USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=12 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 -98:sc= 0.469 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.333 X(o=-0.33,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.05! X(o=-2!,f=-1.7) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.129 F(o=-1.2,f=-0.13) USER MOD Single : A 41 SER OG : rot -160:sc= 0.235 USER MOD Single : A 42 SER OG : rot -65:sc= 0.0412 USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= -0.0199 (180deg=-2.55!) 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+ -159:sc= -0.0721 (180deg=-0.366) 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 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -51:sc= 0.294 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0.43) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N GLU A 8 -5.718 18.918 -11.424 1.00 0.00 N ATOM 132 CA GLU A 8 -4.601 18.115 -11.929 1.00 0.00 C ATOM 133 C GLU A 8 -4.283 18.466 -13.385 1.00 0.00 C ATOM 134 O GLU A 8 -4.986 19.263 -14.010 1.00 0.00 O ATOM 135 CB GLU A 8 -4.909 16.609 -11.807 1.00 0.00 C ATOM 136 CG GLU A 8 -6.019 16.266 -10.814 1.00 0.00 C ATOM 137 CD GLU A 8 -7.354 16.006 -11.492 1.00 0.00 C ATOM 138 OE1 GLU A 8 -8.060 15.065 -11.073 1.00 0.00 O ATOM 139 OE2 GLU A 8 -7.695 16.745 -12.440 1.00 0.00 O ATOM 0 HA GLU A 8 -3.728 18.346 -11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.187 16.228 -12.789 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.999 16.088 -11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.729 15.385 -10.242 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.131 17.085 -10.103 1.00 0.00 H new ATOM 146 N THR A 9 -3.216 17.863 -13.916 1.00 0.00 N ATOM 147 CA THR A 9 -2.791 18.102 -15.294 1.00 0.00 C ATOM 148 C THR A 9 -2.128 16.853 -15.887 1.00 0.00 C ATOM 149 O THR A 9 -2.531 16.374 -16.947 1.00 0.00 O ATOM 150 CB THR A 9 -1.842 19.310 -15.369 1.00 0.00 C ATOM 151 OG1 THR A 9 -1.094 19.294 -16.575 1.00 0.00 O ATOM 152 CG2 THR A 9 -0.854 19.390 -14.220 1.00 0.00 C ATOM 0 H THR A 9 -2.629 17.202 -13.407 1.00 0.00 H new ATOM 0 HA THR A 9 -3.678 18.327 -15.887 1.00 0.00 H new ATOM 0 HB THR A 9 -2.498 20.179 -15.318 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.210 18.905 -16.407 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.221 20.268 -14.345 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.397 19.465 -13.278 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.234 18.494 -14.210 1.00 0.00 H new ATOM 160 N ASP A 10 -1.119 16.326 -15.186 1.00 0.00 N ATOM 161 CA ASP A 10 -0.406 15.126 -15.627 1.00 0.00 C ATOM 162 C ASP A 10 -0.377 14.096 -14.503 1.00 0.00 C ATOM 163 O ASP A 10 0.183 14.352 -13.436 1.00 0.00 O ATOM 164 CB ASP A 10 1.029 15.463 -16.058 1.00 0.00 C ATOM 165 CG ASP A 10 1.114 16.740 -16.875 1.00 0.00 C ATOM 166 OD1 ASP A 10 1.461 17.792 -16.299 1.00 0.00 O ATOM 167 OD2 ASP A 10 0.835 16.686 -18.092 1.00 0.00 O ATOM 0 H ASP A 10 -0.778 16.715 -14.307 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.935 14.714 -16.486 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.656 15.562 -15.172 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.432 14.636 -16.643 1.00 0.00 H new ATOM 172 N CYS A 11 -0.993 12.936 -14.738 1.00 0.00 N ATOM 173 CA CYS A 11 -1.040 11.883 -13.726 1.00 0.00 C ATOM 174 C CYS A 11 -0.264 10.639 -14.160 1.00 0.00 C ATOM 175 O CYS A 11 0.523 10.097 -13.382 1.00 0.00 O ATOM 176 CB CYS A 11 -2.491 11.506 -13.415 1.00 0.00 C ATOM 177 SG CYS A 11 -2.682 10.258 -12.097 1.00 0.00 S ATOM 0 H CYS A 11 -1.462 12.704 -15.613 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.566 12.277 -12.827 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.033 12.406 -13.127 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.959 11.130 -14.325 1.00 0.00 H new ATOM 182 N SER A 12 -0.496 10.173 -15.391 1.00 0.00 N ATOM 183 CA SER A 12 0.182 8.975 -15.896 1.00 0.00 C ATOM 184 C SER A 12 1.698 9.065 -15.741 1.00 0.00 C ATOM 185 O SER A 12 2.359 8.052 -15.525 1.00 0.00 O ATOM 186 CB SER A 12 -0.169 8.718 -17.358 1.00 0.00 C ATOM 187 OG SER A 12 -1.537 8.377 -17.507 1.00 0.00 O ATOM 0 H SER A 12 -1.143 10.603 -16.052 1.00 0.00 H new ATOM 0 HA SER A 12 -0.173 8.140 -15.291 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.053 9.606 -17.949 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.453 7.912 -17.747 1.00 0.00 H new ATOM 0 HG SER A 12 -1.734 8.220 -18.454 1.00 0.00 H new ATOM 193 N GLU A 13 2.246 10.278 -15.840 1.00 0.00 N ATOM 194 CA GLU A 13 3.687 10.474 -15.692 1.00 0.00 C ATOM 195 C GLU A 13 4.123 10.129 -14.275 1.00 0.00 C ATOM 196 O GLU A 13 5.190 9.550 -14.070 1.00 0.00 O ATOM 197 CB GLU A 13 4.086 11.907 -16.039 1.00 0.00 C ATOM 198 CG GLU A 13 3.704 12.326 -17.451 1.00 0.00 C ATOM 199 CD GLU A 13 4.369 13.621 -17.879 1.00 0.00 C ATOM 200 OE1 GLU A 13 5.468 13.558 -18.469 1.00 0.00 O ATOM 201 OE2 GLU A 13 3.790 14.698 -17.625 1.00 0.00 O ATOM 0 H GLU A 13 1.718 11.132 -16.020 1.00 0.00 H new ATOM 0 HA GLU A 13 4.194 9.806 -16.389 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.616 12.587 -15.329 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.164 12.014 -15.917 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.979 11.534 -18.147 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.622 12.441 -17.511 1.00 0.00 H new ATOM 208 N ILE A 14 3.267 10.447 -13.301 1.00 0.00 N ATOM 209 CA ILE A 14 3.544 10.121 -11.905 1.00 0.00 C ATOM 210 C ILE A 14 3.517 8.623 -11.754 1.00 0.00 C ATOM 211 O ILE A 14 4.396 8.059 -11.106 1.00 0.00 O ATOM 212 CB ILE A 14 2.537 10.775 -10.930 1.00 0.00 C ATOM 213 CG1 ILE A 14 2.792 12.286 -10.827 1.00 0.00 C ATOM 214 CG2 ILE A 14 2.598 10.115 -9.552 1.00 0.00 C ATOM 215 CD1 ILE A 14 4.037 12.658 -10.041 1.00 0.00 C ATOM 0 H ILE A 14 2.381 10.928 -13.455 1.00 0.00 H new ATOM 0 HA ILE A 14 4.525 10.519 -11.647 1.00 0.00 H new ATOM 0 HB ILE A 14 1.533 10.623 -11.326 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.875 12.698 -11.833 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.927 12.757 -10.360 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.880 10.594 -8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.356 9.056 -9.645 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.602 10.223 -9.141 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.142 13.743 -10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.951 12.280 -9.022 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.913 12.219 -10.518 1.00 0.00 H new ATOM 227 N LEU A 15 2.567 7.946 -12.405 1.00 0.00 N ATOM 228 CA LEU A 15 2.562 6.501 -12.359 1.00 0.00 C ATOM 229 C LEU A 15 3.866 6.077 -13.001 1.00 0.00 C ATOM 230 O LEU A 15 4.683 5.395 -12.381 1.00 0.00 O ATOM 231 CB LEU A 15 1.352 5.913 -13.106 1.00 0.00 C ATOM 232 CG LEU A 15 0.037 6.697 -12.957 1.00 0.00 C ATOM 233 CD1 LEU A 15 -0.987 6.211 -13.973 1.00 0.00 C ATOM 234 CD2 LEU A 15 -0.509 6.588 -11.534 1.00 0.00 C ATOM 0 H LEU A 15 1.817 8.369 -12.952 1.00 0.00 H new ATOM 0 HA LEU A 15 2.477 6.134 -11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.598 5.848 -14.166 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.189 4.894 -12.754 1.00 0.00 H new ATOM 0 HG LEU A 15 0.242 7.750 -13.152 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.912 6.775 -13.855 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.598 6.358 -14.981 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.185 5.151 -13.812 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.439 7.151 -11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.698 5.541 -11.296 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.220 6.993 -10.832 1.00 0.00 H new ATOM 246 N ASP A 16 4.062 6.511 -14.261 1.00 0.00 N ATOM 247 CA ASP A 16 5.277 6.211 -15.010 1.00 0.00 C ATOM 248 C ASP A 16 6.520 6.349 -14.132 1.00 0.00 C ATOM 249 O ASP A 16 7.520 5.670 -14.373 1.00 0.00 O ATOM 250 CB ASP A 16 5.390 7.142 -16.222 1.00 0.00 C ATOM 251 CG ASP A 16 6.362 6.626 -17.267 1.00 0.00 C ATOM 252 OD1 ASP A 16 7.554 6.999 -17.204 1.00 0.00 O ATOM 253 OD2 ASP A 16 5.933 5.852 -18.148 1.00 0.00 O ATOM 0 H ASP A 16 3.384 7.073 -14.776 1.00 0.00 H new ATOM 0 HA ASP A 16 5.215 5.177 -15.350 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.406 7.263 -16.675 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.711 8.129 -15.889 1.00 0.00 H new ATOM 258 N HIS A 17 6.450 7.176 -13.074 1.00 0.00 N ATOM 259 CA HIS A 17 7.558 7.317 -12.148 1.00 0.00 C ATOM 260 C HIS A 17 7.588 6.076 -11.271 1.00 0.00 C ATOM 261 O HIS A 17 8.527 5.290 -11.303 1.00 0.00 O ATOM 262 CB HIS A 17 7.338 8.524 -11.214 1.00 0.00 C ATOM 263 CG HIS A 17 7.679 9.868 -11.761 1.00 0.00 C ATOM 264 ND1 HIS A 17 7.837 10.956 -10.933 1.00 0.00 N ATOM 265 CD2 HIS A 17 7.858 10.325 -13.023 1.00 0.00 C ATOM 266 CE1 HIS A 17 8.093 12.024 -11.649 1.00 0.00 C ATOM 267 NE2 HIS A 17 8.115 11.675 -12.926 1.00 0.00 N ATOM 0 H HIS A 17 5.636 7.749 -12.850 1.00 0.00 H new ATOM 0 HA HIS A 17 8.480 7.453 -12.714 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.290 8.535 -10.914 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.926 8.366 -10.310 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.809 9.743 -13.931 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.258 13.019 -11.263 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.293 12.303 -13.710 1.00 0.00 H new ATOM 276 N LEU A 18 6.519 5.925 -10.487 1.00 0.00 N ATOM 277 CA LEU A 18 6.364 4.799 -9.563 1.00 0.00 C ATOM 278 C LEU A 18 6.803 3.464 -10.167 1.00 0.00 C ATOM 279 O LEU A 18 7.168 2.552 -9.433 1.00 0.00 O ATOM 280 CB LEU A 18 4.910 4.693 -9.083 1.00 0.00 C ATOM 281 CG LEU A 18 4.530 5.629 -7.929 1.00 0.00 C ATOM 282 CD1 LEU A 18 4.432 7.069 -8.414 1.00 0.00 C ATOM 283 CD2 LEU A 18 3.220 5.189 -7.292 1.00 0.00 C ATOM 0 H LEU A 18 5.737 6.579 -10.474 1.00 0.00 H new ATOM 0 HA LEU A 18 7.021 5.004 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.251 4.897 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.721 3.665 -8.772 1.00 0.00 H new ATOM 0 HG LEU A 18 5.314 5.575 -7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.161 7.716 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.394 7.383 -8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.670 7.140 -9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.967 5.865 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.427 5.210 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.326 4.176 -6.904 1.00 0.00 H new ATOM 295 N TYR A 19 6.762 3.340 -11.493 1.00 0.00 N ATOM 296 CA TYR A 19 7.165 2.099 -12.142 1.00 0.00 C ATOM 297 C TYR A 19 8.678 2.077 -12.415 1.00 0.00 C ATOM 298 O TYR A 19 9.407 1.293 -11.808 1.00 0.00 O ATOM 299 CB TYR A 19 6.365 1.880 -13.434 1.00 0.00 C ATOM 300 CG TYR A 19 6.242 0.423 -13.825 1.00 0.00 C ATOM 301 CD1 TYR A 19 5.063 -0.296 -13.609 1.00 0.00 C ATOM 302 CD2 TYR A 19 7.316 -0.237 -14.407 1.00 0.00 C ATOM 303 CE1 TYR A 19 4.974 -1.629 -13.967 1.00 0.00 C ATOM 304 CE2 TYR A 19 7.232 -1.565 -14.767 1.00 0.00 C ATOM 305 CZ TYR A 19 6.060 -2.259 -14.546 1.00 0.00 C ATOM 306 OH TYR A 19 5.973 -3.585 -14.902 1.00 0.00 O ATOM 0 H TYR A 19 6.457 4.076 -12.130 1.00 0.00 H new ATOM 0 HA TYR A 19 6.944 1.276 -11.462 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.367 2.301 -13.310 1.00 0.00 H new ATOM 0 HB3 TYR A 19 6.844 2.427 -14.246 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.213 0.194 -13.158 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.236 0.301 -14.581 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.059 -2.176 -13.795 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.079 -2.060 -15.220 1.00 0.00 H new ATOM 0 HH TYR A 19 6.822 -3.874 -15.296 1.00 0.00 H new ATOM 316 N GLU A 20 9.142 2.926 -13.340 1.00 0.00 N ATOM 317 CA GLU A 20 10.570 2.982 -13.696 1.00 0.00 C ATOM 318 C GLU A 20 11.412 3.566 -12.557 1.00 0.00 C ATOM 319 O GLU A 20 12.562 3.182 -12.359 1.00 0.00 O ATOM 320 CB GLU A 20 10.783 3.813 -14.969 1.00 0.00 C ATOM 321 CG GLU A 20 9.837 3.461 -16.110 1.00 0.00 C ATOM 322 CD GLU A 20 10.157 2.122 -16.749 1.00 0.00 C ATOM 323 OE1 GLU A 20 11.215 2.014 -17.404 1.00 0.00 O ATOM 324 OE2 GLU A 20 9.349 1.182 -16.594 1.00 0.00 O ATOM 0 H GLU A 20 8.555 3.582 -13.855 1.00 0.00 H new ATOM 0 HA GLU A 20 10.896 1.958 -13.877 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.663 4.868 -14.725 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.810 3.679 -15.309 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.814 3.444 -15.735 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.885 4.241 -16.869 1.00 0.00 H new ATOM 331 N PHE A 21 10.818 4.487 -11.811 1.00 0.00 N ATOM 332 CA PHE A 21 11.476 5.135 -10.675 1.00 0.00 C ATOM 333 C PHE A 21 11.743 4.110 -9.580 1.00 0.00 C ATOM 334 O PHE A 21 12.838 4.008 -9.033 1.00 0.00 O ATOM 335 CB PHE A 21 10.547 6.233 -10.119 1.00 0.00 C ATOM 336 CG PHE A 21 11.230 7.315 -9.344 1.00 0.00 C ATOM 337 CD1 PHE A 21 11.234 8.613 -9.816 1.00 0.00 C ATOM 338 CD2 PHE A 21 11.856 7.034 -8.144 1.00 0.00 C ATOM 339 CE1 PHE A 21 11.857 9.620 -9.106 1.00 0.00 C ATOM 340 CE2 PHE A 21 12.481 8.037 -7.426 1.00 0.00 C ATOM 341 CZ PHE A 21 12.484 9.332 -7.909 1.00 0.00 C ATOM 0 H PHE A 21 9.864 4.810 -11.973 1.00 0.00 H new ATOM 0 HA PHE A 21 12.421 5.570 -11.002 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.011 6.688 -10.952 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.801 5.764 -9.477 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.744 8.843 -10.751 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.857 6.023 -7.764 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.854 10.631 -9.486 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.966 7.809 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.975 10.116 -7.352 1.00 0.00 H new ATOM 351 N LEU A 22 10.688 3.383 -9.275 1.00 0.00 N ATOM 352 CA LEU A 22 10.709 2.369 -8.237 1.00 0.00 C ATOM 353 C LEU A 22 11.517 1.134 -8.643 1.00 0.00 C ATOM 354 O LEU A 22 12.337 0.650 -7.862 1.00 0.00 O ATOM 355 CB LEU A 22 9.273 1.992 -7.890 1.00 0.00 C ATOM 356 CG LEU A 22 9.082 0.977 -6.758 1.00 0.00 C ATOM 357 CD1 LEU A 22 9.947 1.323 -5.550 1.00 0.00 C ATOM 358 CD2 LEU A 22 7.610 0.907 -6.370 1.00 0.00 C ATOM 0 H LEU A 22 9.786 3.478 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 22 11.208 2.783 -7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.737 2.903 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.799 1.594 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 22 9.401 -0.002 -7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.788 0.584 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.997 1.322 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.675 2.311 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.480 0.184 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.275 1.888 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.020 0.599 -7.233 1.00 0.00 H new ATOM 370 N ASP A 23 11.247 0.589 -9.829 1.00 0.00 N ATOM 371 CA ASP A 23 11.917 -0.637 -10.281 1.00 0.00 C ATOM 372 C ASP A 23 13.263 -0.410 -10.982 1.00 0.00 C ATOM 373 O ASP A 23 14.172 -1.231 -10.846 1.00 0.00 O ATOM 374 CB ASP A 23 10.991 -1.397 -11.239 1.00 0.00 C ATOM 375 CG ASP A 23 10.864 -2.868 -10.889 1.00 0.00 C ATOM 376 OD1 ASP A 23 11.844 -3.615 -11.100 1.00 0.00 O ATOM 377 OD2 ASP A 23 9.787 -3.273 -10.404 1.00 0.00 O ATOM 0 H ASP A 23 10.574 0.972 -10.493 1.00 0.00 H new ATOM 0 HA ASP A 23 12.131 -1.207 -9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.003 -0.938 -11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.370 -1.301 -12.256 1.00 0.00 H new ATOM 382 N LYS A 24 13.372 0.646 -11.787 1.00 0.00 N ATOM 383 CA LYS A 24 14.591 0.886 -12.559 1.00 0.00 C ATOM 384 C LYS A 24 15.563 1.893 -11.924 1.00 0.00 C ATOM 385 O LYS A 24 16.776 1.754 -12.096 1.00 0.00 O ATOM 386 CB LYS A 24 14.213 1.331 -13.979 1.00 0.00 C ATOM 387 CG LYS A 24 14.048 0.177 -14.964 1.00 0.00 C ATOM 388 CD LYS A 24 12.663 -0.461 -14.866 1.00 0.00 C ATOM 389 CE LYS A 24 12.622 -1.826 -15.541 1.00 0.00 C ATOM 390 NZ LYS A 24 12.620 -1.717 -17.027 1.00 0.00 N ATOM 0 H LYS A 24 12.639 1.343 -11.921 1.00 0.00 H new ATOM 0 HA LYS A 24 15.132 -0.060 -12.578 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.282 1.896 -13.937 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.980 2.009 -14.353 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.210 0.540 -15.979 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.810 -0.578 -14.770 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.384 -0.565 -13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.926 0.196 -15.328 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.483 -2.413 -15.222 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.731 -2.364 -15.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.592 -2.669 -17.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.785 -1.179 -17.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.482 -1.227 -17.340 1.00 0.00 H new ATOM 404 N GLU A 25 15.059 2.912 -11.224 1.00 0.00 N ATOM 405 CA GLU A 25 15.945 3.917 -10.623 1.00 0.00 C ATOM 406 C GLU A 25 16.751 3.357 -9.440 1.00 0.00 C ATOM 407 O GLU A 25 17.952 3.115 -9.567 1.00 0.00 O ATOM 408 CB GLU A 25 15.156 5.165 -10.199 1.00 0.00 C ATOM 409 CG GLU A 25 15.962 6.455 -10.285 1.00 0.00 C ATOM 410 CD GLU A 25 15.176 7.669 -9.825 1.00 0.00 C ATOM 411 OE1 GLU A 25 15.391 8.116 -8.679 1.00 0.00 O ATOM 412 OE2 GLU A 25 14.348 8.173 -10.613 1.00 0.00 O ATOM 0 H GLU A 25 14.064 3.064 -11.060 1.00 0.00 H new ATOM 0 HA GLU A 25 16.662 4.203 -11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.271 5.257 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.806 5.033 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.861 6.358 -9.677 1.00 0.00 H new ATOM 0 HG3 GLU A 25 16.288 6.607 -11.314 1.00 0.00 H new ATOM 419 N MET A 26 16.092 3.160 -8.292 1.00 0.00 N ATOM 420 CA MET A 26 16.755 2.639 -7.088 1.00 0.00 C ATOM 421 C MET A 26 15.729 2.433 -5.968 1.00 0.00 C ATOM 422 O MET A 26 15.499 3.327 -5.154 1.00 0.00 O ATOM 423 CB MET A 26 17.867 3.597 -6.623 1.00 0.00 C ATOM 424 CG MET A 26 19.261 2.985 -6.666 1.00 0.00 C ATOM 425 SD MET A 26 20.561 4.172 -6.270 1.00 0.00 S ATOM 426 CE MET A 26 22.012 3.125 -6.345 1.00 0.00 C ATOM 0 H MET A 26 15.098 3.354 -8.170 1.00 0.00 H new ATOM 0 HA MET A 26 17.209 1.678 -7.332 1.00 0.00 H new ATOM 0 HB2 MET A 26 17.852 4.488 -7.250 1.00 0.00 H new ATOM 0 HB3 MET A 26 17.653 3.920 -5.604 1.00 0.00 H new ATOM 0 HG2 MET A 26 19.309 2.153 -5.963 1.00 0.00 H new ATOM 0 HG3 MET A 26 19.441 2.574 -7.659 1.00 0.00 H new ATOM 0 HE1 MET A 26 22.900 3.717 -6.122 1.00 0.00 H new ATOM 0 HE2 MET A 26 21.919 2.321 -5.614 1.00 0.00 H new ATOM 0 HE3 MET A 26 22.102 2.698 -7.344 1.00 0.00 H new ATOM 436 N PRO A 27 15.082 1.249 -5.933 1.00 0.00 N ATOM 437 CA PRO A 27 14.054 0.908 -4.945 1.00 0.00 C ATOM 438 C PRO A 27 14.245 1.547 -3.557 1.00 0.00 C ATOM 439 O PRO A 27 13.452 2.403 -3.160 1.00 0.00 O ATOM 440 CB PRO A 27 14.165 -0.614 -4.886 1.00 0.00 C ATOM 441 CG PRO A 27 14.506 -1.011 -6.285 1.00 0.00 C ATOM 442 CD PRO A 27 15.286 0.138 -6.886 1.00 0.00 C ATOM 0 HA PRO A 27 13.075 1.289 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.936 -0.930 -4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 27 13.230 -1.069 -4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.097 -1.927 -6.294 1.00 0.00 H new ATOM 0 HG3 PRO A 27 13.603 -1.209 -6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.343 -0.109 -6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 27 14.918 0.393 -7.880 1.00 0.00 H new ATOM 450 N ASP A 28 15.272 1.125 -2.814 1.00 0.00 N ATOM 451 CA ASP A 28 15.515 1.658 -1.465 1.00 0.00 C ATOM 452 C ASP A 28 15.931 3.129 -1.488 1.00 0.00 C ATOM 453 O ASP A 28 15.564 3.890 -0.591 1.00 0.00 O ATOM 454 CB ASP A 28 16.571 0.819 -0.731 1.00 0.00 C ATOM 455 CG ASP A 28 17.903 0.773 -1.460 1.00 0.00 C ATOM 456 OD1 ASP A 28 18.778 1.609 -1.152 1.00 0.00 O ATOM 457 OD2 ASP A 28 18.070 -0.100 -2.337 1.00 0.00 O ATOM 0 H ASP A 28 15.945 0.422 -3.118 1.00 0.00 H new ATOM 0 HA ASP A 28 14.570 1.595 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.723 1.229 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.197 -0.197 -0.605 1.00 0.00 H new ATOM 462 N SER A 29 16.683 3.530 -2.510 1.00 0.00 N ATOM 463 CA SER A 29 17.124 4.917 -2.629 1.00 0.00 C ATOM 464 C SER A 29 16.100 5.744 -3.414 1.00 0.00 C ATOM 465 O SER A 29 16.462 6.508 -4.311 1.00 0.00 O ATOM 466 CB SER A 29 18.504 4.983 -3.296 1.00 0.00 C ATOM 467 OG SER A 29 19.455 5.594 -2.440 1.00 0.00 O ATOM 0 H SER A 29 16.998 2.919 -3.263 1.00 0.00 H new ATOM 0 HA SER A 29 17.206 5.342 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.835 3.977 -3.554 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.435 5.544 -4.228 1.00 0.00 H new ATOM 0 HG SER A 29 20.327 5.623 -2.887 1.00 0.00 H new ATOM 473 N ASP A 30 14.814 5.581 -3.072 1.00 0.00 N ATOM 474 CA ASP A 30 13.744 6.306 -3.748 1.00 0.00 C ATOM 475 C ASP A 30 12.674 6.797 -2.770 1.00 0.00 C ATOM 476 O ASP A 30 11.916 7.700 -3.107 1.00 0.00 O ATOM 477 CB ASP A 30 13.094 5.426 -4.822 1.00 0.00 C ATOM 478 CG ASP A 30 13.925 5.332 -6.090 1.00 0.00 C ATOM 479 OD1 ASP A 30 14.751 6.237 -6.335 1.00 0.00 O ATOM 480 OD2 ASP A 30 13.746 4.351 -6.838 1.00 0.00 O ATOM 0 H ASP A 30 14.496 4.954 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 30 14.198 7.180 -4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.939 4.425 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.110 5.827 -5.067 1.00 0.00 H new ATOM 485 N ALA A 31 12.599 6.215 -1.562 1.00 0.00 N ATOM 486 CA ALA A 31 11.598 6.638 -0.584 1.00 0.00 C ATOM 487 C ALA A 31 11.686 8.135 -0.285 1.00 0.00 C ATOM 488 O ALA A 31 10.665 8.821 -0.216 1.00 0.00 O ATOM 489 CB ALA A 31 11.745 5.837 0.693 1.00 0.00 C ATOM 0 H ALA A 31 13.212 5.462 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 31 10.615 6.450 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.994 6.161 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.607 4.778 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.740 5.995 1.109 1.00 0.00 H new ATOM 495 N VAL A 32 12.908 8.635 -0.109 1.00 0.00 N ATOM 496 CA VAL A 32 13.129 10.048 0.183 1.00 0.00 C ATOM 497 C VAL A 32 13.120 10.884 -1.093 1.00 0.00 C ATOM 498 O VAL A 32 12.794 12.072 -1.067 1.00 0.00 O ATOM 499 CB VAL A 32 14.465 10.264 0.936 1.00 0.00 C ATOM 500 CG1 VAL A 32 15.653 9.820 0.087 1.00 0.00 C ATOM 501 CG2 VAL A 32 14.624 11.718 1.370 1.00 0.00 C ATOM 0 H VAL A 32 13.762 8.080 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 32 12.309 10.374 0.823 1.00 0.00 H new ATOM 0 HB VAL A 32 14.441 9.645 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.577 9.983 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.555 8.761 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.677 10.398 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.571 11.839 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 32 14.612 12.363 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.803 11.992 2.033 1.00 0.00 H new ATOM 511 N LYS A 33 13.461 10.246 -2.208 1.00 0.00 N ATOM 512 CA LYS A 33 13.479 10.910 -3.507 1.00 0.00 C ATOM 513 C LYS A 33 12.071 10.956 -4.096 1.00 0.00 C ATOM 514 O LYS A 33 11.759 11.826 -4.907 1.00 0.00 O ATOM 515 CB LYS A 33 14.441 10.182 -4.449 1.00 0.00 C ATOM 516 CG LYS A 33 15.723 9.721 -3.761 1.00 0.00 C ATOM 517 CD LYS A 33 16.964 10.156 -4.526 1.00 0.00 C ATOM 518 CE LYS A 33 18.117 9.179 -4.342 1.00 0.00 C ATOM 519 NZ LYS A 33 19.422 9.773 -4.748 1.00 0.00 N ATOM 0 H LYS A 33 13.730 9.263 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 33 13.827 11.935 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.935 9.317 -4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.698 10.843 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.759 10.127 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.715 8.635 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.726 10.240 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.270 11.146 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.168 8.871 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.929 8.281 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.180 9.075 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.383 10.044 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.615 10.615 -4.169 1.00 0.00 H new ATOM 533 N PHE A 34 11.221 10.023 -3.655 1.00 0.00 N ATOM 534 CA PHE A 34 9.835 9.957 -4.107 1.00 0.00 C ATOM 535 C PHE A 34 9.105 11.244 -3.708 1.00 0.00 C ATOM 536 O PHE A 34 8.755 12.053 -4.567 1.00 0.00 O ATOM 537 CB PHE A 34 9.140 8.721 -3.495 1.00 0.00 C ATOM 538 CG PHE A 34 9.318 7.445 -4.279 1.00 0.00 C ATOM 539 CD1 PHE A 34 9.306 7.454 -5.665 1.00 0.00 C ATOM 540 CD2 PHE A 34 9.457 6.230 -3.625 1.00 0.00 C ATOM 541 CE1 PHE A 34 9.427 6.282 -6.379 1.00 0.00 C ATOM 542 CE2 PHE A 34 9.584 5.056 -4.335 1.00 0.00 C ATOM 543 CZ PHE A 34 9.565 5.081 -5.715 1.00 0.00 C ATOM 0 H PHE A 34 11.475 9.301 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 34 9.809 9.862 -5.193 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.523 8.568 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.074 8.929 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.201 8.391 -6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.466 6.204 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.414 6.304 -7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.698 4.118 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.658 4.162 -6.274 1.00 0.00 H new ATOM 553 N GLU A 35 8.870 11.406 -2.397 1.00 0.00 N ATOM 554 CA GLU A 35 8.170 12.575 -1.834 1.00 0.00 C ATOM 555 C GLU A 35 8.246 13.828 -2.726 1.00 0.00 C ATOM 556 O GLU A 35 7.228 14.474 -2.974 1.00 0.00 O ATOM 557 CB GLU A 35 8.736 12.899 -0.445 1.00 0.00 C ATOM 558 CG GLU A 35 7.746 13.606 0.471 1.00 0.00 C ATOM 559 CD GLU A 35 8.339 13.944 1.826 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.210 13.117 2.753 1.00 0.00 O ATOM 561 OE2 GLU A 35 8.931 15.036 1.959 1.00 0.00 O ATOM 0 H GLU A 35 9.161 10.728 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 35 7.117 12.302 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.060 11.973 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.621 13.525 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.403 14.522 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.870 12.972 0.610 1.00 0.00 H new ATOM 568 N HIS A 36 9.453 14.175 -3.188 1.00 0.00 N ATOM 569 CA HIS A 36 9.654 15.364 -4.036 1.00 0.00 C ATOM 570 C HIS A 36 8.692 15.394 -5.228 1.00 0.00 C ATOM 571 O HIS A 36 7.898 16.325 -5.373 1.00 0.00 O ATOM 572 CB HIS A 36 11.096 15.426 -4.563 1.00 0.00 C ATOM 573 CG HIS A 36 12.147 15.163 -3.537 1.00 0.00 C ATOM 574 ND1 HIS A 36 12.273 15.881 -2.367 1.00 0.00 N ATOM 575 CD2 HIS A 36 13.135 14.247 -3.526 1.00 0.00 C ATOM 576 CE1 HIS A 36 13.300 15.416 -1.678 1.00 0.00 C ATOM 577 NE2 HIS A 36 13.841 14.423 -2.361 1.00 0.00 N ATOM 0 H HIS A 36 10.307 13.652 -2.991 1.00 0.00 H new ATOM 0 HA HIS A 36 9.452 16.229 -3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.205 14.701 -5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.268 16.412 -4.995 1.00 0.00 H new ATOM 0 HD2 HIS A 36 13.335 13.511 -4.291 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.639 15.784 -0.721 1.00 0.00 H new ATOM 0 HE2 HIS A 36 14.651 13.876 -2.070 1.00 0.00 H new ATOM 586 N HIS A 37 8.783 14.375 -6.080 1.00 0.00 N ATOM 587 CA HIS A 37 7.940 14.272 -7.278 1.00 0.00 C ATOM 588 C HIS A 37 6.515 13.870 -6.915 1.00 0.00 C ATOM 589 O HIS A 37 5.558 14.249 -7.589 1.00 0.00 O ATOM 590 CB HIS A 37 8.520 13.245 -8.251 1.00 0.00 C ATOM 591 CG HIS A 37 9.996 13.217 -8.252 1.00 0.00 C ATOM 592 ND1 HIS A 37 10.858 12.460 -7.542 1.00 0.00 N flip ATOM 593 CD2 HIS A 37 10.753 14.062 -9.013 1.00 0.00 C flip ATOM 594 CE1 HIS A 37 12.119 12.863 -7.888 1.00 0.00 C flip ATOM 595 NE2 HIS A 37 12.020 13.834 -8.777 1.00 0.00 N flip ATOM 0 H HIS A 37 9.437 13.601 -5.965 1.00 0.00 H new ATOM 0 HA HIS A 37 7.919 15.253 -7.752 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.144 12.255 -7.992 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.166 13.467 -9.258 1.00 0.00 H new ATOM 0 HD1 HIS A 37 10.616 11.727 -6.875 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.367 14.801 -9.700 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.040 12.455 -7.499 1.00 0.00 H new ATOM 604 N PHE A 38 6.394 13.080 -5.853 1.00 0.00 N ATOM 605 CA PHE A 38 5.102 12.589 -5.387 1.00 0.00 C ATOM 606 C PHE A 38 4.225 13.718 -4.834 1.00 0.00 C ATOM 607 O PHE A 38 2.999 13.595 -4.802 1.00 0.00 O ATOM 608 CB PHE A 38 5.325 11.508 -4.323 1.00 0.00 C ATOM 609 CG PHE A 38 5.750 10.166 -4.878 1.00 0.00 C ATOM 610 CD1 PHE A 38 5.611 9.020 -4.100 1.00 0.00 C ATOM 611 CD2 PHE A 38 6.281 10.037 -6.170 1.00 0.00 C ATOM 612 CE1 PHE A 38 5.974 7.784 -4.590 1.00 0.00 C ATOM 613 CE2 PHE A 38 6.646 8.796 -6.656 1.00 0.00 C ATOM 614 CZ PHE A 38 6.487 7.670 -5.868 1.00 0.00 C ATOM 0 H PHE A 38 7.185 12.763 -5.293 1.00 0.00 H new ATOM 0 HA PHE A 38 4.571 12.163 -6.238 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.085 11.855 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.404 11.378 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.213 9.101 -3.099 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.405 10.913 -6.789 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.857 6.904 -3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.055 8.705 -7.651 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.764 6.700 -6.253 1.00 0.00 H new ATOM 624 N GLU A 39 4.852 14.817 -4.405 1.00 0.00 N ATOM 625 CA GLU A 39 4.119 15.963 -3.862 1.00 0.00 C ATOM 626 C GLU A 39 3.717 16.942 -4.968 1.00 0.00 C ATOM 627 O GLU A 39 2.731 17.668 -4.828 1.00 0.00 O ATOM 628 CB GLU A 39 4.968 16.682 -2.808 1.00 0.00 C ATOM 629 CG GLU A 39 4.171 17.619 -1.910 1.00 0.00 C ATOM 630 CD GLU A 39 5.022 18.272 -0.838 1.00 0.00 C ATOM 631 OE1 GLU A 39 5.144 17.689 0.260 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.569 19.364 -1.097 1.00 0.00 O ATOM 0 H GLU A 39 5.865 14.937 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 39 3.208 15.588 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.467 15.938 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.748 17.253 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.708 18.393 -2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.363 17.061 -1.436 1.00 0.00 H new ATOM 639 N GLU A 40 4.484 16.963 -6.064 1.00 0.00 N ATOM 640 CA GLU A 40 4.201 17.860 -7.187 1.00 0.00 C ATOM 641 C GLU A 40 2.818 17.588 -7.787 1.00 0.00 C ATOM 642 O GLU A 40 2.110 18.520 -8.174 1.00 0.00 O ATOM 643 CB GLU A 40 5.294 17.742 -8.266 1.00 0.00 C ATOM 644 CG GLU A 40 5.028 16.691 -9.331 1.00 0.00 C ATOM 645 CD GLU A 40 6.271 16.329 -10.124 1.00 0.00 C ATOM 646 OE1 GLU A 40 6.879 17.241 -10.726 1.00 0.00 O ATOM 647 OE2 GLU A 40 6.636 15.135 -10.145 1.00 0.00 O ATOM 0 H GLU A 40 5.303 16.370 -6.196 1.00 0.00 H new ATOM 0 HA GLU A 40 4.201 18.880 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.410 18.710 -8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.242 17.514 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.630 15.793 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.261 17.058 -10.013 1.00 0.00 H new ATOM 654 N SER A 41 2.441 16.308 -7.862 1.00 0.00 N ATOM 655 CA SER A 41 1.146 15.920 -8.415 1.00 0.00 C ATOM 656 C SER A 41 0.331 15.103 -7.415 1.00 0.00 C ATOM 657 O SER A 41 -0.060 13.968 -7.698 1.00 0.00 O ATOM 658 CB SER A 41 1.325 15.122 -9.709 1.00 0.00 C ATOM 659 OG SER A 41 0.891 15.869 -10.833 1.00 0.00 O ATOM 0 H SER A 41 3.015 15.526 -7.547 1.00 0.00 H new ATOM 0 HA SER A 41 0.601 16.838 -8.633 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.374 14.852 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.761 14.191 -9.647 1.00 0.00 H new ATOM 0 HG SER A 41 0.706 15.260 -11.578 1.00 0.00 H new ATOM 665 N SER A 42 0.052 15.688 -6.251 1.00 0.00 N ATOM 666 CA SER A 42 -0.745 15.006 -5.236 1.00 0.00 C ATOM 667 C SER A 42 -2.112 14.611 -5.814 1.00 0.00 C ATOM 668 O SER A 42 -2.580 13.494 -5.595 1.00 0.00 O ATOM 669 CB SER A 42 -0.926 15.896 -4.003 1.00 0.00 C ATOM 670 OG SER A 42 -1.129 15.118 -2.837 1.00 0.00 O ATOM 0 H SER A 42 0.363 16.624 -5.990 1.00 0.00 H new ATOM 0 HA SER A 42 -0.217 14.102 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.047 16.527 -3.874 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.777 16.561 -4.153 1.00 0.00 H new ATOM 0 HG SER A 42 -1.979 14.635 -2.910 1.00 0.00 H new ATOM 676 N PRO A 43 -2.773 15.530 -6.567 1.00 0.00 N ATOM 677 CA PRO A 43 -4.093 15.276 -7.180 1.00 0.00 C ATOM 678 C PRO A 43 -4.121 14.087 -8.142 1.00 0.00 C ATOM 679 O PRO A 43 -5.197 13.568 -8.430 1.00 0.00 O ATOM 680 CB PRO A 43 -4.396 16.576 -7.937 1.00 0.00 C ATOM 681 CG PRO A 43 -3.570 17.602 -7.254 1.00 0.00 C ATOM 682 CD PRO A 43 -2.303 16.897 -6.878 1.00 0.00 C ATOM 0 HA PRO A 43 -4.825 15.015 -6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.133 16.492 -8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.456 16.825 -7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.370 18.448 -7.911 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.078 17.995 -6.374 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.580 16.901 -7.694 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.819 17.364 -6.020 1.00 0.00 H new ATOM 690 N CYS A 44 -2.954 13.617 -8.600 1.00 0.00 N ATOM 691 CA CYS A 44 -2.907 12.451 -9.482 1.00 0.00 C ATOM 692 C CYS A 44 -3.158 11.202 -8.656 1.00 0.00 C ATOM 693 O CYS A 44 -3.844 10.274 -9.089 1.00 0.00 O ATOM 694 CB CYS A 44 -1.551 12.337 -10.186 1.00 0.00 C ATOM 695 SG CYS A 44 -1.166 10.663 -10.803 1.00 0.00 S ATOM 0 H CYS A 44 -2.044 14.021 -8.377 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.674 12.562 -10.249 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.529 13.034 -11.023 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.768 12.646 -9.494 1.00 0.00 H new ATOM 700 N LEU A 45 -2.608 11.208 -7.448 1.00 0.00 N ATOM 701 CA LEU A 45 -2.776 10.092 -6.526 1.00 0.00 C ATOM 702 C LEU A 45 -4.159 10.134 -5.850 1.00 0.00 C ATOM 703 O LEU A 45 -4.500 9.228 -5.089 1.00 0.00 O ATOM 704 CB LEU A 45 -1.654 10.022 -5.468 1.00 0.00 C ATOM 705 CG LEU A 45 -0.441 10.931 -5.666 1.00 0.00 C ATOM 706 CD1 LEU A 45 0.364 11.037 -4.381 1.00 0.00 C ATOM 707 CD2 LEU A 45 0.441 10.423 -6.802 1.00 0.00 C ATOM 0 H LEU A 45 -2.041 11.974 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.708 9.183 -7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.092 10.252 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.299 8.992 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.805 11.923 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.223 11.688 -4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.263 11.452 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.710 10.046 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.297 11.087 -6.923 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.792 9.418 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.134 10.401 -7.727 1.00 0.00 H new ATOM 719 N GLU A 46 -4.970 11.171 -6.147 1.00 0.00 N ATOM 720 CA GLU A 46 -6.321 11.286 -5.580 1.00 0.00 C ATOM 721 C GLU A 46 -7.377 10.975 -6.649 1.00 0.00 C ATOM 722 O GLU A 46 -8.576 11.179 -6.450 1.00 0.00 O ATOM 723 CB GLU A 46 -6.536 12.684 -5.009 1.00 0.00 C ATOM 724 CG GLU A 46 -5.376 13.156 -4.153 1.00 0.00 C ATOM 725 CD GLU A 46 -5.773 14.232 -3.159 1.00 0.00 C ATOM 726 OE1 GLU A 46 -5.339 15.390 -3.334 1.00 0.00 O ATOM 727 OE2 GLU A 46 -6.517 13.915 -2.207 1.00 0.00 O ATOM 0 H GLU A 46 -4.711 11.934 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.424 10.561 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.686 13.387 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.448 12.691 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.960 12.305 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.587 13.540 -4.800 1.00 0.00 H new ATOM 734 N LYS A 47 -6.893 10.409 -7.747 1.00 0.00 N ATOM 735 CA LYS A 47 -7.755 9.967 -8.849 1.00 0.00 C ATOM 736 C LYS A 47 -8.055 8.485 -8.686 1.00 0.00 C ATOM 737 O LYS A 47 -9.211 8.063 -8.686 1.00 0.00 O ATOM 738 CB LYS A 47 -7.128 10.203 -10.230 1.00 0.00 C ATOM 739 CG LYS A 47 -7.429 11.572 -10.815 1.00 0.00 C ATOM 740 CD LYS A 47 -6.221 12.481 -10.732 1.00 0.00 C ATOM 741 CE LYS A 47 -5.553 12.667 -12.089 1.00 0.00 C ATOM 742 NZ LYS A 47 -6.453 13.331 -13.079 1.00 0.00 N ATOM 0 H LYS A 47 -5.899 10.242 -7.904 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.668 10.561 -8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.048 10.081 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.488 9.437 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.737 11.466 -11.855 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.264 12.023 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.524 13.452 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.501 12.064 -10.028 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.648 13.263 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.245 11.696 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.666 12.670 -13.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.338 13.612 -12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.983 14.175 -13.464 1.00 0.00 H new ATOM 756 N TYR A 48 -6.985 7.707 -8.553 1.00 0.00 N ATOM 757 CA TYR A 48 -7.085 6.259 -8.392 1.00 0.00 C ATOM 758 C TYR A 48 -6.926 5.843 -6.926 1.00 0.00 C ATOM 759 O TYR A 48 -7.261 4.715 -6.561 1.00 0.00 O ATOM 760 CB TYR A 48 -6.029 5.572 -9.262 1.00 0.00 C ATOM 761 CG TYR A 48 -6.080 6.001 -10.716 1.00 0.00 C ATOM 762 CD1 TYR A 48 -5.347 7.095 -11.162 1.00 0.00 C ATOM 763 CD2 TYR A 48 -6.870 5.322 -11.637 1.00 0.00 C ATOM 764 CE1 TYR A 48 -5.398 7.499 -12.482 1.00 0.00 C ATOM 765 CE2 TYR A 48 -6.924 5.719 -12.960 1.00 0.00 C ATOM 766 CZ TYR A 48 -6.187 6.807 -13.377 1.00 0.00 C ATOM 767 OH TYR A 48 -6.240 7.206 -14.694 1.00 0.00 O ATOM 0 H TYR A 48 -6.028 8.060 -8.554 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.079 5.946 -8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.039 5.790 -8.860 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.166 4.492 -9.204 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.727 7.638 -10.464 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.451 4.471 -11.314 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.823 8.352 -12.811 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.541 5.179 -13.664 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.840 6.613 -15.192 1.00 0.00 H new ATOM 777 N GLY A 49 -6.411 6.753 -6.090 1.00 0.00 N ATOM 778 CA GLY A 49 -6.219 6.452 -4.687 1.00 0.00 C ATOM 779 C GLY A 49 -4.825 5.940 -4.395 1.00 0.00 C ATOM 780 O GLY A 49 -4.654 4.971 -3.655 1.00 0.00 O ATOM 0 H GLY A 49 -6.126 7.692 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.405 7.349 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.950 5.707 -4.374 1.00 0.00 H new ATOM 784 N LEU A 50 -3.823 6.598 -4.982 1.00 0.00 N ATOM 785 CA LEU A 50 -2.430 6.207 -4.788 1.00 0.00 C ATOM 786 C LEU A 50 -1.792 6.976 -3.631 1.00 0.00 C ATOM 787 O LEU A 50 -0.820 6.503 -3.045 1.00 0.00 O ATOM 788 CB LEU A 50 -1.618 6.429 -6.072 1.00 0.00 C ATOM 789 CG LEU A 50 -1.926 5.471 -7.235 1.00 0.00 C ATOM 790 CD1 LEU A 50 -0.922 5.681 -8.362 1.00 0.00 C ATOM 791 CD2 LEU A 50 -1.924 4.017 -6.773 1.00 0.00 C ATOM 0 H LEU A 50 -3.953 7.403 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.421 5.145 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.787 7.450 -6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.559 6.345 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.926 5.695 -7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.147 4.999 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.985 6.709 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.085 5.485 -7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.145 3.366 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.944 3.765 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.682 3.879 -6.002 1.00 0.00 H new ATOM 803 N GLU A 51 -2.337 8.157 -3.299 1.00 0.00 N ATOM 804 CA GLU A 51 -1.799 8.968 -2.198 1.00 0.00 C ATOM 805 C GLU A 51 -1.496 8.077 -0.992 1.00 0.00 C ATOM 806 O GLU A 51 -0.361 7.970 -0.535 1.00 0.00 O ATOM 807 CB GLU A 51 -2.816 10.044 -1.782 1.00 0.00 C ATOM 808 CG GLU A 51 -2.539 11.420 -2.360 1.00 0.00 C ATOM 809 CD GLU A 51 -3.095 12.539 -1.498 1.00 0.00 C ATOM 810 OE1 GLU A 51 -4.302 12.502 -1.181 1.00 0.00 O ATOM 811 OE2 GLU A 51 -2.322 13.452 -1.138 1.00 0.00 O ATOM 0 H GLU A 51 -3.142 8.568 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.882 9.448 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.811 9.726 -2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.828 10.115 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.463 11.553 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.973 11.485 -3.358 1.00 0.00 H new ATOM 818 N GLN A 52 -2.560 7.440 -0.513 1.00 0.00 N ATOM 819 CA GLN A 52 -2.508 6.530 0.635 1.00 0.00 C ATOM 820 C GLN A 52 -1.385 5.511 0.486 1.00 0.00 C ATOM 821 O GLN A 52 -0.747 5.142 1.469 1.00 0.00 O ATOM 822 CB GLN A 52 -3.842 5.789 0.818 1.00 0.00 C ATOM 823 CG GLN A 52 -5.072 6.603 0.445 1.00 0.00 C ATOM 824 CD GLN A 52 -6.109 6.653 1.554 1.00 0.00 C ATOM 825 OE1 GLN A 52 -7.041 5.849 1.582 1.00 0.00 O ATOM 826 NE2 GLN A 52 -5.952 7.599 2.475 1.00 0.00 N ATOM 0 H GLN A 52 -3.493 7.539 -0.912 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.316 7.143 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.825 4.882 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.930 5.477 1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.766 7.619 0.195 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.525 6.177 -0.450 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.165 8.245 2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.619 7.679 3.243 1.00 0.00 H new ATOM 835 N ALA A 53 -1.155 5.051 -0.742 1.00 0.00 N ATOM 836 CA ALA A 53 -0.106 4.059 -0.998 1.00 0.00 C ATOM 837 C ALA A 53 1.287 4.692 -1.064 1.00 0.00 C ATOM 838 O ALA A 53 2.203 4.243 -0.376 1.00 0.00 O ATOM 839 CB ALA A 53 -0.389 3.269 -2.266 1.00 0.00 C ATOM 0 H ALA A 53 -1.674 5.344 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.116 3.372 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.407 2.542 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.341 2.748 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.436 3.950 -3.116 1.00 0.00 H new ATOM 845 N VAL A 54 1.455 5.719 -1.906 1.00 0.00 N ATOM 846 CA VAL A 54 2.758 6.382 -2.059 1.00 0.00 C ATOM 847 C VAL A 54 3.295 6.886 -0.713 1.00 0.00 C ATOM 848 O VAL A 54 4.501 6.828 -0.470 1.00 0.00 O ATOM 849 CB VAL A 54 2.720 7.537 -3.102 1.00 0.00 C ATOM 850 CG1 VAL A 54 1.848 7.171 -4.301 1.00 0.00 C ATOM 851 CG2 VAL A 54 2.257 8.851 -2.480 1.00 0.00 C ATOM 0 H VAL A 54 0.713 6.107 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 54 3.444 5.625 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 54 3.742 7.682 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.841 7.997 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.249 6.280 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.830 6.974 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.245 9.630 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.254 8.727 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.941 9.136 -1.681 1.00 0.00 H new ATOM 861 N LYS A 55 2.398 7.346 0.173 1.00 0.00 N ATOM 862 CA LYS A 55 2.807 7.811 1.505 1.00 0.00 C ATOM 863 C LYS A 55 3.590 6.701 2.200 1.00 0.00 C ATOM 864 O LYS A 55 4.578 6.944 2.896 1.00 0.00 O ATOM 865 CB LYS A 55 1.586 8.161 2.380 1.00 0.00 C ATOM 866 CG LYS A 55 0.648 9.233 1.831 1.00 0.00 C ATOM 867 CD LYS A 55 1.322 10.158 0.821 1.00 0.00 C ATOM 868 CE LYS A 55 0.445 11.357 0.484 1.00 0.00 C ATOM 869 NZ LYS A 55 0.492 12.402 1.545 1.00 0.00 N ATOM 0 H LYS A 55 1.396 7.405 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 55 3.417 8.706 1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.008 7.251 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.946 8.488 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.208 8.751 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.262 9.828 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.274 10.505 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.545 9.602 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.769 11.788 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.584 11.026 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.119 13.199 1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.158 11.999 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.470 12.738 1.658 1.00 0.00 H new ATOM 883 N LYS A 56 3.109 5.477 1.988 1.00 0.00 N ATOM 884 CA LYS A 56 3.715 4.291 2.571 1.00 0.00 C ATOM 885 C LYS A 56 5.078 4.028 1.944 1.00 0.00 C ATOM 886 O LYS A 56 6.016 3.630 2.636 1.00 0.00 O ATOM 887 CB LYS A 56 2.804 3.071 2.440 1.00 0.00 C ATOM 888 CG LYS A 56 1.758 2.985 3.546 1.00 0.00 C ATOM 889 CD LYS A 56 0.840 4.200 3.533 1.00 0.00 C ATOM 890 CE LYS A 56 1.079 5.132 4.713 1.00 0.00 C ATOM 891 NZ LYS A 56 0.261 4.755 5.900 1.00 0.00 N ATOM 0 H LYS A 56 2.292 5.285 1.409 1.00 0.00 H new ATOM 0 HA LYS A 56 3.855 4.475 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.301 3.103 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.413 2.167 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.167 2.078 3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.254 2.911 4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.988 4.751 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.198 3.866 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.135 5.114 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.842 6.155 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.455 5.416 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.748 4.797 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.505 3.788 6.197 1.00 0.00 H new ATOM 905 N LEU A 57 5.195 4.263 0.629 1.00 0.00 N ATOM 906 CA LEU A 57 6.462 4.060 -0.074 1.00 0.00 C ATOM 907 C LEU A 57 7.509 5.048 0.413 1.00 0.00 C ATOM 908 O LEU A 57 8.671 4.696 0.603 1.00 0.00 O ATOM 909 CB LEU A 57 6.288 4.231 -1.585 1.00 0.00 C ATOM 910 CG LEU A 57 5.153 3.432 -2.237 1.00 0.00 C ATOM 911 CD1 LEU A 57 5.518 3.093 -3.675 1.00 0.00 C ATOM 912 CD2 LEU A 57 4.831 2.162 -1.456 1.00 0.00 C ATOM 0 H LEU A 57 4.431 4.591 0.038 1.00 0.00 H new ATOM 0 HA LEU A 57 6.791 3.042 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.124 5.288 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.224 3.953 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 57 4.258 4.054 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.707 2.525 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.678 4.013 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.430 2.497 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.022 1.625 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.716 1.526 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.525 2.425 -0.443 1.00 0.00 H new ATOM 924 N VAL A 58 7.085 6.293 0.612 1.00 0.00 N ATOM 925 CA VAL A 58 7.996 7.336 1.080 1.00 0.00 C ATOM 926 C VAL A 58 8.589 6.961 2.447 1.00 0.00 C ATOM 927 O VAL A 58 9.742 7.274 2.749 1.00 0.00 O ATOM 928 CB VAL A 58 7.286 8.713 1.178 1.00 0.00 C ATOM 929 CG1 VAL A 58 8.185 9.754 1.839 1.00 0.00 C ATOM 930 CG2 VAL A 58 6.844 9.186 -0.203 1.00 0.00 C ATOM 0 H VAL A 58 6.126 6.604 0.459 1.00 0.00 H new ATOM 0 HA VAL A 58 8.800 7.418 0.348 1.00 0.00 H new ATOM 0 HB VAL A 58 6.402 8.590 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.659 10.707 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.444 9.425 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.095 9.874 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.348 10.153 -0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.715 9.283 -0.851 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.152 8.461 -0.632 1.00 0.00 H new ATOM 940 N LYS A 59 7.773 6.292 3.262 1.00 0.00 N ATOM 941 CA LYS A 59 8.153 5.855 4.596 1.00 0.00 C ATOM 942 C LYS A 59 9.243 4.777 4.563 1.00 0.00 C ATOM 943 O LYS A 59 10.048 4.677 5.491 1.00 0.00 O ATOM 944 CB LYS A 59 6.903 5.324 5.301 1.00 0.00 C ATOM 945 CG LYS A 59 7.185 4.502 6.549 1.00 0.00 C ATOM 946 CD LYS A 59 7.066 3.010 6.270 1.00 0.00 C ATOM 947 CE LYS A 59 5.623 2.523 6.352 1.00 0.00 C ATOM 948 NZ LYS A 59 5.075 2.616 7.736 1.00 0.00 N ATOM 0 H LYS A 59 6.819 6.038 3.007 1.00 0.00 H new ATOM 0 HA LYS A 59 8.569 6.704 5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.268 6.168 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.337 4.712 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.187 4.726 6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.487 4.783 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.465 2.794 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.675 2.458 6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.003 3.113 5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.570 1.489 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.263 1.973 7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.811 2.348 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.768 3.592 7.923 1.00 0.00 H new ATOM 962 N ARG A 60 9.251 3.970 3.499 1.00 0.00 N ATOM 963 CA ARG A 60 10.231 2.880 3.341 1.00 0.00 C ATOM 964 C ARG A 60 11.588 3.255 3.936 1.00 0.00 C ATOM 965 O ARG A 60 12.035 2.652 4.913 1.00 0.00 O ATOM 966 CB ARG A 60 10.415 2.522 1.862 1.00 0.00 C ATOM 967 CG ARG A 60 9.212 1.844 1.227 1.00 0.00 C ATOM 968 CD ARG A 60 9.280 1.923 -0.289 1.00 0.00 C ATOM 969 NE ARG A 60 8.610 0.800 -0.942 1.00 0.00 N ATOM 970 CZ ARG A 60 8.190 0.816 -2.210 1.00 0.00 C ATOM 971 NH1 ARG A 60 8.343 1.903 -2.959 1.00 0.00 N ATOM 972 NH2 ARG A 60 7.628 -0.264 -2.733 1.00 0.00 N ATOM 0 H ARG A 60 8.588 4.048 2.728 1.00 0.00 H new ATOM 0 HA ARG A 60 9.837 2.018 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.640 3.432 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.280 1.866 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.172 0.800 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.295 2.318 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.824 2.856 -0.621 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.324 1.949 -0.601 1.00 0.00 H new ATOM 0 HE ARG A 60 8.454 -0.047 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.784 2.735 -2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.019 1.906 -3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.517 -1.106 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.307 -0.254 -3.701 1.00 0.00 H new ATOM 986 N ALA A 61 12.233 4.256 3.332 1.00 0.00 N ATOM 987 CA ALA A 61 13.545 4.732 3.782 1.00 0.00 C ATOM 988 C ALA A 61 14.618 3.646 3.655 1.00 0.00 C ATOM 989 O ALA A 61 14.307 2.472 3.450 1.00 0.00 O ATOM 990 CB ALA A 61 13.466 5.240 5.219 1.00 0.00 C ATOM 0 H ALA A 61 11.865 4.757 2.523 1.00 0.00 H new ATOM 0 HA ALA A 61 13.835 5.557 3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.449 5.589 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 61 12.753 6.063 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.140 4.432 5.873 1.00 0.00 H new ATOM 996 N ALA A 62 15.884 4.052 3.777 1.00 0.00 N ATOM 997 CA ALA A 62 17.005 3.125 3.676 1.00 0.00 C ATOM 998 C ALA A 62 17.441 2.629 5.055 1.00 0.00 C ATOM 999 O ALA A 62 17.683 3.427 5.962 1.00 0.00 O ATOM 1000 CB ALA A 62 18.175 3.787 2.956 1.00 0.00 C ATOM 0 H ALA A 62 16.155 5.021 3.946 1.00 0.00 H new ATOM 0 HA ALA A 62 16.676 2.261 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 62 19.005 3.084 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 62 17.865 4.082 1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 62 18.492 4.669 3.512 1.00 0.00 H new ATOM 1006 N GLY A 63 17.541 1.305 5.202 1.00 0.00 N ATOM 1007 CA GLY A 63 17.950 0.717 6.469 1.00 0.00 C ATOM 1008 C GLY A 63 16.783 0.446 7.407 1.00 0.00 C ATOM 1009 O GLY A 63 16.966 0.386 8.624 1.00 0.00 O ATOM 0 H GLY A 63 17.345 0.630 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.477 -0.217 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.656 1.385 6.961 1.00 0.00 H new ATOM 1013 N GLN A 64 15.582 0.280 6.844 1.00 0.00 N ATOM 1014 CA GLN A 64 14.384 0.010 7.642 1.00 0.00 C ATOM 1015 C GLN A 64 13.471 -0.985 6.914 1.00 0.00 C ATOM 1016 O GLN A 64 13.892 -2.108 6.628 1.00 0.00 O ATOM 1017 CB GLN A 64 13.648 1.324 7.958 1.00 0.00 C ATOM 1018 CG GLN A 64 14.436 2.268 8.856 1.00 0.00 C ATOM 1019 CD GLN A 64 13.622 3.470 9.303 1.00 0.00 C ATOM 1020 OE1 GLN A 64 13.658 4.526 8.671 1.00 0.00 O ATOM 1021 NE2 GLN A 64 12.884 3.316 10.398 1.00 0.00 N ATOM 0 H GLN A 64 15.415 0.328 5.839 1.00 0.00 H new ATOM 0 HA GLN A 64 14.681 -0.443 8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.417 1.835 7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.697 1.091 8.437 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.783 1.723 9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.323 2.613 8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.884 2.423 10.891 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.318 4.091 10.745 1.00 0.00 H new ATOM 1030 N ASP A 65 12.238 -0.578 6.596 1.00 0.00 N ATOM 1031 CA ASP A 65 11.308 -1.450 5.882 1.00 0.00 C ATOM 1032 C ASP A 65 11.475 -1.263 4.372 1.00 0.00 C ATOM 1033 O ASP A 65 10.519 -1.406 3.608 1.00 0.00 O ATOM 1034 CB ASP A 65 9.863 -1.148 6.305 1.00 0.00 C ATOM 1035 CG ASP A 65 8.929 -2.325 6.085 1.00 0.00 C ATOM 1036 OD1 ASP A 65 8.974 -3.278 6.893 1.00 0.00 O ATOM 1037 OD2 ASP A 65 8.154 -2.293 5.107 1.00 0.00 O ATOM 0 H ASP A 65 11.865 0.344 6.821 1.00 0.00 H new ATOM 0 HA ASP A 65 11.529 -2.487 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.848 -0.870 7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.496 -0.289 5.743 1.00 0.00 H new ATOM 1042 N ASP A 66 12.702 -0.915 3.961 1.00 0.00 N ATOM 1043 CA ASP A 66 13.042 -0.671 2.575 1.00 0.00 C ATOM 1044 C ASP A 66 12.303 -1.575 1.602 1.00 0.00 C ATOM 1045 O ASP A 66 12.183 -2.786 1.798 1.00 0.00 O ATOM 1046 CB ASP A 66 14.550 -0.796 2.342 1.00 0.00 C ATOM 1047 CG ASP A 66 15.113 -2.133 2.795 1.00 0.00 C ATOM 1048 OD1 ASP A 66 15.178 -3.062 1.964 1.00 0.00 O ATOM 1049 OD2 ASP A 66 15.489 -2.247 3.981 1.00 0.00 O ATOM 0 H ASP A 66 13.488 -0.797 4.600 1.00 0.00 H new ATOM 0 HA ASP A 66 12.723 0.352 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.760 -0.660 1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.062 0.006 2.874 1.00 0.00 H new ATOM 1054 N VAL A 67 11.840 -0.927 0.553 1.00 0.00 N ATOM 1055 CA VAL A 67 11.101 -1.540 -0.559 1.00 0.00 C ATOM 1056 C VAL A 67 10.867 -3.040 -0.401 1.00 0.00 C ATOM 1057 O VAL A 67 11.591 -3.864 -0.965 1.00 0.00 O ATOM 1058 CB VAL A 67 11.813 -1.278 -1.906 1.00 0.00 C ATOM 1059 CG1 VAL A 67 11.691 0.188 -2.296 1.00 0.00 C ATOM 1060 CG2 VAL A 67 13.280 -1.704 -1.849 1.00 0.00 C ATOM 0 H VAL A 67 11.967 0.078 0.436 1.00 0.00 H new ATOM 0 HA VAL A 67 10.122 -1.061 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 67 11.322 -1.881 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.198 0.355 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 67 10.638 0.452 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.150 0.809 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.754 -1.507 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.793 -1.140 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.341 -2.769 -1.626 1.00 0.00 H new ATOM 1070 N PRO A 68 9.814 -3.409 0.341 1.00 0.00 N ATOM 1071 CA PRO A 68 9.442 -4.799 0.540 1.00 0.00 C ATOM 1072 C PRO A 68 8.687 -5.326 -0.676 1.00 0.00 C ATOM 1073 O PRO A 68 8.242 -4.544 -1.520 1.00 0.00 O ATOM 1074 CB PRO A 68 8.538 -4.740 1.770 1.00 0.00 C ATOM 1075 CG PRO A 68 7.897 -3.394 1.702 1.00 0.00 C ATOM 1076 CD PRO A 68 8.883 -2.484 1.009 1.00 0.00 C ATOM 0 HA PRO A 68 10.294 -5.466 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.793 -5.535 1.753 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.111 -4.860 2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.957 -3.439 1.151 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.664 -3.025 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.387 -1.830 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.401 -1.841 1.721 1.00 0.00 H new ATOM 1084 N GLY A 69 8.536 -6.643 -0.771 1.00 0.00 N ATOM 1085 CA GLY A 69 7.823 -7.219 -1.898 1.00 0.00 C ATOM 1086 C GLY A 69 6.316 -7.007 -1.818 1.00 0.00 C ATOM 1087 O GLY A 69 5.576 -7.524 -2.656 1.00 0.00 O ATOM 0 H GLY A 69 8.891 -7.318 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.198 -6.779 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.032 -8.288 -1.946 1.00 0.00 H new ATOM 1091 N ASP A 70 5.856 -6.278 -0.792 1.00 0.00 N ATOM 1092 CA ASP A 70 4.425 -6.046 -0.604 1.00 0.00 C ATOM 1093 C ASP A 70 3.961 -4.645 -1.014 1.00 0.00 C ATOM 1094 O ASP A 70 2.809 -4.494 -1.409 1.00 0.00 O ATOM 1095 CB ASP A 70 4.027 -6.318 0.849 1.00 0.00 C ATOM 1096 CG ASP A 70 4.341 -7.738 1.285 1.00 0.00 C ATOM 1097 OD1 ASP A 70 5.451 -7.966 1.811 1.00 0.00 O ATOM 1098 OD2 ASP A 70 3.477 -8.620 1.100 1.00 0.00 O ATOM 0 H ASP A 70 6.452 -5.844 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 70 3.922 -6.745 -1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.548 -5.618 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.960 -6.132 0.970 1.00 0.00 H new ATOM 1103 N LEU A 71 4.818 -3.617 -0.942 1.00 0.00 N ATOM 1104 CA LEU A 71 4.380 -2.281 -1.345 1.00 0.00 C ATOM 1105 C LEU A 71 4.528 -2.136 -2.837 1.00 0.00 C ATOM 1106 O LEU A 71 3.601 -1.715 -3.525 1.00 0.00 O ATOM 1107 CB LEU A 71 5.161 -1.171 -0.647 1.00 0.00 C ATOM 1108 CG LEU A 71 5.075 -1.178 0.873 1.00 0.00 C ATOM 1109 CD1 LEU A 71 6.167 -0.302 1.467 1.00 0.00 C ATOM 1110 CD2 LEU A 71 3.692 -0.712 1.333 1.00 0.00 C ATOM 0 H LEU A 71 5.784 -3.682 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 71 3.336 -2.178 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.209 -1.248 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.800 -0.209 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 71 5.224 -2.198 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.094 -0.316 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.143 -0.682 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.048 0.721 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.648 -0.723 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.511 0.301 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.931 -1.381 0.932 1.00 0.00 H new ATOM 1122 N ARG A 72 5.705 -2.498 -3.332 1.00 0.00 N ATOM 1123 CA ARG A 72 5.988 -2.427 -4.752 1.00 0.00 C ATOM 1124 C ARG A 72 4.984 -3.272 -5.536 1.00 0.00 C ATOM 1125 O ARG A 72 4.287 -2.771 -6.411 1.00 0.00 O ATOM 1126 CB ARG A 72 7.413 -2.905 -5.022 1.00 0.00 C ATOM 1127 CG ARG A 72 8.084 -2.203 -6.191 1.00 0.00 C ATOM 1128 CD ARG A 72 8.853 -3.176 -7.076 1.00 0.00 C ATOM 1129 NE ARG A 72 10.103 -3.620 -6.454 1.00 0.00 N ATOM 1130 CZ ARG A 72 10.923 -4.531 -6.987 1.00 0.00 C ATOM 1131 NH1 ARG A 72 10.635 -5.103 -8.154 1.00 0.00 N ATOM 1132 NH2 ARG A 72 12.036 -4.872 -6.348 1.00 0.00 N ATOM 0 H ARG A 72 6.479 -2.844 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 72 5.896 -1.392 -5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.014 -2.752 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.396 -3.978 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.330 -1.690 -6.787 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.765 -1.440 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.227 -4.043 -7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.074 -2.699 -8.031 1.00 0.00 H new ATOM 0 HE ARG A 72 10.364 -3.208 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.782 -4.847 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.268 -5.797 -8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.263 -4.439 -5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.664 -5.567 -6.752 1.00 0.00 H new ATOM 1146 N ALA A 73 4.946 -4.567 -5.229 1.00 0.00 N ATOM 1147 CA ALA A 73 4.054 -5.501 -5.922 1.00 0.00 C ATOM 1148 C ALA A 73 2.614 -5.017 -5.864 1.00 0.00 C ATOM 1149 O ALA A 73 1.828 -5.238 -6.787 1.00 0.00 O ATOM 1150 CB ALA A 73 4.173 -6.896 -5.323 1.00 0.00 C ATOM 0 H ALA A 73 5.522 -4.996 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 73 4.355 -5.547 -6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.504 -7.576 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.200 -7.248 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.901 -6.863 -4.268 1.00 0.00 H new ATOM 1156 N LYS A 74 2.290 -4.346 -4.768 1.00 0.00 N ATOM 1157 CA LYS A 74 0.953 -3.808 -4.564 1.00 0.00 C ATOM 1158 C LYS A 74 0.791 -2.510 -5.342 1.00 0.00 C ATOM 1159 O LYS A 74 -0.249 -2.272 -5.955 1.00 0.00 O ATOM 1160 CB LYS A 74 0.671 -3.580 -3.075 1.00 0.00 C ATOM 1161 CG LYS A 74 -0.812 -3.517 -2.732 1.00 0.00 C ATOM 1162 CD LYS A 74 -1.444 -4.903 -2.722 1.00 0.00 C ATOM 1163 CE LYS A 74 -2.949 -4.836 -2.501 1.00 0.00 C ATOM 1164 NZ LYS A 74 -3.599 -6.164 -2.684 1.00 0.00 N ATOM 0 H LYS A 74 2.939 -4.161 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 74 0.230 -4.536 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.133 -4.383 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.146 -2.650 -2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.941 -3.051 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.327 -2.887 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.237 -5.404 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.988 -5.505 -1.936 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.152 -4.469 -1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.386 -4.119 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.623 -6.074 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.428 -6.504 -3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.201 -6.842 -2.003 1.00 0.00 H new ATOM 1178 N VAL A 75 1.831 -1.675 -5.317 1.00 0.00 N ATOM 1179 CA VAL A 75 1.788 -0.405 -6.033 1.00 0.00 C ATOM 1180 C VAL A 75 1.933 -0.634 -7.538 1.00 0.00 C ATOM 1181 O VAL A 75 1.101 -0.160 -8.311 1.00 0.00 O ATOM 1182 CB VAL A 75 2.826 0.625 -5.507 1.00 0.00 C ATOM 1183 CG1 VAL A 75 4.225 0.359 -6.044 1.00 0.00 C ATOM 1184 CG2 VAL A 75 2.379 2.042 -5.841 1.00 0.00 C ATOM 0 H VAL A 75 2.701 -1.854 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 75 0.810 0.037 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 75 2.876 0.515 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.915 1.105 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.550 -0.635 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.214 0.416 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.115 2.753 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.287 2.149 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.414 2.239 -5.374 1.00 0.00 H new ATOM 1194 N MET A 76 2.981 -1.355 -7.967 1.00 0.00 N ATOM 1195 CA MET A 76 3.185 -1.622 -9.393 1.00 0.00 C ATOM 1196 C MET A 76 1.936 -2.273 -9.989 1.00 0.00 C ATOM 1197 O MET A 76 1.444 -1.851 -11.035 1.00 0.00 O ATOM 1198 CB MET A 76 4.447 -2.489 -9.615 1.00 0.00 C ATOM 1199 CG MET A 76 4.298 -3.963 -9.247 1.00 0.00 C ATOM 1200 SD MET A 76 3.847 -5.003 -10.653 1.00 0.00 S ATOM 1201 CE MET A 76 3.774 -6.615 -9.874 1.00 0.00 C ATOM 0 H MET A 76 3.690 -1.757 -7.353 1.00 0.00 H new ATOM 0 HA MET A 76 3.350 -0.677 -9.910 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.735 -2.421 -10.664 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.265 -2.067 -9.032 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.236 -4.322 -8.823 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.539 -4.063 -8.471 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.506 -7.366 -10.617 1.00 0.00 H new ATOM 0 HE2 MET A 76 4.747 -6.857 -9.448 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.024 -6.603 -9.083 1.00 0.00 H new ATOM 1211 N GLY A 77 1.424 -3.297 -9.303 1.00 0.00 N ATOM 1212 CA GLY A 77 0.229 -3.986 -9.761 1.00 0.00 C ATOM 1213 C GLY A 77 -0.965 -3.057 -9.823 1.00 0.00 C ATOM 1214 O GLY A 77 -1.856 -3.242 -10.651 1.00 0.00 O ATOM 0 H GLY A 77 1.819 -3.661 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.410 -4.412 -10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.009 -4.817 -9.091 1.00 0.00 H new ATOM 1218 N ARG A 78 -0.955 -2.024 -8.971 1.00 0.00 N ATOM 1219 CA ARG A 78 -2.011 -1.027 -8.959 1.00 0.00 C ATOM 1220 C ARG A 78 -1.810 -0.108 -10.149 1.00 0.00 C ATOM 1221 O ARG A 78 -2.766 0.247 -10.831 1.00 0.00 O ATOM 1222 CB ARG A 78 -1.994 -0.220 -7.661 1.00 0.00 C ATOM 1223 CG ARG A 78 -2.723 -0.892 -6.505 1.00 0.00 C ATOM 1224 CD ARG A 78 -4.228 -0.676 -6.585 1.00 0.00 C ATOM 1225 NE ARG A 78 -4.898 -0.981 -5.318 1.00 0.00 N ATOM 1226 CZ ARG A 78 -5.203 -2.216 -4.903 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -4.900 -3.278 -5.646 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -5.815 -2.388 -3.737 1.00 0.00 N ATOM 0 H ARG A 78 -0.220 -1.864 -8.282 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.979 -1.524 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.959 -0.041 -7.370 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.446 0.755 -7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.508 -1.961 -6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.349 -0.497 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.431 0.359 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.642 -1.304 -7.374 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.149 -0.200 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.430 -3.156 -6.543 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.138 -4.214 -5.318 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.051 -1.580 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.049 -3.328 -3.418 1.00 0.00 H new ATOM 1242 N LEU A 79 -0.542 0.242 -10.424 1.00 0.00 N ATOM 1243 CA LEU A 79 -0.226 1.073 -11.574 1.00 0.00 C ATOM 1244 C LEU A 79 -0.754 0.350 -12.802 1.00 0.00 C ATOM 1245 O LEU A 79 -1.573 0.875 -13.548 1.00 0.00 O ATOM 1246 CB LEU A 79 1.288 1.296 -11.677 1.00 0.00 C ATOM 1247 CG LEU A 79 1.757 2.022 -12.939 1.00 0.00 C ATOM 1248 CD1 LEU A 79 2.998 2.853 -12.642 1.00 0.00 C ATOM 1249 CD2 LEU A 79 2.012 1.041 -14.082 1.00 0.00 C ATOM 0 H LEU A 79 0.265 -0.039 -9.867 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.686 2.057 -11.482 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.615 1.866 -10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.786 0.327 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 79 0.961 2.695 -13.259 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.320 3.364 -13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.767 3.590 -11.873 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.797 2.201 -12.290 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.344 1.588 -14.964 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.782 0.329 -13.785 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.092 0.504 -14.313 1.00 0.00 H new ATOM 1261 N ASP A 80 -0.275 -0.880 -12.979 1.00 0.00 N ATOM 1262 CA ASP A 80 -0.688 -1.735 -14.087 1.00 0.00 C ATOM 1263 C ASP A 80 -2.217 -1.844 -14.131 1.00 0.00 C ATOM 1264 O ASP A 80 -2.807 -1.973 -15.204 1.00 0.00 O ATOM 1265 CB ASP A 80 -0.058 -3.126 -13.935 1.00 0.00 C ATOM 1266 CG ASP A 80 -0.391 -4.059 -15.086 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -1.344 -4.854 -14.950 1.00 0.00 O ATOM 1268 OD2 ASP A 80 0.303 -3.992 -16.123 1.00 0.00 O ATOM 0 H ASP A 80 0.410 -1.311 -12.358 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.346 -1.293 -15.023 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.024 -3.022 -13.861 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.400 -3.573 -13.002 1.00 0.00 H new ATOM 1273 N LEU A 81 -2.852 -1.733 -12.955 1.00 0.00 N ATOM 1274 CA LEU A 81 -4.299 -1.754 -12.842 1.00 0.00 C ATOM 1275 C LEU A 81 -4.843 -0.445 -13.368 1.00 0.00 C ATOM 1276 O LEU A 81 -5.795 -0.393 -14.139 1.00 0.00 O ATOM 1277 CB LEU A 81 -4.675 -1.858 -11.372 1.00 0.00 C ATOM 1278 CG LEU A 81 -5.912 -2.682 -11.065 1.00 0.00 C ATOM 1279 CD1 LEU A 81 -6.170 -2.683 -9.569 1.00 0.00 C ATOM 1280 CD2 LEU A 81 -7.105 -2.116 -11.822 1.00 0.00 C ATOM 0 H LEU A 81 -2.369 -1.627 -12.063 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.704 -2.596 -13.403 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.832 -2.286 -10.830 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.826 -0.851 -10.983 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.756 -3.712 -11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.059 -3.276 -9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.312 -3.114 -9.052 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.324 -1.660 -9.226 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.992 -2.710 -11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.273 -1.083 -11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.905 -2.149 -12.893 1.00 0.00 H new ATOM 1292 N ILE A 82 -4.176 0.603 -12.920 1.00 0.00 N ATOM 1293 CA ILE A 82 -4.501 1.971 -13.296 1.00 0.00 C ATOM 1294 C ILE A 82 -4.381 2.126 -14.812 1.00 0.00 C ATOM 1295 O ILE A 82 -5.300 2.599 -15.482 1.00 0.00 O ATOM 1296 CB ILE A 82 -3.558 2.973 -12.582 1.00 0.00 C ATOM 1297 CG1 ILE A 82 -3.967 3.135 -11.110 1.00 0.00 C ATOM 1298 CG2 ILE A 82 -3.541 4.321 -13.290 1.00 0.00 C ATOM 1299 CD1 ILE A 82 -2.803 3.409 -10.179 1.00 0.00 C ATOM 0 H ILE A 82 -3.386 0.530 -12.279 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.524 2.187 -12.989 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.546 2.569 -12.620 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.685 3.952 -11.030 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.477 2.229 -10.782 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.870 5.000 -12.764 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.193 4.189 -14.315 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.547 4.740 -13.299 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.170 3.511 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.095 2.582 -10.229 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.306 4.331 -10.480 1.00 0.00 H new ATOM 1311 N ARG A 83 -3.224 1.727 -15.330 1.00 0.00 N ATOM 1312 CA ARG A 83 -2.902 1.795 -16.727 1.00 0.00 C ATOM 1313 C ARG A 83 -3.832 0.927 -17.588 1.00 0.00 C ATOM 1314 O ARG A 83 -4.227 1.333 -18.682 1.00 0.00 O ATOM 1315 CB ARG A 83 -1.445 1.357 -16.835 1.00 0.00 C ATOM 1316 CG ARG A 83 -1.208 0.063 -17.585 1.00 0.00 C ATOM 1317 CD ARG A 83 0.189 0.022 -18.181 1.00 0.00 C ATOM 1318 NE ARG A 83 1.111 -0.802 -17.395 1.00 0.00 N ATOM 1319 CZ ARG A 83 2.334 -1.156 -17.803 1.00 0.00 C ATOM 1320 NH1 ARG A 83 2.796 -0.761 -18.986 1.00 0.00 N ATOM 1321 NH2 ARG A 83 3.100 -1.907 -17.018 1.00 0.00 N ATOM 0 H ARG A 83 -2.471 1.338 -14.762 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.043 2.805 -17.111 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.881 2.150 -17.326 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.039 1.253 -15.829 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.343 -0.782 -16.910 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.948 -0.041 -18.378 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.135 -0.368 -19.198 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.581 1.037 -18.249 1.00 0.00 H new ATOM 0 HE ARG A 83 0.800 -1.126 -16.479 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.216 -0.182 -19.593 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.731 -1.037 -19.287 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.754 -2.211 -16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.034 -2.179 -17.326 1.00 0.00 H new ATOM 1335 N SER A 84 -4.153 -0.272 -17.098 1.00 0.00 N ATOM 1336 CA SER A 84 -5.010 -1.205 -17.832 1.00 0.00 C ATOM 1337 C SER A 84 -6.371 -1.411 -17.153 1.00 0.00 C ATOM 1338 O SER A 84 -6.979 -2.476 -17.287 1.00 0.00 O ATOM 1339 CB SER A 84 -4.296 -2.552 -17.995 1.00 0.00 C ATOM 1340 OG SER A 84 -4.917 -3.342 -18.995 1.00 0.00 O ATOM 0 H SER A 84 -3.832 -0.620 -16.195 1.00 0.00 H new ATOM 0 HA SER A 84 -5.202 -0.766 -18.811 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.251 -2.384 -18.257 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.304 -3.089 -17.046 1.00 0.00 H new ATOM 0 HG SER A 84 -5.880 -3.392 -18.821 1.00 0.00 H new ATOM 1346 N GLY A 85 -6.850 -0.398 -16.429 1.00 0.00 N ATOM 1347 CA GLY A 85 -8.135 -0.510 -15.753 1.00 0.00 C ATOM 1348 C GLY A 85 -8.406 0.650 -14.811 1.00 0.00 C ATOM 1349 O GLY A 85 -7.751 1.689 -14.898 1.00 0.00 O ATOM 0 H GLY A 85 -6.373 0.494 -16.299 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.929 -0.561 -16.498 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.165 -1.443 -15.191 1.00 0.00 H new ATOM 1353 N GLN A 86 -9.378 0.473 -13.910 1.00 0.00 N ATOM 1354 CA GLN A 86 -9.739 1.514 -12.949 1.00 0.00 C ATOM 1355 C GLN A 86 -10.332 0.926 -11.664 1.00 0.00 C ATOM 1356 O GLN A 86 -10.021 1.392 -10.568 1.00 0.00 O ATOM 1357 CB GLN A 86 -10.731 2.497 -13.579 1.00 0.00 C ATOM 1358 CG GLN A 86 -10.073 3.524 -14.491 1.00 0.00 C ATOM 1359 CD GLN A 86 -10.612 4.929 -14.282 1.00 0.00 C ATOM 1360 OE1 GLN A 86 -10.098 5.686 -13.459 1.00 0.00 O ATOM 1361 NE2 GLN A 86 -11.655 5.285 -15.027 1.00 0.00 N ATOM 0 H GLN A 86 -9.927 -0.382 -13.828 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.824 2.042 -12.682 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.472 1.937 -14.150 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.267 3.018 -12.786 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.997 3.523 -14.315 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.227 3.232 -15.530 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.051 4.627 -15.698 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.059 6.216 -14.927 1.00 0.00 H new ATOM 1370 N SER A 87 -11.194 -0.088 -11.806 1.00 0.00 N ATOM 1371 CA SER A 87 -11.839 -0.730 -10.654 1.00 0.00 C ATOM 1372 C SER A 87 -10.824 -1.072 -9.559 1.00 0.00 C ATOM 1373 O SER A 87 -9.781 -1.671 -9.832 1.00 0.00 O ATOM 1374 CB SER A 87 -12.576 -1.998 -11.094 1.00 0.00 C ATOM 1375 OG SER A 87 -13.516 -2.410 -10.117 1.00 0.00 O ATOM 0 H SER A 87 -11.461 -0.482 -12.708 1.00 0.00 H new ATOM 0 HA SER A 87 -12.556 -0.020 -10.241 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.087 -1.815 -12.039 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.856 -2.798 -11.270 1.00 0.00 H new ATOM 0 HG SER A 87 -13.973 -3.220 -10.424 1.00 0.00 H new ATOM 1381 N VAL A 88 -11.141 -0.687 -8.321 1.00 0.00 N ATOM 1382 CA VAL A 88 -10.269 -0.946 -7.177 1.00 0.00 C ATOM 1383 C VAL A 88 -11.090 -1.203 -5.912 1.00 0.00 C ATOM 1384 O VAL A 88 -11.303 -0.307 -5.091 1.00 0.00 O ATOM 1385 CB VAL A 88 -9.291 0.225 -6.929 1.00 0.00 C ATOM 1386 CG1 VAL A 88 -8.083 0.133 -7.854 1.00 0.00 C ATOM 1387 CG2 VAL A 88 -10.012 1.552 -7.103 1.00 0.00 C ATOM 0 H VAL A 88 -12.001 -0.192 -8.086 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.688 -1.837 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.925 0.161 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.411 0.969 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.558 -0.805 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.416 0.169 -8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.315 2.371 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.405 1.622 -8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.834 1.615 -6.390 1.00 0.00 H new