USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 1.02 (180deg=0.471) USER MOD Single : A 20 ASN :FLIP amide:sc= -3.3 F(o=-4.5!,f=-3.3) USER MOD Single : A 22 THR OG1 : rot -107:sc= -0.186 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 97:sc= 1.01 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.8!) USER MOD Single : A 75 MET CE :methyl -129:sc= -2.13! (180deg=-7.1!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.174 12.411 -5.041 1.00 0.00 N ATOM 145 CA ILE A 14 3.852 11.830 -4.846 1.00 0.00 C ATOM 146 C ILE A 14 3.860 10.815 -3.708 1.00 0.00 C ATOM 147 O ILE A 14 4.809 10.046 -3.553 1.00 0.00 O ATOM 148 CB ILE A 14 3.345 11.142 -6.128 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.182 12.167 -7.252 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.028 10.429 -5.860 1.00 0.00 C ATOM 151 CD1 ILE A 14 1.919 12.992 -7.141 1.00 0.00 C ATOM 0 HA ILE A 14 3.181 12.651 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 14 4.081 10.401 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.043 12.835 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.183 11.647 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.682 9.948 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.173 9.675 -5.086 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.284 11.152 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.871 13.697 -7.971 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.051 12.334 -7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.924 13.541 -6.199 1.00 0.00 H new ATOM 163 N THR A 15 2.794 10.818 -2.913 1.00 0.00 N ATOM 164 CA THR A 15 2.678 9.898 -1.789 1.00 0.00 C ATOM 165 C THR A 15 1.397 9.075 -1.882 1.00 0.00 C ATOM 166 O THR A 15 0.349 9.583 -2.284 1.00 0.00 O ATOM 167 CB THR A 15 2.695 10.649 -0.444 1.00 0.00 C ATOM 168 OG1 THR A 15 3.822 11.531 -0.390 1.00 0.00 O ATOM 169 CG2 THR A 15 2.753 9.672 0.721 1.00 0.00 C ATOM 0 H THR A 15 1.999 11.447 -3.027 1.00 0.00 H new ATOM 0 HA THR A 15 3.539 9.232 -1.836 1.00 0.00 H new ATOM 0 HB THR A 15 1.776 11.229 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.825 12.006 0.467 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.764 10.226 1.660 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.879 9.021 0.694 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.657 9.068 0.645 1.00 0.00 H new ATOM 177 N LEU A 16 1.488 7.804 -1.508 1.00 0.00 N ATOM 178 CA LEU A 16 0.336 6.910 -1.549 1.00 0.00 C ATOM 179 C LEU A 16 0.150 6.200 -0.212 1.00 0.00 C ATOM 180 O LEU A 16 1.070 5.560 0.297 1.00 0.00 O ATOM 181 CB LEU A 16 0.503 5.880 -2.668 1.00 0.00 C ATOM 182 CG LEU A 16 0.185 6.367 -4.082 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.643 5.348 -5.113 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.304 6.645 -4.228 1.00 0.00 C ATOM 0 H LEU A 16 2.348 7.369 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.552 7.511 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.532 5.520 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.137 5.026 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 16 0.726 7.297 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.408 5.712 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.719 5.199 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.130 4.401 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.512 6.991 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.865 5.731 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.603 7.413 -3.514 1.00 0.00 H new ATOM 196 N LYS A 17 -1.047 6.316 0.352 1.00 0.00 N ATOM 197 CA LYS A 17 -1.357 5.683 1.628 1.00 0.00 C ATOM 198 C LYS A 17 -2.021 4.326 1.416 1.00 0.00 C ATOM 199 O LYS A 17 -3.088 4.234 0.808 1.00 0.00 O ATOM 200 CB LYS A 17 -2.271 6.585 2.461 1.00 0.00 C ATOM 201 CG LYS A 17 -2.859 5.896 3.680 1.00 0.00 C ATOM 202 CD LYS A 17 -3.126 6.884 4.804 1.00 0.00 C ATOM 203 CE LYS A 17 -3.789 6.208 5.994 1.00 0.00 C ATOM 204 NZ LYS A 17 -5.274 6.237 5.892 1.00 0.00 N ATOM 0 H LYS A 17 -1.819 6.843 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.421 5.530 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.707 7.459 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.084 6.946 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.788 5.397 3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.174 5.123 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.188 7.340 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.764 7.688 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.450 5.174 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.478 6.705 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.690 6.021 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.583 7.182 5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.588 5.528 5.199 1.00 0.00 H new ATOM 218 N VAL A 18 -1.385 3.275 1.922 1.00 0.00 N ATOM 219 CA VAL A 18 -1.915 1.923 1.789 1.00 0.00 C ATOM 220 C VAL A 18 -2.563 1.457 3.088 1.00 0.00 C ATOM 221 O VAL A 18 -1.881 1.226 4.087 1.00 0.00 O ATOM 222 CB VAL A 18 -0.813 0.924 1.392 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.425 -0.373 0.884 1.00 0.00 C ATOM 224 CG2 VAL A 18 0.107 1.534 0.345 1.00 0.00 C ATOM 0 H VAL A 18 -0.501 3.333 2.428 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.667 1.955 1.001 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.219 0.695 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.631 -1.067 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.039 -0.817 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.045 -0.166 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.880 0.814 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.472 1.793 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.573 2.433 0.749 1.00 0.00 H new ATOM 234 N ASP A 19 -3.885 1.322 3.068 1.00 0.00 N ATOM 235 CA ASP A 19 -4.626 0.882 4.244 1.00 0.00 C ATOM 236 C ASP A 19 -5.090 -0.563 4.085 1.00 0.00 C ATOM 237 O ASP A 19 -4.844 -1.194 3.058 1.00 0.00 O ATOM 238 CB ASP A 19 -5.830 1.794 4.485 1.00 0.00 C ATOM 239 CG ASP A 19 -5.453 3.072 5.206 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.122 4.064 4.523 1.00 0.00 O ATOM 241 OD2 ASP A 19 -5.489 3.082 6.454 1.00 0.00 O ATOM 0 H ASP A 19 -4.465 1.511 2.250 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.960 0.938 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.291 2.042 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.577 1.257 5.070 1.00 0.00 H new ATOM 246 N ASN A 20 -5.762 -1.080 5.109 1.00 0.00 N ATOM 247 CA ASN A 20 -6.258 -2.450 5.084 1.00 0.00 C ATOM 248 C ASN A 20 -5.115 -3.440 4.877 1.00 0.00 C ATOM 249 O ASN A 20 -5.255 -4.424 4.149 1.00 0.00 O ATOM 250 CB ASN A 20 -7.299 -2.617 3.975 1.00 0.00 C ATOM 251 CG ASN A 20 -8.339 -3.668 4.311 1.00 0.00 C ATOM 252 OD1 ASN A 20 -8.765 -4.423 3.305 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -8.755 -3.800 5.463 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.975 -0.570 5.966 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.725 -2.658 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.795 -1.662 3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.797 -2.891 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.400 -3.198 6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.455 -4.512 5.674 1.00 0.00 H new ATOM 260 N LEU A 21 -3.985 -3.172 5.521 1.00 0.00 N ATOM 261 CA LEU A 21 -2.817 -4.039 5.409 1.00 0.00 C ATOM 262 C LEU A 21 -2.707 -4.963 6.617 1.00 0.00 C ATOM 263 O LEU A 21 -3.118 -4.610 7.723 1.00 0.00 O ATOM 264 CB LEU A 21 -1.545 -3.199 5.277 1.00 0.00 C ATOM 265 CG LEU A 21 -1.334 -2.507 3.930 1.00 0.00 C ATOM 266 CD1 LEU A 21 -0.142 -1.565 3.995 1.00 0.00 C ATOM 267 CD2 LEU A 21 -1.144 -3.536 2.826 1.00 0.00 C ATOM 0 H LEU A 21 -3.852 -2.362 6.126 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.934 -4.652 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.554 -2.437 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.687 -3.843 5.470 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.223 -1.919 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.007 -1.082 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.319 -0.807 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.755 -2.130 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.995 -3.026 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.272 -4.151 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.029 -4.170 2.763 1.00 0.00 H new ATOM 279 N THR A 22 -2.147 -6.149 6.399 1.00 0.00 N ATOM 280 CA THR A 22 -1.981 -7.125 7.469 1.00 0.00 C ATOM 281 C THR A 22 -0.543 -7.148 7.974 1.00 0.00 C ATOM 282 O THR A 22 0.298 -6.374 7.516 1.00 0.00 O ATOM 283 CB THR A 22 -2.373 -8.540 7.005 1.00 0.00 C ATOM 284 OG1 THR A 22 -2.249 -9.464 8.092 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.497 -8.992 5.846 1.00 0.00 C ATOM 0 H THR A 22 -1.801 -6.457 5.490 1.00 0.00 H new ATOM 0 HA THR A 22 -2.643 -6.820 8.280 1.00 0.00 H new ATOM 0 HB THR A 22 -3.409 -8.514 6.668 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.464 -10.033 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.793 -9.994 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.616 -8.303 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.454 -9.003 6.161 1.00 0.00 H new ATOM 293 N TYR A 23 -0.268 -8.039 8.920 1.00 0.00 N ATOM 294 CA TYR A 23 1.069 -8.161 9.489 1.00 0.00 C ATOM 295 C TYR A 23 2.059 -8.675 8.448 1.00 0.00 C ATOM 296 O TYR A 23 3.122 -8.089 8.243 1.00 0.00 O ATOM 297 CB TYR A 23 1.049 -9.099 10.697 1.00 0.00 C ATOM 298 CG TYR A 23 0.552 -10.491 10.374 1.00 0.00 C ATOM 299 CD1 TYR A 23 -0.807 -10.776 10.346 1.00 0.00 C ATOM 300 CD2 TYR A 23 1.443 -11.520 10.097 1.00 0.00 C ATOM 301 CE1 TYR A 23 -1.265 -12.046 10.052 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.995 -12.793 9.801 1.00 0.00 C ATOM 303 CZ TYR A 23 -0.360 -13.051 9.780 1.00 0.00 C ATOM 304 OH TYR A 23 -0.812 -14.317 9.486 1.00 0.00 O ATOM 0 H TYR A 23 -0.953 -8.687 9.309 1.00 0.00 H new ATOM 0 HA TYR A 23 1.390 -7.171 9.812 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.056 -9.168 11.110 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.416 -8.667 11.472 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.518 -9.991 10.558 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.504 -11.321 10.113 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.325 -12.251 10.035 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.701 -13.581 9.587 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.047 -14.907 9.318 1.00 0.00 H new ATOM 314 N ARG A 24 1.701 -9.775 7.794 1.00 0.00 N ATOM 315 CA ARG A 24 2.557 -10.370 6.774 1.00 0.00 C ATOM 316 C ARG A 24 3.173 -9.294 5.885 1.00 0.00 C ATOM 317 O ARG A 24 4.315 -9.417 5.442 1.00 0.00 O ATOM 318 CB ARG A 24 1.759 -11.357 5.920 1.00 0.00 C ATOM 319 CG ARG A 24 1.754 -12.774 6.470 1.00 0.00 C ATOM 320 CD ARG A 24 0.498 -13.526 6.061 1.00 0.00 C ATOM 321 NE ARG A 24 0.572 -14.007 4.684 1.00 0.00 N ATOM 322 CZ ARG A 24 -0.473 -14.481 4.014 1.00 0.00 C ATOM 323 NH1 ARG A 24 -1.665 -14.537 4.591 1.00 0.00 N ATOM 324 NH2 ARG A 24 -0.326 -14.901 2.764 1.00 0.00 N ATOM 0 H ARG A 24 0.825 -10.272 7.952 1.00 0.00 H new ATOM 0 HA ARG A 24 3.362 -10.905 7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.731 -11.005 5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.173 -11.369 4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.633 -13.308 6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.823 -12.744 7.557 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.347 -14.371 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.368 -12.873 6.171 1.00 0.00 H new ATOM 0 HE ARG A 24 1.475 -13.977 4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.782 -14.216 5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.465 -14.901 4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.590 -14.860 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.129 -15.265 2.250 1.00 0.00 H new ATOM 338 N THR A 25 2.408 -8.237 5.627 1.00 0.00 N ATOM 339 CA THR A 25 2.877 -7.140 4.791 1.00 0.00 C ATOM 340 C THR A 25 4.306 -6.748 5.148 1.00 0.00 C ATOM 341 O THR A 25 4.642 -6.592 6.322 1.00 0.00 O ATOM 342 CB THR A 25 1.968 -5.904 4.925 1.00 0.00 C ATOM 343 OG1 THR A 25 0.595 -6.290 4.806 1.00 0.00 O ATOM 344 CG2 THR A 25 2.303 -4.868 3.861 1.00 0.00 C ATOM 0 H THR A 25 1.461 -8.118 5.986 1.00 0.00 H new ATOM 0 HA THR A 25 2.848 -7.493 3.760 1.00 0.00 H new ATOM 0 HB THR A 25 2.136 -5.461 5.907 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.208 -6.401 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.648 -4.004 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.341 -4.554 3.973 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.160 -5.303 2.872 1.00 0.00 H new ATOM 352 N SER A 26 5.144 -6.588 4.129 1.00 0.00 N ATOM 353 CA SER A 26 6.538 -6.217 4.336 1.00 0.00 C ATOM 354 C SER A 26 7.005 -5.238 3.263 1.00 0.00 C ATOM 355 O SER A 26 6.404 -5.114 2.196 1.00 0.00 O ATOM 356 CB SER A 26 7.427 -7.462 4.328 1.00 0.00 C ATOM 357 OG SER A 26 7.495 -8.049 5.616 1.00 0.00 O ATOM 0 H SER A 26 4.881 -6.710 3.151 1.00 0.00 H new ATOM 0 HA SER A 26 6.617 -5.729 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.036 -8.187 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.429 -7.195 3.993 1.00 0.00 H new ATOM 0 HG SER A 26 8.068 -8.844 5.584 1.00 0.00 H new ATOM 363 N PRO A 27 8.104 -4.525 3.552 1.00 0.00 N ATOM 364 CA PRO A 27 8.677 -3.544 2.625 1.00 0.00 C ATOM 365 C PRO A 27 8.771 -4.079 1.200 1.00 0.00 C ATOM 366 O PRO A 27 8.495 -3.363 0.238 1.00 0.00 O ATOM 367 CB PRO A 27 10.075 -3.293 3.195 1.00 0.00 C ATOM 368 CG PRO A 27 9.944 -3.566 4.654 1.00 0.00 C ATOM 369 CD PRO A 27 8.871 -4.621 4.805 1.00 0.00 C ATOM 0 HA PRO A 27 8.064 -2.646 2.551 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.814 -3.949 2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.399 -2.269 3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.890 -3.914 5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.673 -2.659 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.302 -5.614 4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.242 -4.430 5.675 1.00 0.00 H new ATOM 377 N ASP A 28 9.163 -5.342 1.072 1.00 0.00 N ATOM 378 CA ASP A 28 9.292 -5.974 -0.236 1.00 0.00 C ATOM 379 C ASP A 28 7.933 -6.090 -0.919 1.00 0.00 C ATOM 380 O ASP A 28 7.735 -5.575 -2.019 1.00 0.00 O ATOM 381 CB ASP A 28 9.927 -7.359 -0.097 1.00 0.00 C ATOM 382 CG ASP A 28 11.323 -7.299 0.491 1.00 0.00 C ATOM 383 OD1 ASP A 28 11.983 -6.249 0.345 1.00 0.00 O ATOM 384 OD2 ASP A 28 11.756 -8.302 1.097 1.00 0.00 O ATOM 0 H ASP A 28 9.397 -5.948 1.858 1.00 0.00 H new ATOM 0 HA ASP A 28 9.937 -5.348 -0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.296 -7.983 0.536 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.968 -7.837 -1.076 1.00 0.00 H new ATOM 389 N SER A 29 7.001 -6.772 -0.260 1.00 0.00 N ATOM 390 CA SER A 29 5.662 -6.960 -0.807 1.00 0.00 C ATOM 391 C SER A 29 5.024 -5.619 -1.155 1.00 0.00 C ATOM 392 O SER A 29 4.610 -5.391 -2.292 1.00 0.00 O ATOM 393 CB SER A 29 4.782 -7.713 0.192 1.00 0.00 C ATOM 394 OG SER A 29 5.118 -9.089 0.232 1.00 0.00 O ATOM 0 H SER A 29 7.148 -7.203 0.653 1.00 0.00 H new ATOM 0 HA SER A 29 5.748 -7.549 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.899 -7.278 1.185 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.734 -7.599 -0.084 1.00 0.00 H new ATOM 0 HG SER A 29 4.542 -9.548 0.879 1.00 0.00 H new ATOM 400 N LEU A 30 4.947 -4.734 -0.167 1.00 0.00 N ATOM 401 CA LEU A 30 4.359 -3.414 -0.367 1.00 0.00 C ATOM 402 C LEU A 30 5.001 -2.706 -1.555 1.00 0.00 C ATOM 403 O LEU A 30 4.332 -1.985 -2.296 1.00 0.00 O ATOM 404 CB LEU A 30 4.522 -2.565 0.896 1.00 0.00 C ATOM 405 CG LEU A 30 3.892 -1.172 0.854 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.392 -1.272 0.628 1.00 0.00 C ATOM 407 CD2 LEU A 30 4.191 -0.413 2.139 1.00 0.00 C ATOM 0 H LEU A 30 5.284 -4.906 0.780 1.00 0.00 H new ATOM 0 HA LEU A 30 3.297 -3.544 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.091 -3.111 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.587 -2.454 1.100 1.00 0.00 H new ATOM 0 HG LEU A 30 4.328 -0.621 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.961 -0.271 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.200 -1.776 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.939 -1.841 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.735 0.576 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.783 -0.961 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.270 -0.310 2.258 1.00 0.00 H new ATOM 419 N ARG A 31 6.301 -2.919 -1.733 1.00 0.00 N ATOM 420 CA ARG A 31 7.033 -2.302 -2.833 1.00 0.00 C ATOM 421 C ARG A 31 6.520 -2.808 -4.178 1.00 0.00 C ATOM 422 O ARG A 31 6.121 -2.021 -5.037 1.00 0.00 O ATOM 423 CB ARG A 31 8.529 -2.591 -2.703 1.00 0.00 C ATOM 424 CG ARG A 31 9.337 -2.177 -3.922 1.00 0.00 C ATOM 425 CD ARG A 31 9.789 -0.728 -3.824 1.00 0.00 C ATOM 426 NE ARG A 31 11.089 -0.603 -3.170 1.00 0.00 N ATOM 427 CZ ARG A 31 12.247 -0.767 -3.799 1.00 0.00 C ATOM 428 NH1 ARG A 31 12.268 -1.061 -5.092 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.389 -0.637 -3.135 1.00 0.00 N ATOM 0 H ARG A 31 6.869 -3.514 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 31 6.873 -1.225 -2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.916 -2.071 -1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.671 -3.658 -2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.208 -2.825 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.736 -2.312 -4.821 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.843 -0.297 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.047 -0.154 -3.269 1.00 0.00 H new ATOM 0 HE ARG A 31 11.108 -0.377 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.393 -1.162 -5.606 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.159 -1.186 -5.572 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.378 -0.411 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.278 -0.763 -3.619 1.00 0.00 H new ATOM 443 N ARG A 32 6.536 -4.125 -4.354 1.00 0.00 N ATOM 444 CA ARG A 32 6.074 -4.735 -5.595 1.00 0.00 C ATOM 445 C ARG A 32 4.658 -4.278 -5.932 1.00 0.00 C ATOM 446 O ARG A 32 4.351 -3.973 -7.084 1.00 0.00 O ATOM 447 CB ARG A 32 6.117 -6.261 -5.484 1.00 0.00 C ATOM 448 CG ARG A 32 6.287 -6.963 -6.821 1.00 0.00 C ATOM 449 CD ARG A 32 5.979 -8.449 -6.713 1.00 0.00 C ATOM 450 NE ARG A 32 7.127 -9.213 -6.233 1.00 0.00 N ATOM 451 CZ ARG A 32 7.429 -9.356 -4.948 1.00 0.00 C ATOM 452 NH1 ARG A 32 6.672 -8.791 -4.018 1.00 0.00 N ATOM 453 NH2 ARG A 32 8.491 -10.067 -4.590 1.00 0.00 N ATOM 0 H ARG A 32 6.864 -4.790 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 32 6.740 -4.417 -6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.938 -6.546 -4.826 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.197 -6.609 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.628 -6.506 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.308 -6.827 -7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.137 -8.596 -6.036 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.674 -8.828 -7.689 1.00 0.00 H new ATOM 0 HE ARG A 32 7.730 -9.661 -6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.855 -8.244 -4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.907 -8.903 -3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.076 -10.504 -5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.722 -10.176 -3.603 1.00 0.00 H new ATOM 467 N VAL A 33 3.799 -4.234 -4.919 1.00 0.00 N ATOM 468 CA VAL A 33 2.415 -3.815 -5.107 1.00 0.00 C ATOM 469 C VAL A 33 2.309 -2.740 -6.184 1.00 0.00 C ATOM 470 O VAL A 33 1.482 -2.835 -7.091 1.00 0.00 O ATOM 471 CB VAL A 33 1.809 -3.275 -3.798 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.499 -2.553 -4.073 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.605 -4.406 -2.801 1.00 0.00 C ATOM 0 H VAL A 33 4.037 -4.483 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 33 1.857 -4.697 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 33 2.506 -2.558 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.086 -2.179 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.679 -1.718 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.208 -3.245 -4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.176 -4.008 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.928 -5.148 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.564 -4.874 -2.581 1.00 0.00 H new ATOM 483 N PHE A 34 3.152 -1.719 -6.078 1.00 0.00 N ATOM 484 CA PHE A 34 3.153 -0.625 -7.043 1.00 0.00 C ATOM 485 C PHE A 34 4.274 -0.800 -8.062 1.00 0.00 C ATOM 486 O PHE A 34 4.101 -0.512 -9.246 1.00 0.00 O ATOM 487 CB PHE A 34 3.307 0.717 -6.324 1.00 0.00 C ATOM 488 CG PHE A 34 2.329 0.911 -5.200 1.00 0.00 C ATOM 489 CD1 PHE A 34 0.993 0.582 -5.362 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.747 1.422 -3.982 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.091 0.759 -4.330 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.849 1.600 -2.946 1.00 0.00 C ATOM 493 CZ PHE A 34 0.519 1.270 -3.121 1.00 0.00 C ATOM 0 H PHE A 34 3.843 -1.626 -5.334 1.00 0.00 H new ATOM 0 HA PHE A 34 2.200 -0.639 -7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.321 0.795 -5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.183 1.524 -7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.652 0.183 -6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.785 1.684 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.948 0.498 -4.469 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.187 1.997 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.184 1.411 -2.314 1.00 0.00 H new ATOM 503 N GLU A 35 5.424 -1.274 -7.593 1.00 0.00 N ATOM 504 CA GLU A 35 6.574 -1.486 -8.464 1.00 0.00 C ATOM 505 C GLU A 35 6.141 -2.070 -9.806 1.00 0.00 C ATOM 506 O GLU A 35 6.740 -1.785 -10.843 1.00 0.00 O ATOM 507 CB GLU A 35 7.585 -2.419 -7.793 1.00 0.00 C ATOM 508 CG GLU A 35 9.023 -2.162 -8.213 1.00 0.00 C ATOM 509 CD GLU A 35 9.289 -2.559 -9.652 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.332 -3.775 -9.933 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.456 -1.654 -10.496 1.00 0.00 O ATOM 0 H GLU A 35 5.584 -1.518 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 35 7.044 -0.519 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.506 -2.309 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.326 -3.451 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.252 -1.104 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.694 -2.716 -7.557 1.00 0.00 H new ATOM 518 N LYS A 36 5.095 -2.889 -9.778 1.00 0.00 N ATOM 519 CA LYS A 36 4.578 -3.513 -10.990 1.00 0.00 C ATOM 520 C LYS A 36 4.364 -2.475 -12.087 1.00 0.00 C ATOM 521 O LYS A 36 4.732 -2.694 -13.242 1.00 0.00 O ATOM 522 CB LYS A 36 3.263 -4.238 -10.695 1.00 0.00 C ATOM 523 CG LYS A 36 3.451 -5.662 -10.202 1.00 0.00 C ATOM 524 CD LYS A 36 2.124 -6.394 -10.092 1.00 0.00 C ATOM 525 CE LYS A 36 1.370 -5.996 -8.833 1.00 0.00 C ATOM 526 NZ LYS A 36 0.451 -7.073 -8.373 1.00 0.00 N ATOM 0 H LYS A 36 4.588 -3.136 -8.928 1.00 0.00 H new ATOM 0 HA LYS A 36 5.314 -4.238 -11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.707 -3.674 -9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.655 -4.253 -11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.109 -6.200 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.942 -5.649 -9.229 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.513 -6.175 -10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.300 -7.470 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.082 -5.764 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.798 -5.088 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.044 -6.763 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.245 -7.277 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.999 -7.932 -8.166 1.00 0.00 H new ATOM 540 N TYR A 37 3.769 -1.346 -11.719 1.00 0.00 N ATOM 541 CA TYR A 37 3.505 -0.275 -12.673 1.00 0.00 C ATOM 542 C TYR A 37 4.545 0.834 -12.548 1.00 0.00 C ATOM 543 O TYR A 37 5.180 1.219 -13.529 1.00 0.00 O ATOM 544 CB TYR A 37 2.104 0.298 -12.454 1.00 0.00 C ATOM 545 CG TYR A 37 1.061 -0.754 -12.150 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.392 -1.413 -13.174 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.744 -1.088 -10.839 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.562 -2.374 -12.901 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.208 -2.049 -10.557 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.859 -2.688 -11.591 1.00 0.00 C ATOM 551 OH TYR A 37 -1.808 -3.646 -11.316 1.00 0.00 O ATOM 0 H TYR A 37 3.460 -1.149 -10.767 1.00 0.00 H new ATOM 0 HA TYR A 37 3.566 -0.694 -13.677 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.137 1.013 -11.632 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.803 0.850 -13.344 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.622 -1.170 -14.201 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.250 -0.588 -10.027 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.073 -2.877 -13.709 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.441 -2.298 -9.532 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.897 -3.749 -10.346 1.00 0.00 H new ATOM 561 N GLY A 38 4.715 1.344 -11.332 1.00 0.00 N ATOM 562 CA GLY A 38 5.679 2.403 -11.099 1.00 0.00 C ATOM 563 C GLY A 38 6.578 2.118 -9.913 1.00 0.00 C ATOM 564 O GLY A 38 6.163 1.470 -8.951 1.00 0.00 O ATOM 0 H GLY A 38 4.202 1.042 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.291 2.536 -11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.150 3.341 -10.933 1.00 0.00 H new ATOM 568 N ARG A 39 7.815 2.600 -9.980 1.00 0.00 N ATOM 569 CA ARG A 39 8.777 2.390 -8.905 1.00 0.00 C ATOM 570 C ARG A 39 8.273 2.998 -7.599 1.00 0.00 C ATOM 571 O ARG A 39 7.173 3.548 -7.542 1.00 0.00 O ATOM 572 CB ARG A 39 10.129 3.002 -9.275 1.00 0.00 C ATOM 573 CG ARG A 39 10.851 2.256 -10.386 1.00 0.00 C ATOM 574 CD ARG A 39 11.613 1.056 -9.848 1.00 0.00 C ATOM 575 NE ARG A 39 12.979 1.402 -9.463 1.00 0.00 N ATOM 576 CZ ARG A 39 13.966 1.578 -10.335 1.00 0.00 C ATOM 577 NH1 ARG A 39 13.739 1.441 -11.634 1.00 0.00 N ATOM 578 NH2 ARG A 39 15.182 1.893 -9.907 1.00 0.00 N ATOM 0 H ARG A 39 8.174 3.139 -10.768 1.00 0.00 H new ATOM 0 HA ARG A 39 8.898 1.316 -8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.978 4.037 -9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.764 3.022 -8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.129 1.925 -11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.543 2.932 -10.889 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.086 0.649 -8.985 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.637 0.273 -10.606 1.00 0.00 H new ATOM 0 HE ARG A 39 13.186 1.515 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.805 1.200 -11.966 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.498 1.577 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.359 2.000 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.939 2.028 -10.577 1.00 0.00 H new ATOM 592 N VAL A 40 9.084 2.893 -6.551 1.00 0.00 N ATOM 593 CA VAL A 40 8.722 3.432 -5.246 1.00 0.00 C ATOM 594 C VAL A 40 9.850 4.279 -4.668 1.00 0.00 C ATOM 595 O VAL A 40 10.882 3.756 -4.251 1.00 0.00 O ATOM 596 CB VAL A 40 8.377 2.308 -4.251 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.375 2.839 -2.826 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.034 1.682 -4.598 1.00 0.00 C ATOM 0 H VAL A 40 9.997 2.439 -6.581 1.00 0.00 H new ATOM 0 HA VAL A 40 7.842 4.058 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 40 9.142 1.535 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.129 2.031 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.361 3.235 -2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.633 3.632 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.807 0.890 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.256 2.444 -4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.077 1.263 -5.603 1.00 0.00 H new ATOM 608 N GLY A 41 9.645 5.592 -4.647 1.00 0.00 N ATOM 609 CA GLY A 41 10.653 6.492 -4.118 1.00 0.00 C ATOM 610 C GLY A 41 11.205 6.025 -2.785 1.00 0.00 C ATOM 611 O GLY A 41 12.418 6.024 -2.574 1.00 0.00 O ATOM 0 H GLY A 41 8.799 6.049 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.469 6.580 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.222 7.487 -4.001 1.00 0.00 H new ATOM 615 N ASP A 42 10.313 5.629 -1.884 1.00 0.00 N ATOM 616 CA ASP A 42 10.717 5.158 -0.564 1.00 0.00 C ATOM 617 C ASP A 42 9.563 4.448 0.137 1.00 0.00 C ATOM 618 O ASP A 42 8.406 4.849 0.012 1.00 0.00 O ATOM 619 CB ASP A 42 11.206 6.328 0.291 1.00 0.00 C ATOM 620 CG ASP A 42 11.636 5.893 1.678 1.00 0.00 C ATOM 621 OD1 ASP A 42 10.813 5.277 2.388 1.00 0.00 O ATOM 622 OD2 ASP A 42 12.795 6.166 2.053 1.00 0.00 O ATOM 0 H ASP A 42 9.306 5.625 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 42 11.533 4.447 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.043 6.815 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.411 7.069 0.376 1.00 0.00 H new ATOM 627 N VAL A 43 9.886 3.389 0.873 1.00 0.00 N ATOM 628 CA VAL A 43 8.877 2.622 1.593 1.00 0.00 C ATOM 629 C VAL A 43 8.989 2.843 3.098 1.00 0.00 C ATOM 630 O VAL A 43 10.062 2.682 3.681 1.00 0.00 O ATOM 631 CB VAL A 43 8.998 1.116 1.296 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.702 0.398 1.638 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.375 0.889 -0.160 1.00 0.00 C ATOM 0 H VAL A 43 10.839 3.043 0.986 1.00 0.00 H new ATOM 0 HA VAL A 43 7.905 2.975 1.248 1.00 0.00 H new ATOM 0 HB VAL A 43 9.790 0.703 1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.807 -0.665 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.480 0.532 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.889 0.811 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.456 -0.181 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.608 1.316 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.332 1.368 -0.367 1.00 0.00 H new ATOM 643 N TYR A 44 7.875 3.212 3.720 1.00 0.00 N ATOM 644 CA TYR A 44 7.849 3.457 5.157 1.00 0.00 C ATOM 645 C TYR A 44 6.747 2.642 5.828 1.00 0.00 C ATOM 646 O TYR A 44 5.563 2.824 5.543 1.00 0.00 O ATOM 647 CB TYR A 44 7.640 4.946 5.438 1.00 0.00 C ATOM 648 CG TYR A 44 7.677 5.295 6.909 1.00 0.00 C ATOM 649 CD1 TYR A 44 6.549 5.148 7.707 1.00 0.00 C ATOM 650 CD2 TYR A 44 8.840 5.772 7.500 1.00 0.00 C ATOM 651 CE1 TYR A 44 6.579 5.467 9.051 1.00 0.00 C ATOM 652 CE2 TYR A 44 8.879 6.092 8.844 1.00 0.00 C ATOM 653 CZ TYR A 44 7.746 5.939 9.615 1.00 0.00 C ATOM 654 OH TYR A 44 7.780 6.256 10.953 1.00 0.00 O ATOM 0 H TYR A 44 6.979 3.348 3.252 1.00 0.00 H new ATOM 0 HA TYR A 44 8.809 3.147 5.570 1.00 0.00 H new ATOM 0 HB2 TYR A 44 8.409 5.517 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.680 5.254 5.024 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.634 4.778 7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.729 5.895 6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.693 5.347 9.657 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.792 6.460 9.288 1.00 0.00 H new ATOM 0 HH TYR A 44 8.676 6.573 11.192 1.00 0.00 H new ATOM 664 N ILE A 45 7.146 1.743 6.723 1.00 0.00 N ATOM 665 CA ILE A 45 6.194 0.901 7.436 1.00 0.00 C ATOM 666 C ILE A 45 6.308 1.099 8.944 1.00 0.00 C ATOM 667 O ILE A 45 7.226 0.597 9.593 1.00 0.00 O ATOM 668 CB ILE A 45 6.403 -0.589 7.107 1.00 0.00 C ATOM 669 CG1 ILE A 45 6.152 -0.845 5.620 1.00 0.00 C ATOM 670 CG2 ILE A 45 5.488 -1.453 7.962 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.403 -2.278 5.203 1.00 0.00 C ATOM 0 H ILE A 45 8.122 1.580 6.971 1.00 0.00 H new ATOM 0 HA ILE A 45 5.199 1.200 7.107 1.00 0.00 H new ATOM 0 HB ILE A 45 7.436 -0.855 7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.121 -0.581 5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.792 -0.187 5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.647 -2.503 7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.711 -1.287 9.016 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.449 -1.188 7.765 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.205 -2.387 4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.441 -2.540 5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.744 -2.941 5.764 1.00 0.00 H new ATOM 683 N PRO A 46 5.352 1.845 9.517 1.00 0.00 N ATOM 684 CA PRO A 46 5.322 2.124 10.956 1.00 0.00 C ATOM 685 C PRO A 46 4.877 0.915 11.771 1.00 0.00 C ATOM 686 O PRO A 46 4.422 -0.086 11.217 1.00 0.00 O ATOM 687 CB PRO A 46 4.298 3.256 11.076 1.00 0.00 C ATOM 688 CG PRO A 46 3.388 3.069 9.912 1.00 0.00 C ATOM 689 CD PRO A 46 4.227 2.474 8.804 1.00 0.00 C ATOM 0 HA PRO A 46 6.308 2.380 11.343 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.753 3.198 12.018 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.782 4.232 11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.560 2.409 10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.954 4.020 9.602 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.663 1.744 8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.572 3.239 8.108 1.00 0.00 H new ATOM 851 N GLY A 56 -1.990 -0.234 10.811 1.00 0.00 N ATOM 852 CA GLY A 56 -2.975 -0.574 9.801 1.00 0.00 C ATOM 853 C GLY A 56 -2.889 0.323 8.582 1.00 0.00 C ATOM 854 O GLY A 56 -3.895 0.585 7.923 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.835 -1.611 9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.973 -0.501 10.232 1.00 0.00 H new ATOM 858 N PHE A 57 -1.684 0.797 8.282 1.00 0.00 N ATOM 859 CA PHE A 57 -1.470 1.673 7.136 1.00 0.00 C ATOM 860 C PHE A 57 0.017 1.810 6.826 1.00 0.00 C ATOM 861 O PHE A 57 0.867 1.518 7.667 1.00 0.00 O ATOM 862 CB PHE A 57 -2.077 3.052 7.401 1.00 0.00 C ATOM 863 CG PHE A 57 -1.857 3.545 8.802 1.00 0.00 C ATOM 864 CD1 PHE A 57 -2.767 3.253 9.805 1.00 0.00 C ATOM 865 CD2 PHE A 57 -0.738 4.300 9.117 1.00 0.00 C ATOM 866 CE1 PHE A 57 -2.567 3.706 11.095 1.00 0.00 C ATOM 867 CE2 PHE A 57 -0.533 4.756 10.406 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.448 4.457 11.397 1.00 0.00 C ATOM 0 H PHE A 57 -0.841 0.589 8.817 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.963 1.227 6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.649 3.769 6.701 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.148 3.013 7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.643 2.664 9.576 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.018 4.535 8.347 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.286 3.473 11.867 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.342 5.345 10.638 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.289 4.810 12.405 1.00 0.00 H new ATOM 878 N ALA A 58 0.324 2.256 5.612 1.00 0.00 N ATOM 879 CA ALA A 58 1.708 2.434 5.191 1.00 0.00 C ATOM 880 C ALA A 58 1.856 3.658 4.294 1.00 0.00 C ATOM 881 O ALA A 58 0.866 4.221 3.827 1.00 0.00 O ATOM 882 CB ALA A 58 2.205 1.188 4.473 1.00 0.00 C ATOM 0 H ALA A 58 -0.367 2.501 4.903 1.00 0.00 H new ATOM 0 HA ALA A 58 2.315 2.594 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.240 1.335 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.145 0.332 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.587 1.003 3.594 1.00 0.00 H new ATOM 888 N PHE A 59 3.099 4.067 4.058 1.00 0.00 N ATOM 889 CA PHE A 59 3.376 5.226 3.219 1.00 0.00 C ATOM 890 C PHE A 59 4.386 4.879 2.128 1.00 0.00 C ATOM 891 O PHE A 59 5.439 4.305 2.402 1.00 0.00 O ATOM 892 CB PHE A 59 3.904 6.383 4.069 1.00 0.00 C ATOM 893 CG PHE A 59 2.850 7.032 4.919 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.967 7.949 4.371 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.742 6.726 6.266 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.996 8.548 5.152 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.773 7.322 7.052 1.00 0.00 C ATOM 898 CZ PHE A 59 0.898 8.233 6.493 1.00 0.00 C ATOM 0 H PHE A 59 3.930 3.612 4.436 1.00 0.00 H new ATOM 0 HA PHE A 59 2.444 5.530 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.703 6.015 4.713 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.344 7.134 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.038 8.198 3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.423 6.013 6.707 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.314 9.262 4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.700 7.076 8.101 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.138 8.698 7.104 1.00 0.00 H new ATOM 908 N VAL A 60 4.055 5.232 0.890 1.00 0.00 N ATOM 909 CA VAL A 60 4.932 4.959 -0.242 1.00 0.00 C ATOM 910 C VAL A 60 5.039 6.172 -1.159 1.00 0.00 C ATOM 911 O VAL A 60 4.040 6.824 -1.462 1.00 0.00 O ATOM 912 CB VAL A 60 4.432 3.753 -1.061 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.326 3.522 -2.270 1.00 0.00 C ATOM 914 CG2 VAL A 60 4.368 2.508 -0.189 1.00 0.00 C ATOM 0 H VAL A 60 3.186 5.707 0.646 1.00 0.00 H new ATOM 0 HA VAL A 60 5.915 4.729 0.168 1.00 0.00 H new ATOM 0 HB VAL A 60 3.426 3.970 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.958 2.667 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.317 4.408 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.345 3.325 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.013 1.666 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.361 2.285 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.684 2.680 0.642 1.00 0.00 H new ATOM 924 N ARG A 61 6.257 6.469 -1.599 1.00 0.00 N ATOM 925 CA ARG A 61 6.496 7.604 -2.481 1.00 0.00 C ATOM 926 C ARG A 61 6.703 7.141 -3.920 1.00 0.00 C ATOM 927 O ARG A 61 6.998 5.972 -4.171 1.00 0.00 O ATOM 928 CB ARG A 61 7.716 8.397 -2.009 1.00 0.00 C ATOM 929 CG ARG A 61 7.387 9.464 -0.978 1.00 0.00 C ATOM 930 CD ARG A 61 7.101 8.853 0.385 1.00 0.00 C ATOM 931 NE ARG A 61 8.315 8.703 1.183 1.00 0.00 N ATOM 932 CZ ARG A 61 8.934 9.718 1.776 1.00 0.00 C ATOM 933 NH1 ARG A 61 8.456 10.949 1.662 1.00 0.00 N ATOM 934 NH2 ARG A 61 10.034 9.502 2.486 1.00 0.00 N ATOM 0 H ARG A 61 7.094 5.939 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 61 5.617 8.248 -2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.446 7.707 -1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.187 8.870 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.220 10.162 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.521 10.037 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.390 9.481 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.631 7.879 0.254 1.00 0.00 H new ATOM 0 HE ARG A 61 8.709 7.768 1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.610 11.119 1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.934 11.726 2.119 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.405 8.556 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.509 10.282 2.941 1.00 0.00 H new ATOM 948 N PHE A 62 6.546 8.065 -4.862 1.00 0.00 N ATOM 949 CA PHE A 62 6.714 7.751 -6.277 1.00 0.00 C ATOM 950 C PHE A 62 7.567 8.809 -6.971 1.00 0.00 C ATOM 951 O PHE A 62 7.924 9.825 -6.374 1.00 0.00 O ATOM 952 CB PHE A 62 5.350 7.648 -6.963 1.00 0.00 C ATOM 953 CG PHE A 62 4.570 6.427 -6.566 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.134 6.263 -5.261 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.272 5.446 -7.497 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.416 5.140 -4.893 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.554 4.321 -7.134 1.00 0.00 C ATOM 958 CZ PHE A 62 3.125 4.169 -5.831 1.00 0.00 C ATOM 0 H PHE A 62 6.303 9.037 -4.672 1.00 0.00 H new ATOM 0 HA PHE A 62 7.225 6.791 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.765 8.536 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.495 7.641 -8.043 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.357 7.020 -4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.604 5.561 -8.518 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.083 5.022 -3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.329 3.562 -7.869 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.563 3.292 -5.545 1.00 0.00 H new ATOM 968 N HIS A 63 7.891 8.562 -8.236 1.00 0.00 N ATOM 969 CA HIS A 63 8.702 9.492 -9.013 1.00 0.00 C ATOM 970 C HIS A 63 7.824 10.367 -9.903 1.00 0.00 C ATOM 971 O HIS A 63 8.182 11.501 -10.222 1.00 0.00 O ATOM 972 CB HIS A 63 9.714 8.729 -9.868 1.00 0.00 C ATOM 973 CG HIS A 63 10.945 8.321 -9.118 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.944 9.206 -8.773 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.334 7.114 -8.645 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.895 8.561 -8.122 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.549 7.290 -8.031 1.00 0.00 N ATOM 0 H HIS A 63 7.604 7.726 -8.745 1.00 0.00 H new ATOM 0 HA HIS A 63 9.239 10.136 -8.316 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.235 7.839 -10.275 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.004 9.351 -10.715 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.790 6.185 -8.734 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.801 8.999 -7.731 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.096 6.558 -7.578 1.00 0.00 H new ATOM 985 N ASP A 64 6.674 9.833 -10.299 1.00 0.00 N ATOM 986 CA ASP A 64 5.745 10.564 -11.152 1.00 0.00 C ATOM 987 C ASP A 64 4.314 10.424 -10.641 1.00 0.00 C ATOM 988 O ASP A 64 4.036 9.613 -9.758 1.00 0.00 O ATOM 989 CB ASP A 64 5.837 10.061 -12.593 1.00 0.00 C ATOM 990 CG ASP A 64 5.486 11.134 -13.605 1.00 0.00 C ATOM 991 OD1 ASP A 64 5.741 12.323 -13.320 1.00 0.00 O ATOM 992 OD2 ASP A 64 4.956 10.786 -14.681 1.00 0.00 O ATOM 0 H ASP A 64 6.363 8.896 -10.043 1.00 0.00 H new ATOM 0 HA ASP A 64 6.020 11.618 -11.126 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.848 9.701 -12.785 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.166 9.211 -12.722 1.00 0.00 H new ATOM 997 N ARG A 65 3.410 11.221 -11.203 1.00 0.00 N ATOM 998 CA ARG A 65 2.009 11.187 -10.803 1.00 0.00 C ATOM 999 C ARG A 65 1.244 10.126 -11.589 1.00 0.00 C ATOM 1000 O ARG A 65 0.613 9.243 -11.007 1.00 0.00 O ATOM 1001 CB ARG A 65 1.363 12.558 -11.015 1.00 0.00 C ATOM 1002 CG ARG A 65 -0.117 12.593 -10.670 1.00 0.00 C ATOM 1003 CD ARG A 65 -0.727 13.953 -10.973 1.00 0.00 C ATOM 1004 NE ARG A 65 -0.700 14.259 -12.401 1.00 0.00 N ATOM 1005 CZ ARG A 65 -1.016 15.448 -12.903 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -1.380 16.436 -12.098 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -0.967 15.649 -14.214 1.00 0.00 N ATOM 0 H ARG A 65 3.623 11.897 -11.936 1.00 0.00 H new ATOM 0 HA ARG A 65 1.966 10.932 -9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.887 13.295 -10.407 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.492 12.854 -12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.642 11.823 -11.236 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.251 12.360 -9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.757 13.976 -10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.184 14.724 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.424 13.520 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.418 16.285 -11.090 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.622 17.348 -12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.687 14.891 -14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.210 16.562 -14.599 1.00 0.00 H new ATOM 1021 N ARG A 66 1.306 10.218 -12.913 1.00 0.00 N ATOM 1022 CA ARG A 66 0.618 9.268 -13.778 1.00 0.00 C ATOM 1023 C ARG A 66 0.779 7.843 -13.256 1.00 0.00 C ATOM 1024 O ARG A 66 -0.196 7.201 -12.864 1.00 0.00 O ATOM 1025 CB ARG A 66 1.158 9.363 -15.207 1.00 0.00 C ATOM 1026 CG ARG A 66 0.125 9.031 -16.271 1.00 0.00 C ATOM 1027 CD ARG A 66 -0.846 10.182 -16.484 1.00 0.00 C ATOM 1028 NE ARG A 66 -1.914 9.831 -17.415 1.00 0.00 N ATOM 1029 CZ ARG A 66 -2.795 10.707 -17.886 1.00 0.00 C ATOM 1030 NH1 ARG A 66 -2.735 11.978 -17.515 1.00 0.00 N ATOM 1031 NH2 ARG A 66 -3.739 10.312 -18.731 1.00 0.00 N ATOM 0 H ARG A 66 1.826 10.941 -13.410 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.443 9.519 -13.780 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.533 10.372 -15.379 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.006 8.686 -15.312 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.629 8.801 -17.210 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.427 8.138 -15.978 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.280 10.472 -15.527 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.304 11.048 -16.864 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.988 8.861 -17.721 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.011 12.286 -16.866 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.413 12.648 -17.878 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.789 9.335 -19.020 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.415 10.985 -19.092 1.00 0.00 H new ATOM 1045 N ASP A 67 2.015 7.355 -13.256 1.00 0.00 N ATOM 1046 CA ASP A 67 2.304 6.006 -12.782 1.00 0.00 C ATOM 1047 C ASP A 67 1.521 5.698 -11.509 1.00 0.00 C ATOM 1048 O ASP A 67 0.799 4.703 -11.438 1.00 0.00 O ATOM 1049 CB ASP A 67 3.802 5.843 -12.525 1.00 0.00 C ATOM 1050 CG ASP A 67 4.629 6.040 -13.780 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.217 6.844 -14.643 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.690 5.392 -13.899 1.00 0.00 O ATOM 0 H ASP A 67 2.832 7.873 -13.579 1.00 0.00 H new ATOM 0 HA ASP A 67 1.997 5.302 -13.556 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.118 6.561 -11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.992 4.849 -12.120 1.00 0.00 H new ATOM 1057 N ALA A 68 1.669 6.557 -10.506 1.00 0.00 N ATOM 1058 CA ALA A 68 0.976 6.377 -9.237 1.00 0.00 C ATOM 1059 C ALA A 68 -0.529 6.248 -9.447 1.00 0.00 C ATOM 1060 O ALA A 68 -1.149 5.291 -8.986 1.00 0.00 O ATOM 1061 CB ALA A 68 1.282 7.535 -8.299 1.00 0.00 C ATOM 0 H ALA A 68 2.263 7.385 -10.548 1.00 0.00 H new ATOM 0 HA ALA A 68 1.334 5.453 -8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.758 7.387 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.355 7.580 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.953 8.469 -8.754 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.110 7.219 -10.146 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.543 7.213 -10.415 1.00 0.00 C ATOM 1069 C GLN A 69 -2.986 5.866 -10.978 1.00 0.00 C ATOM 1070 O GLN A 69 -4.006 5.315 -10.564 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.903 8.332 -11.394 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.964 9.707 -10.750 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.258 9.942 -9.995 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -4.898 8.998 -9.529 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -4.651 11.204 -9.870 1.00 0.00 N ATOM 0 H GLN A 69 -0.611 8.019 -10.536 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.065 7.381 -9.473 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.168 8.349 -12.199 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.869 8.109 -11.848 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.123 9.821 -10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.854 10.470 -11.521 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.090 11.955 -10.272 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.514 11.422 -9.372 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.212 5.342 -11.923 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.525 4.060 -12.542 1.00 0.00 C ATOM 1086 C ASP A 70 -2.592 2.953 -11.494 1.00 0.00 C ATOM 1087 O ASP A 70 -3.539 2.168 -11.466 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.478 3.713 -13.602 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.799 4.321 -14.953 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -1.574 5.537 -15.124 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -2.277 3.581 -15.839 1.00 0.00 O ATOM 0 H ASP A 70 -1.364 5.785 -12.276 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.501 4.143 -13.020 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.500 4.064 -13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.411 2.630 -13.701 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.579 2.896 -10.635 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.524 1.886 -9.585 1.00 0.00 C ATOM 1098 C ALA A 71 -2.694 2.035 -8.618 1.00 0.00 C ATOM 1099 O ALA A 71 -3.306 1.047 -8.215 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.203 1.975 -8.836 1.00 0.00 C ATOM 0 H ALA A 71 -0.786 3.537 -10.646 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.597 0.905 -10.054 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.176 1.215 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.621 1.811 -9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.106 2.963 -8.385 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.997 3.276 -8.250 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.093 3.552 -7.329 1.00 0.00 C ATOM 1108 C GLU A 72 -5.422 3.073 -7.905 1.00 0.00 C ATOM 1109 O GLU A 72 -6.039 2.145 -7.382 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.167 5.049 -7.023 1.00 0.00 C ATOM 1111 CG GLU A 72 -4.986 5.379 -5.787 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.457 5.575 -6.097 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.790 6.559 -6.790 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.274 4.746 -5.646 1.00 0.00 O ATOM 0 H GLU A 72 -2.500 4.105 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.901 3.009 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.156 5.435 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.596 5.566 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.876 4.576 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.592 6.285 -5.326 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.858 3.714 -8.984 1.00 0.00 N ATOM 1122 CA ALA A 73 -7.113 3.354 -9.632 1.00 0.00 C ATOM 1123 C ALA A 73 -7.260 1.840 -9.739 1.00 0.00 C ATOM 1124 O ALA A 73 -8.341 1.295 -9.516 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.197 3.993 -11.011 1.00 0.00 C ATOM 0 H ALA A 73 -5.360 4.486 -9.428 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.932 3.730 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.139 3.716 -11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.145 5.077 -10.913 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.367 3.644 -11.625 1.00 0.00 H new ATOM 1131 N ALA A 74 -6.167 1.166 -10.083 1.00 0.00 N ATOM 1132 CA ALA A 74 -6.175 -0.285 -10.218 1.00 0.00 C ATOM 1133 C ALA A 74 -6.379 -0.961 -8.866 1.00 0.00 C ATOM 1134 O ALA A 74 -7.455 -1.487 -8.581 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.880 -0.763 -10.859 1.00 0.00 C ATOM 0 H ALA A 74 -5.265 1.602 -10.273 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.010 -0.560 -10.862 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.900 -1.849 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.776 -0.315 -11.847 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.035 -0.469 -10.236 1.00 0.00 H new ATOM 1141 N MET A 75 -5.340 -0.944 -8.038 1.00 0.00 N ATOM 1142 CA MET A 75 -5.407 -1.555 -6.716 1.00 0.00 C ATOM 1143 C MET A 75 -6.665 -1.113 -5.975 1.00 0.00 C ATOM 1144 O MET A 75 -7.602 -1.893 -5.802 1.00 0.00 O ATOM 1145 CB MET A 75 -4.166 -1.192 -5.899 1.00 0.00 C ATOM 1146 CG MET A 75 -3.019 -2.176 -6.065 1.00 0.00 C ATOM 1147 SD MET A 75 -3.426 -3.825 -5.460 1.00 0.00 S ATOM 1148 CE MET A 75 -1.844 -4.648 -5.631 1.00 0.00 C ATOM 0 H MET A 75 -4.442 -0.514 -8.259 1.00 0.00 H new ATOM 0 HA MET A 75 -5.444 -2.637 -6.845 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.827 -0.198 -6.192 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.438 -1.138 -4.845 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.747 -2.237 -7.119 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.145 -1.803 -5.531 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.977 -5.584 -6.174 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.157 -4.005 -6.180 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.434 -4.857 -4.643 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.679 0.142 -5.540 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.823 0.688 -4.819 1.00 0.00 C ATOM 1160 C ASP A 76 -9.128 0.096 -5.341 1.00 0.00 C ATOM 1161 O ASP A 76 -9.649 0.525 -6.370 1.00 0.00 O ATOM 1162 CB ASP A 76 -7.853 2.212 -4.946 1.00 0.00 C ATOM 1163 CG ASP A 76 -8.643 2.870 -3.832 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -8.376 2.560 -2.652 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.529 3.695 -4.140 1.00 0.00 O ATOM 0 H ASP A 76 -5.911 0.800 -5.674 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.719 0.421 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.832 2.594 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.289 2.485 -5.907 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.652 -0.895 -4.624 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.891 -1.531 -5.032 1.00 0.00 C ATOM 1172 C GLY A 77 -10.664 -2.889 -5.666 1.00 0.00 C ATOM 1173 O GLY A 77 -11.330 -3.247 -6.637 1.00 0.00 O ATOM 0 H GLY A 77 -9.240 -1.268 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.541 -1.643 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.411 -0.885 -5.740 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.721 -3.646 -5.116 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.408 -4.973 -5.634 1.00 0.00 C ATOM 1179 C ALA A 78 -9.502 -6.027 -4.536 1.00 0.00 C ATOM 1180 O ALA A 78 -9.503 -5.701 -3.349 1.00 0.00 O ATOM 1181 CB ALA A 78 -8.021 -4.982 -6.259 1.00 0.00 C ATOM 0 H ALA A 78 -9.160 -3.364 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.142 -5.219 -6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.801 -5.979 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.986 -4.263 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.281 -4.710 -5.506 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.582 -7.291 -4.940 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.678 -8.392 -3.989 1.00 0.00 C ATOM 1189 C GLU A 79 -8.324 -9.069 -3.802 1.00 0.00 C ATOM 1190 O GLU A 79 -7.908 -9.888 -4.623 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.712 -9.416 -4.463 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.072 -10.449 -3.409 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.231 -11.333 -3.831 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -12.034 -12.185 -4.722 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -13.334 -11.171 -3.268 1.00 0.00 O ATOM 0 H GLU A 79 -9.582 -7.578 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.996 -7.983 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.617 -8.891 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.326 -9.928 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.201 -11.071 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.327 -9.940 -2.479 1.00 0.00 H new ATOM 1202 N LEU A 80 -7.640 -8.721 -2.718 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.331 -9.294 -2.422 1.00 0.00 C ATOM 1204 C LEU A 80 -6.238 -9.710 -0.958 1.00 0.00 C ATOM 1205 O LEU A 80 -6.695 -8.993 -0.068 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.226 -8.288 -2.750 1.00 0.00 C ATOM 1207 CG LEU A 80 -4.844 -8.168 -4.225 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.110 -6.861 -4.482 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -3.992 -9.353 -4.654 1.00 0.00 C ATOM 0 H LEU A 80 -7.970 -8.045 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.201 -10.181 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.539 -7.306 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.334 -8.561 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.759 -8.170 -4.818 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.846 -6.793 -5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.754 -6.023 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.203 -6.828 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.730 -9.250 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.082 -9.383 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.553 -10.276 -4.508 1.00 0.00 H new ATOM 1221 N ASP A 81 -5.640 -10.872 -0.716 1.00 0.00 N ATOM 1222 CA ASP A 81 -5.483 -11.383 0.641 1.00 0.00 C ATOM 1223 C ASP A 81 -6.828 -11.443 1.358 1.00 0.00 C ATOM 1224 O ASP A 81 -6.903 -11.277 2.575 1.00 0.00 O ATOM 1225 CB ASP A 81 -4.510 -10.506 1.430 1.00 0.00 C ATOM 1226 CG ASP A 81 -3.278 -10.141 0.626 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.350 -9.178 -0.167 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -2.241 -10.817 0.790 1.00 0.00 O ATOM 0 H ASP A 81 -5.256 -11.477 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.080 -12.394 0.577 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.019 -9.595 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.207 -11.030 2.337 1.00 0.00 H new ATOM 1233 N GLY A 82 -7.891 -11.682 0.594 1.00 0.00 N ATOM 1234 CA GLY A 82 -9.219 -11.759 1.174 1.00 0.00 C ATOM 1235 C GLY A 82 -9.654 -10.450 1.801 1.00 0.00 C ATOM 1236 O GLY A 82 -10.520 -10.431 2.676 1.00 0.00 O ATOM 0 H GLY A 82 -7.855 -11.823 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.934 -12.044 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.237 -12.544 1.930 1.00 0.00 H new ATOM 1240 N ARG A 83 -9.052 -9.352 1.355 1.00 0.00 N ATOM 1241 CA ARG A 83 -9.381 -8.033 1.880 1.00 0.00 C ATOM 1242 C ARG A 83 -9.286 -6.973 0.787 1.00 0.00 C ATOM 1243 O ARG A 83 -8.537 -7.127 -0.177 1.00 0.00 O ATOM 1244 CB ARG A 83 -8.445 -7.673 3.036 1.00 0.00 C ATOM 1245 CG ARG A 83 -8.966 -8.103 4.398 1.00 0.00 C ATOM 1246 CD ARG A 83 -8.482 -7.172 5.498 1.00 0.00 C ATOM 1247 NE ARG A 83 -8.606 -7.778 6.821 1.00 0.00 N ATOM 1248 CZ ARG A 83 -9.749 -7.843 7.496 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -10.860 -7.343 6.974 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -9.782 -8.411 8.695 1.00 0.00 N ATOM 0 H ARG A 83 -8.334 -9.350 0.631 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.407 -8.061 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.474 -8.138 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.286 -6.595 3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.056 -8.116 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.637 -9.120 4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.440 -6.907 5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.056 -6.246 5.468 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.769 -8.173 7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.839 -6.907 6.052 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.736 -7.394 7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.929 -8.798 9.099 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.660 -8.460 9.212 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.053 -5.898 0.944 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.056 -4.814 -0.031 1.00 0.00 C ATOM 1266 C GLU A 84 -8.983 -3.781 0.300 1.00 0.00 C ATOM 1267 O GLU A 84 -9.249 -2.789 0.980 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.430 -4.142 -0.076 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.709 -3.414 -1.380 1.00 0.00 C ATOM 1270 CD GLU A 84 -13.184 -3.123 -1.581 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -13.667 -2.107 -1.039 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -13.855 -3.911 -2.280 1.00 0.00 O ATOM 0 H GLU A 84 -10.679 -5.755 1.736 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.836 -5.240 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.200 -4.898 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.506 -3.434 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.152 -2.477 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.344 -4.015 -2.213 1.00 0.00 H new ATOM 1279 N LEU A 85 -7.769 -4.020 -0.184 1.00 0.00 N ATOM 1280 CA LEU A 85 -6.654 -3.112 0.060 1.00 0.00 C ATOM 1281 C LEU A 85 -7.027 -1.680 -0.312 1.00 0.00 C ATOM 1282 O LEU A 85 -7.079 -1.328 -1.491 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.426 -3.555 -0.736 1.00 0.00 C ATOM 1284 CG LEU A 85 -4.803 -4.888 -0.323 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -3.705 -5.290 -1.296 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.256 -4.805 1.095 1.00 0.00 C ATOM 0 H LEU A 85 -7.532 -4.836 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.419 -3.142 1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.703 -3.617 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.665 -2.780 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.580 -5.652 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.274 -6.242 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.125 -5.392 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.928 -4.525 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.816 -5.763 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.494 -4.028 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.066 -4.565 1.784 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.283 -0.859 0.701 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.649 0.535 0.480 1.00 0.00 C ATOM 1300 C ARG A 86 -6.425 1.367 0.109 1.00 0.00 C ATOM 1301 O ARG A 86 -5.836 2.036 0.958 1.00 0.00 O ATOM 1302 CB ARG A 86 -8.313 1.114 1.731 1.00 0.00 C ATOM 1303 CG ARG A 86 -9.784 0.754 1.863 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.517 1.730 2.769 1.00 0.00 C ATOM 1305 NE ARG A 86 -10.218 1.498 4.179 1.00 0.00 N ATOM 1306 CZ ARG A 86 -10.762 2.196 5.170 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -11.629 3.163 4.906 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -10.439 1.926 6.429 1.00 0.00 N ATOM 0 H ARG A 86 -7.244 -1.135 1.682 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.356 0.572 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.780 0.758 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.213 2.199 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.249 0.752 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.878 -0.256 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.240 2.750 2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.591 1.639 2.606 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.555 0.760 4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.880 3.373 3.940 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.045 3.697 5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.773 1.182 6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.857 2.462 7.189 1.00 0.00 H new ATOM 1322 N VAL A 87 -6.047 1.319 -1.165 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.894 2.068 -1.649 1.00 0.00 C ATOM 1324 C VAL A 87 -5.306 3.446 -2.153 1.00 0.00 C ATOM 1325 O VAL A 87 -5.752 3.593 -3.291 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.170 1.315 -2.780 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.746 1.826 -2.936 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.181 -0.183 -2.515 1.00 0.00 C ATOM 0 H VAL A 87 -6.523 0.769 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.214 2.182 -0.805 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.701 1.500 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.250 1.282 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.765 2.889 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.201 1.674 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.665 -0.699 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.675 -0.389 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.211 -0.535 -2.459 1.00 0.00 H new ATOM 1338 N GLN A 88 -5.153 4.453 -1.299 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.510 5.821 -1.659 1.00 0.00 C ATOM 1340 C GLN A 88 -4.291 6.735 -1.598 1.00 0.00 C ATOM 1341 O GLN A 88 -3.177 6.285 -1.331 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.604 6.346 -0.728 1.00 0.00 C ATOM 1343 CG GLN A 88 -7.945 5.657 -0.916 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.944 6.019 0.166 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.606 6.695 1.138 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -10.183 5.571 0.002 1.00 0.00 N ATOM 0 H GLN A 88 -4.785 4.348 -0.354 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.886 5.815 -2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.282 6.219 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.728 7.416 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.355 5.928 -1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.797 4.577 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.419 5.014 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.899 5.784 0.697 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.510 8.022 -1.849 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.429 9.001 -1.822 1.00 0.00 C ATOM 1357 C VAL A 89 -3.464 9.823 -0.539 1.00 0.00 C ATOM 1358 O VAL A 89 -4.520 10.300 -0.124 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.504 9.953 -3.031 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.221 10.761 -3.154 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.777 9.172 -4.307 1.00 0.00 C ATOM 0 H VAL A 89 -5.426 8.411 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.494 8.442 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.329 10.648 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.292 11.428 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.074 11.350 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.377 10.085 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.827 9.860 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.975 8.453 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.725 8.643 -4.214 1.00 0.00 H new