USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 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 Set 1.1: A 18 GLN :FLIP amide:sc= -0.527 F(o=-2.1,f=-0.53) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 29:sc= 0.351 USER MOD Single : A 20 SER OG : rot -22:sc= 0.451! USER MOD Single : A 23 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.025) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.357 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot -51:sc= 0.328 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -69:sc= -3.46! 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 1:sc= -0.131 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 69 THR OG1 : rot -170:sc= -1.23 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.484 X(o=-0.48,f=-0.067) 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 10.956 18.945 3.599 1.00 0.00 N ATOM 148 CA THR A 13 10.972 18.308 4.910 1.00 0.00 C ATOM 149 C THR A 13 10.512 16.857 4.821 1.00 0.00 C ATOM 150 O THR A 13 9.379 16.561 4.441 1.00 0.00 O ATOM 151 CB THR A 13 10.072 19.058 5.910 1.00 0.00 C ATOM 152 OG1 THR A 13 10.233 20.472 5.748 1.00 0.00 O ATOM 153 CG2 THR A 13 10.408 18.666 7.341 1.00 0.00 C ATOM 0 HA THR A 13 12.002 18.340 5.264 1.00 0.00 H new ATOM 0 HB THR A 13 9.036 18.784 5.709 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.469 20.670 4.818 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.759 19.209 8.029 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.257 17.594 7.470 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.448 18.914 7.551 1.00 0.00 H new ATOM 161 N PRO A 14 11.411 15.928 5.180 1.00 0.00 N ATOM 162 CA PRO A 14 11.119 14.492 5.151 1.00 0.00 C ATOM 163 C PRO A 14 10.120 14.081 6.226 1.00 0.00 C ATOM 164 O PRO A 14 9.902 14.807 7.196 1.00 0.00 O ATOM 165 CB PRO A 14 12.483 13.848 5.415 1.00 0.00 C ATOM 166 CG PRO A 14 13.250 14.879 6.167 1.00 0.00 C ATOM 167 CD PRO A 14 12.780 16.209 5.643 1.00 0.00 C ATOM 0 HA PRO A 14 10.663 14.188 4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.382 12.930 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.983 13.584 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.069 14.796 7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.322 14.756 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.793 16.974 6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.413 16.568 4.831 1.00 0.00 H new ATOM 175 N VAL A 15 9.512 12.911 6.048 1.00 0.00 N ATOM 176 CA VAL A 15 8.537 12.404 7.005 1.00 0.00 C ATOM 177 C VAL A 15 8.594 10.883 7.093 1.00 0.00 C ATOM 178 O VAL A 15 9.103 10.217 6.192 1.00 0.00 O ATOM 179 CB VAL A 15 7.106 12.832 6.627 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.207 12.831 7.855 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.117 14.200 5.964 1.00 0.00 C ATOM 0 H VAL A 15 9.678 12.298 5.250 1.00 0.00 H new ATOM 0 HA VAL A 15 8.792 12.831 7.975 1.00 0.00 H new ATOM 0 HB VAL A 15 6.706 12.112 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.200 13.136 7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.175 11.829 8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.601 13.528 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.098 14.486 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.536 14.934 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.725 14.161 5.060 1.00 0.00 H new ATOM 191 N PHE A 16 8.068 10.338 8.186 1.00 0.00 N ATOM 192 CA PHE A 16 8.059 8.895 8.392 1.00 0.00 C ATOM 193 C PHE A 16 6.711 8.432 8.939 1.00 0.00 C ATOM 194 O PHE A 16 6.226 8.953 9.943 1.00 0.00 O ATOM 195 CB PHE A 16 9.179 8.489 9.353 1.00 0.00 C ATOM 196 CG PHE A 16 9.755 7.133 9.063 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.662 6.957 8.031 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.389 6.033 9.823 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.195 5.711 7.761 1.00 0.00 C ATOM 200 CE2 PHE A 16 9.919 4.785 9.559 1.00 0.00 C ATOM 201 CZ PHE A 16 10.822 4.622 8.526 1.00 0.00 C ATOM 0 H PHE A 16 7.643 10.875 8.942 1.00 0.00 H new ATOM 0 HA PHE A 16 8.225 8.414 7.428 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.976 9.231 9.304 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.794 8.501 10.373 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.956 7.804 7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.682 6.153 10.630 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.902 5.588 6.954 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.627 3.936 10.160 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.235 3.646 8.317 1.00 0.00 H new ATOM 211 N GLU A 17 6.114 7.450 8.272 1.00 0.00 N ATOM 212 CA GLU A 17 4.823 6.917 8.690 1.00 0.00 C ATOM 213 C GLU A 17 4.793 5.397 8.561 1.00 0.00 C ATOM 214 O GLU A 17 5.469 4.825 7.707 1.00 0.00 O ATOM 215 CB GLU A 17 3.698 7.534 7.857 1.00 0.00 C ATOM 216 CG GLU A 17 2.460 7.880 8.667 1.00 0.00 C ATOM 217 CD GLU A 17 2.615 9.172 9.448 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.736 10.239 8.812 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.617 9.113 10.695 1.00 0.00 O ATOM 0 H GLU A 17 6.504 7.007 7.440 1.00 0.00 H new ATOM 0 HA GLU A 17 4.674 7.177 9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.069 8.437 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.421 6.839 7.065 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.604 7.965 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.244 7.066 9.358 1.00 0.00 H new ATOM 226 N GLN A 18 4.004 4.752 9.414 1.00 0.00 N ATOM 227 CA GLN A 18 3.887 3.298 9.395 1.00 0.00 C ATOM 228 C GLN A 18 2.453 2.872 9.102 1.00 0.00 C ATOM 229 O GLN A 18 1.502 3.438 9.645 1.00 0.00 O ATOM 230 CB GLN A 18 4.344 2.712 10.732 1.00 0.00 C ATOM 231 CG GLN A 18 5.773 2.198 10.714 1.00 0.00 C ATOM 232 CD GLN A 18 6.000 1.069 11.701 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.435 -0.080 11.196 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 5.788 1.228 12.903 1.00 0.00 N flip ATOM 0 H GLN A 18 3.437 5.212 10.126 1.00 0.00 H new ATOM 0 HA GLN A 18 4.529 2.916 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.251 3.475 11.504 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.677 1.896 11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.018 1.852 9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.453 3.018 10.944 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.454 2.128 13.247 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.946 0.460 13.555 1.00 0.00 H new ATOM 243 N LEU A 19 2.302 1.872 8.241 1.00 0.00 N ATOM 244 CA LEU A 19 0.983 1.369 7.875 1.00 0.00 C ATOM 245 C LEU A 19 0.938 -0.153 7.957 1.00 0.00 C ATOM 246 O LEU A 19 1.679 -0.845 7.257 1.00 0.00 O ATOM 247 CB LEU A 19 0.615 1.826 6.462 1.00 0.00 C ATOM 248 CG LEU A 19 -0.507 2.861 6.363 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.125 4.135 7.101 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.827 3.163 4.906 1.00 0.00 C ATOM 0 H LEU A 19 3.077 1.393 7.783 1.00 0.00 H new ATOM 0 HA LEU A 19 0.259 1.774 8.582 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.507 2.240 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.326 0.950 5.882 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.399 2.447 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.935 4.860 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.054 3.907 8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.781 4.553 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.627 3.901 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.062 3.556 4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.145 2.248 4.406 1.00 0.00 H new ATOM 262 N SER A 20 0.063 -0.670 8.813 1.00 0.00 N ATOM 263 CA SER A 20 -0.077 -2.111 8.988 1.00 0.00 C ATOM 264 C SER A 20 -1.057 -2.688 7.971 1.00 0.00 C ATOM 265 O SER A 20 -2.206 -2.251 7.881 1.00 0.00 O ATOM 266 CB SER A 20 -0.549 -2.431 10.407 1.00 0.00 C ATOM 267 OG SER A 20 -1.945 -2.667 10.439 1.00 0.00 O ATOM 0 H SER A 20 -0.560 -0.112 9.397 1.00 0.00 H new ATOM 0 HA SER A 20 0.899 -2.568 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.020 -3.308 10.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.302 -1.603 11.071 1.00 0.00 H new ATOM 0 HG SER A 20 -2.367 -2.240 9.664 1.00 0.00 H new ATOM 273 N VAL A 21 -0.597 -3.673 7.207 1.00 0.00 N ATOM 274 CA VAL A 21 -1.432 -4.313 6.197 1.00 0.00 C ATOM 275 C VAL A 21 -1.490 -5.822 6.407 1.00 0.00 C ATOM 276 O VAL A 21 -0.564 -6.436 6.936 1.00 0.00 O ATOM 277 CB VAL A 21 -0.915 -4.023 4.775 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.558 -2.552 4.627 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.281 -4.905 4.453 1.00 0.00 C ATOM 0 H VAL A 21 0.350 -4.046 7.268 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.433 -3.896 6.304 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.709 -4.253 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.195 -2.366 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.442 -1.942 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.219 -2.292 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.633 -4.687 3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.081 -4.709 5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.012 -5.953 4.516 1.00 0.00 H new ATOM 289 N PRO A 22 -2.605 -6.436 5.982 1.00 0.00 N ATOM 290 CA PRO A 22 -2.811 -7.881 6.112 1.00 0.00 C ATOM 291 C PRO A 22 -1.901 -8.681 5.188 1.00 0.00 C ATOM 292 O PRO A 22 -1.535 -8.217 4.108 1.00 0.00 O ATOM 293 CB PRO A 22 -4.277 -8.067 5.712 1.00 0.00 C ATOM 294 CG PRO A 22 -4.578 -6.908 4.825 1.00 0.00 C ATOM 295 CD PRO A 22 -3.750 -5.765 5.343 1.00 0.00 C ATOM 0 HA PRO A 22 -2.580 -8.237 7.116 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.429 -9.013 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.928 -8.076 6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.327 -7.134 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.640 -6.663 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.430 -5.103 4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.307 -5.155 6.055 1.00 0.00 H new ATOM 303 N GLN A 23 -1.540 -9.886 5.617 1.00 0.00 N ATOM 304 CA GLN A 23 -0.671 -10.750 4.826 1.00 0.00 C ATOM 305 C GLN A 23 -1.437 -11.374 3.664 1.00 0.00 C ATOM 306 O GLN A 23 -0.845 -11.997 2.783 1.00 0.00 O ATOM 307 CB GLN A 23 -0.072 -11.849 5.707 1.00 0.00 C ATOM 308 CG GLN A 23 -1.012 -13.018 5.944 1.00 0.00 C ATOM 309 CD GLN A 23 -0.435 -14.337 5.467 1.00 0.00 C ATOM 310 OE1 GLN A 23 -1.096 -15.098 4.761 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.805 -14.615 5.853 1.00 0.00 N ATOM 0 H GLN A 23 -1.836 -10.286 6.507 1.00 0.00 H new ATOM 0 HA GLN A 23 0.136 -10.140 4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.843 -12.217 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.210 -11.419 6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.237 -13.088 7.008 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.955 -12.831 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.317 -13.955 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.245 -15.488 5.564 1.00 0.00 H new ATOM 320 N ARG A 24 -2.754 -11.202 3.669 1.00 0.00 N ATOM 321 CA ARG A 24 -3.601 -11.749 2.616 1.00 0.00 C ATOM 322 C ARG A 24 -3.629 -10.821 1.404 1.00 0.00 C ATOM 323 O ARG A 24 -3.849 -11.264 0.277 1.00 0.00 O ATOM 324 CB ARG A 24 -5.022 -11.968 3.137 1.00 0.00 C ATOM 325 CG ARG A 24 -5.883 -10.716 3.104 1.00 0.00 C ATOM 326 CD ARG A 24 -6.830 -10.659 4.291 1.00 0.00 C ATOM 327 NE ARG A 24 -8.224 -10.836 3.890 1.00 0.00 N ATOM 328 CZ ARG A 24 -9.252 -10.670 4.713 1.00 0.00 C ATOM 329 NH1 ARG A 24 -9.045 -10.322 5.976 1.00 0.00 N ATOM 330 NH2 ARG A 24 -10.491 -10.849 4.273 1.00 0.00 N ATOM 0 H ARG A 24 -3.258 -10.688 4.391 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.183 -12.708 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.502 -12.745 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.971 -12.337 4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.243 -9.833 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.457 -10.693 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.558 -11.433 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.718 -9.701 4.798 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.418 -11.102 2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.094 -10.181 6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.837 -10.195 6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.654 -11.114 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.280 -10.721 4.906 1.00 0.00 H new ATOM 344 N SER A 25 -3.404 -9.534 1.646 1.00 0.00 N ATOM 345 CA SER A 25 -3.409 -8.544 0.575 1.00 0.00 C ATOM 346 C SER A 25 -1.996 -8.035 0.300 1.00 0.00 C ATOM 347 O SER A 25 -1.760 -7.323 -0.676 1.00 0.00 O ATOM 348 CB SER A 25 -4.323 -7.372 0.939 1.00 0.00 C ATOM 349 OG SER A 25 -5.539 -7.830 1.503 1.00 0.00 O ATOM 0 H SER A 25 -3.216 -9.152 2.573 1.00 0.00 H new ATOM 0 HA SER A 25 -3.787 -9.023 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.815 -6.716 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.532 -6.779 0.048 1.00 0.00 H new ATOM 0 HG SER A 25 -6.105 -7.062 1.729 1.00 0.00 H new ATOM 355 N VAL A 26 -1.061 -8.406 1.168 1.00 0.00 N ATOM 356 CA VAL A 26 0.328 -7.989 1.019 1.00 0.00 C ATOM 357 C VAL A 26 0.890 -8.419 -0.330 1.00 0.00 C ATOM 358 O VAL A 26 1.880 -7.867 -0.807 1.00 0.00 O ATOM 359 CB VAL A 26 1.211 -8.572 2.139 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.490 -10.046 1.887 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.510 -7.788 2.256 1.00 0.00 C ATOM 0 H VAL A 26 -1.240 -8.994 1.982 1.00 0.00 H new ATOM 0 HA VAL A 26 0.340 -6.901 1.084 1.00 0.00 H new ATOM 0 HB VAL A 26 0.674 -8.485 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.115 -10.440 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.549 -10.595 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.007 -10.161 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.121 -8.213 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.054 -7.842 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.287 -6.746 2.487 1.00 0.00 H new ATOM 371 N GLY A 27 0.248 -9.409 -0.944 1.00 0.00 N ATOM 372 CA GLY A 27 0.697 -9.897 -2.235 1.00 0.00 C ATOM 373 C GLY A 27 0.296 -8.979 -3.373 1.00 0.00 C ATOM 374 O GLY A 27 0.868 -9.041 -4.461 1.00 0.00 O ATOM 0 H GLY A 27 -0.575 -9.882 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.782 -10.003 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.282 -10.890 -2.409 1.00 0.00 H new ATOM 378 N ARG A 28 -0.694 -8.127 -3.123 1.00 0.00 N ATOM 379 CA ARG A 28 -1.173 -7.196 -4.136 1.00 0.00 C ATOM 380 C ARG A 28 -0.527 -5.824 -3.964 1.00 0.00 C ATOM 381 O ARG A 28 -0.366 -5.077 -4.929 1.00 0.00 O ATOM 382 CB ARG A 28 -2.696 -7.067 -4.062 1.00 0.00 C ATOM 383 CG ARG A 28 -3.311 -6.389 -5.276 1.00 0.00 C ATOM 384 CD ARG A 28 -3.964 -7.399 -6.206 1.00 0.00 C ATOM 385 NE ARG A 28 -3.141 -7.674 -7.381 1.00 0.00 N ATOM 386 CZ ARG A 28 -2.163 -8.573 -7.398 1.00 0.00 C ATOM 387 NH1 ARG A 28 -1.887 -9.280 -6.311 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.458 -8.766 -8.505 1.00 0.00 N ATOM 0 H ARG A 28 -1.179 -8.063 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.895 -7.589 -5.114 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.131 -8.060 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.961 -6.502 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.053 -5.660 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.540 -5.840 -5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.144 -8.327 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.936 -7.023 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.327 -7.147 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.426 -9.135 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.135 -9.969 -6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.667 -8.224 -9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.707 -9.456 -8.518 1.00 0.00 H new ATOM 402 N ILE A 29 -0.161 -5.499 -2.728 1.00 0.00 N ATOM 403 CA ILE A 29 0.468 -4.219 -2.429 1.00 0.00 C ATOM 404 C ILE A 29 1.944 -4.230 -2.809 1.00 0.00 C ATOM 405 O ILE A 29 2.457 -3.262 -3.371 1.00 0.00 O ATOM 406 CB ILE A 29 0.336 -3.862 -0.937 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.131 -3.918 -0.505 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.921 -2.483 -0.669 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.320 -4.336 0.937 1.00 0.00 C ATOM 0 H ILE A 29 -0.290 -6.105 -1.918 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.052 -3.466 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 29 0.895 -4.592 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.583 -2.937 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.665 -4.615 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.820 -2.245 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.976 -2.475 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.386 -1.740 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.384 -4.354 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.898 -5.330 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.814 -3.626 1.591 1.00 0.00 H new ATOM 421 N ILE A 30 2.621 -5.330 -2.500 1.00 0.00 N ATOM 422 CA ILE A 30 4.039 -5.468 -2.812 1.00 0.00 C ATOM 423 C ILE A 30 4.241 -6.156 -4.158 1.00 0.00 C ATOM 424 O ILE A 30 5.283 -6.004 -4.794 1.00 0.00 O ATOM 425 CB ILE A 30 4.780 -6.266 -1.723 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.864 -5.451 -0.432 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.170 -6.653 -2.204 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.104 -4.590 -0.341 1.00 0.00 C ATOM 0 H ILE A 30 2.211 -6.139 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 30 4.452 -4.460 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 30 4.221 -7.179 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.983 -4.814 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.840 -6.131 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.681 -7.216 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.087 -7.268 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.739 -5.752 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.097 -4.040 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.990 -5.223 -0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.120 -3.885 -1.173 1.00 0.00 H new ATOM 440 N GLY A 31 3.235 -6.912 -4.588 1.00 0.00 N ATOM 441 CA GLY A 31 3.322 -7.610 -5.856 1.00 0.00 C ATOM 442 C GLY A 31 3.820 -9.034 -5.702 1.00 0.00 C ATOM 443 O GLY A 31 3.454 -9.727 -4.753 1.00 0.00 O ATOM 0 H GLY A 31 2.362 -7.053 -4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.340 -7.621 -6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.991 -7.065 -6.522 1.00 0.00 H new ATOM 447 N ARG A 32 4.657 -9.471 -6.638 1.00 0.00 N ATOM 448 CA ARG A 32 5.203 -10.822 -6.602 1.00 0.00 C ATOM 449 C ARG A 32 6.604 -10.826 -5.996 1.00 0.00 C ATOM 450 O ARG A 32 7.349 -11.796 -6.134 1.00 0.00 O ATOM 451 CB ARG A 32 5.245 -11.415 -8.012 1.00 0.00 C ATOM 452 CG ARG A 32 6.391 -10.888 -8.861 1.00 0.00 C ATOM 453 CD ARG A 32 6.228 -11.280 -10.321 1.00 0.00 C ATOM 454 NE ARG A 32 7.474 -11.778 -10.896 1.00 0.00 N ATOM 455 CZ ARG A 32 7.563 -12.307 -12.111 1.00 0.00 C ATOM 456 NH1 ARG A 32 6.484 -12.405 -12.876 1.00 0.00 N ATOM 457 NH2 ARG A 32 8.733 -12.738 -12.565 1.00 0.00 N ATOM 0 H ARG A 32 4.971 -8.909 -7.429 1.00 0.00 H new ATOM 0 HA ARG A 32 4.553 -11.433 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.327 -12.499 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.302 -11.200 -8.516 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.438 -9.802 -8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.336 -11.278 -8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.457 -12.046 -10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.885 -10.417 -10.892 1.00 0.00 H new ATOM 0 HE ARG A 32 8.323 -11.716 -10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.583 -12.074 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.555 -12.812 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.566 -12.663 -11.981 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.800 -13.144 -13.498 1.00 0.00 H new ATOM 471 N GLY A 33 6.955 -9.735 -5.323 1.00 0.00 N ATOM 472 CA GLY A 33 8.265 -9.633 -4.706 1.00 0.00 C ATOM 473 C GLY A 33 8.742 -8.199 -4.592 1.00 0.00 C ATOM 474 O GLY A 33 9.690 -7.908 -3.863 1.00 0.00 O ATOM 0 H GLY A 33 6.356 -8.920 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.231 -10.081 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.984 -10.207 -5.291 1.00 0.00 H new ATOM 478 N GLY A 34 8.086 -7.298 -5.318 1.00 0.00 N ATOM 479 CA GLY A 34 8.464 -5.898 -5.282 1.00 0.00 C ATOM 480 C GLY A 34 8.085 -5.163 -6.552 1.00 0.00 C ATOM 481 O GLY A 34 7.837 -3.957 -6.529 1.00 0.00 O ATOM 0 H GLY A 34 7.299 -7.514 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.984 -5.417 -4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.540 -5.819 -5.127 1.00 0.00 H new ATOM 485 N GLU A 35 8.040 -5.889 -7.665 1.00 0.00 N ATOM 486 CA GLU A 35 7.691 -5.297 -8.950 1.00 0.00 C ATOM 487 C GLU A 35 6.527 -4.321 -8.801 1.00 0.00 C ATOM 488 O GLU A 35 6.382 -3.383 -9.586 1.00 0.00 O ATOM 489 CB GLU A 35 7.328 -6.388 -9.959 1.00 0.00 C ATOM 490 CG GLU A 35 5.899 -6.886 -9.830 1.00 0.00 C ATOM 491 CD GLU A 35 4.955 -6.209 -10.806 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.266 -5.085 -11.250 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.905 -6.805 -11.125 1.00 0.00 O ATOM 0 H GLU A 35 8.241 -6.888 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 35 8.559 -4.749 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.480 -6.003 -10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.010 -7.229 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.877 -7.963 -9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.549 -6.714 -8.812 1.00 0.00 H new ATOM 500 N THR A 36 5.698 -4.547 -7.786 1.00 0.00 N ATOM 501 CA THR A 36 4.546 -3.692 -7.534 1.00 0.00 C ATOM 502 C THR A 36 4.882 -2.604 -6.519 1.00 0.00 C ATOM 503 O THR A 36 4.485 -1.449 -6.680 1.00 0.00 O ATOM 504 CB THR A 36 3.344 -4.504 -7.019 1.00 0.00 C ATOM 505 OG1 THR A 36 2.971 -5.493 -7.986 1.00 0.00 O ATOM 506 CG2 THR A 36 2.159 -3.595 -6.733 1.00 0.00 C ATOM 0 H THR A 36 5.804 -5.316 -7.125 1.00 0.00 H new ATOM 0 HA THR A 36 4.281 -3.230 -8.485 1.00 0.00 H new ATOM 0 HB THR A 36 3.636 -4.995 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.117 -5.898 -7.727 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.322 -4.192 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.437 -2.862 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.867 -3.079 -7.648 1.00 0.00 H new ATOM 514 N ILE A 37 5.614 -2.980 -5.477 1.00 0.00 N ATOM 515 CA ILE A 37 6.004 -2.035 -4.437 1.00 0.00 C ATOM 516 C ILE A 37 6.934 -0.961 -4.992 1.00 0.00 C ATOM 517 O ILE A 37 7.050 0.126 -4.426 1.00 0.00 O ATOM 518 CB ILE A 37 6.701 -2.747 -3.263 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.468 -1.976 -1.961 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.190 -2.891 -3.540 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.006 -1.805 -1.613 1.00 0.00 C ATOM 0 H ILE A 37 5.949 -3.932 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 37 5.089 -1.567 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 37 6.273 -3.744 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.969 -2.497 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.931 -0.993 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.669 -3.396 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.336 -3.477 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.633 -1.904 -3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.917 -1.250 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.504 -1.257 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.542 -2.785 -1.499 1.00 0.00 H new ATOM 533 N ARG A 38 7.594 -1.274 -6.102 1.00 0.00 N ATOM 534 CA ARG A 38 8.514 -0.335 -6.734 1.00 0.00 C ATOM 535 C ARG A 38 7.756 0.676 -7.591 1.00 0.00 C ATOM 536 O ARG A 38 8.010 1.878 -7.519 1.00 0.00 O ATOM 537 CB ARG A 38 9.532 -1.086 -7.593 1.00 0.00 C ATOM 538 CG ARG A 38 10.427 -2.023 -6.797 1.00 0.00 C ATOM 539 CD ARG A 38 11.803 -2.151 -7.431 1.00 0.00 C ATOM 540 NE ARG A 38 12.847 -2.369 -6.433 1.00 0.00 N ATOM 541 CZ ARG A 38 13.445 -1.386 -5.769 1.00 0.00 C ATOM 542 NH1 ARG A 38 13.103 -0.125 -5.995 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.387 -1.664 -4.877 1.00 0.00 N ATOM 0 H ARG A 38 7.509 -2.170 -6.582 1.00 0.00 H new ATOM 0 HA ARG A 38 9.041 0.205 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.001 -1.661 -8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.154 -0.363 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.528 -1.652 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.961 -3.006 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.800 -2.979 -8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.026 -1.247 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 38 13.132 -3.328 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.379 0.092 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.564 0.628 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.652 -2.633 -4.701 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.846 -0.909 -4.368 1.00 0.00 H new ATOM 557 N SER A 39 6.827 0.179 -8.400 1.00 0.00 N ATOM 558 CA SER A 39 6.037 1.037 -9.274 1.00 0.00 C ATOM 559 C SER A 39 5.292 2.096 -8.467 1.00 0.00 C ATOM 560 O SER A 39 4.890 3.130 -9.001 1.00 0.00 O ATOM 561 CB SER A 39 5.041 0.201 -10.080 1.00 0.00 C ATOM 562 OG SER A 39 4.710 0.838 -11.302 1.00 0.00 O ATOM 0 H SER A 39 6.603 -0.814 -8.468 1.00 0.00 H new ATOM 0 HA SER A 39 6.718 1.540 -9.960 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.467 -0.782 -10.283 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.137 0.042 -9.493 1.00 0.00 H new ATOM 0 HG SER A 39 4.073 0.282 -11.799 1.00 0.00 H new ATOM 568 N ILE A 40 5.112 1.829 -7.177 1.00 0.00 N ATOM 569 CA ILE A 40 4.418 2.760 -6.296 1.00 0.00 C ATOM 570 C ILE A 40 5.375 3.804 -5.733 1.00 0.00 C ATOM 571 O ILE A 40 5.116 5.005 -5.813 1.00 0.00 O ATOM 572 CB ILE A 40 3.735 2.024 -5.128 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.827 0.911 -5.657 1.00 0.00 C ATOM 574 CG2 ILE A 40 2.940 3.003 -4.278 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.484 -0.134 -4.619 1.00 0.00 C ATOM 0 H ILE A 40 5.437 0.977 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 40 3.657 3.257 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 40 4.506 1.572 -4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.905 1.354 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.316 0.426 -6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.463 2.468 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.610 3.763 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.176 3.481 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.838 -0.891 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.399 -0.604 -4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.967 0.339 -3.784 1.00 0.00 H new ATOM 587 N CYS A 41 6.484 3.339 -5.168 1.00 0.00 N ATOM 588 CA CYS A 41 7.482 4.233 -4.592 1.00 0.00 C ATOM 589 C CYS A 41 7.960 5.249 -5.624 1.00 0.00 C ATOM 590 O CYS A 41 8.311 6.379 -5.283 1.00 0.00 O ATOM 591 CB CYS A 41 8.670 3.429 -4.062 1.00 0.00 C ATOM 592 SG CYS A 41 9.950 3.099 -5.296 1.00 0.00 S ATOM 0 H CYS A 41 6.715 2.348 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 41 7.019 4.772 -3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.116 3.969 -3.227 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.306 2.480 -3.669 1.00 0.00 H new ATOM 0 HG CYS A 41 9.405 2.592 -6.362 1.00 0.00 H new ATOM 598 N LYS A 42 7.973 4.841 -6.889 1.00 0.00 N ATOM 599 CA LYS A 42 8.408 5.714 -7.972 1.00 0.00 C ATOM 600 C LYS A 42 7.298 6.683 -8.369 1.00 0.00 C ATOM 601 O LYS A 42 7.565 7.815 -8.770 1.00 0.00 O ATOM 602 CB LYS A 42 8.832 4.883 -9.185 1.00 0.00 C ATOM 603 CG LYS A 42 7.667 4.258 -9.933 1.00 0.00 C ATOM 604 CD LYS A 42 8.075 3.805 -11.324 1.00 0.00 C ATOM 605 CE LYS A 42 8.941 2.556 -11.271 1.00 0.00 C ATOM 606 NZ LYS A 42 10.191 2.714 -12.065 1.00 0.00 N ATOM 0 H LYS A 42 7.687 3.909 -7.189 1.00 0.00 H new ATOM 0 HA LYS A 42 9.262 6.292 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.394 5.517 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.507 4.093 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.287 3.406 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.853 4.979 -10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.184 3.606 -11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.620 4.606 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.195 2.334 -10.235 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.375 1.705 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.754 1.842 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.949 2.901 -13.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.744 3.510 -11.687 1.00 0.00 H new ATOM 620 N ALA A 43 6.055 6.231 -8.251 1.00 0.00 N ATOM 621 CA ALA A 43 4.905 7.059 -8.595 1.00 0.00 C ATOM 622 C ALA A 43 4.679 8.144 -7.548 1.00 0.00 C ATOM 623 O ALA A 43 4.270 9.258 -7.873 1.00 0.00 O ATOM 624 CB ALA A 43 3.660 6.198 -8.743 1.00 0.00 C ATOM 0 H ALA A 43 5.818 5.296 -7.920 1.00 0.00 H new ATOM 0 HA ALA A 43 5.111 7.547 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.809 6.829 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.818 5.463 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.459 5.684 -7.803 1.00 0.00 H new ATOM 630 N SER A 44 4.946 7.811 -6.289 1.00 0.00 N ATOM 631 CA SER A 44 4.767 8.756 -5.193 1.00 0.00 C ATOM 632 C SER A 44 6.100 9.379 -4.790 1.00 0.00 C ATOM 633 O SER A 44 6.163 10.549 -4.414 1.00 0.00 O ATOM 634 CB SER A 44 4.133 8.059 -3.988 1.00 0.00 C ATOM 635 OG SER A 44 4.953 7.001 -3.521 1.00 0.00 O ATOM 0 H SER A 44 5.287 6.893 -6.003 1.00 0.00 H new ATOM 0 HA SER A 44 4.103 9.549 -5.536 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.975 8.782 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.153 7.669 -4.263 1.00 0.00 H new ATOM 0 HG SER A 44 4.951 6.272 -4.176 1.00 0.00 H new ATOM 641 N GLY A 45 7.166 8.589 -4.873 1.00 0.00 N ATOM 642 CA GLY A 45 8.484 9.079 -4.514 1.00 0.00 C ATOM 643 C GLY A 45 8.843 8.774 -3.074 1.00 0.00 C ATOM 644 O GLY A 45 9.954 9.062 -2.630 1.00 0.00 O ATOM 0 H GLY A 45 7.140 7.618 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.227 8.630 -5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.524 10.156 -4.675 1.00 0.00 H new ATOM 648 N ALA A 46 7.900 8.192 -2.341 1.00 0.00 N ATOM 649 CA ALA A 46 8.122 7.848 -0.941 1.00 0.00 C ATOM 650 C ALA A 46 8.611 6.410 -0.800 1.00 0.00 C ATOM 651 O ALA A 46 8.057 5.494 -1.407 1.00 0.00 O ATOM 652 CB ALA A 46 6.848 8.056 -0.137 1.00 0.00 C ATOM 0 H ALA A 46 6.974 7.948 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 46 8.896 8.508 -0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.029 7.795 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.543 9.100 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.057 7.422 -0.538 1.00 0.00 H new ATOM 658 N LYS A 47 9.651 6.219 0.003 1.00 0.00 N ATOM 659 CA LYS A 47 10.214 4.893 0.225 1.00 0.00 C ATOM 660 C LYS A 47 9.242 4.013 1.005 1.00 0.00 C ATOM 661 O LYS A 47 8.907 4.308 2.153 1.00 0.00 O ATOM 662 CB LYS A 47 11.541 5.000 0.982 1.00 0.00 C ATOM 663 CG LYS A 47 12.723 4.427 0.219 1.00 0.00 C ATOM 664 CD LYS A 47 12.630 2.914 0.102 1.00 0.00 C ATOM 665 CE LYS A 47 13.998 2.288 -0.123 1.00 0.00 C ATOM 666 NZ LYS A 47 14.106 1.660 -1.469 1.00 0.00 N ATOM 0 H LYS A 47 10.122 6.967 0.512 1.00 0.00 H new ATOM 0 HA LYS A 47 10.393 4.434 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.738 6.048 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.449 4.481 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.763 4.868 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.650 4.698 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.186 2.504 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.968 2.652 -0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.769 3.051 -0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.184 1.537 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.053 1.245 -1.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.387 0.914 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.954 2.382 -2.202 1.00 0.00 H new ATOM 680 N ILE A 48 8.794 2.932 0.376 1.00 0.00 N ATOM 681 CA ILE A 48 7.864 2.009 1.011 1.00 0.00 C ATOM 682 C ILE A 48 8.511 0.648 1.244 1.00 0.00 C ATOM 683 O ILE A 48 8.931 -0.023 0.299 1.00 0.00 O ATOM 684 CB ILE A 48 6.590 1.821 0.165 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.013 3.180 -0.234 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.560 1.006 0.933 1.00 0.00 C ATOM 687 CD1 ILE A 48 5.676 3.284 -1.706 1.00 0.00 C ATOM 0 H ILE A 48 9.061 2.674 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 48 7.592 2.448 1.971 1.00 0.00 H new ATOM 0 HB ILE A 48 6.850 1.277 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.113 3.370 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.730 3.960 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.666 0.882 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.975 0.027 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.300 1.525 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.272 4.274 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.578 3.126 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.936 2.527 -1.964 1.00 0.00 H new ATOM 699 N THR A 49 8.589 0.243 2.508 1.00 0.00 N ATOM 700 CA THR A 49 9.184 -1.038 2.865 1.00 0.00 C ATOM 701 C THR A 49 8.274 -1.827 3.800 1.00 0.00 C ATOM 702 O THR A 49 7.445 -1.251 4.506 1.00 0.00 O ATOM 703 CB THR A 49 10.556 -0.850 3.541 1.00 0.00 C ATOM 704 OG1 THR A 49 11.244 -2.104 3.610 1.00 0.00 O ATOM 705 CG2 THR A 49 10.396 -0.276 4.940 1.00 0.00 C ATOM 0 H THR A 49 8.247 0.785 3.302 1.00 0.00 H new ATOM 0 HA THR A 49 9.316 -1.594 1.937 1.00 0.00 H new ATOM 0 HB THR A 49 11.138 -0.149 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.116 -1.976 4.039 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.378 -0.152 5.397 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.898 0.692 4.881 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.797 -0.956 5.546 1.00 0.00 H new ATOM 713 N CYS A 50 8.434 -3.144 3.800 1.00 0.00 N ATOM 714 CA CYS A 50 7.625 -4.013 4.649 1.00 0.00 C ATOM 715 C CYS A 50 8.400 -4.431 5.894 1.00 0.00 C ATOM 716 O CYS A 50 9.594 -4.722 5.826 1.00 0.00 O ATOM 717 CB CYS A 50 7.180 -5.251 3.870 1.00 0.00 C ATOM 718 SG CYS A 50 8.370 -6.612 3.906 1.00 0.00 S ATOM 0 H CYS A 50 9.116 -3.635 3.222 1.00 0.00 H new ATOM 0 HA CYS A 50 6.743 -3.455 4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.231 -5.601 4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.998 -4.969 2.833 1.00 0.00 H new ATOM 0 HG CYS A 50 9.396 -6.272 4.629 1.00 0.00 H new ATOM 858 N LEU A 60 0.153 -13.100 10.903 1.00 0.00 N ATOM 859 CA LEU A 60 -1.222 -12.674 10.667 1.00 0.00 C ATOM 860 C LEU A 60 -1.277 -11.567 9.619 1.00 0.00 C ATOM 861 O LEU A 60 -1.899 -11.722 8.568 1.00 0.00 O ATOM 862 CB LEU A 60 -1.857 -12.189 11.971 1.00 0.00 C ATOM 863 CG LEU A 60 -3.090 -12.960 12.444 1.00 0.00 C ATOM 864 CD1 LEU A 60 -2.695 -14.041 13.438 1.00 0.00 C ATOM 865 CD2 LEU A 60 -4.108 -12.011 13.061 1.00 0.00 C ATOM 0 HA LEU A 60 -1.783 -13.531 10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.103 -12.232 12.757 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.132 -11.141 11.850 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.548 -13.441 11.580 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.585 -14.579 13.763 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.004 -14.737 12.963 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.212 -13.583 14.301 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.979 -12.577 13.392 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.660 -11.502 13.914 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.415 -11.274 12.319 1.00 0.00 H new ATOM 877 N SER A 61 -0.619 -10.449 9.911 1.00 0.00 N ATOM 878 CA SER A 61 -0.595 -9.314 8.996 1.00 0.00 C ATOM 879 C SER A 61 0.806 -8.717 8.909 1.00 0.00 C ATOM 880 O SER A 61 1.617 -8.873 9.822 1.00 0.00 O ATOM 881 CB SER A 61 -1.591 -8.245 9.448 1.00 0.00 C ATOM 882 OG SER A 61 -1.400 -7.914 10.812 1.00 0.00 O ATOM 0 H SER A 61 -0.095 -10.305 10.774 1.00 0.00 H new ATOM 0 HA SER A 61 -0.882 -9.670 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.474 -7.352 8.834 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.609 -8.605 9.297 1.00 0.00 H new ATOM 0 HG SER A 61 -2.048 -7.228 11.076 1.00 0.00 H new ATOM 888 N ARG A 62 1.083 -8.032 7.804 1.00 0.00 N ATOM 889 CA ARG A 62 2.385 -7.411 7.596 1.00 0.00 C ATOM 890 C ARG A 62 2.324 -5.912 7.872 1.00 0.00 C ATOM 891 O ARG A 62 1.244 -5.347 8.051 1.00 0.00 O ATOM 892 CB ARG A 62 2.870 -7.658 6.166 1.00 0.00 C ATOM 893 CG ARG A 62 3.710 -8.915 6.015 1.00 0.00 C ATOM 894 CD ARG A 62 5.192 -8.587 5.923 1.00 0.00 C ATOM 895 NE ARG A 62 5.816 -9.196 4.751 1.00 0.00 N ATOM 896 CZ ARG A 62 5.819 -8.637 3.546 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.235 -7.462 3.356 1.00 0.00 N ATOM 898 NH2 ARG A 62 6.407 -9.252 2.529 1.00 0.00 N ATOM 0 H ARG A 62 0.423 -7.893 7.039 1.00 0.00 H new ATOM 0 HA ARG A 62 3.090 -7.863 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.006 -7.728 5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.455 -6.799 5.836 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.534 -9.575 6.864 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.400 -9.456 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.322 -7.506 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.697 -8.935 6.824 1.00 0.00 H new ATOM 0 HE ARG A 62 6.275 -10.100 4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.782 -6.985 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.239 -7.035 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.858 -10.156 2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.408 -8.821 1.604 1.00 0.00 H new ATOM 912 N LEU A 63 3.488 -5.274 7.906 1.00 0.00 N ATOM 913 CA LEU A 63 3.567 -3.839 8.160 1.00 0.00 C ATOM 914 C LEU A 63 4.301 -3.124 7.030 1.00 0.00 C ATOM 915 O LEU A 63 5.105 -3.730 6.320 1.00 0.00 O ATOM 916 CB LEU A 63 4.276 -3.576 9.491 1.00 0.00 C ATOM 917 CG LEU A 63 3.675 -2.474 10.364 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.279 -2.510 11.760 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.888 -1.109 9.724 1.00 0.00 C ATOM 0 H LEU A 63 4.390 -5.727 7.761 1.00 0.00 H new ATOM 0 HA LEU A 63 2.551 -3.448 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.284 -4.503 10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.315 -3.321 9.282 1.00 0.00 H new ATOM 0 HG LEU A 63 2.603 -2.649 10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.839 -1.719 12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.074 -3.477 12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.357 -2.360 11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.454 -0.337 10.360 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.956 -0.924 9.607 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.407 -1.087 8.746 1.00 0.00 H new ATOM 931 N ILE A 64 4.020 -1.836 6.871 1.00 0.00 N ATOM 932 CA ILE A 64 4.656 -1.040 5.829 1.00 0.00 C ATOM 933 C ILE A 64 5.258 0.239 6.405 1.00 0.00 C ATOM 934 O ILE A 64 4.787 0.759 7.417 1.00 0.00 O ATOM 935 CB ILE A 64 3.659 -0.669 4.717 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.189 -1.926 3.982 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.292 0.315 3.743 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.235 -2.511 3.058 1.00 0.00 C ATOM 0 H ILE A 64 3.356 -1.321 7.450 1.00 0.00 H new ATOM 0 HA ILE A 64 5.450 -1.653 5.403 1.00 0.00 H new ATOM 0 HB ILE A 64 2.792 -0.192 5.173 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.901 -2.680 4.715 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.297 -1.687 3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.574 0.567 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.581 1.220 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.175 -0.137 3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.834 -3.399 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.506 -1.774 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.119 -2.782 3.635 1.00 0.00 H new ATOM 950 N LYS A 65 6.299 0.742 5.752 1.00 0.00 N ATOM 951 CA LYS A 65 6.965 1.961 6.195 1.00 0.00 C ATOM 952 C LYS A 65 7.102 2.955 5.046 1.00 0.00 C ATOM 953 O LYS A 65 7.879 2.738 4.115 1.00 0.00 O ATOM 954 CB LYS A 65 8.345 1.633 6.768 1.00 0.00 C ATOM 955 CG LYS A 65 8.420 1.752 8.281 1.00 0.00 C ATOM 956 CD LYS A 65 9.724 1.189 8.820 1.00 0.00 C ATOM 957 CE LYS A 65 9.506 -0.140 9.529 1.00 0.00 C ATOM 958 NZ LYS A 65 9.740 -0.031 10.996 1.00 0.00 N ATOM 0 H LYS A 65 6.701 0.324 4.913 1.00 0.00 H new ATOM 0 HA LYS A 65 6.354 2.416 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.618 0.618 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.082 2.301 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.328 2.799 8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.580 1.222 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.430 1.054 8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.172 1.903 9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.488 -0.485 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.176 -0.890 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.581 -0.957 11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.719 0.274 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.083 0.666 11.401 1.00 0.00 H new ATOM 972 N ILE A 66 6.344 4.043 5.117 1.00 0.00 N ATOM 973 CA ILE A 66 6.384 5.071 4.084 1.00 0.00 C ATOM 974 C ILE A 66 7.195 6.279 4.541 1.00 0.00 C ATOM 975 O ILE A 66 6.873 6.911 5.548 1.00 0.00 O ATOM 976 CB ILE A 66 4.968 5.534 3.696 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.106 4.334 3.296 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.034 6.546 2.562 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.726 4.348 3.914 1.00 0.00 C ATOM 0 H ILE A 66 5.694 4.236 5.879 1.00 0.00 H new ATOM 0 HA ILE A 66 6.863 4.624 3.213 1.00 0.00 H new ATOM 0 HB ILE A 66 4.510 6.015 4.560 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.009 4.313 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.617 3.417 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.025 6.864 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.616 7.411 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.508 6.089 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.172 3.468 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.814 4.338 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.196 5.248 3.601 1.00 0.00 H new ATOM 991 N SER A 67 8.246 6.597 3.792 1.00 0.00 N ATOM 992 CA SER A 67 9.104 7.729 4.122 1.00 0.00 C ATOM 993 C SER A 67 9.263 8.657 2.921 1.00 0.00 C ATOM 994 O SER A 67 9.224 8.217 1.772 1.00 0.00 O ATOM 995 CB SER A 67 10.476 7.238 4.587 1.00 0.00 C ATOM 996 OG SER A 67 10.961 6.207 3.745 1.00 0.00 O ATOM 0 H SER A 67 8.524 6.087 2.953 1.00 0.00 H new ATOM 0 HA SER A 67 8.633 8.287 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.181 8.069 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.407 6.873 5.612 1.00 0.00 H new ATOM 0 HG SER A 67 11.840 5.912 4.063 1.00 0.00 H new ATOM 1002 N GLY A 68 9.445 9.945 3.196 1.00 0.00 N ATOM 1003 CA GLY A 68 9.608 10.916 2.129 1.00 0.00 C ATOM 1004 C GLY A 68 9.052 12.277 2.495 1.00 0.00 C ATOM 1005 O GLY A 68 8.818 12.567 3.669 1.00 0.00 O ATOM 0 H GLY A 68 9.483 10.334 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.667 11.012 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.108 10.552 1.231 1.00 0.00 H new ATOM 1009 N THR A 69 8.841 13.119 1.487 1.00 0.00 N ATOM 1010 CA THR A 69 8.312 14.460 1.709 1.00 0.00 C ATOM 1011 C THR A 69 6.807 14.424 1.947 1.00 0.00 C ATOM 1012 O THR A 69 6.103 13.576 1.400 1.00 0.00 O ATOM 1013 CB THR A 69 8.609 15.385 0.514 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.638 15.180 -0.518 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.004 15.127 -0.036 1.00 0.00 C ATOM 0 H THR A 69 9.028 12.896 0.509 1.00 0.00 H new ATOM 0 HA THR A 69 8.808 14.853 2.596 1.00 0.00 H new ATOM 0 HB THR A 69 8.557 16.417 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.920 15.650 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.191 15.792 -0.879 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.743 15.313 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.079 14.091 -0.367 1.00 0.00 H new ATOM 1023 N GLN A 70 6.321 15.350 2.768 1.00 0.00 N ATOM 1024 CA GLN A 70 4.898 15.424 3.078 1.00 0.00 C ATOM 1025 C GLN A 70 4.055 15.164 1.834 1.00 0.00 C ATOM 1026 O GLN A 70 2.917 14.702 1.926 1.00 0.00 O ATOM 1027 CB GLN A 70 4.552 16.793 3.665 1.00 0.00 C ATOM 1028 CG GLN A 70 3.275 16.797 4.489 1.00 0.00 C ATOM 1029 CD GLN A 70 3.481 16.253 5.889 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.090 16.905 6.738 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.974 15.051 6.138 1.00 0.00 N ATOM 0 H GLN A 70 6.891 16.059 3.230 1.00 0.00 H new ATOM 0 HA GLN A 70 4.673 14.653 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.379 17.130 4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.452 17.513 2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.891 17.815 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.517 16.202 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.476 14.546 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.082 14.633 7.062 1.00 0.00 H new ATOM 1040 N LYS A 71 4.620 15.463 0.669 1.00 0.00 N ATOM 1041 CA LYS A 71 3.922 15.261 -0.595 1.00 0.00 C ATOM 1042 C LYS A 71 3.820 13.776 -0.929 1.00 0.00 C ATOM 1043 O LYS A 71 2.737 13.270 -1.219 1.00 0.00 O ATOM 1044 CB LYS A 71 4.645 16.000 -1.724 1.00 0.00 C ATOM 1045 CG LYS A 71 4.273 17.470 -1.824 1.00 0.00 C ATOM 1046 CD LYS A 71 5.237 18.228 -2.720 1.00 0.00 C ATOM 1047 CE LYS A 71 4.670 19.578 -3.134 1.00 0.00 C ATOM 1048 NZ LYS A 71 4.944 19.879 -4.566 1.00 0.00 N ATOM 0 H LYS A 71 5.560 15.846 0.574 1.00 0.00 H new ATOM 0 HA LYS A 71 2.914 15.663 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.721 15.916 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.418 15.511 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.260 17.564 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.273 17.915 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.182 18.374 -2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.452 17.635 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.594 19.589 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.102 20.360 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.542 20.807 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.971 19.894 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.510 19.147 -5.164 1.00 0.00 H new ATOM 1062 N GLU A 72 4.955 13.086 -0.885 1.00 0.00 N ATOM 1063 CA GLU A 72 4.991 11.658 -1.183 1.00 0.00 C ATOM 1064 C GLU A 72 4.320 10.854 -0.074 1.00 0.00 C ATOM 1065 O GLU A 72 3.281 10.228 -0.285 1.00 0.00 O ATOM 1066 CB GLU A 72 6.435 11.189 -1.365 1.00 0.00 C ATOM 1067 CG GLU A 72 7.329 12.217 -2.039 1.00 0.00 C ATOM 1068 CD GLU A 72 6.718 12.779 -3.308 1.00 0.00 C ATOM 1069 OE1 GLU A 72 5.617 13.363 -3.227 1.00 0.00 O ATOM 1070 OE2 GLU A 72 7.339 12.634 -4.381 1.00 0.00 O ATOM 0 H GLU A 72 5.860 13.491 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 72 4.443 11.493 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.853 10.940 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.439 10.273 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.527 13.033 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.290 11.759 -2.275 1.00 0.00 H new ATOM 1077 N VAL A 73 4.922 10.875 1.112 1.00 0.00 N ATOM 1078 CA VAL A 73 4.383 10.150 2.256 1.00 0.00 C ATOM 1079 C VAL A 73 2.862 10.240 2.298 1.00 0.00 C ATOM 1080 O VAL A 73 2.189 9.342 2.805 1.00 0.00 O ATOM 1081 CB VAL A 73 4.955 10.686 3.582 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.350 9.945 4.764 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.472 10.572 3.591 1.00 0.00 C ATOM 0 H VAL A 73 5.783 11.386 1.305 1.00 0.00 H new ATOM 0 HA VAL A 73 4.679 9.108 2.137 1.00 0.00 H new ATOM 0 HB VAL A 73 4.691 11.740 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.767 10.338 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.269 10.083 4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.581 8.883 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.860 10.955 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.759 9.527 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.885 11.153 2.766 1.00 0.00 H new ATOM 1093 N ALA A 74 2.324 11.331 1.762 1.00 0.00 N ATOM 1094 CA ALA A 74 0.881 11.539 1.736 1.00 0.00 C ATOM 1095 C ALA A 74 0.261 10.928 0.484 1.00 0.00 C ATOM 1096 O ALA A 74 -0.821 10.346 0.537 1.00 0.00 O ATOM 1097 CB ALA A 74 0.561 13.025 1.816 1.00 0.00 C ATOM 0 H ALA A 74 2.866 12.085 1.340 1.00 0.00 H new ATOM 0 HA ALA A 74 0.450 11.039 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.520 13.166 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.963 13.434 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.010 13.540 0.967 1.00 0.00 H new ATOM 1103 N ALA A 75 0.955 11.065 -0.641 1.00 0.00 N ATOM 1104 CA ALA A 75 0.473 10.525 -1.907 1.00 0.00 C ATOM 1105 C ALA A 75 0.623 9.008 -1.949 1.00 0.00 C ATOM 1106 O ALA A 75 -0.345 8.286 -2.184 1.00 0.00 O ATOM 1107 CB ALA A 75 1.216 11.164 -3.071 1.00 0.00 C ATOM 0 H ALA A 75 1.853 11.545 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.587 10.761 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.846 10.751 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.053 12.242 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.282 10.957 -2.979 1.00 0.00 H new ATOM 1113 N ALA A 76 1.843 8.533 -1.723 1.00 0.00 N ATOM 1114 CA ALA A 76 2.119 7.101 -1.734 1.00 0.00 C ATOM 1115 C ALA A 76 1.134 6.345 -0.851 1.00 0.00 C ATOM 1116 O ALA A 76 0.643 5.278 -1.221 1.00 0.00 O ATOM 1117 CB ALA A 76 3.548 6.836 -1.282 1.00 0.00 C ATOM 0 H ALA A 76 2.656 9.118 -1.530 1.00 0.00 H new ATOM 0 HA ALA A 76 2.000 6.741 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.741 5.763 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.242 7.337 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.686 7.217 -0.270 1.00 0.00 H new ATOM 1123 N LYS A 77 0.848 6.902 0.321 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.080 6.281 1.259 1.00 0.00 C ATOM 1125 C LYS A 77 -1.353 5.834 0.548 1.00 0.00 C ATOM 1126 O LYS A 77 -1.940 4.808 0.893 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.429 7.257 2.385 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.835 6.572 3.679 1.00 0.00 C ATOM 1129 CD LYS A 77 0.110 6.924 4.816 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.633 7.568 5.978 1.00 0.00 C ATOM 1131 NZ LYS A 77 -1.072 8.954 5.655 1.00 0.00 N ATOM 0 H LYS A 77 1.246 7.784 0.644 1.00 0.00 H new ATOM 0 HA LYS A 77 0.406 5.403 1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.431 7.899 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.242 7.904 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.851 6.866 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.844 5.492 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.617 6.023 5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.880 7.604 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.502 6.962 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.012 7.587 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.574 9.358 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.241 9.539 5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.708 8.934 4.833 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.774 6.608 -0.447 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.977 6.289 -1.207 1.00 0.00 C ATOM 1147 C HIS A 78 -2.718 5.138 -2.176 1.00 0.00 C ATOM 1148 O HIS A 78 -3.390 4.107 -2.125 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.461 7.520 -1.976 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.849 7.377 -2.521 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.843 8.306 -2.299 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.405 6.408 -3.284 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.952 7.914 -2.901 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.713 6.765 -3.506 1.00 0.00 N ATOM 0 H HIS A 78 -1.300 7.460 -0.746 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.751 5.982 -0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.426 8.387 -1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.775 7.717 -2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.912 5.519 -3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.893 8.443 -2.899 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.390 6.229 -4.050 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.742 5.323 -3.057 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.394 4.300 -4.038 1.00 0.00 C ATOM 1164 C LEU A 79 -1.280 2.930 -3.379 1.00 0.00 C ATOM 1165 O LEU A 79 -1.760 1.930 -3.915 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.079 4.657 -4.732 1.00 0.00 C ATOM 1167 CG LEU A 79 0.007 6.064 -5.324 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.405 6.333 -5.861 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.032 6.248 -6.420 1.00 0.00 C ATOM 0 H LEU A 79 -1.178 6.171 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.190 4.259 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.732 4.536 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.094 3.937 -5.532 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.200 6.783 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.447 7.339 -6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.129 6.246 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.642 5.607 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.955 7.255 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.858 5.520 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.029 6.100 -6.005 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.642 2.891 -2.214 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.468 1.644 -1.481 1.00 0.00 C ATOM 1183 C ILE A 80 -1.813 1.043 -1.088 1.00 0.00 C ATOM 1184 O ILE A 80 -2.006 -0.171 -1.155 1.00 0.00 O ATOM 1185 CB ILE A 80 0.379 1.852 -0.210 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.777 2.351 -0.579 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.466 0.558 0.586 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.295 3.432 0.343 1.00 0.00 C ATOM 0 H ILE A 80 -0.237 3.709 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 80 0.053 0.957 -2.148 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.104 2.606 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.470 1.510 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.760 2.733 -1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.067 0.721 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.536 0.241 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.929 -0.216 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.291 3.738 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.624 4.290 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.345 3.048 1.362 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.742 1.902 -0.681 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.071 1.456 -0.280 1.00 0.00 C ATOM 1202 C LEU A 81 -4.843 0.901 -1.474 1.00 0.00 C ATOM 1203 O LEU A 81 -5.626 -0.037 -1.335 1.00 0.00 O ATOM 1204 CB LEU A 81 -4.849 2.613 0.350 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.770 2.723 1.873 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -4.539 4.166 2.293 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -6.038 2.176 2.514 1.00 0.00 C ATOM 0 H LEU A 81 -2.599 2.910 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.954 0.660 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.486 3.546 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.897 2.517 0.066 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.925 2.126 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.486 4.224 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.603 4.524 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.362 4.785 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.964 2.262 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.898 2.746 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.161 1.128 2.241 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.612 1.485 -2.644 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.285 1.047 -3.862 1.00 0.00 C ATOM 1221 C GLU A 82 -5.118 -0.456 -4.065 1.00 0.00 C ATOM 1222 O GLU A 82 -5.962 -1.109 -4.677 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.736 1.801 -5.075 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.185 3.251 -5.145 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.866 3.588 -6.457 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -5.276 3.304 -7.521 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -6.989 4.133 -6.421 1.00 0.00 O ATOM 0 H GLU A 82 -3.965 2.262 -2.775 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.348 1.267 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.647 1.768 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.050 1.288 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.869 3.456 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.321 3.902 -5.011 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.021 -0.999 -3.547 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.741 -2.423 -3.669 1.00 0.00 C ATOM 1236 C LYS A 83 -4.439 -3.212 -2.567 1.00 0.00 C ATOM 1237 O LYS A 83 -4.895 -4.335 -2.786 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.232 -2.675 -3.612 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.531 -2.475 -4.945 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.632 -1.035 -5.418 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.722 -0.773 -6.609 1.00 0.00 C ATOM 1242 NZ LYS A 83 -1.463 -0.839 -7.899 1.00 0.00 N ATOM 0 H LYS A 83 -3.311 -0.472 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.124 -2.760 -4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.788 -2.007 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.055 -3.694 -3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.482 -2.755 -4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.972 -3.136 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.663 -0.812 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.367 -0.363 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.261 0.209 -6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.086 -1.505 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.808 -0.655 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.882 -1.784 -8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.218 -0.124 -7.903 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.523 -2.617 -1.381 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.169 -3.263 -0.245 1.00 0.00 C ATOM 1258 C VAL A 84 -6.636 -3.556 -0.542 1.00 0.00 C ATOM 1259 O VAL A 84 -7.135 -4.643 -0.247 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.076 -2.394 1.023 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.030 -2.904 2.092 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.648 -2.361 1.542 1.00 0.00 C ATOM 0 H VAL A 84 -4.151 -1.688 -1.182 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.642 -4.201 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.368 -1.376 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.950 -2.277 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.052 -2.869 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.773 -3.932 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.601 -1.742 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.325 -3.374 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.993 -1.943 0.778 1.00 0.00 H new ATOM 1272 N SER A 85 -7.323 -2.580 -1.126 1.00 0.00 N ATOM 1273 CA SER A 85 -8.734 -2.731 -1.459 1.00 0.00 C ATOM 1274 C SER A 85 -8.914 -3.678 -2.642 1.00 0.00 C ATOM 1275 O SER A 85 -9.964 -4.302 -2.797 1.00 0.00 O ATOM 1276 CB SER A 85 -9.353 -1.369 -1.782 1.00 0.00 C ATOM 1277 OG SER A 85 -9.824 -0.732 -0.607 1.00 0.00 O ATOM 0 H SER A 85 -6.925 -1.675 -1.378 1.00 0.00 H new ATOM 0 HA SER A 85 -9.243 -3.157 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.612 -0.736 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.176 -1.497 -2.485 1.00 0.00 H new ATOM 0 HG SER A 85 -10.213 0.137 -0.840 1.00 0.00 H new ATOM 1283 N GLU A 86 -7.883 -3.778 -3.474 1.00 0.00 N ATOM 1284 CA GLU A 86 -7.928 -4.648 -4.644 1.00 0.00 C ATOM 1285 C GLU A 86 -8.012 -6.114 -4.230 1.00 0.00 C ATOM 1286 O GLU A 86 -9.017 -6.782 -4.474 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.693 -4.425 -5.520 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.932 -3.467 -6.676 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.599 -4.082 -8.021 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -6.912 -5.275 -8.223 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -6.026 -3.370 -8.873 1.00 0.00 O ATOM 0 H GLU A 86 -7.007 -3.268 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.822 -4.398 -5.216 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.883 -4.039 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.361 -5.384 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.976 -3.153 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.329 -2.571 -6.531 1.00 0.00 H new ATOM 1298 N ASP A 87 -6.950 -6.607 -3.602 1.00 0.00 N ATOM 1299 CA ASP A 87 -6.905 -7.993 -3.152 1.00 0.00 C ATOM 1300 C ASP A 87 -8.047 -8.291 -2.186 1.00 0.00 C ATOM 1301 O ASP A 87 -8.641 -9.368 -2.225 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.563 -8.289 -2.480 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.124 -9.728 -2.672 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -5.677 -10.614 -1.986 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.229 -9.969 -3.508 1.00 0.00 O ATOM 0 H ASP A 87 -6.110 -6.068 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.017 -8.635 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.802 -7.623 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.639 -8.074 -1.414 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.349 -7.328 -1.320 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.419 -7.488 -0.343 1.00 0.00 C ATOM 1312 C GLU A 88 -10.676 -8.050 -1.000 1.00 0.00 C ATOM 1313 O GLU A 88 -11.289 -8.986 -0.489 1.00 0.00 O ATOM 1314 CB GLU A 88 -9.735 -6.148 0.325 1.00 0.00 C ATOM 1315 CG GLU A 88 -10.997 -6.172 1.171 1.00 0.00 C ATOM 1316 CD GLU A 88 -10.702 -6.197 2.658 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.070 -5.240 3.154 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -11.103 -7.173 3.326 1.00 0.00 O ATOM 0 H GLU A 88 -7.868 -6.430 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.080 -8.193 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.893 -5.857 0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.838 -5.383 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.602 -5.296 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.590 -7.048 0.907 1.00 0.00 H new