USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 780 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 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 72:sc= 0.294 USER MOD Single : A 21 SER OG : rot 85:sc= 1.27 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.335 F(o=-1.2!,f=-0.33) USER MOD Single : A 27 HIS : no HD1:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0848) USER MOD Single : A 38 SER OG : rot 170:sc= 0.0286 USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.0607 (180deg=-0.544) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.0825 K(o=0.083,f=-2.4!) USER MOD Single : A 49 TYR OH : rot 80:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.08) USER MOD Single : A 55 SER OG : rot 90:sc= 0.0669 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0.299 K(o=0.3,f=-3.9!) USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= 1.25 (180deg=0.973) USER MOD Single : A 67 LYS NZ :NH3+ -130:sc= -0.781 (180deg=-1.05) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -97:sc= 1.28 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.3) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.2!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 TYR OH : rot 80:sc= 0.64 USER MOD Single : B 396 LYS NZ :NH3+ 145:sc= -0.911 (180deg=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 139 N PHE A 14 -5.722 10.731 -10.457 1.00 0.00 N ATOM 140 CA PHE A 14 -4.681 10.433 -9.487 1.00 0.00 C ATOM 141 C PHE A 14 -5.187 10.664 -8.072 1.00 0.00 C ATOM 142 O PHE A 14 -4.406 10.855 -7.138 1.00 0.00 O ATOM 143 CB PHE A 14 -3.434 11.274 -9.765 1.00 0.00 C ATOM 144 CG PHE A 14 -2.650 10.794 -10.954 1.00 0.00 C ATOM 145 CD1 PHE A 14 -1.738 9.759 -10.825 1.00 0.00 C ATOM 146 CD2 PHE A 14 -2.834 11.369 -12.201 1.00 0.00 C ATOM 147 CE1 PHE A 14 -1.018 9.311 -11.917 1.00 0.00 C ATOM 148 CE2 PHE A 14 -2.118 10.925 -13.295 1.00 0.00 C ATOM 149 CZ PHE A 14 -1.210 9.894 -13.152 1.00 0.00 C ATOM 0 HA PHE A 14 -4.410 9.381 -9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.731 12.310 -9.928 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.791 11.261 -8.885 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.588 9.297 -9.860 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.545 12.173 -12.319 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.307 8.506 -11.803 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.268 11.383 -14.261 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.651 9.544 -14.007 1.00 0.00 H new ATOM 159 N SER A 15 -6.501 10.616 -7.919 1.00 0.00 N ATOM 160 CA SER A 15 -7.131 10.813 -6.625 1.00 0.00 C ATOM 161 C SER A 15 -6.794 9.653 -5.695 1.00 0.00 C ATOM 162 O SER A 15 -6.531 9.849 -4.507 1.00 0.00 O ATOM 163 CB SER A 15 -8.641 10.947 -6.805 1.00 0.00 C ATOM 164 OG SER A 15 -8.935 11.791 -7.911 1.00 0.00 O ATOM 0 H SER A 15 -7.155 10.441 -8.682 1.00 0.00 H new ATOM 0 HA SER A 15 -6.752 11.730 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.084 9.963 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.087 11.356 -5.898 1.00 0.00 H new ATOM 0 HG SER A 15 -9.906 11.867 -8.016 1.00 0.00 H new ATOM 170 N GLU A 16 -6.786 8.441 -6.246 1.00 0.00 N ATOM 171 CA GLU A 16 -6.451 7.255 -5.471 1.00 0.00 C ATOM 172 C GLU A 16 -4.978 7.296 -5.093 1.00 0.00 C ATOM 173 O GLU A 16 -4.600 6.962 -3.971 1.00 0.00 O ATOM 174 CB GLU A 16 -6.753 5.984 -6.267 1.00 0.00 C ATOM 175 CG GLU A 16 -8.226 5.810 -6.595 1.00 0.00 C ATOM 176 CD GLU A 16 -9.101 5.848 -5.361 1.00 0.00 C ATOM 177 OE1 GLU A 16 -8.827 5.093 -4.407 1.00 0.00 O ATOM 178 OE2 GLU A 16 -10.071 6.633 -5.341 1.00 0.00 O ATOM 0 H GLU A 16 -7.008 8.258 -7.225 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.059 7.243 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.182 6.002 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.411 5.119 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.538 6.597 -7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.371 4.861 -7.110 1.00 0.00 H new ATOM 185 N TYR A 17 -4.159 7.730 -6.044 1.00 0.00 N ATOM 186 CA TYR A 17 -2.722 7.844 -5.844 1.00 0.00 C ATOM 187 C TYR A 17 -2.425 8.756 -4.657 1.00 0.00 C ATOM 188 O TYR A 17 -1.607 8.424 -3.800 1.00 0.00 O ATOM 189 CB TYR A 17 -2.058 8.389 -7.112 1.00 0.00 C ATOM 190 CG TYR A 17 -0.557 8.218 -7.147 1.00 0.00 C ATOM 191 CD1 TYR A 17 0.014 7.003 -7.496 1.00 0.00 C ATOM 192 CD2 TYR A 17 0.288 9.278 -6.841 1.00 0.00 C ATOM 193 CE1 TYR A 17 1.386 6.845 -7.536 1.00 0.00 C ATOM 194 CE2 TYR A 17 1.662 9.130 -6.881 1.00 0.00 C ATOM 195 CZ TYR A 17 2.206 7.912 -7.228 1.00 0.00 C ATOM 196 OH TYR A 17 3.573 7.760 -7.275 1.00 0.00 O ATOM 0 H TYR A 17 -4.473 8.012 -6.973 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.316 6.855 -5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.490 7.889 -7.979 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.294 9.449 -7.206 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.624 6.167 -7.740 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.136 10.233 -6.567 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.815 5.892 -7.807 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.305 9.964 -6.642 1.00 0.00 H new ATOM 0 HH TYR A 17 4.005 8.605 -7.032 1.00 0.00 H new ATOM 206 N SER A 18 -3.107 9.899 -4.607 1.00 0.00 N ATOM 207 CA SER A 18 -2.930 10.859 -3.524 1.00 0.00 C ATOM 208 C SER A 18 -3.244 10.232 -2.166 1.00 0.00 C ATOM 209 O SER A 18 -2.515 10.449 -1.194 1.00 0.00 O ATOM 210 CB SER A 18 -3.823 12.077 -3.753 1.00 0.00 C ATOM 211 OG SER A 18 -3.446 12.766 -4.932 1.00 0.00 O ATOM 0 H SER A 18 -3.791 10.182 -5.309 1.00 0.00 H new ATOM 0 HA SER A 18 -1.885 11.170 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.863 11.761 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.755 12.749 -2.897 1.00 0.00 H new ATOM 0 HG SER A 18 -3.706 12.239 -5.716 1.00 0.00 H new ATOM 217 N ARG A 19 -4.317 9.443 -2.114 1.00 0.00 N ATOM 218 CA ARG A 19 -4.735 8.782 -0.879 1.00 0.00 C ATOM 219 C ARG A 19 -3.649 7.843 -0.366 1.00 0.00 C ATOM 220 O ARG A 19 -3.273 7.887 0.807 1.00 0.00 O ATOM 221 CB ARG A 19 -6.030 7.996 -1.106 1.00 0.00 C ATOM 222 CG ARG A 19 -7.235 8.871 -1.405 1.00 0.00 C ATOM 223 CD ARG A 19 -7.631 9.702 -0.198 1.00 0.00 C ATOM 224 NE ARG A 19 -8.736 10.611 -0.490 1.00 0.00 N ATOM 225 CZ ARG A 19 -9.232 11.481 0.386 1.00 0.00 C ATOM 226 NH1 ARG A 19 -8.730 11.552 1.614 1.00 0.00 N ATOM 227 NH2 ARG A 19 -10.231 12.284 0.035 1.00 0.00 N ATOM 0 H ARG A 19 -4.914 9.246 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.909 9.554 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.882 7.302 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.239 7.396 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.009 9.530 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.074 8.245 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.915 9.039 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.770 10.277 0.143 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.152 10.577 -1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.962 10.939 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.112 12.220 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.619 12.234 -0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.610 12.950 0.708 1.00 0.00 H new ATOM 241 N ILE A 20 -3.142 7.002 -1.256 1.00 0.00 N ATOM 242 CA ILE A 20 -2.100 6.050 -0.906 1.00 0.00 C ATOM 243 C ILE A 20 -0.811 6.780 -0.519 1.00 0.00 C ATOM 244 O ILE A 20 -0.183 6.458 0.490 1.00 0.00 O ATOM 245 CB ILE A 20 -1.826 5.064 -2.068 1.00 0.00 C ATOM 246 CG1 ILE A 20 -2.825 3.905 -2.043 1.00 0.00 C ATOM 247 CG2 ILE A 20 -0.404 4.522 -2.006 1.00 0.00 C ATOM 248 CD1 ILE A 20 -4.251 4.294 -2.377 1.00 0.00 C ATOM 0 H ILE A 20 -3.438 6.961 -2.231 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.451 5.476 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.946 5.615 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.495 3.143 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.809 3.450 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.241 3.832 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.304 5.348 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.256 3.997 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.888 3.411 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.605 5.032 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.287 4.720 -3.380 1.00 0.00 H new ATOM 260 N SER A 21 -0.431 7.766 -1.322 1.00 0.00 N ATOM 261 CA SER A 21 0.775 8.551 -1.059 1.00 0.00 C ATOM 262 C SER A 21 0.717 9.193 0.332 1.00 0.00 C ATOM 263 O SER A 21 1.707 9.204 1.065 1.00 0.00 O ATOM 264 CB SER A 21 0.951 9.630 -2.131 1.00 0.00 C ATOM 265 OG SER A 21 0.957 9.063 -3.432 1.00 0.00 O ATOM 0 H SER A 21 -0.939 8.043 -2.162 1.00 0.00 H new ATOM 0 HA SER A 21 1.632 7.878 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.145 10.359 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.884 10.167 -1.961 1.00 0.00 H new ATOM 0 HG SER A 21 0.035 8.963 -3.750 1.00 0.00 H new ATOM 271 N ASN A 22 -0.456 9.711 0.687 1.00 0.00 N ATOM 272 CA ASN A 22 -0.659 10.343 1.987 1.00 0.00 C ATOM 273 C ASN A 22 -0.473 9.314 3.094 1.00 0.00 C ATOM 274 O ASN A 22 0.211 9.562 4.081 1.00 0.00 O ATOM 275 CB ASN A 22 -2.061 10.951 2.063 1.00 0.00 C ATOM 276 CG ASN A 22 -2.200 12.004 3.148 1.00 0.00 C ATOM 277 OD1 ASN A 22 -1.171 12.814 3.348 1.00 0.00 O flip ATOM 278 ND2 ASN A 22 -3.245 12.107 3.787 1.00 0.00 N flip ATOM 0 H ASN A 22 -1.283 9.705 0.090 1.00 0.00 H new ATOM 0 HA ASN A 22 0.074 11.139 2.115 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.309 11.397 1.100 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.785 10.156 2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.018 11.466 3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.339 12.833 4.497 1.00 0.00 H new ATOM 285 N LEU A 23 -1.081 8.150 2.899 1.00 0.00 N ATOM 286 CA LEU A 23 -0.997 7.042 3.845 1.00 0.00 C ATOM 287 C LEU A 23 0.469 6.637 4.062 1.00 0.00 C ATOM 288 O LEU A 23 0.892 6.382 5.195 1.00 0.00 O ATOM 289 CB LEU A 23 -1.900 5.891 3.312 1.00 0.00 C ATOM 290 CG LEU A 23 -1.498 4.416 3.549 1.00 0.00 C ATOM 291 CD1 LEU A 23 -0.373 3.974 2.631 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.134 4.163 4.990 1.00 0.00 C ATOM 0 H LEU A 23 -1.649 7.946 2.077 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.365 7.325 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.891 6.030 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.000 6.030 2.236 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.376 3.816 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.126 2.932 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.689 4.076 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.505 4.596 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.857 3.116 5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.293 4.797 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.988 4.392 5.627 1.00 0.00 H new ATOM 304 N ILE A 24 1.245 6.624 2.985 1.00 0.00 N ATOM 305 CA ILE A 24 2.651 6.246 3.056 1.00 0.00 C ATOM 306 C ILE A 24 3.453 7.208 3.932 1.00 0.00 C ATOM 307 O ILE A 24 4.130 6.782 4.873 1.00 0.00 O ATOM 308 CB ILE A 24 3.276 6.143 1.638 1.00 0.00 C ATOM 309 CG1 ILE A 24 3.030 4.745 1.069 1.00 0.00 C ATOM 310 CG2 ILE A 24 4.772 6.459 1.647 1.00 0.00 C ATOM 311 CD1 ILE A 24 3.599 3.639 1.931 1.00 0.00 C ATOM 0 H ILE A 24 0.923 6.872 2.049 1.00 0.00 H new ATOM 0 HA ILE A 24 2.696 5.261 3.521 1.00 0.00 H new ATOM 0 HB ILE A 24 2.794 6.887 1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.957 4.591 0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.470 4.683 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.168 6.375 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.927 7.473 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.289 5.754 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.389 2.674 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.677 3.769 2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.141 3.676 2.919 1.00 0.00 H new ATOM 323 N VAL A 25 3.351 8.500 3.655 1.00 0.00 N ATOM 324 CA VAL A 25 4.089 9.492 4.425 1.00 0.00 C ATOM 325 C VAL A 25 3.524 9.643 5.836 1.00 0.00 C ATOM 326 O VAL A 25 4.280 9.832 6.786 1.00 0.00 O ATOM 327 CB VAL A 25 4.130 10.870 3.728 1.00 0.00 C ATOM 328 CG1 VAL A 25 5.025 10.821 2.496 1.00 0.00 C ATOM 329 CG2 VAL A 25 2.733 11.342 3.355 1.00 0.00 C ATOM 0 H VAL A 25 2.770 8.884 2.910 1.00 0.00 H new ATOM 0 HA VAL A 25 5.111 9.119 4.492 1.00 0.00 H new ATOM 0 HB VAL A 25 4.548 11.588 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.041 11.801 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.037 10.545 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.638 10.082 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.796 12.314 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.276 10.623 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.125 11.427 4.256 1.00 0.00 H new ATOM 339 N LEU A 26 2.205 9.543 5.976 1.00 0.00 N ATOM 340 CA LEU A 26 1.569 9.671 7.286 1.00 0.00 C ATOM 341 C LEU A 26 2.040 8.581 8.238 1.00 0.00 C ATOM 342 O LEU A 26 2.471 8.867 9.356 1.00 0.00 O ATOM 343 CB LEU A 26 0.050 9.614 7.157 1.00 0.00 C ATOM 344 CG LEU A 26 -0.618 10.936 6.785 1.00 0.00 C ATOM 345 CD1 LEU A 26 -2.086 10.705 6.470 1.00 0.00 C ATOM 346 CD2 LEU A 26 -0.466 11.949 7.908 1.00 0.00 C ATOM 0 H LEU A 26 1.559 9.375 5.205 1.00 0.00 H new ATOM 0 HA LEU A 26 1.858 10.639 7.695 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.208 8.870 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.367 9.267 8.103 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.127 11.338 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.555 11.653 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.174 10.011 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.584 10.285 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.949 12.884 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.933 11.561 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.593 12.130 8.094 1.00 0.00 H new ATOM 358 N HIS A 27 1.972 7.335 7.795 1.00 0.00 N ATOM 359 CA HIS A 27 2.397 6.226 8.633 1.00 0.00 C ATOM 360 C HIS A 27 3.889 6.323 8.918 1.00 0.00 C ATOM 361 O HIS A 27 4.318 6.155 10.054 1.00 0.00 O ATOM 362 CB HIS A 27 2.077 4.879 7.980 1.00 0.00 C ATOM 363 CG HIS A 27 2.181 3.721 8.927 1.00 0.00 C ATOM 364 ND1 HIS A 27 3.072 2.685 8.754 1.00 0.00 N ATOM 365 CD2 HIS A 27 1.491 3.432 10.058 1.00 0.00 C ATOM 366 CE1 HIS A 27 2.924 1.811 9.734 1.00 0.00 C ATOM 367 NE2 HIS A 27 1.970 2.238 10.539 1.00 0.00 N ATOM 0 H HIS A 27 1.631 7.069 6.871 1.00 0.00 H new ATOM 0 HA HIS A 27 1.846 6.287 9.572 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.068 4.913 7.568 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.757 4.718 7.144 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.708 4.031 10.500 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.490 0.899 9.856 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.643 1.761 11.379 1.00 0.00 H new ATOM 376 N LEU A 28 4.670 6.617 7.882 1.00 0.00 N ATOM 377 CA LEU A 28 6.121 6.729 8.017 1.00 0.00 C ATOM 378 C LEU A 28 6.525 7.829 9.004 1.00 0.00 C ATOM 379 O LEU A 28 7.365 7.599 9.874 1.00 0.00 O ATOM 380 CB LEU A 28 6.758 6.977 6.646 1.00 0.00 C ATOM 381 CG LEU A 28 8.029 6.175 6.357 1.00 0.00 C ATOM 382 CD1 LEU A 28 9.235 6.829 7.006 1.00 0.00 C ATOM 383 CD2 LEU A 28 7.879 4.736 6.835 1.00 0.00 C ATOM 0 H LEU A 28 4.322 6.782 6.938 1.00 0.00 H new ATOM 0 HA LEU A 28 6.489 5.785 8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.022 6.748 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.991 8.038 6.559 1.00 0.00 H new ATOM 0 HG LEU A 28 8.185 6.163 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.128 6.243 6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.358 7.838 6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.086 6.877 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.794 4.184 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.694 4.727 7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.042 4.266 6.319 1.00 0.00 H new ATOM 395 N ARG A 29 5.920 9.011 8.885 1.00 0.00 N ATOM 396 CA ARG A 29 6.252 10.127 9.776 1.00 0.00 C ATOM 397 C ARG A 29 5.891 9.802 11.224 1.00 0.00 C ATOM 398 O ARG A 29 6.562 10.250 12.153 1.00 0.00 O ATOM 399 CB ARG A 29 5.574 11.429 9.326 1.00 0.00 C ATOM 400 CG ARG A 29 4.060 11.423 9.438 1.00 0.00 C ATOM 401 CD ARG A 29 3.457 12.710 8.904 1.00 0.00 C ATOM 402 NE ARG A 29 3.683 13.829 9.819 1.00 0.00 N ATOM 403 CZ ARG A 29 4.064 15.047 9.437 1.00 0.00 C ATOM 404 NH1 ARG A 29 4.224 15.327 8.149 1.00 0.00 N ATOM 405 NH2 ARG A 29 4.282 15.986 10.348 1.00 0.00 N ATOM 0 H ARG A 29 5.205 9.221 8.189 1.00 0.00 H new ATOM 0 HA ARG A 29 7.330 10.277 9.720 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.966 12.253 9.922 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.848 11.627 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.657 10.574 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.772 11.290 10.481 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.892 12.941 7.931 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.386 12.575 8.750 1.00 0.00 H new ATOM 0 HE ARG A 29 3.539 13.666 10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.055 14.608 7.446 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.516 16.261 7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.158 15.775 11.338 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.574 16.919 10.058 1.00 0.00 H new ATOM 419 N LYS A 30 4.829 9.027 11.414 1.00 0.00 N ATOM 420 CA LYS A 30 4.411 8.629 12.754 1.00 0.00 C ATOM 421 C LYS A 30 5.391 7.602 13.307 1.00 0.00 C ATOM 422 O LYS A 30 5.753 7.631 14.484 1.00 0.00 O ATOM 423 CB LYS A 30 3.001 8.036 12.733 1.00 0.00 C ATOM 424 CG LYS A 30 1.902 9.053 12.480 1.00 0.00 C ATOM 425 CD LYS A 30 1.779 10.045 13.624 1.00 0.00 C ATOM 426 CE LYS A 30 0.460 10.800 13.572 1.00 0.00 C ATOM 427 NZ LYS A 30 0.238 11.454 12.255 1.00 0.00 N ATOM 0 H LYS A 30 4.244 8.663 10.662 1.00 0.00 H new ATOM 0 HA LYS A 30 4.402 9.513 13.392 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.954 7.267 11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.812 7.543 13.687 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.109 9.589 11.554 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.952 8.536 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.859 9.517 14.574 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.606 10.754 13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.359 10.111 13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.444 11.555 14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.560 12.117 12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.095 11.973 11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.024 10.730 11.540 1.00 0.00 H new ATOM 441 N VAL A 31 5.823 6.703 12.429 1.00 0.00 N ATOM 442 CA VAL A 31 6.762 5.657 12.786 1.00 0.00 C ATOM 443 C VAL A 31 8.103 6.245 13.208 1.00 0.00 C ATOM 444 O VAL A 31 8.604 5.937 14.281 1.00 0.00 O ATOM 445 CB VAL A 31 6.971 4.674 11.612 1.00 0.00 C ATOM 446 CG1 VAL A 31 8.156 3.764 11.863 1.00 0.00 C ATOM 447 CG2 VAL A 31 5.717 3.850 11.382 1.00 0.00 C ATOM 0 H VAL A 31 5.530 6.683 11.452 1.00 0.00 H new ATOM 0 HA VAL A 31 6.337 5.112 13.629 1.00 0.00 H new ATOM 0 HB VAL A 31 7.178 5.261 10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.278 3.084 11.020 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.058 4.365 11.978 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.986 3.188 12.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.880 3.163 10.552 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.484 3.282 12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.884 4.513 11.146 1.00 0.00 H new ATOM 457 N GLU A 32 8.664 7.114 12.377 1.00 0.00 N ATOM 458 CA GLU A 32 9.953 7.731 12.677 1.00 0.00 C ATOM 459 C GLU A 32 9.877 8.590 13.938 1.00 0.00 C ATOM 460 O GLU A 32 10.872 8.764 14.642 1.00 0.00 O ATOM 461 CB GLU A 32 10.444 8.570 11.494 1.00 0.00 C ATOM 462 CG GLU A 32 9.521 9.715 11.119 1.00 0.00 C ATOM 463 CD GLU A 32 10.079 10.564 10.001 1.00 0.00 C ATOM 464 OE1 GLU A 32 10.183 10.061 8.865 1.00 0.00 O ATOM 465 OE2 GLU A 32 10.418 11.739 10.249 1.00 0.00 O ATOM 0 H GLU A 32 8.250 7.408 11.492 1.00 0.00 H new ATOM 0 HA GLU A 32 10.668 6.928 12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.428 8.974 11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.568 7.920 10.628 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.553 9.314 10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.349 10.341 11.995 1.00 0.00 H new ATOM 472 N GLU A 33 8.696 9.123 14.216 1.00 0.00 N ATOM 473 CA GLU A 33 8.495 9.964 15.387 1.00 0.00 C ATOM 474 C GLU A 33 8.525 9.145 16.673 1.00 0.00 C ATOM 475 O GLU A 33 9.197 9.511 17.639 1.00 0.00 O ATOM 476 CB GLU A 33 7.158 10.701 15.285 1.00 0.00 C ATOM 477 CG GLU A 33 7.014 11.854 16.267 1.00 0.00 C ATOM 478 CD GLU A 33 7.999 12.970 15.993 1.00 0.00 C ATOM 479 OE1 GLU A 33 9.128 12.915 16.524 1.00 0.00 O ATOM 480 OE2 GLU A 33 7.654 13.900 15.233 1.00 0.00 O ATOM 0 H GLU A 33 7.861 8.988 13.646 1.00 0.00 H new ATOM 0 HA GLU A 33 9.311 10.686 15.419 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.041 11.083 14.271 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.349 9.990 15.453 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.999 12.248 16.215 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.161 11.484 17.282 1.00 0.00 H new ATOM 487 N GLU A 34 7.802 8.036 16.679 1.00 0.00 N ATOM 488 CA GLU A 34 7.720 7.186 17.863 1.00 0.00 C ATOM 489 C GLU A 34 8.725 6.034 17.830 1.00 0.00 C ATOM 490 O GLU A 34 9.680 6.003 18.610 1.00 0.00 O ATOM 491 CB GLU A 34 6.302 6.627 18.001 1.00 0.00 C ATOM 492 CG GLU A 34 5.232 7.698 18.134 1.00 0.00 C ATOM 493 CD GLU A 34 5.415 8.551 19.373 1.00 0.00 C ATOM 494 OE1 GLU A 34 5.502 7.984 20.482 1.00 0.00 O ATOM 495 OE2 GLU A 34 5.475 9.792 19.246 1.00 0.00 O ATOM 0 H GLU A 34 7.263 7.701 15.880 1.00 0.00 H new ATOM 0 HA GLU A 34 7.967 7.808 18.724 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.079 6.009 17.131 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.261 5.975 18.874 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.250 8.337 17.251 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.251 7.225 18.164 1.00 0.00 H new ATOM 502 N GLU A 35 8.503 5.099 16.917 1.00 0.00 N ATOM 503 CA GLU A 35 9.345 3.911 16.784 1.00 0.00 C ATOM 504 C GLU A 35 10.760 4.244 16.308 1.00 0.00 C ATOM 505 O GLU A 35 11.716 3.578 16.701 1.00 0.00 O ATOM 506 CB GLU A 35 8.689 2.935 15.808 1.00 0.00 C ATOM 507 CG GLU A 35 7.265 2.569 16.190 1.00 0.00 C ATOM 508 CD GLU A 35 6.427 2.136 15.006 1.00 0.00 C ATOM 509 OE1 GLU A 35 6.629 1.006 14.515 1.00 0.00 O ATOM 510 OE2 GLU A 35 5.552 2.919 14.575 1.00 0.00 O ATOM 0 H GLU A 35 7.735 5.139 16.246 1.00 0.00 H new ATOM 0 HA GLU A 35 9.437 3.460 17.772 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.689 3.375 14.811 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.289 2.026 15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.287 1.765 16.926 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.792 3.426 16.669 1.00 0.00 H new ATOM 517 N ASP A 36 10.868 5.251 15.439 1.00 0.00 N ATOM 518 CA ASP A 36 12.148 5.704 14.867 1.00 0.00 C ATOM 519 C ASP A 36 12.630 4.756 13.766 1.00 0.00 C ATOM 520 O ASP A 36 13.294 5.173 12.819 1.00 0.00 O ATOM 521 CB ASP A 36 13.226 5.874 15.946 1.00 0.00 C ATOM 522 CG ASP A 36 14.569 6.282 15.372 1.00 0.00 C ATOM 523 OD1 ASP A 36 14.656 7.372 14.771 1.00 0.00 O ATOM 524 OD2 ASP A 36 15.544 5.514 15.521 1.00 0.00 O ATOM 0 H ASP A 36 10.064 5.783 15.106 1.00 0.00 H new ATOM 0 HA ASP A 36 11.970 6.682 14.421 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.899 6.625 16.665 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.338 4.938 16.492 1.00 0.00 H new ATOM 529 N GLU A 37 12.278 3.483 13.894 1.00 0.00 N ATOM 530 CA GLU A 37 12.645 2.471 12.918 1.00 0.00 C ATOM 531 C GLU A 37 11.611 2.449 11.804 1.00 0.00 C ATOM 532 O GLU A 37 10.669 1.653 11.818 1.00 0.00 O ATOM 533 CB GLU A 37 12.740 1.096 13.577 1.00 0.00 C ATOM 534 CG GLU A 37 13.708 1.043 14.747 1.00 0.00 C ATOM 535 CD GLU A 37 13.723 -0.311 15.416 1.00 0.00 C ATOM 536 OE1 GLU A 37 12.793 -0.603 16.197 1.00 0.00 O ATOM 537 OE2 GLU A 37 14.655 -1.099 15.155 1.00 0.00 O ATOM 0 H GLU A 37 11.731 3.126 14.677 1.00 0.00 H new ATOM 0 HA GLU A 37 13.622 2.716 12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.750 0.800 13.923 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.048 0.365 12.829 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.712 1.284 14.397 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.434 1.804 15.478 1.00 0.00 H new ATOM 544 N SER A 38 11.784 3.359 10.868 1.00 0.00 N ATOM 545 CA SER A 38 10.888 3.512 9.727 1.00 0.00 C ATOM 546 C SER A 38 11.034 2.387 8.690 1.00 0.00 C ATOM 547 O SER A 38 10.863 2.619 7.495 1.00 0.00 O ATOM 548 CB SER A 38 11.164 4.864 9.069 1.00 0.00 C ATOM 549 OG SER A 38 11.718 5.778 10.006 1.00 0.00 O ATOM 0 H SER A 38 12.558 4.024 10.873 1.00 0.00 H new ATOM 0 HA SER A 38 9.865 3.457 10.098 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.851 4.733 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.239 5.271 8.661 1.00 0.00 H new ATOM 0 HG SER A 38 12.036 6.577 9.535 1.00 0.00 H new ATOM 555 N ALA A 39 11.325 1.176 9.144 1.00 0.00 N ATOM 556 CA ALA A 39 11.475 0.043 8.243 1.00 0.00 C ATOM 557 C ALA A 39 10.162 -0.715 8.132 1.00 0.00 C ATOM 558 O ALA A 39 9.540 -0.745 7.069 1.00 0.00 O ATOM 559 CB ALA A 39 12.584 -0.883 8.721 1.00 0.00 C ATOM 0 H ALA A 39 11.462 0.953 10.130 1.00 0.00 H new ATOM 0 HA ALA A 39 11.748 0.420 7.257 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.679 -1.723 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.526 -0.335 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.343 -1.255 9.717 1.00 0.00 H new ATOM 565 N LEU A 40 9.744 -1.320 9.245 1.00 0.00 N ATOM 566 CA LEU A 40 8.496 -2.078 9.302 1.00 0.00 C ATOM 567 C LEU A 40 8.495 -3.207 8.273 1.00 0.00 C ATOM 568 O LEU A 40 9.495 -3.907 8.095 1.00 0.00 O ATOM 569 CB LEU A 40 7.298 -1.151 9.061 1.00 0.00 C ATOM 570 CG LEU A 40 7.247 0.092 9.943 1.00 0.00 C ATOM 571 CD1 LEU A 40 6.562 1.232 9.209 1.00 0.00 C ATOM 572 CD2 LEU A 40 6.528 -0.207 11.246 1.00 0.00 C ATOM 0 H LEU A 40 10.258 -1.298 10.126 1.00 0.00 H new ATOM 0 HA LEU A 40 8.413 -2.517 10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.308 -0.836 8.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.382 -1.722 9.213 1.00 0.00 H new ATOM 0 HG LEU A 40 8.269 0.392 10.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.533 2.113 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.116 1.464 8.299 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.545 0.938 8.949 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.502 0.692 11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.509 -0.531 11.033 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.056 -0.997 11.780 1.00 0.00 H new ATOM 584 N LYS A 41 7.373 -3.368 7.591 1.00 0.00 N ATOM 585 CA LYS A 41 7.224 -4.395 6.580 1.00 0.00 C ATOM 586 C LYS A 41 6.419 -3.843 5.409 1.00 0.00 C ATOM 587 O LYS A 41 5.399 -3.186 5.613 1.00 0.00 O ATOM 588 CB LYS A 41 6.525 -5.616 7.171 1.00 0.00 C ATOM 589 CG LYS A 41 6.934 -6.924 6.521 1.00 0.00 C ATOM 590 CD LYS A 41 8.130 -7.550 7.216 1.00 0.00 C ATOM 591 CE LYS A 41 8.371 -8.971 6.729 1.00 0.00 C ATOM 592 NZ LYS A 41 7.213 -9.863 7.015 1.00 0.00 N ATOM 0 H LYS A 41 6.543 -2.790 7.724 1.00 0.00 H new ATOM 0 HA LYS A 41 8.210 -4.697 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.741 -5.667 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.447 -5.491 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.095 -7.619 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.174 -6.749 5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.018 -6.945 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.965 -7.556 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.563 -8.959 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.264 -9.372 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.531 -10.853 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.810 -9.622 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.488 -9.738 6.280 1.00 0.00 H new ATOM 606 N ARG A 42 6.882 -4.109 4.194 1.00 0.00 N ATOM 607 CA ARG A 42 6.212 -3.627 2.985 1.00 0.00 C ATOM 608 C ARG A 42 4.734 -4.039 2.941 1.00 0.00 C ATOM 609 O ARG A 42 3.859 -3.203 2.719 1.00 0.00 O ATOM 610 CB ARG A 42 6.940 -4.133 1.733 1.00 0.00 C ATOM 611 CG ARG A 42 7.207 -5.627 1.744 1.00 0.00 C ATOM 612 CD ARG A 42 7.811 -6.100 0.435 1.00 0.00 C ATOM 613 NE ARG A 42 7.709 -7.550 0.282 1.00 0.00 N ATOM 614 CZ ARG A 42 8.250 -8.234 -0.723 1.00 0.00 C ATOM 615 NH1 ARG A 42 8.961 -7.605 -1.656 1.00 0.00 N ATOM 616 NH2 ARG A 42 8.086 -9.547 -0.781 1.00 0.00 N ATOM 0 H ARG A 42 7.723 -4.658 4.016 1.00 0.00 H new ATOM 0 HA ARG A 42 6.248 -2.538 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.346 -3.886 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.888 -3.604 1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.882 -5.870 2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.275 -6.162 1.929 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.305 -5.610 -0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.859 -5.803 0.390 1.00 0.00 H new ATOM 0 HE ARG A 42 7.191 -8.070 0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.093 -6.595 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.374 -8.133 -2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.548 -10.026 -0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.497 -10.079 -1.548 1.00 0.00 H new ATOM 630 N SER A 43 4.456 -5.320 3.165 1.00 0.00 N ATOM 631 CA SER A 43 3.084 -5.816 3.128 1.00 0.00 C ATOM 632 C SER A 43 2.289 -5.323 4.335 1.00 0.00 C ATOM 633 O SER A 43 1.076 -5.146 4.255 1.00 0.00 O ATOM 634 CB SER A 43 3.069 -7.347 3.073 1.00 0.00 C ATOM 635 OG SER A 43 1.770 -7.839 2.801 1.00 0.00 O ATOM 0 H SER A 43 5.158 -6.030 3.373 1.00 0.00 H new ATOM 0 HA SER A 43 2.610 -5.427 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.759 -7.692 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.422 -7.751 4.022 1.00 0.00 H new ATOM 0 HG SER A 43 1.791 -8.818 2.770 1.00 0.00 H new ATOM 641 N GLU A 44 2.978 -5.080 5.443 1.00 0.00 N ATOM 642 CA GLU A 44 2.329 -4.616 6.660 1.00 0.00 C ATOM 643 C GLU A 44 1.747 -3.220 6.472 1.00 0.00 C ATOM 644 O GLU A 44 0.700 -2.898 7.032 1.00 0.00 O ATOM 645 CB GLU A 44 3.314 -4.614 7.823 1.00 0.00 C ATOM 646 CG GLU A 44 2.644 -4.566 9.183 1.00 0.00 C ATOM 647 CD GLU A 44 3.623 -4.266 10.290 1.00 0.00 C ATOM 648 OE1 GLU A 44 4.463 -5.137 10.596 1.00 0.00 O ATOM 649 OE2 GLU A 44 3.553 -3.156 10.858 1.00 0.00 O ATOM 0 H GLU A 44 3.988 -5.197 5.523 1.00 0.00 H new ATOM 0 HA GLU A 44 1.513 -5.303 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.935 -5.508 7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.979 -3.756 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.863 -3.805 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.157 -5.521 9.380 1.00 0.00 H new ATOM 656 N LEU A 45 2.434 -2.398 5.683 1.00 0.00 N ATOM 657 CA LEU A 45 1.974 -1.040 5.409 1.00 0.00 C ATOM 658 C LEU A 45 0.582 -1.074 4.787 1.00 0.00 C ATOM 659 O LEU A 45 -0.331 -0.378 5.229 1.00 0.00 O ATOM 660 CB LEU A 45 2.948 -0.324 4.468 1.00 0.00 C ATOM 661 CG LEU A 45 4.391 -0.231 4.964 1.00 0.00 C ATOM 662 CD1 LEU A 45 5.309 0.229 3.843 1.00 0.00 C ATOM 663 CD2 LEU A 45 4.491 0.710 6.153 1.00 0.00 C ATOM 0 H LEU A 45 3.309 -2.648 5.223 1.00 0.00 H new ATOM 0 HA LEU A 45 1.931 -0.492 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.944 -0.840 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.578 0.685 4.289 1.00 0.00 H new ATOM 0 HG LEU A 45 4.707 -1.223 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.333 0.290 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.263 -0.483 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.991 1.211 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.526 0.762 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.155 1.704 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.863 0.340 6.964 1.00 0.00 H new ATOM 675 N VAL A 46 0.432 -1.891 3.757 1.00 0.00 N ATOM 676 CA VAL A 46 -0.845 -2.036 3.079 1.00 0.00 C ATOM 677 C VAL A 46 -1.823 -2.840 3.940 1.00 0.00 C ATOM 678 O VAL A 46 -3.020 -2.567 3.947 1.00 0.00 O ATOM 679 CB VAL A 46 -0.674 -2.682 1.672 1.00 0.00 C ATOM 680 CG1 VAL A 46 0.533 -3.598 1.615 1.00 0.00 C ATOM 681 CG2 VAL A 46 -1.919 -3.438 1.242 1.00 0.00 C ATOM 0 H VAL A 46 1.182 -2.465 3.372 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.260 -1.039 2.930 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.514 -1.860 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.616 -4.028 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.434 -3.027 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.418 -4.398 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.758 -3.873 0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.128 -4.232 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.765 -2.752 1.202 1.00 0.00 H new ATOM 691 N ASN A 47 -1.289 -3.790 4.700 1.00 0.00 N ATOM 692 CA ASN A 47 -2.093 -4.660 5.567 1.00 0.00 C ATOM 693 C ASN A 47 -3.066 -3.874 6.448 1.00 0.00 C ATOM 694 O ASN A 47 -4.283 -4.076 6.367 1.00 0.00 O ATOM 695 CB ASN A 47 -1.178 -5.516 6.452 1.00 0.00 C ATOM 696 CG ASN A 47 -1.959 -6.453 7.362 1.00 0.00 C ATOM 697 OD1 ASN A 47 -3.038 -6.935 7.007 1.00 0.00 O ATOM 698 ND2 ASN A 47 -1.422 -6.718 8.546 1.00 0.00 N ATOM 0 H ASN A 47 -0.288 -3.983 4.736 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.685 -5.299 4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.510 -6.101 5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.551 -4.863 7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.903 -7.339 9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.528 -6.301 8.805 1.00 0.00 H new ATOM 705 N TRP A 48 -2.542 -2.978 7.279 1.00 0.00 N ATOM 706 CA TRP A 48 -3.396 -2.190 8.163 1.00 0.00 C ATOM 707 C TRP A 48 -4.211 -1.185 7.358 1.00 0.00 C ATOM 708 O TRP A 48 -5.322 -0.826 7.743 1.00 0.00 O ATOM 709 CB TRP A 48 -2.585 -1.486 9.263 1.00 0.00 C ATOM 710 CG TRP A 48 -1.746 -0.336 8.785 1.00 0.00 C ATOM 711 CD1 TRP A 48 -0.430 -0.381 8.441 1.00 0.00 C ATOM 712 CD2 TRP A 48 -2.166 1.024 8.604 1.00 0.00 C ATOM 713 NE1 TRP A 48 -0.005 0.863 8.051 1.00 0.00 N ATOM 714 CE2 TRP A 48 -1.052 1.741 8.141 1.00 0.00 C ATOM 715 CE3 TRP A 48 -3.375 1.705 8.784 1.00 0.00 C ATOM 716 CZ2 TRP A 48 -1.110 3.098 7.853 1.00 0.00 C ATOM 717 CZ3 TRP A 48 -3.432 3.054 8.494 1.00 0.00 C ATOM 718 CH2 TRP A 48 -2.302 3.739 8.030 1.00 0.00 C ATOM 0 H TRP A 48 -1.545 -2.781 7.359 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.082 -2.876 8.660 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.273 -1.123 10.027 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -1.935 -2.218 9.741 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.188 -1.266 8.471 1.00 0.00 H new ATOM 0 HE1 TRP A 48 0.939 1.097 7.743 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.250 1.184 9.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -0.239 3.630 7.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.361 3.588 8.627 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.375 4.793 7.808 1.00 0.00 H new ATOM 729 N TYR A 49 -3.656 -0.747 6.228 1.00 0.00 N ATOM 730 CA TYR A 49 -4.336 0.207 5.362 1.00 0.00 C ATOM 731 C TYR A 49 -5.686 -0.356 4.938 1.00 0.00 C ATOM 732 O TYR A 49 -6.710 0.320 5.033 1.00 0.00 O ATOM 733 CB TYR A 49 -3.481 0.513 4.128 1.00 0.00 C ATOM 734 CG TYR A 49 -4.070 1.571 3.219 1.00 0.00 C ATOM 735 CD1 TYR A 49 -4.503 2.787 3.732 1.00 0.00 C ATOM 736 CD2 TYR A 49 -4.183 1.358 1.847 1.00 0.00 C ATOM 737 CE1 TYR A 49 -5.034 3.760 2.910 1.00 0.00 C ATOM 738 CE2 TYR A 49 -4.714 2.329 1.020 1.00 0.00 C ATOM 739 CZ TYR A 49 -5.137 3.528 1.558 1.00 0.00 C ATOM 740 OH TYR A 49 -5.661 4.500 0.738 1.00 0.00 O ATOM 0 H TYR A 49 -2.738 -1.039 5.894 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.492 1.135 5.913 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.493 0.838 4.454 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.342 -0.405 3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.423 2.974 4.793 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.851 0.421 1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.367 4.699 3.326 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.798 2.151 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.974 5.173 0.548 1.00 0.00 H new ATOM 750 N LEU A 50 -5.678 -1.607 4.495 1.00 0.00 N ATOM 751 CA LEU A 50 -6.903 -2.269 4.073 1.00 0.00 C ATOM 752 C LEU A 50 -7.824 -2.463 5.256 1.00 0.00 C ATOM 753 O LEU A 50 -9.019 -2.262 5.148 1.00 0.00 O ATOM 754 CB LEU A 50 -6.621 -3.634 3.456 1.00 0.00 C ATOM 755 CG LEU A 50 -5.287 -3.771 2.747 1.00 0.00 C ATOM 756 CD1 LEU A 50 -4.969 -5.238 2.521 1.00 0.00 C ATOM 757 CD2 LEU A 50 -5.299 -2.998 1.439 1.00 0.00 C ATOM 0 H LEU A 50 -4.838 -2.181 4.419 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.372 -1.631 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.672 -4.386 4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.415 -3.862 2.745 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.503 -3.346 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.010 -5.328 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.920 -5.752 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.749 -5.689 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.334 -3.107 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.085 -3.388 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.486 -1.943 1.641 1.00 0.00 H new ATOM 769 N LYS A 51 -7.245 -2.832 6.390 1.00 0.00 N ATOM 770 CA LYS A 51 -8.010 -3.081 7.609 1.00 0.00 C ATOM 771 C LYS A 51 -8.813 -1.856 8.029 1.00 0.00 C ATOM 772 O LYS A 51 -9.888 -1.965 8.617 1.00 0.00 O ATOM 773 CB LYS A 51 -7.062 -3.492 8.738 1.00 0.00 C ATOM 774 CG LYS A 51 -6.823 -4.986 8.801 1.00 0.00 C ATOM 775 CD LYS A 51 -8.136 -5.721 8.970 1.00 0.00 C ATOM 776 CE LYS A 51 -8.114 -7.082 8.297 1.00 0.00 C ATOM 777 NZ LYS A 51 -9.462 -7.707 8.289 1.00 0.00 N ATOM 0 H LYS A 51 -6.239 -2.967 6.494 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.714 -3.888 7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.107 -2.983 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.473 -3.156 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.326 -5.320 7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.158 -5.220 9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.349 -5.845 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.944 -5.122 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.754 -6.977 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.412 -7.735 8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.556 -8.318 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.586 -8.277 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.189 -6.964 8.258 1.00 0.00 H new ATOM 791 N GLU A 52 -8.273 -0.699 7.725 1.00 0.00 N ATOM 792 CA GLU A 52 -8.904 0.561 8.071 1.00 0.00 C ATOM 793 C GLU A 52 -9.917 1.006 7.014 1.00 0.00 C ATOM 794 O GLU A 52 -11.021 1.442 7.344 1.00 0.00 O ATOM 795 CB GLU A 52 -7.822 1.616 8.312 1.00 0.00 C ATOM 796 CG GLU A 52 -7.742 2.721 7.272 1.00 0.00 C ATOM 797 CD GLU A 52 -7.499 4.081 7.891 1.00 0.00 C ATOM 798 OE1 GLU A 52 -8.485 4.760 8.244 1.00 0.00 O ATOM 799 OE2 GLU A 52 -6.323 4.477 8.036 1.00 0.00 O ATOM 0 H GLU A 52 -7.386 -0.601 7.232 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.475 0.428 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.994 2.071 9.288 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.855 1.115 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.940 2.497 6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.670 2.746 6.700 1.00 0.00 H new ATOM 806 N ILE A 53 -9.553 0.885 5.746 1.00 0.00 N ATOM 807 CA ILE A 53 -10.437 1.300 4.666 1.00 0.00 C ATOM 808 C ILE A 53 -11.539 0.281 4.428 1.00 0.00 C ATOM 809 O ILE A 53 -12.591 0.609 3.888 1.00 0.00 O ATOM 810 CB ILE A 53 -9.665 1.512 3.347 1.00 0.00 C ATOM 811 CG1 ILE A 53 -8.993 0.204 2.910 1.00 0.00 C ATOM 812 CG2 ILE A 53 -8.638 2.628 3.502 1.00 0.00 C ATOM 813 CD1 ILE A 53 -8.233 0.307 1.610 1.00 0.00 C ATOM 0 H ILE A 53 -8.657 0.505 5.440 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.879 2.246 4.978 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.371 1.810 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.309 -0.120 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -9.755 -0.569 2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.103 2.763 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.146 3.555 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.930 2.364 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.788 -0.659 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.915 0.599 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.446 1.055 1.707 1.00 0.00 H new ATOM 825 N GLU A 54 -11.321 -0.944 4.878 1.00 0.00 N ATOM 826 CA GLU A 54 -12.298 -2.011 4.665 1.00 0.00 C ATOM 827 C GLU A 54 -13.562 -1.781 5.484 1.00 0.00 C ATOM 828 O GLU A 54 -14.572 -2.466 5.305 1.00 0.00 O ATOM 829 CB GLU A 54 -11.683 -3.385 4.945 1.00 0.00 C ATOM 830 CG GLU A 54 -11.567 -3.753 6.412 1.00 0.00 C ATOM 831 CD GLU A 54 -10.844 -5.074 6.615 1.00 0.00 C ATOM 832 OE1 GLU A 54 -9.884 -5.363 5.860 1.00 0.00 O ATOM 833 OE2 GLU A 54 -11.232 -5.832 7.527 1.00 0.00 O ATOM 0 H GLU A 54 -10.485 -1.227 5.389 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.589 -1.991 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.284 -4.143 4.443 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.689 -3.418 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.034 -2.964 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.563 -3.815 6.850 1.00 0.00 H new ATOM 840 N SER A 55 -13.503 -0.800 6.370 1.00 0.00 N ATOM 841 CA SER A 55 -14.641 -0.444 7.195 1.00 0.00 C ATOM 842 C SER A 55 -15.602 0.448 6.407 1.00 0.00 C ATOM 843 O SER A 55 -16.792 0.521 6.716 1.00 0.00 O ATOM 844 CB SER A 55 -14.163 0.277 8.457 1.00 0.00 C ATOM 845 OG SER A 55 -13.024 -0.370 9.010 1.00 0.00 O ATOM 0 H SER A 55 -12.671 -0.233 6.535 1.00 0.00 H new ATOM 0 HA SER A 55 -15.168 -1.353 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.918 1.312 8.219 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.966 0.301 9.194 1.00 0.00 H new ATOM 0 HG SER A 55 -12.210 0.015 8.624 1.00 0.00 H new ATOM 851 N GLU A 56 -15.080 1.118 5.377 1.00 0.00 N ATOM 852 CA GLU A 56 -15.894 2.002 4.551 1.00 0.00 C ATOM 853 C GLU A 56 -16.202 1.357 3.202 1.00 0.00 C ATOM 854 O GLU A 56 -17.247 1.623 2.605 1.00 0.00 O ATOM 855 CB GLU A 56 -15.197 3.358 4.335 1.00 0.00 C ATOM 856 CG GLU A 56 -13.974 3.289 3.431 1.00 0.00 C ATOM 857 CD GLU A 56 -13.630 4.619 2.792 1.00 0.00 C ATOM 858 OE1 GLU A 56 -14.200 4.939 1.728 1.00 0.00 O ATOM 859 OE2 GLU A 56 -12.769 5.342 3.336 1.00 0.00 O ATOM 0 H GLU A 56 -14.100 1.063 5.099 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.831 2.174 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.913 4.059 3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.898 3.760 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.120 2.940 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.150 2.551 2.648 1.00 0.00 H new ATOM 866 N ILE A 57 -15.296 0.504 2.730 1.00 0.00 N ATOM 867 CA ILE A 57 -15.467 -0.162 1.447 1.00 0.00 C ATOM 868 C ILE A 57 -16.738 -0.999 1.414 1.00 0.00 C ATOM 869 O ILE A 57 -16.857 -2.007 2.110 1.00 0.00 O ATOM 870 CB ILE A 57 -14.274 -1.071 1.093 1.00 0.00 C ATOM 871 CG1 ILE A 57 -12.960 -0.282 1.093 1.00 0.00 C ATOM 872 CG2 ILE A 57 -14.493 -1.730 -0.257 1.00 0.00 C ATOM 873 CD1 ILE A 57 -12.954 0.916 0.168 1.00 0.00 C ATOM 0 H ILE A 57 -14.435 0.259 3.220 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.533 0.637 0.709 1.00 0.00 H new ATOM 0 HB ILE A 57 -14.203 -1.846 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.753 0.056 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.148 -0.951 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.642 -2.369 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -15.401 -2.333 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.594 -0.963 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.988 1.418 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.128 0.586 -0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.742 1.609 0.464 1.00 0.00 H new ATOM 885 N ASP A 58 -17.685 -0.559 0.607 1.00 0.00 N ATOM 886 CA ASP A 58 -18.947 -1.261 0.445 1.00 0.00 C ATOM 887 C ASP A 58 -18.985 -1.904 -0.926 1.00 0.00 C ATOM 888 O ASP A 58 -19.758 -2.829 -1.175 1.00 0.00 O ATOM 889 CB ASP A 58 -20.128 -0.301 0.611 1.00 0.00 C ATOM 890 CG ASP A 58 -21.466 -0.982 0.394 1.00 0.00 C ATOM 891 OD1 ASP A 58 -21.747 -1.988 1.080 1.00 0.00 O ATOM 892 OD2 ASP A 58 -22.240 -0.530 -0.479 1.00 0.00 O ATOM 0 H ASP A 58 -17.604 0.290 0.048 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.028 -2.030 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.102 0.132 1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -20.024 0.523 -0.095 1.00 0.00 H new ATOM 897 N SER A 59 -18.105 -1.439 -1.800 1.00 0.00 N ATOM 898 CA SER A 59 -18.040 -1.945 -3.153 1.00 0.00 C ATOM 899 C SER A 59 -16.723 -2.668 -3.385 1.00 0.00 C ATOM 900 O SER A 59 -15.652 -2.139 -3.080 1.00 0.00 O ATOM 901 CB SER A 59 -18.211 -0.798 -4.147 1.00 0.00 C ATOM 902 OG SER A 59 -19.426 -0.098 -3.911 1.00 0.00 O ATOM 0 H SER A 59 -17.425 -0.708 -1.590 1.00 0.00 H new ATOM 0 HA SER A 59 -18.850 -2.659 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 59 -17.369 -0.111 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.204 -1.189 -5.164 1.00 0.00 H new ATOM 0 HG SER A 59 -19.513 0.633 -4.558 1.00 0.00 H new ATOM 908 N GLU A 60 -16.816 -3.873 -3.926 1.00 0.00 N ATOM 909 CA GLU A 60 -15.649 -4.702 -4.203 1.00 0.00 C ATOM 910 C GLU A 60 -14.623 -3.953 -5.051 1.00 0.00 C ATOM 911 O GLU A 60 -13.418 -4.053 -4.814 1.00 0.00 O ATOM 912 CB GLU A 60 -16.086 -5.979 -4.920 1.00 0.00 C ATOM 913 CG GLU A 60 -15.042 -7.080 -4.905 1.00 0.00 C ATOM 914 CD GLU A 60 -15.527 -8.353 -5.560 1.00 0.00 C ATOM 915 OE1 GLU A 60 -16.504 -8.950 -5.063 1.00 0.00 O ATOM 916 OE2 GLU A 60 -14.934 -8.770 -6.572 1.00 0.00 O ATOM 0 H GLU A 60 -17.702 -4.306 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.177 -4.956 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -16.999 -6.351 -4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.331 -5.738 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.145 -6.732 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.758 -7.292 -3.874 1.00 0.00 H new ATOM 923 N GLU A 61 -15.115 -3.175 -6.011 1.00 0.00 N ATOM 924 CA GLU A 61 -14.251 -2.412 -6.910 1.00 0.00 C ATOM 925 C GLU A 61 -13.337 -1.462 -6.143 1.00 0.00 C ATOM 926 O GLU A 61 -12.164 -1.309 -6.488 1.00 0.00 O ATOM 927 CB GLU A 61 -15.089 -1.623 -7.918 1.00 0.00 C ATOM 928 CG GLU A 61 -15.368 -2.391 -9.198 1.00 0.00 C ATOM 929 CD GLU A 61 -14.099 -2.886 -9.863 1.00 0.00 C ATOM 930 OE1 GLU A 61 -13.189 -2.059 -10.108 1.00 0.00 O ATOM 931 OE2 GLU A 61 -14.002 -4.103 -10.137 1.00 0.00 O ATOM 0 H GLU A 61 -16.112 -3.055 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 61 -13.625 -3.128 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.036 -1.346 -7.455 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -14.571 -0.696 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.014 -3.241 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.912 -1.750 -9.892 1.00 0.00 H new ATOM 938 N GLU A 62 -13.873 -0.842 -5.099 1.00 0.00 N ATOM 939 CA GLU A 62 -13.105 0.094 -4.286 1.00 0.00 C ATOM 940 C GLU A 62 -11.977 -0.628 -3.563 1.00 0.00 C ATOM 941 O GLU A 62 -10.842 -0.147 -3.524 1.00 0.00 O ATOM 942 CB GLU A 62 -14.010 0.790 -3.270 1.00 0.00 C ATOM 943 CG GLU A 62 -15.060 1.687 -3.900 1.00 0.00 C ATOM 944 CD GLU A 62 -14.456 2.760 -4.786 1.00 0.00 C ATOM 945 OE1 GLU A 62 -13.428 3.356 -4.394 1.00 0.00 O ATOM 946 OE2 GLU A 62 -15.009 3.016 -5.873 1.00 0.00 O ATOM 0 H GLU A 62 -14.838 -0.970 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.675 0.846 -4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.508 0.034 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.394 1.385 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.746 1.078 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.648 2.159 -3.113 1.00 0.00 H new ATOM 953 N LEU A 63 -12.295 -1.787 -2.999 1.00 0.00 N ATOM 954 CA LEU A 63 -11.310 -2.584 -2.276 1.00 0.00 C ATOM 955 C LEU A 63 -10.210 -3.044 -3.220 1.00 0.00 C ATOM 956 O LEU A 63 -9.025 -2.899 -2.920 1.00 0.00 O ATOM 957 CB LEU A 63 -11.976 -3.787 -1.604 1.00 0.00 C ATOM 958 CG LEU A 63 -11.225 -4.358 -0.401 1.00 0.00 C ATOM 959 CD1 LEU A 63 -10.927 -3.267 0.614 1.00 0.00 C ATOM 960 CD2 LEU A 63 -12.029 -5.477 0.242 1.00 0.00 C ATOM 0 H LEU A 63 -13.229 -2.197 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.866 -1.962 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.976 -3.496 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.096 -4.577 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.277 -4.767 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.392 -3.695 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.313 -2.496 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.862 -2.826 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.481 -5.874 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.991 -5.088 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.192 -6.272 -0.485 1.00 0.00 H new ATOM 972 N ILE A 64 -10.613 -3.583 -4.366 1.00 0.00 N ATOM 973 CA ILE A 64 -9.661 -4.049 -5.366 1.00 0.00 C ATOM 974 C ILE A 64 -8.774 -2.894 -5.813 1.00 0.00 C ATOM 975 O ILE A 64 -7.565 -3.047 -5.962 1.00 0.00 O ATOM 976 CB ILE A 64 -10.382 -4.665 -6.590 1.00 0.00 C ATOM 977 CG1 ILE A 64 -11.209 -5.874 -6.151 1.00 0.00 C ATOM 978 CG2 ILE A 64 -9.376 -5.063 -7.664 1.00 0.00 C ATOM 979 CD1 ILE A 64 -12.324 -6.235 -7.104 1.00 0.00 C ATOM 0 H ILE A 64 -11.592 -3.708 -4.625 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.047 -4.827 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.051 -3.917 -7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.547 -6.733 -6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.636 -5.672 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.904 -5.494 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.822 -4.182 -7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.682 -5.798 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -12.863 -7.102 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -13.010 -5.393 -7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.905 -6.471 -8.082 1.00 0.00 H new ATOM 991 N ASN A 65 -9.390 -1.732 -5.986 1.00 0.00 N ATOM 992 CA ASN A 65 -8.680 -0.530 -6.407 1.00 0.00 C ATOM 993 C ASN A 65 -7.596 -0.137 -5.402 1.00 0.00 C ATOM 994 O ASN A 65 -6.421 -0.053 -5.752 1.00 0.00 O ATOM 995 CB ASN A 65 -9.677 0.625 -6.592 1.00 0.00 C ATOM 996 CG ASN A 65 -9.065 1.997 -6.355 1.00 0.00 C ATOM 997 OD1 ASN A 65 -8.387 2.545 -7.220 1.00 0.00 O ATOM 998 ND2 ASN A 65 -9.317 2.564 -5.182 1.00 0.00 N ATOM 0 H ASN A 65 -10.390 -1.596 -5.840 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.189 -0.742 -7.357 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.082 0.586 -7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.514 0.486 -5.907 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.943 3.489 -4.972 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.885 2.075 -4.491 1.00 0.00 H new ATOM 1005 N LYS A 66 -7.998 0.069 -4.152 1.00 0.00 N ATOM 1006 CA LYS A 66 -7.078 0.479 -3.093 1.00 0.00 C ATOM 1007 C LYS A 66 -5.913 -0.488 -2.935 1.00 0.00 C ATOM 1008 O LYS A 66 -4.759 -0.067 -2.878 1.00 0.00 O ATOM 1009 CB LYS A 66 -7.824 0.604 -1.766 1.00 0.00 C ATOM 1010 CG LYS A 66 -8.626 1.889 -1.627 1.00 0.00 C ATOM 1011 CD LYS A 66 -7.721 3.108 -1.579 1.00 0.00 C ATOM 1012 CE LYS A 66 -8.452 4.326 -1.039 1.00 0.00 C ATOM 1013 NZ LYS A 66 -9.581 4.732 -1.915 1.00 0.00 N ATOM 0 H LYS A 66 -8.964 -0.042 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.669 1.447 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.497 -0.246 -1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.104 0.547 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.317 1.980 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.229 1.846 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.855 2.895 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.345 3.322 -2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.829 4.109 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.752 5.156 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.822 5.727 -1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.305 4.621 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.408 4.133 -1.716 1.00 0.00 H new ATOM 1027 N LYS A 67 -6.215 -1.778 -2.891 1.00 0.00 N ATOM 1028 CA LYS A 67 -5.188 -2.798 -2.713 1.00 0.00 C ATOM 1029 C LYS A 67 -4.237 -2.860 -3.905 1.00 0.00 C ATOM 1030 O LYS A 67 -3.042 -3.109 -3.740 1.00 0.00 O ATOM 1031 CB LYS A 67 -5.843 -4.155 -2.465 1.00 0.00 C ATOM 1032 CG LYS A 67 -6.820 -4.121 -1.302 1.00 0.00 C ATOM 1033 CD LYS A 67 -7.269 -5.505 -0.882 1.00 0.00 C ATOM 1034 CE LYS A 67 -8.018 -5.449 0.438 1.00 0.00 C ATOM 1035 NZ LYS A 67 -8.176 -6.790 1.057 1.00 0.00 N ATOM 0 H LYS A 67 -7.163 -2.144 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.589 -2.528 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.366 -4.473 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.070 -4.898 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.353 -3.621 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.692 -3.529 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.910 -5.934 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.403 -6.160 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.485 -4.794 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.002 -5.008 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.171 -6.935 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.887 -7.522 0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.580 -6.852 1.907 1.00 0.00 H new ATOM 1049 N ARG A 68 -4.756 -2.621 -5.099 1.00 0.00 N ATOM 1050 CA ARG A 68 -3.925 -2.649 -6.295 1.00 0.00 C ATOM 1051 C ARG A 68 -3.046 -1.405 -6.369 1.00 0.00 C ATOM 1052 O ARG A 68 -1.883 -1.480 -6.765 1.00 0.00 O ATOM 1053 CB ARG A 68 -4.779 -2.766 -7.556 1.00 0.00 C ATOM 1054 CG ARG A 68 -5.355 -4.156 -7.776 1.00 0.00 C ATOM 1055 CD ARG A 68 -5.902 -4.314 -9.183 1.00 0.00 C ATOM 1056 NE ARG A 68 -4.845 -4.235 -10.186 1.00 0.00 N ATOM 1057 CZ ARG A 68 -4.952 -3.562 -11.330 1.00 0.00 C ATOM 1058 NH1 ARG A 68 -6.060 -2.883 -11.608 1.00 0.00 N ATOM 1059 NH2 ARG A 68 -3.947 -3.556 -12.191 1.00 0.00 N ATOM 0 H ARG A 68 -5.739 -2.407 -5.267 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.284 -3.528 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.597 -2.048 -7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.175 -2.492 -8.421 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.582 -4.904 -7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.149 -4.341 -7.053 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.414 -5.273 -9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.644 -3.538 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.970 -4.725 -9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.834 -2.876 -10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.137 -2.369 -12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.090 -4.067 -11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.029 -3.040 -13.067 1.00 0.00 H new ATOM 1073 N ILE A 69 -3.604 -0.266 -5.969 1.00 0.00 N ATOM 1074 CA ILE A 69 -2.876 0.999 -5.999 1.00 0.00 C ATOM 1075 C ILE A 69 -1.749 1.016 -4.974 1.00 0.00 C ATOM 1076 O ILE A 69 -0.611 1.346 -5.309 1.00 0.00 O ATOM 1077 CB ILE A 69 -3.806 2.214 -5.755 1.00 0.00 C ATOM 1078 CG1 ILE A 69 -4.874 2.306 -6.850 1.00 0.00 C ATOM 1079 CG2 ILE A 69 -3.000 3.507 -5.692 1.00 0.00 C ATOM 1080 CD1 ILE A 69 -4.317 2.580 -8.233 1.00 0.00 C ATOM 0 H ILE A 69 -4.560 -0.193 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.453 1.083 -7.000 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.304 2.071 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.436 1.372 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.579 3.096 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.673 4.347 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.279 3.447 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.471 3.652 -6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.135 2.631 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.780 3.528 -8.228 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.635 1.778 -8.516 1.00 0.00 H new ATOM 1092 N ILE A 70 -2.058 0.650 -3.734 1.00 0.00 N ATOM 1093 CA ILE A 70 -1.053 0.639 -2.677 1.00 0.00 C ATOM 1094 C ILE A 70 0.109 -0.286 -3.040 1.00 0.00 C ATOM 1095 O ILE A 70 1.273 0.083 -2.887 1.00 0.00 O ATOM 1096 CB ILE A 70 -1.649 0.245 -1.301 1.00 0.00 C ATOM 1097 CG1 ILE A 70 -0.570 0.276 -0.215 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -2.309 -1.126 -1.350 1.00 0.00 C ATOM 1099 CD1 ILE A 70 -0.024 1.659 0.056 1.00 0.00 C ATOM 0 H ILE A 70 -2.990 0.359 -3.438 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.678 1.658 -2.588 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.417 0.978 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.984 -0.130 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.250 -0.378 -0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.716 -1.369 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.115 -1.116 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.570 -1.876 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.735 1.604 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.420 2.060 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.833 2.312 0.383 1.00 0.00 H new ATOM 1111 N GLU A 71 -0.210 -1.471 -3.550 1.00 0.00 N ATOM 1112 CA GLU A 71 0.810 -2.429 -3.948 1.00 0.00 C ATOM 1113 C GLU A 71 1.651 -1.856 -5.083 1.00 0.00 C ATOM 1114 O GLU A 71 2.880 -1.947 -5.077 1.00 0.00 O ATOM 1115 CB GLU A 71 0.161 -3.741 -4.387 1.00 0.00 C ATOM 1116 CG GLU A 71 1.171 -4.825 -4.697 1.00 0.00 C ATOM 1117 CD GLU A 71 0.965 -5.465 -6.054 1.00 0.00 C ATOM 1118 OE1 GLU A 71 -0.152 -5.374 -6.606 1.00 0.00 O ATOM 1119 OE2 GLU A 71 1.928 -6.063 -6.580 1.00 0.00 O ATOM 0 H GLU A 71 -1.168 -1.789 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 71 1.457 -2.627 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.509 -4.090 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.452 -3.559 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.174 -4.401 -4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.115 -5.595 -3.928 1.00 0.00 H new ATOM 1126 N LYS A 72 0.968 -1.261 -6.053 1.00 0.00 N ATOM 1127 CA LYS A 72 1.624 -0.649 -7.203 1.00 0.00 C ATOM 1128 C LYS A 72 2.616 0.421 -6.758 1.00 0.00 C ATOM 1129 O LYS A 72 3.741 0.472 -7.252 1.00 0.00 O ATOM 1130 CB LYS A 72 0.585 -0.033 -8.146 1.00 0.00 C ATOM 1131 CG LYS A 72 1.191 0.615 -9.384 1.00 0.00 C ATOM 1132 CD LYS A 72 0.120 1.131 -10.331 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.547 2.389 -9.798 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.694 2.811 -10.649 1.00 0.00 N ATOM 0 H LYS A 72 -0.049 -1.189 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 72 2.169 -1.430 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.115 -0.808 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.010 0.715 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.838 1.439 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.818 -0.110 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.565 1.340 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.633 0.358 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.895 2.212 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.185 3.195 -9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.122 3.672 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.358 3.004 -11.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.404 2.052 -10.676 1.00 0.00 H new ATOM 1148 N VAL A 73 2.200 1.264 -5.821 1.00 0.00 N ATOM 1149 CA VAL A 73 3.061 2.329 -5.317 1.00 0.00 C ATOM 1150 C VAL A 73 4.292 1.743 -4.629 1.00 0.00 C ATOM 1151 O VAL A 73 5.407 2.218 -4.836 1.00 0.00 O ATOM 1152 CB VAL A 73 2.307 3.267 -4.350 1.00 0.00 C ATOM 1153 CG1 VAL A 73 3.242 4.308 -3.749 1.00 0.00 C ATOM 1154 CG2 VAL A 73 1.155 3.947 -5.073 1.00 0.00 C ATOM 0 H VAL A 73 1.274 1.232 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 73 3.380 2.922 -6.174 1.00 0.00 H new ATOM 0 HB VAL A 73 1.909 2.663 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.681 4.953 -3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.037 3.807 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.677 4.910 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.630 4.606 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.543 4.531 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.465 3.192 -5.449 1.00 0.00 H new ATOM 1164 N ILE A 74 4.089 0.696 -3.834 1.00 0.00 N ATOM 1165 CA ILE A 74 5.197 0.043 -3.142 1.00 0.00 C ATOM 1166 C ILE A 74 6.191 -0.506 -4.165 1.00 0.00 C ATOM 1167 O ILE A 74 7.404 -0.353 -4.019 1.00 0.00 O ATOM 1168 CB ILE A 74 4.706 -1.105 -2.228 1.00 0.00 C ATOM 1169 CG1 ILE A 74 3.809 -0.554 -1.116 1.00 0.00 C ATOM 1170 CG2 ILE A 74 5.888 -1.861 -1.631 1.00 0.00 C ATOM 1171 CD1 ILE A 74 3.106 -1.627 -0.312 1.00 0.00 C ATOM 0 H ILE A 74 3.174 0.283 -3.653 1.00 0.00 H new ATOM 0 HA ILE A 74 5.682 0.789 -2.512 1.00 0.00 H new ATOM 0 HB ILE A 74 4.124 -1.801 -2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.413 0.055 -0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.061 0.105 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.521 -2.664 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.492 -2.284 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.497 -1.176 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.489 -1.161 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.475 -2.222 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.847 -2.272 0.160 1.00 0.00 H new ATOM 1183 N HIS A 75 5.655 -1.128 -5.209 1.00 0.00 N ATOM 1184 CA HIS A 75 6.470 -1.691 -6.280 1.00 0.00 C ATOM 1185 C HIS A 75 7.190 -0.577 -7.046 1.00 0.00 C ATOM 1186 O HIS A 75 8.337 -0.730 -7.467 1.00 0.00 O ATOM 1187 CB HIS A 75 5.579 -2.505 -7.227 1.00 0.00 C ATOM 1188 CG HIS A 75 6.233 -2.893 -8.522 1.00 0.00 C ATOM 1189 ND1 HIS A 75 7.406 -3.614 -8.589 1.00 0.00 N ATOM 1190 CD2 HIS A 75 5.869 -2.654 -9.804 1.00 0.00 C ATOM 1191 CE1 HIS A 75 7.731 -3.804 -9.852 1.00 0.00 C ATOM 1192 NE2 HIS A 75 6.816 -3.233 -10.607 1.00 0.00 N ATOM 0 H HIS A 75 4.651 -1.256 -5.337 1.00 0.00 H new ATOM 0 HA HIS A 75 7.225 -2.348 -5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.256 -3.410 -6.713 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.682 -1.927 -7.447 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.996 -2.109 -10.132 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.600 -4.337 -10.207 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.813 -3.223 -11.627 1.00 0.00 H new ATOM 1201 N ARG A 76 6.506 0.540 -7.218 1.00 0.00 N ATOM 1202 CA ARG A 76 7.061 1.679 -7.925 1.00 0.00 C ATOM 1203 C ARG A 76 8.163 2.346 -7.102 1.00 0.00 C ATOM 1204 O ARG A 76 9.211 2.715 -7.630 1.00 0.00 O ATOM 1205 CB ARG A 76 5.951 2.677 -8.247 1.00 0.00 C ATOM 1206 CG ARG A 76 6.442 3.934 -8.939 1.00 0.00 C ATOM 1207 CD ARG A 76 5.294 4.855 -9.312 1.00 0.00 C ATOM 1208 NE ARG A 76 4.633 4.432 -10.544 1.00 0.00 N ATOM 1209 CZ ARG A 76 4.336 5.254 -11.550 1.00 0.00 C ATOM 1210 NH1 ARG A 76 4.629 6.546 -11.463 1.00 0.00 N ATOM 1211 NH2 ARG A 76 3.741 4.784 -12.640 1.00 0.00 N ATOM 0 H ARG A 76 5.556 0.682 -6.874 1.00 0.00 H new ATOM 0 HA ARG A 76 7.505 1.330 -8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.210 2.190 -8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.446 2.956 -7.322 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.135 4.463 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.997 3.662 -9.837 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.568 4.877 -8.500 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.669 5.872 -9.432 1.00 0.00 H new ATOM 0 HE ARG A 76 4.384 3.448 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.082 6.911 -10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.401 7.174 -12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.511 3.793 -12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.514 5.414 -13.409 1.00 0.00 H new ATOM 1225 N LEU A 77 7.932 2.474 -5.805 1.00 0.00 N ATOM 1226 CA LEU A 77 8.898 3.097 -4.908 1.00 0.00 C ATOM 1227 C LEU A 77 10.180 2.268 -4.811 1.00 0.00 C ATOM 1228 O LEU A 77 11.277 2.817 -4.689 1.00 0.00 O ATOM 1229 CB LEU A 77 8.273 3.283 -3.516 1.00 0.00 C ATOM 1230 CG LEU A 77 9.003 2.596 -2.358 1.00 0.00 C ATOM 1231 CD1 LEU A 77 9.770 3.608 -1.533 1.00 0.00 C ATOM 1232 CD2 LEU A 77 8.022 1.834 -1.481 1.00 0.00 C ATOM 0 H LEU A 77 7.079 2.153 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 77 9.164 4.073 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.218 4.351 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.249 2.911 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 77 9.713 1.885 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.281 3.099 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.504 4.110 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.078 4.345 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.561 1.353 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.286 2.526 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.515 1.075 -2.077 1.00 0.00 H new ATOM 1244 N THR A 78 10.038 0.953 -4.899 1.00 0.00 N ATOM 1245 CA THR A 78 11.173 0.049 -4.785 1.00 0.00 C ATOM 1246 C THR A 78 11.880 -0.184 -6.121 1.00 0.00 C ATOM 1247 O THR A 78 12.818 -0.981 -6.194 1.00 0.00 O ATOM 1248 CB THR A 78 10.728 -1.310 -4.210 1.00 0.00 C ATOM 1249 OG1 THR A 78 9.508 -1.731 -4.832 1.00 0.00 O ATOM 1250 CG2 THR A 78 10.522 -1.224 -2.706 1.00 0.00 C ATOM 0 H THR A 78 9.143 0.487 -5.050 1.00 0.00 H new ATOM 0 HA THR A 78 11.880 0.531 -4.110 1.00 0.00 H new ATOM 0 HB THR A 78 11.515 -2.036 -4.415 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.750 -1.493 -4.259 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.208 -2.196 -2.326 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.456 -0.931 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.753 -0.483 -2.486 1.00 0.00 H new ATOM 1258 N HIS A 79 11.451 0.506 -7.173 1.00 0.00 N ATOM 1259 CA HIS A 79 12.070 0.322 -8.484 1.00 0.00 C ATOM 1260 C HIS A 79 12.181 1.628 -9.264 1.00 0.00 C ATOM 1261 O HIS A 79 13.280 2.061 -9.605 1.00 0.00 O ATOM 1262 CB HIS A 79 11.279 -0.701 -9.298 1.00 0.00 C ATOM 1263 CG HIS A 79 11.988 -2.005 -9.470 1.00 0.00 C ATOM 1264 ND1 HIS A 79 12.451 -2.449 -10.686 1.00 0.00 N ATOM 1265 CD2 HIS A 79 12.311 -2.966 -8.574 1.00 0.00 C ATOM 1266 CE1 HIS A 79 13.025 -3.624 -10.531 1.00 0.00 C ATOM 1267 NE2 HIS A 79 12.957 -3.962 -9.260 1.00 0.00 N ATOM 0 H HIS A 79 10.691 1.186 -7.148 1.00 0.00 H new ATOM 0 HA HIS A 79 13.083 -0.043 -8.313 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.321 -0.879 -8.810 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.063 -0.282 -10.281 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.099 -2.951 -7.515 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.477 -4.213 -11.316 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.324 -4.822 -8.853 1.00 0.00 H new ATOM 1276 N TYR A 80 11.046 2.252 -9.541 1.00 0.00 N ATOM 1277 CA TYR A 80 11.013 3.497 -10.304 1.00 0.00 C ATOM 1278 C TYR A 80 11.522 4.673 -9.480 1.00 0.00 C ATOM 1279 O TYR A 80 12.452 5.371 -9.883 1.00 0.00 O ATOM 1280 CB TYR A 80 9.586 3.797 -10.776 1.00 0.00 C ATOM 1281 CG TYR A 80 8.992 2.744 -11.684 1.00 0.00 C ATOM 1282 CD1 TYR A 80 8.437 1.583 -11.163 1.00 0.00 C ATOM 1283 CD2 TYR A 80 8.979 2.918 -13.059 1.00 0.00 C ATOM 1284 CE1 TYR A 80 7.888 0.625 -11.988 1.00 0.00 C ATOM 1285 CE2 TYR A 80 8.428 1.965 -13.892 1.00 0.00 C ATOM 1286 CZ TYR A 80 7.885 0.822 -13.352 1.00 0.00 C ATOM 1287 OH TYR A 80 7.331 -0.130 -14.178 1.00 0.00 O ATOM 0 H TYR A 80 10.129 1.916 -9.248 1.00 0.00 H new ATOM 0 HA TYR A 80 11.668 3.366 -11.165 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.944 3.910 -9.902 1.00 0.00 H new ATOM 0 HB3 TYR A 80 9.583 4.753 -11.299 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.435 1.428 -10.094 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.407 3.813 -13.485 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.463 -0.275 -11.568 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.423 2.116 -14.961 1.00 0.00 H new ATOM 0 HH TYR A 80 7.408 0.161 -15.111 1.00 0.00 H new ATOM 1297 N ASP A 81 10.905 4.882 -8.323 1.00 0.00 N ATOM 1298 CA ASP A 81 11.269 5.988 -7.443 1.00 0.00 C ATOM 1299 C ASP A 81 12.694 5.854 -6.928 1.00 0.00 C ATOM 1300 O ASP A 81 13.453 6.825 -6.928 1.00 0.00 O ATOM 1301 CB ASP A 81 10.303 6.071 -6.263 1.00 0.00 C ATOM 1302 CG ASP A 81 9.440 7.313 -6.312 1.00 0.00 C ATOM 1303 OD1 ASP A 81 9.968 8.419 -6.078 1.00 0.00 O ATOM 1304 OD2 ASP A 81 8.228 7.185 -6.591 1.00 0.00 O ATOM 0 H ASP A 81 10.147 4.298 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 81 11.206 6.904 -8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.664 5.188 -6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.869 6.062 -5.332 1.00 0.00 H new ATOM 1309 N HIS A 82 13.044 4.644 -6.487 1.00 0.00 N ATOM 1310 CA HIS A 82 14.377 4.352 -5.954 1.00 0.00 C ATOM 1311 C HIS A 82 14.619 5.133 -4.659 1.00 0.00 C ATOM 1312 O HIS A 82 15.756 5.420 -4.287 1.00 0.00 O ATOM 1313 CB HIS A 82 15.465 4.666 -6.997 1.00 0.00 C ATOM 1314 CG HIS A 82 16.833 4.160 -6.631 1.00 0.00 C ATOM 1315 ND1 HIS A 82 17.982 4.890 -6.835 1.00 0.00 N ATOM 1316 CD2 HIS A 82 17.230 2.994 -6.069 1.00 0.00 C ATOM 1317 CE1 HIS A 82 19.020 4.196 -6.418 1.00 0.00 C ATOM 1318 NE2 HIS A 82 18.596 3.041 -5.944 1.00 0.00 N ATOM 0 H HIS A 82 12.414 3.842 -6.489 1.00 0.00 H new ATOM 0 HA HIS A 82 14.430 3.287 -5.726 1.00 0.00 H new ATOM 0 HB2 HIS A 82 15.173 4.231 -7.953 1.00 0.00 H new ATOM 0 HB3 HIS A 82 15.515 5.745 -7.140 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.589 2.177 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 82 20.050 4.520 -6.458 1.00 0.00 H new ATOM 0 HE2 HIS A 82 19.184 2.306 -5.551 1.00 0.00 H new ATOM 1327 N VAL A 83 13.540 5.463 -3.963 1.00 0.00 N ATOM 1328 CA VAL A 83 13.642 6.196 -2.706 1.00 0.00 C ATOM 1329 C VAL A 83 13.637 5.220 -1.535 1.00 0.00 C ATOM 1330 O VAL A 83 13.482 5.605 -0.376 1.00 0.00 O ATOM 1331 CB VAL A 83 12.497 7.216 -2.537 1.00 0.00 C ATOM 1332 CG1 VAL A 83 12.569 8.287 -3.613 1.00 0.00 C ATOM 1333 CG2 VAL A 83 11.146 6.524 -2.566 1.00 0.00 C ATOM 0 H VAL A 83 12.586 5.236 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 83 14.580 6.750 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 83 12.614 7.695 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.753 8.996 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.522 8.812 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.484 7.822 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.355 7.264 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.020 6.011 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.091 5.799 -1.754 1.00 0.00 H new ATOM 1343 N LEU A 84 13.817 3.950 -1.866 1.00 0.00 N ATOM 1344 CA LEU A 84 13.846 2.886 -0.883 1.00 0.00 C ATOM 1345 C LEU A 84 15.278 2.667 -0.400 1.00 0.00 C ATOM 1346 O LEU A 84 16.197 2.488 -1.200 1.00 0.00 O ATOM 1347 CB LEU A 84 13.285 1.598 -1.510 1.00 0.00 C ATOM 1348 CG LEU A 84 12.703 0.567 -0.533 1.00 0.00 C ATOM 1349 CD1 LEU A 84 13.812 -0.196 0.173 1.00 0.00 C ATOM 1350 CD2 LEU A 84 11.781 1.238 0.476 1.00 0.00 C ATOM 0 H LEU A 84 13.947 3.631 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 84 13.230 3.160 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 84 12.506 1.874 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.081 1.119 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 84 12.114 -0.148 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.375 -0.921 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.422 -0.718 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.436 0.502 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.380 0.488 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.342 1.981 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.960 1.726 -0.050 1.00 0.00 H new ATOM 1362 N ILE A 85 15.459 2.707 0.910 1.00 0.00 N ATOM 1363 CA ILE A 85 16.761 2.516 1.529 1.00 0.00 C ATOM 1364 C ILE A 85 16.912 1.077 2.002 1.00 0.00 C ATOM 1365 O ILE A 85 16.056 0.563 2.724 1.00 0.00 O ATOM 1366 CB ILE A 85 16.954 3.447 2.746 1.00 0.00 C ATOM 1367 CG1 ILE A 85 16.305 4.809 2.501 1.00 0.00 C ATOM 1368 CG2 ILE A 85 18.433 3.619 3.054 1.00 0.00 C ATOM 1369 CD1 ILE A 85 16.044 5.586 3.772 1.00 0.00 C ATOM 0 H ILE A 85 14.705 2.873 1.576 1.00 0.00 H new ATOM 0 HA ILE A 85 17.512 2.752 0.775 1.00 0.00 H new ATOM 0 HB ILE A 85 16.467 2.985 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 85 16.950 5.399 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.363 4.665 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.551 4.278 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.873 2.647 3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 85 18.936 4.055 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 85 15.583 6.542 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.375 5.016 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 85 16.986 5.761 4.291 1.00 0.00 H new ATOM 1381 N GLU A 86 17.977 0.426 1.573 1.00 0.00 N ATOM 1382 CA GLU A 86 18.246 -0.942 1.976 1.00 0.00 C ATOM 1383 C GLU A 86 19.745 -1.170 2.082 1.00 0.00 C ATOM 1384 O GLU A 86 20.521 -0.629 1.293 1.00 0.00 O ATOM 1385 CB GLU A 86 17.625 -1.938 0.993 1.00 0.00 C ATOM 1386 CG GLU A 86 18.159 -1.816 -0.423 1.00 0.00 C ATOM 1387 CD GLU A 86 17.686 -2.942 -1.315 1.00 0.00 C ATOM 1388 OE1 GLU A 86 18.320 -4.017 -1.311 1.00 0.00 O ATOM 1389 OE2 GLU A 86 16.681 -2.757 -2.031 1.00 0.00 O ATOM 0 H GLU A 86 18.673 0.825 0.943 1.00 0.00 H new ATOM 0 HA GLU A 86 17.792 -1.105 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.806 -2.951 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.545 -1.793 0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.843 -0.863 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.249 -1.808 -0.398 1.00 0.00 H new ATOM 1672 N TYR A 107 16.708 -3.585 6.641 1.00 0.00 N ATOM 1673 CA TYR A 107 15.495 -3.965 5.932 1.00 0.00 C ATOM 1674 C TYR A 107 15.122 -2.917 4.893 1.00 0.00 C ATOM 1675 O TYR A 107 15.997 -2.266 4.316 1.00 0.00 O ATOM 1676 CB TYR A 107 14.339 -4.185 6.908 1.00 0.00 C ATOM 1677 CG TYR A 107 14.398 -5.510 7.634 1.00 0.00 C ATOM 1678 CD1 TYR A 107 13.846 -6.654 7.076 1.00 0.00 C ATOM 1679 CD2 TYR A 107 15.004 -5.611 8.876 1.00 0.00 C ATOM 1680 CE1 TYR A 107 13.901 -7.866 7.738 1.00 0.00 C ATOM 1681 CE2 TYR A 107 15.063 -6.818 9.544 1.00 0.00 C ATOM 1682 CZ TYR A 107 14.510 -7.941 8.973 1.00 0.00 C ATOM 1683 OH TYR A 107 14.568 -9.147 9.636 1.00 0.00 O ATOM 0 HA TYR A 107 15.691 -4.905 5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.337 -3.379 7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.398 -4.122 6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 107 13.366 -6.597 6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 107 15.437 -4.731 9.329 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.470 -8.749 7.291 1.00 0.00 H new ATOM 0 HE2 TYR A 107 15.541 -6.880 10.510 1.00 0.00 H new ATOM 0 HH TYR A 107 15.031 -9.028 10.492 1.00 0.00 H new ATOM 1693 N LEU A 108 13.829 -2.762 4.650 1.00 0.00 N ATOM 1694 CA LEU A 108 13.348 -1.800 3.676 1.00 0.00 C ATOM 1695 C LEU A 108 12.765 -0.593 4.379 1.00 0.00 C ATOM 1696 O LEU A 108 11.863 -0.723 5.203 1.00 0.00 O ATOM 1697 CB LEU A 108 12.284 -2.422 2.767 1.00 0.00 C ATOM 1698 CG LEU A 108 12.749 -3.591 1.895 1.00 0.00 C ATOM 1699 CD1 LEU A 108 14.193 -3.407 1.463 1.00 0.00 C ATOM 1700 CD2 LEU A 108 12.560 -4.914 2.627 1.00 0.00 C ATOM 0 H LEU A 108 13.094 -3.293 5.117 1.00 0.00 H new ATOM 0 HA LEU A 108 14.195 -1.493 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.458 -2.765 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.890 -1.642 2.115 1.00 0.00 H new ATOM 0 HG LEU A 108 12.134 -3.611 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.498 -4.251 0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.287 -2.485 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.832 -3.353 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.896 -5.733 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.143 -4.907 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.505 -5.050 2.866 1.00 0.00 H new ATOM 1712 N VAL A 109 13.281 0.573 4.046 1.00 0.00 N ATOM 1713 CA VAL A 109 12.816 1.814 4.641 1.00 0.00 C ATOM 1714 C VAL A 109 12.695 2.883 3.560 1.00 0.00 C ATOM 1715 O VAL A 109 13.540 2.975 2.676 1.00 0.00 O ATOM 1716 CB VAL A 109 13.755 2.288 5.789 1.00 0.00 C ATOM 1717 CG1 VAL A 109 15.210 1.965 5.480 1.00 0.00 C ATOM 1718 CG2 VAL A 109 13.593 3.779 6.076 1.00 0.00 C ATOM 0 H VAL A 109 14.028 0.689 3.361 1.00 0.00 H new ATOM 0 HA VAL A 109 11.836 1.638 5.084 1.00 0.00 H new ATOM 0 HB VAL A 109 13.461 1.741 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 109 15.841 2.308 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 109 15.326 0.888 5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 109 15.507 2.467 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.266 4.069 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 109 13.834 4.350 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 109 12.564 3.983 6.370 1.00 0.00 H new ATOM 1728 N VAL A 110 11.642 3.681 3.618 1.00 0.00 N ATOM 1729 CA VAL A 110 11.427 4.714 2.621 1.00 0.00 C ATOM 1730 C VAL A 110 11.810 6.092 3.160 1.00 0.00 C ATOM 1731 O VAL A 110 11.641 6.375 4.348 1.00 0.00 O ATOM 1732 CB VAL A 110 9.958 4.709 2.129 1.00 0.00 C ATOM 1733 CG1 VAL A 110 8.985 4.783 3.295 1.00 0.00 C ATOM 1734 CG2 VAL A 110 9.697 5.840 1.146 1.00 0.00 C ATOM 0 H VAL A 110 10.926 3.633 4.342 1.00 0.00 H new ATOM 0 HA VAL A 110 12.074 4.494 1.772 1.00 0.00 H new ATOM 0 HB VAL A 110 9.796 3.765 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.963 4.778 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.134 3.924 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.159 5.701 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 110 8.657 5.807 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.896 6.796 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.351 5.729 0.281 1.00 0.00 H new ATOM 1744 N ASN A 111 12.369 6.920 2.283 1.00 0.00 N ATOM 1745 CA ASN A 111 12.772 8.275 2.643 1.00 0.00 C ATOM 1746 C ASN A 111 11.568 9.089 3.097 1.00 0.00 C ATOM 1747 O ASN A 111 10.452 8.875 2.623 1.00 0.00 O ATOM 1748 CB ASN A 111 13.416 8.984 1.445 1.00 0.00 C ATOM 1749 CG ASN A 111 14.868 8.612 1.221 1.00 0.00 C ATOM 1750 OD1 ASN A 111 15.580 8.228 2.144 1.00 0.00 O ATOM 1751 ND2 ASN A 111 15.316 8.745 -0.017 1.00 0.00 N ATOM 0 H ASN A 111 12.554 6.674 1.311 1.00 0.00 H new ATOM 0 HA ASN A 111 13.494 8.199 3.457 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.847 8.747 0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.345 10.062 1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.288 8.525 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.689 9.068 -0.754 1.00 0.00 H new ATOM 1758 N PRO A 112 11.779 10.048 4.012 1.00 0.00 N ATOM 1759 CA PRO A 112 10.703 10.910 4.511 1.00 0.00 C ATOM 1760 C PRO A 112 10.296 11.951 3.471 1.00 0.00 C ATOM 1761 O PRO A 112 9.424 12.792 3.706 1.00 0.00 O ATOM 1762 CB PRO A 112 11.331 11.580 5.733 1.00 0.00 C ATOM 1763 CG PRO A 112 12.794 11.593 5.450 1.00 0.00 C ATOM 1764 CD PRO A 112 13.077 10.356 4.642 1.00 0.00 C ATOM 0 HA PRO A 112 9.792 10.358 4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.946 12.590 5.872 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.109 11.026 6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 112 13.076 12.490 4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 112 13.369 11.593 6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.852 10.533 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.421 9.536 5.272 1.00 0.00 H new ATOM 1772 N ASN A 113 10.942 11.878 2.316 1.00 0.00 N ATOM 1773 CA ASN A 113 10.678 12.790 1.223 1.00 0.00 C ATOM 1774 C ASN A 113 10.195 12.031 0.005 1.00 0.00 C ATOM 1775 O ASN A 113 10.990 11.580 -0.820 1.00 0.00 O ATOM 1776 CB ASN A 113 11.927 13.597 0.864 1.00 0.00 C ATOM 1777 CG ASN A 113 12.306 14.584 1.943 1.00 0.00 C ATOM 1778 OD1 ASN A 113 13.238 14.353 2.711 1.00 0.00 O ATOM 1779 ND2 ASN A 113 11.581 15.685 2.012 1.00 0.00 N ATOM 0 H ASN A 113 11.662 11.184 2.115 1.00 0.00 H new ATOM 0 HA ASN A 113 9.900 13.481 1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.759 12.915 0.691 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.754 14.132 -0.070 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.785 16.386 2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.817 15.834 1.353 1.00 0.00 H new ATOM 1786 N TYR A 114 8.889 11.864 -0.084 1.00 0.00 N ATOM 1787 CA TYR A 114 8.286 11.175 -1.209 1.00 0.00 C ATOM 1788 C TYR A 114 7.600 12.190 -2.108 1.00 0.00 C ATOM 1789 O TYR A 114 6.839 13.037 -1.633 1.00 0.00 O ATOM 1790 CB TYR A 114 7.287 10.117 -0.736 1.00 0.00 C ATOM 1791 CG TYR A 114 7.062 9.022 -1.756 1.00 0.00 C ATOM 1792 CD1 TYR A 114 6.187 9.203 -2.818 1.00 0.00 C ATOM 1793 CD2 TYR A 114 7.735 7.811 -1.662 1.00 0.00 C ATOM 1794 CE1 TYR A 114 5.986 8.210 -3.757 1.00 0.00 C ATOM 1795 CE2 TYR A 114 7.543 6.813 -2.598 1.00 0.00 C ATOM 1796 CZ TYR A 114 6.665 7.016 -3.645 1.00 0.00 C ATOM 1797 OH TYR A 114 6.481 6.032 -4.588 1.00 0.00 O ATOM 0 H TYR A 114 8.223 12.198 0.613 1.00 0.00 H new ATOM 0 HA TYR A 114 9.068 10.662 -1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 114 7.647 9.674 0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.335 10.598 -0.511 1.00 0.00 H new ATOM 0 HD1 TYR A 114 5.653 10.137 -2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 114 8.420 7.646 -0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.300 8.369 -4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.077 5.878 -2.511 1.00 0.00 H new ATOM 0 HH TYR A 114 7.023 6.232 -5.380 1.00 0.00 H new ATOM 1807 N LEU A 115 7.875 12.113 -3.396 1.00 0.00 N ATOM 1808 CA LEU A 115 7.291 13.043 -4.344 1.00 0.00 C ATOM 1809 C LEU A 115 6.392 12.329 -5.344 1.00 0.00 C ATOM 1810 O LEU A 115 6.308 11.099 -5.361 1.00 0.00 O ATOM 1811 CB LEU A 115 8.373 13.877 -5.076 1.00 0.00 C ATOM 1812 CG LEU A 115 9.651 13.155 -5.574 1.00 0.00 C ATOM 1813 CD1 LEU A 115 10.556 12.765 -4.413 1.00 0.00 C ATOM 1814 CD2 LEU A 115 9.316 11.937 -6.427 1.00 0.00 C ATOM 0 H LEU A 115 8.497 11.418 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 115 6.674 13.734 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.901 14.349 -5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.685 14.678 -4.405 1.00 0.00 H new ATOM 0 HG LEU A 115 10.191 13.862 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.443 12.261 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.855 13.660 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.019 12.094 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.238 11.459 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.731 11.230 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.739 12.250 -7.297 1.00 0.00 H new ATOM 2020 N LEU B 390 -5.608 -9.104 -2.127 1.00 0.00 N ATOM 2021 CA LEU B 390 -6.955 -9.263 -2.670 1.00 0.00 C ATOM 2022 C LEU B 390 -7.622 -10.550 -2.182 1.00 0.00 C ATOM 2023 O LEU B 390 -8.840 -10.687 -2.267 1.00 0.00 O ATOM 2024 CB LEU B 390 -6.906 -9.243 -4.200 1.00 0.00 C ATOM 2025 CG LEU B 390 -7.715 -8.125 -4.869 1.00 0.00 C ATOM 2026 CD1 LEU B 390 -7.287 -6.756 -4.357 1.00 0.00 C ATOM 2027 CD2 LEU B 390 -7.568 -8.198 -6.378 1.00 0.00 C ATOM 0 HA LEU B 390 -7.556 -8.428 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU B 390 -5.866 -9.152 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU B 390 -7.268 -10.202 -4.571 1.00 0.00 H new ATOM 0 HG LEU B 390 -8.765 -8.266 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU B 390 -7.877 -5.983 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU B 390 -7.446 -6.704 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU B 390 -6.231 -6.600 -4.575 1.00 0.00 H new ATOM 0 HD21 LEU B 390 -8.148 -7.398 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU B 390 -6.518 -8.086 -6.647 1.00 0.00 H new ATOM 0 HD23 LEU B 390 -7.933 -9.162 -6.733 1.00 0.00 H new ATOM 2039 N GLU B 391 -6.828 -11.473 -1.638 1.00 0.00 N ATOM 2040 CA GLU B 391 -7.347 -12.753 -1.145 1.00 0.00 C ATOM 2041 C GLU B 391 -8.304 -12.556 0.030 1.00 0.00 C ATOM 2042 O GLU B 391 -9.009 -13.478 0.429 1.00 0.00 O ATOM 2043 CB GLU B 391 -6.200 -13.666 -0.721 1.00 0.00 C ATOM 2044 CG GLU B 391 -5.342 -14.143 -1.880 1.00 0.00 C ATOM 2045 CD GLU B 391 -4.201 -15.034 -1.440 1.00 0.00 C ATOM 2046 OE1 GLU B 391 -3.853 -15.019 -0.238 1.00 0.00 O ATOM 2047 OE2 GLU B 391 -3.644 -15.755 -2.295 1.00 0.00 O ATOM 0 H GLU B 391 -5.820 -11.359 -1.527 1.00 0.00 H new ATOM 0 HA GLU B 391 -7.898 -13.217 -1.963 1.00 0.00 H new ATOM 0 HB2 GLU B 391 -5.569 -13.136 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU B 391 -6.609 -14.533 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU B 391 -5.967 -14.685 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU B 391 -4.939 -13.278 -2.407 1.00 0.00 H new ATOM 2054 N ARG B 392 -8.312 -11.359 0.588 1.00 0.00 N ATOM 2055 CA ARG B 392 -9.192 -11.043 1.702 1.00 0.00 C ATOM 2056 C ARG B 392 -10.572 -10.640 1.183 1.00 0.00 C ATOM 2057 O ARG B 392 -11.572 -10.713 1.891 1.00 0.00 O ATOM 2058 CB ARG B 392 -8.587 -9.910 2.537 1.00 0.00 C ATOM 2059 CG ARG B 392 -9.486 -9.445 3.666 1.00 0.00 C ATOM 2060 CD ARG B 392 -8.915 -8.230 4.387 1.00 0.00 C ATOM 2061 NE ARG B 392 -7.480 -8.362 4.647 1.00 0.00 N ATOM 2062 CZ ARG B 392 -6.705 -7.384 5.114 1.00 0.00 C ATOM 2063 NH1 ARG B 392 -7.232 -6.205 5.443 1.00 0.00 N ATOM 2064 NH2 ARG B 392 -5.401 -7.595 5.270 1.00 0.00 N ATOM 0 H ARG B 392 -7.718 -10.586 0.288 1.00 0.00 H new ATOM 0 HA ARG B 392 -9.301 -11.926 2.332 1.00 0.00 H new ATOM 0 HB2 ARG B 392 -7.637 -10.244 2.954 1.00 0.00 H new ATOM 0 HB3 ARG B 392 -8.369 -9.064 1.884 1.00 0.00 H new ATOM 0 HG2 ARG B 392 -10.471 -9.201 3.268 1.00 0.00 H new ATOM 0 HG3 ARG B 392 -9.623 -10.258 4.379 1.00 0.00 H new ATOM 0 HD2 ARG B 392 -9.093 -7.337 3.787 1.00 0.00 H new ATOM 0 HD3 ARG B 392 -9.442 -8.090 5.331 1.00 0.00 H new ATOM 0 HE ARG B 392 -7.044 -9.264 4.458 1.00 0.00 H new ATOM 0 HH11 ARG B 392 -8.234 -6.047 5.338 1.00 0.00 H new ATOM 0 HH12 ARG B 392 -6.633 -5.460 5.800 1.00 0.00 H new ATOM 0 HH21 ARG B 392 -4.999 -8.502 5.032 1.00 0.00 H new ATOM 0 HH22 ARG B 392 -4.803 -6.850 5.627 1.00 0.00 H new ATOM 2078 N ILE B 393 -10.614 -10.235 -0.077 1.00 0.00 N ATOM 2079 CA ILE B 393 -11.855 -9.791 -0.702 1.00 0.00 C ATOM 2080 C ILE B 393 -12.837 -10.941 -0.909 1.00 0.00 C ATOM 2081 O ILE B 393 -14.046 -10.753 -0.811 1.00 0.00 O ATOM 2082 CB ILE B 393 -11.588 -9.097 -2.049 1.00 0.00 C ATOM 2083 CG1 ILE B 393 -10.588 -7.955 -1.849 1.00 0.00 C ATOM 2084 CG2 ILE B 393 -12.889 -8.582 -2.652 1.00 0.00 C ATOM 2085 CD1 ILE B 393 -10.470 -7.028 -3.036 1.00 0.00 C ATOM 0 H ILE B 393 -9.800 -10.204 -0.691 1.00 0.00 H new ATOM 0 HA ILE B 393 -12.305 -9.075 -0.014 1.00 0.00 H new ATOM 0 HB ILE B 393 -11.161 -9.819 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE B 393 -10.885 -7.374 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE B 393 -9.607 -8.378 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE B 393 -12.681 -8.094 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE B 393 -13.571 -9.417 -2.814 1.00 0.00 H new ATOM 0 HG23 ILE B 393 -13.348 -7.866 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE B 393 -9.743 -6.246 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE B 393 -10.142 -7.594 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE B 393 -11.440 -6.574 -3.241 1.00 0.00 H new ATOM 2097 N ARG B 394 -12.325 -12.136 -1.178 1.00 0.00 N ATOM 2098 CA ARG B 394 -13.197 -13.292 -1.383 1.00 0.00 C ATOM 2099 C ARG B 394 -14.049 -13.550 -0.139 1.00 0.00 C ATOM 2100 O ARG B 394 -15.127 -14.137 -0.223 1.00 0.00 O ATOM 2101 CB ARG B 394 -12.386 -14.536 -1.751 1.00 0.00 C ATOM 2102 CG ARG B 394 -11.334 -14.919 -0.728 1.00 0.00 C ATOM 2103 CD ARG B 394 -10.632 -16.213 -1.109 1.00 0.00 C ATOM 2104 NE ARG B 394 -9.779 -16.049 -2.287 1.00 0.00 N ATOM 2105 CZ ARG B 394 -8.958 -16.992 -2.750 1.00 0.00 C ATOM 2106 NH1 ARG B 394 -8.855 -18.160 -2.128 1.00 0.00 N ATOM 2107 NH2 ARG B 394 -8.240 -16.767 -3.845 1.00 0.00 N ATOM 0 H ARG B 394 -11.327 -12.331 -1.259 1.00 0.00 H new ATOM 0 HA ARG B 394 -13.863 -13.068 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG B 394 -13.069 -15.375 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG B 394 -11.898 -14.367 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG B 394 -10.600 -14.118 -0.641 1.00 0.00 H new ATOM 0 HG3 ARG B 394 -11.800 -15.031 0.251 1.00 0.00 H new ATOM 0 HD2 ARG B 394 -10.028 -16.558 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG B 394 -11.376 -16.985 -1.305 1.00 0.00 H new ATOM 0 HE ARG B 394 -9.815 -15.159 -2.784 1.00 0.00 H new ATOM 0 HH11 ARG B 394 -9.406 -18.342 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG B 394 -8.225 -18.876 -2.489 1.00 0.00 H new ATOM 0 HH21 ARG B 394 -8.317 -15.873 -4.331 1.00 0.00 H new ATOM 0 HH22 ARG B 394 -7.612 -17.488 -4.200 1.00 0.00 H new ATOM 2121 N ALA B 395 -13.568 -13.082 1.009 1.00 0.00 N ATOM 2122 CA ALA B 395 -14.290 -13.236 2.262 1.00 0.00 C ATOM 2123 C ALA B 395 -15.339 -12.135 2.412 1.00 0.00 C ATOM 2124 O ALA B 395 -16.405 -12.351 2.996 1.00 0.00 O ATOM 2125 CB ALA B 395 -13.324 -13.212 3.434 1.00 0.00 C ATOM 0 H ALA B 395 -12.678 -12.592 1.094 1.00 0.00 H new ATOM 0 HA ALA B 395 -14.800 -14.199 2.253 1.00 0.00 H new ATOM 0 HB1 ALA B 395 -13.879 -13.328 4.365 1.00 0.00 H new ATOM 0 HB2 ALA B 395 -12.609 -14.029 3.333 1.00 0.00 H new ATOM 0 HB3 ALA B 395 -12.790 -12.262 3.446 1.00 0.00 H new ATOM 2131 N LYS B 396 -15.041 -10.957 1.866 1.00 0.00 N ATOM 2132 CA LYS B 396 -15.963 -9.828 1.933 1.00 0.00 C ATOM 2133 C LYS B 396 -17.141 -10.060 0.993 1.00 0.00 C ATOM 2134 O LYS B 396 -18.222 -9.504 1.190 1.00 0.00 O ATOM 2135 CB LYS B 396 -15.263 -8.502 1.583 1.00 0.00 C ATOM 2136 CG LYS B 396 -15.251 -8.177 0.091 1.00 0.00 C ATOM 2137 CD LYS B 396 -15.229 -6.678 -0.178 1.00 0.00 C ATOM 2138 CE LYS B 396 -16.611 -6.052 -0.037 1.00 0.00 C ATOM 2139 NZ LYS B 396 -16.946 -5.739 1.380 1.00 0.00 N ATOM 0 H LYS B 396 -14.170 -10.761 1.373 1.00 0.00 H new ATOM 0 HA LYS B 396 -16.325 -9.753 2.958 1.00 0.00 H new ATOM 0 HB2 LYS B 396 -15.758 -7.691 2.116 1.00 0.00 H new ATOM 0 HB3 LYS B 396 -14.235 -8.540 1.944 1.00 0.00 H new ATOM 0 HG2 LYS B 396 -14.379 -8.639 -0.371 1.00 0.00 H new ATOM 0 HG3 LYS B 396 -16.131 -8.615 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS B 396 -14.540 -6.195 0.515 1.00 0.00 H new ATOM 0 HD3 LYS B 396 -14.849 -6.496 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS B 396 -16.656 -5.138 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS B 396 -17.359 -6.732 -0.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 396 -17.511 -4.867 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 396 -17.492 -6.524 1.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 396 -16.069 -5.607 1.923 1.00 0.00 H new