USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 13 THR OG1 : rot 36:sc= 0.028 USER MOD Single : A 18 GLN :FLIP amide:sc= -3.8 F(o=-7.8!,f=-3.8) USER MOD Single : A 20 SER OG : rot 180:sc= -0.228 USER MOD Single : A 23 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.632 USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.466 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 86:sc= -0.431 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -68:sc= -1.03! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00672 USER MOD Single : A 50 CYS SG : rot 18:sc= 0.116 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.883 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0478 USER MOD Single : A 70 GLN : amide:sc= -0.0377 K(o=-0.038,f=-0.92) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00762) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 10.606 19.228 4.207 1.00 0.00 N ATOM 148 CA THR A 13 10.848 18.458 5.420 1.00 0.00 C ATOM 149 C THR A 13 10.417 17.007 5.246 1.00 0.00 C ATOM 150 O THR A 13 9.297 16.712 4.825 1.00 0.00 O ATOM 151 CB THR A 13 10.105 19.062 6.627 1.00 0.00 C ATOM 152 OG1 THR A 13 10.598 20.378 6.898 1.00 0.00 O ATOM 153 CG2 THR A 13 10.273 18.186 7.859 1.00 0.00 C ATOM 0 HA THR A 13 11.921 18.495 5.608 1.00 0.00 H new ATOM 0 HB THR A 13 9.044 19.117 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.812 20.827 6.054 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.740 18.633 8.698 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.868 17.194 7.658 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.332 18.103 8.105 1.00 0.00 H new ATOM 161 N PRO A 14 11.323 16.075 5.577 1.00 0.00 N ATOM 162 CA PRO A 14 11.057 14.638 5.467 1.00 0.00 C ATOM 163 C PRO A 14 10.041 14.155 6.495 1.00 0.00 C ATOM 164 O PRO A 14 9.762 14.842 7.479 1.00 0.00 O ATOM 165 CB PRO A 14 12.426 14.003 5.730 1.00 0.00 C ATOM 166 CG PRO A 14 13.157 15.007 6.552 1.00 0.00 C ATOM 167 CD PRO A 14 12.676 16.353 6.086 1.00 0.00 C ATOM 0 HA PRO A 14 10.628 14.377 4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.328 13.055 6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.952 13.796 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.953 14.866 7.613 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.235 14.910 6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.658 17.077 6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.321 16.763 5.309 1.00 0.00 H new ATOM 175 N VAL A 15 9.488 12.968 6.264 1.00 0.00 N ATOM 176 CA VAL A 15 8.503 12.393 7.172 1.00 0.00 C ATOM 177 C VAL A 15 8.616 10.873 7.214 1.00 0.00 C ATOM 178 O VAL A 15 9.140 10.253 6.289 1.00 0.00 O ATOM 179 CB VAL A 15 7.069 12.779 6.762 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.136 12.715 7.961 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.050 14.164 6.135 1.00 0.00 C ATOM 0 H VAL A 15 9.706 12.386 5.455 1.00 0.00 H new ATOM 0 HA VAL A 15 8.711 12.798 8.162 1.00 0.00 H new ATOM 0 HB VAL A 15 6.716 12.064 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.128 12.991 7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.128 11.702 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.482 13.407 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.029 14.421 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.421 14.894 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.686 14.171 5.250 1.00 0.00 H new ATOM 191 N PHE A 16 8.121 10.278 8.294 1.00 0.00 N ATOM 192 CA PHE A 16 8.166 8.829 8.458 1.00 0.00 C ATOM 193 C PHE A 16 6.831 8.299 8.972 1.00 0.00 C ATOM 194 O PHE A 16 6.419 8.605 10.090 1.00 0.00 O ATOM 195 CB PHE A 16 9.288 8.439 9.422 1.00 0.00 C ATOM 196 CG PHE A 16 10.079 7.245 8.969 1.00 0.00 C ATOM 197 CD1 PHE A 16 9.475 6.004 8.846 1.00 0.00 C ATOM 198 CD2 PHE A 16 11.426 7.363 8.667 1.00 0.00 C ATOM 199 CE1 PHE A 16 10.199 4.904 8.429 1.00 0.00 C ATOM 200 CE2 PHE A 16 12.155 6.266 8.250 1.00 0.00 C ATOM 201 CZ PHE A 16 11.541 5.034 8.131 1.00 0.00 C ATOM 0 H PHE A 16 7.684 10.777 9.069 1.00 0.00 H new ATOM 0 HA PHE A 16 8.363 8.383 7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.962 9.287 9.544 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.858 8.230 10.402 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.426 5.896 9.079 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.912 8.323 8.759 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.716 3.943 8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.204 6.371 8.017 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.109 4.175 7.806 1.00 0.00 H new ATOM 211 N GLU A 17 6.161 7.500 8.147 1.00 0.00 N ATOM 212 CA GLU A 17 4.873 6.927 8.517 1.00 0.00 C ATOM 213 C GLU A 17 4.870 5.414 8.311 1.00 0.00 C ATOM 214 O GLU A 17 5.696 4.878 7.574 1.00 0.00 O ATOM 215 CB GLU A 17 3.750 7.567 7.697 1.00 0.00 C ATOM 216 CG GLU A 17 2.471 7.788 8.486 1.00 0.00 C ATOM 217 CD GLU A 17 2.539 9.010 9.379 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.439 10.138 8.850 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.694 8.841 10.606 1.00 0.00 O ATOM 0 H GLU A 17 6.489 7.235 7.218 1.00 0.00 H new ATOM 0 HA GLU A 17 4.704 7.132 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.096 8.524 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.532 6.933 6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.636 7.895 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.269 6.908 9.096 1.00 0.00 H new ATOM 226 N GLN A 18 3.936 4.736 8.969 1.00 0.00 N ATOM 227 CA GLN A 18 3.826 3.286 8.859 1.00 0.00 C ATOM 228 C GLN A 18 2.376 2.864 8.654 1.00 0.00 C ATOM 229 O GLN A 18 1.466 3.398 9.291 1.00 0.00 O ATOM 230 CB GLN A 18 4.394 2.614 10.111 1.00 0.00 C ATOM 231 CG GLN A 18 5.812 2.096 9.934 1.00 0.00 C ATOM 232 CD GLN A 18 6.109 0.897 10.812 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.255 -0.268 10.194 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 6.206 1.017 12.035 1.00 0.00 N flip ATOM 0 H GLN A 18 3.245 5.167 9.583 1.00 0.00 H new ATOM 0 HA GLN A 18 4.403 2.968 7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.377 3.327 10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.746 1.785 10.394 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.968 1.824 8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.518 2.894 10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.086 1.932 12.469 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.406 0.201 12.613 1.00 0.00 H new ATOM 243 N LEU A 19 2.165 1.902 7.761 1.00 0.00 N ATOM 244 CA LEU A 19 0.823 1.407 7.472 1.00 0.00 C ATOM 245 C LEU A 19 0.757 -0.109 7.628 1.00 0.00 C ATOM 246 O LEU A 19 1.427 -0.847 6.908 1.00 0.00 O ATOM 247 CB LEU A 19 0.408 1.803 6.054 1.00 0.00 C ATOM 248 CG LEU A 19 -0.660 2.893 5.948 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.148 4.200 6.535 1.00 0.00 C ATOM 250 CD2 LEU A 19 -1.082 3.087 4.500 1.00 0.00 C ATOM 0 H LEU A 19 2.906 1.450 7.225 1.00 0.00 H new ATOM 0 HA LEU A 19 0.134 1.858 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.295 2.138 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.043 0.913 5.542 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.532 2.577 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.921 4.964 6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.104 4.053 7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.740 4.521 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.842 3.866 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.217 3.380 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.490 2.154 4.112 1.00 0.00 H new ATOM 262 N SER A 20 -0.058 -0.565 8.574 1.00 0.00 N ATOM 263 CA SER A 20 -0.212 -1.993 8.826 1.00 0.00 C ATOM 264 C SER A 20 -1.193 -2.617 7.839 1.00 0.00 C ATOM 265 O SER A 20 -2.367 -2.250 7.796 1.00 0.00 O ATOM 266 CB SER A 20 -0.694 -2.230 10.259 1.00 0.00 C ATOM 267 OG SER A 20 -2.075 -2.549 10.287 1.00 0.00 O ATOM 0 H SER A 20 -0.621 0.033 9.178 1.00 0.00 H new ATOM 0 HA SER A 20 0.761 -2.467 8.693 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.121 -3.041 10.709 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.511 -1.339 10.859 1.00 0.00 H new ATOM 0 HG SER A 20 -2.358 -2.697 11.214 1.00 0.00 H new ATOM 273 N VAL A 21 -0.701 -3.562 7.044 1.00 0.00 N ATOM 274 CA VAL A 21 -1.533 -4.239 6.056 1.00 0.00 C ATOM 275 C VAL A 21 -1.598 -5.738 6.327 1.00 0.00 C ATOM 276 O VAL A 21 -0.673 -6.336 6.877 1.00 0.00 O ATOM 277 CB VAL A 21 -1.007 -4.009 4.627 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.653 -2.545 4.417 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.195 -4.901 4.352 1.00 0.00 C ATOM 0 H VAL A 21 0.269 -3.876 7.065 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.533 -3.814 6.140 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.795 -4.272 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.283 -2.402 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.540 -1.931 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.119 -2.252 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.554 -4.726 3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.989 -4.671 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.096 -5.946 4.458 1.00 0.00 H new ATOM 289 N PRO A 22 -2.717 -6.363 5.931 1.00 0.00 N ATOM 290 CA PRO A 22 -2.930 -7.800 6.119 1.00 0.00 C ATOM 291 C PRO A 22 -2.028 -8.642 5.225 1.00 0.00 C ATOM 292 O PRO A 22 -1.638 -8.211 4.140 1.00 0.00 O ATOM 293 CB PRO A 22 -4.398 -7.996 5.732 1.00 0.00 C ATOM 294 CG PRO A 22 -4.697 -6.872 4.801 1.00 0.00 C ATOM 295 CD PRO A 22 -3.861 -5.713 5.269 1.00 0.00 C ATOM 0 HA PRO A 22 -2.697 -8.116 7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.555 -8.961 5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.046 -7.967 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.451 -7.141 3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.758 -6.621 4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.541 -5.087 4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.412 -5.072 5.957 1.00 0.00 H new ATOM 303 N GLN A 23 -1.698 -9.845 5.686 1.00 0.00 N ATOM 304 CA GLN A 23 -0.841 -10.746 4.925 1.00 0.00 C ATOM 305 C GLN A 23 -1.610 -11.391 3.778 1.00 0.00 C ATOM 306 O GLN A 23 -1.019 -11.831 2.791 1.00 0.00 O ATOM 307 CB GLN A 23 -0.266 -11.829 5.841 1.00 0.00 C ATOM 308 CG GLN A 23 -1.238 -12.959 6.132 1.00 0.00 C ATOM 309 CD GLN A 23 -0.555 -14.184 6.710 1.00 0.00 C ATOM 310 OE1 GLN A 23 -0.937 -15.317 6.420 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.462 -13.960 7.534 1.00 0.00 N ATOM 0 H GLN A 23 -2.011 -10.217 6.582 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.023 -10.161 4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.632 -12.243 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.039 -11.372 6.782 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.998 -12.608 6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.753 -13.235 5.212 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.745 -13.003 7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.960 -14.745 7.954 1.00 0.00 H new ATOM 320 N ARG A 24 -2.931 -11.443 3.913 1.00 0.00 N ATOM 321 CA ARG A 24 -3.782 -12.035 2.886 1.00 0.00 C ATOM 322 C ARG A 24 -3.953 -11.083 1.706 1.00 0.00 C ATOM 323 O ARG A 24 -4.414 -11.481 0.637 1.00 0.00 O ATOM 324 CB ARG A 24 -5.149 -12.391 3.471 1.00 0.00 C ATOM 325 CG ARG A 24 -5.868 -11.210 4.103 1.00 0.00 C ATOM 326 CD ARG A 24 -7.182 -11.634 4.741 1.00 0.00 C ATOM 327 NE ARG A 24 -7.432 -10.933 5.997 1.00 0.00 N ATOM 328 CZ ARG A 24 -7.679 -9.630 6.074 1.00 0.00 C ATOM 329 NH1 ARG A 24 -7.709 -8.890 4.974 1.00 0.00 N ATOM 330 NH2 ARG A 24 -7.898 -9.064 7.255 1.00 0.00 N ATOM 0 H ARG A 24 -3.436 -11.083 4.723 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.299 -12.945 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.775 -12.807 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.022 -13.172 4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.227 -10.753 4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.059 -10.451 3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.001 -11.439 4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.167 -12.709 4.923 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.416 -11.473 6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.542 -9.321 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.899 -7.890 5.037 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.877 -9.630 8.103 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.088 -8.063 7.314 1.00 0.00 H new ATOM 344 N SER A 25 -3.580 -9.823 1.910 1.00 0.00 N ATOM 345 CA SER A 25 -3.695 -8.813 0.864 1.00 0.00 C ATOM 346 C SER A 25 -2.330 -8.225 0.523 1.00 0.00 C ATOM 347 O SER A 25 -2.161 -7.575 -0.509 1.00 0.00 O ATOM 348 CB SER A 25 -4.648 -7.699 1.305 1.00 0.00 C ATOM 349 OG SER A 25 -5.660 -8.203 2.159 1.00 0.00 O ATOM 0 H SER A 25 -3.196 -9.478 2.790 1.00 0.00 H new ATOM 0 HA SER A 25 -4.096 -9.293 -0.028 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.087 -6.919 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.103 -7.238 0.429 1.00 0.00 H new ATOM 0 HG SER A 25 -6.255 -7.472 2.428 1.00 0.00 H new ATOM 355 N VAL A 26 -1.357 -8.457 1.398 1.00 0.00 N ATOM 356 CA VAL A 26 -0.004 -7.952 1.191 1.00 0.00 C ATOM 357 C VAL A 26 0.563 -8.434 -0.140 1.00 0.00 C ATOM 358 O VAL A 26 1.503 -7.846 -0.674 1.00 0.00 O ATOM 359 CB VAL A 26 0.938 -8.390 2.327 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.419 -9.815 2.103 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.115 -7.433 2.440 1.00 0.00 C ATOM 0 H VAL A 26 -1.480 -8.992 2.258 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.069 -6.864 1.183 1.00 0.00 H new ATOM 0 HB VAL A 26 0.385 -8.363 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.084 -10.107 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.562 -10.488 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.956 -9.873 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.771 -7.757 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.670 -7.427 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.748 -6.429 2.651 1.00 0.00 H new ATOM 371 N GLY A 27 -0.015 -9.507 -0.671 1.00 0.00 N ATOM 372 CA GLY A 27 0.447 -10.049 -1.935 1.00 0.00 C ATOM 373 C GLY A 27 -0.002 -9.218 -3.121 1.00 0.00 C ATOM 374 O GLY A 27 0.534 -9.353 -4.220 1.00 0.00 O ATOM 0 H GLY A 27 -0.795 -10.010 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.535 -10.106 -1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.076 -11.068 -2.048 1.00 0.00 H new ATOM 378 N ARG A 28 -0.989 -8.357 -2.899 1.00 0.00 N ATOM 379 CA ARG A 28 -1.512 -7.503 -3.958 1.00 0.00 C ATOM 380 C ARG A 28 -0.870 -6.120 -3.908 1.00 0.00 C ATOM 381 O ARG A 28 -0.965 -5.345 -4.860 1.00 0.00 O ATOM 382 CB ARG A 28 -3.032 -7.376 -3.837 1.00 0.00 C ATOM 383 CG ARG A 28 -3.685 -6.713 -5.040 1.00 0.00 C ATOM 384 CD ARG A 28 -4.289 -7.742 -5.983 1.00 0.00 C ATOM 385 NE ARG A 28 -3.691 -7.680 -7.314 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.767 -8.666 -8.200 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.412 -9.784 -7.898 1.00 0.00 N ATOM 388 NH2 ARG A 28 -3.197 -8.536 -9.392 1.00 0.00 N ATOM 0 H ARG A 28 -1.443 -8.232 -1.994 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.268 -7.964 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.462 -8.369 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.270 -6.801 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.462 -6.027 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.945 -6.118 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.149 -8.740 -5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.364 -7.577 -6.060 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.187 -6.833 -7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.851 -9.888 -6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.469 -10.540 -8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.700 -7.678 -9.629 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.257 -9.295 -10.071 1.00 0.00 H new ATOM 402 N ILE A 29 -0.217 -5.816 -2.791 1.00 0.00 N ATOM 403 CA ILE A 29 0.440 -4.527 -2.616 1.00 0.00 C ATOM 404 C ILE A 29 1.913 -4.603 -3.007 1.00 0.00 C ATOM 405 O ILE A 29 2.397 -3.799 -3.803 1.00 0.00 O ATOM 406 CB ILE A 29 0.332 -4.031 -1.163 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.117 -4.120 -0.678 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.847 -2.604 -1.050 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.244 -4.282 0.822 1.00 0.00 C ATOM 0 H ILE A 29 -0.129 -6.446 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.072 -3.822 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 29 0.948 -4.670 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.650 -3.220 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.605 -4.962 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.764 -2.268 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.891 -2.568 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.255 -1.952 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.298 -4.338 1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.740 -5.197 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.786 -3.428 1.320 1.00 0.00 H new ATOM 421 N ILE A 30 2.619 -5.577 -2.442 1.00 0.00 N ATOM 422 CA ILE A 30 4.034 -5.761 -2.734 1.00 0.00 C ATOM 423 C ILE A 30 4.235 -6.431 -4.088 1.00 0.00 C ATOM 424 O ILE A 30 5.299 -6.321 -4.696 1.00 0.00 O ATOM 425 CB ILE A 30 4.727 -6.606 -1.648 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.978 -5.762 -0.396 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.034 -7.179 -2.177 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.372 -5.179 -0.330 1.00 0.00 C ATOM 0 H ILE A 30 2.234 -6.250 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 30 4.483 -4.768 -2.754 1.00 0.00 H new ATOM 0 HB ILE A 30 4.071 -7.434 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.251 -4.950 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.808 -6.378 0.487 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.512 -7.774 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.831 -7.810 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.696 -6.364 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.479 -4.593 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.104 -5.986 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.539 -4.537 -1.195 1.00 0.00 H new ATOM 440 N GLY A 31 3.202 -7.125 -4.558 1.00 0.00 N ATOM 441 CA GLY A 31 3.284 -7.802 -5.839 1.00 0.00 C ATOM 442 C GLY A 31 3.833 -9.209 -5.717 1.00 0.00 C ATOM 443 O GLY A 31 3.522 -9.924 -4.765 1.00 0.00 O ATOM 0 H GLY A 31 2.310 -7.230 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.293 -7.840 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.919 -7.225 -6.512 1.00 0.00 H new ATOM 447 N ARG A 32 4.651 -9.609 -6.685 1.00 0.00 N ATOM 448 CA ARG A 32 5.242 -10.943 -6.683 1.00 0.00 C ATOM 449 C ARG A 32 6.715 -10.883 -6.291 1.00 0.00 C ATOM 450 O ARG A 32 7.546 -11.599 -6.849 1.00 0.00 O ATOM 451 CB ARG A 32 5.096 -11.589 -8.063 1.00 0.00 C ATOM 452 CG ARG A 32 6.077 -11.056 -9.093 1.00 0.00 C ATOM 453 CD ARG A 32 6.885 -12.177 -9.727 1.00 0.00 C ATOM 454 NE ARG A 32 7.724 -11.698 -10.822 1.00 0.00 N ATOM 455 CZ ARG A 32 8.733 -12.392 -11.334 1.00 0.00 C ATOM 456 NH1 ARG A 32 9.027 -13.593 -10.854 1.00 0.00 N ATOM 457 NH2 ARG A 32 9.450 -11.888 -12.331 1.00 0.00 N ATOM 0 H ARG A 32 4.920 -9.029 -7.480 1.00 0.00 H new ATOM 0 HA ARG A 32 4.712 -11.548 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.233 -12.666 -7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.080 -11.428 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.534 -10.515 -9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.752 -10.343 -8.619 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.512 -12.645 -8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.208 -12.946 -10.099 1.00 0.00 H new ATOM 0 HE ARG A 32 7.523 -10.779 -11.215 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.477 -13.985 -10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.803 -14.124 -11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.226 -10.966 -12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.225 -12.423 -12.723 1.00 0.00 H new ATOM 471 N GLY A 33 7.032 -10.024 -5.326 1.00 0.00 N ATOM 472 CA GLY A 33 8.404 -9.888 -4.876 1.00 0.00 C ATOM 473 C GLY A 33 8.817 -8.439 -4.710 1.00 0.00 C ATOM 474 O GLY A 33 9.811 -8.142 -4.047 1.00 0.00 O ATOM 0 H GLY A 33 6.363 -9.420 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.525 -10.409 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.068 -10.372 -5.592 1.00 0.00 H new ATOM 478 N GLY A 34 8.055 -7.534 -5.316 1.00 0.00 N ATOM 479 CA GLY A 34 8.366 -6.120 -5.222 1.00 0.00 C ATOM 480 C GLY A 34 7.975 -5.356 -6.471 1.00 0.00 C ATOM 481 O GLY A 34 7.767 -4.144 -6.425 1.00 0.00 O ATOM 0 H GLY A 34 7.228 -7.755 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.849 -5.694 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.434 -5.997 -5.044 1.00 0.00 H new ATOM 485 N GLU A 35 7.876 -6.065 -7.591 1.00 0.00 N ATOM 486 CA GLU A 35 7.509 -5.444 -8.859 1.00 0.00 C ATOM 487 C GLU A 35 6.376 -4.441 -8.665 1.00 0.00 C ATOM 488 O GLU A 35 6.245 -3.481 -9.424 1.00 0.00 O ATOM 489 CB GLU A 35 7.092 -6.512 -9.873 1.00 0.00 C ATOM 490 CG GLU A 35 5.761 -7.170 -9.551 1.00 0.00 C ATOM 491 CD GLU A 35 4.785 -7.109 -10.710 1.00 0.00 C ATOM 492 OE1 GLU A 35 4.051 -6.104 -10.816 1.00 0.00 O ATOM 493 OE2 GLU A 35 4.756 -8.065 -11.512 1.00 0.00 O ATOM 0 H GLU A 35 8.045 -7.069 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 35 8.381 -4.912 -9.240 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.034 -6.058 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.865 -7.279 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.931 -8.212 -9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.319 -6.682 -8.683 1.00 0.00 H new ATOM 500 N THR A 36 5.558 -4.670 -7.643 1.00 0.00 N ATOM 501 CA THR A 36 4.436 -3.788 -7.349 1.00 0.00 C ATOM 502 C THR A 36 4.813 -2.747 -6.303 1.00 0.00 C ATOM 503 O THR A 36 4.345 -1.608 -6.349 1.00 0.00 O ATOM 504 CB THR A 36 3.214 -4.582 -6.849 1.00 0.00 C ATOM 505 OG1 THR A 36 2.849 -5.578 -7.811 1.00 0.00 O ATOM 506 CG2 THR A 36 2.033 -3.657 -6.597 1.00 0.00 C ATOM 0 H THR A 36 5.652 -5.460 -7.004 1.00 0.00 H new ATOM 0 HA THR A 36 4.178 -3.285 -8.281 1.00 0.00 H new ATOM 0 HB THR A 36 3.483 -5.066 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.985 -5.970 -7.565 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.182 -4.241 -6.245 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.304 -2.918 -5.842 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.765 -3.148 -7.523 1.00 0.00 H new ATOM 514 N ILE A 37 5.663 -3.141 -5.361 1.00 0.00 N ATOM 515 CA ILE A 37 6.105 -2.239 -4.304 1.00 0.00 C ATOM 516 C ILE A 37 7.097 -1.211 -4.838 1.00 0.00 C ATOM 517 O ILE A 37 7.337 -0.181 -4.209 1.00 0.00 O ATOM 518 CB ILE A 37 6.758 -3.011 -3.143 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.558 -2.258 -1.826 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.239 -3.227 -3.416 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.107 -1.971 -1.509 1.00 0.00 C ATOM 0 H ILE A 37 6.060 -4.079 -5.308 1.00 0.00 H new ATOM 0 HA ILE A 37 5.217 -1.726 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 37 6.279 -3.986 -3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.990 -2.842 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.105 -1.316 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.686 -3.774 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.360 -3.800 -4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.734 -2.262 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.041 -1.435 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.675 -1.361 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.558 -2.910 -1.434 1.00 0.00 H new ATOM 533 N ARG A 38 7.668 -1.498 -6.003 1.00 0.00 N ATOM 534 CA ARG A 38 8.633 -0.598 -6.623 1.00 0.00 C ATOM 535 C ARG A 38 7.931 0.429 -7.506 1.00 0.00 C ATOM 536 O ARG A 38 8.362 1.578 -7.603 1.00 0.00 O ATOM 537 CB ARG A 38 9.644 -1.391 -7.452 1.00 0.00 C ATOM 538 CG ARG A 38 10.434 -2.406 -6.641 1.00 0.00 C ATOM 539 CD ARG A 38 11.797 -2.674 -7.259 1.00 0.00 C ATOM 540 NE ARG A 38 12.856 -2.713 -6.253 1.00 0.00 N ATOM 541 CZ ARG A 38 14.146 -2.566 -6.538 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.534 -2.371 -7.791 1.00 0.00 N ATOM 543 NH2 ARG A 38 15.050 -2.613 -5.568 1.00 0.00 N ATOM 0 H ARG A 38 7.479 -2.347 -6.537 1.00 0.00 H new ATOM 0 HA ARG A 38 9.159 -0.069 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.117 -1.909 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.338 -0.696 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.561 -2.040 -5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.873 -3.338 -6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.772 -3.622 -7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.021 -1.899 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 38 12.591 -2.861 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.842 -2.333 -8.539 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.525 -2.259 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.755 -2.762 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.040 -2.500 -5.787 1.00 0.00 H new ATOM 557 N SER A 39 6.846 0.007 -8.147 1.00 0.00 N ATOM 558 CA SER A 39 6.086 0.888 -9.025 1.00 0.00 C ATOM 559 C SER A 39 5.388 1.984 -8.225 1.00 0.00 C ATOM 560 O SER A 39 5.081 3.053 -8.752 1.00 0.00 O ATOM 561 CB SER A 39 5.053 0.085 -9.819 1.00 0.00 C ATOM 562 OG SER A 39 4.523 0.851 -10.887 1.00 0.00 O ATOM 0 H SER A 39 6.474 -0.940 -8.075 1.00 0.00 H new ATOM 0 HA SER A 39 6.784 1.357 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.515 -0.821 -10.211 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.246 -0.230 -9.158 1.00 0.00 H new ATOM 0 HG SER A 39 3.867 0.315 -11.380 1.00 0.00 H new ATOM 568 N ILE A 40 5.141 1.709 -6.948 1.00 0.00 N ATOM 569 CA ILE A 40 4.482 2.671 -6.074 1.00 0.00 C ATOM 570 C ILE A 40 5.445 3.770 -5.640 1.00 0.00 C ATOM 571 O ILE A 40 5.137 4.957 -5.750 1.00 0.00 O ATOM 572 CB ILE A 40 3.903 1.987 -4.821 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.892 0.910 -5.222 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.252 3.017 -3.909 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.557 -0.051 -4.103 1.00 0.00 C ATOM 0 H ILE A 40 5.387 0.828 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 40 3.667 3.112 -6.648 1.00 0.00 H new ATOM 0 HB ILE A 40 4.718 1.510 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.976 1.392 -5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.289 0.347 -6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.847 2.519 -3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.996 3.752 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.446 3.519 -4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.835 -0.786 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.464 -0.561 -3.777 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.130 0.501 -3.265 1.00 0.00 H new ATOM 587 N CYS A 41 6.611 3.367 -5.150 1.00 0.00 N ATOM 588 CA CYS A 41 7.622 4.319 -4.699 1.00 0.00 C ATOM 589 C CYS A 41 7.954 5.320 -5.801 1.00 0.00 C ATOM 590 O CYS A 41 8.206 6.495 -5.532 1.00 0.00 O ATOM 591 CB CYS A 41 8.889 3.581 -4.265 1.00 0.00 C ATOM 592 SG CYS A 41 8.595 2.239 -3.090 1.00 0.00 S ATOM 0 H CYS A 41 6.881 2.388 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 41 7.218 4.865 -3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.381 3.175 -5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.578 4.297 -3.818 1.00 0.00 H new ATOM 0 HG CYS A 41 8.299 1.152 -3.738 1.00 0.00 H new ATOM 598 N LYS A 42 7.954 4.847 -7.043 1.00 0.00 N ATOM 599 CA LYS A 42 8.256 5.700 -8.186 1.00 0.00 C ATOM 600 C LYS A 42 7.026 6.497 -8.610 1.00 0.00 C ATOM 601 O LYS A 42 7.144 7.596 -9.151 1.00 0.00 O ATOM 602 CB LYS A 42 8.758 4.856 -9.360 1.00 0.00 C ATOM 603 CG LYS A 42 7.652 4.125 -10.101 1.00 0.00 C ATOM 604 CD LYS A 42 8.096 3.704 -11.492 1.00 0.00 C ATOM 605 CE LYS A 42 7.931 2.207 -11.700 1.00 0.00 C ATOM 606 NZ LYS A 42 8.427 1.774 -13.036 1.00 0.00 N ATOM 0 H LYS A 42 7.748 3.877 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 42 9.037 6.400 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.288 5.502 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.479 4.127 -8.990 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.352 3.245 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.776 4.769 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.514 4.243 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.140 3.980 -11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.472 1.670 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.879 1.940 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.297 0.747 -13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.894 2.267 -13.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.437 2.005 -13.123 1.00 0.00 H new ATOM 620 N ALA A 43 5.848 5.937 -8.359 1.00 0.00 N ATOM 621 CA ALA A 43 4.597 6.598 -8.710 1.00 0.00 C ATOM 622 C ALA A 43 4.303 7.757 -7.764 1.00 0.00 C ATOM 623 O ALA A 43 3.743 8.775 -8.170 1.00 0.00 O ATOM 624 CB ALA A 43 3.450 5.598 -8.696 1.00 0.00 C ATOM 0 H ALA A 43 5.733 5.027 -7.914 1.00 0.00 H new ATOM 0 HA ALA A 43 4.699 7.003 -9.717 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.522 6.105 -8.960 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.649 4.806 -9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.357 5.165 -7.700 1.00 0.00 H new ATOM 630 N SER A 44 4.685 7.594 -6.502 1.00 0.00 N ATOM 631 CA SER A 44 4.457 8.626 -5.496 1.00 0.00 C ATOM 632 C SER A 44 5.744 9.390 -5.201 1.00 0.00 C ATOM 633 O SER A 44 5.723 10.598 -4.968 1.00 0.00 O ATOM 634 CB SER A 44 3.915 8.002 -4.208 1.00 0.00 C ATOM 635 OG SER A 44 4.620 6.819 -3.879 1.00 0.00 O ATOM 0 H SER A 44 5.153 6.759 -6.151 1.00 0.00 H new ATOM 0 HA SER A 44 3.721 9.326 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.998 8.718 -3.390 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.855 7.776 -4.327 1.00 0.00 H new ATOM 0 HG SER A 44 4.420 6.124 -4.541 1.00 0.00 H new ATOM 641 N GLY A 45 6.865 8.676 -5.214 1.00 0.00 N ATOM 642 CA GLY A 45 8.147 9.302 -4.947 1.00 0.00 C ATOM 643 C GLY A 45 8.651 9.019 -3.546 1.00 0.00 C ATOM 644 O GLY A 45 9.826 9.226 -3.247 1.00 0.00 O ATOM 0 H GLY A 45 6.909 7.675 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.879 8.946 -5.672 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.058 10.379 -5.087 1.00 0.00 H new ATOM 648 N ALA A 46 7.758 8.544 -2.683 1.00 0.00 N ATOM 649 CA ALA A 46 8.118 8.232 -1.305 1.00 0.00 C ATOM 650 C ALA A 46 8.699 6.826 -1.196 1.00 0.00 C ATOM 651 O ALA A 46 8.337 5.932 -1.960 1.00 0.00 O ATOM 652 CB ALA A 46 6.906 8.376 -0.397 1.00 0.00 C ATOM 0 H ALA A 46 6.780 8.367 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 46 8.883 8.940 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.190 8.140 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.535 9.400 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.123 7.691 -0.724 1.00 0.00 H new ATOM 658 N LYS A 47 9.603 6.638 -0.240 1.00 0.00 N ATOM 659 CA LYS A 47 10.235 5.341 -0.029 1.00 0.00 C ATOM 660 C LYS A 47 9.328 4.420 0.780 1.00 0.00 C ATOM 661 O LYS A 47 8.819 4.803 1.834 1.00 0.00 O ATOM 662 CB LYS A 47 11.575 5.515 0.690 1.00 0.00 C ATOM 663 CG LYS A 47 12.076 4.246 1.358 1.00 0.00 C ATOM 664 CD LYS A 47 12.547 3.227 0.335 1.00 0.00 C ATOM 665 CE LYS A 47 12.548 1.819 0.911 1.00 0.00 C ATOM 666 NZ LYS A 47 13.044 0.817 -0.072 1.00 0.00 N ATOM 0 H LYS A 47 9.914 7.368 0.401 1.00 0.00 H new ATOM 0 HA LYS A 47 10.409 4.886 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.321 5.857 -0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.475 6.297 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.895 4.489 2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.280 3.814 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.899 3.263 -0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.551 3.485 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.173 1.792 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.538 1.553 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.029 -0.129 0.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.433 0.824 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.017 1.055 -0.350 1.00 0.00 H new ATOM 680 N ILE A 48 9.132 3.204 0.281 1.00 0.00 N ATOM 681 CA ILE A 48 8.288 2.227 0.960 1.00 0.00 C ATOM 682 C ILE A 48 9.043 0.925 1.206 1.00 0.00 C ATOM 683 O ILE A 48 9.815 0.472 0.360 1.00 0.00 O ATOM 684 CB ILE A 48 7.014 1.924 0.149 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.157 3.183 0.015 1.00 0.00 C ATOM 686 CG2 ILE A 48 6.222 0.804 0.807 1.00 0.00 C ATOM 687 CD1 ILE A 48 5.638 3.415 -1.387 1.00 0.00 C ATOM 0 H ILE A 48 9.546 2.872 -0.590 1.00 0.00 H new ATOM 0 HA ILE A 48 8.004 2.665 1.917 1.00 0.00 H new ATOM 0 HB ILE A 48 7.305 1.598 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.312 3.112 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.745 4.047 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.325 0.601 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.835 -0.096 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.938 1.103 1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.039 4.325 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.478 3.519 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.023 2.569 -1.692 1.00 0.00 H new ATOM 699 N THR A 49 8.814 0.326 2.370 1.00 0.00 N ATOM 700 CA THR A 49 9.471 -0.924 2.729 1.00 0.00 C ATOM 701 C THR A 49 8.545 -1.819 3.546 1.00 0.00 C ATOM 702 O THR A 49 7.523 -1.363 4.061 1.00 0.00 O ATOM 703 CB THR A 49 10.761 -0.672 3.531 1.00 0.00 C ATOM 704 OG1 THR A 49 11.559 -1.860 3.565 1.00 0.00 O ATOM 705 CG2 THR A 49 10.437 -0.232 4.951 1.00 0.00 C ATOM 0 H THR A 49 8.178 0.687 3.081 1.00 0.00 H new ATOM 0 HA THR A 49 9.725 -1.425 1.795 1.00 0.00 H new ATOM 0 HB THR A 49 11.319 0.124 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.378 -1.690 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.363 -0.060 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.856 0.690 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.860 -1.010 5.450 1.00 0.00 H new ATOM 713 N CYS A 50 8.908 -3.090 3.660 1.00 0.00 N ATOM 714 CA CYS A 50 8.109 -4.049 4.415 1.00 0.00 C ATOM 715 C CYS A 50 8.846 -4.501 5.672 1.00 0.00 C ATOM 716 O CYS A 50 10.070 -4.630 5.674 1.00 0.00 O ATOM 717 CB CYS A 50 7.770 -5.260 3.545 1.00 0.00 C ATOM 718 SG CYS A 50 9.191 -6.306 3.150 1.00 0.00 S ATOM 0 H CYS A 50 9.751 -3.482 3.239 1.00 0.00 H new ATOM 0 HA CYS A 50 7.184 -3.557 4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.020 -5.863 4.057 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.319 -4.912 2.616 1.00 0.00 H new ATOM 0 HG CYS A 50 10.157 -6.059 3.984 1.00 0.00 H new ATOM 858 N LEU A 60 0.463 -12.899 11.217 1.00 0.00 N ATOM 859 CA LEU A 60 -0.932 -12.811 10.800 1.00 0.00 C ATOM 860 C LEU A 60 -1.144 -11.634 9.853 1.00 0.00 C ATOM 861 O LEU A 60 -1.891 -11.735 8.880 1.00 0.00 O ATOM 862 CB LEU A 60 -1.842 -12.668 12.021 1.00 0.00 C ATOM 863 CG LEU A 60 -2.427 -13.965 12.580 1.00 0.00 C ATOM 864 CD1 LEU A 60 -1.366 -14.745 13.340 1.00 0.00 C ATOM 865 CD2 LEU A 60 -3.620 -13.670 13.477 1.00 0.00 C ATOM 0 HA LEU A 60 -1.186 -13.730 10.271 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.278 -12.177 12.814 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.666 -12.005 11.759 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.769 -14.576 11.745 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.801 -15.665 13.731 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.543 -14.989 12.668 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.993 -14.141 14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.023 -14.605 13.866 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.304 -13.038 14.307 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.389 -13.155 12.902 1.00 0.00 H new ATOM 877 N SER A 61 -0.479 -10.521 10.143 1.00 0.00 N ATOM 878 CA SER A 61 -0.596 -9.324 9.318 1.00 0.00 C ATOM 879 C SER A 61 0.778 -8.720 9.039 1.00 0.00 C ATOM 880 O SER A 61 1.721 -8.916 9.807 1.00 0.00 O ATOM 881 CB SER A 61 -1.490 -8.291 10.004 1.00 0.00 C ATOM 882 OG SER A 61 -2.810 -8.782 10.163 1.00 0.00 O ATOM 0 H SER A 61 0.146 -10.423 10.943 1.00 0.00 H new ATOM 0 HA SER A 61 -1.048 -9.610 8.368 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.074 -8.036 10.979 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.509 -7.374 9.415 1.00 0.00 H new ATOM 0 HG SER A 61 -3.361 -8.103 10.606 1.00 0.00 H new ATOM 888 N ARG A 62 0.882 -7.986 7.936 1.00 0.00 N ATOM 889 CA ARG A 62 2.140 -7.355 7.555 1.00 0.00 C ATOM 890 C ARG A 62 2.114 -5.861 7.866 1.00 0.00 C ATOM 891 O ARG A 62 1.057 -5.292 8.144 1.00 0.00 O ATOM 892 CB ARG A 62 2.414 -7.572 6.066 1.00 0.00 C ATOM 893 CG ARG A 62 3.651 -8.410 5.789 1.00 0.00 C ATOM 894 CD ARG A 62 3.492 -9.828 6.316 1.00 0.00 C ATOM 895 NE ARG A 62 3.615 -10.823 5.253 1.00 0.00 N ATOM 896 CZ ARG A 62 4.724 -11.008 4.545 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.799 -10.269 4.784 1.00 0.00 N ATOM 898 NH2 ARG A 62 4.759 -11.933 3.595 1.00 0.00 N ATOM 0 H ARG A 62 0.111 -7.814 7.291 1.00 0.00 H new ATOM 0 HA ARG A 62 2.939 -7.816 8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.549 -8.056 5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.527 -6.602 5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.840 -8.438 4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.520 -7.943 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.246 -10.018 7.080 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.519 -9.929 6.797 1.00 0.00 H new ATOM 0 HE ARG A 62 2.806 -11.407 5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.776 -9.556 5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.649 -10.414 4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.934 -12.503 3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.611 -12.074 3.052 1.00 0.00 H new ATOM 912 N LEU A 63 3.283 -5.232 7.818 1.00 0.00 N ATOM 913 CA LEU A 63 3.395 -3.805 8.095 1.00 0.00 C ATOM 914 C LEU A 63 4.355 -3.134 7.118 1.00 0.00 C ATOM 915 O LEU A 63 5.452 -3.636 6.867 1.00 0.00 O ATOM 916 CB LEU A 63 3.871 -3.579 9.530 1.00 0.00 C ATOM 917 CG LEU A 63 3.959 -2.123 9.989 1.00 0.00 C ATOM 918 CD1 LEU A 63 2.603 -1.444 9.875 1.00 0.00 C ATOM 919 CD2 LEU A 63 4.481 -2.043 11.416 1.00 0.00 C ATOM 0 H LEU A 63 4.166 -5.688 7.590 1.00 0.00 H new ATOM 0 HA LEU A 63 2.408 -3.358 7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.198 -4.110 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.856 -4.033 9.640 1.00 0.00 H new ATOM 0 HG LEU A 63 4.660 -1.599 9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.685 -0.409 10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.270 -1.468 8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.880 -1.968 10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.537 -0.999 11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.807 -2.583 12.081 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.474 -2.490 11.466 1.00 0.00 H new ATOM 931 N ILE A 64 3.938 -1.998 6.571 1.00 0.00 N ATOM 932 CA ILE A 64 4.763 -1.257 5.624 1.00 0.00 C ATOM 933 C ILE A 64 5.304 0.023 6.251 1.00 0.00 C ATOM 934 O ILE A 64 4.734 0.549 7.206 1.00 0.00 O ATOM 935 CB ILE A 64 3.974 -0.898 4.351 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.699 -2.155 3.524 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.737 0.128 3.527 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.952 -2.823 3.003 1.00 0.00 C ATOM 0 H ILE A 64 3.033 -1.570 6.767 1.00 0.00 H new ATOM 0 HA ILE A 64 5.596 -1.907 5.354 1.00 0.00 H new ATOM 0 HB ILE A 64 3.019 -0.462 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.145 -2.868 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.060 -1.893 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.167 0.372 2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.887 1.031 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.705 -0.283 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.680 -3.707 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.497 -2.127 2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.583 -3.117 3.842 1.00 0.00 H new ATOM 950 N LYS A 65 6.408 0.520 5.705 1.00 0.00 N ATOM 951 CA LYS A 65 7.028 1.742 6.208 1.00 0.00 C ATOM 952 C LYS A 65 7.202 2.763 5.089 1.00 0.00 C ATOM 953 O LYS A 65 7.944 2.531 4.134 1.00 0.00 O ATOM 954 CB LYS A 65 8.385 1.426 6.842 1.00 0.00 C ATOM 955 CG LYS A 65 8.378 1.490 8.359 1.00 0.00 C ATOM 956 CD LYS A 65 9.751 1.191 8.936 1.00 0.00 C ATOM 957 CE LYS A 65 9.649 0.423 10.246 1.00 0.00 C ATOM 958 NZ LYS A 65 10.989 0.029 10.763 1.00 0.00 N ATOM 0 H LYS A 65 6.893 0.096 4.914 1.00 0.00 H new ATOM 0 HA LYS A 65 6.371 2.169 6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.699 0.430 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.127 2.128 6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.055 2.480 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.654 0.775 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.331 0.612 8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.289 2.125 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.139 1.037 10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.040 -0.469 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.877 -0.492 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.465 -0.578 10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.562 0.881 10.929 1.00 0.00 H new ATOM 972 N ILE A 66 6.516 3.894 5.215 1.00 0.00 N ATOM 973 CA ILE A 66 6.598 4.952 4.215 1.00 0.00 C ATOM 974 C ILE A 66 7.454 6.112 4.710 1.00 0.00 C ATOM 975 O ILE A 66 7.381 6.496 5.878 1.00 0.00 O ATOM 976 CB ILE A 66 5.201 5.483 3.841 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.303 4.335 3.375 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.311 6.548 2.760 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.886 4.425 3.898 1.00 0.00 C ATOM 0 H ILE A 66 5.898 4.101 5.999 1.00 0.00 H new ATOM 0 HA ILE A 66 7.060 4.514 3.330 1.00 0.00 H new ATOM 0 HB ILE A 66 4.752 5.935 4.725 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.279 4.322 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.740 3.389 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.316 6.913 2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.919 7.376 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.777 6.119 1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.307 3.579 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.899 4.407 4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.430 5.354 3.556 1.00 0.00 H new ATOM 991 N SER A 67 8.265 6.667 3.815 1.00 0.00 N ATOM 992 CA SER A 67 9.137 7.783 4.162 1.00 0.00 C ATOM 993 C SER A 67 9.218 8.787 3.015 1.00 0.00 C ATOM 994 O SER A 67 9.049 8.429 1.851 1.00 0.00 O ATOM 995 CB SER A 67 10.537 7.275 4.510 1.00 0.00 C ATOM 996 OG SER A 67 10.936 6.236 3.632 1.00 0.00 O ATOM 0 H SER A 67 8.336 6.362 2.844 1.00 0.00 H new ATOM 0 HA SER A 67 8.714 8.285 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.250 8.097 4.453 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.550 6.912 5.538 1.00 0.00 H new ATOM 0 HG SER A 67 11.835 5.930 3.875 1.00 0.00 H new ATOM 1002 N GLY A 68 9.477 10.046 3.356 1.00 0.00 N ATOM 1003 CA GLY A 68 9.576 11.082 2.344 1.00 0.00 C ATOM 1004 C GLY A 68 8.956 12.390 2.793 1.00 0.00 C ATOM 1005 O GLY A 68 8.715 12.596 3.983 1.00 0.00 O ATOM 0 H GLY A 68 9.620 10.367 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.625 11.246 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.083 10.744 1.432 1.00 0.00 H new ATOM 1009 N THR A 69 8.698 13.280 1.839 1.00 0.00 N ATOM 1010 CA THR A 69 8.105 14.575 2.142 1.00 0.00 C ATOM 1011 C THR A 69 6.588 14.476 2.244 1.00 0.00 C ATOM 1012 O THR A 69 5.963 13.668 1.557 1.00 0.00 O ATOM 1013 CB THR A 69 8.469 15.623 1.072 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.047 15.172 -0.219 1.00 0.00 O ATOM 1015 CG2 THR A 69 9.967 15.885 1.059 1.00 0.00 C ATOM 0 H THR A 69 8.891 13.126 0.849 1.00 0.00 H new ATOM 0 HA THR A 69 8.510 14.891 3.103 1.00 0.00 H new ATOM 0 HB THR A 69 7.956 16.553 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.280 15.844 -0.893 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.200 16.628 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.280 16.257 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.496 14.959 0.837 1.00 0.00 H new ATOM 1023 N GLN A 70 6.002 15.301 3.104 1.00 0.00 N ATOM 1024 CA GLN A 70 4.556 15.305 3.295 1.00 0.00 C ATOM 1025 C GLN A 70 3.831 15.118 1.965 1.00 0.00 C ATOM 1026 O GLN A 70 2.698 14.637 1.926 1.00 0.00 O ATOM 1027 CB GLN A 70 4.110 16.613 3.951 1.00 0.00 C ATOM 1028 CG GLN A 70 2.784 16.502 4.688 1.00 0.00 C ATOM 1029 CD GLN A 70 2.932 15.885 6.066 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.922 16.117 6.759 1.00 0.00 O ATOM 1031 NE2 GLN A 70 1.944 15.095 6.468 1.00 0.00 N ATOM 0 H GLN A 70 6.505 15.976 3.680 1.00 0.00 H new ATOM 0 HA GLN A 70 4.299 14.472 3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.879 16.940 4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.027 17.384 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.342 17.494 4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.093 15.901 4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.142 14.931 5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.987 14.652 7.386 1.00 0.00 H new ATOM 1040 N LYS A 71 4.491 15.501 0.878 1.00 0.00 N ATOM 1041 CA LYS A 71 3.911 15.375 -0.454 1.00 0.00 C ATOM 1042 C LYS A 71 3.828 13.910 -0.874 1.00 0.00 C ATOM 1043 O LYS A 71 2.777 13.440 -1.306 1.00 0.00 O ATOM 1044 CB LYS A 71 4.741 16.162 -1.471 1.00 0.00 C ATOM 1045 CG LYS A 71 4.526 17.664 -1.399 1.00 0.00 C ATOM 1046 CD LYS A 71 3.048 18.013 -1.354 1.00 0.00 C ATOM 1047 CE LYS A 71 2.814 19.484 -1.663 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.366 19.834 -1.634 1.00 0.00 N ATOM 0 H LYS A 71 5.429 15.902 0.893 1.00 0.00 H new ATOM 0 HA LYS A 71 2.901 15.785 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.797 15.946 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.494 15.816 -2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.022 18.062 -0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.987 18.141 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.506 17.398 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.647 17.779 -0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.350 20.097 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.225 19.719 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.249 20.845 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.858 19.268 -2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.979 19.634 -0.689 1.00 0.00 H new ATOM 1062 N GLU A 72 4.942 13.198 -0.743 1.00 0.00 N ATOM 1063 CA GLU A 72 4.993 11.787 -1.109 1.00 0.00 C ATOM 1064 C GLU A 72 4.345 10.922 -0.032 1.00 0.00 C ATOM 1065 O GLU A 72 3.331 10.268 -0.272 1.00 0.00 O ATOM 1066 CB GLU A 72 6.441 11.346 -1.330 1.00 0.00 C ATOM 1067 CG GLU A 72 7.249 12.312 -2.181 1.00 0.00 C ATOM 1068 CD GLU A 72 6.659 12.505 -3.564 1.00 0.00 C ATOM 1069 OE1 GLU A 72 5.438 12.751 -3.659 1.00 0.00 O ATOM 1070 OE2 GLU A 72 7.417 12.408 -4.551 1.00 0.00 O ATOM 0 H GLU A 72 5.821 13.574 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 72 4.436 11.659 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.929 11.232 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.445 10.365 -1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.304 13.276 -1.676 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.270 11.942 -2.274 1.00 0.00 H new ATOM 1077 N VAL A 73 4.940 10.924 1.157 1.00 0.00 N ATOM 1078 CA VAL A 73 4.421 10.140 2.272 1.00 0.00 C ATOM 1079 C VAL A 73 2.902 10.233 2.350 1.00 0.00 C ATOM 1080 O VAL A 73 2.239 9.328 2.857 1.00 0.00 O ATOM 1081 CB VAL A 73 5.022 10.605 3.612 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.379 9.862 4.773 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.532 10.411 3.615 1.00 0.00 C ATOM 0 H VAL A 73 5.781 11.459 1.373 1.00 0.00 H new ATOM 0 HA VAL A 73 4.709 9.104 2.092 1.00 0.00 H new ATOM 0 HB VAL A 73 4.815 11.668 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.817 10.204 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.307 10.057 4.780 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.552 8.792 4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.940 10.745 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.764 9.356 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.975 10.993 2.807 1.00 0.00 H new ATOM 1093 N ALA A 74 2.355 11.333 1.843 1.00 0.00 N ATOM 1094 CA ALA A 74 0.913 11.543 1.853 1.00 0.00 C ATOM 1095 C ALA A 74 0.261 10.936 0.615 1.00 0.00 C ATOM 1096 O ALA A 74 -0.828 10.369 0.691 1.00 0.00 O ATOM 1097 CB ALA A 74 0.597 13.029 1.943 1.00 0.00 C ATOM 0 H ALA A 74 2.889 12.092 1.420 1.00 0.00 H new ATOM 0 HA ALA A 74 0.504 11.041 2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.484 13.171 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.022 13.437 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.026 13.545 1.084 1.00 0.00 H new ATOM 1103 N ALA A 75 0.934 11.060 -0.524 1.00 0.00 N ATOM 1104 CA ALA A 75 0.421 10.521 -1.777 1.00 0.00 C ATOM 1105 C ALA A 75 0.622 9.012 -1.850 1.00 0.00 C ATOM 1106 O ALA A 75 -0.331 8.258 -2.045 1.00 0.00 O ATOM 1107 CB ALA A 75 1.096 11.203 -2.959 1.00 0.00 C ATOM 0 H ALA A 75 1.836 11.529 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.650 10.720 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.704 10.791 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.896 12.274 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.172 11.033 -2.912 1.00 0.00 H new ATOM 1113 N ALA A 76 1.868 8.577 -1.691 1.00 0.00 N ATOM 1114 CA ALA A 76 2.193 7.157 -1.737 1.00 0.00 C ATOM 1115 C ALA A 76 1.233 6.346 -0.872 1.00 0.00 C ATOM 1116 O ALA A 76 0.827 5.244 -1.243 1.00 0.00 O ATOM 1117 CB ALA A 76 3.629 6.929 -1.291 1.00 0.00 C ATOM 0 H ALA A 76 2.669 9.188 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 76 2.087 6.819 -2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.858 5.864 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.306 7.470 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.754 7.289 -0.270 1.00 0.00 H new ATOM 1123 N LYS A 77 0.874 6.898 0.282 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.037 6.227 1.200 1.00 0.00 C ATOM 1125 C LYS A 77 -1.340 5.855 0.499 1.00 0.00 C ATOM 1126 O LYS A 77 -1.962 4.841 0.819 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.332 7.123 2.405 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.727 6.354 3.655 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.357 7.264 4.694 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.360 7.648 5.777 1.00 0.00 C ATOM 1131 NZ LYS A 77 -0.162 9.122 5.852 1.00 0.00 N ATOM 0 H LYS A 77 1.201 7.809 0.603 1.00 0.00 H new ATOM 0 HA LYS A 77 0.444 5.312 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.550 7.726 2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.134 7.814 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.428 5.563 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.153 5.871 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.734 8.165 4.210 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.213 6.763 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.711 7.279 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.596 7.163 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.524 9.342 6.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.197 9.471 4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.069 9.584 6.066 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.747 6.681 -0.459 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.975 6.437 -1.207 1.00 0.00 C ATOM 1147 C HIS A 78 -2.787 5.300 -2.206 1.00 0.00 C ATOM 1148 O HIS A 78 -3.605 4.382 -2.279 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.411 7.707 -1.940 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.811 7.642 -2.468 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.852 8.374 -1.937 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.340 6.928 -3.489 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.960 8.111 -2.606 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.676 7.237 -3.555 1.00 0.00 N ATOM 0 H HIS A 78 -1.245 7.525 -0.736 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.751 6.149 -0.498 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.326 8.556 -1.261 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.727 7.892 -2.768 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.809 6.242 -4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.933 8.538 -2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.341 6.854 -4.227 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.704 5.366 -2.973 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.408 4.342 -3.968 1.00 0.00 C ATOM 1164 C LEU A 79 -1.179 2.987 -3.304 1.00 0.00 C ATOM 1165 O LEU A 79 -1.464 1.942 -3.890 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.176 4.736 -4.785 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.124 6.188 -5.261 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.204 6.479 -5.943 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.283 6.483 -6.201 1.00 0.00 C ATOM 0 H LEU A 79 -1.017 6.118 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.267 4.260 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.712 4.539 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.120 4.086 -5.658 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.213 6.838 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.223 7.517 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.019 6.308 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.323 5.821 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.230 7.521 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.225 5.825 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.226 6.315 -5.680 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.666 3.014 -2.080 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.404 1.788 -1.335 1.00 0.00 C ATOM 1183 C ILE A 80 -1.701 1.071 -0.981 1.00 0.00 C ATOM 1184 O ILE A 80 -1.807 -0.148 -1.122 1.00 0.00 O ATOM 1185 CB ILE A 80 0.382 2.074 -0.041 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.848 2.366 -0.362 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.268 0.897 0.917 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.455 3.443 0.510 1.00 0.00 C ATOM 0 H ILE A 80 -0.423 3.871 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 80 0.196 1.148 -1.982 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.046 2.953 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.426 1.449 -0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.930 2.667 -1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.828 1.113 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.780 0.731 1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.674 0.003 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.496 3.597 0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.901 4.373 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.405 3.136 1.555 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.686 1.834 -0.524 1.00 0.00 N ATOM 1201 CA LEU A 81 -3.981 1.271 -0.152 1.00 0.00 C ATOM 1202 C LEU A 81 -4.732 0.773 -1.381 1.00 0.00 C ATOM 1203 O LEU A 81 -5.432 -0.237 -1.325 1.00 0.00 O ATOM 1204 CB LEU A 81 -4.820 2.316 0.585 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.713 2.311 2.110 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -4.875 3.718 2.662 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.751 1.376 2.715 1.00 0.00 C ATOM 0 H LEU A 81 -2.614 2.844 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.804 0.423 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.532 3.303 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.866 2.170 0.314 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.722 1.948 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.796 3.694 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.094 4.360 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.852 4.110 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.660 1.385 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.750 1.709 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.588 0.363 2.346 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.580 1.489 -2.491 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.244 1.118 -3.736 1.00 0.00 C ATOM 1221 C GLU A 82 -5.136 -0.385 -3.983 1.00 0.00 C ATOM 1222 O GLU A 82 -6.051 -1.003 -4.527 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.636 1.884 -4.913 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.281 3.238 -5.155 1.00 0.00 C ATOM 1225 CD GLU A 82 -6.793 3.192 -5.049 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -7.446 2.810 -6.043 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -7.322 3.537 -3.972 1.00 0.00 O ATOM 0 H GLU A 82 -4.004 2.328 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.298 1.380 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.570 2.025 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.729 1.280 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.892 3.956 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.001 3.598 -6.145 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.011 -0.965 -3.580 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.781 -2.394 -3.756 1.00 0.00 C ATOM 1236 C LYS A 83 -4.514 -3.198 -2.687 1.00 0.00 C ATOM 1237 O LYS A 83 -5.008 -4.295 -2.951 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.283 -2.701 -3.703 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.570 -2.484 -5.026 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.334 -1.007 -5.296 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.734 -0.781 -6.676 1.00 0.00 C ATOM 1242 NZ LYS A 83 -1.747 -0.944 -7.755 1.00 0.00 N ATOM 0 H LYS A 83 -3.244 -0.467 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.170 -2.682 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.819 -2.073 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.144 -3.736 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.616 -3.010 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.162 -2.913 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.277 -0.466 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.667 -0.599 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.307 0.221 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.083 -1.484 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.311 -0.732 -8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.099 -1.923 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.539 -0.291 -7.589 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.583 -2.646 -1.481 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.258 -3.311 -0.373 1.00 0.00 C ATOM 1258 C VAL A 84 -6.736 -3.525 -0.679 1.00 0.00 C ATOM 1259 O VAL A 84 -7.281 -4.601 -0.437 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.127 -2.503 0.931 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.088 -3.031 1.986 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.693 -2.539 1.439 1.00 0.00 C ATOM 0 H VAL A 84 -4.180 -1.739 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.773 -4.278 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.388 -1.466 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.981 -2.448 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.111 -2.948 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.861 -4.077 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.619 -1.963 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.401 -3.571 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.030 -2.109 0.688 1.00 0.00 H new ATOM 1272 N SER A 85 -7.380 -2.492 -1.213 1.00 0.00 N ATOM 1273 CA SER A 85 -8.797 -2.565 -1.549 1.00 0.00 C ATOM 1274 C SER A 85 -9.029 -3.517 -2.720 1.00 0.00 C ATOM 1275 O SER A 85 -10.102 -4.102 -2.853 1.00 0.00 O ATOM 1276 CB SER A 85 -9.333 -1.174 -1.894 1.00 0.00 C ATOM 1277 OG SER A 85 -10.538 -1.261 -2.635 1.00 0.00 O ATOM 0 H SER A 85 -6.943 -1.595 -1.422 1.00 0.00 H new ATOM 0 HA SER A 85 -9.332 -2.948 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.506 -0.610 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.587 -0.626 -2.470 1.00 0.00 H new ATOM 0 HG SER A 85 -10.861 -0.359 -2.842 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.013 -3.664 -3.565 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.107 -4.543 -4.725 1.00 0.00 C ATOM 1285 C GLU A 86 -8.316 -5.992 -4.293 1.00 0.00 C ATOM 1286 O GLU A 86 -9.344 -6.598 -4.592 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.844 -4.431 -5.581 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.897 -3.304 -6.599 1.00 0.00 C ATOM 1289 CD GLU A 86 -5.762 -3.372 -7.603 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -5.506 -4.472 -8.136 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.132 -2.325 -7.856 1.00 0.00 O ATOM 0 H GLU A 86 -7.117 -3.187 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.967 -4.231 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.985 -4.279 -4.928 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.684 -5.374 -6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.849 -3.342 -7.129 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.860 -2.347 -6.079 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.332 -6.540 -3.589 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.407 -7.917 -3.115 1.00 0.00 C ATOM 1300 C ASP A 87 -8.563 -8.093 -2.136 1.00 0.00 C ATOM 1301 O ASP A 87 -9.389 -8.992 -2.292 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.091 -8.322 -2.448 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.826 -9.812 -2.545 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.522 -10.584 -1.853 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.924 -10.205 -3.313 1.00 0.00 O ATOM 0 H ASP A 87 -6.473 -6.052 -3.334 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.583 -8.562 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.269 -7.779 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.113 -8.028 -1.399 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.613 -7.230 -1.127 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.669 -7.293 -0.121 1.00 0.00 C ATOM 1312 C GLU A 88 -11.010 -7.636 -0.761 1.00 0.00 C ATOM 1313 O GLU A 88 -11.780 -8.430 -0.223 1.00 0.00 O ATOM 1314 CB GLU A 88 -9.772 -5.960 0.625 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.063 -5.802 1.411 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.079 -6.631 2.679 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.150 -6.476 3.500 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.019 -7.435 2.852 1.00 0.00 O ATOM 0 H GLU A 88 -7.937 -6.480 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.414 -8.080 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.927 -5.869 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.691 -5.144 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.202 -4.752 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.905 -6.091 0.782 1.00 0.00 H new