USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 SER OG : rot 101:sc= 1.22 USER MOD Set 1.2: A 38 ASN : amide:sc= -2.6 K(o=-1.4,f=-9.1!) USER MOD Single : A 7 THR OG1 : rot -160:sc= -1 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 177:sc= -5.19! (180deg=-5.47!) USER MOD Single : A 18 CYS SG : rot -160:sc= -0.855 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 148:sc=0.000521 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.44! C(o=-3.4!,f=-5.1!) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 0.581 (180deg=-0.182!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -82:sc= 0.169 USER MOD Single : A 49 HIS : no HD1:sc= -0.472 X(o=-0.47,f=-0.087) USER MOD Single : A 55 THR OG1 : rot 69:sc= -0.775 USER MOD Single : A 56 MET CE :methyl -160:sc= -0.318 (180deg=-0.853) USER MOD Single : A 57 ASN : amide:sc= -0.24 K(o=-0.24,f=-2.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0678 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.516 7.352 10.013 1.00 0.00 N ATOM 102 CA THR A 7 7.055 6.154 9.380 1.00 0.00 C ATOM 103 C THR A 7 5.942 5.310 8.768 1.00 0.00 C ATOM 104 O THR A 7 4.763 5.646 8.879 1.00 0.00 O ATOM 105 CB THR A 7 7.840 5.324 10.397 1.00 0.00 C ATOM 106 OG1 THR A 7 7.007 4.929 11.472 1.00 0.00 O ATOM 107 CG2 THR A 7 9.027 6.060 10.981 1.00 0.00 C ATOM 0 HA THR A 7 7.726 6.468 8.581 1.00 0.00 H new ATOM 0 HB THR A 7 8.206 4.459 9.844 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.561 4.688 12.244 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.540 5.415 11.695 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.714 6.335 10.181 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.683 6.961 11.489 1.00 0.00 H new ATOM 115 N LYS A 8 6.325 4.213 8.122 1.00 0.00 N ATOM 116 CA LYS A 8 5.360 3.319 7.491 1.00 0.00 C ATOM 117 C LYS A 8 4.361 2.785 8.512 1.00 0.00 C ATOM 118 O LYS A 8 3.187 2.586 8.200 1.00 0.00 O ATOM 119 CB LYS A 8 6.084 2.158 6.803 1.00 0.00 C ATOM 120 CG LYS A 8 5.913 2.145 5.293 1.00 0.00 C ATOM 121 CD LYS A 8 6.871 3.112 4.613 1.00 0.00 C ATOM 122 CE LYS A 8 8.014 2.377 3.929 1.00 0.00 C ATOM 123 NZ LYS A 8 9.026 1.891 4.906 1.00 0.00 N ATOM 0 H LYS A 8 7.297 3.922 8.022 1.00 0.00 H new ATOM 0 HA LYS A 8 4.810 3.888 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.147 2.212 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.714 1.217 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.084 1.137 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.887 2.410 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.328 3.707 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.273 3.806 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.617 1.532 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.494 3.041 3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.788 1.396 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.424 2.700 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.575 1.237 5.577 1.00 0.00 H new ATOM 137 N THR A 9 4.834 2.554 9.731 1.00 0.00 N ATOM 138 CA THR A 9 3.982 2.040 10.797 1.00 0.00 C ATOM 139 C THR A 9 3.136 3.154 11.408 1.00 0.00 C ATOM 140 O THR A 9 1.996 2.929 11.810 1.00 0.00 O ATOM 141 CB THR A 9 4.829 1.372 11.882 1.00 0.00 C ATOM 142 OG1 THR A 9 4.004 0.711 12.825 1.00 0.00 O ATOM 143 CG2 THR A 9 5.708 2.342 12.642 1.00 0.00 C ATOM 0 H THR A 9 5.803 2.714 10.006 1.00 0.00 H new ATOM 0 HA THR A 9 3.312 1.298 10.362 1.00 0.00 H new ATOM 0 HB THR A 9 5.470 0.667 11.353 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.563 0.289 13.510 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.281 1.801 13.395 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.392 2.833 11.949 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.085 3.092 13.129 1.00 0.00 H new ATOM 151 N ASP A 10 3.705 4.355 11.478 1.00 0.00 N ATOM 152 CA ASP A 10 3.003 5.503 12.047 1.00 0.00 C ATOM 153 C ASP A 10 1.662 5.728 11.354 1.00 0.00 C ATOM 154 O ASP A 10 0.629 5.855 12.010 1.00 0.00 O ATOM 155 CB ASP A 10 3.865 6.760 11.930 1.00 0.00 C ATOM 156 CG ASP A 10 4.853 6.893 13.073 1.00 0.00 C ATOM 157 OD1 ASP A 10 5.389 5.856 13.517 1.00 0.00 O ATOM 158 OD2 ASP A 10 5.091 8.034 13.522 1.00 0.00 O ATOM 0 H ASP A 10 4.649 4.559 11.148 1.00 0.00 H new ATOM 0 HA ASP A 10 2.813 5.293 13.100 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.408 6.738 10.985 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.220 7.638 11.907 1.00 0.00 H new ATOM 163 N TYR A 11 1.685 5.772 10.027 1.00 0.00 N ATOM 164 CA TYR A 11 0.469 5.977 9.250 1.00 0.00 C ATOM 165 C TYR A 11 -0.357 4.697 9.194 1.00 0.00 C ATOM 166 O TYR A 11 -1.577 4.723 9.349 1.00 0.00 O ATOM 167 CB TYR A 11 0.812 6.443 7.834 1.00 0.00 C ATOM 168 CG TYR A 11 0.706 7.940 7.646 1.00 0.00 C ATOM 169 CD1 TYR A 11 -0.520 8.542 7.392 1.00 0.00 C ATOM 170 CD2 TYR A 11 1.832 8.751 7.722 1.00 0.00 C ATOM 171 CE1 TYR A 11 -0.621 9.909 7.220 1.00 0.00 C ATOM 172 CE2 TYR A 11 1.738 10.119 7.552 1.00 0.00 C ATOM 173 CZ TYR A 11 0.510 10.693 7.301 1.00 0.00 C ATOM 174 OH TYR A 11 0.413 12.056 7.130 1.00 0.00 O ATOM 0 H TYR A 11 2.531 5.669 9.467 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.122 6.750 9.741 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.826 6.126 7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.146 5.949 7.127 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.409 7.931 7.328 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.796 8.305 7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.582 10.361 7.023 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.622 10.736 7.615 1.00 0.00 H new ATOM 0 HH TYR A 11 1.301 12.461 7.219 1.00 0.00 H new ATOM 184 N LEU A 12 0.322 3.576 8.966 1.00 0.00 N ATOM 185 CA LEU A 12 -0.343 2.279 8.884 1.00 0.00 C ATOM 186 C LEU A 12 -1.152 1.992 10.146 1.00 0.00 C ATOM 187 O LEU A 12 -2.308 1.575 10.070 1.00 0.00 O ATOM 188 CB LEU A 12 0.691 1.170 8.658 1.00 0.00 C ATOM 189 CG LEU A 12 0.132 -0.257 8.632 1.00 0.00 C ATOM 190 CD1 LEU A 12 -0.080 -0.776 10.046 1.00 0.00 C ATOM 191 CD2 LEU A 12 -1.167 -0.316 7.840 1.00 0.00 C ATOM 0 H LEU A 12 1.333 3.540 8.835 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.032 2.305 8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.201 1.359 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.443 1.233 9.444 1.00 0.00 H new ATOM 0 HG LEU A 12 0.862 -0.897 8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.477 -1.790 10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.871 -0.780 10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.786 -0.130 10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.544 -1.339 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.904 0.341 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.983 0.007 6.815 1.00 0.00 H new ATOM 203 N MET A 13 -0.540 2.214 11.306 1.00 0.00 N ATOM 204 CA MET A 13 -1.211 1.972 12.579 1.00 0.00 C ATOM 205 C MET A 13 -2.334 2.980 12.806 1.00 0.00 C ATOM 206 O MET A 13 -3.340 2.669 13.444 1.00 0.00 O ATOM 207 CB MET A 13 -0.206 2.033 13.734 1.00 0.00 C ATOM 208 CG MET A 13 0.365 3.423 13.982 1.00 0.00 C ATOM 209 SD MET A 13 -0.052 4.071 15.614 1.00 0.00 S ATOM 210 CE MET A 13 -1.834 3.901 15.603 1.00 0.00 C ATOM 0 H MET A 13 0.416 2.560 11.391 1.00 0.00 H new ATOM 0 HA MET A 13 -1.649 0.974 12.544 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.692 1.683 14.645 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.614 1.346 13.526 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.449 3.389 13.876 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.009 4.106 13.219 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.235 4.211 16.568 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.254 4.528 14.817 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.099 2.860 15.418 1.00 0.00 H new ATOM 220 N ARG A 14 -2.156 4.188 12.281 1.00 0.00 N ATOM 221 CA ARG A 14 -3.156 5.240 12.428 1.00 0.00 C ATOM 222 C ARG A 14 -4.320 5.027 11.464 1.00 0.00 C ATOM 223 O ARG A 14 -5.455 5.403 11.755 1.00 0.00 O ATOM 224 CB ARG A 14 -2.522 6.611 12.186 1.00 0.00 C ATOM 225 CG ARG A 14 -1.946 7.245 13.442 1.00 0.00 C ATOM 226 CD ARG A 14 -1.099 8.464 13.111 1.00 0.00 C ATOM 227 NE ARG A 14 -0.674 9.178 14.313 1.00 0.00 N ATOM 228 CZ ARG A 14 -1.464 9.990 15.011 1.00 0.00 C ATOM 229 NH1 ARG A 14 -2.719 10.194 14.631 1.00 0.00 N ATOM 230 NH2 ARG A 14 -0.998 10.601 16.092 1.00 0.00 N ATOM 0 H ARG A 14 -1.329 4.463 11.750 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.542 5.199 13.447 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.730 6.510 11.444 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.272 7.279 11.763 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.757 7.534 14.110 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.340 6.513 13.975 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.221 8.153 12.545 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.668 9.138 12.471 1.00 0.00 H new ATOM 0 HE ARG A 14 0.285 9.046 14.636 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.083 9.727 13.800 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.320 10.817 15.170 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.034 10.448 16.388 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.604 11.223 16.627 1.00 0.00 H new ATOM 244 N LEU A 15 -4.028 4.424 10.316 1.00 0.00 N ATOM 245 CA LEU A 15 -5.050 4.164 9.308 1.00 0.00 C ATOM 246 C LEU A 15 -6.078 3.158 9.817 1.00 0.00 C ATOM 247 O LEU A 15 -7.284 3.355 9.662 1.00 0.00 O ATOM 248 CB LEU A 15 -4.405 3.644 8.023 1.00 0.00 C ATOM 249 CG LEU A 15 -5.107 4.063 6.729 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.113 4.671 5.750 1.00 0.00 C ATOM 251 CD2 LEU A 15 -5.819 2.875 6.098 1.00 0.00 C ATOM 0 H LEU A 15 -3.093 4.106 10.061 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.563 5.103 9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.372 3.991 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.374 2.555 8.065 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.852 4.820 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.633 4.962 4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.650 5.550 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.343 3.938 5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.312 3.192 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.093 2.095 5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.563 2.485 6.793 1.00 0.00 H new ATOM 263 N ARG A 16 -5.594 2.079 10.425 1.00 0.00 N ATOM 264 CA ARG A 16 -6.470 1.040 10.956 1.00 0.00 C ATOM 265 C ARG A 16 -7.338 1.572 12.096 1.00 0.00 C ATOM 266 O ARG A 16 -8.330 0.948 12.473 1.00 0.00 O ATOM 267 CB ARG A 16 -5.643 -0.151 11.442 1.00 0.00 C ATOM 268 CG ARG A 16 -6.306 -1.495 11.191 1.00 0.00 C ATOM 269 CD ARG A 16 -5.536 -2.627 11.850 1.00 0.00 C ATOM 270 NE ARG A 16 -5.928 -2.814 13.246 1.00 0.00 N ATOM 271 CZ ARG A 16 -5.684 -3.923 13.942 1.00 0.00 C ATOM 272 NH1 ARG A 16 -5.051 -4.944 13.377 1.00 0.00 N ATOM 273 NH2 ARG A 16 -6.075 -4.010 15.206 1.00 0.00 N ATOM 0 H ARG A 16 -4.599 1.901 10.562 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.130 0.716 10.151 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.673 -0.136 10.946 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.456 -0.041 12.510 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.326 -1.476 11.574 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.372 -1.675 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.707 -3.551 11.298 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.468 -2.418 11.798 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.417 -2.051 13.714 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.749 -4.882 12.405 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.867 -5.791 13.915 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.562 -3.228 15.644 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.889 -4.859 15.740 1.00 0.00 H new ATOM 287 N ARG A 17 -6.960 2.725 12.645 1.00 0.00 N ATOM 288 CA ARG A 17 -7.707 3.333 13.743 1.00 0.00 C ATOM 289 C ARG A 17 -9.181 3.500 13.379 1.00 0.00 C ATOM 290 O ARG A 17 -10.051 3.487 14.251 1.00 0.00 O ATOM 291 CB ARG A 17 -7.103 4.691 14.107 1.00 0.00 C ATOM 292 CG ARG A 17 -7.605 5.246 15.431 1.00 0.00 C ATOM 293 CD ARG A 17 -7.038 6.630 15.704 1.00 0.00 C ATOM 294 NE ARG A 17 -7.598 7.639 14.810 1.00 0.00 N ATOM 295 CZ ARG A 17 -8.804 8.180 14.964 1.00 0.00 C ATOM 296 NH1 ARG A 17 -9.582 7.807 15.973 1.00 0.00 N ATOM 297 NH2 ARG A 17 -9.234 9.097 14.107 1.00 0.00 N ATOM 0 H ARG A 17 -6.142 3.256 12.347 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.640 2.668 14.604 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.018 4.597 14.150 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.330 5.404 13.314 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.694 5.294 15.418 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.325 4.571 16.240 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.243 6.908 16.738 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.954 6.606 15.590 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.031 7.948 14.020 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.256 7.103 16.635 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.506 8.225 16.086 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.640 9.387 13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.158 9.512 14.225 1.00 0.00 H new ATOM 311 N CYS A 18 -9.456 3.658 12.087 1.00 0.00 N ATOM 312 CA CYS A 18 -10.825 3.829 11.613 1.00 0.00 C ATOM 313 C CYS A 18 -11.690 2.637 12.009 1.00 0.00 C ATOM 314 O CYS A 18 -11.212 1.688 12.630 1.00 0.00 O ATOM 315 CB CYS A 18 -10.843 4.006 10.094 1.00 0.00 C ATOM 316 SG CYS A 18 -12.068 5.198 9.505 1.00 0.00 S ATOM 0 H CYS A 18 -8.750 3.671 11.351 1.00 0.00 H new ATOM 0 HA CYS A 18 -11.236 4.724 12.080 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.854 4.324 9.764 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.039 3.040 9.629 1.00 0.00 H new ATOM 0 HG CYS A 18 -12.310 4.985 8.246 1.00 0.00 H new ATOM 322 N GLN A 19 -12.968 2.693 11.645 1.00 0.00 N ATOM 323 CA GLN A 19 -13.901 1.619 11.962 1.00 0.00 C ATOM 324 C GLN A 19 -14.100 0.698 10.764 1.00 0.00 C ATOM 325 O GLN A 19 -14.252 -0.515 10.918 1.00 0.00 O ATOM 326 CB GLN A 19 -15.247 2.201 12.401 1.00 0.00 C ATOM 327 CG GLN A 19 -15.874 3.124 11.371 1.00 0.00 C ATOM 328 CD GLN A 19 -17.339 3.400 11.649 1.00 0.00 C ATOM 329 OE1 GLN A 19 -18.223 2.786 11.052 1.00 0.00 O ATOM 330 NE2 GLN A 19 -17.604 4.328 12.561 1.00 0.00 N ATOM 0 H GLN A 19 -13.380 3.471 11.130 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.479 1.034 12.779 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.936 1.383 12.611 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.110 2.750 13.333 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.328 4.067 11.353 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.774 2.679 10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.840 4.813 13.032 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.571 4.556 12.791 1.00 0.00 H new ATOM 339 N THR A 20 -14.098 1.280 9.570 1.00 0.00 N ATOM 340 CA THR A 20 -14.279 0.513 8.343 1.00 0.00 C ATOM 341 C THR A 20 -13.486 1.128 7.196 1.00 0.00 C ATOM 342 O THR A 20 -13.153 2.312 7.225 1.00 0.00 O ATOM 343 CB THR A 20 -15.762 0.447 7.974 1.00 0.00 C ATOM 344 OG1 THR A 20 -15.968 -0.427 6.878 1.00 0.00 O ATOM 345 CG2 THR A 20 -16.349 1.793 7.604 1.00 0.00 C ATOM 0 H THR A 20 -13.973 2.282 9.426 1.00 0.00 H new ATOM 0 HA THR A 20 -13.908 -0.497 8.517 1.00 0.00 H new ATOM 0 HB THR A 20 -16.265 0.083 8.870 1.00 0.00 H new ATOM 0 HG1 THR A 20 -16.923 -0.457 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.403 1.674 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.251 2.477 8.447 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.815 2.199 6.744 1.00 0.00 H new ATOM 353 N ILE A 21 -13.191 0.318 6.184 1.00 0.00 N ATOM 354 CA ILE A 21 -12.441 0.786 5.025 1.00 0.00 C ATOM 355 C ILE A 21 -13.313 1.671 4.136 1.00 0.00 C ATOM 356 O ILE A 21 -12.814 2.571 3.460 1.00 0.00 O ATOM 357 CB ILE A 21 -11.888 -0.398 4.198 1.00 0.00 C ATOM 358 CG1 ILE A 21 -10.794 -1.128 4.982 1.00 0.00 C ATOM 359 CG2 ILE A 21 -11.344 0.082 2.858 1.00 0.00 C ATOM 360 CD1 ILE A 21 -11.290 -1.774 6.258 1.00 0.00 C ATOM 0 H ILE A 21 -13.460 -0.665 6.144 1.00 0.00 H new ATOM 0 HA ILE A 21 -11.600 1.372 5.396 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.707 -1.091 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.352 -1.894 4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.001 -0.421 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.961 -0.769 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.142 0.562 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.539 0.797 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.460 -2.272 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.706 -1.010 6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.062 -2.506 6.019 1.00 0.00 H new ATOM 372 N ASP A 22 -14.618 1.411 4.144 1.00 0.00 N ATOM 373 CA ASP A 22 -15.557 2.187 3.341 1.00 0.00 C ATOM 374 C ASP A 22 -15.439 3.674 3.659 1.00 0.00 C ATOM 375 O ASP A 22 -15.311 4.503 2.758 1.00 0.00 O ATOM 376 CB ASP A 22 -16.988 1.711 3.590 1.00 0.00 C ATOM 377 CG ASP A 22 -17.852 1.799 2.347 1.00 0.00 C ATOM 378 OD1 ASP A 22 -17.789 0.871 1.512 1.00 0.00 O ATOM 379 OD2 ASP A 22 -18.592 2.796 2.208 1.00 0.00 O ATOM 0 H ASP A 22 -15.048 0.670 4.697 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.311 2.037 2.290 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -16.969 0.680 3.943 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.435 2.311 4.383 1.00 0.00 H new ATOM 384 N THR A 23 -15.474 4.003 4.946 1.00 0.00 N ATOM 385 CA THR A 23 -15.361 5.386 5.384 1.00 0.00 C ATOM 386 C THR A 23 -13.908 5.847 5.293 1.00 0.00 C ATOM 387 O THR A 23 -13.632 7.017 5.027 1.00 0.00 O ATOM 388 CB THR A 23 -15.897 5.526 6.815 1.00 0.00 C ATOM 389 OG1 THR A 23 -17.268 5.886 6.800 1.00 0.00 O ATOM 390 CG2 THR A 23 -15.168 6.558 7.650 1.00 0.00 C ATOM 0 H THR A 23 -15.580 3.328 5.704 1.00 0.00 H new ATOM 0 HA THR A 23 -15.959 6.022 4.731 1.00 0.00 H new ATOM 0 HB THR A 23 -15.739 4.548 7.269 1.00 0.00 H new ATOM 0 HG1 THR A 23 -17.594 5.969 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.607 6.596 8.647 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.115 6.286 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.256 7.536 7.178 1.00 0.00 H new ATOM 398 N LEU A 24 -12.986 4.915 5.510 1.00 0.00 N ATOM 399 CA LEU A 24 -11.562 5.221 5.444 1.00 0.00 C ATOM 400 C LEU A 24 -11.164 5.588 4.023 1.00 0.00 C ATOM 401 O LEU A 24 -10.318 6.449 3.806 1.00 0.00 O ATOM 402 CB LEU A 24 -10.736 4.025 5.921 1.00 0.00 C ATOM 403 CG LEU A 24 -9.631 4.368 6.917 1.00 0.00 C ATOM 404 CD1 LEU A 24 -8.981 3.100 7.451 1.00 0.00 C ATOM 405 CD2 LEU A 24 -8.592 5.277 6.273 1.00 0.00 C ATOM 0 H LEU A 24 -13.199 3.943 5.733 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.364 6.070 6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.406 3.298 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.287 3.542 5.053 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.077 4.902 7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.196 3.364 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.732 2.490 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.549 2.537 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.813 5.510 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.149 4.772 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.070 6.200 5.944 1.00 0.00 H new ATOM 417 N GLU A 25 -11.789 4.930 3.058 1.00 0.00 N ATOM 418 CA GLU A 25 -11.499 5.190 1.652 1.00 0.00 C ATOM 419 C GLU A 25 -11.728 6.662 1.330 1.00 0.00 C ATOM 420 O GLU A 25 -11.040 7.244 0.489 1.00 0.00 O ATOM 421 CB GLU A 25 -12.379 4.313 0.759 1.00 0.00 C ATOM 422 CG GLU A 25 -12.025 4.397 -0.717 1.00 0.00 C ATOM 423 CD GLU A 25 -11.419 3.111 -1.246 1.00 0.00 C ATOM 424 OE1 GLU A 25 -10.182 2.959 -1.160 1.00 0.00 O ATOM 425 OE2 GLU A 25 -12.180 2.256 -1.746 1.00 0.00 O ATOM 0 H GLU A 25 -12.498 4.214 3.220 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.454 4.947 1.461 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.294 3.277 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.421 4.605 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.922 4.634 -1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.323 5.216 -0.872 1.00 0.00 H new ATOM 432 N ARG A 26 -12.687 7.264 2.025 1.00 0.00 N ATOM 433 CA ARG A 26 -12.996 8.671 1.834 1.00 0.00 C ATOM 434 C ARG A 26 -11.824 9.535 2.290 1.00 0.00 C ATOM 435 O ARG A 26 -11.504 10.549 1.667 1.00 0.00 O ATOM 436 CB ARG A 26 -14.263 9.045 2.608 1.00 0.00 C ATOM 437 CG ARG A 26 -14.625 10.519 2.516 1.00 0.00 C ATOM 438 CD ARG A 26 -16.103 10.713 2.211 1.00 0.00 C ATOM 439 NE ARG A 26 -16.421 12.105 1.899 1.00 0.00 N ATOM 440 CZ ARG A 26 -16.588 13.052 2.819 1.00 0.00 C ATOM 441 NH1 ARG A 26 -16.463 12.764 4.109 1.00 0.00 N ATOM 442 NH2 ARG A 26 -16.878 14.292 2.448 1.00 0.00 N ATOM 0 H ARG A 26 -13.263 6.797 2.726 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.170 8.850 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.096 8.452 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.129 8.778 3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.378 11.014 3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.027 10.994 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.386 10.080 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.695 10.389 3.067 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.521 12.366 0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.238 11.813 4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.592 13.494 4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.973 14.519 1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.006 15.018 3.153 1.00 0.00 H new ATOM 456 N VAL A 27 -11.176 9.120 3.378 1.00 0.00 N ATOM 457 CA VAL A 27 -10.036 9.858 3.904 1.00 0.00 C ATOM 458 C VAL A 27 -8.795 9.628 3.046 1.00 0.00 C ATOM 459 O VAL A 27 -7.912 10.483 2.977 1.00 0.00 O ATOM 460 CB VAL A 27 -9.730 9.495 5.376 1.00 0.00 C ATOM 461 CG1 VAL A 27 -9.154 8.092 5.506 1.00 0.00 C ATOM 462 CG2 VAL A 27 -8.785 10.522 5.977 1.00 0.00 C ATOM 0 H VAL A 27 -11.421 8.283 3.907 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.306 10.913 3.870 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.670 9.508 5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.953 7.877 6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.870 7.367 5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.226 8.026 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.574 10.260 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.854 10.536 5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.248 11.508 5.939 1.00 0.00 H new ATOM 472 N ILE A 28 -8.738 8.474 2.382 1.00 0.00 N ATOM 473 CA ILE A 28 -7.607 8.154 1.522 1.00 0.00 C ATOM 474 C ILE A 28 -7.464 9.207 0.432 1.00 0.00 C ATOM 475 O ILE A 28 -6.360 9.652 0.122 1.00 0.00 O ATOM 476 CB ILE A 28 -7.756 6.765 0.860 1.00 0.00 C ATOM 477 CG1 ILE A 28 -7.986 5.683 1.918 1.00 0.00 C ATOM 478 CG2 ILE A 28 -6.528 6.436 0.022 1.00 0.00 C ATOM 479 CD1 ILE A 28 -6.949 5.675 3.021 1.00 0.00 C ATOM 0 H ILE A 28 -9.457 7.752 2.424 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.719 8.139 2.153 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.625 6.793 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.972 5.825 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.992 4.708 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.652 5.455 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.408 7.188 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.644 6.430 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.180 4.881 3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.962 5.502 2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.957 6.636 3.535 1.00 0.00 H new ATOM 491 N GLU A 29 -8.595 9.607 -0.137 1.00 0.00 N ATOM 492 CA GLU A 29 -8.604 10.617 -1.187 1.00 0.00 C ATOM 493 C GLU A 29 -8.166 11.967 -0.632 1.00 0.00 C ATOM 494 O GLU A 29 -7.349 12.663 -1.233 1.00 0.00 O ATOM 495 CB GLU A 29 -10.000 10.730 -1.805 1.00 0.00 C ATOM 496 CG GLU A 29 -9.986 10.868 -3.318 1.00 0.00 C ATOM 497 CD GLU A 29 -9.835 12.308 -3.771 1.00 0.00 C ATOM 498 OE1 GLU A 29 -8.868 12.968 -3.338 1.00 0.00 O ATOM 499 OE2 GLU A 29 -10.685 12.774 -4.558 1.00 0.00 O ATOM 0 H GLU A 29 -9.517 9.247 0.111 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.900 10.314 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.581 9.848 -1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.510 11.592 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.167 10.275 -3.726 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.910 10.458 -3.725 1.00 0.00 H new ATOM 506 N LYS A 30 -8.714 12.329 0.525 1.00 0.00 N ATOM 507 CA LYS A 30 -8.375 13.595 1.166 1.00 0.00 C ATOM 508 C LYS A 30 -6.884 13.660 1.483 1.00 0.00 C ATOM 509 O LYS A 30 -6.224 14.663 1.211 1.00 0.00 O ATOM 510 CB LYS A 30 -9.190 13.778 2.446 1.00 0.00 C ATOM 511 CG LYS A 30 -9.519 15.230 2.756 1.00 0.00 C ATOM 512 CD LYS A 30 -8.314 15.968 3.320 1.00 0.00 C ATOM 513 CE LYS A 30 -8.544 16.396 4.760 1.00 0.00 C ATOM 514 NZ LYS A 30 -7.283 16.384 5.552 1.00 0.00 N ATOM 0 H LYS A 30 -9.393 11.765 1.036 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.617 14.401 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.119 13.214 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.636 13.353 3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.860 15.728 1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.341 15.273 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.435 15.325 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.105 16.845 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.973 17.398 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.271 15.730 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.320 17.131 6.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.173 15.459 6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.475 16.554 4.920 1.00 0.00 H new ATOM 528 N ASN A 31 -6.359 12.583 2.059 1.00 0.00 N ATOM 529 CA ASN A 31 -4.945 12.515 2.412 1.00 0.00 C ATOM 530 C ASN A 31 -4.082 12.300 1.173 1.00 0.00 C ATOM 531 O ASN A 31 -2.941 12.758 1.111 1.00 0.00 O ATOM 532 CB ASN A 31 -4.698 11.392 3.421 1.00 0.00 C ATOM 533 CG ASN A 31 -3.539 11.697 4.350 1.00 0.00 C ATOM 534 OD1 ASN A 31 -2.377 11.647 3.948 1.00 0.00 O ATOM 535 ND2 ASN A 31 -3.850 12.016 5.600 1.00 0.00 N ATOM 0 H ASN A 31 -6.892 11.745 2.291 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.667 13.467 2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.601 11.231 4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.497 10.464 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.112 12.232 6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.827 12.045 5.891 1.00 0.00 H new ATOM 542 N LYS A 32 -4.635 11.599 0.188 1.00 0.00 N ATOM 543 CA LYS A 32 -3.918 11.321 -1.051 1.00 0.00 C ATOM 544 C LYS A 32 -3.494 12.620 -1.733 1.00 0.00 C ATOM 545 O LYS A 32 -2.471 12.670 -2.414 1.00 0.00 O ATOM 546 CB LYS A 32 -4.799 10.489 -1.990 1.00 0.00 C ATOM 547 CG LYS A 32 -4.205 10.268 -3.374 1.00 0.00 C ATOM 548 CD LYS A 32 -3.634 8.868 -3.519 1.00 0.00 C ATOM 549 CE LYS A 32 -3.519 8.461 -4.980 1.00 0.00 C ATOM 550 NZ LYS A 32 -2.598 7.306 -5.169 1.00 0.00 N ATOM 0 H LYS A 32 -5.578 11.213 0.224 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.019 10.753 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.987 9.519 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.765 10.984 -2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.973 10.429 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.420 11.002 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.651 8.824 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.271 8.158 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.506 8.203 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.162 9.309 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.932 6.721 -5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.641 7.656 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.577 6.733 -4.301 1.00 0.00 H new ATOM 564 N TYR A 33 -4.285 13.671 -1.539 1.00 0.00 N ATOM 565 CA TYR A 33 -3.989 14.971 -2.129 1.00 0.00 C ATOM 566 C TYR A 33 -3.482 15.957 -1.076 1.00 0.00 C ATOM 567 O TYR A 33 -3.071 17.070 -1.406 1.00 0.00 O ATOM 568 CB TYR A 33 -5.233 15.537 -2.815 1.00 0.00 C ATOM 569 CG TYR A 33 -4.940 16.694 -3.744 1.00 0.00 C ATOM 570 CD1 TYR A 33 -4.080 16.541 -4.825 1.00 0.00 C ATOM 571 CD2 TYR A 33 -5.521 17.939 -3.539 1.00 0.00 C ATOM 572 CE1 TYR A 33 -3.809 17.597 -5.676 1.00 0.00 C ATOM 573 CE2 TYR A 33 -5.256 18.999 -4.385 1.00 0.00 C ATOM 574 CZ TYR A 33 -4.400 18.822 -5.451 1.00 0.00 C ATOM 575 OH TYR A 33 -4.133 19.875 -6.296 1.00 0.00 O ATOM 0 H TYR A 33 -5.136 13.647 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.202 14.829 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.719 14.742 -3.381 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.940 15.864 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.616 15.582 -5.003 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.191 18.081 -2.704 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.138 17.463 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.717 19.960 -4.212 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.629 20.666 -5.999 1.00 0.00 H new ATOM 585 N GLU A 34 -3.516 15.549 0.191 1.00 0.00 N ATOM 586 CA GLU A 34 -3.065 16.406 1.281 1.00 0.00 C ATOM 587 C GLU A 34 -1.543 16.528 1.295 1.00 0.00 C ATOM 588 O GLU A 34 -0.997 17.593 1.013 1.00 0.00 O ATOM 589 CB GLU A 34 -3.558 15.862 2.625 1.00 0.00 C ATOM 590 CG GLU A 34 -3.720 16.933 3.690 1.00 0.00 C ATOM 591 CD GLU A 34 -3.443 16.413 5.087 1.00 0.00 C ATOM 592 OE1 GLU A 34 -2.346 15.858 5.307 1.00 0.00 O ATOM 593 OE2 GLU A 34 -4.322 16.560 5.961 1.00 0.00 O ATOM 0 H GLU A 34 -3.851 14.632 0.486 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.485 17.399 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.515 15.361 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.856 15.109 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.044 17.760 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.734 17.331 3.649 1.00 0.00 H new ATOM 600 N LEU A 35 -0.862 15.434 1.630 1.00 0.00 N ATOM 601 CA LEU A 35 0.597 15.436 1.681 1.00 0.00 C ATOM 602 C LEU A 35 1.205 15.475 0.285 1.00 0.00 C ATOM 603 O LEU A 35 0.572 15.916 -0.674 1.00 0.00 O ATOM 604 CB LEU A 35 1.123 14.215 2.460 1.00 0.00 C ATOM 605 CG LEU A 35 1.155 12.856 1.730 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.635 11.768 2.645 1.00 0.00 C ATOM 607 CD2 LEU A 35 0.361 12.858 0.433 1.00 0.00 C ATOM 0 H LEU A 35 -1.294 14.541 1.868 1.00 0.00 H new ATOM 0 HA LEU A 35 0.902 16.341 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.136 14.441 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.512 14.100 3.355 1.00 0.00 H new ATOM 0 HG LEU A 35 2.195 12.664 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.660 10.811 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.260 11.712 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.391 11.996 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.422 11.874 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.682 13.095 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.772 13.606 -0.244 1.00 0.00 H new ATOM 619 N SER A 36 2.436 14.996 0.188 1.00 0.00 N ATOM 620 CA SER A 36 3.150 14.951 -1.077 1.00 0.00 C ATOM 621 C SER A 36 3.485 13.512 -1.440 1.00 0.00 C ATOM 622 O SER A 36 3.137 12.581 -0.713 1.00 0.00 O ATOM 623 CB SER A 36 4.431 15.788 -1.001 1.00 0.00 C ATOM 624 OG SER A 36 4.613 16.333 0.294 1.00 0.00 O ATOM 0 H SER A 36 2.965 14.630 0.980 1.00 0.00 H new ATOM 0 HA SER A 36 2.508 15.370 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.289 15.168 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.386 16.593 -1.734 1.00 0.00 H new ATOM 0 HG SER A 36 5.274 15.800 0.783 1.00 0.00 H new ATOM 630 N ASP A 37 4.172 13.334 -2.557 1.00 0.00 N ATOM 631 CA ASP A 37 4.562 12.007 -3.006 1.00 0.00 C ATOM 632 C ASP A 37 5.445 11.319 -1.967 1.00 0.00 C ATOM 633 O ASP A 37 5.526 10.091 -1.925 1.00 0.00 O ATOM 634 CB ASP A 37 5.302 12.096 -4.342 1.00 0.00 C ATOM 635 CG ASP A 37 4.384 11.862 -5.527 1.00 0.00 C ATOM 636 OD1 ASP A 37 3.768 12.839 -6.004 1.00 0.00 O ATOM 637 OD2 ASP A 37 4.283 10.703 -5.980 1.00 0.00 O ATOM 0 H ASP A 37 4.471 14.092 -3.170 1.00 0.00 H new ATOM 0 HA ASP A 37 3.657 11.414 -3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.765 13.078 -4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.107 11.361 -4.358 1.00 0.00 H new ATOM 642 N ASN A 38 6.127 12.117 -1.145 1.00 0.00 N ATOM 643 CA ASN A 38 7.024 11.575 -0.130 1.00 0.00 C ATOM 644 C ASN A 38 6.271 10.934 1.036 1.00 0.00 C ATOM 645 O ASN A 38 6.587 9.812 1.433 1.00 0.00 O ATOM 646 CB ASN A 38 7.949 12.675 0.394 1.00 0.00 C ATOM 647 CG ASN A 38 7.197 13.759 1.142 1.00 0.00 C ATOM 648 OD1 ASN A 38 6.248 14.345 0.622 1.00 0.00 O ATOM 649 ND2 ASN A 38 7.620 14.032 2.371 1.00 0.00 N ATOM 0 H ASN A 38 6.075 13.135 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 38 7.611 10.791 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.695 12.233 1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.487 13.122 -0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.154 14.752 2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.411 13.521 2.763 1.00 0.00 H new ATOM 656 N GLU A 39 5.278 11.629 1.583 1.00 0.00 N ATOM 657 CA GLU A 39 4.510 11.081 2.694 1.00 0.00 C ATOM 658 C GLU A 39 3.464 10.094 2.186 1.00 0.00 C ATOM 659 O GLU A 39 3.097 9.147 2.881 1.00 0.00 O ATOM 660 CB GLU A 39 3.852 12.190 3.525 1.00 0.00 C ATOM 661 CG GLU A 39 4.370 13.588 3.225 1.00 0.00 C ATOM 662 CD GLU A 39 4.045 14.580 4.324 1.00 0.00 C ATOM 663 OE1 GLU A 39 4.212 14.227 5.510 1.00 0.00 O ATOM 664 OE2 GLU A 39 3.622 15.709 3.998 1.00 0.00 O ATOM 0 H GLU A 39 4.990 12.559 1.280 1.00 0.00 H new ATOM 0 HA GLU A 39 5.202 10.549 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.776 12.169 3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.008 11.977 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.450 13.548 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.939 13.937 2.287 1.00 0.00 H new ATOM 671 N LEU A 40 2.988 10.328 0.966 1.00 0.00 N ATOM 672 CA LEU A 40 1.982 9.467 0.355 1.00 0.00 C ATOM 673 C LEU A 40 2.475 8.032 0.264 1.00 0.00 C ATOM 674 O LEU A 40 1.696 7.093 0.413 1.00 0.00 O ATOM 675 CB LEU A 40 1.614 9.981 -1.032 1.00 0.00 C ATOM 676 CG LEU A 40 0.518 9.189 -1.750 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.461 10.132 -2.431 1.00 0.00 C ATOM 678 CD2 LEU A 40 1.128 8.229 -2.760 1.00 0.00 C ATOM 0 H LEU A 40 3.284 11.109 0.381 1.00 0.00 H new ATOM 0 HA LEU A 40 1.095 9.486 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.292 11.019 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.510 9.977 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.027 8.605 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.233 9.552 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.923 10.778 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.070 10.743 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.334 7.675 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.699 8.792 -3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.789 7.531 -2.246 1.00 0.00 H new ATOM 690 N ALA A 41 3.773 7.862 0.036 1.00 0.00 N ATOM 691 CA ALA A 41 4.347 6.527 -0.047 1.00 0.00 C ATOM 692 C ALA A 41 4.024 5.762 1.225 1.00 0.00 C ATOM 693 O ALA A 41 3.750 4.563 1.199 1.00 0.00 O ATOM 694 CB ALA A 41 5.851 6.604 -0.264 1.00 0.00 C ATOM 0 H ALA A 41 4.440 8.623 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 41 3.915 6.001 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.262 5.596 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.058 7.136 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.312 7.135 0.569 1.00 0.00 H new ATOM 700 N VAL A 42 4.032 6.487 2.338 1.00 0.00 N ATOM 701 CA VAL A 42 3.713 5.912 3.632 1.00 0.00 C ATOM 702 C VAL A 42 2.206 5.726 3.773 1.00 0.00 C ATOM 703 O VAL A 42 1.746 4.808 4.453 1.00 0.00 O ATOM 704 CB VAL A 42 4.223 6.799 4.784 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.971 6.135 6.131 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.701 7.109 4.603 1.00 0.00 C ATOM 0 H VAL A 42 4.258 7.481 2.366 1.00 0.00 H new ATOM 0 HA VAL A 42 4.211 4.944 3.690 1.00 0.00 H new ATOM 0 HB VAL A 42 3.670 7.738 4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.339 6.780 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.901 5.971 6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.492 5.178 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.045 7.736 5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.269 6.179 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.850 7.634 3.659 1.00 0.00 H new ATOM 716 N PHE A 43 1.437 6.605 3.128 1.00 0.00 N ATOM 717 CA PHE A 43 -0.017 6.527 3.194 1.00 0.00 C ATOM 718 C PHE A 43 -0.548 5.398 2.315 1.00 0.00 C ATOM 719 O PHE A 43 -1.375 4.597 2.750 1.00 0.00 O ATOM 720 CB PHE A 43 -0.641 7.858 2.772 1.00 0.00 C ATOM 721 CG PHE A 43 -2.095 7.968 3.123 1.00 0.00 C ATOM 722 CD1 PHE A 43 -3.060 7.399 2.310 1.00 0.00 C ATOM 723 CD2 PHE A 43 -2.497 8.636 4.269 1.00 0.00 C ATOM 724 CE1 PHE A 43 -4.399 7.495 2.631 1.00 0.00 C ATOM 725 CE2 PHE A 43 -3.835 8.735 4.595 1.00 0.00 C ATOM 726 CZ PHE A 43 -4.788 8.163 3.775 1.00 0.00 C ATOM 0 H PHE A 43 1.796 7.372 2.559 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.295 6.315 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.097 8.674 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.524 7.981 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.762 6.874 1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.756 9.084 4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.142 7.048 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.136 9.259 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.835 8.238 4.028 1.00 0.00 H new ATOM 736 N TYR A 44 -0.069 5.341 1.076 1.00 0.00 N ATOM 737 CA TYR A 44 -0.497 4.311 0.137 1.00 0.00 C ATOM 738 C TYR A 44 -0.219 2.918 0.691 1.00 0.00 C ATOM 739 O TYR A 44 -1.083 2.042 0.661 1.00 0.00 O ATOM 740 CB TYR A 44 0.211 4.490 -1.207 1.00 0.00 C ATOM 741 CG TYR A 44 -0.624 4.064 -2.394 1.00 0.00 C ATOM 742 CD1 TYR A 44 -1.672 4.853 -2.849 1.00 0.00 C ATOM 743 CD2 TYR A 44 -0.363 2.872 -3.058 1.00 0.00 C ATOM 744 CE1 TYR A 44 -2.438 4.466 -3.933 1.00 0.00 C ATOM 745 CE2 TYR A 44 -1.125 2.478 -4.143 1.00 0.00 C ATOM 746 CZ TYR A 44 -2.161 3.278 -4.575 1.00 0.00 C ATOM 747 OH TYR A 44 -2.922 2.891 -5.655 1.00 0.00 O ATOM 0 H TYR A 44 0.616 5.996 0.699 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.572 4.414 -0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.488 5.538 -1.326 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.137 3.915 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.892 5.784 -2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.448 2.243 -2.722 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.249 5.091 -4.275 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.909 1.549 -4.649 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.596 2.031 -5.993 1.00 0.00 H new ATOM 757 N SER A 45 0.994 2.720 1.198 1.00 0.00 N ATOM 758 CA SER A 45 1.387 1.434 1.761 1.00 0.00 C ATOM 759 C SER A 45 0.484 1.053 2.930 1.00 0.00 C ATOM 760 O SER A 45 0.175 -0.121 3.132 1.00 0.00 O ATOM 761 CB SER A 45 2.845 1.476 2.221 1.00 0.00 C ATOM 762 OG SER A 45 3.028 2.433 3.251 1.00 0.00 O ATOM 0 H SER A 45 1.721 3.434 1.230 1.00 0.00 H new ATOM 0 HA SER A 45 1.282 0.679 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.145 0.491 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.489 1.719 1.376 1.00 0.00 H new ATOM 0 HG SER A 45 3.131 3.324 2.855 1.00 0.00 H new ATOM 768 N ALA A 46 0.066 2.054 3.698 1.00 0.00 N ATOM 769 CA ALA A 46 -0.799 1.823 4.848 1.00 0.00 C ATOM 770 C ALA A 46 -2.182 1.351 4.411 1.00 0.00 C ATOM 771 O ALA A 46 -2.758 0.445 5.011 1.00 0.00 O ATOM 772 CB ALA A 46 -0.912 3.089 5.683 1.00 0.00 C ATOM 0 H ALA A 46 0.312 3.032 3.545 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.352 1.036 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.561 2.904 6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.077 3.383 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.334 3.889 5.075 1.00 0.00 H new ATOM 778 N ALA A 47 -2.707 1.974 3.363 1.00 0.00 N ATOM 779 CA ALA A 47 -4.022 1.622 2.843 1.00 0.00 C ATOM 780 C ALA A 47 -3.955 0.366 1.982 1.00 0.00 C ATOM 781 O ALA A 47 -4.888 -0.436 1.964 1.00 0.00 O ATOM 782 CB ALA A 47 -4.600 2.780 2.043 1.00 0.00 C ATOM 0 H ALA A 47 -2.241 2.727 2.856 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.676 1.416 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.582 2.503 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.694 3.655 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.938 3.012 1.209 1.00 0.00 H new ATOM 788 N ASP A 48 -2.845 0.199 1.270 1.00 0.00 N ATOM 789 CA ASP A 48 -2.658 -0.960 0.407 1.00 0.00 C ATOM 790 C ASP A 48 -2.654 -2.251 1.220 1.00 0.00 C ATOM 791 O ASP A 48 -3.374 -3.198 0.904 1.00 0.00 O ATOM 792 CB ASP A 48 -1.350 -0.832 -0.377 1.00 0.00 C ATOM 793 CG ASP A 48 -1.556 -0.211 -1.745 1.00 0.00 C ATOM 794 OD1 ASP A 48 -2.479 0.617 -1.888 1.00 0.00 O ATOM 795 OD2 ASP A 48 -0.792 -0.552 -2.673 1.00 0.00 O ATOM 0 H ASP A 48 -2.062 0.852 1.274 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.492 -0.998 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.646 -0.225 0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.900 -1.818 -0.492 1.00 0.00 H new ATOM 800 N HIS A 49 -1.840 -2.281 2.271 1.00 0.00 N ATOM 801 CA HIS A 49 -1.745 -3.455 3.131 1.00 0.00 C ATOM 802 C HIS A 49 -3.095 -3.772 3.764 1.00 0.00 C ATOM 803 O HIS A 49 -3.519 -4.928 3.798 1.00 0.00 O ATOM 804 CB HIS A 49 -0.695 -3.232 4.221 1.00 0.00 C ATOM 805 CG HIS A 49 0.666 -3.735 3.852 1.00 0.00 C ATOM 806 ND1 HIS A 49 1.738 -3.713 4.720 1.00 0.00 N ATOM 807 CD2 HIS A 49 1.129 -4.278 2.701 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.800 -4.218 4.118 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.456 -4.570 2.893 1.00 0.00 N ATOM 0 H HIS A 49 -1.237 -1.506 2.547 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.443 -4.303 2.517 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.632 -2.166 4.441 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.021 -3.728 5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.560 -4.449 1.799 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.782 -4.325 4.554 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.076 -4.991 2.201 1.00 0.00 H new ATOM 818 N ARG A 50 -3.767 -2.740 4.262 1.00 0.00 N ATOM 819 CA ARG A 50 -5.071 -2.910 4.890 1.00 0.00 C ATOM 820 C ARG A 50 -6.070 -3.504 3.903 1.00 0.00 C ATOM 821 O ARG A 50 -6.869 -4.372 4.257 1.00 0.00 O ATOM 822 CB ARG A 50 -5.588 -1.568 5.413 1.00 0.00 C ATOM 823 CG ARG A 50 -6.853 -1.688 6.248 1.00 0.00 C ATOM 824 CD ARG A 50 -6.549 -2.201 7.646 1.00 0.00 C ATOM 825 NE ARG A 50 -7.768 -2.470 8.407 1.00 0.00 N ATOM 826 CZ ARG A 50 -8.506 -3.568 8.259 1.00 0.00 C ATOM 827 NH1 ARG A 50 -8.155 -4.499 7.381 1.00 0.00 N ATOM 828 NH2 ARG A 50 -9.599 -3.735 8.991 1.00 0.00 N ATOM 0 H ARG A 50 -3.430 -1.777 4.243 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.959 -3.598 5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.810 -1.097 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.782 -0.908 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -7.341 -0.715 6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.553 -2.363 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.956 -3.113 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.944 -1.467 8.178 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.070 -1.776 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.316 -4.376 6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.725 -5.338 7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.874 -3.022 9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.165 -4.576 8.878 1.00 0.00 H new ATOM 842 N LEU A 51 -6.014 -3.034 2.663 1.00 0.00 N ATOM 843 CA LEU A 51 -6.908 -3.520 1.619 1.00 0.00 C ATOM 844 C LEU A 51 -6.499 -4.917 1.163 1.00 0.00 C ATOM 845 O LEU A 51 -7.346 -5.775 0.917 1.00 0.00 O ATOM 846 CB LEU A 51 -6.907 -2.555 0.430 1.00 0.00 C ATOM 847 CG LEU A 51 -8.295 -2.179 -0.097 1.00 0.00 C ATOM 848 CD1 LEU A 51 -8.552 -0.690 0.083 1.00 0.00 C ATOM 849 CD2 LEU A 51 -8.436 -2.572 -1.561 1.00 0.00 C ATOM 0 H LEU A 51 -5.358 -2.316 2.355 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.916 -3.575 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.386 -1.643 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.335 -3.003 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.040 -2.728 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.543 -0.443 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.496 -0.437 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.801 -0.122 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.429 -2.297 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.681 -2.052 -2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.299 -3.648 -1.664 1.00 0.00 H new ATOM 861 N ALA A 52 -5.191 -5.137 1.056 1.00 0.00 N ATOM 862 CA ALA A 52 -4.665 -6.429 0.632 1.00 0.00 C ATOM 863 C ALA A 52 -5.111 -7.541 1.576 1.00 0.00 C ATOM 864 O ALA A 52 -5.628 -8.569 1.139 1.00 0.00 O ATOM 865 CB ALA A 52 -3.145 -6.377 0.556 1.00 0.00 C ATOM 0 H ALA A 52 -4.477 -4.437 1.257 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.063 -6.649 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.763 -7.347 0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.842 -5.615 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.740 -6.131 1.538 1.00 0.00 H new ATOM 871 N GLU A 53 -4.905 -7.328 2.871 1.00 0.00 N ATOM 872 CA GLU A 53 -5.284 -8.314 3.877 1.00 0.00 C ATOM 873 C GLU A 53 -6.797 -8.500 3.928 1.00 0.00 C ATOM 874 O GLU A 53 -7.285 -9.564 4.305 1.00 0.00 O ATOM 875 CB GLU A 53 -4.757 -7.911 5.256 1.00 0.00 C ATOM 876 CG GLU A 53 -5.102 -6.485 5.654 1.00 0.00 C ATOM 877 CD GLU A 53 -3.955 -5.783 6.354 1.00 0.00 C ATOM 878 OE1 GLU A 53 -2.792 -6.007 5.958 1.00 0.00 O ATOM 879 OE2 GLU A 53 -4.219 -5.009 7.297 1.00 0.00 O ATOM 0 H GLU A 53 -4.478 -6.482 3.249 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.833 -9.265 3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.161 -8.594 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.674 -8.030 5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.380 -5.920 4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.972 -6.495 6.310 1.00 0.00 H new ATOM 886 N LEU A 54 -7.535 -7.464 3.549 1.00 0.00 N ATOM 887 CA LEU A 54 -8.990 -7.529 3.556 1.00 0.00 C ATOM 888 C LEU A 54 -9.497 -8.514 2.505 1.00 0.00 C ATOM 889 O LEU A 54 -10.561 -9.111 2.662 1.00 0.00 O ATOM 890 CB LEU A 54 -9.584 -6.142 3.298 1.00 0.00 C ATOM 891 CG LEU A 54 -10.849 -5.821 4.096 1.00 0.00 C ATOM 892 CD1 LEU A 54 -10.515 -5.620 5.567 1.00 0.00 C ATOM 893 CD2 LEU A 54 -11.537 -4.587 3.531 1.00 0.00 C ATOM 0 H LEU A 54 -7.152 -6.573 3.234 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.308 -7.878 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.828 -5.391 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.810 -6.052 2.236 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.533 -6.665 4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.427 -5.392 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.067 -6.530 5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.812 -4.793 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.435 -4.373 4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.859 -3.735 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.811 -4.767 2.491 1.00 0.00 H new ATOM 905 N THR A 55 -8.728 -8.675 1.431 1.00 0.00 N ATOM 906 CA THR A 55 -9.103 -9.581 0.350 1.00 0.00 C ATOM 907 C THR A 55 -8.716 -11.025 0.664 1.00 0.00 C ATOM 908 O THR A 55 -9.487 -11.950 0.407 1.00 0.00 O ATOM 909 CB THR A 55 -8.441 -9.142 -0.957 1.00 0.00 C ATOM 910 OG1 THR A 55 -8.773 -7.798 -1.259 1.00 0.00 O ATOM 911 CG2 THR A 55 -8.839 -9.990 -2.145 1.00 0.00 C ATOM 0 H THR A 55 -7.842 -8.190 1.287 1.00 0.00 H new ATOM 0 HA THR A 55 -10.187 -9.538 0.245 1.00 0.00 H new ATOM 0 HB THR A 55 -7.370 -9.258 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.347 -7.202 -0.608 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.334 -9.624 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.553 -11.026 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.918 -9.932 -2.289 1.00 0.00 H new ATOM 919 N MET A 56 -7.517 -11.217 1.206 1.00 0.00 N ATOM 920 CA MET A 56 -7.036 -12.558 1.536 1.00 0.00 C ATOM 921 C MET A 56 -7.220 -12.881 3.020 1.00 0.00 C ATOM 922 O MET A 56 -6.777 -13.928 3.491 1.00 0.00 O ATOM 923 CB MET A 56 -5.563 -12.699 1.153 1.00 0.00 C ATOM 924 CG MET A 56 -5.247 -13.995 0.424 1.00 0.00 C ATOM 925 SD MET A 56 -4.269 -13.737 -1.069 1.00 0.00 S ATOM 926 CE MET A 56 -5.465 -14.155 -2.334 1.00 0.00 C ATOM 0 H MET A 56 -6.862 -10.466 1.426 1.00 0.00 H new ATOM 0 HA MET A 56 -7.632 -13.269 0.964 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.278 -11.857 0.522 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.954 -12.641 2.055 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.707 -14.662 1.096 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.179 -14.495 0.160 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.945 -14.391 -3.263 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.046 -15.020 -2.014 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.133 -13.309 -2.497 1.00 0.00 H new ATOM 936 N ASN A 57 -7.878 -11.986 3.751 1.00 0.00 N ATOM 937 CA ASN A 57 -8.123 -12.187 5.178 1.00 0.00 C ATOM 938 C ASN A 57 -6.842 -12.033 5.998 1.00 0.00 C ATOM 939 O ASN A 57 -6.006 -12.935 6.041 1.00 0.00 O ATOM 940 CB ASN A 57 -8.738 -13.568 5.425 1.00 0.00 C ATOM 941 CG ASN A 57 -9.856 -13.529 6.448 1.00 0.00 C ATOM 942 OD1 ASN A 57 -10.214 -12.465 6.953 1.00 0.00 O ATOM 943 ND2 ASN A 57 -10.414 -14.693 6.759 1.00 0.00 N ATOM 0 H ASN A 57 -8.252 -11.113 3.379 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.824 -11.417 5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.123 -13.964 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.961 -14.253 5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.171 -14.729 7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.085 -15.551 6.316 1.00 0.00 H new ATOM 950 N LYS A 58 -6.713 -10.885 6.659 1.00 0.00 N ATOM 951 CA LYS A 58 -5.554 -10.590 7.503 1.00 0.00 C ATOM 952 C LYS A 58 -4.238 -11.024 6.861 1.00 0.00 C ATOM 953 O LYS A 58 -3.350 -11.543 7.537 1.00 0.00 O ATOM 954 CB LYS A 58 -5.708 -11.266 8.866 1.00 0.00 C ATOM 955 CG LYS A 58 -6.612 -10.506 9.823 1.00 0.00 C ATOM 956 CD LYS A 58 -5.833 -9.470 10.619 1.00 0.00 C ATOM 957 CE LYS A 58 -5.346 -8.335 9.734 1.00 0.00 C ATOM 958 NZ LYS A 58 -4.923 -7.150 10.532 1.00 0.00 N ATOM 0 H LYS A 58 -7.404 -10.136 6.626 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.518 -9.508 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.108 -12.270 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.724 -11.377 9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.406 -10.014 9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.092 -11.207 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.465 -9.069 11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.980 -9.947 11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.509 -8.681 9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.140 -8.045 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.598 -6.398 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.728 -6.803 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.148 -7.420 11.170 1.00 0.00 H new ATOM 972 N LEU A 59 -4.112 -10.806 5.560 1.00 0.00 N ATOM 973 CA LEU A 59 -2.895 -11.173 4.844 1.00 0.00 C ATOM 974 C LEU A 59 -2.150 -9.929 4.358 1.00 0.00 C ATOM 975 O LEU A 59 -2.689 -9.122 3.603 1.00 0.00 O ATOM 976 CB LEU A 59 -3.227 -12.089 3.664 1.00 0.00 C ATOM 977 CG LEU A 59 -2.059 -12.926 3.128 1.00 0.00 C ATOM 978 CD1 LEU A 59 -1.226 -12.112 2.152 1.00 0.00 C ATOM 979 CD2 LEU A 59 -1.195 -13.445 4.270 1.00 0.00 C ATOM 0 H LEU A 59 -4.833 -10.379 4.979 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.245 -11.711 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.027 -12.765 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.616 -11.477 2.850 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.470 -13.785 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.401 -12.721 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.850 -11.798 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.828 -11.233 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.373 -14.036 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.793 -12.603 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.799 -14.068 4.929 1.00 0.00 H new ATOM 991 N TYR A 60 -0.905 -9.783 4.801 1.00 0.00 N ATOM 992 CA TYR A 60 -0.083 -8.634 4.417 1.00 0.00 C ATOM 993 C TYR A 60 1.283 -9.068 3.876 1.00 0.00 C ATOM 994 O TYR A 60 1.760 -10.163 4.169 1.00 0.00 O ATOM 995 CB TYR A 60 0.104 -7.680 5.601 1.00 0.00 C ATOM 996 CG TYR A 60 0.508 -8.354 6.897 1.00 0.00 C ATOM 997 CD1 TYR A 60 1.019 -9.645 6.908 1.00 0.00 C ATOM 998 CD2 TYR A 60 0.383 -7.690 8.110 1.00 0.00 C ATOM 999 CE1 TYR A 60 1.391 -10.257 8.090 1.00 0.00 C ATOM 1000 CE2 TYR A 60 0.752 -8.294 9.296 1.00 0.00 C ATOM 1001 CZ TYR A 60 1.256 -9.577 9.281 1.00 0.00 C ATOM 1002 OH TYR A 60 1.624 -10.182 10.460 1.00 0.00 O ATOM 0 H TYR A 60 -0.441 -10.443 5.425 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.612 -8.113 3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.862 -6.941 5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.827 -7.137 5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.128 -10.180 5.976 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.009 -6.684 8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.785 -11.262 8.080 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.646 -7.764 10.231 1.00 0.00 H new ATOM 0 HH TYR A 60 1.466 -9.567 11.206 1.00 0.00 H new ATOM 1012 N ASP A 61 1.912 -8.194 3.091 1.00 0.00 N ATOM 1013 CA ASP A 61 3.231 -8.473 2.518 1.00 0.00 C ATOM 1014 C ASP A 61 3.196 -9.639 1.527 1.00 0.00 C ATOM 1015 O ASP A 61 3.493 -9.466 0.345 1.00 0.00 O ATOM 1016 CB ASP A 61 4.239 -8.771 3.631 1.00 0.00 C ATOM 1017 CG ASP A 61 4.336 -7.645 4.640 1.00 0.00 C ATOM 1018 OD1 ASP A 61 4.655 -6.508 4.232 1.00 0.00 O ATOM 1019 OD2 ASP A 61 4.093 -7.899 5.838 1.00 0.00 O ATOM 0 H ASP A 61 1.529 -7.284 2.836 1.00 0.00 H new ATOM 0 HA ASP A 61 3.539 -7.582 1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.950 -9.689 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.221 -8.946 3.191 1.00 0.00 H new ATOM 1024 N LYS A 62 2.849 -10.826 2.019 1.00 0.00 N ATOM 1025 CA LYS A 62 2.791 -12.026 1.184 1.00 0.00 C ATOM 1026 C LYS A 62 1.915 -11.833 -0.057 1.00 0.00 C ATOM 1027 O LYS A 62 1.929 -12.665 -0.963 1.00 0.00 O ATOM 1028 CB LYS A 62 2.273 -13.209 2.005 1.00 0.00 C ATOM 1029 CG LYS A 62 3.378 -14.060 2.608 1.00 0.00 C ATOM 1030 CD LYS A 62 2.815 -15.140 3.519 1.00 0.00 C ATOM 1031 CE LYS A 62 3.790 -15.496 4.629 1.00 0.00 C ATOM 1032 NZ LYS A 62 3.088 -15.837 5.897 1.00 0.00 N ATOM 0 H LYS A 62 2.602 -10.984 2.996 1.00 0.00 H new ATOM 0 HA LYS A 62 3.805 -12.228 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.636 -12.834 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.648 -13.836 1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.959 -14.522 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.060 -13.425 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.876 -14.798 3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.589 -16.031 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.404 -16.340 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.465 -14.658 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.788 -16.074 6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.522 -15.023 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.463 -16.653 5.739 1.00 0.00 H new ATOM 1046 N ILE A 63 1.154 -10.744 -0.098 1.00 0.00 N ATOM 1047 CA ILE A 63 0.284 -10.470 -1.236 1.00 0.00 C ATOM 1048 C ILE A 63 1.099 -10.330 -2.522 1.00 0.00 C ATOM 1049 O ILE A 63 1.925 -9.426 -2.645 1.00 0.00 O ATOM 1050 CB ILE A 63 -0.538 -9.181 -1.021 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -1.318 -9.254 0.294 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -1.487 -8.957 -2.190 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.549 -8.724 1.486 1.00 0.00 C ATOM 0 H ILE A 63 1.122 -10.040 0.640 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.399 -11.315 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 63 0.151 -8.338 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.244 -8.689 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.597 -10.290 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.060 -8.045 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.913 -8.863 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.169 -9.803 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.164 -8.807 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.364 -9.305 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.293 -7.678 1.318 1.00 0.00 H new ATOM 1065 N PRO A 64 0.880 -11.228 -3.502 1.00 0.00 N ATOM 1066 CA PRO A 64 1.603 -11.197 -4.775 1.00 0.00 C ATOM 1067 C PRO A 64 1.062 -10.133 -5.724 1.00 0.00 C ATOM 1068 O PRO A 64 0.287 -9.266 -5.322 1.00 0.00 O ATOM 1069 CB PRO A 64 1.359 -12.595 -5.342 1.00 0.00 C ATOM 1070 CG PRO A 64 0.029 -12.990 -4.801 1.00 0.00 C ATOM 1071 CD PRO A 64 -0.085 -12.345 -3.443 1.00 0.00 C ATOM 0 HA PRO A 64 2.656 -10.948 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.357 -12.587 -6.432 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.137 -13.291 -5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.773 -12.655 -5.459 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.053 -14.074 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.098 -11.989 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.162 -13.046 -2.645 1.00 0.00 H new ATOM 1079 N SER A 65 1.477 -10.205 -6.984 1.00 0.00 N ATOM 1080 CA SER A 65 1.037 -9.247 -7.991 1.00 0.00 C ATOM 1081 C SER A 65 -0.328 -9.633 -8.552 1.00 0.00 C ATOM 1082 O SER A 65 -1.178 -8.774 -8.789 1.00 0.00 O ATOM 1083 CB SER A 65 2.060 -9.159 -9.125 1.00 0.00 C ATOM 1084 OG SER A 65 3.316 -8.712 -8.645 1.00 0.00 O ATOM 0 H SER A 65 2.118 -10.918 -7.332 1.00 0.00 H new ATOM 0 HA SER A 65 0.950 -8.272 -7.512 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.173 -10.137 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.697 -8.477 -9.894 1.00 0.00 H new ATOM 0 HG SER A 65 3.953 -8.666 -9.389 1.00 0.00 H new ATOM 1090 N SER A 66 -0.531 -10.929 -8.764 1.00 0.00 N ATOM 1091 CA SER A 66 -1.794 -11.428 -9.300 1.00 0.00 C ATOM 1092 C SER A 66 -2.959 -11.053 -8.390 1.00 0.00 C ATOM 1093 O SER A 66 -3.997 -10.582 -8.856 1.00 0.00 O ATOM 1094 CB SER A 66 -1.733 -12.946 -9.470 1.00 0.00 C ATOM 1095 OG SER A 66 -1.573 -13.594 -8.221 1.00 0.00 O ATOM 0 H SER A 66 0.162 -11.653 -8.573 1.00 0.00 H new ATOM 0 HA SER A 66 -1.955 -10.965 -10.274 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.646 -13.298 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.904 -13.208 -10.128 1.00 0.00 H new ATOM 0 HG SER A 66 -1.539 -14.564 -8.358 1.00 0.00 H new ATOM 1101 N VAL A 67 -2.781 -11.264 -7.090 1.00 0.00 N ATOM 1102 CA VAL A 67 -3.818 -10.946 -6.118 1.00 0.00 C ATOM 1103 C VAL A 67 -4.031 -9.439 -6.021 1.00 0.00 C ATOM 1104 O VAL A 67 -5.166 -8.965 -5.984 1.00 0.00 O ATOM 1105 CB VAL A 67 -3.472 -11.499 -4.721 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -4.623 -11.272 -3.752 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -3.124 -12.978 -4.804 1.00 0.00 C ATOM 0 H VAL A 67 -1.929 -11.653 -6.687 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.736 -11.420 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.601 -10.962 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.358 -11.670 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.823 -10.204 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.514 -11.780 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.883 -13.351 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.975 -13.530 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.265 -13.113 -5.461 1.00 0.00 H new ATOM 1117 N TRP A 68 -2.933 -8.693 -5.985 1.00 0.00 N ATOM 1118 CA TRP A 68 -3.002 -7.239 -5.897 1.00 0.00 C ATOM 1119 C TRP A 68 -3.690 -6.657 -7.128 1.00 0.00 C ATOM 1120 O TRP A 68 -4.391 -5.648 -7.040 1.00 0.00 O ATOM 1121 CB TRP A 68 -1.597 -6.648 -5.752 1.00 0.00 C ATOM 1122 CG TRP A 68 -1.374 -5.965 -4.440 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -0.239 -5.997 -3.683 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -2.309 -5.146 -3.728 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -0.411 -5.249 -2.547 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -1.674 -4.716 -2.549 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -3.622 -4.735 -3.975 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -2.306 -3.896 -1.618 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -4.249 -3.921 -3.050 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -3.590 -3.509 -1.885 1.00 0.00 C ATOM 0 H TRP A 68 -1.986 -9.070 -6.015 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.588 -6.977 -5.016 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.862 -7.444 -5.869 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.425 -5.935 -6.558 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.662 -6.533 -3.941 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.288 -5.111 -1.817 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.137 -5.047 -4.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -1.801 -3.577 -0.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.264 -3.597 -3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -4.107 -2.872 -1.183 1.00 0.00 H new ATOM 1141 N LYS A 69 -3.489 -7.303 -8.271 1.00 0.00 N ATOM 1142 CA LYS A 69 -4.092 -6.853 -9.519 1.00 0.00 C ATOM 1143 C LYS A 69 -5.613 -6.870 -9.421 1.00 0.00 C ATOM 1144 O LYS A 69 -6.285 -5.937 -9.858 1.00 0.00 O ATOM 1145 CB LYS A 69 -3.632 -7.738 -10.680 1.00 0.00 C ATOM 1146 CG LYS A 69 -3.406 -6.976 -11.976 1.00 0.00 C ATOM 1147 CD LYS A 69 -4.541 -7.201 -12.962 1.00 0.00 C ATOM 1148 CE LYS A 69 -4.601 -6.096 -14.003 1.00 0.00 C ATOM 1149 NZ LYS A 69 -6.002 -5.771 -14.390 1.00 0.00 N ATOM 0 H LYS A 69 -2.913 -8.140 -8.359 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.769 -5.829 -9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.707 -8.240 -10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.377 -8.515 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.315 -5.911 -11.762 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.465 -7.292 -12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.408 -8.163 -13.458 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.488 -7.247 -12.424 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.116 -5.202 -13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.042 -6.400 -14.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.999 -5.013 -15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.457 -6.617 -14.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.530 -5.456 -13.551 1.00 0.00 H new ATOM 1163 N PHE A 70 -6.150 -7.939 -8.840 1.00 0.00 N ATOM 1164 CA PHE A 70 -7.593 -8.077 -8.681 1.00 0.00 C ATOM 1165 C PHE A 70 -8.121 -7.090 -7.644 1.00 0.00 C ATOM 1166 O PHE A 70 -9.190 -6.505 -7.818 1.00 0.00 O ATOM 1167 CB PHE A 70 -7.948 -9.507 -8.267 1.00 0.00 C ATOM 1168 CG PHE A 70 -9.418 -9.806 -8.338 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -10.259 -9.468 -7.290 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -9.959 -10.426 -9.453 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -11.612 -9.742 -7.353 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -11.311 -10.704 -9.522 1.00 0.00 C ATOM 1173 CZ PHE A 70 -12.138 -10.360 -8.470 1.00 0.00 C ATOM 0 H PHE A 70 -5.608 -8.721 -8.472 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.062 -7.857 -9.640 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.412 -10.206 -8.909 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.600 -9.679 -7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.852 -8.985 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.316 -10.695 -10.278 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -12.257 -9.473 -6.530 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -11.720 -11.189 -10.396 1.00 0.00 H new ATOM 0 HZ PHE A 70 -13.195 -10.574 -8.521 1.00 0.00 H new ATOM 1183 N ILE A 71 -7.364 -6.909 -6.567 1.00 0.00 N ATOM 1184 CA ILE A 71 -7.755 -5.991 -5.503 1.00 0.00 C ATOM 1185 C ILE A 71 -7.615 -4.541 -5.953 1.00 0.00 C ATOM 1186 O ILE A 71 -6.505 -4.030 -6.102 1.00 0.00 O ATOM 1187 CB ILE A 71 -6.909 -6.207 -4.234 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -6.910 -7.685 -3.838 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -7.431 -5.347 -3.092 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -5.736 -8.081 -2.969 1.00 0.00 C ATOM 0 H ILE A 71 -6.476 -7.386 -6.408 1.00 0.00 H new ATOM 0 HA ILE A 71 -8.800 -6.200 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.883 -5.907 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.836 -7.910 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.904 -8.294 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.821 -5.513 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.381 -4.296 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.465 -5.616 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.803 -9.142 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.806 -7.889 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.752 -7.498 -2.048 1.00 0.00 H new