USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 625 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 Single : A 9 THR OG1 : rot 91:sc= 0.311 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS :FLIP no HE2:sc= -2.63 F(o=-5.2!,f=-2.6) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -137:sc= 0.168 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.9! X(o=-1.9!,f=-1.5) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.135 F(o=-1.3,f=-0.14) USER MOD Single : A 41 SER OG : rot 92:sc= 0.0703 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -128:sc= -0.0415 (180deg=-1.6) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.131) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -170:sc= -0.0698 (180deg=-0.317) USER MOD Single : A 84 SER OG : rot -52:sc= 0.113 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N GLU A 8 -6.808 18.587 -11.829 1.00 0.00 N ATOM 132 CA GLU A 8 -5.464 18.077 -12.119 1.00 0.00 C ATOM 133 C GLU A 8 -5.090 18.311 -13.584 1.00 0.00 C ATOM 134 O GLU A 8 -5.825 18.966 -14.325 1.00 0.00 O ATOM 135 CB GLU A 8 -5.371 16.578 -11.789 1.00 0.00 C ATOM 136 CG GLU A 8 -6.340 16.113 -10.706 1.00 0.00 C ATOM 137 CD GLU A 8 -7.649 15.583 -11.268 1.00 0.00 C ATOM 138 OE1 GLU A 8 -7.997 15.941 -12.414 1.00 0.00 O ATOM 139 OE2 GLU A 8 -8.328 14.811 -10.560 1.00 0.00 O ATOM 0 HA GLU A 8 -4.760 18.623 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.558 16.005 -12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.353 16.350 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.864 15.333 -10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.550 16.944 -10.033 1.00 0.00 H new ATOM 146 N THR A 9 -3.936 17.771 -13.991 1.00 0.00 N ATOM 147 CA THR A 9 -3.452 17.916 -15.360 1.00 0.00 C ATOM 148 C THR A 9 -2.911 16.585 -15.893 1.00 0.00 C ATOM 149 O THR A 9 -3.392 16.074 -16.906 1.00 0.00 O ATOM 150 CB THR A 9 -2.372 19.005 -15.430 1.00 0.00 C ATOM 151 OG1 THR A 9 -1.159 18.556 -14.850 1.00 0.00 O ATOM 152 CG2 THR A 9 -2.767 20.286 -14.723 1.00 0.00 C ATOM 0 H THR A 9 -3.321 17.228 -13.385 1.00 0.00 H new ATOM 0 HA THR A 9 -4.290 18.215 -15.990 1.00 0.00 H new ATOM 0 HB THR A 9 -2.247 19.214 -16.493 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.598 18.146 -15.541 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.960 21.013 -14.810 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.671 20.690 -15.180 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.955 20.077 -13.670 1.00 0.00 H new ATOM 160 N ASP A 10 -1.913 16.028 -15.200 1.00 0.00 N ATOM 161 CA ASP A 10 -1.308 14.753 -15.592 1.00 0.00 C ATOM 162 C ASP A 10 -1.286 13.790 -14.407 1.00 0.00 C ATOM 163 O ASP A 10 -1.316 14.220 -13.252 1.00 0.00 O ATOM 164 CB ASP A 10 0.120 14.962 -16.115 1.00 0.00 C ATOM 165 CG ASP A 10 0.231 16.135 -17.073 1.00 0.00 C ATOM 166 OD1 ASP A 10 0.682 17.216 -16.639 1.00 0.00 O ATOM 167 OD2 ASP A 10 -0.134 15.971 -18.256 1.00 0.00 O ATOM 0 H ASP A 10 -1.506 16.443 -14.362 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.913 14.325 -16.392 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.791 15.123 -15.271 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.454 14.055 -16.619 1.00 0.00 H new ATOM 172 N CYS A 11 -1.234 12.488 -14.693 1.00 0.00 N ATOM 173 CA CYS A 11 -1.209 11.478 -13.635 1.00 0.00 C ATOM 174 C CYS A 11 -0.398 10.246 -14.043 1.00 0.00 C ATOM 175 O CYS A 11 0.447 9.779 -13.278 1.00 0.00 O ATOM 176 CB CYS A 11 -2.636 11.063 -13.259 1.00 0.00 C ATOM 177 SG CYS A 11 -2.745 9.918 -11.840 1.00 0.00 S ATOM 0 H CYS A 11 -1.209 12.111 -15.640 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.723 11.926 -12.769 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.213 11.959 -13.031 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.104 10.594 -14.124 1.00 0.00 H new ATOM 182 N SER A 12 -0.663 9.712 -15.242 1.00 0.00 N ATOM 183 CA SER A 12 0.046 8.522 -15.729 1.00 0.00 C ATOM 184 C SER A 12 1.560 8.676 -15.610 1.00 0.00 C ATOM 185 O SER A 12 2.265 7.700 -15.358 1.00 0.00 O ATOM 186 CB SER A 12 -0.313 8.223 -17.183 1.00 0.00 C ATOM 187 OG SER A 12 -1.675 7.853 -17.312 1.00 0.00 O ATOM 0 H SER A 12 -1.359 10.082 -15.889 1.00 0.00 H new ATOM 0 HA SER A 12 -0.272 7.691 -15.099 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.113 9.101 -17.797 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.321 7.420 -17.559 1.00 0.00 H new ATOM 0 HG SER A 12 -1.876 7.669 -18.253 1.00 0.00 H new ATOM 193 N GLU A 13 2.055 9.902 -15.788 1.00 0.00 N ATOM 194 CA GLU A 13 3.488 10.167 -15.692 1.00 0.00 C ATOM 195 C GLU A 13 3.987 9.887 -14.281 1.00 0.00 C ATOM 196 O GLU A 13 5.052 9.302 -14.102 1.00 0.00 O ATOM 197 CB GLU A 13 3.808 11.606 -16.091 1.00 0.00 C ATOM 198 CG GLU A 13 3.380 11.966 -17.507 1.00 0.00 C ATOM 199 CD GLU A 13 3.831 13.354 -17.920 1.00 0.00 C ATOM 200 OE1 GLU A 13 3.058 14.314 -17.717 1.00 0.00 O ATOM 201 OE2 GLU A 13 4.957 13.481 -18.446 1.00 0.00 O ATOM 0 H GLU A 13 1.486 10.722 -15.998 1.00 0.00 H new ATOM 0 HA GLU A 13 4.001 9.500 -16.385 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.319 12.284 -15.391 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.881 11.769 -15.994 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.789 11.234 -18.203 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.294 11.904 -17.581 1.00 0.00 H new ATOM 208 N ILE A 14 3.191 10.267 -13.281 1.00 0.00 N ATOM 209 CA ILE A 14 3.549 10.008 -11.888 1.00 0.00 C ATOM 210 C ILE A 14 3.625 8.520 -11.679 1.00 0.00 C ATOM 211 O ILE A 14 4.560 8.034 -11.041 1.00 0.00 O ATOM 212 CB ILE A 14 2.557 10.640 -10.882 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.728 12.166 -10.850 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.738 10.044 -9.483 1.00 0.00 C ATOM 215 CD1 ILE A 14 3.900 12.641 -10.011 1.00 0.00 C ATOM 0 H ILE A 14 2.302 10.751 -13.408 1.00 0.00 H new ATOM 0 HA ILE A 14 4.515 10.475 -11.698 1.00 0.00 H new ATOM 0 HB ILE A 14 1.544 10.412 -11.213 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.855 12.528 -11.870 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.813 12.615 -10.464 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.029 10.506 -8.796 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.560 8.969 -9.520 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.754 10.232 -9.136 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.951 13.729 -10.041 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.767 12.312 -8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.825 12.223 -10.409 1.00 0.00 H new ATOM 227 N LEU A 15 2.693 7.774 -12.277 1.00 0.00 N ATOM 228 CA LEU A 15 2.757 6.336 -12.189 1.00 0.00 C ATOM 229 C LEU A 15 4.045 5.933 -12.880 1.00 0.00 C ATOM 230 O LEU A 15 4.885 5.257 -12.290 1.00 0.00 O ATOM 231 CB LEU A 15 1.533 5.677 -12.846 1.00 0.00 C ATOM 232 CG LEU A 15 0.188 6.380 -12.595 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.930 5.670 -13.344 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.123 6.453 -11.103 1.00 0.00 C ATOM 0 H LEU A 15 1.907 8.142 -12.813 1.00 0.00 H new ATOM 0 HA LEU A 15 2.747 6.003 -11.151 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.702 5.628 -13.922 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.459 4.650 -12.488 1.00 0.00 H new ATOM 0 HG LEU A 15 0.263 7.400 -12.971 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.875 6.180 -13.156 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.717 5.683 -14.413 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.000 4.638 -13.000 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.079 6.955 -10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.175 5.445 -10.692 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.663 7.012 -10.595 1.00 0.00 H new ATOM 246 N ASP A 16 4.194 6.355 -14.149 1.00 0.00 N ATOM 247 CA ASP A 16 5.391 6.047 -14.930 1.00 0.00 C ATOM 248 C ASP A 16 6.652 6.077 -14.067 1.00 0.00 C ATOM 249 O ASP A 16 7.525 5.225 -14.246 1.00 0.00 O ATOM 250 CB ASP A 16 5.525 7.019 -16.107 1.00 0.00 C ATOM 251 CG ASP A 16 6.553 6.565 -17.128 1.00 0.00 C ATOM 252 OD1 ASP A 16 6.195 5.757 -18.011 1.00 0.00 O ATOM 253 OD2 ASP A 16 7.714 7.017 -17.043 1.00 0.00 O ATOM 0 H ASP A 16 3.498 6.909 -14.649 1.00 0.00 H new ATOM 0 HA ASP A 16 5.281 5.034 -15.317 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.557 7.127 -16.596 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.803 8.003 -15.730 1.00 0.00 H new ATOM 258 N HIS A 17 6.748 7.000 -13.087 1.00 0.00 N ATOM 259 CA HIS A 17 7.910 7.000 -12.208 1.00 0.00 C ATOM 260 C HIS A 17 7.765 5.817 -11.269 1.00 0.00 C ATOM 261 O HIS A 17 8.631 4.953 -11.204 1.00 0.00 O ATOM 262 CB HIS A 17 8.053 8.278 -11.351 1.00 0.00 C ATOM 263 CG HIS A 17 7.540 9.552 -11.950 1.00 0.00 C ATOM 264 ND1 HIS A 17 7.431 9.973 -13.231 1.00 0.00 N flip ATOM 265 CD2 HIS A 17 7.100 10.598 -11.168 1.00 0.00 C flip ATOM 266 CE1 HIS A 17 6.935 11.255 -13.196 1.00 0.00 C flip ATOM 267 NE2 HIS A 17 6.744 11.605 -11.936 1.00 0.00 N flip ATOM 0 H HIS A 17 6.056 7.725 -12.897 1.00 0.00 H new ATOM 0 HA HIS A 17 8.797 6.948 -12.840 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.535 8.114 -10.406 1.00 0.00 H new ATOM 0 HB3 HIS A 17 9.109 8.414 -11.116 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.672 9.439 -14.066 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.054 10.592 -10.089 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.734 11.875 -14.057 1.00 0.00 H new ATOM 276 N LEU A 18 6.642 5.789 -10.542 1.00 0.00 N ATOM 277 CA LEU A 18 6.364 4.707 -9.588 1.00 0.00 C ATOM 278 C LEU A 18 6.833 3.342 -10.106 1.00 0.00 C ATOM 279 O LEU A 18 7.213 2.479 -9.318 1.00 0.00 O ATOM 280 CB LEU A 18 4.857 4.627 -9.269 1.00 0.00 C ATOM 281 CG LEU A 18 4.383 5.420 -8.044 1.00 0.00 C ATOM 282 CD1 LEU A 18 5.084 4.942 -6.777 1.00 0.00 C ATOM 283 CD2 LEU A 18 4.588 6.911 -8.261 1.00 0.00 C ATOM 0 H LEU A 18 5.913 6.500 -10.595 1.00 0.00 H new ATOM 0 HA LEU A 18 6.923 4.945 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.303 4.977 -10.140 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.592 3.580 -9.123 1.00 0.00 H new ATOM 0 HG LEU A 18 3.315 5.242 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.729 5.521 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.864 3.887 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.160 5.076 -6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.246 7.457 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.647 7.113 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.018 7.234 -9.133 1.00 0.00 H new ATOM 295 N TYR A 19 6.798 3.147 -11.425 1.00 0.00 N ATOM 296 CA TYR A 19 7.220 1.883 -12.021 1.00 0.00 C ATOM 297 C TYR A 19 8.735 1.863 -12.281 1.00 0.00 C ATOM 298 O TYR A 19 9.465 1.105 -11.642 1.00 0.00 O ATOM 299 CB TYR A 19 6.436 1.626 -13.320 1.00 0.00 C ATOM 300 CG TYR A 19 6.322 0.160 -13.691 1.00 0.00 C ATOM 301 CD1 TYR A 19 5.090 -0.491 -13.689 1.00 0.00 C ATOM 302 CD2 TYR A 19 7.449 -0.572 -14.046 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.992 -1.828 -14.028 1.00 0.00 C ATOM 304 CE2 TYR A 19 7.357 -1.906 -14.387 1.00 0.00 C ATOM 305 CZ TYR A 19 6.127 -2.531 -14.376 1.00 0.00 C ATOM 306 OH TYR A 19 6.032 -3.861 -14.715 1.00 0.00 O ATOM 0 H TYR A 19 6.483 3.847 -12.097 1.00 0.00 H new ATOM 0 HA TYR A 19 7.002 1.082 -11.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.434 2.043 -13.216 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.921 2.160 -14.137 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.199 0.056 -13.419 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.414 -0.088 -14.055 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.031 -2.320 -14.020 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.244 -2.458 -14.661 1.00 0.00 H new ATOM 0 HH TYR A 19 6.922 -4.207 -14.935 1.00 0.00 H new ATOM 316 N GLU A 20 9.201 2.684 -13.231 1.00 0.00 N ATOM 317 CA GLU A 20 10.631 2.737 -13.581 1.00 0.00 C ATOM 318 C GLU A 20 11.480 3.332 -12.449 1.00 0.00 C ATOM 319 O GLU A 20 12.627 2.936 -12.247 1.00 0.00 O ATOM 320 CB GLU A 20 10.845 3.552 -14.863 1.00 0.00 C ATOM 321 CG GLU A 20 9.872 3.211 -15.982 1.00 0.00 C ATOM 322 CD GLU A 20 10.244 3.860 -17.302 1.00 0.00 C ATOM 323 OE1 GLU A 20 9.804 5.003 -17.547 1.00 0.00 O ATOM 324 OE2 GLU A 20 10.975 3.224 -18.090 1.00 0.00 O ATOM 0 H GLU A 20 8.613 3.319 -13.771 1.00 0.00 H new ATOM 0 HA GLU A 20 10.955 1.709 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.754 4.612 -14.627 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.863 3.391 -15.218 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.838 2.129 -16.111 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.870 3.529 -15.695 1.00 0.00 H new ATOM 331 N PHE A 21 10.901 4.271 -11.712 1.00 0.00 N ATOM 332 CA PHE A 21 11.577 4.920 -10.586 1.00 0.00 C ATOM 333 C PHE A 21 11.846 3.899 -9.490 1.00 0.00 C ATOM 334 O PHE A 21 12.936 3.808 -8.932 1.00 0.00 O ATOM 335 CB PHE A 21 10.671 6.027 -10.014 1.00 0.00 C ATOM 336 CG PHE A 21 11.393 7.091 -9.244 1.00 0.00 C ATOM 337 CD1 PHE A 21 12.022 6.787 -8.051 1.00 0.00 C ATOM 338 CD2 PHE A 21 11.439 8.389 -9.714 1.00 0.00 C ATOM 339 CE1 PHE A 21 12.690 7.764 -7.338 1.00 0.00 C ATOM 340 CE2 PHE A 21 12.102 9.373 -9.007 1.00 0.00 C ATOM 341 CZ PHE A 21 12.731 9.059 -7.817 1.00 0.00 C ATOM 0 H PHE A 21 9.952 4.607 -11.874 1.00 0.00 H new ATOM 0 HA PHE A 21 12.518 5.346 -10.934 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.130 6.496 -10.836 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.927 5.568 -9.363 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.991 5.776 -7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.951 8.637 -10.645 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.179 7.516 -6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.129 10.385 -9.383 1.00 0.00 H new ATOM 0 HZ PHE A 21 13.254 9.825 -7.263 1.00 0.00 H new ATOM 351 N LEU A 22 10.793 3.168 -9.185 1.00 0.00 N ATOM 352 CA LEU A 22 10.816 2.164 -8.141 1.00 0.00 C ATOM 353 C LEU A 22 11.620 0.921 -8.541 1.00 0.00 C ATOM 354 O LEU A 22 12.441 0.441 -7.758 1.00 0.00 O ATOM 355 CB LEU A 22 9.380 1.803 -7.775 1.00 0.00 C ATOM 356 CG LEU A 22 9.185 0.912 -6.542 1.00 0.00 C ATOM 357 CD1 LEU A 22 10.062 1.356 -5.377 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.716 0.911 -6.140 1.00 0.00 C ATOM 0 H LEU A 22 9.893 3.254 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 22 11.324 2.580 -7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.827 2.729 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.926 1.303 -8.631 1.00 0.00 H new ATOM 0 HG LEU A 22 9.490 -0.102 -6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.894 0.699 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.110 1.307 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.810 2.380 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.579 0.277 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.402 1.928 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.114 0.527 -6.963 1.00 0.00 H new ATOM 370 N ASP A 23 11.347 0.365 -9.725 1.00 0.00 N ATOM 371 CA ASP A 23 12.018 -0.868 -10.167 1.00 0.00 C ATOM 372 C ASP A 23 13.336 -0.648 -10.923 1.00 0.00 C ATOM 373 O ASP A 23 14.203 -1.524 -10.908 1.00 0.00 O ATOM 374 CB ASP A 23 11.069 -1.665 -11.071 1.00 0.00 C ATOM 375 CG ASP A 23 10.924 -3.112 -10.637 1.00 0.00 C ATOM 376 OD1 ASP A 23 10.302 -3.357 -9.583 1.00 0.00 O ATOM 377 OD2 ASP A 23 11.434 -4.001 -11.353 1.00 0.00 O ATOM 0 H ASP A 23 10.673 0.742 -10.391 1.00 0.00 H new ATOM 0 HA ASP A 23 12.271 -1.407 -9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.088 -1.190 -11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.438 -1.633 -12.096 1.00 0.00 H new ATOM 382 N LYS A 24 13.468 0.471 -11.632 1.00 0.00 N ATOM 383 CA LYS A 24 14.664 0.721 -12.441 1.00 0.00 C ATOM 384 C LYS A 24 15.570 1.825 -11.895 1.00 0.00 C ATOM 385 O LYS A 24 16.341 2.431 -12.644 1.00 0.00 O ATOM 386 CB LYS A 24 14.241 1.060 -13.865 1.00 0.00 C ATOM 387 CG LYS A 24 14.164 -0.144 -14.795 1.00 0.00 C ATOM 388 CD LYS A 24 12.823 -0.863 -14.680 1.00 0.00 C ATOM 389 CE LYS A 24 12.866 -2.242 -15.326 1.00 0.00 C ATOM 390 NZ LYS A 24 12.847 -2.165 -16.815 1.00 0.00 N ATOM 0 H LYS A 24 12.770 1.214 -11.665 1.00 0.00 H new ATOM 0 HA LYS A 24 15.256 -0.194 -12.411 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.266 1.546 -13.837 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.945 1.781 -14.280 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.315 0.181 -15.824 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.970 -0.838 -14.559 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.552 -0.962 -13.629 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.046 -0.263 -15.154 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.765 -2.766 -15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.014 -2.829 -14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.878 -3.125 -17.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.977 -1.689 -17.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.674 -1.627 -17.145 1.00 0.00 H new ATOM 404 N GLU A 25 15.494 2.068 -10.603 1.00 0.00 N ATOM 405 CA GLU A 25 16.325 3.085 -9.966 1.00 0.00 C ATOM 406 C GLU A 25 16.948 2.570 -8.663 1.00 0.00 C ATOM 407 O GLU A 25 18.156 2.335 -8.606 1.00 0.00 O ATOM 408 CB GLU A 25 15.518 4.367 -9.719 1.00 0.00 C ATOM 409 CG GLU A 25 16.239 5.629 -10.158 1.00 0.00 C ATOM 410 CD GLU A 25 15.423 6.886 -9.919 1.00 0.00 C ATOM 411 OE1 GLU A 25 14.630 7.258 -10.810 1.00 0.00 O ATOM 412 OE2 GLU A 25 15.576 7.497 -8.841 1.00 0.00 O ATOM 0 H GLU A 25 14.866 1.577 -9.967 1.00 0.00 H new ATOM 0 HA GLU A 25 17.143 3.319 -10.648 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.568 4.297 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 25 15.285 4.442 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.184 5.707 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.480 5.554 -11.218 1.00 0.00 H new ATOM 419 N MET A 26 16.127 2.397 -7.621 1.00 0.00 N ATOM 420 CA MET A 26 16.611 1.912 -6.324 1.00 0.00 C ATOM 421 C MET A 26 15.451 1.768 -5.331 1.00 0.00 C ATOM 422 O MET A 26 15.159 2.691 -4.569 1.00 0.00 O ATOM 423 CB MET A 26 17.683 2.860 -5.755 1.00 0.00 C ATOM 424 CG MET A 26 19.066 2.230 -5.649 1.00 0.00 C ATOM 425 SD MET A 26 20.388 3.453 -5.534 1.00 0.00 S ATOM 426 CE MET A 26 21.816 2.391 -5.329 1.00 0.00 C ATOM 0 H MET A 26 15.125 2.586 -7.651 1.00 0.00 H new ATOM 0 HA MET A 26 17.060 0.931 -6.477 1.00 0.00 H new ATOM 0 HB2 MET A 26 17.745 3.745 -6.388 1.00 0.00 H new ATOM 0 HB3 MET A 26 17.370 3.196 -4.766 1.00 0.00 H new ATOM 0 HG2 MET A 26 19.099 1.583 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 26 19.239 1.596 -6.519 1.00 0.00 H new ATOM 0 HE1 MET A 26 22.715 3.002 -5.243 1.00 0.00 H new ATOM 0 HE2 MET A 26 21.697 1.792 -4.426 1.00 0.00 H new ATOM 0 HE3 MET A 26 21.906 1.732 -6.193 1.00 0.00 H new ATOM 436 N PRO A 27 14.765 0.604 -5.340 1.00 0.00 N ATOM 437 CA PRO A 27 13.622 0.319 -4.460 1.00 0.00 C ATOM 438 C PRO A 27 13.703 0.970 -3.071 1.00 0.00 C ATOM 439 O PRO A 27 12.721 1.549 -2.601 1.00 0.00 O ATOM 440 CB PRO A 27 13.677 -1.201 -4.356 1.00 0.00 C ATOM 441 CG PRO A 27 14.150 -1.644 -5.702 1.00 0.00 C ATOM 442 CD PRO A 27 15.041 -0.543 -6.232 1.00 0.00 C ATOM 0 HA PRO A 27 12.694 0.726 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.359 -1.522 -3.569 1.00 0.00 H new ATOM 0 HB3 PRO A 27 12.699 -1.620 -4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.697 -2.584 -5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.307 -1.816 -6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.092 -0.830 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.808 -0.306 -7.270 1.00 0.00 H new ATOM 450 N ASP A 28 14.863 0.872 -2.414 1.00 0.00 N ATOM 451 CA ASP A 28 15.039 1.454 -1.076 1.00 0.00 C ATOM 452 C ASP A 28 15.501 2.908 -1.148 1.00 0.00 C ATOM 453 O ASP A 28 15.026 3.748 -0.381 1.00 0.00 O ATOM 454 CB ASP A 28 16.024 0.620 -0.242 1.00 0.00 C ATOM 455 CG ASP A 28 17.381 0.464 -0.906 1.00 0.00 C ATOM 456 OD1 ASP A 28 18.285 1.272 -0.607 1.00 0.00 O ATOM 457 OD2 ASP A 28 17.538 -0.467 -1.724 1.00 0.00 O ATOM 0 H ASP A 28 15.689 0.400 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 28 14.066 1.438 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.155 1.090 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.597 -0.367 -0.065 1.00 0.00 H new ATOM 462 N SER A 29 16.411 3.211 -2.074 1.00 0.00 N ATOM 463 CA SER A 29 16.906 4.578 -2.238 1.00 0.00 C ATOM 464 C SER A 29 15.976 5.368 -3.165 1.00 0.00 C ATOM 465 O SER A 29 16.423 6.026 -4.106 1.00 0.00 O ATOM 466 CB SER A 29 18.341 4.570 -2.778 1.00 0.00 C ATOM 467 OG SER A 29 19.224 5.230 -1.887 1.00 0.00 O ATOM 0 H SER A 29 16.818 2.533 -2.718 1.00 0.00 H new ATOM 0 HA SER A 29 16.917 5.067 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.671 3.542 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.369 5.059 -3.752 1.00 0.00 H new ATOM 0 HG SER A 29 20.133 5.210 -2.253 1.00 0.00 H new ATOM 473 N ASP A 30 14.670 5.287 -2.885 1.00 0.00 N ATOM 474 CA ASP A 30 13.664 5.979 -3.682 1.00 0.00 C ATOM 475 C ASP A 30 12.588 6.622 -2.807 1.00 0.00 C ATOM 476 O ASP A 30 11.930 7.559 -3.247 1.00 0.00 O ATOM 477 CB ASP A 30 13.012 5.013 -4.679 1.00 0.00 C ATOM 478 CG ASP A 30 13.864 4.771 -5.912 1.00 0.00 C ATOM 479 OD1 ASP A 30 13.677 3.722 -6.562 1.00 0.00 O ATOM 480 OD2 ASP A 30 14.716 5.628 -6.231 1.00 0.00 O ATOM 0 H ASP A 30 14.289 4.746 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 30 14.174 6.773 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.821 4.061 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.045 5.413 -4.985 1.00 0.00 H new ATOM 485 N ALA A 31 12.403 6.133 -1.571 1.00 0.00 N ATOM 486 CA ALA A 31 11.393 6.703 -0.678 1.00 0.00 C ATOM 487 C ALA A 31 11.621 8.198 -0.443 1.00 0.00 C ATOM 488 O ALA A 31 10.668 8.979 -0.423 1.00 0.00 O ATOM 489 CB ALA A 31 11.377 5.959 0.645 1.00 0.00 C ATOM 0 H ALA A 31 12.933 5.356 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 31 10.424 6.589 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.621 6.395 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.143 4.909 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.355 6.039 1.119 1.00 0.00 H new ATOM 495 N VAL A 32 12.885 8.593 -0.270 1.00 0.00 N ATOM 496 CA VAL A 32 13.226 9.995 -0.042 1.00 0.00 C ATOM 497 C VAL A 32 13.184 10.787 -1.346 1.00 0.00 C ATOM 498 O VAL A 32 12.822 11.965 -1.353 1.00 0.00 O ATOM 499 CB VAL A 32 14.617 10.139 0.612 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.032 11.605 0.718 1.00 0.00 C ATOM 501 CG2 VAL A 32 14.641 9.470 1.982 1.00 0.00 C ATOM 0 H VAL A 32 13.686 7.961 -0.284 1.00 0.00 H new ATOM 0 HA VAL A 32 12.480 10.400 0.642 1.00 0.00 H new ATOM 0 HB VAL A 32 15.340 9.635 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.016 11.672 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.071 12.045 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 32 14.306 12.146 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.630 9.583 2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.898 9.938 2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.411 8.410 1.873 1.00 0.00 H new ATOM 511 N LYS A 33 13.531 10.127 -2.451 1.00 0.00 N ATOM 512 CA LYS A 33 13.510 10.760 -3.766 1.00 0.00 C ATOM 513 C LYS A 33 12.082 10.802 -4.305 1.00 0.00 C ATOM 514 O LYS A 33 11.744 11.655 -5.123 1.00 0.00 O ATOM 515 CB LYS A 33 14.431 10.006 -4.731 1.00 0.00 C ATOM 516 CG LYS A 33 15.716 9.506 -4.078 1.00 0.00 C ATOM 517 CD LYS A 33 16.915 9.630 -5.007 1.00 0.00 C ATOM 518 CE LYS A 33 16.962 8.503 -6.032 1.00 0.00 C ATOM 519 NZ LYS A 33 17.802 8.855 -7.211 1.00 0.00 N ATOM 0 H LYS A 33 13.830 9.152 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 33 13.874 11.783 -3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.890 9.157 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.687 10.661 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.904 10.074 -3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.591 8.464 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.875 10.589 -5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.832 9.623 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.356 7.602 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.950 8.273 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.321 8.553 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.950 9.884 -7.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.721 8.374 -7.138 1.00 0.00 H new ATOM 533 N PHE A 34 11.244 9.883 -3.814 1.00 0.00 N ATOM 534 CA PHE A 34 9.842 9.812 -4.213 1.00 0.00 C ATOM 535 C PHE A 34 9.123 11.102 -3.801 1.00 0.00 C ATOM 536 O PHE A 34 8.735 11.898 -4.656 1.00 0.00 O ATOM 537 CB PHE A 34 9.172 8.582 -3.563 1.00 0.00 C ATOM 538 CG PHE A 34 9.339 7.292 -4.325 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.396 6.082 -3.650 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.404 7.281 -5.709 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.514 4.894 -4.338 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.525 6.097 -6.400 1.00 0.00 C ATOM 543 CZ PHE A 34 9.579 4.901 -5.716 1.00 0.00 C ATOM 0 H PHE A 34 11.519 9.174 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 34 9.777 9.707 -5.296 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.581 8.451 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.107 8.784 -3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.347 6.071 -2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.359 8.213 -6.252 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.556 3.959 -3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.578 6.105 -7.479 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.672 3.971 -6.258 1.00 0.00 H new ATOM 553 N GLU A 35 8.941 11.278 -2.484 1.00 0.00 N ATOM 554 CA GLU A 35 8.260 12.452 -1.906 1.00 0.00 C ATOM 555 C GLU A 35 8.294 13.692 -2.818 1.00 0.00 C ATOM 556 O GLU A 35 7.271 14.351 -3.007 1.00 0.00 O ATOM 557 CB GLU A 35 8.885 12.795 -0.546 1.00 0.00 C ATOM 558 CG GLU A 35 7.911 13.426 0.442 1.00 0.00 C ATOM 559 CD GLU A 35 7.872 14.940 0.348 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.856 15.586 0.767 1.00 0.00 O ATOM 561 OE2 GLU A 35 6.859 15.479 -0.144 1.00 0.00 O ATOM 0 H GLU A 35 9.262 10.609 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 35 7.211 12.178 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.295 11.886 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.720 13.477 -0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.912 13.030 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.191 13.137 1.455 1.00 0.00 H new ATOM 568 N HIS A 36 9.473 14.014 -3.362 1.00 0.00 N ATOM 569 CA HIS A 36 9.638 15.188 -4.237 1.00 0.00 C ATOM 570 C HIS A 36 8.639 15.192 -5.400 1.00 0.00 C ATOM 571 O HIS A 36 7.864 16.136 -5.560 1.00 0.00 O ATOM 572 CB HIS A 36 11.062 15.247 -4.810 1.00 0.00 C ATOM 573 CG HIS A 36 12.146 15.014 -3.811 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.300 15.757 -2.660 1.00 0.00 N ATOM 575 CD2 HIS A 36 13.142 14.106 -3.811 1.00 0.00 C ATOM 576 CE1 HIS A 36 13.352 15.314 -1.994 1.00 0.00 C ATOM 577 NE2 HIS A 36 13.881 14.311 -2.672 1.00 0.00 N ATOM 0 H HIS A 36 10.329 13.480 -3.214 1.00 0.00 H new ATOM 0 HA HIS A 36 9.449 16.063 -3.615 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.151 14.504 -5.603 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.214 16.224 -5.270 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.325 13.356 -4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.717 15.705 -1.056 1.00 0.00 H new ATOM 0 HE2 HIS A 36 14.704 13.776 -2.395 1.00 0.00 H new ATOM 586 N HIS A 37 8.682 14.138 -6.216 1.00 0.00 N ATOM 587 CA HIS A 37 7.802 14.015 -7.385 1.00 0.00 C ATOM 588 C HIS A 37 6.389 13.600 -6.985 1.00 0.00 C ATOM 589 O HIS A 37 5.429 13.851 -7.712 1.00 0.00 O ATOM 590 CB HIS A 37 8.367 12.992 -8.374 1.00 0.00 C ATOM 591 CG HIS A 37 9.843 12.984 -8.416 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.733 12.255 -7.714 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.566 13.824 -9.214 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 11.979 12.668 -8.101 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 11.842 13.618 -9.007 1.00 0.00 N flip ATOM 0 H HIS A 37 9.320 13.352 -6.090 1.00 0.00 H new ATOM 0 HA HIS A 37 7.753 14.996 -7.857 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.011 11.998 -8.103 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.982 13.207 -9.371 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.519 11.533 -7.026 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.151 14.543 -9.905 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.916 12.282 -7.728 1.00 0.00 H new ATOM 604 N PHE A 38 6.277 12.939 -5.836 1.00 0.00 N ATOM 605 CA PHE A 38 4.992 12.458 -5.341 1.00 0.00 C ATOM 606 C PHE A 38 4.135 13.594 -4.769 1.00 0.00 C ATOM 607 O PHE A 38 2.909 13.485 -4.723 1.00 0.00 O ATOM 608 CB PHE A 38 5.222 11.372 -4.282 1.00 0.00 C ATOM 609 CG PHE A 38 5.728 10.055 -4.835 1.00 0.00 C ATOM 610 CD1 PHE A 38 6.242 9.955 -6.132 1.00 0.00 C ATOM 611 CD2 PHE A 38 5.668 8.902 -4.057 1.00 0.00 C ATOM 612 CE1 PHE A 38 6.675 8.742 -6.624 1.00 0.00 C ATOM 613 CE2 PHE A 38 6.109 7.693 -4.549 1.00 0.00 C ATOM 614 CZ PHE A 38 6.609 7.613 -5.832 1.00 0.00 C ATOM 0 H PHE A 38 7.067 12.724 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 38 4.443 12.036 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.938 11.743 -3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.286 11.194 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.300 10.836 -6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.270 8.956 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.066 8.675 -7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.063 6.809 -3.931 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.950 6.664 -6.218 1.00 0.00 H new ATOM 624 N GLU A 39 4.781 14.682 -4.339 1.00 0.00 N ATOM 625 CA GLU A 39 4.067 15.830 -3.775 1.00 0.00 C ATOM 626 C GLU A 39 3.663 16.830 -4.863 1.00 0.00 C ATOM 627 O GLU A 39 2.663 17.535 -4.720 1.00 0.00 O ATOM 628 CB GLU A 39 4.933 16.525 -2.717 1.00 0.00 C ATOM 629 CG GLU A 39 4.139 17.365 -1.723 1.00 0.00 C ATOM 630 CD GLU A 39 4.057 18.828 -2.118 1.00 0.00 C ATOM 631 OE1 GLU A 39 2.959 19.277 -2.510 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.090 19.525 -2.034 1.00 0.00 O ATOM 0 H GLU A 39 5.795 14.791 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 39 3.156 15.458 -3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.497 15.770 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.659 17.164 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.131 16.960 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.600 17.285 -0.738 1.00 0.00 H new ATOM 639 N GLU A 40 4.446 16.894 -5.945 1.00 0.00 N ATOM 640 CA GLU A 40 4.162 17.818 -7.046 1.00 0.00 C ATOM 641 C GLU A 40 2.815 17.514 -7.711 1.00 0.00 C ATOM 642 O GLU A 40 2.150 18.422 -8.212 1.00 0.00 O ATOM 643 CB GLU A 40 5.291 17.785 -8.091 1.00 0.00 C ATOM 644 CG GLU A 40 5.356 16.507 -8.919 1.00 0.00 C ATOM 645 CD GLU A 40 5.080 16.746 -10.392 1.00 0.00 C ATOM 646 OE1 GLU A 40 3.894 16.742 -10.783 1.00 0.00 O ATOM 647 OE2 GLU A 40 6.051 16.939 -11.155 1.00 0.00 O ATOM 0 H GLU A 40 5.278 16.319 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 40 4.105 18.820 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.168 18.633 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.244 17.920 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.342 16.057 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.633 15.790 -8.530 1.00 0.00 H new ATOM 654 N SER A 41 2.419 16.237 -7.714 1.00 0.00 N ATOM 655 CA SER A 41 1.153 15.829 -8.321 1.00 0.00 C ATOM 656 C SER A 41 0.288 15.034 -7.344 1.00 0.00 C ATOM 657 O SER A 41 -0.131 13.913 -7.642 1.00 0.00 O ATOM 658 CB SER A 41 1.403 15.004 -9.585 1.00 0.00 C ATOM 659 OG SER A 41 0.975 15.700 -10.743 1.00 0.00 O ATOM 0 H SER A 41 2.956 15.473 -7.304 1.00 0.00 H new ATOM 0 HA SER A 41 0.614 16.738 -8.587 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.465 14.773 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.875 14.053 -9.513 1.00 0.00 H new ATOM 0 HG SER A 41 1.725 16.211 -11.113 1.00 0.00 H new ATOM 665 N SER A 42 -0.003 15.624 -6.186 1.00 0.00 N ATOM 666 CA SER A 42 -0.849 14.966 -5.192 1.00 0.00 C ATOM 667 C SER A 42 -2.210 14.597 -5.803 1.00 0.00 C ATOM 668 O SER A 42 -2.719 13.502 -5.566 1.00 0.00 O ATOM 669 CB SER A 42 -1.046 15.865 -3.966 1.00 0.00 C ATOM 670 OG SER A 42 -1.354 15.098 -2.815 1.00 0.00 O ATOM 0 H SER A 42 0.331 16.549 -5.914 1.00 0.00 H new ATOM 0 HA SER A 42 -0.349 14.051 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.141 16.446 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.849 16.577 -4.158 1.00 0.00 H new ATOM 0 HG SER A 42 -1.473 15.695 -2.047 1.00 0.00 H new ATOM 676 N PRO A 43 -2.820 15.512 -6.604 1.00 0.00 N ATOM 677 CA PRO A 43 -4.127 15.274 -7.247 1.00 0.00 C ATOM 678 C PRO A 43 -4.164 14.053 -8.165 1.00 0.00 C ATOM 679 O PRO A 43 -5.247 13.543 -8.445 1.00 0.00 O ATOM 680 CB PRO A 43 -4.373 16.551 -8.051 1.00 0.00 C ATOM 681 CG PRO A 43 -3.533 17.579 -7.387 1.00 0.00 C ATOM 682 CD PRO A 43 -2.301 16.854 -6.940 1.00 0.00 C ATOM 0 HA PRO A 43 -4.888 15.060 -6.496 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.090 16.422 -9.096 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.426 16.831 -8.038 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.286 18.388 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.055 18.027 -6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.548 16.812 -7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.837 17.336 -6.080 1.00 0.00 H new ATOM 690 N CYS A 44 -3.001 13.540 -8.590 1.00 0.00 N ATOM 691 CA CYS A 44 -2.973 12.337 -9.420 1.00 0.00 C ATOM 692 C CYS A 44 -3.229 11.136 -8.527 1.00 0.00 C ATOM 693 O CYS A 44 -3.976 10.222 -8.879 1.00 0.00 O ATOM 694 CB CYS A 44 -1.625 12.186 -10.138 1.00 0.00 C ATOM 695 SG CYS A 44 -1.214 10.472 -10.620 1.00 0.00 S ATOM 0 H CYS A 44 -2.085 13.934 -8.375 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.743 12.411 -10.188 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.631 12.810 -11.032 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.837 12.567 -9.489 1.00 0.00 H new ATOM 700 N LEU A 45 -2.611 11.171 -7.349 1.00 0.00 N ATOM 701 CA LEU A 45 -2.771 10.108 -6.363 1.00 0.00 C ATOM 702 C LEU A 45 -4.148 10.186 -5.681 1.00 0.00 C ATOM 703 O LEU A 45 -4.485 9.317 -4.878 1.00 0.00 O ATOM 704 CB LEU A 45 -1.659 10.116 -5.291 1.00 0.00 C ATOM 705 CG LEU A 45 -0.507 11.103 -5.475 1.00 0.00 C ATOM 706 CD1 LEU A 45 0.199 11.347 -4.151 1.00 0.00 C ATOM 707 CD2 LEU A 45 0.480 10.603 -6.525 1.00 0.00 C ATOM 0 H LEU A 45 -1.993 11.927 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.693 9.171 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.124 10.318 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.237 9.113 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.922 12.047 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.017 12.052 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.509 11.759 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.596 10.406 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.290 11.324 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.890 9.643 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.033 10.484 -7.479 1.00 0.00 H new ATOM 719 N GLU A 46 -4.954 11.213 -6.013 1.00 0.00 N ATOM 720 CA GLU A 46 -6.292 11.367 -5.429 1.00 0.00 C ATOM 721 C GLU A 46 -7.377 11.030 -6.457 1.00 0.00 C ATOM 722 O GLU A 46 -8.567 11.269 -6.240 1.00 0.00 O ATOM 723 CB GLU A 46 -6.471 12.790 -4.910 1.00 0.00 C ATOM 724 CG GLU A 46 -5.325 13.239 -4.020 1.00 0.00 C ATOM 725 CD GLU A 46 -5.794 13.907 -2.740 1.00 0.00 C ATOM 726 OE1 GLU A 46 -5.407 15.071 -2.501 1.00 0.00 O ATOM 727 OE2 GLU A 46 -6.547 13.267 -1.976 1.00 0.00 O ATOM 0 H GLU A 46 -4.700 11.942 -6.679 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.390 10.671 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.557 13.472 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.405 12.854 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.708 12.376 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.692 13.932 -4.574 1.00 0.00 H new ATOM 734 N LYS A 47 -6.935 10.407 -7.540 1.00 0.00 N ATOM 735 CA LYS A 47 -7.838 9.941 -8.597 1.00 0.00 C ATOM 736 C LYS A 47 -8.174 8.475 -8.369 1.00 0.00 C ATOM 737 O LYS A 47 -9.343 8.088 -8.333 1.00 0.00 O ATOM 738 CB LYS A 47 -7.244 10.101 -10.004 1.00 0.00 C ATOM 739 CG LYS A 47 -7.519 11.453 -10.636 1.00 0.00 C ATOM 740 CD LYS A 47 -6.269 12.308 -10.656 1.00 0.00 C ATOM 741 CE LYS A 47 -5.644 12.372 -12.045 1.00 0.00 C ATOM 742 NZ LYS A 47 -6.521 13.070 -13.031 1.00 0.00 N ATOM 0 H LYS A 47 -5.950 10.209 -7.716 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.733 10.561 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.166 9.947 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.647 9.320 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.886 11.315 -11.653 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.305 11.965 -10.081 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.514 13.316 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.543 11.905 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.686 12.888 -11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.440 11.360 -12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.644 12.470 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.449 13.256 -12.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.082 13.971 -13.310 1.00 0.00 H new ATOM 756 N TYR A 48 -7.125 7.669 -8.229 1.00 0.00 N ATOM 757 CA TYR A 48 -7.273 6.231 -8.017 1.00 0.00 C ATOM 758 C TYR A 48 -7.013 5.838 -6.558 1.00 0.00 C ATOM 759 O TYR A 48 -7.246 4.690 -6.176 1.00 0.00 O ATOM 760 CB TYR A 48 -6.327 5.477 -8.957 1.00 0.00 C ATOM 761 CG TYR A 48 -6.459 5.910 -10.406 1.00 0.00 C ATOM 762 CD1 TYR A 48 -7.322 5.253 -11.276 1.00 0.00 C ATOM 763 CD2 TYR A 48 -5.732 6.991 -10.896 1.00 0.00 C ATOM 764 CE1 TYR A 48 -7.454 5.659 -12.592 1.00 0.00 C ATOM 765 CE2 TYR A 48 -5.858 7.401 -12.209 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.721 6.733 -13.053 1.00 0.00 C ATOM 767 OH TYR A 48 -6.850 7.139 -14.362 1.00 0.00 O ATOM 0 H TYR A 48 -6.157 7.989 -8.259 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.304 5.957 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.299 5.632 -8.630 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.527 4.408 -8.884 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.898 4.412 -10.919 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.057 7.519 -10.238 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.128 5.137 -13.256 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.284 8.240 -12.573 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.266 7.909 -14.525 1.00 0.00 H new ATOM 777 N GLY A 49 -6.531 6.787 -5.744 1.00 0.00 N ATOM 778 CA GLY A 49 -6.256 6.501 -4.350 1.00 0.00 C ATOM 779 C GLY A 49 -4.845 6.000 -4.136 1.00 0.00 C ATOM 780 O GLY A 49 -4.621 5.060 -3.371 1.00 0.00 O ATOM 0 H GLY A 49 -6.329 7.744 -6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.413 7.403 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.963 5.755 -3.988 1.00 0.00 H new ATOM 784 N LEU A 50 -3.892 6.627 -4.825 1.00 0.00 N ATOM 785 CA LEU A 50 -2.491 6.243 -4.726 1.00 0.00 C ATOM 786 C LEU A 50 -1.773 7.002 -3.614 1.00 0.00 C ATOM 787 O LEU A 50 -0.759 6.529 -3.103 1.00 0.00 O ATOM 788 CB LEU A 50 -1.790 6.491 -6.065 1.00 0.00 C ATOM 789 CG LEU A 50 -0.959 5.325 -6.610 1.00 0.00 C ATOM 790 CD1 LEU A 50 -1.771 4.034 -6.637 1.00 0.00 C ATOM 791 CD2 LEU A 50 -0.451 5.670 -7.998 1.00 0.00 C ATOM 0 H LEU A 50 -4.069 7.406 -5.459 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.452 5.182 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.546 6.751 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.138 7.358 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.109 5.162 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.155 3.225 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.095 3.787 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.644 4.167 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.140 4.840 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.297 5.853 -8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.169 6.565 -7.946 1.00 0.00 H new ATOM 803 N GLU A 51 -2.289 8.181 -3.243 1.00 0.00 N ATOM 804 CA GLU A 51 -1.658 8.983 -2.184 1.00 0.00 C ATOM 805 C GLU A 51 -1.378 8.104 -0.964 1.00 0.00 C ATOM 806 O GLU A 51 -0.242 7.965 -0.518 1.00 0.00 O ATOM 807 CB GLU A 51 -2.521 10.184 -1.763 1.00 0.00 C ATOM 808 CG GLU A 51 -3.990 10.027 -2.081 1.00 0.00 C ATOM 809 CD GLU A 51 -4.895 10.644 -1.030 1.00 0.00 C ATOM 810 OE1 GLU A 51 -5.863 9.973 -0.614 1.00 0.00 O ATOM 811 OE2 GLU A 51 -4.636 11.796 -0.623 1.00 0.00 O ATOM 0 H GLU A 51 -3.127 8.596 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.725 9.375 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.407 10.342 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.146 11.079 -2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.198 10.487 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.224 8.967 -2.176 1.00 0.00 H new ATOM 818 N GLN A 52 -2.453 7.508 -0.461 1.00 0.00 N ATOM 819 CA GLN A 52 -2.406 6.617 0.701 1.00 0.00 C ATOM 820 C GLN A 52 -1.322 5.553 0.542 1.00 0.00 C ATOM 821 O GLN A 52 -0.651 5.195 1.507 1.00 0.00 O ATOM 822 CB GLN A 52 -3.760 5.926 0.930 1.00 0.00 C ATOM 823 CG GLN A 52 -4.970 6.784 0.584 1.00 0.00 C ATOM 824 CD GLN A 52 -5.955 6.909 1.733 1.00 0.00 C ATOM 825 OE1 GLN A 52 -5.897 7.861 2.512 1.00 0.00 O ATOM 826 NE2 GLN A 52 -6.867 5.947 1.846 1.00 0.00 N ATOM 0 H GLN A 52 -3.389 7.628 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.171 7.238 1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.794 5.014 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.829 5.626 1.976 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.632 7.778 0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.479 6.354 -0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.880 5.176 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.553 5.981 2.600 1.00 0.00 H new ATOM 835 N ALA A 53 -1.161 5.043 -0.677 1.00 0.00 N ATOM 836 CA ALA A 53 -0.156 4.008 -0.934 1.00 0.00 C ATOM 837 C ALA A 53 1.254 4.591 -1.065 1.00 0.00 C ATOM 838 O ALA A 53 2.167 4.171 -0.355 1.00 0.00 O ATOM 839 CB ALA A 53 -0.510 3.186 -2.165 1.00 0.00 C ATOM 0 H ALA A 53 -1.704 5.323 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.159 3.348 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.255 2.427 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.475 2.702 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.564 3.840 -3.036 1.00 0.00 H new ATOM 845 N VAL A 54 1.440 5.545 -1.979 1.00 0.00 N ATOM 846 CA VAL A 54 2.757 6.156 -2.191 1.00 0.00 C ATOM 847 C VAL A 54 3.309 6.784 -0.908 1.00 0.00 C ATOM 848 O VAL A 54 4.517 6.731 -0.671 1.00 0.00 O ATOM 849 CB VAL A 54 2.739 7.184 -3.348 1.00 0.00 C ATOM 850 CG1 VAL A 54 2.410 6.488 -4.662 1.00 0.00 C ATOM 851 CG2 VAL A 54 1.760 8.318 -3.083 1.00 0.00 C ATOM 0 H VAL A 54 0.702 5.910 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 54 3.430 5.349 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 54 3.734 7.625 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.400 7.220 -5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.164 5.729 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.430 6.016 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.778 9.017 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.755 7.912 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.045 8.838 -2.169 1.00 0.00 H new ATOM 861 N LYS A 55 2.432 7.335 -0.058 1.00 0.00 N ATOM 862 CA LYS A 55 2.880 7.908 1.220 1.00 0.00 C ATOM 863 C LYS A 55 3.624 6.822 1.998 1.00 0.00 C ATOM 864 O LYS A 55 4.651 7.066 2.632 1.00 0.00 O ATOM 865 CB LYS A 55 1.693 8.404 2.070 1.00 0.00 C ATOM 866 CG LYS A 55 0.875 9.553 1.478 1.00 0.00 C ATOM 867 CD LYS A 55 1.579 10.259 0.322 1.00 0.00 C ATOM 868 CE LYS A 55 0.815 11.496 -0.131 1.00 0.00 C ATOM 869 NZ LYS A 55 1.032 12.654 0.782 1.00 0.00 N ATOM 0 H LYS A 55 1.428 7.396 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 55 3.525 8.761 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.023 7.563 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.075 8.719 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.083 9.167 1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.660 10.279 2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.585 10.545 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.685 9.569 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.128 11.766 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.250 11.267 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.494 13.474 0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.709 12.407 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.044 12.890 0.808 1.00 0.00 H new ATOM 883 N LYS A 56 3.062 5.615 1.916 1.00 0.00 N ATOM 884 CA LYS A 56 3.612 4.439 2.579 1.00 0.00 C ATOM 885 C LYS A 56 4.957 4.054 1.963 1.00 0.00 C ATOM 886 O LYS A 56 5.885 3.684 2.682 1.00 0.00 O ATOM 887 CB LYS A 56 2.613 3.282 2.529 1.00 0.00 C ATOM 888 CG LYS A 56 1.682 3.203 3.742 1.00 0.00 C ATOM 889 CD LYS A 56 1.399 4.572 4.373 1.00 0.00 C ATOM 890 CE LYS A 56 -0.052 4.999 4.206 1.00 0.00 C ATOM 891 NZ LYS A 56 -0.684 5.358 5.507 1.00 0.00 N ATOM 0 H LYS A 56 2.211 5.428 1.386 1.00 0.00 H new ATOM 0 HA LYS A 56 3.789 4.677 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.009 3.378 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.163 2.345 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.739 2.747 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.127 2.549 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.645 4.538 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.049 5.320 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.103 5.853 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.616 4.191 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.671 5.643 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.660 4.536 6.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.163 6.147 5.940 1.00 0.00 H new ATOM 905 N LEU A 57 5.075 4.169 0.635 1.00 0.00 N ATOM 906 CA LEU A 57 6.337 3.860 -0.048 1.00 0.00 C ATOM 907 C LEU A 57 7.429 4.806 0.420 1.00 0.00 C ATOM 908 O LEU A 57 8.577 4.409 0.602 1.00 0.00 O ATOM 909 CB LEU A 57 6.201 3.989 -1.563 1.00 0.00 C ATOM 910 CG LEU A 57 5.088 3.171 -2.212 1.00 0.00 C ATOM 911 CD1 LEU A 57 5.399 2.962 -3.687 1.00 0.00 C ATOM 912 CD2 LEU A 57 4.904 1.830 -1.515 1.00 0.00 C ATOM 0 H LEU A 57 4.321 4.470 0.017 1.00 0.00 H new ATOM 0 HA LEU A 57 6.595 2.830 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.039 5.040 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.148 3.700 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 57 4.154 3.725 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.602 2.378 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.473 3.929 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.345 2.429 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.104 1.273 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.831 1.259 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.645 1.996 -0.469 1.00 0.00 H new ATOM 924 N VAL A 58 7.047 6.064 0.615 1.00 0.00 N ATOM 925 CA VAL A 58 7.982 7.091 1.074 1.00 0.00 C ATOM 926 C VAL A 58 8.366 6.860 2.544 1.00 0.00 C ATOM 927 O VAL A 58 9.475 7.184 2.972 1.00 0.00 O ATOM 928 CB VAL A 58 7.373 8.509 0.922 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.257 9.567 1.579 1.00 0.00 C ATOM 930 CG2 VAL A 58 7.140 8.839 -0.548 1.00 0.00 C ATOM 0 H VAL A 58 6.096 6.399 0.463 1.00 0.00 H new ATOM 0 HA VAL A 58 8.875 7.020 0.452 1.00 0.00 H new ATOM 0 HB VAL A 58 6.411 8.515 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.802 10.550 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.360 9.347 2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.241 9.561 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.712 9.838 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.089 8.803 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.452 8.112 -0.980 1.00 0.00 H new ATOM 940 N LYS A 59 7.416 6.314 3.301 1.00 0.00 N ATOM 941 CA LYS A 59 7.564 6.033 4.722 1.00 0.00 C ATOM 942 C LYS A 59 8.745 5.118 5.056 1.00 0.00 C ATOM 943 O LYS A 59 9.330 5.231 6.135 1.00 0.00 O ATOM 944 CB LYS A 59 6.279 5.370 5.179 1.00 0.00 C ATOM 945 CG LYS A 59 6.150 5.172 6.668 1.00 0.00 C ATOM 946 CD LYS A 59 4.720 4.805 6.985 1.00 0.00 C ATOM 947 CE LYS A 59 4.521 3.294 7.031 1.00 0.00 C ATOM 948 NZ LYS A 59 3.159 2.924 7.509 1.00 0.00 N ATOM 0 H LYS A 59 6.502 6.050 2.932 1.00 0.00 H new ATOM 0 HA LYS A 59 7.763 6.975 5.233 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.437 5.971 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.198 4.398 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.826 4.386 7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.433 6.083 7.196 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.437 5.238 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.059 5.236 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.682 2.877 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.269 2.850 7.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.161 1.935 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.888 3.545 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.477 3.034 6.732 1.00 0.00 H new ATOM 962 N ARG A 60 9.062 4.182 4.162 1.00 0.00 N ATOM 963 CA ARG A 60 10.142 3.227 4.426 1.00 0.00 C ATOM 964 C ARG A 60 11.539 3.861 4.350 1.00 0.00 C ATOM 965 O ARG A 60 12.250 3.892 5.352 1.00 0.00 O ATOM 966 CB ARG A 60 10.027 1.995 3.516 1.00 0.00 C ATOM 967 CG ARG A 60 10.187 2.276 2.034 1.00 0.00 C ATOM 968 CD ARG A 60 9.275 1.394 1.205 1.00 0.00 C ATOM 969 NE ARG A 60 9.268 1.776 -0.209 1.00 0.00 N ATOM 970 CZ ARG A 60 8.695 1.058 -1.180 1.00 0.00 C ATOM 971 NH1 ARG A 60 8.080 -0.086 -0.903 1.00 0.00 N ATOM 972 NH2 ARG A 60 8.739 1.490 -2.434 1.00 0.00 N ATOM 0 H ARG A 60 8.596 4.063 3.262 1.00 0.00 H new ATOM 0 HA ARG A 60 10.019 2.898 5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.782 1.268 3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.055 1.531 3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.963 3.324 1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.223 2.110 1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.595 0.356 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.261 1.451 1.600 1.00 0.00 H new ATOM 0 HE ARG A 60 9.731 2.647 -0.470 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.042 -0.425 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.646 -0.626 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.209 2.368 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.303 0.944 -3.177 1.00 0.00 H new ATOM 986 N ALA A 61 11.938 4.372 3.180 1.00 0.00 N ATOM 987 CA ALA A 61 13.258 4.998 3.023 1.00 0.00 C ATOM 988 C ALA A 61 14.399 4.049 3.413 1.00 0.00 C ATOM 989 O ALA A 61 14.163 2.931 3.871 1.00 0.00 O ATOM 990 CB ALA A 61 13.330 6.281 3.844 1.00 0.00 C ATOM 0 H ALA A 61 11.371 4.365 2.332 1.00 0.00 H new ATOM 0 HA ALA A 61 13.384 5.237 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.312 6.737 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.562 6.975 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.167 6.049 4.897 1.00 0.00 H new ATOM 996 N ALA A 62 15.641 4.510 3.225 1.00 0.00 N ATOM 997 CA ALA A 62 16.821 3.712 3.556 1.00 0.00 C ATOM 998 C ALA A 62 16.959 3.529 5.067 1.00 0.00 C ATOM 999 O ALA A 62 16.749 4.470 5.836 1.00 0.00 O ATOM 1000 CB ALA A 62 18.076 4.360 2.984 1.00 0.00 C ATOM 0 H ALA A 62 15.852 5.433 2.845 1.00 0.00 H new ATOM 0 HA ALA A 62 16.697 2.726 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 62 18.946 3.755 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.987 4.430 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 62 18.193 5.359 3.404 1.00 0.00 H new ATOM 1006 N GLY A 63 17.304 2.309 5.487 1.00 0.00 N ATOM 1007 CA GLY A 63 17.456 2.016 6.905 1.00 0.00 C ATOM 1008 C GLY A 63 16.210 1.384 7.504 1.00 0.00 C ATOM 1009 O GLY A 63 16.300 0.392 8.229 1.00 0.00 O ATOM 0 H GLY A 63 17.481 1.518 4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.304 1.345 7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.686 2.937 7.441 1.00 0.00 H new ATOM 1013 N GLN A 64 15.046 1.962 7.198 1.00 0.00 N ATOM 1014 CA GLN A 64 13.769 1.459 7.704 1.00 0.00 C ATOM 1015 C GLN A 64 13.277 0.275 6.866 1.00 0.00 C ATOM 1016 O GLN A 64 14.089 -0.478 6.324 1.00 0.00 O ATOM 1017 CB GLN A 64 12.738 2.601 7.730 1.00 0.00 C ATOM 1018 CG GLN A 64 11.953 2.690 9.031 1.00 0.00 C ATOM 1019 CD GLN A 64 10.780 3.650 8.945 1.00 0.00 C ATOM 1020 OE1 GLN A 64 9.655 3.245 8.651 1.00 0.00 O ATOM 1021 NE2 GLN A 64 11.035 4.930 9.202 1.00 0.00 N ATOM 0 H GLN A 64 14.963 2.783 6.599 1.00 0.00 H new ATOM 0 HA GLN A 64 13.906 1.095 8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.253 3.547 7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.040 2.467 6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.587 1.699 9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.620 3.009 9.832 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.982 5.223 9.442 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.283 5.618 9.159 1.00 0.00 H new ATOM 1030 N ASP A 65 11.951 0.107 6.761 1.00 0.00 N ATOM 1031 CA ASP A 65 11.364 -0.990 5.985 1.00 0.00 C ATOM 1032 C ASP A 65 12.003 -1.104 4.595 1.00 0.00 C ATOM 1033 O ASP A 65 11.967 -2.172 3.982 1.00 0.00 O ATOM 1034 CB ASP A 65 9.848 -0.793 5.848 1.00 0.00 C ATOM 1035 CG ASP A 65 9.092 -1.220 7.093 1.00 0.00 C ATOM 1036 OD1 ASP A 65 8.707 -2.405 7.178 1.00 0.00 O ATOM 1037 OD2 ASP A 65 8.886 -0.368 7.984 1.00 0.00 O ATOM 0 H ASP A 65 11.266 0.718 7.205 1.00 0.00 H new ATOM 0 HA ASP A 65 11.561 -1.917 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.638 0.257 5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.486 -1.364 4.993 1.00 0.00 H new ATOM 1042 N ASP A 66 12.608 -0.003 4.119 1.00 0.00 N ATOM 1043 CA ASP A 66 13.285 0.043 2.812 1.00 0.00 C ATOM 1044 C ASP A 66 12.350 -0.268 1.630 1.00 0.00 C ATOM 1045 O ASP A 66 12.185 0.555 0.730 1.00 0.00 O ATOM 1046 CB ASP A 66 14.478 -0.915 2.802 1.00 0.00 C ATOM 1047 CG ASP A 66 15.773 -0.246 3.223 1.00 0.00 C ATOM 1048 OD1 ASP A 66 16.799 -0.453 2.540 1.00 0.00 O ATOM 1049 OD2 ASP A 66 15.763 0.481 4.238 1.00 0.00 O ATOM 0 H ASP A 66 12.642 0.880 4.629 1.00 0.00 H new ATOM 0 HA ASP A 66 13.628 1.069 2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.272 -1.751 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.597 -1.329 1.801 1.00 0.00 H new ATOM 1054 N VAL A 67 11.767 -1.465 1.635 1.00 0.00 N ATOM 1055 CA VAL A 67 10.864 -1.927 0.575 1.00 0.00 C ATOM 1056 C VAL A 67 10.550 -3.411 0.782 1.00 0.00 C ATOM 1057 O VAL A 67 11.347 -4.282 0.428 1.00 0.00 O ATOM 1058 CB VAL A 67 11.459 -1.698 -0.847 1.00 0.00 C ATOM 1059 CG1 VAL A 67 12.944 -2.051 -0.891 1.00 0.00 C ATOM 1060 CG2 VAL A 67 10.679 -2.472 -1.908 1.00 0.00 C ATOM 0 H VAL A 67 11.907 -2.149 2.379 1.00 0.00 H new ATOM 0 HA VAL A 67 9.948 -1.340 0.638 1.00 0.00 H new ATOM 0 HB VAL A 67 11.363 -0.636 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.329 -1.880 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.488 -1.425 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.077 -3.100 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.120 -2.290 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.719 -3.538 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.641 -2.141 -1.910 1.00 0.00 H new ATOM 1070 N PRO A 68 9.382 -3.717 1.384 1.00 0.00 N ATOM 1071 CA PRO A 68 8.968 -5.095 1.660 1.00 0.00 C ATOM 1072 C PRO A 68 8.637 -5.904 0.410 1.00 0.00 C ATOM 1073 O PRO A 68 8.371 -7.104 0.502 1.00 0.00 O ATOM 1074 CB PRO A 68 7.726 -4.931 2.541 1.00 0.00 C ATOM 1075 CG PRO A 68 7.200 -3.578 2.218 1.00 0.00 C ATOM 1076 CD PRO A 68 8.386 -2.739 1.858 1.00 0.00 C ATOM 0 HA PRO A 68 9.776 -5.656 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.987 -5.703 2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.978 -5.014 3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.491 -3.624 1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.669 -3.154 3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.141 -2.012 1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.754 -2.178 2.717 1.00 0.00 H new ATOM 1084 N GLY A 69 8.622 -5.249 -0.752 1.00 0.00 N ATOM 1085 CA GLY A 69 8.281 -5.943 -1.979 1.00 0.00 C ATOM 1086 C GLY A 69 6.782 -6.139 -2.103 1.00 0.00 C ATOM 1087 O GLY A 69 6.267 -6.387 -3.193 1.00 0.00 O ATOM 0 H GLY A 69 8.839 -4.258 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.648 -5.375 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.780 -6.912 -2.002 1.00 0.00 H new ATOM 1091 N ASP A 70 6.081 -6.010 -0.969 1.00 0.00 N ATOM 1092 CA ASP A 70 4.638 -6.151 -0.924 1.00 0.00 C ATOM 1093 C ASP A 70 3.967 -4.820 -1.225 1.00 0.00 C ATOM 1094 O ASP A 70 2.834 -4.802 -1.697 1.00 0.00 O ATOM 1095 CB ASP A 70 4.191 -6.680 0.443 1.00 0.00 C ATOM 1096 CG ASP A 70 2.794 -7.273 0.412 1.00 0.00 C ATOM 1097 OD1 ASP A 70 2.668 -8.481 0.120 1.00 0.00 O ATOM 1098 OD2 ASP A 70 1.827 -6.529 0.681 1.00 0.00 O ATOM 0 H ASP A 70 6.506 -5.806 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 70 4.337 -6.871 -1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.896 -7.439 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.221 -5.868 1.170 1.00 0.00 H new ATOM 1103 N LEU A 71 4.670 -3.698 -0.988 1.00 0.00 N ATOM 1104 CA LEU A 71 4.087 -2.393 -1.300 1.00 0.00 C ATOM 1105 C LEU A 71 4.319 -2.094 -2.763 1.00 0.00 C ATOM 1106 O LEU A 71 3.399 -1.708 -3.481 1.00 0.00 O ATOM 1107 CB LEU A 71 4.661 -1.259 -0.450 1.00 0.00 C ATOM 1108 CG LEU A 71 4.581 -1.465 1.062 1.00 0.00 C ATOM 1109 CD1 LEU A 71 5.528 -0.503 1.767 1.00 0.00 C ATOM 1110 CD2 LEU A 71 3.143 -1.282 1.560 1.00 0.00 C ATOM 0 H LEU A 71 5.611 -3.672 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 71 3.023 -2.447 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.706 -1.115 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.136 -0.338 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 71 4.885 -2.486 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.466 -0.655 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.549 -0.687 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.248 0.523 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.110 -1.433 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.802 -0.274 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.494 -2.008 1.072 1.00 0.00 H new ATOM 1122 N ARG A 72 5.560 -2.302 -3.206 1.00 0.00 N ATOM 1123 CA ARG A 72 5.927 -2.086 -4.600 1.00 0.00 C ATOM 1124 C ARG A 72 5.028 -2.926 -5.505 1.00 0.00 C ATOM 1125 O ARG A 72 4.297 -2.400 -6.338 1.00 0.00 O ATOM 1126 CB ARG A 72 7.392 -2.464 -4.813 1.00 0.00 C ATOM 1127 CG ARG A 72 7.910 -2.199 -6.215 1.00 0.00 C ATOM 1128 CD ARG A 72 8.084 -3.484 -7.013 1.00 0.00 C ATOM 1129 NE ARG A 72 8.882 -4.484 -6.295 1.00 0.00 N ATOM 1130 CZ ARG A 72 10.216 -4.458 -6.196 1.00 0.00 C ATOM 1131 NH1 ARG A 72 10.921 -3.483 -6.764 1.00 0.00 N ATOM 1132 NH2 ARG A 72 10.846 -5.414 -5.523 1.00 0.00 N ATOM 0 H ARG A 72 6.328 -2.621 -2.615 1.00 0.00 H new ATOM 0 HA ARG A 72 5.795 -1.033 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.005 -1.910 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.518 -3.523 -4.586 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.218 -1.539 -6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.865 -1.677 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.104 -3.902 -7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.564 -3.255 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 72 8.386 -5.251 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.445 -2.744 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.938 -3.474 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.313 -6.165 -5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.863 -5.398 -5.445 1.00 0.00 H new ATOM 1146 N ALA A 73 5.109 -4.243 -5.333 1.00 0.00 N ATOM 1147 CA ALA A 73 4.316 -5.185 -6.130 1.00 0.00 C ATOM 1148 C ALA A 73 2.860 -4.747 -6.153 1.00 0.00 C ATOM 1149 O ALA A 73 2.141 -4.951 -7.132 1.00 0.00 O ATOM 1150 CB ALA A 73 4.442 -6.597 -5.571 1.00 0.00 C ATOM 0 H ALA A 73 5.718 -4.687 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 73 4.697 -5.189 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.847 -7.282 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.487 -6.906 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.082 -6.614 -4.542 1.00 0.00 H new ATOM 1156 N LYS A 74 2.452 -4.132 -5.050 1.00 0.00 N ATOM 1157 CA LYS A 74 1.101 -3.635 -4.892 1.00 0.00 C ATOM 1158 C LYS A 74 0.922 -2.326 -5.651 1.00 0.00 C ATOM 1159 O LYS A 74 -0.109 -2.109 -6.287 1.00 0.00 O ATOM 1160 CB LYS A 74 0.784 -3.438 -3.418 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.660 -3.759 -3.050 1.00 0.00 C ATOM 1162 CD LYS A 74 -0.769 -5.066 -2.274 1.00 0.00 C ATOM 1163 CE LYS A 74 -0.908 -6.267 -3.201 1.00 0.00 C ATOM 1164 NZ LYS A 74 -1.021 -7.545 -2.445 1.00 0.00 N ATOM 0 H LYS A 74 3.053 -3.966 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 74 0.410 -4.370 -5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.448 -4.068 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.997 -2.404 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.072 -2.946 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.261 -3.824 -3.957 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.114 -5.191 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.629 -5.021 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.789 -6.139 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.045 -6.314 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.114 -8.337 -3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.170 -7.681 -1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.859 -7.511 -1.830 1.00 0.00 H new ATOM 1178 N VAL A 75 1.939 -1.459 -5.590 1.00 0.00 N ATOM 1179 CA VAL A 75 1.873 -0.180 -6.291 1.00 0.00 C ATOM 1180 C VAL A 75 2.038 -0.395 -7.794 1.00 0.00 C ATOM 1181 O VAL A 75 1.203 0.065 -8.571 1.00 0.00 O ATOM 1182 CB VAL A 75 2.884 0.873 -5.749 1.00 0.00 C ATOM 1183 CG1 VAL A 75 4.303 0.619 -6.237 1.00 0.00 C ATOM 1184 CG2 VAL A 75 2.429 2.281 -6.121 1.00 0.00 C ATOM 0 H VAL A 75 2.802 -1.619 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 75 0.885 0.239 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 75 2.902 0.778 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.969 1.380 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.632 -0.365 -5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.326 0.660 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.144 3.008 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.370 2.369 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.448 2.473 -5.687 1.00 0.00 H new ATOM 1194 N MET A 76 3.102 -1.094 -8.216 1.00 0.00 N ATOM 1195 CA MET A 76 3.322 -1.352 -9.643 1.00 0.00 C ATOM 1196 C MET A 76 2.093 -2.024 -10.245 1.00 0.00 C ATOM 1197 O MET A 76 1.561 -1.576 -11.261 1.00 0.00 O ATOM 1198 CB MET A 76 4.553 -2.233 -9.857 1.00 0.00 C ATOM 1199 CG MET A 76 5.826 -1.700 -9.208 1.00 0.00 C ATOM 1200 SD MET A 76 7.271 -1.834 -10.282 1.00 0.00 S ATOM 1201 CE MET A 76 7.317 -3.600 -10.585 1.00 0.00 C ATOM 0 H MET A 76 3.813 -1.485 -7.598 1.00 0.00 H new ATOM 0 HA MET A 76 3.493 -0.397 -10.140 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.347 -3.228 -9.462 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.724 -2.344 -10.928 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.678 -0.655 -8.935 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.014 -2.248 -8.285 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.251 -3.859 -11.083 1.00 0.00 H new ATOM 0 HE2 MET A 76 7.251 -4.134 -9.637 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.477 -3.882 -11.220 1.00 0.00 H new ATOM 1211 N GLY A 77 1.641 -3.094 -9.589 1.00 0.00 N ATOM 1212 CA GLY A 77 0.461 -3.808 -10.045 1.00 0.00 C ATOM 1213 C GLY A 77 -0.752 -2.905 -10.088 1.00 0.00 C ATOM 1214 O GLY A 77 -1.642 -3.089 -10.920 1.00 0.00 O ATOM 0 H GLY A 77 2.073 -3.478 -8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.645 -4.220 -11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.265 -4.650 -9.382 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.762 -1.893 -9.211 1.00 0.00 N ATOM 1219 CA ARG A 78 -1.839 -0.922 -9.178 1.00 0.00 C ATOM 1220 C ARG A 78 -1.696 -0.003 -10.372 1.00 0.00 C ATOM 1221 O ARG A 78 -2.680 0.300 -11.033 1.00 0.00 O ATOM 1222 CB ARG A 78 -1.827 -0.127 -7.879 1.00 0.00 C ATOM 1223 CG ARG A 78 -3.053 0.759 -7.681 1.00 0.00 C ATOM 1224 CD ARG A 78 -3.784 0.432 -6.387 1.00 0.00 C ATOM 1225 NE ARG A 78 -4.637 1.536 -5.940 1.00 0.00 N ATOM 1226 CZ ARG A 78 -5.484 1.460 -4.909 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -5.608 0.332 -4.215 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -6.214 2.517 -4.573 1.00 0.00 N ATOM 0 H ARG A 78 -0.031 -1.734 -8.518 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.796 -1.443 -9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.754 -0.821 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.933 0.497 -7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.748 1.805 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.732 0.633 -8.524 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.393 -0.460 -6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.057 0.199 -5.609 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.581 2.419 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.054 -0.486 -4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.257 0.285 -3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.128 3.385 -5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.861 2.461 -3.786 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.452 0.399 -10.686 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.222 1.228 -11.863 1.00 0.00 C ATOM 1244 C LEU A 79 -0.823 0.488 -13.043 1.00 0.00 C ATOM 1245 O LEU A 79 -1.657 1.014 -13.772 1.00 0.00 O ATOM 1246 CB LEU A 79 1.277 1.472 -12.106 1.00 0.00 C ATOM 1247 CG LEU A 79 1.658 1.766 -13.572 1.00 0.00 C ATOM 1248 CD1 LEU A 79 2.796 2.774 -13.664 1.00 0.00 C ATOM 1249 CD2 LEU A 79 2.011 0.481 -14.320 1.00 0.00 C ATOM 0 H LEU A 79 0.385 0.166 -10.151 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.681 2.207 -11.723 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.599 2.310 -11.487 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.832 0.596 -11.770 1.00 0.00 H new ATOM 0 HG LEU A 79 0.784 2.208 -14.050 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.037 2.956 -14.711 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.493 3.709 -13.193 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.674 2.379 -13.153 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.275 0.720 -15.350 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.857 -0.004 -13.832 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.153 -0.192 -14.312 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.375 -0.758 -13.200 1.00 0.00 N ATOM 1262 CA ASP A 80 -0.839 -1.630 -14.267 1.00 0.00 C ATOM 1263 C ASP A 80 -2.364 -1.725 -14.252 1.00 0.00 C ATOM 1264 O ASP A 80 -2.991 -1.912 -15.295 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.218 -3.025 -14.112 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.514 -3.939 -15.287 1.00 0.00 C ATOM 1267 OD1 ASP A 80 0.307 -3.983 -16.227 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.566 -4.612 -15.265 1.00 0.00 O ATOM 0 H ASP A 80 0.320 -1.186 -12.588 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.528 -1.209 -15.223 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.862 -2.926 -13.999 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.593 -3.484 -13.198 1.00 0.00 H new ATOM 1273 N LEU A 81 -2.959 -1.550 -13.065 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.397 -1.568 -12.918 1.00 0.00 C ATOM 1275 C LEU A 81 -4.939 -0.175 -13.249 1.00 0.00 C ATOM 1276 O LEU A 81 -5.935 -0.032 -13.952 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.753 -1.986 -11.482 1.00 0.00 C ATOM 1278 CG LEU A 81 -5.884 -1.209 -10.802 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -7.172 -1.334 -11.598 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -6.076 -1.700 -9.374 1.00 0.00 C ATOM 0 H LEU A 81 -2.451 -1.394 -12.194 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.850 -2.288 -13.600 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.023 -3.042 -11.492 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.858 -1.892 -10.868 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.612 -0.154 -10.767 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.964 -0.775 -11.099 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.021 -0.933 -12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.457 -2.384 -11.667 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.883 -1.139 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.329 -2.760 -9.385 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.154 -1.552 -8.811 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.241 0.840 -12.741 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.602 2.241 -12.973 1.00 0.00 C ATOM 1294 C ILE A 82 -4.519 2.560 -14.467 1.00 0.00 C ATOM 1295 O ILE A 82 -5.502 2.968 -15.087 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.673 3.205 -12.184 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -3.903 3.063 -10.673 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.885 4.651 -12.619 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -2.734 3.531 -9.829 1.00 0.00 C ATOM 0 H ILE A 82 -3.412 0.717 -12.159 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.623 2.386 -12.620 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.642 2.931 -12.407 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.790 3.632 -10.395 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.109 2.018 -10.443 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.222 5.303 -12.050 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.664 4.747 -13.682 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.921 4.938 -12.436 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.972 3.399 -8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.849 2.946 -10.077 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.540 4.585 -10.029 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.327 2.363 -15.029 1.00 0.00 N ATOM 1312 CA ARG A 83 -3.069 2.611 -16.445 1.00 0.00 C ATOM 1313 C ARG A 83 -4.013 1.805 -17.349 1.00 0.00 C ATOM 1314 O ARG A 83 -4.319 2.230 -18.465 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.599 2.295 -16.762 1.00 0.00 C ATOM 1316 CG ARG A 83 -1.233 0.819 -16.695 1.00 0.00 C ATOM 1317 CD ARG A 83 -0.882 0.283 -18.067 1.00 0.00 C ATOM 1318 NE ARG A 83 -0.618 -1.157 -18.050 1.00 0.00 N ATOM 1319 CZ ARG A 83 -0.619 -1.935 -19.138 1.00 0.00 C ATOM 1320 NH1 ARG A 83 -0.866 -1.421 -20.341 1.00 0.00 N ATOM 1321 NH2 ARG A 83 -0.367 -3.234 -19.022 1.00 0.00 N ATOM 0 H ARG A 83 -2.513 2.027 -14.514 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.262 3.664 -16.649 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.370 2.666 -17.761 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.966 2.844 -16.065 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.389 0.681 -16.020 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.068 0.252 -16.282 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.700 0.492 -18.756 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.004 0.807 -18.446 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.421 -1.595 -17.150 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.057 -0.424 -20.440 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.864 -2.024 -21.164 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.173 -3.636 -18.105 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.367 -3.829 -19.850 1.00 0.00 H new ATOM 1335 N SER A 84 -4.469 0.644 -16.864 1.00 0.00 N ATOM 1336 CA SER A 84 -5.372 -0.213 -17.631 1.00 0.00 C ATOM 1337 C SER A 84 -6.725 -0.416 -16.927 1.00 0.00 C ATOM 1338 O SER A 84 -7.375 -1.447 -17.115 1.00 0.00 O ATOM 1339 CB SER A 84 -4.706 -1.569 -17.889 1.00 0.00 C ATOM 1340 OG SER A 84 -5.308 -2.234 -18.987 1.00 0.00 O ATOM 0 H SER A 84 -4.226 0.279 -15.943 1.00 0.00 H new ATOM 0 HA SER A 84 -5.573 0.288 -18.578 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.644 -1.424 -18.086 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.783 -2.191 -16.997 1.00 0.00 H new ATOM 0 HG SER A 84 -6.278 -2.272 -18.854 1.00 0.00 H new ATOM 1346 N GLY A 85 -7.152 0.565 -16.120 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.426 0.450 -15.417 1.00 0.00 C ATOM 1348 C GLY A 85 -8.548 1.405 -14.237 1.00 0.00 C ATOM 1349 O GLY A 85 -7.587 2.088 -13.885 1.00 0.00 O ATOM 0 H GLY A 85 -6.641 1.430 -15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.239 0.642 -16.117 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.547 -0.573 -15.062 1.00 0.00 H new ATOM 1353 N GLN A 86 -9.741 1.462 -13.632 1.00 0.00 N ATOM 1354 CA GLN A 86 -9.993 2.345 -12.496 1.00 0.00 C ATOM 1355 C GLN A 86 -10.332 1.571 -11.215 1.00 0.00 C ATOM 1356 O GLN A 86 -9.902 1.958 -10.127 1.00 0.00 O ATOM 1357 CB GLN A 86 -11.122 3.323 -12.834 1.00 0.00 C ATOM 1358 CG GLN A 86 -12.502 2.681 -12.921 1.00 0.00 C ATOM 1359 CD GLN A 86 -13.520 3.568 -13.617 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -14.253 4.315 -12.968 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -13.572 3.490 -14.944 1.00 0.00 N ATOM 0 H GLN A 86 -10.547 0.904 -13.914 1.00 0.00 H new ATOM 0 HA GLN A 86 -9.072 2.896 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.146 4.108 -12.078 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.897 3.804 -13.786 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.425 1.735 -13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.855 2.450 -11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.946 2.857 -15.443 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.238 4.063 -15.463 1.00 0.00 H new ATOM 1370 N SER A 87 -11.115 0.492 -11.344 1.00 0.00 N ATOM 1371 CA SER A 87 -11.518 -0.318 -10.186 1.00 0.00 C ATOM 1372 C SER A 87 -10.311 -0.699 -9.328 1.00 0.00 C ATOM 1373 O SER A 87 -9.370 -1.323 -9.815 1.00 0.00 O ATOM 1374 CB SER A 87 -12.252 -1.582 -10.645 1.00 0.00 C ATOM 1375 OG SER A 87 -13.187 -2.012 -9.670 1.00 0.00 O ATOM 0 H SER A 87 -11.481 0.160 -12.236 1.00 0.00 H new ATOM 0 HA SER A 87 -12.192 0.285 -9.578 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.767 -1.386 -11.585 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.530 -2.376 -10.836 1.00 0.00 H new ATOM 0 HG SER A 87 -13.643 -2.819 -9.988 1.00 0.00 H new ATOM 1381 N VAL A 88 -10.343 -0.314 -8.051 1.00 0.00 N ATOM 1382 CA VAL A 88 -9.249 -0.608 -7.131 1.00 0.00 C ATOM 1383 C VAL A 88 -9.715 -1.445 -5.936 1.00 0.00 C ATOM 1384 O VAL A 88 -10.853 -1.323 -5.480 1.00 0.00 O ATOM 1385 CB VAL A 88 -8.564 0.683 -6.617 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -7.564 1.210 -7.641 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -9.593 1.751 -6.271 1.00 0.00 C ATOM 0 H VAL A 88 -11.117 0.203 -7.632 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.523 -1.187 -7.702 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.021 0.432 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.095 2.117 -7.259 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.799 0.456 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.082 1.435 -8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.083 2.645 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.175 1.996 -7.159 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.258 1.377 -5.493 1.00 0.00 H new