USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 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 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.58) USER MOD Single : A 17 SER OG : rot 180:sc= 0.03 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.911 USER MOD Single : A 27 GLN : amide:sc=-0.00203 K(o=-0.002,f=-0.93) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0362 K(o=-0.036,f=-0.56) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.562 USER MOD Single : A 39 LYS NZ :NH3+ -112:sc= 0.248 (180deg=-0.479) USER MOD Single : A 40 MET CE :methyl -133:sc= -4.02! (180deg=-5.23!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 51 CYS SG : rot 80:sc= -1.99 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.89 K(o=0.89,f=-2.7!) USER MOD Single : A 68 MET CE :methyl 159:sc= -2.62 (180deg=-4.14!) USER MOD Single : A 69 ASN : amide:sc= -0.59 K(o=-0.59,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ -119:sc= -1.22! (180deg=-1.45) USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -0.0486 (180deg=-0.338) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.858 -0.371 -4.799 1.00 0.00 N ATOM 164 CA PRO A 8 -8.413 -0.135 -4.747 1.00 0.00 C ATOM 165 C PRO A 8 -7.628 -1.408 -4.444 1.00 0.00 C ATOM 166 O PRO A 8 -8.017 -2.196 -3.582 1.00 0.00 O ATOM 167 CB PRO A 8 -8.258 0.873 -3.606 1.00 0.00 C ATOM 168 CG PRO A 8 -9.447 0.648 -2.737 1.00 0.00 C ATOM 169 CD PRO A 8 -10.563 0.243 -3.660 1.00 0.00 C ATOM 0 HA PRO A 8 -8.024 0.219 -5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.330 0.710 -3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.231 1.896 -3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.249 -0.129 -1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.705 1.553 -2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.244 -0.461 -3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.158 1.101 -3.971 1.00 0.00 H new ATOM 177 N ARG A 9 -6.524 -1.601 -5.157 1.00 0.00 N ATOM 178 CA ARG A 9 -5.686 -2.779 -4.964 1.00 0.00 C ATOM 179 C ARG A 9 -4.215 -2.387 -4.858 1.00 0.00 C ATOM 180 O ARG A 9 -3.326 -3.227 -5.001 1.00 0.00 O ATOM 181 CB ARG A 9 -5.881 -3.764 -6.118 1.00 0.00 C ATOM 182 CG ARG A 9 -7.252 -4.420 -6.133 1.00 0.00 C ATOM 183 CD ARG A 9 -7.403 -5.366 -7.314 1.00 0.00 C ATOM 184 NE ARG A 9 -8.772 -5.858 -7.449 1.00 0.00 N ATOM 185 CZ ARG A 9 -9.785 -5.106 -7.866 1.00 0.00 C ATOM 186 NH1 ARG A 9 -9.585 -3.837 -8.186 1.00 0.00 N ATOM 187 NH2 ARG A 9 -11.003 -5.627 -7.962 1.00 0.00 N ATOM 0 H ARG A 9 -6.188 -0.957 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.985 -3.259 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.728 -3.240 -7.062 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.117 -4.539 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.404 -4.969 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.024 -3.652 -6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.110 -4.852 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.725 -6.210 -7.191 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.960 -6.832 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.651 -3.434 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.365 -3.263 -8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.161 -6.604 -7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.781 -5.050 -8.282 1.00 0.00 H new ATOM 201 N THR A 10 -3.965 -1.106 -4.605 1.00 0.00 N ATOM 202 CA THR A 10 -2.603 -0.603 -4.481 1.00 0.00 C ATOM 203 C THR A 10 -2.371 0.024 -3.111 1.00 0.00 C ATOM 204 O THR A 10 -3.223 0.749 -2.597 1.00 0.00 O ATOM 205 CB THR A 10 -2.288 0.439 -5.571 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.668 -0.065 -6.856 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.807 0.789 -5.574 1.00 0.00 C ATOM 0 H THR A 10 -4.689 -0.398 -4.482 1.00 0.00 H new ATOM 0 HA THR A 10 -1.938 -1.458 -4.603 1.00 0.00 H new ATOM 0 HB THR A 10 -2.858 1.343 -5.354 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.466 0.604 -7.543 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.609 1.526 -6.352 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.529 1.201 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.221 -0.109 -5.768 1.00 0.00 H new ATOM 215 N LEU A 11 -1.213 -0.259 -2.525 1.00 0.00 N ATOM 216 CA LEU A 11 -0.867 0.279 -1.214 1.00 0.00 C ATOM 217 C LEU A 11 0.525 0.901 -1.230 1.00 0.00 C ATOM 218 O LEU A 11 1.471 0.319 -1.760 1.00 0.00 O ATOM 219 CB LEU A 11 -0.933 -0.823 -0.156 1.00 0.00 C ATOM 220 CG LEU A 11 -1.941 -1.944 -0.416 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.653 -3.139 0.481 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.362 -1.443 -0.201 1.00 0.00 C ATOM 0 H LEU A 11 -0.498 -0.858 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.589 1.057 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.058 -1.267 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.170 -0.364 0.804 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.843 -2.263 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.380 -3.927 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.649 -3.512 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.724 -2.835 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.066 -2.253 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.474 -1.097 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.565 -0.619 -0.885 1.00 0.00 H new ATOM 234 N TYR A 12 0.643 2.088 -0.644 1.00 0.00 N ATOM 235 CA TYR A 12 1.919 2.791 -0.590 1.00 0.00 C ATOM 236 C TYR A 12 2.664 2.470 0.701 1.00 0.00 C ATOM 237 O TYR A 12 2.139 2.657 1.798 1.00 0.00 O ATOM 238 CB TYR A 12 1.700 4.300 -0.705 1.00 0.00 C ATOM 239 CG TYR A 12 2.789 5.122 -0.052 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.785 5.352 1.319 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.822 5.665 -0.805 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.777 6.103 1.919 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.819 6.416 -0.213 1.00 0.00 C ATOM 244 CZ TYR A 12 4.792 6.632 1.149 1.00 0.00 C ATOM 245 OH TYR A 12 5.783 7.379 1.744 1.00 0.00 O ATOM 0 H TYR A 12 -0.130 2.583 -0.200 1.00 0.00 H new ATOM 0 HA TYR A 12 2.526 2.454 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.635 4.570 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.742 4.555 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.993 4.937 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.846 5.497 -1.872 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.758 6.275 2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.615 6.832 -0.813 1.00 0.00 H new ATOM 0 HH TYR A 12 6.422 7.677 1.063 1.00 0.00 H new ATOM 255 N VAL A 13 3.895 1.986 0.563 1.00 0.00 N ATOM 256 CA VAL A 13 4.715 1.639 1.718 1.00 0.00 C ATOM 257 C VAL A 13 5.813 2.673 1.941 1.00 0.00 C ATOM 258 O VAL A 13 6.679 2.868 1.088 1.00 0.00 O ATOM 259 CB VAL A 13 5.357 0.250 1.554 1.00 0.00 C ATOM 260 CG1 VAL A 13 6.083 -0.157 2.827 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.306 -0.782 1.177 1.00 0.00 C ATOM 0 H VAL A 13 4.346 1.825 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 13 4.053 1.623 2.584 1.00 0.00 H new ATOM 0 HB VAL A 13 6.089 0.301 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.530 -1.142 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.865 0.570 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.375 -0.191 3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.778 -1.758 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.549 -0.833 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.837 -0.496 0.236 1.00 0.00 H new ATOM 271 N GLY A 14 5.773 3.334 3.094 1.00 0.00 N ATOM 272 CA GLY A 14 6.770 4.339 3.409 1.00 0.00 C ATOM 273 C GLY A 14 7.463 4.074 4.730 1.00 0.00 C ATOM 274 O GLY A 14 7.032 3.221 5.505 1.00 0.00 O ATOM 0 H GLY A 14 5.067 3.191 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.513 4.371 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.295 5.320 3.442 1.00 0.00 H new ATOM 278 N ASN A 15 8.543 4.806 4.989 1.00 0.00 N ATOM 279 CA ASN A 15 9.299 4.643 6.225 1.00 0.00 C ATOM 280 C ASN A 15 10.027 3.303 6.245 1.00 0.00 C ATOM 281 O ASN A 15 10.064 2.620 7.270 1.00 0.00 O ATOM 282 CB ASN A 15 8.367 4.749 7.434 1.00 0.00 C ATOM 283 CG ASN A 15 9.087 5.229 8.679 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.002 6.400 9.047 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.803 4.322 9.335 1.00 0.00 N ATOM 0 H ASN A 15 8.913 5.517 4.359 1.00 0.00 H new ATOM 0 HA ASN A 15 10.041 5.439 6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.552 5.435 7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.918 3.775 7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.310 4.586 10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.846 3.362 8.994 1.00 0.00 H new ATOM 292 N LEU A 16 10.605 2.932 5.108 1.00 0.00 N ATOM 293 CA LEU A 16 11.334 1.674 4.994 1.00 0.00 C ATOM 294 C LEU A 16 12.824 1.883 5.242 1.00 0.00 C ATOM 295 O LEU A 16 13.387 2.912 4.869 1.00 0.00 O ATOM 296 CB LEU A 16 11.117 1.060 3.610 1.00 0.00 C ATOM 297 CG LEU A 16 9.666 0.770 3.224 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.517 0.709 1.712 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.194 -0.530 3.861 1.00 0.00 C ATOM 0 H LEU A 16 10.583 3.485 4.251 1.00 0.00 H new ATOM 0 HA LEU A 16 10.951 0.991 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.542 1.733 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.680 0.128 3.556 1.00 0.00 H new ATOM 0 HG LEU A 16 9.042 1.582 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.478 0.502 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.814 1.664 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.153 -0.083 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.159 -0.720 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.822 -1.352 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.262 -0.449 4.946 1.00 0.00 H new ATOM 311 N SER A 17 13.457 0.900 5.874 1.00 0.00 N ATOM 312 CA SER A 17 14.882 0.976 6.174 1.00 0.00 C ATOM 313 C SER A 17 15.712 0.874 4.897 1.00 0.00 C ATOM 314 O SER A 17 15.415 0.068 4.014 1.00 0.00 O ATOM 315 CB SER A 17 15.281 -0.135 7.145 1.00 0.00 C ATOM 316 OG SER A 17 16.691 -0.239 7.250 1.00 0.00 O ATOM 0 H SER A 17 13.005 0.041 6.188 1.00 0.00 H new ATOM 0 HA SER A 17 15.079 1.942 6.639 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.854 0.066 8.128 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.867 -1.085 6.806 1.00 0.00 H new ATOM 0 HG SER A 17 16.920 -0.956 7.878 1.00 0.00 H new ATOM 322 N ARG A 18 16.752 1.696 4.807 1.00 0.00 N ATOM 323 CA ARG A 18 17.625 1.700 3.639 1.00 0.00 C ATOM 324 C ARG A 18 17.996 0.276 3.233 1.00 0.00 C ATOM 325 O ARG A 18 18.379 0.026 2.091 1.00 0.00 O ATOM 326 CB ARG A 18 18.892 2.507 3.925 1.00 0.00 C ATOM 327 CG ARG A 18 19.481 3.173 2.693 1.00 0.00 C ATOM 328 CD ARG A 18 18.921 4.573 2.494 1.00 0.00 C ATOM 329 NE ARG A 18 19.672 5.326 1.495 1.00 0.00 N ATOM 330 CZ ARG A 18 19.540 5.146 0.185 1.00 0.00 C ATOM 331 NH1 ARG A 18 18.688 4.242 -0.280 1.00 0.00 N ATOM 332 NH2 ARG A 18 20.258 5.871 -0.662 1.00 0.00 N ATOM 0 H ARG A 18 17.011 2.368 5.529 1.00 0.00 H new ATOM 0 HA ARG A 18 17.085 2.166 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.665 3.272 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.641 1.848 4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.566 3.224 2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.267 2.566 1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.877 4.506 2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.941 5.109 3.443 1.00 0.00 H new ATOM 0 HE ARG A 18 20.335 6.030 1.820 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.133 3.684 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.588 4.105 -1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.913 6.568 -0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.155 5.731 -1.667 1.00 0.00 H new ATOM 346 N ASP A 19 17.879 -0.652 4.177 1.00 0.00 N ATOM 347 CA ASP A 19 18.202 -2.050 3.919 1.00 0.00 C ATOM 348 C ASP A 19 17.054 -2.748 3.195 1.00 0.00 C ATOM 349 O ASP A 19 17.275 -3.602 2.336 1.00 0.00 O ATOM 350 CB ASP A 19 18.510 -2.775 5.229 1.00 0.00 C ATOM 351 CG ASP A 19 19.767 -2.253 5.898 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.862 -2.440 5.331 1.00 0.00 O ATOM 353 OD2 ASP A 19 19.654 -1.658 6.990 1.00 0.00 O ATOM 0 H ASP A 19 17.563 -0.461 5.128 1.00 0.00 H new ATOM 0 HA ASP A 19 19.084 -2.081 3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.666 -2.663 5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.622 -3.841 5.033 1.00 0.00 H new ATOM 358 N VAL A 20 15.826 -2.378 3.548 1.00 0.00 N ATOM 359 CA VAL A 20 14.645 -2.968 2.932 1.00 0.00 C ATOM 360 C VAL A 20 14.831 -3.129 1.428 1.00 0.00 C ATOM 361 O VAL A 20 15.406 -2.265 0.765 1.00 0.00 O ATOM 362 CB VAL A 20 13.390 -2.113 3.194 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.232 -2.586 2.330 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.017 -2.154 4.669 1.00 0.00 C ATOM 0 H VAL A 20 15.625 -1.673 4.257 1.00 0.00 H new ATOM 0 HA VAL A 20 14.509 -3.950 3.385 1.00 0.00 H new ATOM 0 HB VAL A 20 13.613 -1.080 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.355 -1.971 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.504 -2.501 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.006 -3.626 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.129 -1.545 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.812 -3.183 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.842 -1.763 5.264 1.00 0.00 H new ATOM 374 N THR A 21 14.339 -4.243 0.892 1.00 0.00 N ATOM 375 CA THR A 21 14.451 -4.518 -0.535 1.00 0.00 C ATOM 376 C THR A 21 13.093 -4.863 -1.137 1.00 0.00 C ATOM 377 O THR A 21 12.186 -5.303 -0.432 1.00 0.00 O ATOM 378 CB THR A 21 15.429 -5.676 -0.807 1.00 0.00 C ATOM 379 OG1 THR A 21 15.234 -6.720 0.153 1.00 0.00 O ATOM 380 CG2 THR A 21 16.871 -5.192 -0.751 1.00 0.00 C ATOM 0 H THR A 21 13.860 -4.968 1.425 1.00 0.00 H new ATOM 0 HA THR A 21 14.833 -3.611 -1.003 1.00 0.00 H new ATOM 0 HB THR A 21 15.230 -6.061 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.859 -7.453 -0.029 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.543 -6.028 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.025 -4.419 -1.504 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.079 -4.782 0.237 1.00 0.00 H new ATOM 388 N GLU A 22 12.962 -4.659 -2.444 1.00 0.00 N ATOM 389 CA GLU A 22 11.713 -4.949 -3.139 1.00 0.00 C ATOM 390 C GLU A 22 11.277 -6.392 -2.897 1.00 0.00 C ATOM 391 O GLU A 22 10.104 -6.663 -2.642 1.00 0.00 O ATOM 392 CB GLU A 22 11.870 -4.696 -4.640 1.00 0.00 C ATOM 393 CG GLU A 22 10.680 -5.162 -5.462 1.00 0.00 C ATOM 394 CD GLU A 22 10.808 -6.605 -5.910 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.569 -7.507 -5.080 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.147 -6.832 -7.089 1.00 0.00 O ATOM 0 H GLU A 22 13.704 -4.295 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 22 10.944 -4.285 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.021 -3.629 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.767 -5.204 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.770 -5.048 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.575 -4.522 -6.338 1.00 0.00 H new ATOM 403 N VAL A 23 12.232 -7.314 -2.980 1.00 0.00 N ATOM 404 CA VAL A 23 11.949 -8.728 -2.769 1.00 0.00 C ATOM 405 C VAL A 23 11.499 -8.991 -1.337 1.00 0.00 C ATOM 406 O VAL A 23 10.621 -9.820 -1.093 1.00 0.00 O ATOM 407 CB VAL A 23 13.181 -9.599 -3.077 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.357 -9.187 -2.204 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.853 -11.072 -2.885 1.00 0.00 C ATOM 0 H VAL A 23 13.208 -7.106 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 23 11.144 -8.995 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 23 13.462 -9.446 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.219 -9.813 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.605 -8.143 -2.396 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.091 -9.309 -1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.735 -11.673 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.546 -11.245 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.043 -11.355 -3.557 1.00 0.00 H new ATOM 419 N LEU A 24 12.105 -8.280 -0.392 1.00 0.00 N ATOM 420 CA LEU A 24 11.766 -8.436 1.018 1.00 0.00 C ATOM 421 C LEU A 24 10.299 -8.099 1.267 1.00 0.00 C ATOM 422 O LEU A 24 9.569 -8.877 1.882 1.00 0.00 O ATOM 423 CB LEU A 24 12.659 -7.541 1.879 1.00 0.00 C ATOM 424 CG LEU A 24 12.665 -7.843 3.378 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.722 -7.009 4.085 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.291 -7.586 3.980 1.00 0.00 C ATOM 0 H LEU A 24 12.833 -7.590 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 24 11.932 -9.478 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.681 -7.618 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.346 -6.506 1.738 1.00 0.00 H new ATOM 0 HG LEU A 24 12.909 -8.896 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.712 -7.237 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.704 -7.241 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.508 -5.950 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.314 -7.806 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.018 -6.541 3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.555 -8.226 3.493 1.00 0.00 H new ATOM 438 N ILE A 25 9.873 -6.937 0.782 1.00 0.00 N ATOM 439 CA ILE A 25 8.493 -6.500 0.948 1.00 0.00 C ATOM 440 C ILE A 25 7.520 -7.511 0.351 1.00 0.00 C ATOM 441 O ILE A 25 6.539 -7.897 0.988 1.00 0.00 O ATOM 442 CB ILE A 25 8.254 -5.126 0.294 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.008 -4.035 1.059 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.767 -4.815 0.245 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.358 -3.659 2.372 1.00 0.00 C ATOM 0 H ILE A 25 10.464 -6.282 0.271 1.00 0.00 H new ATOM 0 HA ILE A 25 8.316 -6.418 2.020 1.00 0.00 H new ATOM 0 HB ILE A 25 8.633 -5.155 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.026 -4.374 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.081 -3.147 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.614 -3.841 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.254 -5.580 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.365 -4.801 1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.946 -2.881 2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.350 -3.289 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.309 -4.536 3.018 1.00 0.00 H new ATOM 457 N LEU A 26 7.799 -7.937 -0.877 1.00 0.00 N ATOM 458 CA LEU A 26 6.950 -8.906 -1.561 1.00 0.00 C ATOM 459 C LEU A 26 6.839 -10.197 -0.757 1.00 0.00 C ATOM 460 O LEU A 26 5.811 -10.873 -0.791 1.00 0.00 O ATOM 461 CB LEU A 26 7.504 -9.205 -2.954 1.00 0.00 C ATOM 462 CG LEU A 26 7.188 -8.174 -4.039 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.839 -8.568 -5.355 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.683 -8.024 -4.210 1.00 0.00 C ATOM 0 H LEU A 26 8.606 -7.627 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 26 5.954 -8.474 -1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.587 -9.303 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.118 -10.172 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 26 7.596 -7.212 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.603 -7.823 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.920 -8.623 -5.224 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.461 -9.541 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.477 -7.287 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.252 -8.983 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.241 -7.695 -3.270 1.00 0.00 H new ATOM 476 N GLN A 27 7.902 -10.531 -0.033 1.00 0.00 N ATOM 477 CA GLN A 27 7.923 -11.740 0.781 1.00 0.00 C ATOM 478 C GLN A 27 6.963 -11.619 1.960 1.00 0.00 C ATOM 479 O GLN A 27 6.159 -12.517 2.214 1.00 0.00 O ATOM 480 CB GLN A 27 9.339 -12.015 1.287 1.00 0.00 C ATOM 481 CG GLN A 27 10.234 -12.687 0.257 1.00 0.00 C ATOM 482 CD GLN A 27 10.106 -14.197 0.269 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.125 -14.745 0.772 1.00 0.00 O ATOM 484 NE2 GLN A 27 11.100 -14.880 -0.287 1.00 0.00 N ATOM 0 H GLN A 27 8.760 -9.981 0.006 1.00 0.00 H new ATOM 0 HA GLN A 27 7.600 -12.573 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.795 -11.074 1.594 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.283 -12.646 2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.983 -12.313 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.271 -12.413 0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.894 -14.385 -0.692 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.069 -15.899 -0.309 1.00 0.00 H new ATOM 493 N LEU A 28 7.055 -10.505 2.678 1.00 0.00 N ATOM 494 CA LEU A 28 6.194 -10.267 3.832 1.00 0.00 C ATOM 495 C LEU A 28 4.733 -10.152 3.407 1.00 0.00 C ATOM 496 O LEU A 28 3.851 -10.764 4.010 1.00 0.00 O ATOM 497 CB LEU A 28 6.627 -8.993 4.561 1.00 0.00 C ATOM 498 CG LEU A 28 8.126 -8.848 4.826 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.404 -7.598 5.646 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.664 -10.084 5.533 1.00 0.00 C ATOM 0 H LEU A 28 7.716 -9.753 2.482 1.00 0.00 H new ATOM 0 HA LEU A 28 6.290 -11.116 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.297 -8.134 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.104 -8.949 5.516 1.00 0.00 H new ATOM 0 HG LEU A 28 8.638 -8.750 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.476 -7.511 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.055 -6.721 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.881 -7.665 6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.732 -9.964 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.147 -10.213 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.498 -10.962 4.908 1.00 0.00 H new ATOM 512 N PHE A 29 4.486 -9.366 2.366 1.00 0.00 N ATOM 513 CA PHE A 29 3.131 -9.172 1.860 1.00 0.00 C ATOM 514 C PHE A 29 2.606 -10.448 1.209 1.00 0.00 C ATOM 515 O PHE A 29 1.416 -10.754 1.290 1.00 0.00 O ATOM 516 CB PHE A 29 3.101 -8.022 0.850 1.00 0.00 C ATOM 517 CG PHE A 29 3.069 -6.664 1.490 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.183 -6.165 2.145 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.923 -5.885 1.437 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.157 -4.915 2.734 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.890 -4.635 2.023 1.00 0.00 C ATOM 522 CZ PHE A 29 3.008 -4.149 2.674 1.00 0.00 C ATOM 0 H PHE A 29 5.205 -8.853 1.856 1.00 0.00 H new ATOM 0 HA PHE A 29 2.487 -8.923 2.704 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.978 -8.091 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.226 -8.134 0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.083 -6.760 2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.046 -6.260 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.033 -4.537 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.992 -4.038 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.984 -3.173 3.135 1.00 0.00 H new ATOM 532 N SER A 30 3.501 -11.188 0.563 1.00 0.00 N ATOM 533 CA SER A 30 3.128 -12.430 -0.105 1.00 0.00 C ATOM 534 C SER A 30 2.541 -13.426 0.890 1.00 0.00 C ATOM 535 O SER A 30 1.636 -14.191 0.556 1.00 0.00 O ATOM 536 CB SER A 30 4.343 -13.044 -0.802 1.00 0.00 C ATOM 537 OG SER A 30 4.149 -14.427 -1.041 1.00 0.00 O ATOM 0 H SER A 30 4.490 -10.949 0.488 1.00 0.00 H new ATOM 0 HA SER A 30 2.369 -12.198 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.522 -12.530 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.231 -12.899 -0.187 1.00 0.00 H new ATOM 0 HG SER A 30 4.939 -14.796 -1.489 1.00 0.00 H new ATOM 543 N GLN A 31 3.063 -13.411 2.112 1.00 0.00 N ATOM 544 CA GLN A 31 2.591 -14.315 3.155 1.00 0.00 C ATOM 545 C GLN A 31 1.104 -14.107 3.424 1.00 0.00 C ATOM 546 O GLN A 31 0.397 -15.038 3.807 1.00 0.00 O ATOM 547 CB GLN A 31 3.390 -14.102 4.442 1.00 0.00 C ATOM 548 CG GLN A 31 4.857 -14.482 4.318 1.00 0.00 C ATOM 549 CD GLN A 31 5.459 -14.924 5.637 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.863 -15.713 6.371 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.647 -14.417 5.945 1.00 0.00 N ATOM 0 H GLN A 31 3.812 -12.784 2.404 1.00 0.00 H new ATOM 0 HA GLN A 31 2.738 -15.338 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.318 -13.055 4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.938 -14.689 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.960 -15.286 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.418 -13.630 3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.105 -13.766 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.102 -14.678 6.820 1.00 0.00 H new ATOM 560 N ILE A 32 0.639 -12.878 3.222 1.00 0.00 N ATOM 561 CA ILE A 32 -0.764 -12.549 3.442 1.00 0.00 C ATOM 562 C ILE A 32 -1.597 -12.830 2.196 1.00 0.00 C ATOM 563 O ILE A 32 -2.621 -13.509 2.261 1.00 0.00 O ATOM 564 CB ILE A 32 -0.940 -11.071 3.840 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.151 -10.767 5.116 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.414 -10.746 4.031 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.044 -9.290 5.422 1.00 0.00 C ATOM 0 H ILE A 32 1.212 -12.095 2.907 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.112 -13.181 4.259 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.552 -10.444 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.628 -11.271 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.852 -11.184 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.522 -9.698 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.951 -10.929 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.827 -11.377 4.818 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.528 -9.149 6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.460 -8.783 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.042 -8.871 5.549 1.00 0.00 H new ATOM 579 N GLY A 33 -1.150 -12.304 1.060 1.00 0.00 N ATOM 580 CA GLY A 33 -1.865 -12.510 -0.186 1.00 0.00 C ATOM 581 C GLY A 33 -0.968 -12.371 -1.399 1.00 0.00 C ATOM 582 O GLY A 33 0.189 -11.962 -1.298 1.00 0.00 O ATOM 0 H GLY A 33 -0.305 -11.738 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.315 -13.503 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.680 -11.790 -0.257 1.00 0.00 H new ATOM 586 N PRO A 34 -1.503 -12.717 -2.580 1.00 0.00 N ATOM 587 CA PRO A 34 -0.760 -12.637 -3.841 1.00 0.00 C ATOM 588 C PRO A 34 -0.501 -11.198 -4.270 1.00 0.00 C ATOM 589 O PRO A 34 -1.431 -10.404 -4.410 1.00 0.00 O ATOM 590 CB PRO A 34 -1.684 -13.336 -4.841 1.00 0.00 C ATOM 591 CG PRO A 34 -3.050 -13.183 -4.267 1.00 0.00 C ATOM 592 CD PRO A 34 -2.877 -13.212 -2.774 1.00 0.00 C ATOM 0 HA PRO A 34 0.228 -13.092 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.616 -12.879 -5.828 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.419 -14.387 -4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.506 -12.247 -4.589 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.706 -13.988 -4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.607 -12.577 -2.272 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.002 -14.218 -2.374 1.00 0.00 H new ATOM 600 N CYS A 35 0.770 -10.867 -4.478 1.00 0.00 N ATOM 601 CA CYS A 35 1.152 -9.522 -4.892 1.00 0.00 C ATOM 602 C CYS A 35 1.314 -9.445 -6.406 1.00 0.00 C ATOM 603 O CYS A 35 2.141 -10.147 -6.991 1.00 0.00 O ATOM 604 CB CYS A 35 2.454 -9.105 -4.206 1.00 0.00 C ATOM 605 SG CYS A 35 2.396 -9.190 -2.400 1.00 0.00 S ATOM 0 H CYS A 35 1.552 -11.512 -4.367 1.00 0.00 H new ATOM 0 HA CYS A 35 0.358 -8.838 -4.594 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.261 -9.744 -4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.699 -8.085 -4.504 1.00 0.00 H new ATOM 0 HG CYS A 35 3.543 -8.821 -1.911 1.00 0.00 H new ATOM 611 N LYS A 36 0.518 -8.589 -7.038 1.00 0.00 N ATOM 612 CA LYS A 36 0.572 -8.419 -8.486 1.00 0.00 C ATOM 613 C LYS A 36 1.934 -7.887 -8.921 1.00 0.00 C ATOM 614 O LYS A 36 2.565 -8.436 -9.824 1.00 0.00 O ATOM 615 CB LYS A 36 -0.532 -7.465 -8.949 1.00 0.00 C ATOM 616 CG LYS A 36 -0.876 -7.603 -10.422 1.00 0.00 C ATOM 617 CD LYS A 36 -1.920 -8.683 -10.651 1.00 0.00 C ATOM 618 CE LYS A 36 -2.332 -8.759 -12.113 1.00 0.00 C ATOM 619 NZ LYS A 36 -1.346 -9.524 -12.927 1.00 0.00 N ATOM 0 H LYS A 36 -0.173 -8.002 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 36 0.419 -9.394 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.429 -7.646 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.221 -6.439 -8.752 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.247 -6.651 -10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.025 -7.841 -10.987 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.523 -9.647 -10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.796 -8.480 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.311 -9.231 -12.190 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.431 -7.751 -12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.662 -9.554 -13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.417 -9.060 -12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.270 -10.494 -12.559 1.00 0.00 H new ATOM 633 N SER A 37 2.381 -6.817 -8.272 1.00 0.00 N ATOM 634 CA SER A 37 3.667 -6.210 -8.595 1.00 0.00 C ATOM 635 C SER A 37 4.103 -5.244 -7.497 1.00 0.00 C ATOM 636 O SER A 37 3.272 -4.589 -6.867 1.00 0.00 O ATOM 637 CB SER A 37 3.588 -5.475 -9.934 1.00 0.00 C ATOM 638 OG SER A 37 4.855 -5.427 -10.566 1.00 0.00 O ATOM 0 H SER A 37 1.872 -6.353 -7.520 1.00 0.00 H new ATOM 0 HA SER A 37 4.407 -7.007 -8.670 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.872 -5.976 -10.586 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.219 -4.462 -9.775 1.00 0.00 H new ATOM 0 HG SER A 37 4.777 -4.954 -11.420 1.00 0.00 H new ATOM 644 N CYS A 38 5.410 -5.163 -7.273 1.00 0.00 N ATOM 645 CA CYS A 38 5.957 -4.278 -6.251 1.00 0.00 C ATOM 646 C CYS A 38 7.015 -3.353 -6.843 1.00 0.00 C ATOM 647 O CYS A 38 7.922 -3.798 -7.547 1.00 0.00 O ATOM 648 CB CYS A 38 6.560 -5.097 -5.108 1.00 0.00 C ATOM 649 SG CYS A 38 7.412 -4.105 -3.859 1.00 0.00 S ATOM 0 H CYS A 38 6.110 -5.699 -7.785 1.00 0.00 H new ATOM 0 HA CYS A 38 5.143 -3.667 -5.861 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.766 -5.666 -4.625 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.262 -5.819 -5.524 1.00 0.00 H new ATOM 0 HG CYS A 38 7.885 -4.886 -2.934 1.00 0.00 H new ATOM 655 N LYS A 39 6.892 -2.062 -6.554 1.00 0.00 N ATOM 656 CA LYS A 39 7.836 -1.072 -7.057 1.00 0.00 C ATOM 657 C LYS A 39 8.517 -0.336 -5.907 1.00 0.00 C ATOM 658 O LYS A 39 7.868 0.386 -5.150 1.00 0.00 O ATOM 659 CB LYS A 39 7.121 -0.069 -7.966 1.00 0.00 C ATOM 660 CG LYS A 39 8.022 1.043 -8.473 1.00 0.00 C ATOM 661 CD LYS A 39 7.399 1.773 -9.651 1.00 0.00 C ATOM 662 CE LYS A 39 6.374 2.798 -9.191 1.00 0.00 C ATOM 663 NZ LYS A 39 5.008 2.212 -9.092 1.00 0.00 N ATOM 0 H LYS A 39 6.147 -1.677 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 39 8.599 -1.595 -7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.700 -0.601 -8.819 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.286 0.371 -7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.217 1.751 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.984 0.626 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.180 2.270 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.922 1.053 -10.316 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.669 3.196 -8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.360 3.636 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.398 2.628 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.061 1.182 -9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.610 2.416 -8.153 1.00 0.00 H new ATOM 677 N MET A 40 9.827 -0.521 -5.785 1.00 0.00 N ATOM 678 CA MET A 40 10.595 0.128 -4.729 1.00 0.00 C ATOM 679 C MET A 40 11.308 1.369 -5.259 1.00 0.00 C ATOM 680 O MET A 40 12.162 1.276 -6.141 1.00 0.00 O ATOM 681 CB MET A 40 11.616 -0.847 -4.138 1.00 0.00 C ATOM 682 CG MET A 40 12.717 -0.165 -3.342 1.00 0.00 C ATOM 683 SD MET A 40 13.695 -1.329 -2.373 1.00 0.00 S ATOM 684 CE MET A 40 12.649 -1.536 -0.934 1.00 0.00 C ATOM 0 H MET A 40 10.379 -1.115 -6.404 1.00 0.00 H new ATOM 0 HA MET A 40 9.901 0.435 -3.946 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.098 -1.556 -3.492 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.067 -1.423 -4.946 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.373 0.375 -4.025 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.273 0.574 -2.675 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.252 -1.449 -0.030 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.878 -0.766 -0.931 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.180 -2.519 -0.964 1.00 0.00 H new ATOM 694 N ILE A 41 10.951 2.528 -4.716 1.00 0.00 N ATOM 695 CA ILE A 41 11.558 3.785 -5.135 1.00 0.00 C ATOM 696 C ILE A 41 12.502 4.323 -4.065 1.00 0.00 C ATOM 697 O ILE A 41 12.109 4.517 -2.914 1.00 0.00 O ATOM 698 CB ILE A 41 10.489 4.851 -5.443 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.356 4.242 -6.273 1.00 0.00 C ATOM 700 CG2 ILE A 41 11.113 6.031 -6.172 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.473 5.276 -6.939 1.00 0.00 C ATOM 0 H ILE A 41 10.245 2.622 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 41 12.123 3.575 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 41 10.072 5.210 -4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.784 3.594 -7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.742 3.612 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.345 6.776 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.888 6.476 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.553 5.689 -7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.692 4.774 -7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.016 5.909 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.074 5.891 -7.609 1.00 0.00 H new ATOM 810 N PRO A 49 13.231 5.579 1.934 1.00 0.00 N ATOM 811 CA PRO A 49 12.619 5.216 0.653 1.00 0.00 C ATOM 812 C PRO A 49 11.192 4.703 0.815 1.00 0.00 C ATOM 813 O PRO A 49 10.702 4.551 1.935 1.00 0.00 O ATOM 814 CB PRO A 49 13.530 4.103 0.126 1.00 0.00 C ATOM 815 CG PRO A 49 14.149 3.513 1.346 1.00 0.00 C ATOM 816 CD PRO A 49 14.302 4.646 2.323 1.00 0.00 C ATOM 0 HA PRO A 49 12.538 6.073 -0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.963 3.357 -0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.287 4.498 -0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.521 2.724 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 49 15.115 3.064 1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.186 4.307 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.286 5.110 2.249 1.00 0.00 H new ATOM 824 N TYR A 50 10.531 4.440 -0.306 1.00 0.00 N ATOM 825 CA TYR A 50 9.159 3.947 -0.287 1.00 0.00 C ATOM 826 C TYR A 50 8.890 3.039 -1.483 1.00 0.00 C ATOM 827 O TYR A 50 9.469 3.218 -2.555 1.00 0.00 O ATOM 828 CB TYR A 50 8.174 5.117 -0.289 1.00 0.00 C ATOM 829 CG TYR A 50 8.170 5.903 -1.581 1.00 0.00 C ATOM 830 CD1 TYR A 50 7.324 5.555 -2.626 1.00 0.00 C ATOM 831 CD2 TYR A 50 9.013 6.995 -1.756 1.00 0.00 C ATOM 832 CE1 TYR A 50 7.318 6.270 -3.808 1.00 0.00 C ATOM 833 CE2 TYR A 50 9.013 7.716 -2.934 1.00 0.00 C ATOM 834 CZ TYR A 50 8.164 7.349 -3.958 1.00 0.00 C ATOM 835 OH TYR A 50 8.159 8.064 -5.133 1.00 0.00 O ATOM 0 H TYR A 50 10.923 4.560 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 50 9.021 3.367 0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.170 4.736 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.419 5.788 0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.660 4.711 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.679 7.284 -0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.654 5.985 -4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.674 8.562 -3.053 1.00 0.00 H new ATOM 0 HH TYR A 50 8.812 8.792 -5.075 1.00 0.00 H new ATOM 845 N CYS A 51 8.009 2.064 -1.290 1.00 0.00 N ATOM 846 CA CYS A 51 7.662 1.126 -2.352 1.00 0.00 C ATOM 847 C CYS A 51 6.156 0.886 -2.394 1.00 0.00 C ATOM 848 O CYS A 51 5.474 0.971 -1.373 1.00 0.00 O ATOM 849 CB CYS A 51 8.396 -0.200 -2.150 1.00 0.00 C ATOM 850 SG CYS A 51 7.807 -1.163 -0.737 1.00 0.00 S ATOM 0 H CYS A 51 7.522 1.902 -0.409 1.00 0.00 H new ATOM 0 HA CYS A 51 7.969 1.562 -3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.293 -0.801 -3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.459 0.002 -2.020 1.00 0.00 H new ATOM 0 HG CYS A 51 6.719 -1.794 -1.065 1.00 0.00 H new ATOM 856 N PHE A 52 5.643 0.587 -3.583 1.00 0.00 N ATOM 857 CA PHE A 52 4.217 0.337 -3.760 1.00 0.00 C ATOM 858 C PHE A 52 3.933 -1.159 -3.842 1.00 0.00 C ATOM 859 O PHE A 52 4.722 -1.923 -4.399 1.00 0.00 O ATOM 860 CB PHE A 52 3.709 1.034 -5.024 1.00 0.00 C ATOM 861 CG PHE A 52 3.871 2.527 -4.991 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.093 3.304 -4.147 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.801 3.154 -5.804 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.240 4.677 -4.117 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.953 4.527 -5.777 1.00 0.00 C ATOM 866 CZ PHE A 52 4.172 5.290 -4.932 1.00 0.00 C ATOM 0 H PHE A 52 6.194 0.512 -4.438 1.00 0.00 H new ATOM 0 HA PHE A 52 3.692 0.741 -2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.243 0.638 -5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.655 0.794 -5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.364 2.831 -3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.415 2.562 -6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.626 5.271 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.682 5.003 -6.416 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.289 6.363 -4.908 1.00 0.00 H new ATOM 876 N VAL A 53 2.801 -1.573 -3.281 1.00 0.00 N ATOM 877 CA VAL A 53 2.412 -2.978 -3.292 1.00 0.00 C ATOM 878 C VAL A 53 0.998 -3.152 -3.836 1.00 0.00 C ATOM 879 O VAL A 53 0.033 -2.662 -3.252 1.00 0.00 O ATOM 880 CB VAL A 53 2.485 -3.590 -1.880 1.00 0.00 C ATOM 881 CG1 VAL A 53 1.900 -4.995 -1.875 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.922 -3.600 -1.379 1.00 0.00 C ATOM 0 H VAL A 53 2.138 -0.955 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 53 3.115 -3.497 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 53 1.892 -2.974 -1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.960 -5.411 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.857 -4.956 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.463 -5.626 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.956 -4.035 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.539 -4.193 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.302 -2.579 -1.343 1.00 0.00 H new ATOM 892 N GLU A 54 0.885 -3.857 -4.957 1.00 0.00 N ATOM 893 CA GLU A 54 -0.411 -4.096 -5.581 1.00 0.00 C ATOM 894 C GLU A 54 -0.828 -5.556 -5.427 1.00 0.00 C ATOM 895 O GLU A 54 -0.023 -6.467 -5.622 1.00 0.00 O ATOM 896 CB GLU A 54 -0.366 -3.722 -7.064 1.00 0.00 C ATOM 897 CG GLU A 54 -1.722 -3.776 -7.748 1.00 0.00 C ATOM 898 CD GLU A 54 -1.611 -3.956 -9.249 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.847 -3.199 -9.883 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.289 -4.856 -9.790 1.00 0.00 O ATOM 0 H GLU A 54 1.675 -4.272 -5.451 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.148 -3.470 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.042 -2.716 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.318 -4.396 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.304 -4.597 -7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.269 -2.857 -7.535 1.00 0.00 H new ATOM 907 N PHE A 55 -2.091 -5.770 -5.074 1.00 0.00 N ATOM 908 CA PHE A 55 -2.616 -7.119 -4.892 1.00 0.00 C ATOM 909 C PHE A 55 -3.568 -7.490 -6.025 1.00 0.00 C ATOM 910 O PHE A 55 -4.027 -6.626 -6.772 1.00 0.00 O ATOM 911 CB PHE A 55 -3.336 -7.231 -3.548 1.00 0.00 C ATOM 912 CG PHE A 55 -2.407 -7.426 -2.383 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.781 -6.341 -1.790 1.00 0.00 C ATOM 914 CD2 PHE A 55 -2.159 -8.694 -1.882 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.925 -6.518 -0.720 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.305 -8.877 -0.811 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.688 -7.788 -0.229 1.00 0.00 C ATOM 0 H PHE A 55 -2.770 -5.027 -4.908 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.776 -7.814 -4.905 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.926 -6.329 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.035 -8.066 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.964 -5.346 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.639 -9.549 -2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.442 -5.665 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.121 -9.871 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.021 -7.928 0.609 1.00 0.00 H new ATOM 927 N TYR A 56 -3.859 -8.781 -6.146 1.00 0.00 N ATOM 928 CA TYR A 56 -4.754 -9.268 -7.189 1.00 0.00 C ATOM 929 C TYR A 56 -6.206 -8.933 -6.861 1.00 0.00 C ATOM 930 O TYR A 56 -6.994 -8.607 -7.748 1.00 0.00 O ATOM 931 CB TYR A 56 -4.594 -10.779 -7.362 1.00 0.00 C ATOM 932 CG TYR A 56 -3.367 -11.170 -8.154 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.111 -11.193 -7.559 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.462 -11.519 -9.495 1.00 0.00 C ATOM 935 CE1 TYR A 56 -0.986 -11.550 -8.278 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.343 -11.878 -10.221 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.108 -11.892 -9.608 1.00 0.00 C ATOM 938 OH TYR A 56 0.010 -12.249 -10.328 1.00 0.00 O ATOM 0 H TYR A 56 -3.488 -9.509 -5.535 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.488 -8.772 -8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.545 -11.246 -6.378 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.479 -11.175 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.013 -10.927 -6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.428 -11.510 -9.979 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.017 -11.561 -7.801 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.435 -12.146 -11.263 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.248 -12.462 -11.249 1.00 0.00 H new ATOM 948 N GLU A 57 -6.551 -9.017 -5.579 1.00 0.00 N ATOM 949 CA GLU A 57 -7.907 -8.723 -5.134 1.00 0.00 C ATOM 950 C GLU A 57 -7.912 -7.584 -4.117 1.00 0.00 C ATOM 951 O GLU A 57 -6.884 -7.269 -3.518 1.00 0.00 O ATOM 952 CB GLU A 57 -8.549 -9.970 -4.521 1.00 0.00 C ATOM 953 CG GLU A 57 -8.493 -11.189 -5.426 1.00 0.00 C ATOM 954 CD GLU A 57 -9.647 -11.242 -6.408 1.00 0.00 C ATOM 955 OE1 GLU A 57 -9.730 -10.346 -7.274 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.469 -12.177 -6.309 1.00 0.00 O ATOM 0 H GLU A 57 -5.910 -9.286 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.487 -8.414 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.048 -10.202 -3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.590 -9.753 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.552 -11.185 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.500 -12.091 -4.814 1.00 0.00 H new ATOM 963 N HIS A 58 -9.077 -6.972 -3.928 1.00 0.00 N ATOM 964 CA HIS A 58 -9.216 -5.868 -2.985 1.00 0.00 C ATOM 965 C HIS A 58 -9.175 -6.376 -1.547 1.00 0.00 C ATOM 966 O HIS A 58 -8.678 -5.692 -0.651 1.00 0.00 O ATOM 967 CB HIS A 58 -10.524 -5.117 -3.236 1.00 0.00 C ATOM 968 CG HIS A 58 -10.894 -4.175 -2.133 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.218 -2.998 -1.889 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.879 -4.240 -1.206 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.769 -2.381 -0.860 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.780 -3.114 -0.427 1.00 0.00 N ATOM 0 H HIS A 58 -9.938 -7.222 -4.415 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.380 -5.185 -3.135 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.439 -4.557 -4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.329 -5.840 -3.371 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.417 -2.657 -2.421 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.607 -5.031 -1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.448 -1.438 -0.443 1.00 0.00 H new ATOM 980 N ARG A 59 -9.702 -7.577 -1.332 1.00 0.00 N ATOM 981 CA ARG A 59 -9.728 -8.173 -0.002 1.00 0.00 C ATOM 982 C ARG A 59 -8.312 -8.382 0.527 1.00 0.00 C ATOM 983 O ARG A 59 -8.038 -8.151 1.705 1.00 0.00 O ATOM 984 CB ARG A 59 -10.473 -9.509 -0.033 1.00 0.00 C ATOM 985 CG ARG A 59 -9.831 -10.544 -0.943 1.00 0.00 C ATOM 986 CD ARG A 59 -10.648 -11.826 -0.992 1.00 0.00 C ATOM 987 NE ARG A 59 -9.907 -12.924 -1.607 1.00 0.00 N ATOM 988 CZ ARG A 59 -10.487 -13.986 -2.155 1.00 0.00 C ATOM 989 NH1 ARG A 59 -11.808 -14.093 -2.163 1.00 0.00 N ATOM 990 NH2 ARG A 59 -9.745 -14.944 -2.695 1.00 0.00 N ATOM 0 H ARG A 59 -10.117 -8.156 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.251 -7.488 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.525 -9.910 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.498 -9.336 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.733 -10.135 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.824 -10.766 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.941 -12.108 0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.566 -11.650 -1.552 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.888 -12.873 -1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.382 -13.359 -1.748 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.251 -14.909 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.728 -14.866 -2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.191 -15.759 -3.115 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.416 -8.820 -0.350 1.00 0.00 N ATOM 1005 CA ASP A 60 -6.028 -9.059 0.028 1.00 0.00 C ATOM 1006 C ASP A 60 -5.318 -7.747 0.347 1.00 0.00 C ATOM 1007 O ASP A 60 -4.617 -7.638 1.351 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.290 -9.793 -1.093 1.00 0.00 C ATOM 1009 CG ASP A 60 -6.017 -11.046 -1.540 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.743 -11.638 -0.714 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.859 -11.437 -2.716 1.00 0.00 O ATOM 0 H ASP A 60 -7.626 -9.017 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.023 -9.681 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.169 -9.123 -1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.289 -10.059 -0.752 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.506 -6.754 -0.516 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.884 -5.450 -0.326 1.00 0.00 C ATOM 1018 C ALA A 61 -5.269 -4.849 1.022 1.00 0.00 C ATOM 1019 O ALA A 61 -4.428 -4.289 1.726 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.275 -4.509 -1.456 1.00 0.00 C ATOM 0 H ALA A 61 -6.084 -6.828 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.803 -5.586 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.803 -3.539 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.944 -4.926 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.358 -4.388 -1.470 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.544 -4.970 1.376 1.00 0.00 N ATOM 1027 CA ALA A 62 -7.040 -4.441 2.640 1.00 0.00 C ATOM 1028 C ALA A 62 -6.462 -5.212 3.823 1.00 0.00 C ATOM 1029 O ALA A 62 -6.094 -4.625 4.840 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.560 -4.484 2.671 1.00 0.00 C ATOM 0 H ALA A 62 -7.253 -5.430 0.805 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.716 -3.404 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.916 -4.086 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.958 -3.883 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.897 -5.515 2.560 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.387 -6.532 3.682 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.853 -7.383 4.738 1.00 0.00 C ATOM 1038 C ALA A 63 -4.373 -7.102 4.974 1.00 0.00 C ATOM 1039 O ALA A 63 -3.938 -6.936 6.113 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.065 -8.850 4.391 1.00 0.00 C ATOM 0 H ALA A 63 -6.689 -7.034 2.847 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.390 -7.157 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.662 -9.474 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.131 -9.047 4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.554 -9.080 3.456 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.605 -7.052 3.891 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.174 -6.789 3.981 1.00 0.00 C ATOM 1048 C ALA A 64 -1.906 -5.355 4.426 1.00 0.00 C ATOM 1049 O ALA A 64 -0.934 -5.085 5.132 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.502 -7.063 2.644 1.00 0.00 C ATOM 0 H ALA A 64 -3.950 -7.190 2.941 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.753 -7.459 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.434 -6.862 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.655 -8.106 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.935 -6.417 1.880 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.772 -4.439 4.007 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.627 -3.031 4.361 1.00 0.00 C ATOM 1058 C LEU A 65 -2.683 -2.842 5.873 1.00 0.00 C ATOM 1059 O LEU A 65 -1.810 -2.205 6.462 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.724 -2.202 3.691 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.966 -0.810 4.277 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.926 0.174 3.764 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.370 -0.327 3.944 1.00 0.00 C ATOM 0 H LEU A 65 -3.582 -4.646 3.422 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.654 -2.690 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.475 -2.092 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.657 -2.763 3.741 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.873 -0.873 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.115 1.159 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.931 -0.164 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.986 0.233 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.524 0.665 4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.492 -0.281 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.101 -1.018 4.362 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.714 -3.402 6.498 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.882 -3.299 7.941 1.00 0.00 C ATOM 1077 C ALA A 66 -2.799 -4.081 8.677 1.00 0.00 C ATOM 1078 O ALA A 66 -2.252 -3.615 9.676 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.261 -3.792 8.350 1.00 0.00 C ATOM 0 H ALA A 66 -4.446 -3.932 6.026 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.788 -2.249 8.218 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.371 -3.709 9.431 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.024 -3.187 7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.378 -4.834 8.053 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.495 -5.274 8.177 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.477 -6.122 8.786 1.00 0.00 C ATOM 1087 C ALA A 67 -0.094 -5.489 8.667 1.00 0.00 C ATOM 1088 O ALA A 67 0.732 -5.607 9.572 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.484 -7.501 8.145 1.00 0.00 C ATOM 0 H ALA A 67 -2.939 -5.676 7.351 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.712 -6.226 9.845 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.719 -8.122 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.461 -7.963 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.277 -7.408 7.079 1.00 0.00 H new ATOM 1095 N MET A 68 0.152 -4.821 7.545 1.00 0.00 N ATOM 1096 CA MET A 68 1.435 -4.169 7.309 1.00 0.00 C ATOM 1097 C MET A 68 1.389 -2.706 7.738 1.00 0.00 C ATOM 1098 O MET A 68 2.424 -2.049 7.846 1.00 0.00 O ATOM 1099 CB MET A 68 1.817 -4.268 5.831 1.00 0.00 C ATOM 1100 CG MET A 68 1.943 -5.697 5.330 1.00 0.00 C ATOM 1101 SD MET A 68 3.108 -6.673 6.300 1.00 0.00 S ATOM 1102 CE MET A 68 4.669 -6.064 5.667 1.00 0.00 C ATOM 0 H MET A 68 -0.520 -4.717 6.785 1.00 0.00 H new ATOM 0 HA MET A 68 2.190 -4.680 7.907 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.067 -3.748 5.235 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.764 -3.752 5.674 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.964 -6.175 5.357 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.264 -5.686 4.288 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.460 -6.270 6.388 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.899 -6.562 4.725 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.600 -4.989 5.502 1.00 0.00 H new ATOM 1112 N ASN A 69 0.183 -2.203 7.983 1.00 0.00 N ATOM 1113 CA ASN A 69 0.003 -0.817 8.399 1.00 0.00 C ATOM 1114 C ASN A 69 0.775 -0.531 9.684 1.00 0.00 C ATOM 1115 O ASN A 69 0.329 -0.874 10.777 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.481 -0.513 8.604 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.707 0.700 9.487 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.751 0.589 10.712 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.851 1.864 8.867 1.00 0.00 N ATOM 0 H ASN A 69 -0.684 -2.735 7.901 1.00 0.00 H new ATOM 0 HA ASN A 69 0.393 -0.173 7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.952 -0.346 7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.968 -1.380 9.051 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.005 2.715 9.408 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.807 1.908 7.849 1.00 0.00 H new ATOM 1126 N GLY A 70 1.936 0.102 9.542 1.00 0.00 N ATOM 1127 CA GLY A 70 2.752 0.424 10.699 1.00 0.00 C ATOM 1128 C GLY A 70 3.403 -0.801 11.308 1.00 0.00 C ATOM 1129 O GLY A 70 3.549 -0.893 12.527 1.00 0.00 O ATOM 0 H GLY A 70 2.326 0.397 8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.525 1.136 10.408 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.134 0.915 11.451 1.00 0.00 H new ATOM 1133 N ARG A 71 3.795 -1.746 10.459 1.00 0.00 N ATOM 1134 CA ARG A 71 4.432 -2.973 10.922 1.00 0.00 C ATOM 1135 C ARG A 71 5.919 -2.750 11.177 1.00 0.00 C ATOM 1136 O ARG A 71 6.547 -1.899 10.548 1.00 0.00 O ATOM 1137 CB ARG A 71 4.240 -4.091 9.895 1.00 0.00 C ATOM 1138 CG ARG A 71 4.204 -5.481 10.507 1.00 0.00 C ATOM 1139 CD ARG A 71 4.686 -6.536 9.523 1.00 0.00 C ATOM 1140 NE ARG A 71 5.122 -7.756 10.198 1.00 0.00 N ATOM 1141 CZ ARG A 71 4.289 -8.701 10.617 1.00 0.00 C ATOM 1142 NH1 ARG A 71 2.983 -8.569 10.432 1.00 0.00 N ATOM 1143 NH2 ARG A 71 4.762 -9.783 11.222 1.00 0.00 N ATOM 0 H ARG A 71 3.683 -1.685 9.447 1.00 0.00 H new ATOM 0 HA ARG A 71 3.961 -3.267 11.860 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.311 -3.918 9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.049 -4.045 9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.828 -5.503 11.400 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.187 -5.714 10.823 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.883 -6.775 8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.510 -6.133 8.934 1.00 0.00 H new ATOM 0 HE ARG A 71 6.121 -7.889 10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.615 -7.739 9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.346 -9.297 10.755 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.766 -9.889 11.365 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.121 -10.509 11.544 1.00 0.00 H new ATOM 1157 N LYS A 72 6.477 -3.521 12.104 1.00 0.00 N ATOM 1158 CA LYS A 72 7.891 -3.411 12.443 1.00 0.00 C ATOM 1159 C LYS A 72 8.740 -4.287 11.529 1.00 0.00 C ATOM 1160 O LYS A 72 8.630 -5.514 11.552 1.00 0.00 O ATOM 1161 CB LYS A 72 8.119 -3.806 13.903 1.00 0.00 C ATOM 1162 CG LYS A 72 8.014 -2.641 14.873 1.00 0.00 C ATOM 1163 CD LYS A 72 9.361 -1.973 15.091 1.00 0.00 C ATOM 1164 CE LYS A 72 9.681 -0.987 13.979 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.588 0.099 14.443 1.00 0.00 N ATOM 0 H LYS A 72 5.971 -4.230 12.635 1.00 0.00 H new ATOM 0 HA LYS A 72 8.192 -2.373 12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.391 -4.567 14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.106 -4.259 13.998 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.302 -1.910 14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.624 -2.995 15.827 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.360 -1.454 16.050 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.141 -2.733 15.141 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.145 -1.517 13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.755 -0.551 13.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.111 1.017 14.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.831 -0.055 15.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.456 0.094 13.871 1.00 0.00 H new ATOM 1179 N ILE A 73 9.587 -3.653 10.725 1.00 0.00 N ATOM 1180 CA ILE A 73 10.456 -4.376 9.806 1.00 0.00 C ATOM 1181 C ILE A 73 11.886 -3.854 9.876 1.00 0.00 C ATOM 1182 O ILE A 73 12.139 -2.669 9.651 1.00 0.00 O ATOM 1183 CB ILE A 73 9.953 -4.271 8.354 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.536 -4.837 8.240 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.899 -4.999 7.411 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.846 -4.483 6.941 1.00 0.00 C ATOM 0 H ILE A 73 9.690 -2.639 10.692 1.00 0.00 H new ATOM 0 HA ILE A 73 10.438 -5.422 10.113 1.00 0.00 H new ATOM 0 HB ILE A 73 9.927 -3.219 8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.578 -5.922 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.938 -4.467 9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.530 -4.915 6.389 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.892 -4.553 7.476 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.955 -6.051 7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.846 -4.917 6.930 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.772 -3.399 6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.422 -4.877 6.104 1.00 0.00 H new ATOM 1198 N LEU A 74 12.821 -4.745 10.186 1.00 0.00 N ATOM 1199 CA LEU A 74 14.230 -4.374 10.283 1.00 0.00 C ATOM 1200 C LEU A 74 14.437 -3.295 11.341 1.00 0.00 C ATOM 1201 O LEU A 74 15.319 -2.447 11.213 1.00 0.00 O ATOM 1202 CB LEU A 74 14.743 -3.883 8.929 1.00 0.00 C ATOM 1203 CG LEU A 74 14.849 -4.937 7.828 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.152 -4.284 6.488 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.916 -5.966 8.176 1.00 0.00 C ATOM 0 H LEU A 74 12.630 -5.729 10.375 1.00 0.00 H new ATOM 0 HA LEU A 74 14.794 -5.259 10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.084 -3.088 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.728 -3.440 9.076 1.00 0.00 H new ATOM 0 HG LEU A 74 13.890 -5.449 7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.224 -5.051 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.353 -3.588 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.097 -3.744 6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.978 -6.709 7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.880 -5.469 8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.655 -6.458 9.113 1.00 0.00 H new ATOM 1217 N GLY A 75 13.618 -3.335 12.388 1.00 0.00 N ATOM 1218 CA GLY A 75 13.730 -2.356 13.454 1.00 0.00 C ATOM 1219 C GLY A 75 13.128 -1.017 13.077 1.00 0.00 C ATOM 1220 O GLY A 75 13.166 -0.068 13.860 1.00 0.00 O ATOM 0 H GLY A 75 12.880 -4.027 12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.232 -2.736 14.346 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.781 -2.220 13.709 1.00 0.00 H new ATOM 1224 N LYS A 76 12.572 -0.939 11.873 1.00 0.00 N ATOM 1225 CA LYS A 76 11.959 0.295 11.392 1.00 0.00 C ATOM 1226 C LYS A 76 10.484 0.079 11.069 1.00 0.00 C ATOM 1227 O LYS A 76 10.136 -0.785 10.265 1.00 0.00 O ATOM 1228 CB LYS A 76 12.695 0.803 10.150 1.00 0.00 C ATOM 1229 CG LYS A 76 12.123 2.094 9.590 1.00 0.00 C ATOM 1230 CD LYS A 76 13.188 2.913 8.879 1.00 0.00 C ATOM 1231 CE LYS A 76 14.113 3.605 9.868 1.00 0.00 C ATOM 1232 NZ LYS A 76 13.404 4.660 10.645 1.00 0.00 N ATOM 0 H LYS A 76 12.533 -1.715 11.212 1.00 0.00 H new ATOM 0 HA LYS A 76 12.034 1.042 12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.745 0.958 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.660 0.035 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.315 1.864 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.690 2.682 10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.772 2.264 8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.711 3.659 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.529 2.867 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.951 4.050 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.100 5.303 11.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.780 5.198 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.836 4.216 11.395 1.00 0.00 H new ATOM 1246 N GLU A 77 9.623 0.871 11.700 1.00 0.00 N ATOM 1247 CA GLU A 77 8.186 0.766 11.478 1.00 0.00 C ATOM 1248 C GLU A 77 7.806 1.316 10.106 1.00 0.00 C ATOM 1249 O GLU A 77 8.038 2.488 9.808 1.00 0.00 O ATOM 1250 CB GLU A 77 7.423 1.517 12.571 1.00 0.00 C ATOM 1251 CG GLU A 77 6.046 0.941 12.858 1.00 0.00 C ATOM 1252 CD GLU A 77 5.094 1.966 13.440 1.00 0.00 C ATOM 1253 OE1 GLU A 77 4.893 3.020 12.799 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.549 1.717 14.536 1.00 0.00 O ATOM 0 H GLU A 77 9.895 1.592 12.368 1.00 0.00 H new ATOM 0 HA GLU A 77 7.914 -0.289 11.515 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.012 1.503 13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.317 2.561 12.276 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.624 0.542 11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.143 0.106 13.552 1.00 0.00 H new ATOM 1261 N VAL A 78 7.219 0.461 9.274 1.00 0.00 N ATOM 1262 CA VAL A 78 6.805 0.860 7.934 1.00 0.00 C ATOM 1263 C VAL A 78 5.338 1.270 7.912 1.00 0.00 C ATOM 1264 O VAL A 78 4.484 0.592 8.482 1.00 0.00 O ATOM 1265 CB VAL A 78 7.026 -0.275 6.917 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.340 -0.992 7.192 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.861 -1.252 6.949 1.00 0.00 C ATOM 0 H VAL A 78 7.020 -0.512 9.505 1.00 0.00 H new ATOM 0 HA VAL A 78 7.422 1.714 7.653 1.00 0.00 H new ATOM 0 HB VAL A 78 7.079 0.161 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.478 -1.791 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.164 -0.283 7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.320 -1.417 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.033 -2.048 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.774 -1.682 7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.939 -0.727 6.699 1.00 0.00 H new ATOM 1277 N LYS A 79 5.051 2.385 7.247 1.00 0.00 N ATOM 1278 CA LYS A 79 3.685 2.886 7.147 1.00 0.00 C ATOM 1279 C LYS A 79 3.052 2.479 5.820 1.00 0.00 C ATOM 1280 O LYS A 79 3.553 2.827 4.750 1.00 0.00 O ATOM 1281 CB LYS A 79 3.669 4.410 7.287 1.00 0.00 C ATOM 1282 CG LYS A 79 4.535 5.124 6.264 1.00 0.00 C ATOM 1283 CD LYS A 79 4.468 6.632 6.434 1.00 0.00 C ATOM 1284 CE LYS A 79 3.203 7.208 5.816 1.00 0.00 C ATOM 1285 NZ LYS A 79 3.034 8.652 6.139 1.00 0.00 N ATOM 0 H LYS A 79 5.746 2.958 6.770 1.00 0.00 H new ATOM 0 HA LYS A 79 3.102 2.446 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.643 4.764 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.008 4.678 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.568 4.791 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.210 4.855 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.502 6.881 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.342 7.090 5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.237 7.080 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.337 6.652 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.161 9.006 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.976 8.773 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.847 9.187 5.773 1.00 0.00 H new ATOM 1299 N VAL A 80 1.949 1.742 5.897 1.00 0.00 N ATOM 1300 CA VAL A 80 1.246 1.292 4.702 1.00 0.00 C ATOM 1301 C VAL A 80 -0.150 1.899 4.623 1.00 0.00 C ATOM 1302 O VAL A 80 -0.910 1.861 5.590 1.00 0.00 O ATOM 1303 CB VAL A 80 1.128 -0.244 4.666 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.662 -0.713 3.296 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.456 -0.888 5.036 1.00 0.00 C ATOM 0 H VAL A 80 1.523 1.444 6.774 1.00 0.00 H new ATOM 0 HA VAL A 80 1.833 1.625 3.846 1.00 0.00 H new ATOM 0 HB VAL A 80 0.383 -0.551 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.585 -1.800 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.313 -0.279 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.380 -0.396 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.355 -1.973 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.222 -0.575 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.743 -0.578 6.041 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.481 2.459 3.464 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.787 3.075 3.258 1.00 0.00 C ATOM 1317 C ASN A 81 -2.271 2.859 1.827 1.00 0.00 C ATOM 1318 O ASN A 81 -1.499 2.466 0.953 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.720 4.572 3.565 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.085 5.161 3.868 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.764 4.736 4.804 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.495 6.144 3.074 1.00 0.00 N ATOM 0 H ASN A 81 0.137 2.499 2.653 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.496 2.602 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.059 4.737 4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.282 5.095 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.405 6.578 3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.900 6.465 2.310 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.552 3.119 1.597 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.140 2.953 0.273 1.00 0.00 C ATOM 1331 C TRP A 82 -3.531 3.938 -0.719 1.00 0.00 C ATOM 1332 O TRP A 82 -3.612 5.152 -0.532 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.656 3.145 0.336 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.368 2.021 1.026 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.920 2.043 2.274 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.603 0.708 0.504 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.484 0.823 2.561 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.304 -0.013 1.491 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.292 0.072 -0.700 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.696 -1.336 1.308 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.681 -1.241 -0.880 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.377 -1.935 0.119 1.00 0.00 C ATOM 0 H TRP A 82 -4.204 3.446 2.310 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.924 1.941 -0.068 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.876 4.078 0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.045 3.245 -0.677 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.914 2.894 2.939 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.960 0.580 3.430 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.757 0.598 -1.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.233 -1.871 2.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.445 -1.742 -1.807 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.667 -2.961 -0.052 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.924 3.409 -1.776 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.305 4.243 -2.798 1.00 0.00 C ATOM 1355 C ALA A 83 -3.349 4.800 -3.760 1.00 0.00 C ATOM 1356 O ALA A 83 -4.065 4.047 -4.421 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.254 3.449 -3.561 1.00 0.00 C ATOM 0 H ALA A 83 -2.848 2.406 -1.947 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.821 5.084 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.799 4.084 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.485 3.104 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.724 2.589 -4.039 1.00 0.00 H new