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= -0.0546 USER MOD Single : A 15 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.7) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 27 GLN : amide:sc= -0.303 K(o=-0.3,f=-2) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 35 CYS SG : rot -36:sc= 0.462 USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= 0.858 (180deg=0.0769) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 42:sc= 0.211 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -127:sc= -4.16! (180deg=-4.38!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.003 USER MOD Single : A 51 CYS SG : rot 80:sc= -4.33! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.76! C(o=-1.8!,f=-3.4!) USER MOD Single : A 68 MET CE :methyl -126:sc= -5.03! (180deg=-7.4!) USER MOD Single : A 69 ASN : amide:sc= -0.425 K(o=-0.42,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -12.2! (180deg=-13.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.145) USER MOD Single : A 81 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.825 -0.531 -5.081 1.00 0.00 N ATOM 164 CA PRO A 8 -8.382 -0.278 -5.130 1.00 0.00 C ATOM 165 C PRO A 8 -7.568 -1.473 -4.647 1.00 0.00 C ATOM 166 O PRO A 8 -7.903 -2.100 -3.641 1.00 0.00 O ATOM 167 CB PRO A 8 -8.199 0.911 -4.182 1.00 0.00 C ATOM 168 CG PRO A 8 -9.350 0.827 -3.241 1.00 0.00 C ATOM 169 CD PRO A 8 -10.494 0.261 -4.036 1.00 0.00 C ATOM 0 HA PRO A 8 -8.035 -0.089 -6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.249 0.851 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.201 1.855 -4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.113 0.189 -2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.601 1.810 -2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.145 -0.357 -3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.114 1.049 -4.464 1.00 0.00 H new ATOM 177 N ARG A 9 -6.497 -1.785 -5.369 1.00 0.00 N ATOM 178 CA ARG A 9 -5.635 -2.906 -5.015 1.00 0.00 C ATOM 179 C ARG A 9 -4.175 -2.469 -4.946 1.00 0.00 C ATOM 180 O ARG A 9 -3.265 -3.263 -5.189 1.00 0.00 O ATOM 181 CB ARG A 9 -5.792 -4.039 -6.031 1.00 0.00 C ATOM 182 CG ARG A 9 -7.236 -4.463 -6.251 1.00 0.00 C ATOM 183 CD ARG A 9 -7.431 -5.080 -7.628 1.00 0.00 C ATOM 184 NE ARG A 9 -7.755 -4.075 -8.637 1.00 0.00 N ATOM 185 CZ ARG A 9 -7.825 -4.336 -9.937 1.00 0.00 C ATOM 186 NH1 ARG A 9 -7.595 -5.562 -10.384 1.00 0.00 N ATOM 187 NH2 ARG A 9 -8.125 -3.368 -10.794 1.00 0.00 N ATOM 0 H ARG A 9 -6.205 -1.276 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.935 -3.266 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.365 -3.724 -6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.216 -4.901 -5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.526 -5.182 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.891 -3.599 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.523 -5.608 -7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.230 -5.820 -7.584 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.937 -3.121 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.363 -6.309 -9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.650 -5.759 -11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.302 -2.423 -10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.179 -3.569 -11.792 1.00 0.00 H new ATOM 201 N THR A 10 -3.957 -1.200 -4.614 1.00 0.00 N ATOM 202 CA THR A 10 -2.609 -0.656 -4.515 1.00 0.00 C ATOM 203 C THR A 10 -2.369 -0.025 -3.148 1.00 0.00 C ATOM 204 O THR A 10 -3.193 0.747 -2.657 1.00 0.00 O ATOM 205 CB THR A 10 -2.346 0.397 -5.607 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.786 -0.094 -6.878 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.868 0.747 -5.677 1.00 0.00 C ATOM 0 H THR A 10 -4.698 -0.530 -4.409 1.00 0.00 H new ATOM 0 HA THR A 10 -1.921 -1.490 -4.653 1.00 0.00 H new ATOM 0 HB THR A 10 -2.905 1.298 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.617 0.583 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.707 1.493 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.543 1.149 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.292 -0.149 -5.908 1.00 0.00 H new ATOM 215 N LEU A 11 -1.237 -0.359 -2.538 1.00 0.00 N ATOM 216 CA LEU A 11 -0.888 0.177 -1.228 1.00 0.00 C ATOM 217 C LEU A 11 0.505 0.799 -1.246 1.00 0.00 C ATOM 218 O LEU A 11 1.439 0.239 -1.821 1.00 0.00 O ATOM 219 CB LEU A 11 -0.951 -0.928 -0.170 1.00 0.00 C ATOM 220 CG LEU A 11 -1.983 -2.030 -0.413 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.652 -3.262 0.415 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.384 -1.530 -0.094 1.00 0.00 C ATOM 0 H LEU A 11 -0.546 -0.998 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.610 0.955 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.034 -1.390 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.161 -0.468 0.796 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.950 -2.306 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.397 -4.036 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.666 -3.633 0.137 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.656 -3.001 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.105 -2.328 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.432 -1.225 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.620 -0.678 -0.732 1.00 0.00 H new ATOM 234 N TYR A 12 0.637 1.958 -0.611 1.00 0.00 N ATOM 235 CA TYR A 12 1.916 2.657 -0.555 1.00 0.00 C ATOM 236 C TYR A 12 2.649 2.347 0.746 1.00 0.00 C ATOM 237 O TYR A 12 2.115 2.549 1.837 1.00 0.00 O ATOM 238 CB TYR A 12 1.703 4.166 -0.686 1.00 0.00 C ATOM 239 CG TYR A 12 2.767 4.990 0.003 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.680 5.281 1.358 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.860 5.478 -0.703 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.650 6.033 1.991 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.836 6.230 -0.078 1.00 0.00 C ATOM 244 CZ TYR A 12 4.727 6.506 1.268 1.00 0.00 C ATOM 245 OH TYR A 12 5.695 7.255 1.895 1.00 0.00 O ATOM 0 H TYR A 12 -0.125 2.433 -0.128 1.00 0.00 H new ATOM 0 HA TYR A 12 2.528 2.310 -1.388 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.678 4.430 -1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.729 4.424 -0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.839 4.913 1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.948 5.266 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.567 6.250 3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.680 6.600 -0.641 1.00 0.00 H new ATOM 0 HH TYR A 12 6.384 7.509 1.246 1.00 0.00 H new ATOM 255 N VAL A 13 3.878 1.854 0.623 1.00 0.00 N ATOM 256 CA VAL A 13 4.687 1.518 1.788 1.00 0.00 C ATOM 257 C VAL A 13 5.804 2.535 1.994 1.00 0.00 C ATOM 258 O VAL A 13 6.661 2.716 1.130 1.00 0.00 O ATOM 259 CB VAL A 13 5.305 0.113 1.654 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.938 -0.319 2.968 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.255 -0.890 1.204 1.00 0.00 C ATOM 0 H VAL A 13 4.335 1.679 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 13 4.022 1.534 2.651 1.00 0.00 H new ATOM 0 HB VAL A 13 6.087 0.150 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.369 -1.314 2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.721 0.387 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.177 -0.340 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.709 -1.877 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.449 -0.927 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.853 -0.587 0.237 1.00 0.00 H new ATOM 271 N GLY A 14 5.788 3.198 3.146 1.00 0.00 N ATOM 272 CA GLY A 14 6.804 4.189 3.446 1.00 0.00 C ATOM 273 C GLY A 14 7.512 3.915 4.758 1.00 0.00 C ATOM 274 O GLY A 14 7.109 3.034 5.517 1.00 0.00 O ATOM 0 H GLY A 14 5.089 3.066 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.536 4.210 2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.344 5.176 3.484 1.00 0.00 H new ATOM 278 N ASN A 15 8.572 4.671 5.027 1.00 0.00 N ATOM 279 CA ASN A 15 9.340 4.503 6.256 1.00 0.00 C ATOM 280 C ASN A 15 10.086 3.173 6.253 1.00 0.00 C ATOM 281 O ASN A 15 10.136 2.474 7.266 1.00 0.00 O ATOM 282 CB ASN A 15 8.415 4.580 7.472 1.00 0.00 C ATOM 283 CG ASN A 15 9.130 5.089 8.709 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.024 6.265 9.062 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.864 4.205 9.374 1.00 0.00 N ATOM 0 H ASN A 15 8.919 5.406 4.410 1.00 0.00 H new ATOM 0 HA ASN A 15 10.072 5.309 6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.575 5.236 7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.002 3.592 7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.369 4.490 10.213 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.923 3.241 9.045 1.00 0.00 H new ATOM 292 N LEU A 16 10.666 2.829 5.108 1.00 0.00 N ATOM 293 CA LEU A 16 11.412 1.582 4.973 1.00 0.00 C ATOM 294 C LEU A 16 12.904 1.812 5.196 1.00 0.00 C ATOM 295 O LEU A 16 13.449 2.839 4.791 1.00 0.00 O ATOM 296 CB LEU A 16 11.179 0.972 3.590 1.00 0.00 C ATOM 297 CG LEU A 16 9.731 0.623 3.246 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.580 0.384 1.751 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.276 -0.598 4.031 1.00 0.00 C ATOM 0 H LEU A 16 10.634 3.395 4.260 1.00 0.00 H new ATOM 0 HA LEU A 16 11.053 0.889 5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.552 1.669 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.779 0.066 3.509 1.00 0.00 H new ATOM 0 HG LEU A 16 9.098 1.466 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.543 0.137 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.865 1.285 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.224 -0.441 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.243 -0.832 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.913 -1.447 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.346 -0.391 5.099 1.00 0.00 H new ATOM 311 N SER A 17 13.556 0.851 5.838 1.00 0.00 N ATOM 312 CA SER A 17 14.985 0.950 6.116 1.00 0.00 C ATOM 313 C SER A 17 15.799 0.783 4.836 1.00 0.00 C ATOM 314 O SER A 17 15.400 0.062 3.923 1.00 0.00 O ATOM 315 CB SER A 17 15.401 -0.108 7.141 1.00 0.00 C ATOM 316 OG SER A 17 16.803 -0.087 7.354 1.00 0.00 O ATOM 0 H SER A 17 13.119 -0.006 6.176 1.00 0.00 H new ATOM 0 HA SER A 17 15.184 1.940 6.526 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.884 0.071 8.084 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.097 -1.095 6.793 1.00 0.00 H new ATOM 0 HG SER A 17 17.044 -0.770 8.014 1.00 0.00 H new ATOM 322 N ARG A 18 16.944 1.457 4.779 1.00 0.00 N ATOM 323 CA ARG A 18 17.814 1.386 3.612 1.00 0.00 C ATOM 324 C ARG A 18 18.085 -0.065 3.223 1.00 0.00 C ATOM 325 O ARG A 18 18.367 -0.364 2.063 1.00 0.00 O ATOM 326 CB ARG A 18 19.136 2.104 3.892 1.00 0.00 C ATOM 327 CG ARG A 18 19.769 2.717 2.653 1.00 0.00 C ATOM 328 CD ARG A 18 20.714 1.742 1.969 1.00 0.00 C ATOM 329 NE ARG A 18 21.300 2.306 0.756 1.00 0.00 N ATOM 330 CZ ARG A 18 22.334 1.766 0.120 1.00 0.00 C ATOM 331 NH1 ARG A 18 22.894 0.656 0.580 1.00 0.00 N ATOM 332 NH2 ARG A 18 22.810 2.339 -0.978 1.00 0.00 N ATOM 0 H ARG A 18 17.290 2.058 5.527 1.00 0.00 H new ATOM 0 HA ARG A 18 17.308 1.879 2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.965 2.889 4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 18 19.837 1.397 4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.988 3.018 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 18 20.314 3.619 2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.510 1.463 2.660 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.174 0.829 1.720 1.00 0.00 H new ATOM 0 HE ARG A 18 20.893 3.161 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.531 0.214 1.425 1.00 0.00 H new ATOM 0 HH12 ARG A 18 23.688 0.244 0.089 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.382 3.194 -1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 18 23.604 1.925 -1.466 1.00 0.00 H new ATOM 346 N ASP A 19 17.996 -0.960 4.200 1.00 0.00 N ATOM 347 CA ASP A 19 18.230 -2.380 3.960 1.00 0.00 C ATOM 348 C ASP A 19 17.045 -3.011 3.236 1.00 0.00 C ATOM 349 O ASP A 19 17.215 -3.901 2.403 1.00 0.00 O ATOM 350 CB ASP A 19 18.483 -3.107 5.281 1.00 0.00 C ATOM 351 CG ASP A 19 19.666 -2.536 6.039 1.00 0.00 C ATOM 352 OD1 ASP A 19 19.631 -1.335 6.376 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.626 -3.292 6.296 1.00 0.00 O ATOM 0 H ASP A 19 17.764 -0.728 5.166 1.00 0.00 H new ATOM 0 HA ASP A 19 19.112 -2.476 3.327 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.591 -3.043 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.658 -4.164 5.083 1.00 0.00 H new ATOM 358 N VAL A 20 15.843 -2.544 3.560 1.00 0.00 N ATOM 359 CA VAL A 20 14.629 -3.063 2.941 1.00 0.00 C ATOM 360 C VAL A 20 14.775 -3.142 1.427 1.00 0.00 C ATOM 361 O VAL A 20 15.243 -2.199 0.786 1.00 0.00 O ATOM 362 CB VAL A 20 13.407 -2.189 3.284 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.173 -2.683 2.544 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.169 -2.174 4.786 1.00 0.00 C ATOM 0 H VAL A 20 15.684 -1.807 4.247 1.00 0.00 H new ATOM 0 HA VAL A 20 14.473 -4.065 3.340 1.00 0.00 H new ATOM 0 HB VAL A 20 13.609 -1.168 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.320 -2.054 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.350 -2.637 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.963 -3.713 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.302 -1.552 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.987 -3.190 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.047 -1.769 5.289 1.00 0.00 H new ATOM 374 N THR A 21 14.372 -4.272 0.855 1.00 0.00 N ATOM 375 CA THR A 21 14.458 -4.476 -0.585 1.00 0.00 C ATOM 376 C THR A 21 13.099 -4.841 -1.171 1.00 0.00 C ATOM 377 O THR A 21 12.205 -5.291 -0.455 1.00 0.00 O ATOM 378 CB THR A 21 15.470 -5.583 -0.937 1.00 0.00 C ATOM 379 OG1 THR A 21 15.389 -6.643 0.022 1.00 0.00 O ATOM 380 CG2 THR A 21 16.887 -5.029 -0.970 1.00 0.00 C ATOM 0 H THR A 21 13.982 -5.062 1.369 1.00 0.00 H new ATOM 0 HA THR A 21 14.796 -3.534 -1.017 1.00 0.00 H new ATOM 0 HB THR A 21 15.224 -5.969 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 21 16.034 -7.344 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.584 -5.828 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.952 -4.242 -1.721 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.140 -4.620 0.008 1.00 0.00 H new ATOM 388 N GLU A 22 12.951 -4.643 -2.478 1.00 0.00 N ATOM 389 CA GLU A 22 11.699 -4.952 -3.158 1.00 0.00 C ATOM 390 C GLU A 22 11.284 -6.398 -2.905 1.00 0.00 C ATOM 391 O GLU A 22 10.119 -6.681 -2.622 1.00 0.00 O ATOM 392 CB GLU A 22 11.837 -4.705 -4.663 1.00 0.00 C ATOM 393 CG GLU A 22 10.619 -5.133 -5.464 1.00 0.00 C ATOM 394 CD GLU A 22 10.700 -6.576 -5.923 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.461 -7.477 -5.093 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.001 -6.804 -7.114 1.00 0.00 O ATOM 0 H GLU A 22 13.681 -4.271 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 22 10.926 -4.296 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.019 -3.644 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.711 -5.242 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.724 -4.999 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.515 -4.484 -6.334 1.00 0.00 H new ATOM 403 N VAL A 23 12.245 -7.311 -3.010 1.00 0.00 N ATOM 404 CA VAL A 23 11.981 -8.728 -2.792 1.00 0.00 C ATOM 405 C VAL A 23 11.556 -8.992 -1.353 1.00 0.00 C ATOM 406 O VAL A 23 10.708 -9.847 -1.090 1.00 0.00 O ATOM 407 CB VAL A 23 13.218 -9.586 -3.117 1.00 0.00 C ATOM 408 CG1 VAL A 23 14.370 -9.235 -2.188 1.00 0.00 C ATOM 409 CG2 VAL A 23 12.880 -11.066 -3.023 1.00 0.00 C ATOM 0 H VAL A 23 13.214 -7.094 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 23 11.169 -9.006 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 23 13.528 -9.372 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.235 -9.851 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.628 -8.183 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.074 -9.419 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.766 -11.657 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.544 -11.299 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.088 -11.304 -3.733 1.00 0.00 H new ATOM 419 N LEU A 24 12.150 -8.254 -0.421 1.00 0.00 N ATOM 420 CA LEU A 24 11.832 -8.408 0.995 1.00 0.00 C ATOM 421 C LEU A 24 10.369 -8.075 1.264 1.00 0.00 C ATOM 422 O LEU A 24 9.650 -8.856 1.889 1.00 0.00 O ATOM 423 CB LEU A 24 12.735 -7.508 1.841 1.00 0.00 C ATOM 424 CG LEU A 24 12.754 -7.797 3.342 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.799 -6.939 4.037 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.378 -7.560 3.947 1.00 0.00 C ATOM 0 H LEU A 24 12.854 -7.543 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 24 12.005 -9.449 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.754 -7.591 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.423 -6.474 1.694 1.00 0.00 H new ATOM 0 HG LEU A 24 13.018 -8.844 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.798 -7.158 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.783 -7.157 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.566 -5.885 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.409 -7.770 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.085 -6.522 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.652 -8.218 3.469 1.00 0.00 H new ATOM 438 N ILE A 25 9.933 -6.915 0.786 1.00 0.00 N ATOM 439 CA ILE A 25 8.554 -6.481 0.973 1.00 0.00 C ATOM 440 C ILE A 25 7.576 -7.485 0.370 1.00 0.00 C ATOM 441 O ILE A 25 6.600 -7.879 1.012 1.00 0.00 O ATOM 442 CB ILE A 25 8.308 -5.099 0.339 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.079 -4.019 1.101 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.820 -4.781 0.323 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.480 -3.685 2.449 1.00 0.00 C ATOM 0 H ILE A 25 10.515 -6.258 0.266 1.00 0.00 H new ATOM 0 HA ILE A 25 8.387 -6.414 2.048 1.00 0.00 H new ATOM 0 HB ILE A 25 8.668 -5.119 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.108 -4.350 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.115 -3.114 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.662 -3.801 -0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.293 -5.537 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.438 -4.776 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.078 -2.912 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.461 -3.323 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.469 -4.578 3.074 1.00 0.00 H new ATOM 457 N LEU A 26 7.844 -7.897 -0.864 1.00 0.00 N ATOM 458 CA LEU A 26 6.989 -8.857 -1.552 1.00 0.00 C ATOM 459 C LEU A 26 6.907 -10.168 -0.776 1.00 0.00 C ATOM 460 O LEU A 26 5.888 -10.857 -0.811 1.00 0.00 O ATOM 461 CB LEU A 26 7.517 -9.119 -2.963 1.00 0.00 C ATOM 462 CG LEU A 26 7.171 -8.066 -4.016 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.760 -8.446 -5.366 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.663 -7.891 -4.120 1.00 0.00 C ATOM 0 H LEU A 26 8.647 -7.581 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 26 5.987 -8.432 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.602 -9.210 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.132 -10.081 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 26 7.607 -7.116 -3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.503 -7.685 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.844 -8.519 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.355 -9.407 -5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.435 -7.138 -4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.205 -8.839 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.267 -7.571 -3.156 1.00 0.00 H new ATOM 476 N GLN A 27 7.985 -10.502 -0.075 1.00 0.00 N ATOM 477 CA GLN A 27 8.034 -11.729 0.712 1.00 0.00 C ATOM 478 C GLN A 27 7.093 -11.646 1.910 1.00 0.00 C ATOM 479 O GLN A 27 6.313 -12.565 2.165 1.00 0.00 O ATOM 480 CB GLN A 27 9.462 -12.000 1.186 1.00 0.00 C ATOM 481 CG GLN A 27 10.354 -12.609 0.117 1.00 0.00 C ATOM 482 CD GLN A 27 9.961 -14.031 -0.230 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.027 -14.588 0.346 1.00 0.00 O ATOM 484 NE2 GLN A 27 10.676 -14.629 -1.177 1.00 0.00 N ATOM 0 H GLN A 27 8.836 -9.941 -0.036 1.00 0.00 H new ATOM 0 HA GLN A 27 7.709 -12.552 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.906 -11.065 1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.429 -12.670 2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.309 -11.994 -0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.388 -12.596 0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.442 -14.130 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.458 -15.587 -1.452 1.00 0.00 H new ATOM 493 N LEU A 28 7.173 -10.541 2.642 1.00 0.00 N ATOM 494 CA LEU A 28 6.329 -10.336 3.814 1.00 0.00 C ATOM 495 C LEU A 28 4.865 -10.191 3.412 1.00 0.00 C ATOM 496 O LEU A 28 3.983 -10.813 4.005 1.00 0.00 O ATOM 497 CB LEU A 28 6.784 -9.096 4.585 1.00 0.00 C ATOM 498 CG LEU A 28 8.280 -9.008 4.890 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.580 -7.782 5.740 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.757 -10.273 5.589 1.00 0.00 C ATOM 0 H LEU A 28 7.814 -9.773 2.445 1.00 0.00 H new ATOM 0 HA LEU A 28 6.425 -11.211 4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.497 -8.212 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.238 -9.058 5.528 1.00 0.00 H new ATOM 0 HG LEU A 28 8.819 -8.912 3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.649 -7.736 5.947 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.275 -6.884 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.031 -7.847 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.824 -10.193 5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.212 -10.399 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.577 -11.134 4.945 1.00 0.00 H new ATOM 512 N PHE A 29 4.614 -9.366 2.401 1.00 0.00 N ATOM 513 CA PHE A 29 3.256 -9.139 1.919 1.00 0.00 C ATOM 514 C PHE A 29 2.688 -10.402 1.278 1.00 0.00 C ATOM 515 O PHE A 29 1.492 -10.676 1.375 1.00 0.00 O ATOM 516 CB PHE A 29 3.236 -7.989 0.910 1.00 0.00 C ATOM 517 CG PHE A 29 3.164 -6.631 1.550 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.279 -6.078 2.157 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.981 -5.910 1.543 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.216 -4.829 2.747 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.913 -4.660 2.131 1.00 0.00 C ATOM 522 CZ PHE A 29 3.032 -4.120 2.734 1.00 0.00 C ATOM 0 H PHE A 29 5.332 -8.844 1.900 1.00 0.00 H new ATOM 0 HA PHE A 29 2.633 -8.875 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.132 -8.043 0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.381 -8.114 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.208 -6.628 2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.103 -6.328 1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.093 -4.409 3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.986 -4.107 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.981 -3.145 3.195 1.00 0.00 H new ATOM 532 N SER A 30 3.556 -11.167 0.623 1.00 0.00 N ATOM 533 CA SER A 30 3.141 -12.399 -0.037 1.00 0.00 C ATOM 534 C SER A 30 2.503 -13.362 0.959 1.00 0.00 C ATOM 535 O SER A 30 1.553 -14.073 0.631 1.00 0.00 O ATOM 536 CB SER A 30 4.338 -13.067 -0.715 1.00 0.00 C ATOM 537 OG SER A 30 4.108 -14.452 -0.907 1.00 0.00 O ATOM 0 H SER A 30 4.550 -10.955 0.535 1.00 0.00 H new ATOM 0 HA SER A 30 2.399 -12.144 -0.794 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.528 -12.590 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.231 -12.924 -0.106 1.00 0.00 H new ATOM 0 HG SER A 30 4.887 -14.856 -1.343 1.00 0.00 H new ATOM 543 N GLN A 31 3.033 -13.380 2.178 1.00 0.00 N ATOM 544 CA GLN A 31 2.517 -14.255 3.223 1.00 0.00 C ATOM 545 C GLN A 31 1.033 -13.999 3.464 1.00 0.00 C ATOM 546 O GLN A 31 0.275 -14.921 3.767 1.00 0.00 O ATOM 547 CB GLN A 31 3.299 -14.052 4.521 1.00 0.00 C ATOM 548 CG GLN A 31 4.794 -14.282 4.373 1.00 0.00 C ATOM 549 CD GLN A 31 5.489 -14.482 5.706 1.00 0.00 C ATOM 550 OE1 GLN A 31 4.975 -14.087 6.752 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.665 -15.097 5.674 1.00 0.00 N ATOM 0 H GLN A 31 3.820 -12.798 2.466 1.00 0.00 H new ATOM 0 HA GLN A 31 2.640 -15.286 2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.130 -13.038 4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.909 -14.730 5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.963 -15.157 3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.240 -13.430 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.054 -15.408 4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.180 -15.259 6.540 1.00 0.00 H new ATOM 560 N ILE A 32 0.625 -12.742 3.327 1.00 0.00 N ATOM 561 CA ILE A 32 -0.769 -12.365 3.530 1.00 0.00 C ATOM 562 C ILE A 32 -1.610 -12.693 2.302 1.00 0.00 C ATOM 563 O ILE A 32 -2.659 -13.329 2.406 1.00 0.00 O ATOM 564 CB ILE A 32 -0.905 -10.864 3.847 1.00 0.00 C ATOM 565 CG1 ILE A 32 0.003 -10.482 5.017 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.354 -10.519 4.159 1.00 0.00 C ATOM 567 CD1 ILE A 32 0.278 -8.998 5.110 1.00 0.00 C ATOM 0 H ILE A 32 1.239 -11.967 3.076 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.132 -12.941 4.381 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.595 -10.293 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.456 -10.817 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.950 -11.013 4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.435 -9.455 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.978 -10.759 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.688 -11.096 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.928 -8.801 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.766 -8.660 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.662 -8.461 5.239 1.00 0.00 H new ATOM 579 N GLY A 33 -1.143 -12.256 1.136 1.00 0.00 N ATOM 580 CA GLY A 33 -1.865 -12.514 -0.096 1.00 0.00 C ATOM 581 C GLY A 33 -0.978 -12.409 -1.320 1.00 0.00 C ATOM 582 O GLY A 33 0.173 -11.978 -1.244 1.00 0.00 O ATOM 0 H GLY A 33 -0.278 -11.728 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.305 -13.511 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.689 -11.806 -0.186 1.00 0.00 H new ATOM 586 N PRO A 34 -1.514 -12.810 -2.482 1.00 0.00 N ATOM 587 CA PRO A 34 -0.780 -12.770 -3.749 1.00 0.00 C ATOM 588 C PRO A 34 -0.545 -11.344 -4.239 1.00 0.00 C ATOM 589 O PRO A 34 -1.485 -10.556 -4.357 1.00 0.00 O ATOM 590 CB PRO A 34 -1.698 -13.522 -4.716 1.00 0.00 C ATOM 591 CG PRO A 34 -3.063 -13.367 -4.139 1.00 0.00 C ATOM 592 CD PRO A 34 -2.880 -13.335 -2.647 1.00 0.00 C ATOM 0 HA PRO A 34 0.214 -13.207 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.643 -13.103 -5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.417 -14.572 -4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.535 -12.451 -4.494 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.708 -14.194 -4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.618 -12.693 -2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.985 -14.327 -2.208 1.00 0.00 H new ATOM 600 N CYS A 35 0.711 -11.020 -4.521 1.00 0.00 N ATOM 601 CA CYS A 35 1.069 -9.688 -4.997 1.00 0.00 C ATOM 602 C CYS A 35 1.246 -9.681 -6.512 1.00 0.00 C ATOM 603 O CYS A 35 1.967 -10.510 -7.067 1.00 0.00 O ATOM 604 CB CYS A 35 2.353 -9.210 -4.319 1.00 0.00 C ATOM 605 SG CYS A 35 2.286 -9.224 -2.513 1.00 0.00 S ATOM 0 H CYS A 35 1.499 -11.661 -4.429 1.00 0.00 H new ATOM 0 HA CYS A 35 0.257 -9.007 -4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.180 -9.841 -4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.573 -8.197 -4.655 1.00 0.00 H new ATOM 0 HG CYS A 35 1.094 -8.885 -2.120 1.00 0.00 H new ATOM 611 N LYS A 36 0.580 -8.743 -7.176 1.00 0.00 N ATOM 612 CA LYS A 36 0.662 -8.626 -8.627 1.00 0.00 C ATOM 613 C LYS A 36 2.017 -8.071 -9.053 1.00 0.00 C ATOM 614 O LYS A 36 2.685 -8.635 -9.921 1.00 0.00 O ATOM 615 CB LYS A 36 -0.457 -7.725 -9.151 1.00 0.00 C ATOM 616 CG LYS A 36 -0.920 -8.082 -10.554 1.00 0.00 C ATOM 617 CD LYS A 36 -2.381 -7.726 -10.767 1.00 0.00 C ATOM 618 CE LYS A 36 -2.818 -8.001 -12.197 1.00 0.00 C ATOM 619 NZ LYS A 36 -3.338 -9.388 -12.362 1.00 0.00 N ATOM 0 H LYS A 36 -0.024 -8.051 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 36 0.547 -9.623 -9.053 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.307 -7.783 -8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.113 -6.691 -9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.306 -7.556 -11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.776 -9.149 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.001 -8.301 -10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.538 -6.673 -10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.590 -7.287 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.975 -7.847 -12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.886 -9.832 -13.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.124 -9.943 -11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.368 -9.358 -12.506 1.00 0.00 H new ATOM 633 N SER A 37 2.419 -6.965 -8.436 1.00 0.00 N ATOM 634 CA SER A 37 3.694 -6.332 -8.753 1.00 0.00 C ATOM 635 C SER A 37 4.080 -5.319 -7.680 1.00 0.00 C ATOM 636 O SER A 37 3.221 -4.650 -7.104 1.00 0.00 O ATOM 637 CB SER A 37 3.621 -5.644 -10.117 1.00 0.00 C ATOM 638 OG SER A 37 4.889 -5.623 -10.747 1.00 0.00 O ATOM 0 H SER A 37 1.880 -6.488 -7.713 1.00 0.00 H new ATOM 0 HA SER A 37 4.458 -7.109 -8.786 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.905 -6.165 -10.752 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.256 -4.624 -9.994 1.00 0.00 H new ATOM 0 HG SER A 37 4.814 -5.179 -11.618 1.00 0.00 H new ATOM 644 N CYS A 38 5.377 -5.212 -7.415 1.00 0.00 N ATOM 645 CA CYS A 38 5.879 -4.281 -6.410 1.00 0.00 C ATOM 646 C CYS A 38 6.997 -3.416 -6.981 1.00 0.00 C ATOM 647 O CYS A 38 7.940 -3.923 -7.587 1.00 0.00 O ATOM 648 CB CYS A 38 6.382 -5.045 -5.183 1.00 0.00 C ATOM 649 SG CYS A 38 7.188 -4.003 -3.945 1.00 0.00 S ATOM 0 H CYS A 38 6.101 -5.758 -7.882 1.00 0.00 H new ATOM 0 HA CYS A 38 5.058 -3.629 -6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.541 -5.559 -4.718 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.084 -5.813 -5.509 1.00 0.00 H new ATOM 0 HG CYS A 38 6.515 -2.900 -3.802 1.00 0.00 H new ATOM 655 N LYS A 39 6.885 -2.107 -6.782 1.00 0.00 N ATOM 656 CA LYS A 39 7.886 -1.170 -7.277 1.00 0.00 C ATOM 657 C LYS A 39 8.472 -0.346 -6.134 1.00 0.00 C ATOM 658 O LYS A 39 7.793 0.503 -5.557 1.00 0.00 O ATOM 659 CB LYS A 39 7.271 -0.240 -8.325 1.00 0.00 C ATOM 660 CG LYS A 39 8.298 0.567 -9.101 1.00 0.00 C ATOM 661 CD LYS A 39 7.661 1.306 -10.265 1.00 0.00 C ATOM 662 CE LYS A 39 8.686 2.132 -11.028 1.00 0.00 C ATOM 663 NZ LYS A 39 8.052 3.258 -11.767 1.00 0.00 N ATOM 0 H LYS A 39 6.111 -1.671 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 39 8.689 -1.746 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.684 -0.834 -9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.581 0.445 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.780 1.282 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.078 -0.097 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.194 0.589 -10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.870 1.958 -9.895 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.426 2.526 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.219 1.491 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.784 3.796 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.364 2.881 -12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.565 3.884 -11.094 1.00 0.00 H new ATOM 677 N MET A 40 9.736 -0.603 -5.813 1.00 0.00 N ATOM 678 CA MET A 40 10.413 0.117 -4.741 1.00 0.00 C ATOM 679 C MET A 40 11.098 1.370 -5.276 1.00 0.00 C ATOM 680 O MET A 40 12.000 1.288 -6.110 1.00 0.00 O ATOM 681 CB MET A 40 11.441 -0.789 -4.059 1.00 0.00 C ATOM 682 CG MET A 40 12.380 -0.045 -3.124 1.00 0.00 C ATOM 683 SD MET A 40 13.505 -1.149 -2.247 1.00 0.00 S ATOM 684 CE MET A 40 12.508 -1.587 -0.825 1.00 0.00 C ATOM 0 H MET A 40 10.312 -1.304 -6.280 1.00 0.00 H new ATOM 0 HA MET A 40 9.663 0.419 -4.010 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.916 -1.561 -3.496 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.029 -1.297 -4.823 1.00 0.00 H new ATOM 0 HG2 MET A 40 12.960 0.678 -3.697 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.793 0.520 -2.400 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.071 -1.392 0.088 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.596 -0.991 -0.823 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.250 -2.645 -0.873 1.00 0.00 H new ATOM 694 N ILE A 41 10.664 2.529 -4.791 1.00 0.00 N ATOM 695 CA ILE A 41 11.236 3.799 -5.220 1.00 0.00 C ATOM 696 C ILE A 41 12.101 4.410 -4.124 1.00 0.00 C ATOM 697 O ILE A 41 11.637 4.643 -3.007 1.00 0.00 O ATOM 698 CB ILE A 41 10.140 4.805 -5.616 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.155 4.163 -6.595 1.00 0.00 C ATOM 700 CG2 ILE A 41 10.762 6.053 -6.225 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.167 5.142 -7.189 1.00 0.00 C ATOM 0 H ILE A 41 9.918 2.614 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 41 11.855 3.588 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 41 9.593 5.095 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.714 3.689 -7.402 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.607 3.373 -6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.975 6.755 -6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.427 6.520 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.331 5.779 -7.114 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.501 4.617 -7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.581 5.598 -6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.706 5.918 -7.732 1.00 0.00 H new ATOM 810 N PRO A 49 13.011 5.820 2.078 1.00 0.00 N ATOM 811 CA PRO A 49 12.483 5.329 0.802 1.00 0.00 C ATOM 812 C PRO A 49 11.058 4.801 0.928 1.00 0.00 C ATOM 813 O PRO A 49 10.515 4.712 2.029 1.00 0.00 O ATOM 814 CB PRO A 49 13.443 4.196 0.433 1.00 0.00 C ATOM 815 CG PRO A 49 13.999 3.731 1.735 1.00 0.00 C ATOM 816 CD PRO A 49 14.074 4.951 2.611 1.00 0.00 C ATOM 0 HA PRO A 49 12.427 6.119 0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.924 3.390 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.232 4.547 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.361 2.968 2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.984 3.285 1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.904 4.704 3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.052 5.429 2.551 1.00 0.00 H new ATOM 824 N TYR A 50 10.460 4.453 -0.205 1.00 0.00 N ATOM 825 CA TYR A 50 9.096 3.935 -0.221 1.00 0.00 C ATOM 826 C TYR A 50 8.872 3.027 -1.426 1.00 0.00 C ATOM 827 O TYR A 50 9.490 3.207 -2.476 1.00 0.00 O ATOM 828 CB TYR A 50 8.091 5.088 -0.243 1.00 0.00 C ATOM 829 CG TYR A 50 8.038 5.820 -1.565 1.00 0.00 C ATOM 830 CD1 TYR A 50 7.202 5.387 -2.588 1.00 0.00 C ATOM 831 CD2 TYR A 50 8.822 6.944 -1.790 1.00 0.00 C ATOM 832 CE1 TYR A 50 7.152 6.053 -3.797 1.00 0.00 C ATOM 833 CE2 TYR A 50 8.776 7.616 -2.997 1.00 0.00 C ATOM 834 CZ TYR A 50 7.940 7.167 -3.997 1.00 0.00 C ATOM 835 OH TYR A 50 7.891 7.833 -5.200 1.00 0.00 O ATOM 0 H TYR A 50 10.897 4.520 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 50 8.946 3.348 0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.099 4.699 -0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.346 5.796 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.582 4.516 -2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.478 7.299 -1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.499 5.703 -4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.392 8.489 -3.156 1.00 0.00 H new ATOM 0 HH TYR A 50 8.506 8.596 -5.177 1.00 0.00 H new ATOM 845 N CYS A 51 7.985 2.052 -1.267 1.00 0.00 N ATOM 846 CA CYS A 51 7.679 1.114 -2.341 1.00 0.00 C ATOM 847 C CYS A 51 6.173 0.906 -2.467 1.00 0.00 C ATOM 848 O CYS A 51 5.429 1.068 -1.500 1.00 0.00 O ATOM 849 CB CYS A 51 8.371 -0.227 -2.090 1.00 0.00 C ATOM 850 SG CYS A 51 7.819 -1.073 -0.591 1.00 0.00 S ATOM 0 H CYS A 51 7.465 1.890 -0.405 1.00 0.00 H new ATOM 0 HA CYS A 51 8.050 1.536 -3.275 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.198 -0.879 -2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.447 -0.062 -2.026 1.00 0.00 H new ATOM 0 HG CYS A 51 6.691 -1.677 -0.824 1.00 0.00 H new ATOM 856 N PHE A 52 5.729 0.547 -3.668 1.00 0.00 N ATOM 857 CA PHE A 52 4.311 0.318 -3.922 1.00 0.00 C ATOM 858 C PHE A 52 4.007 -1.174 -4.006 1.00 0.00 C ATOM 859 O PHE A 52 4.797 -1.951 -4.542 1.00 0.00 O ATOM 860 CB PHE A 52 3.886 1.011 -5.219 1.00 0.00 C ATOM 861 CG PHE A 52 3.958 2.510 -5.149 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.232 3.208 -4.198 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.751 3.220 -6.036 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.295 4.587 -4.133 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.819 4.600 -5.975 1.00 0.00 C ATOM 866 CZ PHE A 52 4.091 5.283 -5.021 1.00 0.00 C ATOM 0 H PHE A 52 6.331 0.409 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 52 3.746 0.739 -3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.522 0.662 -6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.865 0.715 -5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.610 2.668 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.322 2.690 -6.783 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.722 5.120 -3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.440 5.142 -6.672 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.144 6.360 -4.969 1.00 0.00 H new ATOM 876 N VAL A 53 2.855 -1.568 -3.472 1.00 0.00 N ATOM 877 CA VAL A 53 2.445 -2.966 -3.485 1.00 0.00 C ATOM 878 C VAL A 53 1.053 -3.125 -4.086 1.00 0.00 C ATOM 879 O VAL A 53 0.069 -2.632 -3.535 1.00 0.00 O ATOM 880 CB VAL A 53 2.452 -3.569 -2.068 1.00 0.00 C ATOM 881 CG1 VAL A 53 1.940 -5.001 -2.093 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.848 -3.502 -1.468 1.00 0.00 C ATOM 0 H VAL A 53 2.189 -0.938 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 53 3.168 -3.500 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 53 1.783 -2.982 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.953 -5.410 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.920 -5.016 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.580 -5.605 -2.737 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.835 -3.932 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.541 -4.063 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.170 -2.462 -1.412 1.00 0.00 H new ATOM 892 N GLU A 54 0.977 -3.816 -5.219 1.00 0.00 N ATOM 893 CA GLU A 54 -0.296 -4.039 -5.894 1.00 0.00 C ATOM 894 C GLU A 54 -0.738 -5.493 -5.757 1.00 0.00 C ATOM 895 O GLU A 54 0.016 -6.415 -6.071 1.00 0.00 O ATOM 896 CB GLU A 54 -0.185 -3.667 -7.374 1.00 0.00 C ATOM 897 CG GLU A 54 -1.501 -3.768 -8.127 1.00 0.00 C ATOM 898 CD GLU A 54 -1.307 -3.901 -9.626 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.311 -4.531 -10.040 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.149 -3.377 -10.383 1.00 0.00 O ATOM 0 H GLU A 54 1.782 -4.231 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.045 -3.404 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.194 -2.648 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.547 -4.319 -7.850 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.061 -4.628 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.103 -2.883 -7.919 1.00 0.00 H new ATOM 907 N PHE A 55 -1.964 -5.691 -5.285 1.00 0.00 N ATOM 908 CA PHE A 55 -2.507 -7.032 -5.103 1.00 0.00 C ATOM 909 C PHE A 55 -3.491 -7.375 -6.217 1.00 0.00 C ATOM 910 O PHE A 55 -3.816 -6.534 -7.055 1.00 0.00 O ATOM 911 CB PHE A 55 -3.198 -7.146 -3.743 1.00 0.00 C ATOM 912 CG PHE A 55 -2.250 -7.415 -2.609 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.551 -6.378 -2.014 1.00 0.00 C ATOM 914 CD2 PHE A 55 -2.059 -8.704 -2.140 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.677 -6.622 -0.971 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.187 -8.955 -1.097 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.496 -7.913 -0.511 1.00 0.00 C ATOM 0 H PHE A 55 -2.601 -4.939 -5.021 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.680 -7.740 -5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.740 -6.222 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.937 -7.946 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.690 -5.367 -2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.597 -9.523 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.136 -5.805 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.046 -9.965 -0.741 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.185 -8.106 0.305 1.00 0.00 H new ATOM 927 N TYR A 56 -3.962 -8.618 -6.220 1.00 0.00 N ATOM 928 CA TYR A 56 -4.908 -9.074 -7.232 1.00 0.00 C ATOM 929 C TYR A 56 -6.333 -8.668 -6.869 1.00 0.00 C ATOM 930 O TYR A 56 -7.105 -8.241 -7.727 1.00 0.00 O ATOM 931 CB TYR A 56 -4.822 -10.593 -7.391 1.00 0.00 C ATOM 932 CG TYR A 56 -3.556 -11.061 -8.070 1.00 0.00 C ATOM 933 CD1 TYR A 56 -3.489 -11.175 -9.454 1.00 0.00 C ATOM 934 CD2 TYR A 56 -2.427 -11.391 -7.331 1.00 0.00 C ATOM 935 CE1 TYR A 56 -2.333 -11.603 -10.080 1.00 0.00 C ATOM 936 CE2 TYR A 56 -1.268 -11.817 -7.948 1.00 0.00 C ATOM 937 CZ TYR A 56 -1.226 -11.922 -9.323 1.00 0.00 C ATOM 938 OH TYR A 56 -0.073 -12.348 -9.942 1.00 0.00 O ATOM 0 H TYR A 56 -3.704 -9.327 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.646 -8.601 -8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.889 -11.057 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.681 -10.939 -7.966 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.354 -10.925 -10.050 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.457 -11.313 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.297 -11.687 -11.156 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.399 -12.067 -7.358 1.00 0.00 H new ATOM 0 HH TYR A 56 0.613 -12.531 -9.266 1.00 0.00 H new ATOM 948 N GLU A 57 -6.673 -8.805 -5.591 1.00 0.00 N ATOM 949 CA GLU A 57 -8.005 -8.453 -5.114 1.00 0.00 C ATOM 950 C GLU A 57 -7.927 -7.407 -4.007 1.00 0.00 C ATOM 951 O GLU A 57 -6.865 -7.178 -3.426 1.00 0.00 O ATOM 952 CB GLU A 57 -8.734 -9.698 -4.604 1.00 0.00 C ATOM 953 CG GLU A 57 -8.497 -10.934 -5.456 1.00 0.00 C ATOM 954 CD GLU A 57 -9.670 -11.895 -5.428 1.00 0.00 C ATOM 955 OE1 GLU A 57 -10.077 -12.304 -4.321 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.180 -12.237 -6.515 1.00 0.00 O ATOM 0 H GLU A 57 -6.045 -9.157 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.563 -8.031 -5.950 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.413 -9.904 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.804 -9.493 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.305 -10.630 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.603 -11.448 -5.104 1.00 0.00 H new ATOM 963 N HIS A 58 -9.060 -6.773 -3.718 1.00 0.00 N ATOM 964 CA HIS A 58 -9.121 -5.750 -2.680 1.00 0.00 C ATOM 965 C HIS A 58 -9.041 -6.379 -1.293 1.00 0.00 C ATOM 966 O HIS A 58 -8.534 -5.768 -0.352 1.00 0.00 O ATOM 967 CB HIS A 58 -10.409 -4.936 -2.811 1.00 0.00 C ATOM 968 CG HIS A 58 -10.590 -3.922 -1.724 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.050 -2.655 -1.780 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.258 -3.994 -0.549 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.376 -1.991 -0.686 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.109 -2.781 0.078 1.00 0.00 N ATOM 0 H HIS A 58 -9.948 -6.950 -4.188 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.266 -5.086 -2.808 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.411 -4.427 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.261 -5.616 -2.808 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.487 -2.288 -2.547 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.806 -4.846 -0.174 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.092 -0.975 -0.455 1.00 0.00 H new ATOM 980 N ARG A 59 -9.546 -7.602 -1.173 1.00 0.00 N ATOM 981 CA ARG A 59 -9.533 -8.313 0.100 1.00 0.00 C ATOM 982 C ARG A 59 -8.104 -8.510 0.599 1.00 0.00 C ATOM 983 O ARG A 59 -7.833 -8.397 1.794 1.00 0.00 O ATOM 984 CB ARG A 59 -10.226 -9.670 -0.041 1.00 0.00 C ATOM 985 CG ARG A 59 -9.606 -10.563 -1.102 1.00 0.00 C ATOM 986 CD ARG A 59 -9.998 -12.018 -0.903 1.00 0.00 C ATOM 987 NE ARG A 59 -9.536 -12.539 0.381 1.00 0.00 N ATOM 988 CZ ARG A 59 -9.561 -13.826 0.704 1.00 0.00 C ATOM 989 NH1 ARG A 59 -10.023 -14.721 -0.159 1.00 0.00 N ATOM 990 NH2 ARG A 59 -9.123 -14.222 1.893 1.00 0.00 N ATOM 0 H ARG A 59 -9.969 -8.122 -1.942 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.075 -7.710 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.195 -10.186 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.277 -9.509 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.925 -10.231 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.521 -10.470 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.082 -12.113 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.580 -12.620 -1.710 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.174 -11.877 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.360 -14.421 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.041 -15.709 0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.767 -13.537 2.559 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.143 -15.211 2.140 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.196 -8.805 -0.324 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.795 -9.016 0.021 1.00 0.00 C ATOM 1006 C ASP A 60 -5.114 -7.695 0.361 1.00 0.00 C ATOM 1007 O ASP A 60 -4.406 -7.591 1.363 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.061 -9.701 -1.133 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.865 -10.836 -1.738 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.258 -11.752 -0.986 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -6.101 -10.808 -2.965 1.00 0.00 O ATOM 0 H ASP A 60 -7.405 -8.904 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.756 -9.660 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.838 -8.965 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.106 -10.086 -0.775 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.330 -6.690 -0.480 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.737 -5.375 -0.268 1.00 0.00 C ATOM 1018 C ALA A 61 -5.179 -4.782 1.065 1.00 0.00 C ATOM 1019 O ALA A 61 -4.377 -4.191 1.788 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.104 -4.440 -1.411 1.00 0.00 C ATOM 0 H ALA A 61 -5.911 -6.761 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.654 -5.492 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.655 -3.462 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.733 -4.850 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.188 -4.337 -1.463 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.458 -4.943 1.385 1.00 0.00 N ATOM 1027 CA ALA A 62 -7.005 -4.426 2.633 1.00 0.00 C ATOM 1028 C ALA A 62 -6.453 -5.187 3.833 1.00 0.00 C ATOM 1029 O ALA A 62 -6.107 -4.591 4.851 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.525 -4.498 2.613 1.00 0.00 C ATOM 0 H ALA A 62 -7.136 -5.428 0.797 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.703 -3.383 2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.920 -4.109 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.907 -3.902 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.839 -5.535 2.490 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.373 -6.508 3.703 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.862 -7.351 4.778 1.00 0.00 C ATOM 1038 C ALA A 63 -4.383 -7.079 5.031 1.00 0.00 C ATOM 1039 O ALA A 63 -3.962 -6.903 6.174 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.081 -8.819 4.446 1.00 0.00 C ATOM 0 H ALA A 63 -6.655 -7.017 2.865 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.411 -7.110 5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.695 -9.437 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.147 -9.009 4.321 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.558 -9.065 3.522 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.600 -7.047 3.958 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.168 -6.796 4.065 1.00 0.00 C ATOM 1048 C ALA A 64 -1.892 -5.352 4.471 1.00 0.00 C ATOM 1049 O ALA A 64 -0.931 -5.070 5.186 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.476 -7.117 2.748 1.00 0.00 C ATOM 0 H ALA A 64 -3.933 -7.192 3.005 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.767 -7.447 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.407 -6.925 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.636 -8.166 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.889 -6.490 1.958 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.741 -4.441 4.009 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.590 -3.025 4.324 1.00 0.00 C ATOM 1058 C LEU A 65 -2.659 -2.791 5.830 1.00 0.00 C ATOM 1059 O LEU A 65 -1.787 -2.143 6.408 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.673 -2.206 3.619 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.952 -0.820 4.201 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.907 0.179 3.728 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.349 -0.354 3.819 1.00 0.00 C ATOM 0 H LEU A 65 -3.541 -4.658 3.415 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.611 -2.703 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.388 -2.088 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.601 -2.778 3.634 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.896 -0.885 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.122 1.159 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.919 -0.147 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.930 0.242 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.531 0.634 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.432 -0.305 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.086 -1.056 4.208 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.701 -3.324 6.458 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.881 -3.177 7.897 1.00 0.00 C ATOM 1077 C ALA A 66 -2.813 -3.947 8.666 1.00 0.00 C ATOM 1078 O ALA A 66 -2.272 -3.454 9.657 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.270 -3.649 8.306 1.00 0.00 C ATOM 0 H ALA A 66 -4.433 -3.861 5.994 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.779 -2.120 8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.391 -3.534 9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.023 -3.053 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.391 -4.698 8.038 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.512 -5.156 8.205 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.508 -5.992 8.848 1.00 0.00 C ATOM 1087 C ALA A 67 -0.121 -5.367 8.737 1.00 0.00 C ATOM 1088 O ALA A 67 0.688 -5.460 9.659 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.511 -7.386 8.239 1.00 0.00 C ATOM 0 H ALA A 67 -2.951 -5.579 7.387 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.760 -6.070 9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.755 -7.999 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.492 -7.841 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.288 -7.318 7.174 1.00 0.00 H new ATOM 1095 N MET A 68 0.148 -4.732 7.600 1.00 0.00 N ATOM 1096 CA MET A 68 1.437 -4.092 7.369 1.00 0.00 C ATOM 1097 C MET A 68 1.400 -2.627 7.790 1.00 0.00 C ATOM 1098 O MET A 68 2.441 -1.990 7.949 1.00 0.00 O ATOM 1099 CB MET A 68 1.828 -4.201 5.893 1.00 0.00 C ATOM 1100 CG MET A 68 1.976 -5.634 5.409 1.00 0.00 C ATOM 1101 SD MET A 68 3.234 -6.549 6.320 1.00 0.00 S ATOM 1102 CE MET A 68 4.681 -5.543 6.002 1.00 0.00 C ATOM 0 H MET A 68 -0.510 -4.647 6.825 1.00 0.00 H new ATOM 0 HA MET A 68 2.183 -4.607 7.974 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.074 -3.697 5.288 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.769 -3.673 5.735 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.019 -6.146 5.505 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.231 -5.631 4.349 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.474 -6.167 5.590 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.429 -4.758 5.289 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.022 -5.091 6.934 1.00 0.00 H new ATOM 1112 N ASN A 69 0.194 -2.097 7.969 1.00 0.00 N ATOM 1113 CA ASN A 69 0.022 -0.706 8.370 1.00 0.00 C ATOM 1114 C ASN A 69 0.759 -0.421 9.676 1.00 0.00 C ATOM 1115 O ASN A 69 0.282 -0.762 10.758 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.464 -0.380 8.530 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.704 0.781 9.476 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -1.909 0.587 10.675 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.677 1.996 8.942 1.00 0.00 N ATOM 0 H ASN A 69 -0.678 -2.610 7.843 1.00 0.00 H new ATOM 0 HA ASN A 69 0.445 -0.074 7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.888 -0.143 7.554 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.988 -1.261 8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.830 2.815 9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.504 2.110 7.943 1.00 0.00 H new ATOM 1126 N GLY A 70 1.927 0.206 9.565 1.00 0.00 N ATOM 1127 CA GLY A 70 2.710 0.526 10.744 1.00 0.00 C ATOM 1128 C GLY A 70 3.339 -0.701 11.373 1.00 0.00 C ATOM 1129 O GLY A 70 3.449 -0.793 12.595 1.00 0.00 O ATOM 0 H GLY A 70 2.344 0.497 8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.493 1.234 10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.072 1.020 11.477 1.00 0.00 H new ATOM 1133 N ARG A 71 3.752 -1.648 10.536 1.00 0.00 N ATOM 1134 CA ARG A 71 4.370 -2.877 11.018 1.00 0.00 C ATOM 1135 C ARG A 71 5.855 -2.664 11.301 1.00 0.00 C ATOM 1136 O ARG A 71 6.474 -1.744 10.767 1.00 0.00 O ATOM 1137 CB ARG A 71 4.191 -3.998 9.993 1.00 0.00 C ATOM 1138 CG ARG A 71 4.182 -5.388 10.608 1.00 0.00 C ATOM 1139 CD ARG A 71 4.156 -6.471 9.539 1.00 0.00 C ATOM 1140 NE ARG A 71 4.154 -7.811 10.117 1.00 0.00 N ATOM 1141 CZ ARG A 71 3.103 -8.348 10.727 1.00 0.00 C ATOM 1142 NH1 ARG A 71 1.975 -7.660 10.838 1.00 0.00 N ATOM 1143 NH2 ARG A 71 3.179 -9.574 11.228 1.00 0.00 N ATOM 0 H ARG A 71 3.670 -1.587 9.521 1.00 0.00 H new ATOM 0 HA ARG A 71 3.878 -3.162 11.948 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.256 -3.842 9.455 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.995 -3.940 9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.065 -5.515 11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.312 -5.494 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.271 -6.344 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.023 -6.358 8.888 1.00 0.00 H new ATOM 0 HE ARG A 71 5.007 -8.366 10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.913 -6.717 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.169 -8.074 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.045 -10.106 11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.371 -9.985 11.696 1.00 0.00 H new ATOM 1157 N LYS A 72 6.419 -3.521 12.145 1.00 0.00 N ATOM 1158 CA LYS A 72 7.831 -3.429 12.498 1.00 0.00 C ATOM 1159 C LYS A 72 8.681 -4.294 11.574 1.00 0.00 C ATOM 1160 O LYS A 72 8.577 -5.521 11.588 1.00 0.00 O ATOM 1161 CB LYS A 72 8.042 -3.857 13.953 1.00 0.00 C ATOM 1162 CG LYS A 72 7.947 -2.711 14.944 1.00 0.00 C ATOM 1163 CD LYS A 72 9.312 -2.113 15.238 1.00 0.00 C ATOM 1164 CE LYS A 72 9.872 -1.380 14.028 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.683 -2.279 13.161 1.00 0.00 N ATOM 0 H LYS A 72 5.920 -4.287 12.597 1.00 0.00 H new ATOM 0 HA LYS A 72 8.142 -2.391 12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.300 -4.612 14.212 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.021 -4.327 14.046 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.289 -1.939 14.546 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.497 -3.067 15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.235 -1.424 16.079 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.000 -2.904 15.536 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.052 -0.958 13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.488 -0.545 14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.663 -1.928 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.665 -2.297 13.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.288 -3.241 13.192 1.00 0.00 H new ATOM 1179 N ILE A 73 9.523 -3.648 10.774 1.00 0.00 N ATOM 1180 CA ILE A 73 10.393 -4.360 9.846 1.00 0.00 C ATOM 1181 C ILE A 73 11.820 -3.826 9.910 1.00 0.00 C ATOM 1182 O ILE A 73 12.062 -2.641 9.673 1.00 0.00 O ATOM 1183 CB ILE A 73 9.880 -4.250 8.398 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.500 -4.899 8.271 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.866 -4.897 7.438 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.791 -4.565 6.978 1.00 0.00 C ATOM 0 H ILE A 73 9.621 -2.633 10.750 1.00 0.00 H new ATOM 0 HA ILE A 73 10.386 -5.408 10.147 1.00 0.00 H new ATOM 0 HB ILE A 73 9.789 -3.195 8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.608 -5.981 8.347 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.879 -4.581 9.109 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.490 -4.812 6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.830 -4.394 7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.985 -5.950 7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.820 -5.059 6.957 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.651 -3.486 6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.391 -4.908 6.135 1.00 0.00 H new ATOM 1198 N LEU A 74 12.761 -4.707 10.231 1.00 0.00 N ATOM 1199 CA LEU A 74 14.166 -4.324 10.324 1.00 0.00 C ATOM 1200 C LEU A 74 14.364 -3.232 11.371 1.00 0.00 C ATOM 1201 O LEU A 74 15.160 -2.313 11.181 1.00 0.00 O ATOM 1202 CB LEU A 74 14.675 -3.844 8.965 1.00 0.00 C ATOM 1203 CG LEU A 74 14.806 -4.914 7.882 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.044 -4.272 6.523 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.929 -5.882 8.220 1.00 0.00 C ATOM 0 H LEU A 74 12.577 -5.690 10.431 1.00 0.00 H new ATOM 0 HA LEU A 74 14.737 -5.201 10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.002 -3.068 8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.650 -3.379 9.108 1.00 0.00 H new ATOM 0 HG LEU A 74 13.872 -5.474 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.135 -5.049 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.206 -3.620 6.277 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.962 -3.686 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.007 -6.637 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.870 -5.337 8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.716 -6.368 9.172 1.00 0.00 H new ATOM 1217 N GLY A 75 13.636 -3.339 12.478 1.00 0.00 N ATOM 1218 CA GLY A 75 13.748 -2.355 13.538 1.00 0.00 C ATOM 1219 C GLY A 75 13.123 -1.026 13.165 1.00 0.00 C ATOM 1220 O GLY A 75 13.089 -0.097 13.971 1.00 0.00 O ATOM 0 H GLY A 75 12.970 -4.090 12.660 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.267 -2.739 14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.800 -2.203 13.779 1.00 0.00 H new ATOM 1224 N LYS A 76 12.625 -0.932 11.935 1.00 0.00 N ATOM 1225 CA LYS A 76 11.998 0.292 11.455 1.00 0.00 C ATOM 1226 C LYS A 76 10.524 0.059 11.133 1.00 0.00 C ATOM 1227 O LYS A 76 10.187 -0.810 10.329 1.00 0.00 O ATOM 1228 CB LYS A 76 12.727 0.810 10.213 1.00 0.00 C ATOM 1229 CG LYS A 76 12.662 2.319 10.055 1.00 0.00 C ATOM 1230 CD LYS A 76 13.403 2.782 8.811 1.00 0.00 C ATOM 1231 CE LYS A 76 13.370 4.296 8.672 1.00 0.00 C ATOM 1232 NZ LYS A 76 14.578 4.815 7.974 1.00 0.00 N ATOM 0 H LYS A 76 12.644 -1.691 11.253 1.00 0.00 H new ATOM 0 HA LYS A 76 12.065 1.039 12.246 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.772 0.503 10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.297 0.342 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.620 2.635 9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.093 2.797 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.438 2.442 8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.955 2.325 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.477 4.591 8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.298 4.750 9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.518 5.851 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.429 4.556 8.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.633 4.402 7.021 1.00 0.00 H new ATOM 1246 N GLU A 77 9.654 0.841 11.763 1.00 0.00 N ATOM 1247 CA GLU A 77 8.219 0.718 11.542 1.00 0.00 C ATOM 1248 C GLU A 77 7.829 1.276 10.175 1.00 0.00 C ATOM 1249 O GLU A 77 8.045 2.454 9.889 1.00 0.00 O ATOM 1250 CB GLU A 77 7.445 1.449 12.642 1.00 0.00 C ATOM 1251 CG GLU A 77 6.090 0.835 12.944 1.00 0.00 C ATOM 1252 CD GLU A 77 5.161 1.794 13.663 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.657 2.603 14.476 1.00 0.00 O ATOM 1254 OE2 GLU A 77 3.939 1.735 13.415 1.00 0.00 O ATOM 0 H GLU A 77 9.918 1.566 12.430 1.00 0.00 H new ATOM 0 HA GLU A 77 7.963 -0.341 11.570 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.043 1.454 13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.305 2.489 12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.625 0.515 12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.228 -0.057 13.554 1.00 0.00 H new ATOM 1261 N VAL A 78 7.254 0.421 9.336 1.00 0.00 N ATOM 1262 CA VAL A 78 6.834 0.828 8.000 1.00 0.00 C ATOM 1263 C VAL A 78 5.366 1.238 7.986 1.00 0.00 C ATOM 1264 O VAL A 78 4.526 0.601 8.622 1.00 0.00 O ATOM 1265 CB VAL A 78 7.049 -0.302 6.976 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.363 -1.020 7.241 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.883 -1.279 7.008 1.00 0.00 C ATOM 0 H VAL A 78 7.068 -0.557 9.557 1.00 0.00 H new ATOM 0 HA VAL A 78 7.450 1.683 7.722 1.00 0.00 H new ATOM 0 HB VAL A 78 7.097 0.139 5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.498 -1.815 6.508 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.187 -0.311 7.163 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.347 -1.449 8.243 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.052 -2.071 6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.801 -1.715 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.960 -0.752 6.765 1.00 0.00 H new ATOM 1277 N LYS A 79 5.062 2.306 7.258 1.00 0.00 N ATOM 1278 CA LYS A 79 3.694 2.802 7.160 1.00 0.00 C ATOM 1279 C LYS A 79 3.051 2.367 5.847 1.00 0.00 C ATOM 1280 O LYS A 79 3.635 2.527 4.774 1.00 0.00 O ATOM 1281 CB LYS A 79 3.674 4.329 7.268 1.00 0.00 C ATOM 1282 CG LYS A 79 4.412 5.028 6.140 1.00 0.00 C ATOM 1283 CD LYS A 79 4.194 6.531 6.178 1.00 0.00 C ATOM 1284 CE LYS A 79 5.056 7.246 5.149 1.00 0.00 C ATOM 1285 NZ LYS A 79 6.436 7.488 5.653 1.00 0.00 N ATOM 0 H LYS A 79 5.745 2.846 6.726 1.00 0.00 H new ATOM 0 HA LYS A 79 3.120 2.378 7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.639 4.670 7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.118 4.623 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.478 4.812 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.072 4.634 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.143 6.752 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.426 6.908 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.102 6.651 4.237 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.593 8.197 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.916 8.174 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.391 7.866 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.967 6.594 5.655 1.00 0.00 H new ATOM 1299 N VAL A 80 1.844 1.817 5.937 1.00 0.00 N ATOM 1300 CA VAL A 80 1.120 1.362 4.757 1.00 0.00 C ATOM 1301 C VAL A 80 -0.248 2.026 4.660 1.00 0.00 C ATOM 1302 O VAL A 80 -1.028 2.004 5.611 1.00 0.00 O ATOM 1303 CB VAL A 80 0.937 -0.168 4.767 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.284 -0.636 3.475 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.273 -0.863 4.980 1.00 0.00 C ATOM 0 H VAL A 80 1.347 1.676 6.816 1.00 0.00 H new ATOM 0 HA VAL A 80 1.718 1.644 3.891 1.00 0.00 H new ATOM 0 HB VAL A 80 0.280 -0.432 5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.163 -1.719 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.693 -0.164 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.913 -0.361 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.125 -1.943 4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.956 -0.594 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.697 -0.551 5.934 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.533 2.616 3.504 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.809 3.287 3.283 1.00 0.00 C ATOM 1317 C ASN A 81 -2.308 3.052 1.860 1.00 0.00 C ATOM 1318 O ASN A 81 -1.546 2.642 0.984 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.670 4.789 3.545 1.00 0.00 C ATOM 1320 CG ASN A 81 -3.008 5.456 3.801 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -3.785 5.011 4.646 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.283 6.530 3.068 1.00 0.00 N ATOM 0 H ASN A 81 0.102 2.643 2.706 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.537 2.869 3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.018 4.947 4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.189 5.262 2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.168 7.021 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.609 6.863 2.379 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.591 3.314 1.638 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.192 3.131 0.322 1.00 0.00 C ATOM 1331 C TRP A 82 -3.594 4.104 -0.689 1.00 0.00 C ATOM 1332 O TRP A 82 -3.684 5.320 -0.521 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.707 3.323 0.399 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.415 2.195 1.086 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.932 2.200 2.350 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.681 0.895 0.546 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.504 0.981 2.628 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.364 0.164 1.538 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.411 0.280 -0.678 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.777 -1.150 1.341 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.822 -1.026 -0.873 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.500 -1.729 0.132 1.00 0.00 C ATOM 0 H TRP A 82 -4.235 3.654 2.352 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.979 2.115 -0.009 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.922 4.252 0.927 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.104 3.431 -0.610 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.897 3.038 3.031 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.959 0.726 3.505 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.890 0.815 -1.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.298 -1.694 2.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.617 -1.512 -1.815 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.810 -2.747 -0.051 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.985 3.561 -1.738 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.376 4.382 -2.776 1.00 0.00 C ATOM 1355 C ALA A 83 -3.426 4.905 -3.750 1.00 0.00 C ATOM 1356 O ALA A 83 -3.700 4.284 -4.778 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.313 3.587 -3.522 1.00 0.00 C ATOM 0 H ALA A 83 -2.901 2.556 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.904 5.239 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.866 4.213 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.541 3.267 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.770 2.712 -3.983 1.00 0.00 H new