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= 0.0124 USER MOD Single : A 18 GLN :FLIP amide:sc= -3.16! C(o=-6.3!,f=-3.2!) USER MOD Single : A 20 SER OG : rot -30:sc= 0.983 USER MOD Single : A 23 GLN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0795 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.678 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 3:sc= 0.0427 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -72:sc= -1.29! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 17:sc= 0.338 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= -0.92 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.017) 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 :FLIP no HD1:sc=-0.00788 F(o=-0.79,f=-0.0079) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 10.663 19.167 4.182 1.00 0.00 N ATOM 148 CA THR A 13 10.935 18.374 5.373 1.00 0.00 C ATOM 149 C THR A 13 10.492 16.927 5.184 1.00 0.00 C ATOM 150 O THR A 13 9.382 16.646 4.733 1.00 0.00 O ATOM 151 CB THR A 13 10.226 18.957 6.611 1.00 0.00 C ATOM 152 OG1 THR A 13 10.763 20.249 6.919 1.00 0.00 O ATOM 153 CG2 THR A 13 10.388 18.036 7.810 1.00 0.00 C ATOM 0 HA THR A 13 12.013 18.404 5.532 1.00 0.00 H new ATOM 0 HB THR A 13 9.164 19.050 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.986 20.717 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.880 18.468 8.672 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.953 17.063 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.448 17.916 8.036 1.00 0.00 H new ATOM 161 N PRO A 14 11.380 15.985 5.535 1.00 0.00 N ATOM 162 CA PRO A 14 11.103 14.550 5.414 1.00 0.00 C ATOM 163 C PRO A 14 10.055 14.076 6.415 1.00 0.00 C ATOM 164 O PRO A 14 9.777 14.752 7.404 1.00 0.00 O ATOM 165 CB PRO A 14 12.457 13.901 5.708 1.00 0.00 C ATOM 166 CG PRO A 14 13.178 14.895 6.552 1.00 0.00 C ATOM 167 CD PRO A 14 12.723 16.248 6.080 1.00 0.00 C ATOM 0 HA PRO A 14 10.697 14.294 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.336 12.952 6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.004 13.692 4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.946 14.752 7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.257 14.787 6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.691 16.969 6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.392 16.655 5.322 1.00 0.00 H new ATOM 175 N VAL A 15 9.478 12.908 6.151 1.00 0.00 N ATOM 176 CA VAL A 15 8.462 12.342 7.030 1.00 0.00 C ATOM 177 C VAL A 15 8.533 10.819 7.042 1.00 0.00 C ATOM 178 O VAL A 15 8.935 10.198 6.059 1.00 0.00 O ATOM 179 CB VAL A 15 7.047 12.775 6.604 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.155 12.962 7.823 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.107 14.051 5.777 1.00 0.00 C ATOM 0 H VAL A 15 9.697 12.336 5.336 1.00 0.00 H new ATOM 0 HA VAL A 15 8.664 12.721 8.032 1.00 0.00 H new ATOM 0 HB VAL A 15 6.616 11.988 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.159 13.268 7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.087 12.022 8.371 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.579 13.730 8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.098 14.343 5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.558 14.847 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.708 13.878 4.884 1.00 0.00 H new ATOM 191 N PHE A 16 8.138 10.223 8.163 1.00 0.00 N ATOM 192 CA PHE A 16 8.157 8.772 8.305 1.00 0.00 C ATOM 193 C PHE A 16 6.835 8.264 8.872 1.00 0.00 C ATOM 194 O PHE A 16 6.452 8.612 9.988 1.00 0.00 O ATOM 195 CB PHE A 16 9.312 8.342 9.212 1.00 0.00 C ATOM 196 CG PHE A 16 10.136 7.222 8.643 1.00 0.00 C ATOM 197 CD1 PHE A 16 9.540 6.025 8.274 1.00 0.00 C ATOM 198 CD2 PHE A 16 11.503 7.364 8.477 1.00 0.00 C ATOM 199 CE1 PHE A 16 10.296 4.993 7.752 1.00 0.00 C ATOM 200 CE2 PHE A 16 12.264 6.335 7.954 1.00 0.00 C ATOM 201 CZ PHE A 16 11.659 5.148 7.591 1.00 0.00 C ATOM 0 H PHE A 16 7.801 10.723 8.986 1.00 0.00 H new ATOM 0 HA PHE A 16 8.299 8.337 7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.958 9.200 9.396 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.910 8.033 10.177 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.474 5.898 8.396 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.981 8.290 8.760 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.821 4.065 7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.330 6.459 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.251 4.342 7.182 1.00 0.00 H new ATOM 211 N GLU A 17 6.143 7.438 8.093 1.00 0.00 N ATOM 212 CA GLU A 17 4.862 6.882 8.516 1.00 0.00 C ATOM 213 C GLU A 17 4.855 5.363 8.373 1.00 0.00 C ATOM 214 O GLU A 17 5.581 4.804 7.552 1.00 0.00 O ATOM 215 CB GLU A 17 3.722 7.489 7.697 1.00 0.00 C ATOM 216 CG GLU A 17 2.489 7.820 8.521 1.00 0.00 C ATOM 217 CD GLU A 17 2.649 9.097 9.324 1.00 0.00 C ATOM 218 OE1 GLU A 17 3.702 9.257 9.978 1.00 0.00 O ATOM 219 OE2 GLU A 17 1.723 9.934 9.299 1.00 0.00 O ATOM 0 H GLU A 17 6.447 7.139 7.166 1.00 0.00 H new ATOM 0 HA GLU A 17 4.716 7.131 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.079 8.397 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.444 6.793 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.629 7.917 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.277 6.993 9.199 1.00 0.00 H new ATOM 226 N GLN A 18 4.027 4.704 9.177 1.00 0.00 N ATOM 227 CA GLN A 18 3.926 3.249 9.141 1.00 0.00 C ATOM 228 C GLN A 18 2.493 2.811 8.861 1.00 0.00 C ATOM 229 O GLN A 18 1.542 3.370 9.410 1.00 0.00 O ATOM 230 CB GLN A 18 4.406 2.650 10.464 1.00 0.00 C ATOM 231 CG GLN A 18 5.822 2.102 10.405 1.00 0.00 C ATOM 232 CD GLN A 18 5.985 0.818 11.196 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.328 -0.263 10.505 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 5.803 0.798 12.413 1.00 0.00 N flip ATOM 0 H GLN A 18 3.417 5.153 9.860 1.00 0.00 H new ATOM 0 HA GLN A 18 4.562 2.885 8.334 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.353 3.414 11.240 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.727 1.849 10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.094 1.921 9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.514 2.851 10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.540 1.653 12.904 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.915 -0.073 12.931 1.00 0.00 H new ATOM 243 N LEU A 19 2.343 1.807 8.003 1.00 0.00 N ATOM 244 CA LEU A 19 1.025 1.293 7.649 1.00 0.00 C ATOM 245 C LEU A 19 0.976 -0.225 7.786 1.00 0.00 C ATOM 246 O LEU A 19 1.734 -0.941 7.130 1.00 0.00 O ATOM 247 CB LEU A 19 0.664 1.700 6.218 1.00 0.00 C ATOM 248 CG LEU A 19 -0.569 2.591 6.064 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.371 3.907 6.801 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.864 2.842 4.593 1.00 0.00 C ATOM 0 H LEU A 19 3.118 1.333 7.540 1.00 0.00 H new ATOM 0 HA LEU A 19 0.298 1.724 8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.518 2.218 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.508 0.794 5.632 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.423 2.076 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.258 4.529 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.207 3.710 7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.495 4.427 6.391 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.745 3.478 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.010 3.336 4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.049 1.892 4.092 1.00 0.00 H new ATOM 262 N SER A 20 0.081 -0.709 8.641 1.00 0.00 N ATOM 263 CA SER A 20 -0.064 -2.143 8.865 1.00 0.00 C ATOM 264 C SER A 20 -1.091 -2.741 7.909 1.00 0.00 C ATOM 265 O SER A 20 -2.274 -2.404 7.960 1.00 0.00 O ATOM 266 CB SER A 20 -0.479 -2.414 10.312 1.00 0.00 C ATOM 267 OG SER A 20 -1.880 -2.598 10.415 1.00 0.00 O ATOM 0 H SER A 20 -0.554 -0.130 9.190 1.00 0.00 H new ATOM 0 HA SER A 20 0.900 -2.615 8.676 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.035 -3.301 10.681 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.171 -1.581 10.944 1.00 0.00 H new ATOM 0 HG SER A 20 -2.331 -2.075 9.720 1.00 0.00 H new ATOM 273 N VAL A 21 -0.630 -3.631 7.037 1.00 0.00 N ATOM 274 CA VAL A 21 -1.507 -4.278 6.069 1.00 0.00 C ATOM 275 C VAL A 21 -1.597 -5.778 6.325 1.00 0.00 C ATOM 276 O VAL A 21 -0.669 -6.401 6.841 1.00 0.00 O ATOM 277 CB VAL A 21 -1.022 -4.042 4.626 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.636 -2.586 4.424 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.145 -4.963 4.300 1.00 0.00 C ATOM 0 H VAL A 21 0.346 -3.921 6.981 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.494 -3.832 6.190 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.840 -4.273 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.296 -2.439 3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.501 -1.951 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.166 -2.323 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.475 -4.783 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.968 -4.765 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.171 -6.001 4.402 1.00 0.00 H new ATOM 289 N PRO A 22 -2.740 -6.375 5.955 1.00 0.00 N ATOM 290 CA PRO A 22 -2.978 -7.810 6.135 1.00 0.00 C ATOM 291 C PRO A 22 -2.121 -8.660 5.204 1.00 0.00 C ATOM 292 O PRO A 22 -1.740 -8.218 4.120 1.00 0.00 O ATOM 293 CB PRO A 22 -4.462 -7.970 5.789 1.00 0.00 C ATOM 294 CG PRO A 22 -4.763 -6.829 4.879 1.00 0.00 C ATOM 295 CD PRO A 22 -3.888 -5.693 5.334 1.00 0.00 C ATOM 0 HA PRO A 22 -2.722 -8.142 7.141 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.654 -8.926 5.302 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.083 -7.937 6.684 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.554 -7.091 3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.817 -6.555 4.932 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.579 -5.065 4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.404 -5.047 6.044 1.00 0.00 H new ATOM 303 N GLN A 23 -1.820 -9.881 5.635 1.00 0.00 N ATOM 304 CA GLN A 23 -1.006 -10.793 4.839 1.00 0.00 C ATOM 305 C GLN A 23 -1.816 -11.383 3.690 1.00 0.00 C ATOM 306 O GLN A 23 -1.260 -11.993 2.776 1.00 0.00 O ATOM 307 CB GLN A 23 -0.453 -11.915 5.718 1.00 0.00 C ATOM 308 CG GLN A 23 -1.383 -13.112 5.834 1.00 0.00 C ATOM 309 CD GLN A 23 -0.807 -14.217 6.697 1.00 0.00 C ATOM 310 OE1 GLN A 23 -1.491 -14.767 7.561 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.458 -14.549 6.467 1.00 0.00 N ATOM 0 H GLN A 23 -2.127 -10.261 6.530 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.175 -10.227 4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.503 -12.246 5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.256 -11.521 6.715 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.336 -12.788 6.253 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.590 -13.504 4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.988 -14.067 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.900 -15.286 7.016 1.00 0.00 H new ATOM 320 N ARG A 24 -3.131 -11.197 3.742 1.00 0.00 N ATOM 321 CA ARG A 24 -4.017 -11.714 2.706 1.00 0.00 C ATOM 322 C ARG A 24 -4.030 -10.789 1.493 1.00 0.00 C ATOM 323 O ARG A 24 -4.315 -11.220 0.374 1.00 0.00 O ATOM 324 CB ARG A 24 -5.437 -11.874 3.253 1.00 0.00 C ATOM 325 CG ARG A 24 -5.955 -10.642 3.975 1.00 0.00 C ATOM 326 CD ARG A 24 -7.457 -10.483 3.799 1.00 0.00 C ATOM 327 NE ARG A 24 -7.879 -9.090 3.919 1.00 0.00 N ATOM 328 CZ ARG A 24 -9.130 -8.683 3.736 1.00 0.00 C ATOM 329 NH1 ARG A 24 -10.077 -9.557 3.429 1.00 0.00 N ATOM 330 NH2 ARG A 24 -9.435 -7.398 3.862 1.00 0.00 N ATOM 0 H ARG A 24 -3.606 -10.692 4.490 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.642 -12.689 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.110 -12.111 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.460 -12.722 3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.718 -10.714 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.447 -9.756 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.750 -10.867 2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.975 -11.084 4.546 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.175 -8.392 4.156 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.846 -10.546 3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.037 -9.241 3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.709 -6.722 4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.396 -7.086 3.721 1.00 0.00 H new ATOM 344 N SER A 25 -3.722 -9.516 1.720 1.00 0.00 N ATOM 345 CA SER A 25 -3.703 -8.530 0.647 1.00 0.00 C ATOM 346 C SER A 25 -2.274 -8.100 0.330 1.00 0.00 C ATOM 347 O SER A 25 -2.013 -7.484 -0.704 1.00 0.00 O ATOM 348 CB SER A 25 -4.542 -7.310 1.032 1.00 0.00 C ATOM 349 OG SER A 25 -5.709 -7.695 1.736 1.00 0.00 O ATOM 0 H SER A 25 -3.482 -9.143 2.639 1.00 0.00 H new ATOM 0 HA SER A 25 -4.131 -8.990 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.947 -6.636 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.821 -6.758 0.134 1.00 0.00 H new ATOM 0 HG SER A 25 -6.227 -6.897 1.972 1.00 0.00 H new ATOM 355 N VAL A 26 -1.351 -8.428 1.228 1.00 0.00 N ATOM 356 CA VAL A 26 0.052 -8.077 1.045 1.00 0.00 C ATOM 357 C VAL A 26 0.591 -8.632 -0.269 1.00 0.00 C ATOM 358 O VAL A 26 1.592 -8.147 -0.796 1.00 0.00 O ATOM 359 CB VAL A 26 0.919 -8.605 2.204 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.226 -10.083 2.012 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.201 -7.797 2.321 1.00 0.00 C ATOM 0 H VAL A 26 -1.550 -8.936 2.090 1.00 0.00 H new ATOM 0 HA VAL A 26 0.105 -6.988 1.027 1.00 0.00 H new ATOM 0 HB VAL A 26 0.360 -8.493 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.839 -10.438 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.294 -10.647 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.765 -10.224 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.801 -8.184 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.766 -7.875 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.956 -6.752 2.510 1.00 0.00 H new ATOM 371 N GLY A 27 -0.083 -9.651 -0.796 1.00 0.00 N ATOM 372 CA GLY A 27 0.342 -10.253 -2.045 1.00 0.00 C ATOM 373 C GLY A 27 -0.039 -9.418 -3.252 1.00 0.00 C ATOM 374 O GLY A 27 0.531 -9.578 -4.331 1.00 0.00 O ATOM 0 H GLY A 27 -0.915 -10.069 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.423 -10.390 -2.029 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.104 -11.243 -2.137 1.00 0.00 H new ATOM 378 N ARG A 28 -1.007 -8.526 -3.069 1.00 0.00 N ATOM 379 CA ARG A 28 -1.466 -7.664 -4.153 1.00 0.00 C ATOM 380 C ARG A 28 -0.795 -6.296 -4.080 1.00 0.00 C ATOM 381 O ARG A 28 -0.611 -5.630 -5.100 1.00 0.00 O ATOM 382 CB ARG A 28 -2.986 -7.504 -4.095 1.00 0.00 C ATOM 383 CG ARG A 28 -3.581 -6.884 -5.349 1.00 0.00 C ATOM 384 CD ARG A 28 -4.247 -7.932 -6.227 1.00 0.00 C ATOM 385 NE ARG A 28 -3.395 -8.334 -7.343 1.00 0.00 N ATOM 386 CZ ARG A 28 -2.461 -9.273 -7.252 1.00 0.00 C ATOM 387 NH1 ARG A 28 -2.258 -9.903 -6.104 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.725 -9.583 -8.312 1.00 0.00 N ATOM 0 H ARG A 28 -1.488 -8.381 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.193 -8.132 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.440 -8.482 -3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.245 -6.885 -3.236 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.311 -6.125 -5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.797 -6.380 -5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.492 -8.807 -5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.187 -7.537 -6.613 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.525 -7.868 -8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.820 -9.667 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.539 -10.624 -6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.877 -9.100 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.008 -10.305 -8.241 1.00 0.00 H new ATOM 402 N ILE A 29 -0.434 -5.884 -2.870 1.00 0.00 N ATOM 403 CA ILE A 29 0.217 -4.594 -2.665 1.00 0.00 C ATOM 404 C ILE A 29 1.695 -4.660 -3.036 1.00 0.00 C ATOM 405 O ILE A 29 2.175 -3.875 -3.853 1.00 0.00 O ATOM 406 CB ILE A 29 0.083 -4.123 -1.206 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.388 -4.090 -0.789 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.720 -2.752 -1.032 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.611 -4.431 0.668 1.00 0.00 C ATOM 0 H ILE A 29 -0.581 -6.423 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.285 -3.878 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 29 0.606 -4.830 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.791 -3.097 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.948 -4.791 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.617 -2.432 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.777 -2.806 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.222 -2.034 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.677 -4.388 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.238 -5.436 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.079 -3.715 1.295 1.00 0.00 H new ATOM 421 N ILE A 30 2.409 -5.601 -2.428 1.00 0.00 N ATOM 422 CA ILE A 30 3.831 -5.771 -2.696 1.00 0.00 C ATOM 423 C ILE A 30 4.065 -6.331 -4.096 1.00 0.00 C ATOM 424 O ILE A 30 5.017 -5.953 -4.777 1.00 0.00 O ATOM 425 CB ILE A 30 4.491 -6.705 -1.665 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.616 -6.001 -0.313 1.00 0.00 C ATOM 427 CG2 ILE A 30 5.856 -7.160 -2.159 1.00 0.00 C ATOM 428 CD1 ILE A 30 5.540 -6.708 0.655 1.00 0.00 C ATOM 0 H ILE A 30 2.026 -6.257 -1.747 1.00 0.00 H new ATOM 0 HA ILE A 30 4.285 -4.783 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 30 3.860 -7.585 -1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.979 -4.986 -0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.627 -5.918 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.309 -7.819 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.742 -7.696 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.496 -6.291 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.580 -6.152 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.166 -7.714 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.540 -6.768 0.226 1.00 0.00 H new ATOM 440 N GLY A 31 3.186 -7.235 -4.520 1.00 0.00 N ATOM 441 CA GLY A 31 3.313 -7.832 -5.837 1.00 0.00 C ATOM 442 C GLY A 31 3.958 -9.202 -5.792 1.00 0.00 C ATOM 443 O GLY A 31 3.885 -9.898 -4.779 1.00 0.00 O ATOM 0 H GLY A 31 2.389 -7.564 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.326 -7.913 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.905 -7.176 -6.475 1.00 0.00 H new ATOM 447 N ARG A 32 4.592 -9.592 -6.893 1.00 0.00 N ATOM 448 CA ARG A 32 5.251 -10.890 -6.977 1.00 0.00 C ATOM 449 C ARG A 32 6.705 -10.792 -6.522 1.00 0.00 C ATOM 450 O ARG A 32 7.608 -11.306 -7.182 1.00 0.00 O ATOM 451 CB ARG A 32 5.188 -11.426 -8.408 1.00 0.00 C ATOM 452 CG ARG A 32 6.226 -10.814 -9.334 1.00 0.00 C ATOM 453 CD ARG A 32 7.219 -11.856 -9.825 1.00 0.00 C ATOM 454 NE ARG A 32 8.587 -11.343 -9.840 1.00 0.00 N ATOM 455 CZ ARG A 32 9.651 -12.097 -10.091 1.00 0.00 C ATOM 456 NH1 ARG A 32 9.506 -13.391 -10.347 1.00 0.00 N ATOM 457 NH2 ARG A 32 10.864 -11.559 -10.087 1.00 0.00 N ATOM 0 H ARG A 32 4.663 -9.027 -7.740 1.00 0.00 H new ATOM 0 HA ARG A 32 4.727 -11.579 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.324 -12.507 -8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.194 -11.237 -8.814 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.728 -10.354 -10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.759 -10.020 -8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.169 -12.736 -9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.941 -12.177 -10.829 1.00 0.00 H new ATOM 0 HE ARG A 32 8.733 -10.352 -9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.576 -13.809 -10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.325 -13.968 -10.539 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.980 -10.565 -9.891 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.680 -12.140 -10.280 1.00 0.00 H new ATOM 471 N GLY A 33 6.923 -10.128 -5.391 1.00 0.00 N ATOM 472 CA GLY A 33 8.267 -9.975 -4.869 1.00 0.00 C ATOM 473 C GLY A 33 8.637 -8.522 -4.638 1.00 0.00 C ATOM 474 O GLY A 33 9.660 -8.226 -4.022 1.00 0.00 O ATOM 0 H GLY A 33 6.192 -9.694 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.354 -10.523 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.977 -10.421 -5.565 1.00 0.00 H new ATOM 478 N GLY A 34 7.804 -7.614 -5.137 1.00 0.00 N ATOM 479 CA GLY A 34 8.067 -6.197 -4.973 1.00 0.00 C ATOM 480 C GLY A 34 7.756 -5.402 -6.225 1.00 0.00 C ATOM 481 O GLY A 34 7.539 -4.191 -6.161 1.00 0.00 O ATOM 0 H GLY A 34 6.952 -7.835 -5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.471 -5.813 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.114 -6.053 -4.706 1.00 0.00 H new ATOM 485 N GLU A 35 7.735 -6.082 -7.367 1.00 0.00 N ATOM 486 CA GLU A 35 7.450 -5.429 -8.639 1.00 0.00 C ATOM 487 C GLU A 35 6.317 -4.418 -8.490 1.00 0.00 C ATOM 488 O GLU A 35 6.231 -3.448 -9.245 1.00 0.00 O ATOM 489 CB GLU A 35 7.085 -6.468 -9.701 1.00 0.00 C ATOM 490 CG GLU A 35 5.742 -7.138 -9.460 1.00 0.00 C ATOM 491 CD GLU A 35 4.942 -7.317 -10.736 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.558 -7.374 -11.820 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.699 -7.399 -10.648 1.00 0.00 O ATOM 0 H GLU A 35 7.912 -7.084 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 35 8.348 -4.898 -8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.071 -5.987 -10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.862 -7.232 -9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.904 -8.112 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.164 -6.542 -8.754 1.00 0.00 H new ATOM 500 N THR A 36 5.449 -4.651 -7.512 1.00 0.00 N ATOM 501 CA THR A 36 4.320 -3.764 -7.263 1.00 0.00 C ATOM 502 C THR A 36 4.653 -2.738 -6.187 1.00 0.00 C ATOM 503 O THR A 36 4.144 -1.617 -6.207 1.00 0.00 O ATOM 504 CB THR A 36 3.068 -4.552 -6.835 1.00 0.00 C ATOM 505 OG1 THR A 36 2.812 -5.611 -7.766 1.00 0.00 O ATOM 506 CG2 THR A 36 1.854 -3.639 -6.752 1.00 0.00 C ATOM 0 H THR A 36 5.506 -5.448 -6.878 1.00 0.00 H new ATOM 0 HA THR A 36 4.112 -3.249 -8.201 1.00 0.00 H new ATOM 0 HB THR A 36 3.253 -4.974 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.015 -6.108 -7.485 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.983 -4.219 -6.448 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.040 -2.852 -6.021 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.669 -3.190 -7.728 1.00 0.00 H new ATOM 514 N ILE A 37 5.510 -3.128 -5.249 1.00 0.00 N ATOM 515 CA ILE A 37 5.911 -2.240 -4.165 1.00 0.00 C ATOM 516 C ILE A 37 6.893 -1.182 -4.656 1.00 0.00 C ATOM 517 O ILE A 37 7.091 -0.155 -4.008 1.00 0.00 O ATOM 518 CB ILE A 37 6.555 -3.024 -3.006 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.316 -2.301 -1.678 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.045 -3.207 -3.254 1.00 0.00 C ATOM 521 CD1 ILE A 37 4.856 -2.017 -1.400 1.00 0.00 C ATOM 0 H ILE A 37 5.940 -4.053 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 37 5.006 -1.752 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 37 6.092 -4.009 -2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.721 -2.905 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.867 -1.360 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.486 -3.763 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.194 -3.759 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.524 -2.231 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.761 -1.503 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.451 -1.387 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.303 -2.956 -1.364 1.00 0.00 H new ATOM 533 N ARG A 38 7.506 -1.440 -5.808 1.00 0.00 N ATOM 534 CA ARG A 38 8.466 -0.510 -6.387 1.00 0.00 C ATOM 535 C ARG A 38 7.756 0.577 -7.190 1.00 0.00 C ATOM 536 O ARG A 38 8.091 1.757 -7.089 1.00 0.00 O ATOM 537 CB ARG A 38 9.455 -1.257 -7.284 1.00 0.00 C ATOM 538 CG ARG A 38 10.231 -2.346 -6.561 1.00 0.00 C ATOM 539 CD ARG A 38 11.604 -2.555 -7.179 1.00 0.00 C ATOM 540 NE ARG A 38 12.595 -2.960 -6.185 1.00 0.00 N ATOM 541 CZ ARG A 38 12.685 -4.192 -5.698 1.00 0.00 C ATOM 542 NH1 ARG A 38 11.849 -5.135 -6.109 1.00 0.00 N ATOM 543 NH2 ARG A 38 13.614 -4.483 -4.796 1.00 0.00 N ATOM 0 H ARG A 38 7.354 -2.286 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 38 9.012 -0.036 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.912 -1.702 -8.117 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.159 -0.542 -7.708 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.341 -2.079 -5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.669 -3.279 -6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.539 -3.315 -7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.929 -1.633 -7.660 1.00 0.00 H new ATOM 0 HE ARG A 38 13.254 -2.258 -5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.133 -4.915 -6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.921 -6.080 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.259 -3.760 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.683 -5.429 -4.422 1.00 0.00 H new ATOM 557 N SER A 39 6.773 0.169 -7.987 1.00 0.00 N ATOM 558 CA SER A 39 6.018 1.106 -8.810 1.00 0.00 C ATOM 559 C SER A 39 5.402 2.208 -7.954 1.00 0.00 C ATOM 560 O SER A 39 5.116 3.302 -8.441 1.00 0.00 O ATOM 561 CB SER A 39 4.921 0.371 -9.581 1.00 0.00 C ATOM 562 OG SER A 39 4.752 0.921 -10.876 1.00 0.00 O ATOM 0 H SER A 39 6.481 -0.804 -8.080 1.00 0.00 H new ATOM 0 HA SER A 39 6.707 1.564 -9.520 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.175 -0.686 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.982 0.432 -9.031 1.00 0.00 H new ATOM 0 HG SER A 39 4.046 0.433 -11.349 1.00 0.00 H new ATOM 568 N ILE A 40 5.201 1.911 -6.674 1.00 0.00 N ATOM 569 CA ILE A 40 4.620 2.876 -5.748 1.00 0.00 C ATOM 570 C ILE A 40 5.621 3.970 -5.396 1.00 0.00 C ATOM 571 O ILE A 40 5.290 5.157 -5.409 1.00 0.00 O ATOM 572 CB ILE A 40 4.142 2.195 -4.452 1.00 0.00 C ATOM 573 CG1 ILE A 40 3.196 1.037 -4.776 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.459 3.206 -3.544 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.904 0.145 -3.590 1.00 0.00 C ATOM 0 H ILE A 40 5.432 1.010 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 40 3.762 3.321 -6.252 1.00 0.00 H new ATOM 0 HB ILE A 40 5.010 1.794 -3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.258 1.441 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.631 0.436 -5.574 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.127 2.710 -2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.162 4.000 -3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.599 3.634 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.227 -0.654 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.834 -0.288 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.440 0.733 -2.798 1.00 0.00 H new ATOM 587 N CYS A 41 6.846 3.565 -5.081 1.00 0.00 N ATOM 588 CA CYS A 41 7.898 4.512 -4.726 1.00 0.00 C ATOM 589 C CYS A 41 8.117 5.525 -5.844 1.00 0.00 C ATOM 590 O CYS A 41 8.434 6.688 -5.591 1.00 0.00 O ATOM 591 CB CYS A 41 9.202 3.770 -4.429 1.00 0.00 C ATOM 592 SG CYS A 41 10.685 4.793 -4.587 1.00 0.00 S ATOM 0 H CYS A 41 7.136 2.587 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 41 7.583 5.049 -3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.157 3.368 -3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.286 2.920 -5.106 1.00 0.00 H new ATOM 0 HG CYS A 41 10.342 6.014 -4.873 1.00 0.00 H new ATOM 598 N LYS A 42 7.950 5.076 -7.084 1.00 0.00 N ATOM 599 CA LYS A 42 8.131 5.943 -8.243 1.00 0.00 C ATOM 600 C LYS A 42 6.851 6.714 -8.550 1.00 0.00 C ATOM 601 O LYS A 42 6.895 7.817 -9.095 1.00 0.00 O ATOM 602 CB LYS A 42 8.546 5.118 -9.462 1.00 0.00 C ATOM 603 CG LYS A 42 7.392 4.383 -10.122 1.00 0.00 C ATOM 604 CD LYS A 42 7.752 3.927 -11.527 1.00 0.00 C ATOM 605 CE LYS A 42 8.192 2.471 -11.544 1.00 0.00 C ATOM 606 NZ LYS A 42 9.226 2.217 -12.584 1.00 0.00 N ATOM 0 H LYS A 42 7.690 4.117 -7.312 1.00 0.00 H new ATOM 0 HA LYS A 42 8.919 6.659 -8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.012 5.777 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.302 4.393 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.116 3.519 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.520 5.035 -10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.892 4.056 -12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.551 4.555 -11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.587 2.199 -10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.328 1.832 -11.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.500 1.214 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.841 2.452 -13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.061 2.807 -12.395 1.00 0.00 H new ATOM 620 N ALA A 43 5.713 6.128 -8.195 1.00 0.00 N ATOM 621 CA ALA A 43 4.421 6.762 -8.430 1.00 0.00 C ATOM 622 C ALA A 43 4.160 7.868 -7.413 1.00 0.00 C ATOM 623 O ALA A 43 3.329 8.747 -7.640 1.00 0.00 O ATOM 624 CB ALA A 43 3.308 5.725 -8.383 1.00 0.00 C ATOM 0 H ALA A 43 5.659 5.215 -7.743 1.00 0.00 H new ATOM 0 HA ALA A 43 4.440 7.213 -9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.349 6.212 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.480 4.972 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.297 5.247 -7.403 1.00 0.00 H new ATOM 630 N SER A 44 4.874 7.817 -6.294 1.00 0.00 N ATOM 631 CA SER A 44 4.715 8.812 -5.240 1.00 0.00 C ATOM 632 C SER A 44 6.031 9.539 -4.977 1.00 0.00 C ATOM 633 O SER A 44 6.046 10.736 -4.691 1.00 0.00 O ATOM 634 CB SER A 44 4.220 8.150 -3.953 1.00 0.00 C ATOM 635 OG SER A 44 4.966 6.981 -3.661 1.00 0.00 O ATOM 0 H SER A 44 5.568 7.097 -6.093 1.00 0.00 H new ATOM 0 HA SER A 44 3.976 9.541 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.301 8.853 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.165 7.896 -4.054 1.00 0.00 H new ATOM 0 HG SER A 44 4.727 6.274 -4.296 1.00 0.00 H new ATOM 641 N GLY A 45 7.135 8.806 -5.077 1.00 0.00 N ATOM 642 CA GLY A 45 8.441 9.397 -4.848 1.00 0.00 C ATOM 643 C GLY A 45 9.010 9.035 -3.491 1.00 0.00 C ATOM 644 O GLY A 45 10.203 9.211 -3.243 1.00 0.00 O ATOM 0 H GLY A 45 7.149 7.814 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.128 9.066 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.365 10.481 -4.930 1.00 0.00 H new ATOM 648 N ALA A 46 8.156 8.528 -2.608 1.00 0.00 N ATOM 649 CA ALA A 46 8.580 8.141 -1.270 1.00 0.00 C ATOM 650 C ALA A 46 9.030 6.683 -1.236 1.00 0.00 C ATOM 651 O ALA A 46 8.650 5.885 -2.093 1.00 0.00 O ATOM 652 CB ALA A 46 7.455 8.370 -0.271 1.00 0.00 C ATOM 0 H ALA A 46 7.165 8.376 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 46 9.430 8.764 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.787 8.076 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.182 9.425 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.589 7.773 -0.555 1.00 0.00 H new ATOM 658 N LYS A 47 9.842 6.342 -0.241 1.00 0.00 N ATOM 659 CA LYS A 47 10.343 4.981 -0.095 1.00 0.00 C ATOM 660 C LYS A 47 9.367 4.124 0.704 1.00 0.00 C ATOM 661 O LYS A 47 8.840 4.559 1.729 1.00 0.00 O ATOM 662 CB LYS A 47 11.711 4.990 0.592 1.00 0.00 C ATOM 663 CG LYS A 47 12.166 3.618 1.060 1.00 0.00 C ATOM 664 CD LYS A 47 12.794 2.823 -0.073 1.00 0.00 C ATOM 665 CE LYS A 47 12.491 1.339 0.055 1.00 0.00 C ATOM 666 NZ LYS A 47 13.698 0.556 0.440 1.00 0.00 N ATOM 0 H LYS A 47 10.167 6.990 0.476 1.00 0.00 H new ATOM 0 HA LYS A 47 10.446 4.550 -1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.452 5.393 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.674 5.663 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.886 3.729 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.315 3.069 1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.420 3.191 -1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.873 2.977 -0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.710 1.191 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.103 0.965 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.449 -0.451 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.435 0.676 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.054 0.895 1.356 1.00 0.00 H new ATOM 680 N ILE A 48 9.131 2.905 0.231 1.00 0.00 N ATOM 681 CA ILE A 48 8.221 1.987 0.903 1.00 0.00 C ATOM 682 C ILE A 48 8.924 0.686 1.273 1.00 0.00 C ATOM 683 O ILE A 48 9.456 -0.013 0.411 1.00 0.00 O ATOM 684 CB ILE A 48 6.997 1.665 0.025 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.844 2.712 -1.078 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.738 1.595 0.877 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.390 4.063 -0.570 1.00 0.00 C ATOM 0 H ILE A 48 9.558 2.530 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 48 7.885 2.486 1.812 1.00 0.00 H new ATOM 0 HB ILE A 48 7.149 0.692 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.798 2.828 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.127 2.350 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.882 1.367 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.851 0.814 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.579 2.554 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.303 4.756 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.421 3.961 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.118 4.447 0.144 1.00 0.00 H new ATOM 699 N THR A 49 8.923 0.365 2.564 1.00 0.00 N ATOM 700 CA THR A 49 9.561 -0.852 3.049 1.00 0.00 C ATOM 701 C THR A 49 8.632 -1.627 3.976 1.00 0.00 C ATOM 702 O THR A 49 7.814 -1.039 4.684 1.00 0.00 O ATOM 703 CB THR A 49 10.871 -0.540 3.796 1.00 0.00 C ATOM 704 OG1 THR A 49 11.663 -1.728 3.914 1.00 0.00 O ATOM 705 CG2 THR A 49 10.584 0.023 5.180 1.00 0.00 C ATOM 0 H THR A 49 8.487 0.932 3.292 1.00 0.00 H new ATOM 0 HA THR A 49 9.787 -1.461 2.174 1.00 0.00 H new ATOM 0 HB THR A 49 11.420 0.207 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.495 -1.521 4.389 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.524 0.236 5.688 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.006 0.943 5.086 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.015 -0.705 5.758 1.00 0.00 H new ATOM 713 N CYS A 50 8.766 -2.949 3.969 1.00 0.00 N ATOM 714 CA CYS A 50 7.937 -3.805 4.811 1.00 0.00 C ATOM 715 C CYS A 50 8.636 -4.109 6.132 1.00 0.00 C ATOM 716 O CYS A 50 9.847 -4.326 6.169 1.00 0.00 O ATOM 717 CB CYS A 50 7.609 -5.109 4.082 1.00 0.00 C ATOM 718 SG CYS A 50 8.994 -6.269 3.986 1.00 0.00 S ATOM 0 H CYS A 50 9.440 -3.451 3.391 1.00 0.00 H new ATOM 0 HA CYS A 50 7.010 -3.274 5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.775 -5.596 4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.275 -4.874 3.071 1.00 0.00 H new ATOM 0 HG CYS A 50 9.905 -5.930 4.849 1.00 0.00 H new ATOM 858 N LEU A 60 0.370 -12.807 10.914 1.00 0.00 N ATOM 859 CA LEU A 60 -1.024 -12.488 10.632 1.00 0.00 C ATOM 860 C LEU A 60 -1.129 -11.385 9.585 1.00 0.00 C ATOM 861 O LEU A 60 -1.724 -11.576 8.523 1.00 0.00 O ATOM 862 CB LEU A 60 -1.740 -12.061 11.914 1.00 0.00 C ATOM 863 CG LEU A 60 -2.810 -13.019 12.437 1.00 0.00 C ATOM 864 CD1 LEU A 60 -2.516 -13.413 13.877 1.00 0.00 C ATOM 865 CD2 LEU A 60 -4.190 -12.388 12.328 1.00 0.00 C ATOM 0 HA LEU A 60 -1.503 -13.384 10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.992 -11.922 12.695 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.204 -11.090 11.741 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.794 -13.920 11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.288 -14.095 14.232 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.545 -13.906 13.928 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.504 -12.521 14.503 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.939 -13.084 12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.218 -11.471 12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.403 -12.156 11.284 1.00 0.00 H new ATOM 877 N SER A 61 -0.548 -10.229 9.889 1.00 0.00 N ATOM 878 CA SER A 61 -0.578 -9.093 8.975 1.00 0.00 C ATOM 879 C SER A 61 0.814 -8.487 8.817 1.00 0.00 C ATOM 880 O SER A 61 1.636 -8.544 9.731 1.00 0.00 O ATOM 881 CB SER A 61 -1.555 -8.030 9.481 1.00 0.00 C ATOM 882 OG SER A 61 -2.767 -8.619 9.919 1.00 0.00 O ATOM 0 H SER A 61 -0.050 -10.054 10.762 1.00 0.00 H new ATOM 0 HA SER A 61 -0.913 -9.450 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.100 -7.474 10.301 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.762 -7.313 8.686 1.00 0.00 H new ATOM 0 HG SER A 61 -3.374 -7.919 10.239 1.00 0.00 H new ATOM 888 N ARG A 62 1.070 -7.907 7.649 1.00 0.00 N ATOM 889 CA ARG A 62 2.361 -7.292 7.368 1.00 0.00 C ATOM 890 C ARG A 62 2.331 -5.798 7.680 1.00 0.00 C ATOM 891 O ARG A 62 1.266 -5.223 7.912 1.00 0.00 O ATOM 892 CB ARG A 62 2.747 -7.509 5.904 1.00 0.00 C ATOM 893 CG ARG A 62 3.697 -8.676 5.691 1.00 0.00 C ATOM 894 CD ARG A 62 5.127 -8.201 5.490 1.00 0.00 C ATOM 895 NE ARG A 62 5.643 -8.558 4.170 1.00 0.00 N ATOM 896 CZ ARG A 62 5.898 -9.805 3.795 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.687 -10.810 4.635 1.00 0.00 N ATOM 898 NH2 ARG A 62 6.366 -10.051 2.577 1.00 0.00 N ATOM 0 H ARG A 62 0.400 -7.850 6.882 1.00 0.00 H new ATOM 0 HA ARG A 62 3.106 -7.765 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.842 -7.677 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.210 -6.600 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.652 -9.345 6.551 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.378 -9.252 4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.170 -7.119 5.616 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.765 -8.637 6.259 1.00 0.00 H new ATOM 0 HE ARG A 62 5.816 -7.808 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.328 -10.625 5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.884 -11.768 4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.530 -9.281 1.928 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.562 -11.010 2.290 1.00 0.00 H new ATOM 912 N LEU A 63 3.504 -5.177 7.686 1.00 0.00 N ATOM 913 CA LEU A 63 3.613 -3.750 7.971 1.00 0.00 C ATOM 914 C LEU A 63 4.387 -3.032 6.870 1.00 0.00 C ATOM 915 O LEU A 63 5.196 -3.641 6.170 1.00 0.00 O ATOM 916 CB LEU A 63 4.301 -3.529 9.320 1.00 0.00 C ATOM 917 CG LEU A 63 3.626 -2.534 10.263 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.275 -2.576 11.638 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.686 -1.127 9.685 1.00 0.00 C ATOM 0 H LEU A 63 4.394 -5.638 7.497 1.00 0.00 H new ATOM 0 HA LEU A 63 2.606 -3.336 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.374 -4.490 9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.320 -3.189 9.134 1.00 0.00 H new ATOM 0 HG LEU A 63 2.579 -2.817 10.370 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.781 -1.861 12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.179 -3.579 12.055 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.331 -2.319 11.550 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.201 -0.431 10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.727 -0.834 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.173 -1.107 8.723 1.00 0.00 H new ATOM 931 N ILE A 64 4.134 -1.735 6.724 1.00 0.00 N ATOM 932 CA ILE A 64 4.809 -0.936 5.710 1.00 0.00 C ATOM 933 C ILE A 64 5.376 0.347 6.310 1.00 0.00 C ATOM 934 O ILE A 64 4.869 0.855 7.310 1.00 0.00 O ATOM 935 CB ILE A 64 3.858 -0.571 4.555 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.317 -1.840 3.892 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.573 0.302 3.536 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.272 -2.453 2.891 1.00 0.00 C ATOM 0 H ILE A 64 3.467 -1.216 7.295 1.00 0.00 H new ATOM 0 HA ILE A 64 5.625 -1.545 5.320 1.00 0.00 H new ATOM 0 HB ILE A 64 3.017 -0.008 4.960 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.091 -2.576 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.378 -1.606 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.888 0.551 2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.914 1.218 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.430 -0.237 3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.823 -3.348 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.479 -1.734 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.203 -2.719 3.392 1.00 0.00 H new ATOM 950 N LYS A 65 6.430 0.867 5.691 1.00 0.00 N ATOM 951 CA LYS A 65 7.065 2.093 6.160 1.00 0.00 C ATOM 952 C LYS A 65 7.223 3.095 5.021 1.00 0.00 C ATOM 953 O LYS A 65 8.051 2.908 4.129 1.00 0.00 O ATOM 954 CB LYS A 65 8.433 1.780 6.771 1.00 0.00 C ATOM 955 CG LYS A 65 8.466 1.904 8.285 1.00 0.00 C ATOM 956 CD LYS A 65 9.870 1.708 8.831 1.00 0.00 C ATOM 957 CE LYS A 65 9.931 0.548 9.812 1.00 0.00 C ATOM 958 NZ LYS A 65 11.136 0.620 10.682 1.00 0.00 N ATOM 0 H LYS A 65 6.863 0.458 4.863 1.00 0.00 H new ATOM 0 HA LYS A 65 6.425 2.536 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.723 0.767 6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.175 2.454 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.094 2.886 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.797 1.165 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.559 1.525 8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.200 2.622 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.035 0.550 10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.936 -0.393 9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.141 -0.188 11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.992 0.593 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.119 1.506 11.226 1.00 0.00 H new ATOM 972 N ILE A 66 6.425 4.156 5.059 1.00 0.00 N ATOM 973 CA ILE A 66 6.479 5.189 4.031 1.00 0.00 C ATOM 974 C ILE A 66 7.328 6.371 4.483 1.00 0.00 C ATOM 975 O ILE A 66 7.041 7.002 5.501 1.00 0.00 O ATOM 976 CB ILE A 66 5.071 5.693 3.666 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.136 4.511 3.397 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.134 6.610 2.453 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.791 4.637 4.078 1.00 0.00 C ATOM 0 H ILE A 66 5.733 4.323 5.790 1.00 0.00 H new ATOM 0 HA ILE A 66 6.933 4.734 3.151 1.00 0.00 H new ATOM 0 HB ILE A 66 4.676 6.262 4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.982 4.417 2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.619 3.593 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.131 6.958 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.770 7.466 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.546 6.063 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.181 3.765 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.934 4.700 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.288 5.537 3.725 1.00 0.00 H new ATOM 991 N SER A 67 8.374 6.669 3.720 1.00 0.00 N ATOM 992 CA SER A 67 9.267 7.776 4.042 1.00 0.00 C ATOM 993 C SER A 67 9.400 8.730 2.860 1.00 0.00 C ATOM 994 O SER A 67 9.309 8.320 1.703 1.00 0.00 O ATOM 995 CB SER A 67 10.645 7.247 4.443 1.00 0.00 C ATOM 996 OG SER A 67 11.093 6.252 3.538 1.00 0.00 O ATOM 0 H SER A 67 8.624 6.159 2.873 1.00 0.00 H new ATOM 0 HA SER A 67 8.837 8.324 4.881 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.360 8.069 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.600 6.833 5.450 1.00 0.00 H new ATOM 0 HG SER A 67 11.976 5.931 3.816 1.00 0.00 H new ATOM 1002 N GLY A 68 9.616 10.008 3.158 1.00 0.00 N ATOM 1003 CA GLY A 68 9.758 11.001 2.110 1.00 0.00 C ATOM 1004 C GLY A 68 9.191 12.349 2.509 1.00 0.00 C ATOM 1005 O GLY A 68 9.073 12.656 3.695 1.00 0.00 O ATOM 0 H GLY A 68 9.695 10.373 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.813 11.113 1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.253 10.650 1.210 1.00 0.00 H new ATOM 1009 N THR A 69 8.840 13.159 1.515 1.00 0.00 N ATOM 1010 CA THR A 69 8.285 14.482 1.767 1.00 0.00 C ATOM 1011 C THR A 69 6.786 14.408 2.035 1.00 0.00 C ATOM 1012 O THR A 69 6.095 13.537 1.506 1.00 0.00 O ATOM 1013 CB THR A 69 8.536 15.433 0.581 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.637 15.128 -0.491 1.00 0.00 O ATOM 1015 CG2 THR A 69 9.973 15.320 0.093 1.00 0.00 C ATOM 0 H THR A 69 8.931 12.921 0.527 1.00 0.00 H new ATOM 0 HA THR A 69 8.791 14.873 2.650 1.00 0.00 H new ATOM 0 HB THR A 69 8.363 16.455 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.802 15.738 -1.240 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.127 16.000 -0.745 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.654 15.581 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.168 14.297 -0.229 1.00 0.00 H new ATOM 1023 N GLN A 70 6.290 15.327 2.857 1.00 0.00 N ATOM 1024 CA GLN A 70 4.871 15.365 3.193 1.00 0.00 C ATOM 1025 C GLN A 70 4.012 15.136 1.954 1.00 0.00 C ATOM 1026 O GLN A 70 2.860 14.713 2.053 1.00 0.00 O ATOM 1027 CB GLN A 70 4.513 16.706 3.836 1.00 0.00 C ATOM 1028 CG GLN A 70 3.251 16.658 4.680 1.00 0.00 C ATOM 1029 CD GLN A 70 3.508 16.162 6.089 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.208 16.808 6.869 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.942 15.008 6.422 1.00 0.00 N ATOM 0 H GLN A 70 6.849 16.055 3.302 1.00 0.00 H new ATOM 0 HA GLN A 70 4.670 14.564 3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.345 17.034 4.459 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.388 17.453 3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.811 17.654 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.521 16.008 4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.369 14.506 5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.080 14.623 7.357 1.00 0.00 H new ATOM 1040 N LYS A 71 4.579 15.419 0.786 1.00 0.00 N ATOM 1041 CA LYS A 71 3.865 15.244 -0.474 1.00 0.00 C ATOM 1042 C LYS A 71 3.768 13.768 -0.843 1.00 0.00 C ATOM 1043 O LYS A 71 2.682 13.260 -1.124 1.00 0.00 O ATOM 1044 CB LYS A 71 4.569 16.015 -1.594 1.00 0.00 C ATOM 1045 CG LYS A 71 4.344 17.516 -1.534 1.00 0.00 C ATOM 1046 CD LYS A 71 5.638 18.284 -1.740 1.00 0.00 C ATOM 1047 CE LYS A 71 5.639 19.592 -0.966 1.00 0.00 C ATOM 1048 NZ LYS A 71 6.023 19.396 0.459 1.00 0.00 N ATOM 0 H LYS A 71 5.531 15.771 0.686 1.00 0.00 H new ATOM 0 HA LYS A 71 2.856 15.637 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.639 15.814 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.219 15.642 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.622 17.807 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.912 17.782 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.481 17.671 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.776 18.488 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.332 20.291 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.648 20.044 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.011 20.312 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.348 18.750 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.979 18.989 0.508 1.00 0.00 H new ATOM 1062 N GLU A 72 4.907 13.084 -0.838 1.00 0.00 N ATOM 1063 CA GLU A 72 4.948 11.665 -1.171 1.00 0.00 C ATOM 1064 C GLU A 72 4.344 10.825 -0.049 1.00 0.00 C ATOM 1065 O GLU A 72 3.298 10.198 -0.221 1.00 0.00 O ATOM 1066 CB GLU A 72 6.388 11.221 -1.437 1.00 0.00 C ATOM 1067 CG GLU A 72 7.237 12.284 -2.114 1.00 0.00 C ATOM 1068 CD GLU A 72 6.567 12.871 -3.342 1.00 0.00 C ATOM 1069 OE1 GLU A 72 5.423 13.357 -3.219 1.00 0.00 O ATOM 1070 OE2 GLU A 72 7.189 12.844 -4.424 1.00 0.00 O ATOM 0 H GLU A 72 5.814 13.489 -0.607 1.00 0.00 H new ATOM 0 HA GLU A 72 4.357 11.513 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.854 10.943 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.374 10.327 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.448 13.083 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.195 11.851 -2.400 1.00 0.00 H new ATOM 1077 N VAL A 73 5.011 10.817 1.101 1.00 0.00 N ATOM 1078 CA VAL A 73 4.542 10.055 2.252 1.00 0.00 C ATOM 1079 C VAL A 73 3.022 10.102 2.360 1.00 0.00 C ATOM 1080 O VAL A 73 2.397 9.179 2.880 1.00 0.00 O ATOM 1081 CB VAL A 73 5.155 10.582 3.562 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.603 9.819 4.756 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.673 10.489 3.515 1.00 0.00 C ATOM 0 H VAL A 73 5.878 11.330 1.260 1.00 0.00 H new ATOM 0 HA VAL A 73 4.861 9.024 2.100 1.00 0.00 H new ATOM 0 HB VAL A 73 4.881 11.631 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.048 10.206 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.521 9.942 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.844 8.761 4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.090 10.866 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.970 9.449 3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.048 11.085 2.684 1.00 0.00 H new ATOM 1093 N ALA A 74 2.433 11.186 1.864 1.00 0.00 N ATOM 1094 CA ALA A 74 0.986 11.354 1.902 1.00 0.00 C ATOM 1095 C ALA A 74 0.331 10.756 0.661 1.00 0.00 C ATOM 1096 O ALA A 74 -0.733 10.141 0.744 1.00 0.00 O ATOM 1097 CB ALA A 74 0.628 12.827 2.032 1.00 0.00 C ATOM 0 H ALA A 74 2.936 11.961 1.431 1.00 0.00 H new ATOM 0 HA ALA A 74 0.606 10.821 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.456 12.937 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.056 13.226 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.027 13.375 1.179 1.00 0.00 H new ATOM 1103 N ALA A 75 0.972 10.939 -0.488 1.00 0.00 N ATOM 1104 CA ALA A 75 0.452 10.416 -1.745 1.00 0.00 C ATOM 1105 C ALA A 75 0.650 8.907 -1.836 1.00 0.00 C ATOM 1106 O ALA A 75 -0.302 8.161 -2.063 1.00 0.00 O ATOM 1107 CB ALA A 75 1.123 11.110 -2.923 1.00 0.00 C ATOM 0 H ALA A 75 1.853 11.446 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.619 10.618 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.725 10.710 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.926 12.181 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.198 10.937 -2.883 1.00 0.00 H new ATOM 1113 N ALA A 76 1.890 8.465 -1.658 1.00 0.00 N ATOM 1114 CA ALA A 76 2.210 7.044 -1.718 1.00 0.00 C ATOM 1115 C ALA A 76 1.231 6.225 -0.884 1.00 0.00 C ATOM 1116 O ALA A 76 0.866 5.110 -1.255 1.00 0.00 O ATOM 1117 CB ALA A 76 3.637 6.805 -1.246 1.00 0.00 C ATOM 0 H ALA A 76 2.690 9.070 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 76 2.122 6.720 -2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.863 5.740 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.329 7.353 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.743 7.151 -0.218 1.00 0.00 H new ATOM 1123 N LYS A 77 0.809 6.784 0.245 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.127 6.106 1.132 1.00 0.00 C ATOM 1125 C LYS A 77 -1.396 5.711 0.383 1.00 0.00 C ATOM 1126 O LYS A 77 -1.920 4.611 0.567 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.483 7.008 2.317 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.905 6.241 3.559 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.601 7.144 4.563 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.732 7.389 5.788 1.00 0.00 C ATOM 1131 NZ LYS A 77 -0.811 8.802 6.251 1.00 0.00 N ATOM 0 H LYS A 77 1.101 7.707 0.567 1.00 0.00 H new ATOM 0 HA LYS A 77 0.353 5.200 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.377 7.631 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.290 7.679 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.573 5.428 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.029 5.787 4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.843 8.096 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.544 6.691 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.045 6.725 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.303 7.141 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.205 8.928 7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.488 9.435 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.795 9.032 6.499 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.885 6.612 -0.463 1.00 0.00 N ATOM 1146 CA HIS A 78 -3.091 6.355 -1.241 1.00 0.00 C ATOM 1147 C HIS A 78 -2.901 5.147 -2.154 1.00 0.00 C ATOM 1148 O HIS A 78 -3.755 4.261 -2.214 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.457 7.584 -2.073 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.853 7.546 -2.616 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.472 6.635 -3.402 1.00 0.00 N flip ATOM 1152 CD2 HIS A 78 -5.786 8.530 -2.366 1.00 0.00 C flip ATOM 1153 CE1 HIS A 78 -6.755 7.079 -3.609 1.00 0.00 C flip ATOM 1154 NE2 HIS A 78 -6.919 8.225 -2.972 1.00 0.00 N flip ATOM 0 H HIS A 78 -1.464 7.527 -0.627 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.903 6.140 -0.547 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.339 8.477 -1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.756 7.673 -2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.617 9.413 -1.768 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.507 6.574 -4.197 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.775 8.780 -2.952 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.779 5.117 -2.864 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.478 4.018 -3.774 1.00 0.00 C ATOM 1164 C LEU A 79 -1.408 2.693 -3.023 1.00 0.00 C ATOM 1165 O LEU A 79 -1.975 1.691 -3.459 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.154 4.277 -4.497 1.00 0.00 C ATOM 1167 CG LEU A 79 0.054 5.696 -5.028 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.413 5.821 -5.699 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.058 6.072 -5.997 1.00 0.00 C ATOM 0 H LEU A 79 -1.062 5.842 -2.827 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.281 3.957 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.662 4.043 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.078 3.583 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 79 0.023 6.387 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.543 6.837 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.198 5.595 -4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.474 5.120 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.893 7.085 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.059 5.377 -6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.019 6.024 -5.485 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.711 2.695 -1.891 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.572 1.494 -1.078 1.00 0.00 C ATOM 1183 C ILE A 80 -1.933 0.883 -0.761 1.00 0.00 C ATOM 1184 O ILE A 80 -2.081 -0.339 -0.712 1.00 0.00 O ATOM 1185 CB ILE A 80 0.165 1.790 0.241 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.612 2.204 -0.039 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.124 0.574 1.156 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.179 3.151 0.994 1.00 0.00 C ATOM 0 H ILE A 80 -0.234 3.515 -1.517 1.00 0.00 H new ATOM 0 HA ILE A 80 0.015 0.784 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.339 2.616 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.235 1.311 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.663 2.676 -1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.649 0.799 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.913 0.320 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.606 -0.270 0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.207 3.402 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.579 4.061 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.160 2.674 1.974 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.925 1.740 -0.548 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.276 1.286 -0.238 1.00 0.00 C ATOM 1202 C LEU A 81 -5.018 0.876 -1.506 1.00 0.00 C ATOM 1203 O LEU A 81 -5.889 0.008 -1.473 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.051 2.387 0.488 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.492 2.821 1.842 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -4.998 4.208 2.209 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.862 1.813 2.921 1.00 0.00 C ATOM 0 H LEU A 81 -2.819 2.754 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.200 0.415 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.095 3.261 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.076 2.046 0.633 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.405 2.861 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.589 4.500 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.681 4.923 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.087 4.195 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.455 2.139 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.947 1.740 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.449 0.837 2.665 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.663 1.507 -2.622 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.295 1.206 -3.901 1.00 0.00 C ATOM 1221 C GLU A 82 -5.140 -0.272 -4.251 1.00 0.00 C ATOM 1222 O GLU A 82 -5.919 -0.824 -5.028 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.691 2.070 -5.009 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.147 3.519 -4.969 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.838 3.950 -6.248 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -6.696 3.191 -6.744 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -5.519 5.046 -6.753 1.00 0.00 O ATOM 0 H GLU A 82 -3.943 2.228 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.358 1.431 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.604 2.038 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.954 1.642 -5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.827 3.659 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.285 4.162 -4.792 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.126 -0.907 -3.673 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.866 -2.320 -3.922 1.00 0.00 C ATOM 1236 C LYS A 83 -4.663 -3.196 -2.961 1.00 0.00 C ATOM 1237 O LYS A 83 -5.180 -4.245 -3.347 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.371 -2.618 -3.778 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.553 -2.217 -4.993 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.402 -0.708 -5.093 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.952 -0.283 -6.482 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.063 0.324 -7.264 1.00 0.00 N ATOM 0 H LYS A 83 -3.470 -0.465 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.180 -2.548 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.987 -2.094 -2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.237 -3.684 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.567 -2.679 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.032 -2.596 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.352 -0.230 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.678 -0.364 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.135 0.434 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.562 -1.148 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.715 0.600 -8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.832 -0.368 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.419 1.165 -6.766 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.761 -2.760 -1.710 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.498 -3.503 -0.696 1.00 0.00 C ATOM 1258 C VAL A 84 -6.960 -3.674 -1.093 1.00 0.00 C ATOM 1259 O VAL A 84 -7.552 -4.733 -0.883 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.429 -2.805 0.675 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.241 -3.572 1.708 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.982 -2.658 1.124 1.00 0.00 C ATOM 0 H VAL A 84 -4.338 -1.895 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.028 -4.483 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.860 -1.808 0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.180 -3.063 2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.282 -3.621 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.844 -4.582 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.951 -2.163 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.524 -3.644 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.434 -2.062 0.395 1.00 0.00 H new ATOM 1272 N SER A 85 -7.537 -2.624 -1.670 1.00 0.00 N ATOM 1273 CA SER A 85 -8.932 -2.655 -2.093 1.00 0.00 C ATOM 1274 C SER A 85 -9.111 -3.566 -3.304 1.00 0.00 C ATOM 1275 O SER A 85 -10.187 -4.121 -3.522 1.00 0.00 O ATOM 1276 CB SER A 85 -9.418 -1.244 -2.426 1.00 0.00 C ATOM 1277 OG SER A 85 -10.049 -0.644 -1.308 1.00 0.00 O ATOM 0 H SER A 85 -7.060 -1.742 -1.855 1.00 0.00 H new ATOM 0 HA SER A 85 -9.527 -3.051 -1.270 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.574 -0.631 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.115 -1.284 -3.263 1.00 0.00 H new ATOM 0 HG SER A 85 -10.349 0.258 -1.547 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.047 -3.713 -4.089 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.087 -4.555 -5.278 1.00 0.00 C ATOM 1285 C GLU A 86 -8.301 -6.018 -4.902 1.00 0.00 C ATOM 1286 O GLU A 86 -9.318 -6.618 -5.251 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.791 -4.407 -6.079 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.851 -3.316 -7.135 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.374 -3.793 -8.494 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -6.861 -4.846 -8.956 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.514 -3.114 -9.093 1.00 0.00 O ATOM 0 H GLU A 86 -7.148 -3.260 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.926 -4.230 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.972 -4.192 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.562 -5.357 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.876 -2.954 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.240 -2.472 -6.815 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.335 -6.587 -4.189 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.416 -7.980 -3.764 1.00 0.00 C ATOM 1300 C ASP A 87 -8.643 -8.209 -2.886 1.00 0.00 C ATOM 1301 O ASP A 87 -9.282 -9.259 -2.961 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.150 -8.378 -3.006 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.848 -9.860 -3.122 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.805 -10.651 -3.258 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.655 -10.229 -3.074 1.00 0.00 O ATOM 0 H ASP A 87 -6.486 -6.105 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.507 -8.602 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.305 -7.807 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.261 -8.114 -1.954 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.964 -7.222 -2.056 1.00 0.00 N ATOM 1311 CA GLU A 88 -10.112 -7.319 -1.163 1.00 0.00 C ATOM 1312 C GLU A 88 -11.351 -7.790 -1.919 1.00 0.00 C ATOM 1313 O GLU A 88 -12.091 -8.650 -1.444 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.388 -5.967 -0.501 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.836 -5.777 -0.084 1.00 0.00 C ATOM 1316 CD GLU A 88 -12.051 -4.510 0.720 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -12.138 -3.426 0.107 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.131 -4.602 1.963 1.00 0.00 O ATOM 0 H GLU A 88 -8.446 -6.347 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.878 -8.052 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.750 -5.865 0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.110 -5.171 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.465 -5.749 -0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.156 -6.636 0.506 1.00 0.00 H new