USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 42 SER OG : rot -81:sc= 1.22 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0.22 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 171:sc= -0.602! (180deg=-1.96!) USER MOD Set 2.2: A 39 SER OG : rot 72:sc= 1.73 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 142:sc= -0.116 (180deg=-0.461) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.0397! C(o=0.04!,f=-6!) USER MOD Single : A 34 LYS NZ :NH3+ -147:sc= 0.876 (180deg=0.301) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 1.12 (180deg=0.486) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.607) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= 1.56 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 5.829 11.510 5.834 1.00 0.00 N ATOM 118 CA ARG A 9 7.075 11.127 5.207 1.00 0.00 C ATOM 119 C ARG A 9 7.136 9.619 4.973 1.00 0.00 C ATOM 120 O ARG A 9 7.518 9.181 3.899 1.00 0.00 O ATOM 121 CB ARG A 9 8.270 11.598 6.038 1.00 0.00 C ATOM 122 CG ARG A 9 9.604 11.519 5.302 1.00 0.00 C ATOM 123 CD ARG A 9 9.591 12.369 4.036 1.00 0.00 C ATOM 124 NE ARG A 9 10.891 12.390 3.364 1.00 0.00 N ATOM 125 CZ ARG A 9 11.097 12.887 2.140 1.00 0.00 C ATOM 126 NH1 ARG A 9 10.089 13.421 1.460 1.00 0.00 N ATOM 127 NH2 ARG A 9 12.312 12.867 1.607 1.00 0.00 N ATOM 0 HA ARG A 9 7.123 11.617 4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.099 12.628 6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.330 10.995 6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.405 11.856 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.818 10.482 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.837 11.983 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.300 13.388 4.289 1.00 0.00 H new ATOM 0 HE ARG A 9 11.692 12.000 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.156 13.452 1.871 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.248 13.800 0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.092 12.472 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.465 13.247 0.673 1.00 0.00 H new ATOM 141 N GLN A 10 6.738 8.834 5.975 1.00 0.00 N ATOM 142 CA GLN A 10 6.748 7.367 5.861 1.00 0.00 C ATOM 143 C GLN A 10 5.897 6.918 4.685 1.00 0.00 C ATOM 144 O GLN A 10 6.290 6.046 3.913 1.00 0.00 O ATOM 145 CB GLN A 10 6.230 6.722 7.161 1.00 0.00 C ATOM 146 CG GLN A 10 5.900 5.224 7.053 1.00 0.00 C ATOM 147 CD GLN A 10 7.106 4.351 6.722 1.00 0.00 C ATOM 148 OE1 GLN A 10 8.239 4.674 7.082 1.00 0.00 O ATOM 149 NE2 GLN A 10 6.861 3.235 6.053 1.00 0.00 N ATOM 0 H GLN A 10 6.405 9.184 6.873 1.00 0.00 H new ATOM 0 HA GLN A 10 7.776 7.045 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.979 6.859 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.335 7.254 7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.467 4.888 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.139 5.083 6.285 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.907 3.006 5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.626 2.604 5.816 1.00 0.00 H new ATOM 158 N VAL A 11 4.751 7.541 4.539 1.00 0.00 N ATOM 159 CA VAL A 11 3.827 7.194 3.489 1.00 0.00 C ATOM 160 C VAL A 11 4.335 7.645 2.116 1.00 0.00 C ATOM 161 O VAL A 11 4.431 6.838 1.193 1.00 0.00 O ATOM 162 CB VAL A 11 2.429 7.789 3.762 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.483 7.497 2.614 1.00 0.00 C ATOM 164 CG2 VAL A 11 1.872 7.238 5.067 1.00 0.00 C ATOM 0 H VAL A 11 4.435 8.300 5.143 1.00 0.00 H new ATOM 0 HA VAL A 11 3.748 6.107 3.478 1.00 0.00 H new ATOM 0 HB VAL A 11 2.526 8.871 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.505 7.926 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.877 7.936 1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.386 6.419 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.886 7.664 5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.792 6.153 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.539 7.502 5.888 1.00 0.00 H new ATOM 174 N CYS A 12 4.684 8.919 1.993 1.00 0.00 N ATOM 175 CA CYS A 12 5.141 9.449 0.714 1.00 0.00 C ATOM 176 C CYS A 12 6.471 8.821 0.287 1.00 0.00 C ATOM 177 O CYS A 12 6.630 8.430 -0.866 1.00 0.00 O ATOM 178 CB CYS A 12 5.254 10.977 0.756 1.00 0.00 C ATOM 179 SG CYS A 12 5.520 11.753 -0.882 1.00 0.00 S ATOM 0 H CYS A 12 4.660 9.598 2.753 1.00 0.00 H new ATOM 0 HA CYS A 12 4.392 9.183 -0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.345 11.386 1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.078 11.252 1.414 1.00 0.00 H new ATOM 184 N TRP A 13 7.420 8.704 1.222 1.00 0.00 N ATOM 185 CA TRP A 13 8.722 8.114 0.909 1.00 0.00 C ATOM 186 C TRP A 13 8.569 6.634 0.602 1.00 0.00 C ATOM 187 O TRP A 13 9.222 6.108 -0.305 1.00 0.00 O ATOM 188 CB TRP A 13 9.723 8.321 2.056 1.00 0.00 C ATOM 189 CG TRP A 13 11.090 7.779 1.756 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.602 6.574 2.148 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.117 8.421 0.991 1.00 0.00 C ATOM 192 NE1 TRP A 13 12.882 6.429 1.672 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.220 7.549 0.960 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.208 9.648 0.328 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.401 7.865 0.292 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.380 9.959 -0.333 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.462 9.072 -0.346 1.00 0.00 C ATOM 0 H TRP A 13 7.312 9.007 2.190 1.00 0.00 H new ATOM 0 HA TRP A 13 9.116 8.621 0.028 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.802 9.386 2.272 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.339 7.840 2.956 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.077 5.843 2.745 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.483 5.619 1.824 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.378 10.339 0.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.237 7.182 0.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.463 10.904 -0.849 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.365 9.347 -0.871 1.00 0.00 H new ATOM 208 N GLY A 14 7.698 5.968 1.351 1.00 0.00 N ATOM 209 CA GLY A 14 7.436 4.569 1.105 1.00 0.00 C ATOM 210 C GLY A 14 6.869 4.360 -0.279 1.00 0.00 C ATOM 211 O GLY A 14 7.204 3.401 -0.954 1.00 0.00 O ATOM 0 H GLY A 14 7.170 6.375 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.358 3.998 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.736 4.190 1.850 1.00 0.00 H new ATOM 215 N ALA A 15 6.037 5.299 -0.707 1.00 0.00 N ATOM 216 CA ALA A 15 5.425 5.259 -2.023 1.00 0.00 C ATOM 217 C ALA A 15 6.483 5.416 -3.096 1.00 0.00 C ATOM 218 O ALA A 15 6.403 4.813 -4.161 1.00 0.00 O ATOM 219 CB ALA A 15 4.396 6.365 -2.149 1.00 0.00 C ATOM 0 H ALA A 15 5.769 6.110 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 15 4.931 4.296 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.942 6.328 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.625 6.232 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.881 7.331 -2.008 1.00 0.00 H new ATOM 225 N ARG A 16 7.479 6.231 -2.795 1.00 0.00 N ATOM 226 CA ARG A 16 8.576 6.481 -3.711 1.00 0.00 C ATOM 227 C ARG A 16 9.396 5.220 -3.905 1.00 0.00 C ATOM 228 O ARG A 16 9.763 4.879 -5.018 1.00 0.00 O ATOM 229 CB ARG A 16 9.477 7.600 -3.181 1.00 0.00 C ATOM 230 CG ARG A 16 8.763 8.916 -2.917 1.00 0.00 C ATOM 231 CD ARG A 16 8.071 9.454 -4.156 1.00 0.00 C ATOM 232 NE ARG A 16 7.314 10.673 -3.856 1.00 0.00 N ATOM 233 CZ ARG A 16 6.563 11.334 -4.736 1.00 0.00 C ATOM 234 NH1 ARG A 16 6.473 10.911 -5.991 1.00 0.00 N ATOM 235 NH2 ARG A 16 5.900 12.421 -4.356 1.00 0.00 N ATOM 0 H ARG A 16 7.549 6.736 -1.912 1.00 0.00 H new ATOM 0 HA ARG A 16 8.156 6.789 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.945 7.264 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.278 7.774 -3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.028 8.775 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.482 9.651 -2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.812 9.664 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.399 8.696 -4.558 1.00 0.00 H new ATOM 0 HE ARG A 16 7.366 11.041 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.980 10.076 -6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.897 11.421 -6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.967 12.748 -3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.325 12.928 -5.028 1.00 0.00 H new ATOM 249 N ASP A 17 9.666 4.524 -2.811 1.00 0.00 N ATOM 250 CA ASP A 17 10.455 3.300 -2.868 1.00 0.00 C ATOM 251 C ASP A 17 9.630 2.156 -3.444 1.00 0.00 C ATOM 252 O ASP A 17 10.142 1.320 -4.190 1.00 0.00 O ATOM 253 CB ASP A 17 10.999 2.933 -1.489 1.00 0.00 C ATOM 254 CG ASP A 17 12.130 1.926 -1.567 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.238 2.304 -2.011 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.933 0.765 -1.176 1.00 0.00 O ATOM 0 H ASP A 17 9.352 4.783 -1.876 1.00 0.00 H new ATOM 0 HA ASP A 17 11.305 3.477 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.352 3.835 -0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.193 2.525 -0.880 1.00 0.00 H new ATOM 261 N GLU A 18 8.340 2.130 -3.103 1.00 0.00 N ATOM 262 CA GLU A 18 7.427 1.125 -3.635 1.00 0.00 C ATOM 263 C GLU A 18 7.205 1.332 -5.128 1.00 0.00 C ATOM 264 O GLU A 18 6.813 0.410 -5.841 1.00 0.00 O ATOM 265 CB GLU A 18 6.091 1.125 -2.885 1.00 0.00 C ATOM 266 CG GLU A 18 6.153 0.436 -1.529 1.00 0.00 C ATOM 267 CD GLU A 18 4.782 0.110 -0.972 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.057 -0.680 -1.612 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.438 0.614 0.118 1.00 0.00 O ATOM 0 H GLU A 18 7.907 2.794 -2.461 1.00 0.00 H new ATOM 0 HA GLU A 18 7.890 0.149 -3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.762 2.155 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.339 0.631 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.731 -0.484 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.683 1.077 -0.825 1.00 0.00 H new ATOM 276 N TYR A 19 7.457 2.551 -5.593 1.00 0.00 N ATOM 277 CA TYR A 19 7.372 2.865 -7.008 1.00 0.00 C ATOM 278 C TYR A 19 8.424 2.057 -7.760 1.00 0.00 C ATOM 279 O TYR A 19 8.231 1.662 -8.909 1.00 0.00 O ATOM 280 CB TYR A 19 7.587 4.366 -7.225 1.00 0.00 C ATOM 281 CG TYR A 19 7.459 4.818 -8.662 1.00 0.00 C ATOM 282 CD1 TYR A 19 6.212 5.021 -9.232 1.00 0.00 C ATOM 283 CD2 TYR A 19 8.585 5.048 -9.444 1.00 0.00 C ATOM 284 CE1 TYR A 19 6.088 5.441 -10.539 1.00 0.00 C ATOM 285 CE2 TYR A 19 8.469 5.467 -10.752 1.00 0.00 C ATOM 286 CZ TYR A 19 7.220 5.663 -11.295 1.00 0.00 C ATOM 287 OH TYR A 19 7.096 6.086 -12.602 1.00 0.00 O ATOM 0 H TYR A 19 7.723 3.340 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 19 6.383 2.605 -7.386 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.865 4.914 -6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.578 4.634 -6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.324 4.847 -8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.567 4.896 -9.020 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.109 5.595 -10.969 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.353 5.640 -11.347 1.00 0.00 H new ATOM 0 HH TYR A 19 7.987 6.197 -12.996 1.00 0.00 H new ATOM 297 N TRP A 20 9.538 1.820 -7.092 1.00 0.00 N ATOM 298 CA TRP A 20 10.601 1.003 -7.632 1.00 0.00 C ATOM 299 C TRP A 20 10.246 -0.460 -7.439 1.00 0.00 C ATOM 300 O TRP A 20 10.178 -1.232 -8.398 1.00 0.00 O ATOM 301 CB TRP A 20 11.928 1.306 -6.929 1.00 0.00 C ATOM 302 CG TRP A 20 12.448 2.694 -7.166 1.00 0.00 C ATOM 303 CD1 TRP A 20 11.791 3.867 -6.952 1.00 0.00 C ATOM 304 CD2 TRP A 20 13.747 3.047 -7.643 1.00 0.00 C ATOM 305 NE1 TRP A 20 12.595 4.925 -7.277 1.00 0.00 N ATOM 306 CE2 TRP A 20 13.803 4.450 -7.700 1.00 0.00 C ATOM 307 CE3 TRP A 20 14.870 2.313 -8.027 1.00 0.00 C ATOM 308 CZ2 TRP A 20 14.933 5.132 -8.126 1.00 0.00 C ATOM 309 CZ3 TRP A 20 15.991 2.992 -8.450 1.00 0.00 C ATOM 310 CH2 TRP A 20 16.016 4.388 -8.497 1.00 0.00 C ATOM 0 H TRP A 20 9.728 2.190 -6.161 1.00 0.00 H new ATOM 0 HA TRP A 20 10.715 1.225 -8.693 1.00 0.00 H new ATOM 0 HB2 TRP A 20 11.801 1.156 -5.857 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.676 0.588 -7.265 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.781 3.950 -6.579 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.334 5.909 -7.214 1.00 0.00 H new ATOM 0 HE3 TRP A 20 14.860 1.234 -7.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 14.955 6.211 -8.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.866 2.435 -8.751 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.911 4.889 -8.834 1.00 0.00 H new ATOM 321 N LYS A 21 9.996 -0.825 -6.193 1.00 0.00 N ATOM 322 CA LYS A 21 9.641 -2.183 -5.846 1.00 0.00 C ATOM 323 C LYS A 21 8.403 -2.184 -4.953 1.00 0.00 C ATOM 324 O LYS A 21 8.467 -1.786 -3.793 1.00 0.00 O ATOM 325 CB LYS A 21 10.817 -2.864 -5.144 1.00 0.00 C ATOM 326 CG LYS A 21 10.596 -4.333 -4.861 1.00 0.00 C ATOM 327 CD LYS A 21 11.853 -4.992 -4.329 1.00 0.00 C ATOM 328 CE LYS A 21 11.641 -6.477 -4.105 1.00 0.00 C ATOM 329 NZ LYS A 21 11.165 -7.164 -5.334 1.00 0.00 N ATOM 0 H LYS A 21 10.034 -0.187 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 21 9.411 -2.740 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.709 -2.753 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.014 -2.349 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.790 -4.448 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.278 -4.837 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.672 -4.841 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.146 -4.518 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.576 -6.931 -3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.916 -6.623 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.609 -8.102 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.131 -7.272 -5.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.421 -6.599 -6.169 1.00 0.00 H new ATOM 343 N CYS A 22 7.277 -2.615 -5.517 1.00 0.00 N ATOM 344 CA CYS A 22 5.998 -2.616 -4.809 1.00 0.00 C ATOM 345 C CYS A 22 6.052 -3.426 -3.524 1.00 0.00 C ATOM 346 O CYS A 22 6.714 -4.476 -3.460 1.00 0.00 O ATOM 347 CB CYS A 22 4.893 -3.189 -5.709 1.00 0.00 C ATOM 348 SG CYS A 22 5.155 -4.940 -6.184 1.00 0.00 S ATOM 0 H CYS A 22 7.224 -2.971 -6.471 1.00 0.00 H new ATOM 0 HA CYS A 22 5.779 -1.580 -4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.937 -3.102 -5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.824 -2.584 -6.613 1.00 0.00 H new ATOM 353 N LEU A 23 5.338 -2.934 -2.515 1.00 0.00 N ATOM 354 CA LEU A 23 5.182 -3.614 -1.245 1.00 0.00 C ATOM 355 C LEU A 23 6.523 -3.994 -0.615 1.00 0.00 C ATOM 356 O LEU A 23 6.706 -5.115 -0.141 1.00 0.00 O ATOM 357 CB LEU A 23 4.299 -4.836 -1.431 1.00 0.00 C ATOM 358 CG LEU A 23 3.952 -5.601 -0.176 1.00 0.00 C ATOM 359 CD1 LEU A 23 3.234 -4.705 0.814 1.00 0.00 C ATOM 360 CD2 LEU A 23 3.112 -6.799 -0.524 1.00 0.00 C ATOM 0 H LEU A 23 4.848 -2.041 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 23 4.705 -2.923 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.371 -4.520 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.796 -5.517 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 23 4.873 -5.946 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.992 -5.275 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.878 -3.866 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.315 -4.329 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.865 -7.347 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.194 -6.470 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.668 -7.449 -1.199 1.00 0.00 H new ATOM 372 N ASP A 24 7.433 -3.047 -0.581 1.00 0.00 N ATOM 373 CA ASP A 24 8.752 -3.258 0.015 1.00 0.00 C ATOM 374 C ASP A 24 8.631 -3.497 1.532 1.00 0.00 C ATOM 375 O ASP A 24 9.558 -3.985 2.178 1.00 0.00 O ATOM 376 CB ASP A 24 9.649 -2.053 -0.267 1.00 0.00 C ATOM 377 CG ASP A 24 11.099 -2.309 0.076 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.798 -2.945 -0.737 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.555 -1.858 1.156 1.00 0.00 O ATOM 0 H ASP A 24 7.291 -2.111 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 24 9.201 -4.145 -0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.571 -1.787 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.291 -1.197 0.305 1.00 0.00 H new ATOM 384 N GLU A 25 7.469 -3.147 2.074 1.00 0.00 N ATOM 385 CA GLU A 25 7.174 -3.282 3.501 1.00 0.00 C ATOM 386 C GLU A 25 7.284 -4.738 3.987 1.00 0.00 C ATOM 387 O GLU A 25 8.098 -5.051 4.851 1.00 0.00 O ATOM 388 CB GLU A 25 5.753 -2.800 3.754 1.00 0.00 C ATOM 389 CG GLU A 25 5.501 -1.377 3.312 1.00 0.00 C ATOM 390 CD GLU A 25 5.987 -0.348 4.309 1.00 0.00 C ATOM 391 OE1 GLU A 25 7.114 -0.478 4.812 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.231 0.604 4.583 1.00 0.00 O ATOM 0 H GLU A 25 6.697 -2.758 1.533 1.00 0.00 H new ATOM 0 HA GLU A 25 7.906 -2.687 4.047 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.058 -3.460 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.536 -2.883 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.995 -1.208 2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.432 -1.238 3.148 1.00 0.00 H new ATOM 399 N ASN A 26 6.457 -5.627 3.415 1.00 0.00 N ATOM 400 CA ASN A 26 6.412 -7.029 3.870 1.00 0.00 C ATOM 401 C ASN A 26 6.607 -8.024 2.736 1.00 0.00 C ATOM 402 O ASN A 26 7.110 -9.123 2.957 1.00 0.00 O ATOM 403 CB ASN A 26 5.064 -7.312 4.542 1.00 0.00 C ATOM 404 CG ASN A 26 4.902 -6.616 5.872 1.00 0.00 C ATOM 405 OD1 ASN A 26 5.196 -7.184 6.919 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.426 -5.382 5.839 1.00 0.00 N ATOM 0 H ASN A 26 5.820 -5.407 2.649 1.00 0.00 H new ATOM 0 HA ASN A 26 7.235 -7.157 4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.261 -6.998 3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.957 -8.387 4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.290 -4.864 6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.195 -4.948 4.945 1.00 0.00 H new ATOM 413 N LEU A 27 6.218 -7.626 1.521 1.00 0.00 N ATOM 414 CA LEU A 27 6.313 -8.492 0.323 1.00 0.00 C ATOM 415 C LEU A 27 5.583 -9.837 0.509 1.00 0.00 C ATOM 416 O LEU A 27 5.794 -10.763 -0.265 1.00 0.00 O ATOM 417 CB LEU A 27 7.781 -8.762 -0.070 1.00 0.00 C ATOM 418 CG LEU A 27 8.647 -7.541 -0.400 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.161 -6.878 0.866 1.00 0.00 C ATOM 420 CD2 LEU A 27 9.798 -7.937 -1.296 1.00 0.00 C ATOM 0 H LEU A 27 5.830 -6.702 1.332 1.00 0.00 H new ATOM 0 HA LEU A 27 5.821 -7.942 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.257 -9.304 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.784 -9.424 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 27 8.026 -6.819 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.772 -6.015 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.317 -6.553 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.763 -7.590 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.403 -7.059 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.413 -8.682 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.409 -8.357 -2.224 1.00 0.00 H new ATOM 432 N GLU A 28 4.710 -9.927 1.509 1.00 0.00 N ATOM 433 CA GLU A 28 4.028 -11.184 1.812 1.00 0.00 C ATOM 434 C GLU A 28 2.947 -11.506 0.775 1.00 0.00 C ATOM 435 O GLU A 28 2.839 -12.641 0.313 1.00 0.00 O ATOM 436 CB GLU A 28 3.426 -11.137 3.213 1.00 0.00 C ATOM 437 CG GLU A 28 2.926 -12.477 3.714 1.00 0.00 C ATOM 438 CD GLU A 28 4.050 -13.459 3.974 1.00 0.00 C ATOM 439 OE1 GLU A 28 4.366 -13.705 5.157 1.00 0.00 O ATOM 440 OE2 GLU A 28 4.621 -13.989 3.004 1.00 0.00 O ATOM 0 H GLU A 28 4.459 -9.150 2.120 1.00 0.00 H new ATOM 0 HA GLU A 28 4.770 -11.981 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.176 -10.758 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.599 -10.427 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.359 -12.328 4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.240 -12.902 2.981 1.00 0.00 H new ATOM 447 N ASP A 29 2.165 -10.509 0.404 1.00 0.00 N ATOM 448 CA ASP A 29 1.141 -10.693 -0.625 1.00 0.00 C ATOM 449 C ASP A 29 1.443 -9.756 -1.759 1.00 0.00 C ATOM 450 O ASP A 29 0.840 -8.689 -1.900 1.00 0.00 O ATOM 451 CB ASP A 29 -0.280 -10.455 -0.085 1.00 0.00 C ATOM 452 CG ASP A 29 -1.374 -10.870 -1.063 1.00 0.00 C ATOM 453 OD1 ASP A 29 -1.647 -10.120 -2.019 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.987 -11.942 -0.855 1.00 0.00 O ATOM 0 H ASP A 29 2.213 -9.567 0.793 1.00 0.00 H new ATOM 0 HA ASP A 29 1.167 -11.728 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.405 -11.009 0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.398 -9.398 0.154 1.00 0.00 H new ATOM 459 N ALA A 30 2.437 -10.123 -2.522 1.00 0.00 N ATOM 460 CA ALA A 30 2.908 -9.310 -3.613 1.00 0.00 C ATOM 461 C ALA A 30 1.904 -9.246 -4.763 1.00 0.00 C ATOM 462 O ALA A 30 2.049 -8.432 -5.675 1.00 0.00 O ATOM 463 CB ALA A 30 4.260 -9.795 -4.102 1.00 0.00 C ATOM 0 H ALA A 30 2.946 -10.999 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 30 3.020 -8.295 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.596 -9.166 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.982 -9.742 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.175 -10.826 -4.444 1.00 0.00 H new ATOM 469 N SER A 31 0.903 -10.103 -4.731 1.00 0.00 N ATOM 470 CA SER A 31 -0.125 -10.093 -5.750 1.00 0.00 C ATOM 471 C SER A 31 -0.908 -8.787 -5.668 1.00 0.00 C ATOM 472 O SER A 31 -1.251 -8.182 -6.686 1.00 0.00 O ATOM 473 CB SER A 31 -1.062 -11.299 -5.580 1.00 0.00 C ATOM 474 OG SER A 31 -2.001 -11.382 -6.645 1.00 0.00 O ATOM 0 H SER A 31 0.780 -10.814 -4.010 1.00 0.00 H new ATOM 0 HA SER A 31 0.342 -10.166 -6.732 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.474 -12.216 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.592 -11.219 -4.631 1.00 0.00 H new ATOM 0 HG SER A 31 -2.582 -12.160 -6.509 1.00 0.00 H new ATOM 480 N GLN A 32 -1.145 -8.337 -4.450 1.00 0.00 N ATOM 481 CA GLN A 32 -1.882 -7.116 -4.212 1.00 0.00 C ATOM 482 C GLN A 32 -0.958 -5.909 -4.106 1.00 0.00 C ATOM 483 O GLN A 32 -1.417 -4.792 -3.873 1.00 0.00 O ATOM 484 CB GLN A 32 -2.744 -7.246 -2.960 1.00 0.00 C ATOM 485 CG GLN A 32 -4.114 -7.857 -3.222 1.00 0.00 C ATOM 486 CD GLN A 32 -4.828 -8.282 -1.952 1.00 0.00 C ATOM 487 OE1 GLN A 32 -6.052 -8.164 -1.847 1.00 0.00 O ATOM 488 NE2 GLN A 32 -4.085 -8.832 -1.011 1.00 0.00 N ATOM 0 H GLN A 32 -0.832 -8.808 -3.601 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.534 -6.953 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -2.217 -7.858 -2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.875 -6.259 -2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.732 -7.134 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.001 -8.722 -3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.076 -8.910 -1.138 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.520 -9.179 -0.156 1.00 0.00 H new ATOM 497 N CYS A 33 0.350 -6.128 -4.298 1.00 0.00 N ATOM 498 CA CYS A 33 1.318 -5.030 -4.214 1.00 0.00 C ATOM 499 C CYS A 33 1.038 -4.007 -5.289 1.00 0.00 C ATOM 500 O CYS A 33 1.310 -2.831 -5.115 1.00 0.00 O ATOM 501 CB CYS A 33 2.761 -5.524 -4.355 1.00 0.00 C ATOM 502 SG CYS A 33 3.308 -5.799 -6.081 1.00 0.00 S ATOM 0 H CYS A 33 0.756 -7.040 -4.509 1.00 0.00 H new ATOM 0 HA CYS A 33 1.208 -4.579 -3.228 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.427 -4.798 -3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.868 -6.457 -3.801 1.00 0.00 H new ATOM 507 N LYS A 34 0.485 -4.468 -6.404 1.00 0.00 N ATOM 508 CA LYS A 34 0.162 -3.594 -7.511 1.00 0.00 C ATOM 509 C LYS A 34 -0.876 -2.573 -7.084 1.00 0.00 C ATOM 510 O LYS A 34 -0.782 -1.403 -7.430 1.00 0.00 O ATOM 511 CB LYS A 34 -0.343 -4.390 -8.727 1.00 0.00 C ATOM 512 CG LYS A 34 0.720 -5.244 -9.425 1.00 0.00 C ATOM 513 CD LYS A 34 1.084 -6.485 -8.622 1.00 0.00 C ATOM 514 CE LYS A 34 2.183 -7.278 -9.305 1.00 0.00 C ATOM 515 NZ LYS A 34 2.539 -8.507 -8.547 1.00 0.00 N ATOM 0 H LYS A 34 0.252 -5.449 -6.560 1.00 0.00 H new ATOM 0 HA LYS A 34 1.074 -3.076 -7.807 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.157 -5.040 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.761 -3.692 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.354 -5.544 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.615 -4.644 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.410 -6.193 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.202 -7.113 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.861 -7.553 -10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.068 -6.651 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.553 -8.707 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.331 -8.365 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.983 -9.309 -8.906 1.00 0.00 H new ATOM 529 N LYS A 35 -1.848 -3.023 -6.307 1.00 0.00 N ATOM 530 CA LYS A 35 -2.890 -2.147 -5.814 1.00 0.00 C ATOM 531 C LYS A 35 -2.343 -1.272 -4.682 1.00 0.00 C ATOM 532 O LYS A 35 -2.502 -0.048 -4.704 1.00 0.00 O ATOM 533 CB LYS A 35 -4.102 -2.976 -5.334 1.00 0.00 C ATOM 534 CG LYS A 35 -5.407 -2.183 -5.188 1.00 0.00 C ATOM 535 CD LYS A 35 -5.331 -1.158 -4.070 1.00 0.00 C ATOM 536 CE LYS A 35 -6.608 -0.358 -3.952 1.00 0.00 C ATOM 537 NZ LYS A 35 -6.512 0.660 -2.877 1.00 0.00 N ATOM 0 H LYS A 35 -1.934 -3.994 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.223 -1.497 -6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.267 -3.793 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.858 -3.427 -4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.631 -1.678 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.229 -2.872 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.131 -1.665 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.495 -0.483 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.821 0.133 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.442 -1.029 -3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.338 1.290 -2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.486 0.186 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.644 1.219 -3.004 1.00 0.00 H new ATOM 551 N LEU A 36 -1.696 -1.911 -3.702 1.00 0.00 N ATOM 552 CA LEU A 36 -1.124 -1.198 -2.553 1.00 0.00 C ATOM 553 C LEU A 36 -0.181 -0.080 -3.026 1.00 0.00 C ATOM 554 O LEU A 36 -0.324 1.079 -2.628 1.00 0.00 O ATOM 555 CB LEU A 36 -0.383 -2.184 -1.620 1.00 0.00 C ATOM 556 CG LEU A 36 -1.248 -3.282 -0.961 1.00 0.00 C ATOM 557 CD1 LEU A 36 -0.387 -4.237 -0.161 1.00 0.00 C ATOM 558 CD2 LEU A 36 -2.305 -2.668 -0.066 1.00 0.00 C ATOM 0 H LEU A 36 -1.555 -2.921 -3.681 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.937 -0.740 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.408 -2.669 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.101 -1.610 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.743 -3.839 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.017 -5.001 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.340 -4.711 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.137 -3.687 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.902 -3.459 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.823 -2.083 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.951 -2.020 -0.658 1.00 0.00 H new ATOM 570 N ARG A 37 0.757 -0.433 -3.906 1.00 0.00 N ATOM 571 CA ARG A 37 1.691 0.539 -4.478 1.00 0.00 C ATOM 572 C ARG A 37 0.944 1.640 -5.237 1.00 0.00 C ATOM 573 O ARG A 37 1.236 2.820 -5.067 1.00 0.00 O ATOM 574 CB ARG A 37 2.673 -0.159 -5.424 1.00 0.00 C ATOM 575 CG ARG A 37 3.453 0.791 -6.317 1.00 0.00 C ATOM 576 CD ARG A 37 4.178 0.042 -7.415 1.00 0.00 C ATOM 577 NE ARG A 37 4.426 0.887 -8.581 1.00 0.00 N ATOM 578 CZ ARG A 37 5.308 0.607 -9.542 1.00 0.00 C ATOM 579 NH1 ARG A 37 6.091 -0.463 -9.442 1.00 0.00 N ATOM 580 NH2 ARG A 37 5.412 1.405 -10.596 1.00 0.00 N ATOM 0 H ARG A 37 0.891 -1.388 -4.239 1.00 0.00 H new ATOM 0 HA ARG A 37 2.242 0.995 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.376 -0.745 -4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.122 -0.860 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.773 1.520 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.173 1.349 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.126 -0.335 -7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.588 -0.824 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 37 3.888 1.750 -8.666 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.019 -1.074 -8.628 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.764 -0.673 -10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.818 2.231 -10.671 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.086 1.193 -11.332 1.00 0.00 H new ATOM 594 N SER A 38 -0.025 1.240 -6.065 1.00 0.00 N ATOM 595 CA SER A 38 -0.799 2.182 -6.875 1.00 0.00 C ATOM 596 C SER A 38 -1.483 3.224 -5.997 1.00 0.00 C ATOM 597 O SER A 38 -1.571 4.401 -6.358 1.00 0.00 O ATOM 598 CB SER A 38 -1.846 1.428 -7.708 1.00 0.00 C ATOM 599 OG SER A 38 -2.484 2.284 -8.639 1.00 0.00 O ATOM 0 H SER A 38 -0.293 0.264 -6.192 1.00 0.00 H new ATOM 0 HA SER A 38 -0.112 2.697 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.367 0.605 -8.238 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.592 0.989 -7.046 1.00 0.00 H new ATOM 0 HG SER A 38 -3.143 1.774 -9.154 1.00 0.00 H new ATOM 605 N SER A 39 -1.944 2.794 -4.840 1.00 0.00 N ATOM 606 CA SER A 39 -2.627 3.676 -3.922 1.00 0.00 C ATOM 607 C SER A 39 -1.644 4.648 -3.275 1.00 0.00 C ATOM 608 O SER A 39 -1.975 5.801 -3.024 1.00 0.00 O ATOM 609 CB SER A 39 -3.348 2.857 -2.862 1.00 0.00 C ATOM 610 OG SER A 39 -4.138 1.842 -3.465 1.00 0.00 O ATOM 0 H SER A 39 -1.856 1.832 -4.514 1.00 0.00 H new ATOM 0 HA SER A 39 -3.361 4.261 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.621 2.406 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.981 3.509 -2.260 1.00 0.00 H new ATOM 0 HG SER A 39 -3.553 1.145 -3.828 1.00 0.00 H new ATOM 616 N PHE A 40 -0.443 4.173 -3.008 1.00 0.00 N ATOM 617 CA PHE A 40 0.590 4.991 -2.409 1.00 0.00 C ATOM 618 C PHE A 40 1.207 5.981 -3.400 1.00 0.00 C ATOM 619 O PHE A 40 1.377 7.154 -3.089 1.00 0.00 O ATOM 620 CB PHE A 40 1.652 4.110 -1.772 1.00 0.00 C ATOM 621 CG PHE A 40 1.361 3.818 -0.335 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.284 3.024 0.021 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.149 4.359 0.665 1.00 0.00 C ATOM 624 CE1 PHE A 40 -0.002 2.778 1.344 1.00 0.00 C ATOM 625 CE2 PHE A 40 1.871 4.112 1.991 1.00 0.00 C ATOM 626 CZ PHE A 40 0.794 3.324 2.332 1.00 0.00 C ATOM 0 H PHE A 40 -0.158 3.213 -3.200 1.00 0.00 H new ATOM 0 HA PHE A 40 0.120 5.594 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.722 3.173 -2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.623 4.600 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.339 2.593 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.991 4.982 0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.847 2.160 1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.497 4.536 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.572 3.133 3.372 1.00 0.00 H new ATOM 636 N GLU A 41 1.514 5.517 -4.594 1.00 0.00 N ATOM 637 CA GLU A 41 2.146 6.368 -5.605 1.00 0.00 C ATOM 638 C GLU A 41 1.130 7.300 -6.251 1.00 0.00 C ATOM 639 O GLU A 41 1.476 8.110 -7.118 1.00 0.00 O ATOM 640 CB GLU A 41 2.835 5.532 -6.682 1.00 0.00 C ATOM 641 CG GLU A 41 1.875 4.733 -7.541 1.00 0.00 C ATOM 642 CD GLU A 41 2.524 4.198 -8.790 1.00 0.00 C ATOM 643 OE1 GLU A 41 2.834 2.999 -8.837 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.712 4.979 -9.747 1.00 0.00 O ATOM 0 H GLU A 41 1.340 4.558 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 41 2.899 6.968 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.419 6.192 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.537 4.848 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.477 3.902 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.029 5.363 -7.817 1.00 0.00 H new ATOM 651 N SER A 42 -0.122 7.158 -5.843 1.00 0.00 N ATOM 652 CA SER A 42 -1.217 7.933 -6.396 1.00 0.00 C ATOM 653 C SER A 42 -0.944 9.423 -6.289 1.00 0.00 C ATOM 654 O SER A 42 -1.239 10.182 -7.209 1.00 0.00 O ATOM 655 CB SER A 42 -2.513 7.596 -5.667 1.00 0.00 C ATOM 656 OG SER A 42 -2.454 8.002 -4.308 1.00 0.00 O ATOM 0 H SER A 42 -0.406 6.500 -5.117 1.00 0.00 H new ATOM 0 HA SER A 42 -1.313 7.676 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.351 8.088 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.697 6.523 -5.722 1.00 0.00 H new ATOM 0 HG SER A 42 -1.961 7.334 -3.788 1.00 0.00 H new ATOM 662 N SER A 43 -0.364 9.831 -5.174 1.00 0.00 N ATOM 663 CA SER A 43 -0.087 11.226 -4.945 1.00 0.00 C ATOM 664 C SER A 43 1.173 11.427 -4.091 1.00 0.00 C ATOM 665 O SER A 43 2.270 11.611 -4.633 1.00 0.00 O ATOM 666 CB SER A 43 -1.302 11.880 -4.285 1.00 0.00 C ATOM 667 OG SER A 43 -1.806 11.060 -3.233 1.00 0.00 O ATOM 0 H SER A 43 -0.078 9.211 -4.416 1.00 0.00 H new ATOM 0 HA SER A 43 0.106 11.702 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.025 12.858 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.081 12.046 -5.029 1.00 0.00 H new ATOM 0 HG SER A 43 -2.582 11.495 -2.822 1.00 0.00 H new ATOM 673 N CYS A 44 1.009 11.346 -2.763 1.00 0.00 N ATOM 674 CA CYS A 44 2.103 11.554 -1.797 1.00 0.00 C ATOM 675 C CYS A 44 1.554 11.654 -0.352 1.00 0.00 C ATOM 676 O CYS A 44 2.020 10.935 0.534 1.00 0.00 O ATOM 677 CB CYS A 44 2.935 12.815 -2.146 1.00 0.00 C ATOM 678 SG CYS A 44 4.196 13.296 -0.906 1.00 0.00 S ATOM 0 H CYS A 44 0.113 11.134 -2.325 1.00 0.00 H new ATOM 0 HA CYS A 44 2.761 10.688 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.434 12.647 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.252 13.652 -2.287 1.00 0.00 H new ATOM 683 N PRO A 45 0.554 12.555 -0.084 1.00 0.00 N ATOM 684 CA PRO A 45 -0.039 12.681 1.255 1.00 0.00 C ATOM 685 C PRO A 45 -0.852 11.445 1.638 1.00 0.00 C ATOM 686 O PRO A 45 -1.576 10.879 0.811 1.00 0.00 O ATOM 687 CB PRO A 45 -0.954 13.904 1.129 1.00 0.00 C ATOM 688 CG PRO A 45 -1.273 13.989 -0.321 1.00 0.00 C ATOM 689 CD PRO A 45 -0.045 13.517 -1.037 1.00 0.00 C ATOM 0 HA PRO A 45 0.720 12.782 2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.858 13.786 1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.456 14.809 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.134 13.368 -0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.524 15.010 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.290 13.043 -1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.634 14.341 -1.258 1.00 0.00 H new ATOM 697 N GLN A 46 -0.758 11.056 2.899 1.00 0.00 N ATOM 698 CA GLN A 46 -1.424 9.856 3.400 1.00 0.00 C ATOM 699 C GLN A 46 -2.933 9.977 3.343 1.00 0.00 C ATOM 700 O GLN A 46 -3.633 8.967 3.258 1.00 0.00 O ATOM 701 CB GLN A 46 -1.001 9.587 4.833 1.00 0.00 C ATOM 702 CG GLN A 46 -1.664 8.376 5.452 1.00 0.00 C ATOM 703 CD GLN A 46 -1.420 8.269 6.935 1.00 0.00 C ATOM 704 OE1 GLN A 46 -1.242 9.267 7.624 1.00 0.00 O ATOM 705 NE2 GLN A 46 -1.416 7.059 7.435 1.00 0.00 N ATOM 0 H GLN A 46 -0.221 11.559 3.605 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.125 9.029 2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.080 9.452 4.863 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.229 10.464 5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.737 8.422 5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.294 7.475 4.962 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.568 6.255 6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.261 6.920 8.434 1.00 0.00 H new ATOM 714 N GLN A 47 -3.422 11.206 3.387 1.00 0.00 N ATOM 715 CA GLN A 47 -4.854 11.477 3.402 1.00 0.00 C ATOM 716 C GLN A 47 -5.582 10.687 2.313 1.00 0.00 C ATOM 717 O GLN A 47 -6.398 9.806 2.610 1.00 0.00 O ATOM 718 CB GLN A 47 -5.103 12.978 3.234 1.00 0.00 C ATOM 719 CG GLN A 47 -4.277 13.844 4.183 1.00 0.00 C ATOM 720 CD GLN A 47 -4.514 13.515 5.647 1.00 0.00 C ATOM 721 OE1 GLN A 47 -5.610 13.114 6.040 1.00 0.00 O ATOM 722 NE2 GLN A 47 -3.486 13.666 6.459 1.00 0.00 N ATOM 0 H GLN A 47 -2.840 12.043 3.413 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.252 11.155 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.877 13.263 2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -6.161 13.183 3.396 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.219 13.716 3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.516 14.893 4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.594 14.001 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.583 13.448 7.451 1.00 0.00 H new ATOM 731 N TRP A 48 -5.261 10.971 1.063 1.00 0.00 N ATOM 732 CA TRP A 48 -5.882 10.267 -0.048 1.00 0.00 C ATOM 733 C TRP A 48 -5.342 8.848 -0.160 1.00 0.00 C ATOM 734 O TRP A 48 -6.093 7.909 -0.432 1.00 0.00 O ATOM 735 CB TRP A 48 -5.660 11.014 -1.366 1.00 0.00 C ATOM 736 CG TRP A 48 -6.228 10.293 -2.554 1.00 0.00 C ATOM 737 CD1 TRP A 48 -5.573 9.415 -3.372 1.00 0.00 C ATOM 738 CD2 TRP A 48 -7.569 10.372 -3.046 1.00 0.00 C ATOM 739 NE1 TRP A 48 -6.422 8.950 -4.340 1.00 0.00 N ATOM 740 CE2 TRP A 48 -7.654 9.524 -4.166 1.00 0.00 C ATOM 741 CE3 TRP A 48 -8.705 11.081 -2.652 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -8.829 9.365 -4.891 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -9.869 10.921 -3.373 1.00 0.00 C ATOM 744 CH2 TRP A 48 -9.923 10.070 -4.481 1.00 0.00 C ATOM 0 H TRP A 48 -4.579 11.679 0.792 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.953 10.221 0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.114 12.003 -1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.591 11.164 -1.516 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.536 9.130 -3.269 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.177 8.284 -5.073 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.673 11.742 -1.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.875 8.708 -5.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.755 11.463 -3.077 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.851 9.968 -5.024 1.00 0.00 H new ATOM 755 N ILE A 49 -4.040 8.702 0.068 1.00 0.00 N ATOM 756 CA ILE A 49 -3.373 7.412 -0.045 1.00 0.00 C ATOM 757 C ILE A 49 -4.047 6.345 0.795 1.00 0.00 C ATOM 758 O ILE A 49 -4.532 5.359 0.262 1.00 0.00 O ATOM 759 CB ILE A 49 -1.877 7.515 0.328 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.112 8.212 -0.800 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.279 6.136 0.637 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.350 8.434 -0.505 1.00 0.00 C ATOM 0 H ILE A 49 -3.423 9.469 0.334 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.452 7.114 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.785 8.111 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.202 7.616 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.581 9.175 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.226 6.246 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.813 5.687 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.373 5.494 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.821 8.932 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.451 9.057 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.836 7.474 -0.333 1.00 0.00 H new ATOM 774 N LYS A 50 -4.111 6.549 2.098 1.00 0.00 N ATOM 775 CA LYS A 50 -4.698 5.551 2.961 1.00 0.00 C ATOM 776 C LYS A 50 -6.201 5.512 2.834 1.00 0.00 C ATOM 777 O LYS A 50 -6.812 4.492 3.108 1.00 0.00 O ATOM 778 CB LYS A 50 -4.260 5.707 4.413 1.00 0.00 C ATOM 779 CG LYS A 50 -2.806 5.310 4.657 1.00 0.00 C ATOM 780 CD LYS A 50 -2.483 3.908 4.130 1.00 0.00 C ATOM 781 CE LYS A 50 -3.382 2.840 4.739 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.043 1.485 4.236 1.00 0.00 N ATOM 0 H LYS A 50 -3.769 7.384 2.573 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.318 4.587 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.401 6.744 4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.906 5.098 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.149 6.035 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.597 5.350 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.592 3.896 3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.442 3.671 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.286 2.860 5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.423 3.065 4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.800 0.820 4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.943 1.514 3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.148 1.171 4.662 1.00 0.00 H new ATOM 796 N TYR A 51 -6.801 6.617 2.416 1.00 0.00 N ATOM 797 CA TYR A 51 -8.235 6.631 2.178 1.00 0.00 C ATOM 798 C TYR A 51 -8.592 5.666 1.038 1.00 0.00 C ATOM 799 O TYR A 51 -9.474 4.814 1.177 1.00 0.00 O ATOM 800 CB TYR A 51 -8.708 8.049 1.848 1.00 0.00 C ATOM 801 CG TYR A 51 -10.145 8.137 1.394 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.192 7.860 2.262 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.452 8.503 0.091 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.505 7.942 1.842 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.759 8.589 -0.335 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.781 8.307 0.541 1.00 0.00 C ATOM 807 OH TYR A 51 -14.088 8.395 0.115 1.00 0.00 O ATOM 0 H TYR A 51 -6.326 7.502 2.237 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.743 6.302 3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.579 8.676 2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.067 8.460 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.977 7.576 3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.653 8.724 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.310 7.722 2.527 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.980 8.877 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.108 8.665 -0.827 1.00 0.00 H new ATOM 817 N PHE A 52 -7.889 5.799 -0.082 1.00 0.00 N ATOM 818 CA PHE A 52 -8.121 4.955 -1.245 1.00 0.00 C ATOM 819 C PHE A 52 -7.558 3.539 -1.032 1.00 0.00 C ATOM 820 O PHE A 52 -8.119 2.554 -1.513 1.00 0.00 O ATOM 821 CB PHE A 52 -7.492 5.598 -2.490 1.00 0.00 C ATOM 822 CG PHE A 52 -7.766 4.864 -3.774 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.983 5.005 -4.422 1.00 0.00 C ATOM 824 CD2 PHE A 52 -6.805 4.037 -4.337 1.00 0.00 C ATOM 825 CE1 PHE A 52 -9.236 4.337 -5.603 1.00 0.00 C ATOM 826 CE2 PHE A 52 -7.055 3.364 -5.517 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.272 3.514 -6.151 1.00 0.00 C ATOM 0 H PHE A 52 -7.149 6.489 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.197 4.865 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.862 6.619 -2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.414 5.662 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.742 5.645 -3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.850 3.918 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.188 4.458 -6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.299 2.721 -5.943 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.470 2.989 -7.074 1.00 0.00 H new ATOM 837 N ASP A 53 -6.454 3.449 -0.311 1.00 0.00 N ATOM 838 CA ASP A 53 -5.777 2.167 -0.079 1.00 0.00 C ATOM 839 C ASP A 53 -6.518 1.299 0.930 1.00 0.00 C ATOM 840 O ASP A 53 -6.478 0.076 0.846 1.00 0.00 O ATOM 841 CB ASP A 53 -4.346 2.402 0.396 1.00 0.00 C ATOM 842 CG ASP A 53 -3.577 1.121 0.587 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.509 0.327 -0.372 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.028 0.920 1.696 1.00 0.00 O ATOM 0 H ASP A 53 -5.999 4.248 0.130 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.766 1.634 -1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.826 3.028 -0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.366 2.952 1.337 1.00 0.00 H new ATOM 849 N LYS A 54 -7.245 1.947 1.830 1.00 0.00 N ATOM 850 CA LYS A 54 -7.939 1.286 2.950 1.00 0.00 C ATOM 851 C LYS A 54 -8.785 0.080 2.511 1.00 0.00 C ATOM 852 O LYS A 54 -8.939 -0.885 3.263 1.00 0.00 O ATOM 853 CB LYS A 54 -8.835 2.310 3.654 1.00 0.00 C ATOM 854 CG LYS A 54 -9.492 1.803 4.918 1.00 0.00 C ATOM 855 CD LYS A 54 -10.343 2.879 5.566 1.00 0.00 C ATOM 856 CE LYS A 54 -10.822 2.446 6.938 1.00 0.00 C ATOM 857 NZ LYS A 54 -9.686 2.182 7.855 1.00 0.00 N ATOM 0 H LYS A 54 -7.377 2.958 1.811 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.174 0.903 3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.239 3.190 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.611 2.633 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.112 0.937 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.727 1.469 5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.766 3.800 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.201 3.099 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.460 3.221 7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.431 1.547 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.007 2.273 8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.327 1.219 7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.927 2.869 7.674 1.00 0.00 H new ATOM 871 N ARG A 55 -9.311 0.131 1.305 1.00 0.00 N ATOM 872 CA ARG A 55 -10.186 -0.923 0.815 1.00 0.00 C ATOM 873 C ARG A 55 -9.431 -2.249 0.583 1.00 0.00 C ATOM 874 O ARG A 55 -9.902 -3.316 0.979 1.00 0.00 O ATOM 875 CB ARG A 55 -10.872 -0.475 -0.477 1.00 0.00 C ATOM 876 CG ARG A 55 -12.111 -1.281 -0.830 1.00 0.00 C ATOM 877 CD ARG A 55 -13.198 -1.094 0.217 1.00 0.00 C ATOM 878 NE ARG A 55 -14.398 -1.864 -0.086 1.00 0.00 N ATOM 879 CZ ARG A 55 -15.461 -1.931 0.712 1.00 0.00 C ATOM 880 NH1 ARG A 55 -15.483 -1.251 1.858 1.00 0.00 N ATOM 881 NH2 ARG A 55 -16.503 -2.673 0.364 1.00 0.00 N ATOM 0 H ARG A 55 -9.150 0.890 0.643 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.936 -1.108 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.148 0.575 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.159 -0.546 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.484 -0.972 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.853 -2.337 -0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.814 -1.393 1.193 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.455 -0.037 0.285 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.425 -2.383 -0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.684 -0.677 2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.299 -1.305 2.467 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.489 -3.192 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.318 -2.725 0.975 1.00 0.00 H new ATOM 895 N ARG A 56 -8.277 -2.178 -0.071 1.00 0.00 N ATOM 896 CA ARG A 56 -7.513 -3.389 -0.400 1.00 0.00 C ATOM 897 C ARG A 56 -6.255 -3.544 0.452 1.00 0.00 C ATOM 898 O ARG A 56 -5.485 -4.484 0.249 1.00 0.00 O ATOM 899 CB ARG A 56 -7.137 -3.405 -1.877 1.00 0.00 C ATOM 900 CG ARG A 56 -8.326 -3.433 -2.823 1.00 0.00 C ATOM 901 CD ARG A 56 -9.170 -4.684 -2.641 1.00 0.00 C ATOM 902 NE ARG A 56 -8.397 -5.916 -2.837 1.00 0.00 N ATOM 903 CZ ARG A 56 -8.531 -6.730 -3.892 1.00 0.00 C ATOM 904 NH1 ARG A 56 -9.330 -6.397 -4.906 1.00 0.00 N ATOM 905 NH2 ARG A 56 -7.840 -7.864 -3.944 1.00 0.00 N ATOM 0 H ARG A 56 -7.848 -1.307 -0.384 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.165 -4.233 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.533 -2.524 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.512 -4.276 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.944 -2.551 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.971 -3.382 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.602 -4.685 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.001 -4.664 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.713 -6.169 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.845 -5.517 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.427 -7.023 -5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.210 -8.112 -3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.940 -8.486 -4.746 1.00 0.00 H new ATOM 919 N ASP A 57 -6.047 -2.623 1.378 1.00 0.00 N ATOM 920 CA ASP A 57 -4.862 -2.639 2.246 1.00 0.00 C ATOM 921 C ASP A 57 -4.725 -3.962 2.982 1.00 0.00 C ATOM 922 O ASP A 57 -5.591 -4.343 3.778 1.00 0.00 O ATOM 923 CB ASP A 57 -4.922 -1.484 3.243 1.00 0.00 C ATOM 924 CG ASP A 57 -3.807 -1.507 4.281 1.00 0.00 C ATOM 925 OD1 ASP A 57 -2.817 -2.253 4.110 1.00 0.00 O ATOM 926 OD2 ASP A 57 -3.915 -0.748 5.270 1.00 0.00 O ATOM 0 H ASP A 57 -6.683 -1.846 1.555 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.984 -2.519 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.877 -0.542 2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.883 -1.509 3.756 1.00 0.00 H new ATOM 931 N TYR A 58 -3.642 -4.668 2.692 1.00 0.00 N ATOM 932 CA TYR A 58 -3.385 -5.944 3.305 1.00 0.00 C ATOM 933 C TYR A 58 -2.116 -5.922 4.156 1.00 0.00 C ATOM 934 O TYR A 58 -2.161 -6.118 5.363 1.00 0.00 O ATOM 935 CB TYR A 58 -3.275 -7.018 2.235 1.00 0.00 C ATOM 936 CG TYR A 58 -3.257 -8.431 2.788 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.254 -8.878 3.647 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.246 -9.309 2.453 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.235 -10.166 4.152 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.216 -10.597 2.953 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.210 -11.019 3.802 1.00 0.00 C ATOM 942 OH TYR A 58 -3.186 -12.306 4.298 1.00 0.00 O ATOM 0 H TYR A 58 -2.927 -4.368 2.029 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.221 -6.169 3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.113 -6.918 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.365 -6.852 1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.056 -8.210 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.462 -8.983 1.786 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.018 -10.501 4.816 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.416 -11.268 2.678 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.398 -12.775 3.953 1.00 0.00 H new ATOM 952 N LEU A 59 -0.982 -5.701 3.518 1.00 0.00 N ATOM 953 CA LEU A 59 0.286 -5.722 4.229 1.00 0.00 C ATOM 954 C LEU A 59 0.560 -4.423 4.961 1.00 0.00 C ATOM 955 O LEU A 59 1.170 -4.426 6.023 1.00 0.00 O ATOM 956 CB LEU A 59 1.446 -6.033 3.296 1.00 0.00 C ATOM 957 CG LEU A 59 1.462 -7.417 2.629 1.00 0.00 C ATOM 958 CD1 LEU A 59 1.010 -8.502 3.593 1.00 0.00 C ATOM 959 CD2 LEU A 59 0.630 -7.426 1.357 1.00 0.00 C ATOM 0 H LEU A 59 -0.910 -5.507 2.519 1.00 0.00 H new ATOM 0 HA LEU A 59 0.201 -6.518 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.457 -5.279 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.372 -5.919 3.860 1.00 0.00 H new ATOM 0 HG LEU A 59 2.493 -7.635 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.033 -9.469 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.678 -8.525 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.006 -8.291 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.661 -8.419 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.402 -7.168 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.033 -6.697 0.653 1.00 0.00 H new ATOM 971 N LYS A 60 0.135 -3.319 4.380 1.00 0.00 N ATOM 972 CA LYS A 60 0.376 -2.008 4.965 1.00 0.00 C ATOM 973 C LYS A 60 -0.208 -1.903 6.389 1.00 0.00 C ATOM 974 O LYS A 60 0.433 -1.343 7.281 1.00 0.00 O ATOM 975 CB LYS A 60 -0.189 -0.906 4.058 1.00 0.00 C ATOM 976 CG LYS A 60 0.256 0.507 4.420 1.00 0.00 C ATOM 977 CD LYS A 60 1.756 0.695 4.237 1.00 0.00 C ATOM 978 CE LYS A 60 2.197 0.387 2.812 1.00 0.00 C ATOM 979 NZ LYS A 60 3.528 0.978 2.513 1.00 0.00 N ATOM 0 H LYS A 60 -0.381 -3.300 3.500 1.00 0.00 H new ATOM 0 HA LYS A 60 1.454 -1.872 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.107 -1.113 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.278 -0.949 4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.278 1.226 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.013 0.718 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.027 1.721 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.291 0.046 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.237 -0.693 2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.459 0.776 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.014 0.397 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.405 1.944 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.098 1.007 3.382 1.00 0.00 H new ATOM 993 N PHE A 61 -1.407 -2.447 6.601 1.00 0.00 N ATOM 994 CA PHE A 61 -2.035 -2.391 7.926 1.00 0.00 C ATOM 995 C PHE A 61 -1.517 -3.500 8.855 1.00 0.00 C ATOM 996 O PHE A 61 -1.681 -3.422 10.077 1.00 0.00 O ATOM 997 CB PHE A 61 -3.580 -2.427 7.828 1.00 0.00 C ATOM 998 CG PHE A 61 -4.214 -3.803 7.837 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.715 -4.331 9.019 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.333 -4.555 6.674 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.313 -5.576 9.045 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -4.931 -5.804 6.702 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.420 -6.311 7.885 1.00 0.00 C ATOM 0 H PHE A 61 -1.957 -2.924 5.887 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.751 -1.436 8.367 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.990 -1.854 8.660 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.878 -1.917 6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.636 -3.760 9.932 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.956 -4.162 5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.696 -5.973 9.974 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.014 -6.382 5.793 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.887 -7.285 7.903 1.00 0.00 H new