 6.579 1.00 1.39 N ATOM 780 CZ ARG A 77 12.145 -2.170 7.690 1.00 1.71 C ATOM 781 NH1 ARG A 77 11.853 -2.842 8.796 1.00 1.45 N ATOM 782 NH2 ARG A 77 12.083 -0.846 7.693 1.00 2.73 N ATOM 0 H ARG A 77 10.759 -6.340 3.593 1.00 0.65 H new ATOM 0 HA ARG A 77 13.528 -6.350 3.008 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.946 -6.713 5.574 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.695 -6.610 5.531 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.576 -4.348 4.582 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.829 -4.447 4.494 1.00 0.81 H new ATOM 0 HD2 ARG A 77 11.727 -4.730 6.970 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.474 -4.611 7.051 1.00 0.84 H new ATOM 0 HE ARG A 77 12.702 -2.276 5.744 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.895 -3.861 8.800 1.00 1.45 H new ATOM 0 HH12 ARG A 77 11.586 -2.340 9.643 1.00 1.45 H new ATOM 0 HH21 ARG A 77 12.303 -0.323 6.845 1.00 2.73 H new ATOM 0 HH22 ARG A 77 11.815 -0.350 8.543 1.00 2.73 H new ATOM 796 N LYS A 78 12.180 -9.213 3.933 1.00 0.90 N ATOM 797 CA LYS A 78 12.431 -10.645 4.015 1.00 1.08 C ATOM 798 C LYS A 78 12.269 -11.289 2.647 1.00 1.11 C ATOM 799 O LYS A 78 13.049 -12.158 2.256 1.00 1.32 O ATOM 800 CB LYS A 78 11.459 -11.305 4.992 1.00 1.13 C ATOM 801 CG LYS A 78 11.513 -10.754 6.404 1.00 1.35 C ATOM 802 CD LYS A 78 10.516 -9.626 6.577 1.00 2.01 C ATOM 803 CE LYS A 78 10.661 -8.939 7.925 1.00 2.67 C ATOM 804 NZ LYS A 78 10.431 -9.876 9.055 1.00 3.44 N ATOM 0 H LYS A 78 11.212 -8.940 4.103 1.00 0.90 H new ATOM 0 HA LYS A 78 13.452 -10.788 4.368 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.445 -11.189 4.609 1.00 1.13 H new ATOM 0 HB3 LYS A 78 11.667 -12.374 5.025 1.00 1.13 H new ATOM 0 HG2 LYS A 78 11.298 -11.549 7.118 1.00 1.35 H new ATOM 0 HG3 LYS A 78 12.519 -10.394 6.621 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.654 -8.895 5.781 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.504 -10.018 6.477 1.00 2.01 H new ATOM 0 HE2 LYS A 78 11.659 -8.510 8.008 1.00 2.67 H new ATOM 0 HE3 LYS A 78 9.953 -8.113 7.989 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 10.439 -9.348 9.951 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 9.510 -10.343 8.936 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 11.184 -10.594 9.070 1.00 3.44 H new ATOM 999 N THR B 38 -12.174 -7.287 4.937 1.00 0.97 N ATOM 1000 CA THR B 38 -13.598 -7.199 5.211 1.00 0.84 C ATOM 1001 C THR B 38 -14.208 -6.042 4.428 1.00 0.72 C ATOM 1002 O THR B 38 -13.473 -5.168 3.963 1.00 0.66 O ATOM 1003 CB THR B 38 -13.865 -6.997 6.717 1.00 0.79 C ATOM 1004 OG1 THR B 38 -13.130 -5.864 7.196 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.479 -8.233 7.517 1.00 0.95 C ATOM 0 HA THR B 38 -14.058 -8.137 4.901 1.00 0.84 H new ATOM 0 HB THR B 38 -14.933 -6.824 6.849 1.00 0.79 H new ATOM 0 HG1 THR B 38 -13.648 -5.408 7.892 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.679 -8.059 8.574 1.00 0.95 H new ATOM 0 HG22 THR B 38 -14.063 -9.086 7.173 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.418 -8.440 7.378 1.00 0.95 H new ATOM 1013 N PRO B 39 -15.537 -6.018 4.237 1.00 0.74 N ATOM 1014 CA PRO B 39 -16.205 -4.930 3.519 1.00 0.70 C ATOM 1015 C PRO B 39 -15.793 -3.551 4.022 1.00 0.62 C ATOM 1016 O PRO B 39 -15.428 -2.688 3.229 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.681 -5.175 3.794 1.00 0.78 C ATOM 1018 CG PRO B 39 -17.782 -6.645 4.016 1.00 0.87 C ATOM 1019 CD PRO B 39 -16.492 -7.056 4.673 1.00 0.83 C ATOM 0 HA PRO B 39 -15.947 -4.931 2.460 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -18.019 -4.618 4.668 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -18.299 -4.857 2.954 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -18.636 -6.886 4.649 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -17.925 -7.173 3.073 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -16.586 -7.085 5.759 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -16.178 -8.050 4.354 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.826 -3.355 5.340 1.00 0.65 N ATOM 1028 CA ASP B 40 -15.448 -2.069 5.933 1.00 0.64 C ATOM 1029 C ASP B 40 -14.021 -1.702 5.544 1.00 0.57 C ATOM 1030 O ASP B 40 -13.725 -0.545 5.248 1.00 0.57 O ATOM 1031 CB ASP B 40 -15.589 -2.091 7.462 1.00 0.72 C ATOM 1032 CG ASP B 40 -14.607 -3.022 8.149 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -13.555 -2.546 8.629 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -14.882 -4.238 8.222 1.00 2.16 O ATOM 0 H ASP B 40 -16.109 -4.065 6.016 1.00 0.65 H new ATOM 0 HA ASP B 40 -16.129 -1.313 5.543 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -15.449 -1.081 7.846 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -16.604 -2.392 7.721 1.00 0.72 H new ATOM 1039 N TYR B 41 -13.154 -2.705 5.511 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.770 -2.512 5.117 1.00 0.54 C ATOM 1041 C TYR B 41 -11.699 -2.083 3.655 1.00 0.46 C ATOM 1042 O TYR B 41 -10.869 -1.256 3.273 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.977 -3.806 5.334 1.00 0.61 C ATOM 1044 CG TYR B 41 -9.497 -3.667 5.062 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.991 -3.814 3.779 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.611 -3.375 6.089 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.642 -3.671 3.526 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -7.261 -3.235 5.842 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.785 -3.385 4.556 1.00 0.73 C ATOM 1050 OH TYR B 41 -5.451 -3.225 4.298 1.00 0.82 O ATOM 0 H TYR B 41 -13.390 -3.667 5.755 1.00 0.57 H new ATOM 0 HA TYR B 41 -11.331 -1.727 5.733 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -11.118 -4.140 6.362 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -11.384 -4.584 4.688 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.663 -4.044 2.965 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.983 -3.256 7.096 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -7.264 -3.784 2.521 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.581 -3.009 6.650 1.00 0.88 H new ATOM 0 HH TYR B 41 -5.237 -3.619 3.427 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.597 -2.627 2.847 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.599 -2.353 1.420 1.00 0.39 C ATOM 1062 C LEU B 42 -13.247 -1.005 1.117 1.00 0.36 C ATOM 1063 O LEU B 42 -12.847 -0.319 0.179 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.324 -3.469 0.664 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.404 -3.287 -0.855 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -12.017 -3.145 -1.454 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.144 -4.450 -1.495 1.00 0.48 C ATOM 0 H LEU B 42 -13.334 -3.261 3.157 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.562 -2.313 1.085 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.822 -4.413 0.874 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.337 -3.553 1.057 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.959 -2.371 -1.059 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.098 -3.017 -2.533 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.521 -2.276 -1.022 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.434 -4.040 -1.238 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.190 -4.302 -2.574 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.618 -5.380 -1.278 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -15.156 -4.503 -1.092 1.00 0.48 H new ATOM 1079 N MET B 43 -14.216 -0.601 1.932 1.00 0.39 N ATOM 1080 CA MET B 43 -14.962 0.622 1.666 1.00 0.40 C ATOM 1081 C MET B 43 -14.078 1.823 1.943 1.00 0.36 C ATOM 1082 O MET B 43 -14.124 2.829 1.232 1.00 0.36 O ATOM 1083 CB MET B 43 -16.228 0.709 2.527 1.00 0.47 C ATOM 1084 CG MET B 43 -17.221 -0.433 2.330 1.00 0.63 C ATOM 1085 SD MET B 43 -17.725 -0.665 0.612 1.00 0.85 S ATOM 1086 CE MET B 43 -16.693 -2.054 0.138 1.00 0.54 C ATOM 0 H MET B 43 -14.501 -1.099 2.776 1.00 0.39 H new ATOM 0 HA MET B 43 -15.266 0.612 0.619 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.934 0.738 3.576 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.733 1.651 2.311 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.776 -1.358 2.697 1.00 0.63 H new ATOM 0 HG3 MET B 43 -18.106 -0.242 2.937 1.00 0.63 H new ATOM 0 HE1 MET B 43 -17.108 -2.529 -0.751 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.684 -1.701 -0.076 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.659 -2.777 0.953 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.254 1.689 2.968 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.316 2.737 3.337 1.00 0.35 C ATOM 1098 C GLN B 44 -11.252 2.884 2.258 1.00 0.30 C ATOM 1099 O GLN B 44 -10.839 3.994 1.922 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.666 2.416 4.681 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.655 2.366 5.834 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.032 1.844 7.113 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.835 2.014 7.354 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.836 1.197 7.935 1.00 0.75 N ATOM 0 H GLN B 44 -13.215 0.861 3.562 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.857 3.679 3.430 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.155 1.456 4.609 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.906 3.167 4.897 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.054 3.365 6.010 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.497 1.731 5.559 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -13.821 1.079 7.697 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -12.473 0.815 8.808 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.825 1.755 1.700 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.857 1.754 0.611 1.00 0.25 C ATOM 1115 C LEU B 45 -10.399 2.460 -0.620 1.00 0.23 C ATOM 1116 O LEU B 45 -9.648 3.106 -1.353 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.470 0.325 0.240 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.325 -0.276 1.050 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.111 -1.731 0.669 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.052 0.519 0.816 1.00 0.31 C ATOM 0 H LEU B 45 -11.136 0.827 1.986 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.977 2.294 0.962 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.347 -0.312 0.355 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.196 0.303 -0.815 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.583 -0.230 2.108 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.291 -2.144 1.256 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -9.021 -2.297 0.868 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.867 -1.797 -0.391 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.239 0.084 1.398 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.795 0.492 -0.243 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.207 1.553 1.125 1.00 0.31 H new ATOM 1132 N MET B 46 -11.704 2.349 -0.840 1.00 0.26 N ATOM 1133 CA MET B 46 -12.323 2.938 -2.019 1.00 0.27 C ATOM 1134 C MET B 46 -12.190 4.447 -1.997 1.00 0.26 C ATOM 1135 O MET B 46 -12.047 5.079 -3.046 1.00 0.40 O ATOM 1136 CB MET B 46 -13.803 2.583 -2.124 1.00 0.33 C ATOM 1137 CG MET B 46 -14.094 1.102 -2.245 1.00 0.38 C ATOM 1138 SD MET B 46 -15.815 0.781 -2.684 1.00 0.49 S ATOM 1139 CE MET B 46 -16.671 1.872 -1.545 1.00 0.49 C ATOM 0 H MET B 46 -12.350 1.859 -0.221 1.00 0.26 H new ATOM 0 HA MET B 46 -11.800 2.528 -2.883 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.318 2.969 -1.245 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.224 3.094 -2.990 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.440 0.665 -3.000 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.863 0.609 -1.300 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.658 1.466 -1.325 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.099 1.955 -0.621 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.777 2.859 -1.996 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.212 5.031 -0.806 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.173 6.475 -0.672 1.00 0.30 C ATOM 1151 C ASN B 47 -10.738 6.962 -0.788 1.00 0.26 C ATOM 1152 O ASN B 47 -10.483 8.050 -1.298 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.762 6.889 0.684 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.790 8.396 0.901 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.034 9.155 -0.155 1.00 1.60 O flip ATOM 1156 ND2 ASN B 47 -12.629 8.873 2.025 1.00 1.43 N flip ATOM 0 H ASN B 47 -12.257 4.525 0.078 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.767 6.926 -1.467 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.777 6.500 0.764 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.179 6.426 1.481 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -12.442 8.259 2.818 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -12.682 9.882 2.163 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.799 6.121 -0.367 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.389 6.487 -0.367 1.00 0.25 C ATOM 1165 C ASP B 48 -7.854 6.495 -1.794 1.00 0.25 C ATOM 1166 O ASP B 48 -7.228 7.462 -2.232 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.567 5.504 0.482 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.749 5.674 1.983 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.451 6.613 2.408 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.171 4.869 2.749 1.00 0.74 O ATOM 0 H ASP B 48 -9.990 5.181 -0.021 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.297 7.483 0.065 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.842 4.486 0.207 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.511 5.626 0.239 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.129 5.411 -2.521 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.690 5.267 -3.906 1.00 0.27 C ATOM 1177 C LYS B 49 -8.264 6.380 -4.777 1.00 0.33 C ATOM 1178 O LYS B 49 -7.621 6.841 -5.718 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.124 3.902 -4.456 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.133 3.277 -5.434 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.045 4.041 -6.745 1.00 0.92 C ATOM 1182 CE LYS B 49 -8.299 3.871 -7.586 1.00 1.45 C ATOM 1183 NZ LYS B 49 -8.151 4.496 -8.926 1.00 2.10 N ATOM 0 H LYS B 49 -8.659 4.614 -2.168 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.602 5.337 -3.928 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.274 3.218 -3.621 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.087 4.013 -4.954 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.146 3.240 -4.972 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.428 2.248 -5.637 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -6.887 5.100 -6.538 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.180 3.694 -7.310 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -8.518 2.810 -7.702 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -9.148 4.317 -7.068 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -9.026 4.360 -9.471 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -7.966 5.514 -8.816 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -7.357 4.053 -9.430 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.456 6.842 -4.436 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.125 7.839 -5.251 1.00 0.37 C ATOM 1199 C LYS B 50 -9.664 9.228 -4.836 1.00 0.39 C ATOM 1200 O LYS B 50 -9.487 10.107 -5.676 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.649 7.718 -5.136 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.404 8.605 -6.120 1.00 1.14 C ATOM 1203 CD LYS B 50 -13.899 8.310 -6.123 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.561 8.699 -4.810 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.539 10.170 -4.585 1.00 3.05 N ATOM 0 H LYS B 50 -9.975 6.546 -3.609 1.00 0.30 H new ATOM 0 HA LYS B 50 -9.861 7.670 -6.295 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -11.937 6.680 -5.300 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -11.951 7.976 -4.121 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.241 9.652 -5.863 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.003 8.457 -7.123 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.373 8.851 -6.942 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.058 7.248 -6.308 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -15.593 8.348 -4.807 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.052 8.199 -3.986 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -15.169 10.410 -3.793 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -13.570 10.472 -4.359 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -14.862 10.658 -5.445 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.452 9.415 -3.536 1.00 0.38 N ATOM 1220 CA LEU B 51 -8.933 10.672 -3.022 1.00 0.44 C ATOM 1221 C LEU B 51 -7.551 10.942 -3.605 1.00 0.43 C ATOM 1222 O LEU B 51 -7.256 12.063 -4.014 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.889 10.641 -1.487 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.940 12.006 -0.788 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.337 11.834 0.667 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.600 12.720 -0.873 1.00 1.22 C ATOM 0 H LEU B 51 -9.633 8.710 -2.822 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.596 11.483 -3.324 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -9.726 10.040 -1.131 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -7.976 10.131 -1.179 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.686 12.615 -1.299 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.370 12.809 1.153 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.320 11.367 0.723 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.606 11.202 1.171 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.669 13.684 -0.369 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -6.833 12.113 -0.392 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.336 12.876 -1.919 1.00 1.22 H new ATOM 1238 N MET B 52 -6.717 9.907 -3.691 1.00 0.39 N ATOM 1239 CA MET B 52 -5.388 10.061 -4.267 1.00 0.37 C ATOM 1240 C MET B 52 -5.492 10.310 -5.767 1.00 0.41 C ATOM 1241 O MET B 52 -4.689 11.037 -6.348 1.00 0.47 O ATOM 1242 CB MET B 52 -4.529 8.821 -3.996 1.00 0.33 C ATOM 1243 CG MET B 52 -4.149 8.641 -2.546 1.00 1.29 C ATOM 1244 SD MET B 52 -3.082 7.219 -2.277 1.00 1.25 S ATOM 1245 CE MET B 52 -4.169 5.881 -2.744 1.00 0.32 C ATOM 0 H MET B 52 -6.937 8.963 -3.372 1.00 0.39 H new ATOM 0 HA MET B 52 -4.908 10.919 -3.797 1.00 0.37 H new ATOM 0 HB2 MET B 52 -5.070 7.936 -4.331 1.00 0.33 H new ATOM 0 HB3 MET B 52 -3.620 8.884 -4.594 1.00 0.33 H new ATOM 0 HG2 MET B 52 -3.644 9.540 -2.193 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.054 8.528 -1.949 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.604 4.950 -2.784 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.969 5.789 -2.009 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.599 6.087 -3.724 1.00 0.32 H new ATOM 1255 N SER B 53 -6.508 9.720 -6.380 1.00 0.41 N ATOM 1256 CA SER B 53 -6.740 9.870 -7.808 1.00 0.47 C ATOM 1257 C SER B 53 -7.209 11.290 -8.139 1.00 0.51 C ATOM 1258 O SER B 53 -7.060 11.754 -9.270 1.00 0.62 O ATOM 1259 CB SER B 53 -7.776 8.844 -8.276 1.00 0.52 C ATOM 1260 OG SER B 53 -7.898 8.828 -9.688 1.00 1.15 O ATOM 0 H SER B 53 -7.190 9.128 -5.905 1.00 0.41 H new ATOM 0 HA SER B 53 -5.801 9.694 -8.333 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.491 7.853 -7.924 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.743 9.074 -7.830 1.00 0.52 H new ATOM 0 HG SER B 53 -8.566 8.161 -9.951 1.00 1.15 H new ATOM 1266 N SER B 54 -7.765 11.978 -7.150 1.00 0.49 N ATOM 1267 CA SER B 54 -8.232 13.343 -7.347 1.00 0.54 C ATOM 1268 C SER B 54 -7.162 14.347 -6.932 1.00 0.53 C ATOM 1269 O SER B 54 -7.373 15.558 -6.968 1.00 0.53 O ATOM 1270 CB SER B 54 -9.525 13.573 -6.564 1.00 0.60 C ATOM 1271 OG SER B 54 -9.371 13.249 -5.190 1.00 1.30 O ATOM 0 H SER B 54 -7.903 11.614 -6.207 1.00 0.49 H new ATOM 0 HA SER B 54 -8.436 13.491 -8.407 1.00 0.54 H new ATOM 0 HB2 SER B 54 -9.828 14.615 -6.660 1.00 0.60 H new ATOM 0 HB3 SER B 54 -10.323 12.968 -6.994 1.00 0.60 H new ATOM 0 HG SER B 54 -8.432 13.033 -5.008 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.013 13.826 -6.533 1.00 0.55 N ATOM 1278 CA LEU B 55 -4.891 14.660 -6.135 1.00 0.57 C ATOM 1279 C LEU B 55 -3.853 14.721 -7.248 1.00 0.65 C ATOM 1280 O LEU B 55 -3.209 13.718 -7.561 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.247 14.126 -4.853 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.115 14.193 -3.595 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.362 13.617 -2.405 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.545 15.625 -3.312 1.00 0.65 C ATOM 0 H LEU B 55 -5.833 12.824 -6.476 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.267 15.665 -5.945 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -3.959 13.088 -5.018 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.330 14.685 -4.669 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.012 13.596 -3.763 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -4.991 13.671 -1.516 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.105 12.577 -2.606 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.450 14.190 -2.239 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.161 15.649 -2.413 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -4.662 16.247 -3.164 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.120 16.006 -4.156 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.670 15.900 -7.861 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.696 16.088 -8.938 1.00 0.95 C ATOM 1298 C PRO B 56 -1.274 16.180 -8.396 1.00 0.88 C ATOM 1299 O PRO B 56 -0.297 16.106 -9.142 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.126 17.409 -9.572 1.00 1.14 C ATOM 1301 CG PRO B 56 -3.767 18.169 -8.464 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.398 17.147 -7.553 1.00 0.98 C ATOM 0 HA PRO B 56 -2.681 15.257 -9.643 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.272 17.949 -9.980 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.822 17.245 -10.395 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -3.030 18.766 -7.926 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.517 18.860 -8.850 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.289 17.425 -6.505 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.466 17.045 -7.746 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.176 16.330 -7.083 1.00 0.63 N ATOM 1311 CA ASN B 57 0.112 16.389 -6.410 1.00 0.62 C ATOM 1312 C ASN B 57 0.537 14.990 -5.996 1.00 0.57 C ATOM 1313 O ASN B 57 1.725 14.715 -5.818 1.00 0.59 O ATOM 1314 CB ASN B 57 0.059 17.306 -5.181 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.915 16.823 -4.118 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -1.956 16.243 -4.426 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -0.576 17.053 -2.860 1.00 1.73 N ATOM 0 H ASN B 57 -1.979 16.413 -6.460 1.00 0.63 H new ATOM 0 HA ASN B 57 0.842 16.803 -7.106 1.00 0.62 H new ATOM 0 HB2 ASN B 57 1.056 17.378 -4.746 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.225 18.310 -5.496 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.187 16.746 -2.103 1.00 1.73 H new ATOM 0 HD22 ASN B 57 0.296 17.537 -2.647 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.455 14.110 -5.859 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.227 12.725 -5.472 1.00 0.70 C ATOM 1326 C PHE B 58 0.709 12.039 -6.449 1.00 0.90 C ATOM 1327 O PHE B 58 1.660 11.367 -6.041 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.554 11.973 -5.401 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.400 10.492 -5.242 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -0.929 9.959 -4.057 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.729 9.635 -6.278 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.790 8.596 -3.906 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.592 8.271 -6.132 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.121 7.752 -4.943 1.00 0.69 C ATOM 0 H PHE B 58 -1.436 14.341 -6.014 1.00 0.62 H new ATOM 0 HA PHE B 58 0.239 12.718 -4.487 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.137 12.360 -4.565 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.124 12.175 -6.308 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.667 10.617 -3.241 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -2.097 10.039 -7.210 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.422 8.190 -2.975 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.853 7.610 -6.946 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.012 6.684 -4.826 1.00 0.69 H new ATOM 1344 N SER B 59 0.423 12.204 -7.732 1.00 0.91 N ATOM 1345 CA SER B 59 1.284 11.701 -8.787 1.00 1.02 C ATOM 1346 C SER B 59 2.618 12.451 -8.796 1.00 1.10 C ATOM 1347 O SER B 59 2.888 13.264 -9.681 1.00 1.84 O ATOM 1348 CB SER B 59 0.575 11.851 -10.132 1.00 1.21 C ATOM 1349 OG SER B 59 -0.733 11.295 -10.075 1.00 1.84 O ATOM 0 H SER B 59 -0.409 12.689 -8.068 1.00 0.91 H new ATOM 0 HA SER B 59 1.493 10.647 -8.607 1.00 1.02 H new ATOM 0 HB2 SER B 59 0.516 12.905 -10.402 1.00 1.21 H new ATOM 0 HB3 SER B 59 1.153 11.354 -10.911 1.00 1.21 H new ATOM 0 HG SER B 59 -1.172 11.402 -10.945 1.00 1.84 H new ATOM 1355 N GLY B 60 3.431 12.182 -7.788 1.00 0.91 N ATOM 1356 CA GLY B 60 4.717 12.823 -7.664 1.00 0.88 C ATOM 1357 C GLY B 60 5.257 12.727 -6.255 1.00 0.67 C ATOM 1358 O GLY B 60 6.453 12.506 -6.055 1.00 0.74 O ATOM 0 H GLY B 60 3.216 11.519 -7.043 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.422 12.362 -8.356 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.630 13.871 -7.950 1.00 0.88 H new ATOM 1362 N ILE B 61 4.380 12.891 -5.266 1.00 0.51 N ATOM 1363 CA ILE B 61 4.801 12.821 -3.873 1.00 0.54 C ATOM 1364 C ILE B 61 5.030 11.385 -3.416 1.00 0.73 C ATOM 1365 O ILE B 61 5.929 11.137 -2.618 1.00 1.81 O ATOM 1366 CB ILE B 61 3.820 13.528 -2.902 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.364 13.144 -3.189 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.003 15.036 -2.970 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.360 13.904 -2.343 1.00 0.79 C ATOM 0 H ILE B 61 3.385 13.071 -5.403 1.00 0.51 H new ATOM 0 HA ILE B 61 5.748 13.359 -3.836 1.00 0.54 H new ATOM 0 HB ILE B 61 4.052 13.192 -1.891 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.150 13.324 -4.242 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.238 12.075 -3.016 1.00 0.64 H new ATOM 0 HG21 ILE B 61 3.308 15.518 -2.283 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.025 15.291 -2.690 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.808 15.381 -3.985 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.351 13.582 -2.599 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.548 13.704 -1.288 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.459 14.973 -2.533 1.00 0.79 H new ATOM 1381 N PHE B 62 4.245 10.432 -3.915 1.00 0.58 N ATOM 1382 CA PHE B 62 4.417 9.039 -3.518 1.00 0.50 C ATOM 1383 C PHE B 62 4.499 8.159 -4.757 1.00 0.51 C ATOM 1384 O PHE B 62 3.709 8.313 -5.692 1.00 0.76 O ATOM 1385 CB PHE B 62 3.245 8.564 -2.658 1.00 0.50 C ATOM 1386 CG PHE B 62 2.767 9.561 -1.645 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.630 10.114 -0.716 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.440 9.937 -1.622 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.175 11.022 0.213 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.978 10.842 -0.698 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.846 11.386 0.224 1.00 0.59 C ATOM 0 H PHE B 62 3.494 10.597 -4.586 1.00 0.58 H new ATOM 0 HA PHE B 62 5.337 8.966 -2.938 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.413 8.304 -3.313 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.539 7.652 -2.139 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.672 9.830 -0.720 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.754 9.514 -2.341 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.859 11.449 0.932 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.064 11.127 -0.694 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.485 12.096 0.954 1.00 0.59 H new ATOM 1401 N THR B 63 5.452 7.242 -4.766 1.00 0.35 N ATOM 1402 CA THR B 63 5.674 6.391 -5.921 1.00 0.38 C ATOM 1403 C THR B 63 4.890 5.074 -5.827 1.00 0.30 C ATOM 1404 O THR B 63 4.156 4.709 -6.744 1.00 0.38 O ATOM 1405 CB THR B 63 7.177 6.091 -6.083 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.929 7.305 -5.940 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.466 5.476 -7.446 1.00 0.66 C ATOM 0 H THR B 63 6.085 7.068 -3.985 1.00 0.35 H new ATOM 0 HA THR B 63 5.312 6.933 -6.795 1.00 0.38 H new ATOM 0 HB THR B 63 7.469 5.379 -5.311 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.884 7.112 -6.042 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.533 5.274 -7.535 1.00 0.66 H new ATOM 0 HG22 THR B 63 6.910 4.544 -7.550 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.161 6.169 -8.230 1.00 0.66 H new ATOM 1415 N HIS B 64 5.038 4.372 -4.709 1.00 0.26 N ATOM 1416 CA HIS B 64 4.517 3.006 -4.587 1.00 0.25 C ATOM 1417 C HIS B 64 3.113 2.964 -3.997 1.00 0.25 C ATOM 1418 O HIS B 64 2.408 1.964 -4.134 1.00 0.54 O ATOM 1419 CB HIS B 64 5.455 2.145 -3.739 1.00 0.34 C ATOM 1420 CG HIS B 64 6.748 1.825 -4.417 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.522 0.735 -4.094 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.405 2.470 -5.403 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.600 0.727 -4.856 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.551 1.769 -5.658 1.00 0.68 N ATOM 0 H HIS B 64 5.511 4.720 -3.875 1.00 0.26 H new ATOM 0 HA HIS B 64 4.462 2.604 -5.599 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.663 2.663 -2.803 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.948 1.215 -3.483 1.00 0.34 H new ATOM 0 HD2 HIS B 64 7.085 3.374 -5.900 1.00 0.71 H new ATOM 0 HE1 HIS B 64 9.389 -0.010 -4.826 1.00 0.83 H new ATOM 0 HE2 HIS B 64 9.253 2.014 -6.356 1.00 0.68 H new ATOM 1433 N LEU B 65 2.713 4.051 -3.354 1.00 0.32 N ATOM 1434 CA LEU B 65 1.459 4.096 -2.600 1.00 0.22 C ATOM 1435 C LEU B 65 0.247 3.814 -3.497 1.00 0.21 C ATOM 1436 O LEU B 65 -0.660 3.072 -3.114 1.00 0.24 O ATOM 1437 CB LEU B 65 1.321 5.459 -1.899 1.00 0.29 C ATOM 1438 CG LEU B 65 2.114 5.626 -0.584 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.490 4.815 0.534 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.567 5.223 -0.761 1.00 0.99 C ATOM 0 H LEU B 65 3.241 4.924 -3.337 1.00 0.32 H new ATOM 0 HA LEU B 65 1.486 3.310 -1.845 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.639 6.237 -2.593 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.266 5.632 -1.688 1.00 0.29 H new ATOM 0 HG LEU B 65 2.077 6.682 -0.316 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.068 4.951 1.448 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.466 5.150 0.699 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.487 3.760 0.260 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.098 5.352 0.182 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.620 4.178 -1.067 1.00 0.99 H new ATOM 0 HD23 LEU B 65 4.028 5.849 -1.525 1.00 0.99 H new ATOM 1452 N GLU B 66 0.257 4.380 -4.699 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.838 4.194 -5.649 1.00 0.40 C ATOM 1454 C GLU B 66 -1.025 2.718 -5.991 1.00 0.38 C ATOM 1455 O GLU B 66 -2.133 2.181 -5.902 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.564 4.977 -6.934 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.689 4.887 -7.954 1.00 0.88 C ATOM 1458 CD GLU B 66 -1.328 5.526 -9.276 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -0.678 4.855 -10.108 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.695 6.699 -9.497 1.00 1.75 O ATOM 0 H GLU B 66 1.013 4.973 -5.041 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.750 4.565 -5.180 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.396 6.024 -6.683 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.356 4.606 -7.386 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.943 3.840 -8.118 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.579 5.371 -7.552 1.00 0.88 H new ATOM 1467 N ARG B 67 0.071 2.066 -6.364 1.00 0.42 N ATOM 1468 CA ARG B 67 0.021 0.683 -6.818 1.00 0.44 C ATOM 1469 C ARG B 67 -0.447 -0.240 -5.700 1.00 0.39 C ATOM 1470 O ARG B 67 -1.140 -1.229 -5.947 1.00 0.40 O ATOM 1471 CB ARG B 67 1.394 0.228 -7.306 1.00 0.54 C ATOM 1472 CG ARG B 67 1.328 -0.947 -8.263 1.00 0.74 C ATOM 1473 CD ARG B 67 2.599 -1.769 -8.234 1.00 0.86 C ATOM 1474 NE ARG B 67 2.554 -2.762 -7.165 1.00 1.08 N ATOM 1475 CZ ARG B 67 3.289 -2.717 -6.065 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.176 -1.751 -5.893 1.00 1.71 N ATOM 1477 NH2 ARG B 67 3.140 -3.649 -5.132 1.00 2.07 N ATOM 0 H ARG B 67 1.006 2.475 -6.360 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.690 0.631 -7.642 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.892 1.063 -7.799 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.006 -0.046 -6.446 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.480 -1.580 -8.003 1.00 0.74 H new ATOM 0 HG3 ARG B 67 1.155 -0.582 -9.275 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.736 -2.268 -9.193 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.458 -1.113 -8.090 1.00 0.86 H new ATOM 0 HE ARG B 67 1.911 -3.546 -7.273 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.296 -1.036 -6.610 1.00 1.71 H new ATOM 0 HH12 ARG B 67 4.740 -1.721 -5.043 1.00 1.71 H new ATOM 0 HH21 ARG B 67 2.460 -4.398 -5.263 1.00 2.07 H new ATOM 0 HH22 ARG B 67 3.705 -3.616 -4.284 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.082 0.099 -4.469 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.406 -0.733 -3.319 1.00 0.34 C ATOM 1493 C LEU B 68 -1.907 -0.797 -3.059 1.00 0.31 C ATOM 1494 O LEU B 68 -2.383 -1.730 -2.430 1.00 0.41 O ATOM 1495 CB LEU B 68 0.337 -0.250 -2.072 1.00 0.33 C ATOM 1496 CG LEU B 68 1.788 -0.722 -1.958 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.393 -0.262 -0.644 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.871 -2.236 -2.078 1.00 0.62 C ATOM 0 H LEU B 68 0.439 0.946 -4.243 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.075 -1.745 -3.553 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.324 0.840 -2.059 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.208 -0.586 -1.190 1.00 0.33 H new ATOM 0 HG LEU B 68 2.357 -0.281 -2.776 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.425 -0.606 -0.579 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.369 0.827 -0.594 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.819 -0.676 0.185 1.00 0.37 H new ATOM 0 HD21 LEU B 68 2.911 -2.551 -1.994 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.287 -2.697 -1.281 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.474 -2.547 -3.045 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.659 0.162 -3.579 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.113 0.104 -3.442 1.00 0.24 C ATOM 1512 C LEU B 69 -4.698 -0.762 -4.557 1.00 0.25 C ATOM 1513 O LEU B 69 -5.626 -1.559 -4.350 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.762 1.496 -3.468 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.782 2.265 -2.136 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.164 2.829 -1.870 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.354 1.382 -0.980 1.00 0.30 C ATOM 0 H LEU B 69 -2.302 0.971 -4.087 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.332 -0.335 -2.469 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.238 2.104 -4.206 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.789 1.388 -3.816 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.070 3.086 -2.219 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.160 3.370 -0.924 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.441 3.509 -2.676 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.886 2.014 -1.819 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.379 1.957 -0.054 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.034 0.534 -0.899 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.341 1.020 -1.154 1.00 0.30 H new ATOM 1529 N ASP B 70 -4.097 -0.670 -5.730 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.632 -1.370 -6.881 1.00 0.35 C ATOM 1531 C ASP B 70 -4.436 -2.865 -6.692 1.00 0.38 C ATOM 1532 O ASP B 70 -5.167 -3.668 -7.253 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.983 -0.893 -8.180 1.00 0.43 C ATOM 1534 CG ASP B 70 -4.569 -1.579 -9.403 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -3.806 -2.213 -10.156 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -5.800 -1.492 -9.611 1.00 1.56 O ATOM 0 H ASP B 70 -3.252 -0.127 -5.908 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.697 -1.152 -6.960 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -4.113 0.185 -8.274 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.910 -1.083 -8.139 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.455 -3.234 -5.878 1.00 0.42 N ATOM 1542 CA GLU B 71 -3.256 -4.630 -5.526 1.00 0.50 C ATOM 1543 C GLU B 71 -4.040 -4.989 -4.267 1.00 0.46 C ATOM 1544 O GLU B 71 -4.694 -6.024 -4.227 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.770 -4.927 -5.333 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.929 -4.505 -6.525 1.00 0.94 C ATOM 1547 CD GLU B 71 0.502 -4.990 -6.456 1.00 1.47 C ATOM 1548 OE1 GLU B 71 0.964 -5.368 -5.361 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.180 -4.970 -7.503 1.00 2.18 O ATOM 0 H GLU B 71 -2.789 -2.589 -5.452 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.628 -5.244 -6.346 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.413 -4.412 -4.441 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.637 -5.995 -5.159 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -1.389 -4.885 -7.437 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -0.933 -3.417 -6.595 1.00 0.94 H new ATOM 1556 N GLU B 72 -4.004 -4.117 -3.254 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.693 -4.384 -1.987 1.00 0.45 C ATOM 1558 C GLU B 72 -6.199 -4.426 -2.204 1.00 0.42 C ATOM 1559 O GLU B 72 -6.875 -5.357 -1.784 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.361 -3.316 -0.942 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.988 -3.581 0.420 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.325 -4.725 1.162 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -3.970 -5.733 0.522 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.177 -4.624 2.396 1.00 1.33 O ATOM 0 H GLU B 72 -3.509 -3.226 -3.286 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.349 -5.351 -1.620 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.279 -3.254 -0.829 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.699 -2.346 -1.306 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.925 -2.677 1.026 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -6.047 -3.804 0.290 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.699 -3.430 -2.912 1.00 0.35 N ATOM 1572 CA ILE B 73 -8.122 -3.318 -3.182 1.00 0.35 C ATOM 1573 C ILE B 73 -8.566 -4.492 -4.025 1.00 0.40 C ATOM 1574 O ILE B 73 -9.624 -5.073 -3.791 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.465 -1.991 -3.893 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.351 -0.840 -2.900 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.855 -2.030 -4.518 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.674 0.509 -3.491 1.00 0.27 C ATOM 0 H ILE B 73 -6.136 -2.681 -3.314 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.653 -3.325 -2.230 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.754 -1.841 -4.705 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -9.021 -1.029 -2.061 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.338 -0.817 -2.499 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -10.060 -1.079 -5.009 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.901 -2.834 -5.252 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.599 -2.205 -3.741 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.571 1.276 -2.724 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.988 0.721 -4.311 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.697 0.506 -3.866 1.00 0.27 H new ATOM 1590 N SER B 74 -7.731 -4.869 -4.980 1.00 0.41 N ATOM 1591 CA SER B 74 -8.051 -6.019 -5.828 1.00 0.49 C ATOM 1592 C SER B 74 -8.046 -7.330 -5.023 1.00 0.54 C ATOM 1593 O SER B 74 -8.979 -8.129 -5.116 1.00 0.60 O ATOM 1594 CB SER B 74 -7.087 -6.123 -7.009 1.00 0.52 C ATOM 1595 OG SER B 74 -7.220 -5.009 -7.876 1.00 1.34 O ATOM 0 H SER B 74 -6.844 -4.411 -5.189 1.00 0.41 H new ATOM 0 HA SER B 74 -9.057 -5.860 -6.217 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.062 -6.182 -6.642 1.00 0.52 H new ATOM 0 HB3 SER B 74 -7.281 -7.043 -7.561 1.00 0.52 H new ATOM 0 HG SER B 74 -6.342 -4.595 -8.014 1.00 1.34 H new ATOM 1601 N ARG B 75 -7.029 -7.516 -4.190 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.873 -8.780 -3.468 1.00 0.63 C ATOM 1603 C ARG B 75 -7.930 -8.903 -2.379 1.00 0.65 C ATOM 1604 O ARG B 75 -8.461 -9.985 -2.145 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.473 -8.956 -2.865 1.00 0.74 C ATOM 1606 CG ARG B 75 -5.072 -7.875 -1.883 1.00 0.76 C ATOM 1607 CD ARG B 75 -4.025 -8.368 -0.901 1.00 1.26 C ATOM 1608 NE ARG B 75 -4.582 -9.324 0.059 1.00 1.84 N ATOM 1609 CZ ARG B 75 -4.653 -9.104 1.376 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -4.277 -7.938 1.889 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -5.145 -10.037 2.178 1.00 3.67 N ATOM 0 H ARG B 75 -6.308 -6.821 -3.997 1.00 0.56 H new ATOM 0 HA ARG B 75 -7.006 -9.576 -4.201 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.427 -9.922 -2.362 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.743 -8.983 -3.674 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.683 -7.015 -2.428 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.952 -7.535 -1.337 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.207 -8.838 -1.448 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.603 -7.519 -0.364 1.00 1.26 H new ATOM 0 HE ARG B 75 -4.937 -10.211 -0.299 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -3.930 -7.200 1.277 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -4.335 -7.781 2.895 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -5.470 -10.923 1.791 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -5.199 -9.869 3.183 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.247 -7.783 -1.740 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.270 -7.740 -0.701 1.00 0.67 C ATOM 1627 C VAL B 76 -10.630 -8.175 -1.251 1.00 0.71 C ATOM 1628 O VAL B 76 -11.445 -8.743 -0.529 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.362 -6.321 -0.080 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.650 -6.127 0.704 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.166 -6.062 0.824 1.00 0.59 C ATOM 0 H VAL B 76 -7.805 -6.883 -1.926 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.982 -8.441 0.082 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.360 -5.606 -0.903 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.674 -5.120 1.122 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.504 -6.265 0.041 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.697 -6.857 1.513 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.244 -5.063 1.253 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.149 -6.801 1.625 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.247 -6.137 0.242 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.845 -7.957 -2.543 1.00 0.66 N ATOM 1642 CA ARG B 77 -12.115 -8.299 -3.171 1.00 0.73 C ATOM 1643 C ARG B 77 -12.331 -9.809 -3.177 1.00 0.87 C ATOM 1644 O ARG B 77 -13.442 -10.283 -2.942 1.00 0.98 O ATOM 1645 CB ARG B 77 -12.177 -7.759 -4.598 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.245 -6.244 -4.681 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.191 -5.775 -6.125 1.00 0.84 C ATOM 1648 NE ARG B 77 -12.247 -4.320 -6.248 1.00 1.38 N ATOM 1649 CZ ARG B 77 -11.972 -3.662 -7.373 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -11.608 -4.331 -8.460 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -12.056 -2.340 -7.410 1.00 2.73 N ATOM 0 H ARG B 77 -10.158 -7.546 -3.175 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.910 -7.836 -2.586 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.299 -8.104 -5.145 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -13.050 -8.180 -5.098 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.165 -5.892 -4.215 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.417 -5.808 -4.122 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.273 -6.139 -6.587 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -13.022 -6.214 -6.677 1.00 0.84 H new ATOM 0 HE ARG B 77 -12.512 -3.778 -5.426 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.539 -5.348 -8.434 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -11.397 -3.828 -9.322 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -12.332 -1.823 -6.575 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -11.845 -1.840 -8.273 1.00 2.73 H new ATOM 1665 N LYS B 78 -11.266 -10.563 -3.433 1.00 0.90 N ATOM 1666 CA LYS B 78 -11.362 -12.013 -3.476 1.00 1.08 C ATOM 1667 C LYS B 78 -11.135 -12.599 -2.091 1.00 1.12 C ATOM 1668 O LYS B 78 -11.832 -13.523 -1.671 1.00 1.32 O ATOM 1669 CB LYS B 78 -10.323 -12.593 -4.436 1.00 1.13 C ATOM 1670 CG LYS B 78 -10.432 -12.088 -5.861 1.00 1.35 C ATOM 1671 CD LYS B 78 -9.558 -10.865 -6.062 1.00 2.01 C ATOM 1672 CE LYS B 78 -9.768 -10.232 -7.428 1.00 2.67 C ATOM 1673 NZ LYS B 78 -9.442 -11.171 -8.533 1.00 3.44 N ATOM 0 H LYS B 78 -10.332 -10.194 -3.613 1.00 0.90 H new ATOM 0 HA LYS B 78 -12.361 -12.273 -3.825 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.328 -12.361 -4.057 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -10.417 -13.679 -4.441 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -10.133 -12.874 -6.555 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -11.469 -11.841 -6.087 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.777 -10.132 -5.285 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -8.511 -11.146 -5.950 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -10.804 -9.908 -7.522 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -9.146 -9.341 -7.514 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -9.500 -10.670 -9.443 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -8.478 -11.540 -8.402 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -10.119 -11.961 -8.528 1.00 3.44 H new