USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 676 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.94) USER MOD Set 2.1: A 42 CYS SG : rot -63:sc= -1.2 USER MOD Set 2.2: A 43 MET CE :methyl 163:sc= -1.06 (180deg=-1.03) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 134:sc= -0.151 (180deg=-1.24) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -59:sc= 1.11 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -86:sc= 1.26 USER MOD Single : A 37 THR OG1 : rot 104:sc= -0.129 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0981) USER MOD Single : A 48 ASN : amide:sc= -0.159 X(o=-0.16,f=-0.006) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0343 X(o=-0.034,f=-0.072) USER MOD Single : A 68 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.13) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.3) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.160 5.744 12.849 1.00 0.00 N ATOM 107 CA LYS A 10 7.736 5.629 13.144 1.00 0.00 C ATOM 108 C LYS A 10 7.158 4.351 12.547 1.00 0.00 C ATOM 109 O LYS A 10 7.655 3.843 11.541 1.00 0.00 O ATOM 110 CB LYS A 10 6.983 6.845 12.600 1.00 0.00 C ATOM 111 CG LYS A 10 5.472 6.695 12.647 1.00 0.00 C ATOM 112 CD LYS A 10 4.949 6.763 14.072 1.00 0.00 C ATOM 113 CE LYS A 10 5.069 8.167 14.644 1.00 0.00 C ATOM 114 NZ LYS A 10 4.149 8.377 15.796 1.00 0.00 N ATOM 0 HA LYS A 10 7.616 5.589 14.227 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.270 7.726 13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.290 7.021 11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.009 7.481 12.051 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.186 5.744 12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.906 6.449 14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.505 6.065 14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.096 8.343 14.963 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.848 8.897 13.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.261 9.346 16.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.167 8.234 15.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.376 7.698 16.550 1.00 0.00 H new ATOM 128 N LEU A 11 6.105 3.835 13.172 1.00 0.00 N ATOM 129 CA LEU A 11 5.457 2.616 12.701 1.00 0.00 C ATOM 130 C LEU A 11 4.171 2.938 11.947 1.00 0.00 C ATOM 131 O LEU A 11 3.246 3.533 12.501 1.00 0.00 O ATOM 132 CB LEU A 11 5.152 1.689 13.879 1.00 0.00 C ATOM 133 CG LEU A 11 6.332 0.879 14.418 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.016 0.118 13.293 1.00 0.00 C ATOM 135 CD2 LEU A 11 7.323 1.788 15.129 1.00 0.00 C ATOM 0 H LEU A 11 5.682 4.242 14.006 1.00 0.00 H new ATOM 0 HA LEU A 11 6.140 2.112 12.017 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.747 2.290 14.693 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.369 0.994 13.576 1.00 0.00 H new ATOM 0 HG LEU A 11 5.951 0.156 15.139 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.853 -0.452 13.696 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.303 -0.563 12.828 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.383 0.823 12.547 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.156 1.194 15.506 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.697 2.536 14.430 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.827 2.287 15.962 1.00 0.00 H new ATOM 147 N VAL A 12 4.118 2.540 10.680 1.00 0.00 N ATOM 148 CA VAL A 12 2.944 2.784 9.850 1.00 0.00 C ATOM 149 C VAL A 12 2.292 1.474 9.423 1.00 0.00 C ATOM 150 O VAL A 12 2.933 0.622 8.808 1.00 0.00 O ATOM 151 CB VAL A 12 3.304 3.600 8.594 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.204 3.485 7.550 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.554 5.055 8.958 1.00 0.00 C ATOM 0 H VAL A 12 4.875 2.047 10.206 1.00 0.00 H new ATOM 0 HA VAL A 12 2.241 3.356 10.456 1.00 0.00 H new ATOM 0 HB VAL A 12 4.221 3.193 8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.475 4.068 6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.078 2.440 7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.269 3.865 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.807 5.617 8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.656 5.477 9.409 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.379 5.116 9.668 1.00 0.00 H new ATOM 163 N ARG A 13 1.014 1.321 9.752 1.00 0.00 N ATOM 164 CA ARG A 13 0.274 0.114 9.402 1.00 0.00 C ATOM 165 C ARG A 13 -0.652 0.368 8.216 1.00 0.00 C ATOM 166 O ARG A 13 -1.425 1.327 8.214 1.00 0.00 O ATOM 167 CB ARG A 13 -0.539 -0.377 10.602 1.00 0.00 C ATOM 168 CG ARG A 13 0.316 -0.927 11.732 1.00 0.00 C ATOM 169 CD ARG A 13 0.753 0.173 12.686 1.00 0.00 C ATOM 170 NE ARG A 13 -0.222 0.392 13.752 1.00 0.00 N ATOM 171 CZ ARG A 13 -0.507 -0.511 14.683 1.00 0.00 C ATOM 172 NH1 ARG A 13 0.104 -1.688 14.680 1.00 0.00 N ATOM 173 NH2 ARG A 13 -1.406 -0.238 15.621 1.00 0.00 N ATOM 0 H ARG A 13 0.469 2.017 10.260 1.00 0.00 H new ATOM 0 HA ARG A 13 0.994 -0.654 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.143 0.447 10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.230 -1.152 10.270 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.246 -1.683 12.280 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.195 -1.421 11.318 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.716 -0.088 13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.896 1.099 12.130 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.710 1.287 13.783 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.795 -1.902 13.961 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.117 -2.379 15.397 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.878 0.666 15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.624 -0.932 16.336 1.00 0.00 H new ATOM 187 N ILE A 14 -0.568 -0.496 7.211 1.00 0.00 N ATOM 188 CA ILE A 14 -1.399 -0.365 6.020 1.00 0.00 C ATOM 189 C ILE A 14 -2.351 -1.548 5.881 1.00 0.00 C ATOM 190 O ILE A 14 -1.921 -2.684 5.678 1.00 0.00 O ATOM 191 CB ILE A 14 -0.542 -0.258 4.745 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.436 0.913 4.859 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.431 -0.095 3.521 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.243 2.262 4.937 1.00 0.00 C ATOM 0 H ILE A 14 0.067 -1.294 7.197 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.977 0.552 6.138 1.00 0.00 H new ATOM 0 HB ILE A 14 0.032 -1.178 4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.054 0.775 5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.106 0.902 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.811 -0.021 2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.091 -0.958 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.029 0.811 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.511 3.045 5.016 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.839 2.422 4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.891 2.293 5.813 1.00 0.00 H new ATOM 206 N TYR A 15 -3.646 -1.274 5.991 1.00 0.00 N ATOM 207 CA TYR A 15 -4.660 -2.316 5.878 1.00 0.00 C ATOM 208 C TYR A 15 -4.958 -2.629 4.415 1.00 0.00 C ATOM 209 O TYR A 15 -5.715 -1.916 3.755 1.00 0.00 O ATOM 210 CB TYR A 15 -5.943 -1.887 6.591 1.00 0.00 C ATOM 211 CG TYR A 15 -5.748 -1.586 8.060 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.508 -2.607 8.972 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.803 -0.282 8.536 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.330 -2.337 10.315 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.624 -0.003 9.877 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.388 -1.034 10.763 1.00 0.00 C ATOM 217 OH TYR A 15 -5.211 -0.760 12.100 1.00 0.00 O ATOM 0 H TYR A 15 -4.019 -0.339 6.158 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.273 -3.218 6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.344 -1.002 6.098 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.688 -2.676 6.486 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.460 -3.629 8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.989 0.528 7.846 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.146 -3.142 11.011 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.669 1.017 10.230 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.281 0.206 12.248 1.00 0.00 H new ATOM 227 N THR A 16 -4.358 -3.704 3.912 1.00 0.00 N ATOM 228 CA THR A 16 -4.558 -4.114 2.528 1.00 0.00 C ATOM 229 C THR A 16 -5.972 -4.639 2.309 1.00 0.00 C ATOM 230 O THR A 16 -6.508 -5.376 3.137 1.00 0.00 O ATOM 231 CB THR A 16 -3.549 -5.201 2.113 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.983 -5.838 0.906 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.391 -6.241 3.212 1.00 0.00 C ATOM 0 H THR A 16 -3.729 -4.306 4.443 1.00 0.00 H new ATOM 0 HA THR A 16 -4.402 -3.229 1.911 1.00 0.00 H new ATOM 0 HB THR A 16 -2.584 -4.724 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.335 -6.527 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.674 -6.998 2.896 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.032 -5.758 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.354 -6.713 3.408 1.00 0.00 H new ATOM 241 N LYS A 17 -6.574 -4.256 1.188 1.00 0.00 N ATOM 242 CA LYS A 17 -7.926 -4.690 0.857 1.00 0.00 C ATOM 243 C LYS A 17 -7.926 -5.570 -0.388 1.00 0.00 C ATOM 244 O LYS A 17 -7.816 -5.091 -1.517 1.00 0.00 O ATOM 245 CB LYS A 17 -8.833 -3.477 0.637 1.00 0.00 C ATOM 246 CG LYS A 17 -10.298 -3.837 0.462 1.00 0.00 C ATOM 247 CD LYS A 17 -11.141 -2.611 0.155 1.00 0.00 C ATOM 248 CE LYS A 17 -11.684 -1.975 1.425 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.013 -2.532 1.800 1.00 0.00 N ATOM 0 H LYS A 17 -6.146 -3.645 0.492 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.308 -5.275 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.733 -2.800 1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.493 -2.935 -0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.401 -4.562 -0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.667 -4.315 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.540 -1.883 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.969 -2.891 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.980 -2.135 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.769 -0.897 1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.023 -2.751 2.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.754 -1.834 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.191 -3.401 1.257 1.00 0.00 H new ATOM 263 N PRO A 18 -8.054 -6.889 -0.181 1.00 0.00 N ATOM 264 CA PRO A 18 -8.074 -7.864 -1.276 1.00 0.00 C ATOM 265 C PRO A 18 -9.346 -7.772 -2.111 1.00 0.00 C ATOM 266 O PRO A 18 -10.431 -7.527 -1.584 1.00 0.00 O ATOM 267 CB PRO A 18 -8.005 -9.211 -0.553 1.00 0.00 C ATOM 268 CG PRO A 18 -8.572 -8.945 0.799 1.00 0.00 C ATOM 269 CD PRO A 18 -8.190 -7.531 1.137 1.00 0.00 C ATOM 0 HA PRO A 18 -7.259 -7.701 -1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.579 -9.973 -1.080 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.979 -9.573 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.655 -9.067 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.172 -9.644 1.534 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.952 -7.043 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.258 -7.491 1.702 1.00 0.00 H new ATOM 277 N LYS A 19 -9.207 -7.971 -3.418 1.00 0.00 N ATOM 278 CA LYS A 19 -10.345 -7.913 -4.327 1.00 0.00 C ATOM 279 C LYS A 19 -11.457 -8.850 -3.867 1.00 0.00 C ATOM 280 O LYS A 19 -11.330 -10.071 -3.955 1.00 0.00 O ATOM 281 CB LYS A 19 -9.909 -8.280 -5.747 1.00 0.00 C ATOM 282 CG LYS A 19 -9.158 -9.597 -5.831 1.00 0.00 C ATOM 283 CD LYS A 19 -8.208 -9.622 -7.017 1.00 0.00 C ATOM 284 CE LYS A 19 -8.902 -10.114 -8.278 1.00 0.00 C ATOM 285 NZ LYS A 19 -9.510 -8.994 -9.049 1.00 0.00 N ATOM 0 H LYS A 19 -8.316 -8.174 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.729 -6.893 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.790 -8.332 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.276 -7.485 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.597 -9.756 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.870 -10.418 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.810 -8.622 -7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.360 -10.269 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.183 -10.640 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.676 -10.833 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.973 -9.370 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.214 -8.508 -8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.768 -8.321 -9.327 1.00 0.00 H new ATOM 299 N GLY A 20 -12.549 -8.271 -3.377 1.00 0.00 N ATOM 300 CA GLY A 20 -13.668 -9.069 -2.912 1.00 0.00 C ATOM 301 C GLY A 20 -13.719 -9.172 -1.401 1.00 0.00 C ATOM 302 O GLY A 20 -14.640 -8.656 -0.768 1.00 0.00 O ATOM 0 H GLY A 20 -12.678 -7.263 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.598 -8.631 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.599 -10.069 -3.339 1.00 0.00 H new ATOM 306 N GLN A 21 -12.727 -9.841 -0.821 1.00 0.00 N ATOM 307 CA GLN A 21 -12.665 -10.011 0.626 1.00 0.00 C ATOM 308 C GLN A 21 -12.470 -8.669 1.324 1.00 0.00 C ATOM 309 O GLN A 21 -12.176 -7.660 0.682 1.00 0.00 O ATOM 310 CB GLN A 21 -11.529 -10.964 1.000 1.00 0.00 C ATOM 311 CG GLN A 21 -11.895 -12.433 0.858 1.00 0.00 C ATOM 312 CD GLN A 21 -12.572 -12.988 2.096 1.00 0.00 C ATOM 313 OE1 GLN A 21 -13.408 -12.325 2.710 1.00 0.00 O ATOM 314 NE2 GLN A 21 -12.213 -14.211 2.469 1.00 0.00 N ATOM 0 H GLN A 21 -11.956 -10.273 -1.330 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.612 -10.438 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.665 -10.751 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.228 -10.771 2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.556 -12.558 0.000 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.993 -13.010 0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.516 -14.724 1.930 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.635 -14.637 3.294 1.00 0.00 H new ATOM 323 N LEU A 22 -12.635 -8.664 2.642 1.00 0.00 N ATOM 324 CA LEU A 22 -12.478 -7.446 3.429 1.00 0.00 C ATOM 325 C LEU A 22 -11.012 -7.210 3.779 1.00 0.00 C ATOM 326 O LEU A 22 -10.204 -8.137 3.832 1.00 0.00 O ATOM 327 CB LEU A 22 -13.313 -7.529 4.707 1.00 0.00 C ATOM 328 CG LEU A 22 -12.605 -8.103 5.935 1.00 0.00 C ATOM 329 CD1 LEU A 22 -11.773 -7.031 6.622 1.00 0.00 C ATOM 330 CD2 LEU A 22 -13.616 -8.698 6.904 1.00 0.00 C ATOM 0 H LEU A 22 -12.878 -9.490 3.189 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.829 -6.607 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.667 -6.528 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.194 -8.138 4.503 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.936 -8.898 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.277 -7.458 7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.024 -6.651 5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.422 -6.214 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.094 -9.102 7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.311 -7.923 7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.168 -9.497 6.409 1.00 0.00 H new ATOM 342 N PRO A 23 -10.660 -5.939 4.027 1.00 0.00 N ATOM 343 CA PRO A 23 -9.290 -5.552 4.380 1.00 0.00 C ATOM 344 C PRO A 23 -8.891 -6.037 5.769 1.00 0.00 C ATOM 345 O PRO A 23 -9.472 -5.624 6.773 1.00 0.00 O ATOM 346 CB PRO A 23 -9.333 -4.023 4.339 1.00 0.00 C ATOM 347 CG PRO A 23 -10.759 -3.676 4.596 1.00 0.00 C ATOM 348 CD PRO A 23 -11.571 -4.784 3.982 1.00 0.00 C ATOM 0 HA PRO A 23 -8.555 -5.990 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.678 -3.588 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.001 -3.644 3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.955 -3.595 5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.013 -2.714 4.152 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.486 -4.971 4.545 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.868 -4.546 2.961 1.00 0.00 H new ATOM 356 N ASP A 24 -7.895 -6.916 5.820 1.00 0.00 N ATOM 357 CA ASP A 24 -7.417 -7.456 7.087 1.00 0.00 C ATOM 358 C ASP A 24 -7.087 -6.334 8.067 1.00 0.00 C ATOM 359 O ASP A 24 -6.136 -5.579 7.864 1.00 0.00 O ATOM 360 CB ASP A 24 -6.182 -8.330 6.860 1.00 0.00 C ATOM 361 CG ASP A 24 -6.276 -9.143 5.584 1.00 0.00 C ATOM 362 OD1 ASP A 24 -7.373 -9.662 5.291 1.00 0.00 O ATOM 363 OD2 ASP A 24 -5.252 -9.262 4.879 1.00 0.00 O ATOM 0 H ASP A 24 -7.404 -7.269 4.999 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.212 -8.067 7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.295 -7.698 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.056 -9.003 7.708 1.00 0.00 H new ATOM 368 N TYR A 25 -7.880 -6.230 9.128 1.00 0.00 N ATOM 369 CA TYR A 25 -7.675 -5.198 10.137 1.00 0.00 C ATOM 370 C TYR A 25 -6.937 -5.759 11.348 1.00 0.00 C ATOM 371 O TYR A 25 -6.647 -5.038 12.303 1.00 0.00 O ATOM 372 CB TYR A 25 -9.017 -4.606 10.572 1.00 0.00 C ATOM 373 CG TYR A 25 -9.671 -3.747 9.513 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.045 -2.602 9.036 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.915 -4.079 8.992 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.639 -1.813 8.070 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.516 -3.298 8.024 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.874 -2.165 7.567 1.00 0.00 C ATOM 379 OH TYR A 25 -11.470 -1.383 6.604 1.00 0.00 O ATOM 0 H TYR A 25 -8.671 -6.848 9.311 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.065 -4.410 9.695 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.694 -5.418 10.838 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.867 -4.008 11.471 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.077 -2.324 9.427 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.421 -4.963 9.350 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.139 -0.926 7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.482 -3.572 7.627 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.335 -1.771 6.357 1.00 0.00 H new ATOM 389 N THR A 26 -6.636 -7.054 11.302 1.00 0.00 N ATOM 390 CA THR A 26 -5.933 -7.714 12.395 1.00 0.00 C ATOM 391 C THR A 26 -4.541 -8.160 11.963 1.00 0.00 C ATOM 392 O THR A 26 -3.634 -8.279 12.786 1.00 0.00 O ATOM 393 CB THR A 26 -6.716 -8.938 12.908 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.039 -9.518 14.028 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.873 -9.979 11.809 1.00 0.00 C ATOM 0 H THR A 26 -6.868 -7.666 10.520 1.00 0.00 H new ATOM 0 HA THR A 26 -5.844 -6.985 13.200 1.00 0.00 H new ATOM 0 HB THR A 26 -7.707 -8.605 13.216 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.544 -10.294 14.349 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.429 -10.834 12.194 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.414 -9.543 10.969 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.889 -10.307 11.475 1.00 0.00 H new ATOM 403 N SER A 27 -4.378 -8.404 10.666 1.00 0.00 N ATOM 404 CA SER A 27 -3.096 -8.840 10.126 1.00 0.00 C ATOM 405 C SER A 27 -2.548 -7.816 9.136 1.00 0.00 C ATOM 406 O SER A 27 -2.211 -8.136 7.996 1.00 0.00 O ATOM 407 CB SER A 27 -3.243 -10.200 9.441 1.00 0.00 C ATOM 408 OG SER A 27 -2.048 -10.568 8.775 1.00 0.00 O ATOM 0 H SER A 27 -5.118 -8.307 9.970 1.00 0.00 H new ATOM 0 HA SER A 27 -2.393 -8.932 10.954 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.498 -10.958 10.182 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.065 -10.163 8.726 1.00 0.00 H new ATOM 0 HG SER A 27 -1.829 -9.893 8.099 1.00 0.00 H new ATOM 414 N PRO A 28 -2.457 -6.554 9.580 1.00 0.00 N ATOM 415 CA PRO A 28 -1.951 -5.457 8.750 1.00 0.00 C ATOM 416 C PRO A 28 -0.454 -5.575 8.484 1.00 0.00 C ATOM 417 O PRO A 28 0.240 -6.368 9.122 1.00 0.00 O ATOM 418 CB PRO A 28 -2.248 -4.212 9.589 1.00 0.00 C ATOM 419 CG PRO A 28 -2.292 -4.703 10.994 1.00 0.00 C ATOM 420 CD PRO A 28 -2.842 -6.101 10.927 1.00 0.00 C ATOM 0 HA PRO A 28 -2.415 -5.444 7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.476 -3.454 9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.195 -3.756 9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.298 -4.696 11.441 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.924 -4.064 11.611 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.416 -6.738 11.702 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.924 -6.114 11.062 1.00 0.00 H new ATOM 428 N VAL A 29 0.039 -4.781 7.539 1.00 0.00 N ATOM 429 CA VAL A 29 1.455 -4.796 7.190 1.00 0.00 C ATOM 430 C VAL A 29 2.183 -3.603 7.798 1.00 0.00 C ATOM 431 O VAL A 29 1.970 -2.459 7.395 1.00 0.00 O ATOM 432 CB VAL A 29 1.657 -4.782 5.663 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.805 -3.697 5.021 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.126 -4.589 5.322 1.00 0.00 C ATOM 0 H VAL A 29 -0.521 -4.119 7.001 1.00 0.00 H new ATOM 0 HA VAL A 29 1.871 -5.718 7.596 1.00 0.00 H new ATOM 0 HB VAL A 29 1.338 -5.745 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.961 -3.702 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.247 -3.885 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.090 -2.725 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.250 -4.582 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.474 -3.641 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.709 -5.405 5.748 1.00 0.00 H new ATOM 444 N VAL A 30 3.045 -3.876 8.773 1.00 0.00 N ATOM 445 CA VAL A 30 3.807 -2.826 9.437 1.00 0.00 C ATOM 446 C VAL A 30 4.999 -2.393 8.591 1.00 0.00 C ATOM 447 O VAL A 30 6.012 -3.092 8.523 1.00 0.00 O ATOM 448 CB VAL A 30 4.310 -3.285 10.818 1.00 0.00 C ATOM 449 CG1 VAL A 30 4.994 -2.138 11.547 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.162 -3.844 11.645 1.00 0.00 C ATOM 0 H VAL A 30 3.233 -4.817 9.120 1.00 0.00 H new ATOM 0 HA VAL A 30 3.132 -1.980 9.568 1.00 0.00 H new ATOM 0 HB VAL A 30 5.043 -4.079 10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.342 -2.482 12.521 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.844 -1.789 10.960 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.287 -1.320 11.683 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.536 -4.163 12.618 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.404 -3.073 11.783 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.722 -4.697 11.128 1.00 0.00 H new ATOM 460 N LEU A 31 4.874 -1.238 7.949 1.00 0.00 N ATOM 461 CA LEU A 31 5.942 -0.710 7.107 1.00 0.00 C ATOM 462 C LEU A 31 6.702 0.401 7.823 1.00 0.00 C ATOM 463 O LEU A 31 6.130 1.197 8.568 1.00 0.00 O ATOM 464 CB LEU A 31 5.367 -0.184 5.790 1.00 0.00 C ATOM 465 CG LEU A 31 4.676 -1.216 4.899 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.108 -0.552 3.654 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.644 -2.327 4.519 1.00 0.00 C ATOM 0 H LEU A 31 4.043 -0.648 7.995 1.00 0.00 H new ATOM 0 HA LEU A 31 6.638 -1.522 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.651 0.606 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.176 0.274 5.221 1.00 0.00 H new ATOM 0 HG LEU A 31 3.851 -1.656 5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.620 -1.302 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.381 0.206 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.915 -0.083 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.134 -3.052 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.490 -1.903 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.002 -2.822 5.422 1.00 0.00 H new ATOM 479 N PRO A 32 8.022 0.459 7.593 1.00 0.00 N ATOM 480 CA PRO A 32 8.889 1.470 8.205 1.00 0.00 C ATOM 481 C PRO A 32 8.631 2.867 7.650 1.00 0.00 C ATOM 482 O PRO A 32 8.779 3.107 6.452 1.00 0.00 O ATOM 483 CB PRO A 32 10.298 1.000 7.836 1.00 0.00 C ATOM 484 CG PRO A 32 10.117 0.200 6.593 1.00 0.00 C ATOM 485 CD PRO A 32 8.770 -0.458 6.716 1.00 0.00 C ATOM 0 HA PRO A 32 8.721 1.555 9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.966 1.845 7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.736 0.399 8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.161 0.837 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.907 -0.544 6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.287 -0.569 5.745 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.848 -1.455 7.150 1.00 0.00 H new ATOM 493 N TYR A 33 8.245 3.786 8.529 1.00 0.00 N ATOM 494 CA TYR A 33 7.964 5.159 8.126 1.00 0.00 C ATOM 495 C TYR A 33 8.983 5.644 7.099 1.00 0.00 C ATOM 496 O TYR A 33 8.626 6.008 5.979 1.00 0.00 O ATOM 497 CB TYR A 33 7.974 6.082 9.346 1.00 0.00 C ATOM 498 CG TYR A 33 7.236 7.383 9.126 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.818 8.423 8.410 1.00 0.00 C ATOM 500 CD2 TYR A 33 5.956 7.573 9.633 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.147 9.613 8.208 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.278 8.760 9.434 1.00 0.00 C ATOM 503 CZ TYR A 33 5.878 9.777 8.721 1.00 0.00 C ATOM 504 OH TYR A 33 5.206 10.961 8.520 1.00 0.00 O ATOM 0 H TYR A 33 8.120 3.605 9.525 1.00 0.00 H new ATOM 0 HA TYR A 33 6.975 5.182 7.669 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.527 5.559 10.191 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.007 6.301 9.617 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.811 8.298 8.005 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.483 6.779 10.192 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.614 10.411 7.651 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.284 8.891 9.834 1.00 0.00 H new ATOM 0 HH TYR A 33 4.324 10.913 8.945 1.00 0.00 H new ATOM 514 N SER A 34 10.253 5.644 7.489 1.00 0.00 N ATOM 515 CA SER A 34 11.325 6.087 6.605 1.00 0.00 C ATOM 516 C SER A 34 11.080 5.612 5.176 1.00 0.00 C ATOM 517 O SER A 34 11.352 6.333 4.215 1.00 0.00 O ATOM 518 CB SER A 34 12.674 5.567 7.104 1.00 0.00 C ATOM 519 OG SER A 34 12.667 4.154 7.215 1.00 0.00 O ATOM 0 H SER A 34 10.565 5.342 8.412 1.00 0.00 H new ATOM 0 HA SER A 34 11.341 7.177 6.610 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.463 5.877 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.902 6.010 8.074 1.00 0.00 H new ATOM 0 HG SER A 34 13.541 3.847 7.534 1.00 0.00 H new ATOM 525 N ARG A 35 10.566 4.393 5.044 1.00 0.00 N ATOM 526 CA ARG A 35 10.286 3.820 3.733 1.00 0.00 C ATOM 527 C ARG A 35 8.825 3.393 3.627 1.00 0.00 C ATOM 528 O ARG A 35 8.482 2.241 3.895 1.00 0.00 O ATOM 529 CB ARG A 35 11.199 2.621 3.471 1.00 0.00 C ATOM 530 CG ARG A 35 12.673 2.985 3.387 1.00 0.00 C ATOM 531 CD ARG A 35 13.053 3.451 1.991 1.00 0.00 C ATOM 532 NE ARG A 35 14.419 3.963 1.938 1.00 0.00 N ATOM 533 CZ ARG A 35 14.861 4.782 0.989 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.048 5.179 0.020 1.00 0.00 N ATOM 535 NH2 ARG A 35 16.118 5.205 1.009 1.00 0.00 N ATOM 0 H ARG A 35 10.335 3.784 5.829 1.00 0.00 H new ATOM 0 HA ARG A 35 10.478 4.586 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.059 1.888 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.898 2.142 2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.896 3.772 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.278 2.121 3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.949 2.622 1.291 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.361 4.229 1.668 1.00 0.00 H new ATOM 0 HE ARG A 35 15.070 3.677 2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.081 4.856 0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.390 5.808 -0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.746 4.902 1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.456 5.833 0.280 1.00 0.00 H new ATOM 549 N THR A 36 7.967 4.330 3.235 1.00 0.00 N ATOM 550 CA THR A 36 6.543 4.052 3.095 1.00 0.00 C ATOM 551 C THR A 36 6.018 4.536 1.749 1.00 0.00 C ATOM 552 O THR A 36 5.959 5.738 1.489 1.00 0.00 O ATOM 553 CB THR A 36 5.728 4.716 4.221 1.00 0.00 C ATOM 554 OG1 THR A 36 6.319 5.970 4.579 1.00 0.00 O ATOM 555 CG2 THR A 36 5.659 3.814 5.444 1.00 0.00 C ATOM 0 H THR A 36 8.234 5.288 3.009 1.00 0.00 H new ATOM 0 HA THR A 36 6.424 2.970 3.160 1.00 0.00 H new ATOM 0 HB THR A 36 4.715 4.883 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.019 5.822 5.248 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.079 4.304 6.225 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.182 2.872 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.667 3.619 5.809 1.00 0.00 H new ATOM 563 N THR A 37 5.635 3.592 0.894 1.00 0.00 N ATOM 564 CA THR A 37 5.115 3.923 -0.427 1.00 0.00 C ATOM 565 C THR A 37 4.395 2.731 -1.048 1.00 0.00 C ATOM 566 O THR A 37 4.577 1.591 -0.621 1.00 0.00 O ATOM 567 CB THR A 37 6.239 4.380 -1.375 1.00 0.00 C ATOM 568 OG1 THR A 37 7.468 3.733 -1.027 1.00 0.00 O ATOM 569 CG2 THR A 37 6.419 5.890 -1.312 1.00 0.00 C ATOM 0 H THR A 37 5.675 2.592 1.093 1.00 0.00 H new ATOM 0 HA THR A 37 4.408 4.742 -0.293 1.00 0.00 H new ATOM 0 HB THR A 37 5.960 4.105 -2.392 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.657 3.020 -1.673 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.218 6.190 -1.990 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.491 6.380 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.677 6.184 -0.294 1.00 0.00 H new ATOM 577 N VAL A 38 3.576 3.002 -2.060 1.00 0.00 N ATOM 578 CA VAL A 38 2.830 1.952 -2.742 1.00 0.00 C ATOM 579 C VAL A 38 3.765 0.880 -3.290 1.00 0.00 C ATOM 580 O VAL A 38 3.450 -0.308 -3.258 1.00 0.00 O ATOM 581 CB VAL A 38 1.987 2.522 -3.898 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.552 1.411 -4.841 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.781 3.275 -3.356 1.00 0.00 C ATOM 0 H VAL A 38 3.413 3.940 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 38 2.165 1.506 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 38 2.602 3.223 -4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.958 1.833 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.432 0.920 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.954 0.683 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.196 3.671 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.163 2.597 -2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.119 4.097 -2.725 1.00 0.00 H new ATOM 593 N GLU A 39 4.919 1.310 -3.793 1.00 0.00 N ATOM 594 CA GLU A 39 5.901 0.387 -4.349 1.00 0.00 C ATOM 595 C GLU A 39 6.616 -0.379 -3.240 1.00 0.00 C ATOM 596 O GLU A 39 7.144 -1.469 -3.464 1.00 0.00 O ATOM 597 CB GLU A 39 6.921 1.144 -5.201 1.00 0.00 C ATOM 598 CG GLU A 39 7.939 1.922 -4.384 1.00 0.00 C ATOM 599 CD GLU A 39 9.151 2.330 -5.198 1.00 0.00 C ATOM 600 OE1 GLU A 39 9.614 1.514 -6.022 1.00 0.00 O ATOM 601 OE2 GLU A 39 9.636 3.466 -5.012 1.00 0.00 O ATOM 0 H GLU A 39 5.196 2.291 -3.827 1.00 0.00 H new ATOM 0 HA GLU A 39 5.373 -0.329 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.446 0.434 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.392 1.834 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.465 2.813 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.262 1.314 -3.539 1.00 0.00 H new ATOM 608 N ASP A 40 6.630 0.199 -2.044 1.00 0.00 N ATOM 609 CA ASP A 40 7.280 -0.428 -0.899 1.00 0.00 C ATOM 610 C ASP A 40 6.417 -1.550 -0.331 1.00 0.00 C ATOM 611 O ASP A 40 6.931 -2.553 0.164 1.00 0.00 O ATOM 612 CB ASP A 40 7.565 0.612 0.185 1.00 0.00 C ATOM 613 CG ASP A 40 8.792 1.448 -0.122 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.989 1.800 -1.304 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.556 1.750 0.819 1.00 0.00 O ATOM 0 H ASP A 40 6.199 1.101 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 40 8.223 -0.856 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.700 1.267 0.292 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.703 0.107 1.141 1.00 0.00 H new ATOM 620 N PHE A 41 5.102 -1.373 -0.405 1.00 0.00 N ATOM 621 CA PHE A 41 4.166 -2.369 0.104 1.00 0.00 C ATOM 622 C PHE A 41 4.119 -3.588 -0.812 1.00 0.00 C ATOM 623 O PHE A 41 4.093 -4.728 -0.346 1.00 0.00 O ATOM 624 CB PHE A 41 2.768 -1.764 0.239 1.00 0.00 C ATOM 625 CG PHE A 41 1.682 -2.791 0.392 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.331 -3.611 -0.668 1.00 0.00 C ATOM 627 CD2 PHE A 41 1.013 -2.936 1.597 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.334 -4.557 -0.531 1.00 0.00 C ATOM 629 CE2 PHE A 41 0.014 -3.881 1.740 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.327 -4.692 0.675 1.00 0.00 C ATOM 0 H PHE A 41 4.660 -0.549 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 41 4.512 -2.688 1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.751 -1.098 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.559 -1.154 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.843 -3.509 -1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.275 -2.304 2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.071 -5.190 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.500 -3.985 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.108 -5.430 0.785 1.00 0.00 H new ATOM 640 N CYS A 42 4.107 -3.340 -2.117 1.00 0.00 N ATOM 641 CA CYS A 42 4.061 -4.417 -3.100 1.00 0.00 C ATOM 642 C CYS A 42 5.197 -5.409 -2.873 1.00 0.00 C ATOM 643 O CYS A 42 5.011 -6.619 -2.998 1.00 0.00 O ATOM 644 CB CYS A 42 4.142 -3.846 -4.517 1.00 0.00 C ATOM 645 SG CYS A 42 5.824 -3.485 -5.072 1.00 0.00 S ATOM 0 H CYS A 42 4.128 -2.403 -2.519 1.00 0.00 H new ATOM 0 HA CYS A 42 3.114 -4.943 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.687 -4.554 -5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.551 -2.931 -4.563 1.00 0.00 H new ATOM 0 HG CYS A 42 6.340 -2.559 -4.319 1.00 0.00 H new ATOM 651 N MET A 43 6.373 -4.888 -2.540 1.00 0.00 N ATOM 652 CA MET A 43 7.539 -5.729 -2.296 1.00 0.00 C ATOM 653 C MET A 43 7.281 -6.695 -1.143 1.00 0.00 C ATOM 654 O MET A 43 7.595 -7.882 -1.232 1.00 0.00 O ATOM 655 CB MET A 43 8.763 -4.864 -1.988 1.00 0.00 C ATOM 656 CG MET A 43 9.070 -3.840 -3.068 1.00 0.00 C ATOM 657 SD MET A 43 10.117 -4.504 -4.377 1.00 0.00 S ATOM 658 CE MET A 43 9.184 -4.028 -5.830 1.00 0.00 C ATOM 0 H MET A 43 6.544 -3.888 -2.433 1.00 0.00 H new ATOM 0 HA MET A 43 7.732 -6.310 -3.198 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.603 -4.346 -1.042 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.630 -5.510 -1.855 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.136 -3.483 -3.501 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.562 -2.978 -2.617 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.824 -4.090 -6.710 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.333 -4.699 -5.952 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.826 -3.005 -5.713 1.00 0.00 H new ATOM 668 N LYS A 44 6.709 -6.178 -0.061 1.00 0.00 N ATOM 669 CA LYS A 44 6.408 -6.994 1.109 1.00 0.00 C ATOM 670 C LYS A 44 5.674 -8.270 0.708 1.00 0.00 C ATOM 671 O LYS A 44 5.824 -9.310 1.350 1.00 0.00 O ATOM 672 CB LYS A 44 5.562 -6.199 2.107 1.00 0.00 C ATOM 673 CG LYS A 44 6.382 -5.306 3.022 1.00 0.00 C ATOM 674 CD LYS A 44 7.134 -6.117 4.064 1.00 0.00 C ATOM 675 CE LYS A 44 6.231 -6.512 5.222 1.00 0.00 C ATOM 676 NZ LYS A 44 6.960 -7.308 6.248 1.00 0.00 N ATOM 0 H LYS A 44 6.444 -5.197 0.030 1.00 0.00 H new ATOM 0 HA LYS A 44 7.351 -7.271 1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.848 -5.585 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.983 -6.894 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.090 -4.728 2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.725 -4.592 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.546 -7.013 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.976 -5.536 4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.819 -5.615 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.388 -7.091 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.310 -7.557 7.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.331 -8.177 5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.749 -6.746 6.627 1.00 0.00 H new ATOM 690 N ILE A 45 4.883 -8.183 -0.356 1.00 0.00 N ATOM 691 CA ILE A 45 4.129 -9.332 -0.842 1.00 0.00 C ATOM 692 C ILE A 45 4.834 -9.993 -2.022 1.00 0.00 C ATOM 693 O ILE A 45 5.352 -11.104 -1.907 1.00 0.00 O ATOM 694 CB ILE A 45 2.705 -8.931 -1.269 1.00 0.00 C ATOM 695 CG1 ILE A 45 2.077 -8.006 -0.224 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.845 -10.169 -1.473 1.00 0.00 C ATOM 697 CD1 ILE A 45 2.489 -8.330 1.195 1.00 0.00 C ATOM 0 H ILE A 45 4.748 -7.329 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 45 4.066 -10.040 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 45 2.763 -8.393 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.355 -6.976 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.992 -8.067 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.841 -9.869 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.286 -10.794 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.791 -10.732 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.006 -7.635 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.187 -9.349 1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.571 -8.240 1.289 1.00 0.00 H new ATOM 709 N HIS A 46 4.852 -9.300 -3.157 1.00 0.00 N ATOM 710 CA HIS A 46 5.496 -9.819 -4.358 1.00 0.00 C ATOM 711 C HIS A 46 6.092 -8.685 -5.188 1.00 0.00 C ATOM 712 O HIS A 46 5.365 -7.879 -5.770 1.00 0.00 O ATOM 713 CB HIS A 46 4.494 -10.610 -5.199 1.00 0.00 C ATOM 714 CG HIS A 46 5.118 -11.720 -5.988 1.00 0.00 C ATOM 715 ND1 HIS A 46 6.057 -11.506 -6.975 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.933 -13.059 -5.929 1.00 0.00 C ATOM 717 CE1 HIS A 46 6.422 -12.667 -7.490 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.755 -13.625 -6.873 1.00 0.00 N ATOM 0 H HIS A 46 4.428 -8.379 -3.270 1.00 0.00 H new ATOM 0 HA HIS A 46 6.303 -10.483 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.730 -11.027 -4.542 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.989 -9.929 -5.883 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.264 -13.585 -5.264 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.143 -12.808 -8.281 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.837 -14.623 -7.066 1.00 0.00 H new ATOM 727 N LYS A 47 7.418 -8.628 -5.237 1.00 0.00 N ATOM 728 CA LYS A 47 8.112 -7.593 -5.995 1.00 0.00 C ATOM 729 C LYS A 47 7.469 -7.398 -7.365 1.00 0.00 C ATOM 730 O LYS A 47 7.135 -6.279 -7.750 1.00 0.00 O ATOM 731 CB LYS A 47 9.589 -7.958 -6.161 1.00 0.00 C ATOM 732 CG LYS A 47 10.345 -7.025 -7.091 1.00 0.00 C ATOM 733 CD LYS A 47 11.541 -7.717 -7.725 1.00 0.00 C ATOM 734 CE LYS A 47 12.537 -8.182 -6.674 1.00 0.00 C ATOM 735 NZ LYS A 47 13.156 -7.036 -5.951 1.00 0.00 N ATOM 0 H LYS A 47 8.034 -9.286 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 47 8.035 -6.658 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.069 -7.949 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.662 -8.976 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.675 -6.667 -7.872 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.682 -6.150 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.201 -8.572 -8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.033 -7.034 -8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.033 -8.833 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.318 -8.775 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.945 -7.379 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.511 -6.342 -6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.445 -6.586 -5.341 1.00 0.00 H new ATOM 749 N ASN A 48 7.297 -8.496 -8.095 1.00 0.00 N ATOM 750 CA ASN A 48 6.693 -8.445 -9.421 1.00 0.00 C ATOM 751 C ASN A 48 5.366 -7.692 -9.385 1.00 0.00 C ATOM 752 O ASN A 48 4.977 -7.052 -10.363 1.00 0.00 O ATOM 753 CB ASN A 48 6.475 -9.860 -9.960 1.00 0.00 C ATOM 754 CG ASN A 48 5.372 -9.920 -10.998 1.00 0.00 C ATOM 755 OD1 ASN A 48 4.342 -10.561 -10.789 1.00 0.00 O ATOM 756 ND2 ASN A 48 5.583 -9.250 -12.125 1.00 0.00 N ATOM 0 H ASN A 48 7.567 -9.431 -7.790 1.00 0.00 H new ATOM 0 HA ASN A 48 7.375 -7.913 -10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.403 -10.226 -10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.229 -10.527 -9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.876 -9.253 -12.860 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.452 -8.732 -12.255 1.00 0.00 H new ATOM 763 N LEU A 49 4.676 -7.774 -8.253 1.00 0.00 N ATOM 764 CA LEU A 49 3.393 -7.100 -8.089 1.00 0.00 C ATOM 765 C LEU A 49 3.411 -5.726 -8.751 1.00 0.00 C ATOM 766 O LEU A 49 2.565 -5.421 -9.592 1.00 0.00 O ATOM 767 CB LEU A 49 3.055 -6.959 -6.604 1.00 0.00 C ATOM 768 CG LEU A 49 1.703 -6.322 -6.280 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.585 -7.038 -7.021 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.450 -6.340 -4.780 1.00 0.00 C ATOM 0 H LEU A 49 4.983 -8.300 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 49 2.628 -7.706 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.086 -7.949 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.836 -6.366 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 49 1.723 -5.284 -6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.370 -6.571 -6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.759 -6.971 -8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.563 -8.086 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.483 -5.883 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.450 -7.370 -4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.235 -5.780 -4.272 1.00 0.00 H new ATOM 782 N ILE A 50 4.380 -4.902 -8.367 1.00 0.00 N ATOM 783 CA ILE A 50 4.509 -3.562 -8.925 1.00 0.00 C ATOM 784 C ILE A 50 4.239 -3.564 -10.426 1.00 0.00 C ATOM 785 O ILE A 50 3.550 -2.685 -10.945 1.00 0.00 O ATOM 786 CB ILE A 50 5.911 -2.978 -8.669 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.917 -1.472 -8.938 1.00 0.00 C ATOM 788 CG2 ILE A 50 6.945 -3.681 -9.536 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.075 -0.681 -7.962 1.00 0.00 C ATOM 0 H ILE A 50 5.087 -5.139 -7.671 1.00 0.00 H new ATOM 0 HA ILE A 50 3.768 -2.939 -8.425 1.00 0.00 H new ATOM 0 HB ILE A 50 6.171 -3.142 -7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.944 -1.108 -8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.554 -1.290 -9.949 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.930 -3.257 -9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.955 -4.745 -9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.691 -3.546 -10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.126 0.378 -8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.040 -1.018 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.452 -0.833 -6.950 1.00 0.00 H new ATOM 801 N LYS A 51 4.784 -4.558 -11.119 1.00 0.00 N ATOM 802 CA LYS A 51 4.599 -4.678 -12.560 1.00 0.00 C ATOM 803 C LYS A 51 3.125 -4.860 -12.907 1.00 0.00 C ATOM 804 O LYS A 51 2.622 -4.254 -13.853 1.00 0.00 O ATOM 805 CB LYS A 51 5.410 -5.857 -13.102 1.00 0.00 C ATOM 806 CG LYS A 51 6.879 -5.814 -12.716 1.00 0.00 C ATOM 807 CD LYS A 51 7.747 -6.522 -13.743 1.00 0.00 C ATOM 808 CE LYS A 51 9.141 -5.916 -13.806 1.00 0.00 C ATOM 809 NZ LYS A 51 10.092 -6.791 -14.546 1.00 0.00 N ATOM 0 H LYS A 51 5.358 -5.293 -10.705 1.00 0.00 H new ATOM 0 HA LYS A 51 4.952 -3.757 -13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.974 -6.786 -12.735 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.329 -5.874 -14.189 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.200 -4.777 -12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.014 -6.281 -11.741 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.820 -7.580 -13.492 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.277 -6.459 -14.724 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.092 -4.941 -14.291 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.511 -5.751 -12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.031 -6.344 -14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.158 -7.713 -14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.752 -6.928 -15.519 1.00 0.00 H new ATOM 823 N GLU A 52 2.438 -5.696 -12.135 1.00 0.00 N ATOM 824 CA GLU A 52 1.021 -5.955 -12.361 1.00 0.00 C ATOM 825 C GLU A 52 0.157 -4.936 -11.624 1.00 0.00 C ATOM 826 O GLU A 52 -1.059 -4.889 -11.807 1.00 0.00 O ATOM 827 CB GLU A 52 0.660 -7.371 -11.907 1.00 0.00 C ATOM 828 CG GLU A 52 1.684 -8.419 -12.309 1.00 0.00 C ATOM 829 CD GLU A 52 1.633 -8.748 -13.788 1.00 0.00 C ATOM 830 OE1 GLU A 52 0.522 -8.991 -14.303 1.00 0.00 O ATOM 831 OE2 GLU A 52 2.704 -8.762 -14.430 1.00 0.00 O ATOM 0 H GLU A 52 2.840 -6.205 -11.348 1.00 0.00 H new ATOM 0 HA GLU A 52 0.827 -5.864 -13.430 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.551 -7.379 -10.822 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.309 -7.642 -12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.682 -8.063 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.513 -9.328 -11.732 1.00 0.00 H new ATOM 838 N PHE A 53 0.795 -4.123 -10.788 1.00 0.00 N ATOM 839 CA PHE A 53 0.085 -3.106 -10.021 1.00 0.00 C ATOM 840 C PHE A 53 -0.453 -2.010 -10.937 1.00 0.00 C ATOM 841 O PHE A 53 0.312 -1.241 -11.520 1.00 0.00 O ATOM 842 CB PHE A 53 1.009 -2.496 -8.966 1.00 0.00 C ATOM 843 CG PHE A 53 0.628 -1.097 -8.571 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.350 -0.875 -7.615 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.248 -0.005 -9.156 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.703 0.410 -7.250 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.900 1.283 -8.795 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.078 1.491 -7.841 1.00 0.00 C ATOM 0 H PHE A 53 1.802 -4.149 -10.625 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.758 -3.585 -9.523 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.003 -3.130 -8.079 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.030 -2.492 -9.348 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.842 -1.716 -7.150 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.012 -0.162 -9.903 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.467 0.569 -6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.392 2.126 -9.258 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.353 2.496 -7.558 1.00 0.00 H new ATOM 858 N LYS A 54 -1.774 -1.946 -11.060 1.00 0.00 N ATOM 859 CA LYS A 54 -2.416 -0.945 -11.904 1.00 0.00 C ATOM 860 C LYS A 54 -2.593 0.369 -11.151 1.00 0.00 C ATOM 861 O LYS A 54 -2.128 1.419 -11.597 1.00 0.00 O ATOM 862 CB LYS A 54 -3.776 -1.454 -12.389 1.00 0.00 C ATOM 863 CG LYS A 54 -4.312 -0.701 -13.594 1.00 0.00 C ATOM 864 CD LYS A 54 -5.676 -1.223 -14.016 1.00 0.00 C ATOM 865 CE LYS A 54 -6.475 -0.161 -14.756 1.00 0.00 C ATOM 866 NZ LYS A 54 -7.877 -0.595 -15.005 1.00 0.00 N ATOM 0 H LYS A 54 -2.421 -2.576 -10.586 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.773 -0.766 -12.766 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.690 -2.511 -12.640 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.495 -1.377 -11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.385 0.361 -13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.612 -0.796 -14.424 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.550 -2.097 -14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.230 -1.549 -13.136 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.478 0.761 -14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.990 0.062 -15.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.388 0.156 -15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.875 -1.461 -15.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.348 -0.784 -14.097 1.00 0.00 H new ATOM 880 N TYR A 55 -3.266 0.305 -10.008 1.00 0.00 N ATOM 881 CA TYR A 55 -3.505 1.491 -9.193 1.00 0.00 C ATOM 882 C TYR A 55 -3.854 1.105 -7.759 1.00 0.00 C ATOM 883 O TYR A 55 -4.024 -0.072 -7.445 1.00 0.00 O ATOM 884 CB TYR A 55 -4.632 2.331 -9.796 1.00 0.00 C ATOM 885 CG TYR A 55 -5.947 1.592 -9.904 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.754 1.406 -8.789 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.381 1.080 -11.120 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.956 0.731 -8.882 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.582 0.405 -11.223 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.366 0.233 -10.101 1.00 0.00 C ATOM 891 OH TYR A 55 -9.562 -0.440 -10.199 1.00 0.00 O ATOM 0 H TYR A 55 -3.656 -0.556 -9.624 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.589 2.082 -9.178 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.775 3.223 -9.186 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.332 2.668 -10.788 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.437 1.796 -7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.769 1.212 -12.000 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.571 0.594 -8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.905 0.014 -12.177 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.702 -0.724 -11.126 1.00 0.00 H new ATOM 901 N ALA A 56 -3.959 2.108 -6.893 1.00 0.00 N ATOM 902 CA ALA A 56 -4.290 1.876 -5.493 1.00 0.00 C ATOM 903 C ALA A 56 -5.349 2.860 -5.009 1.00 0.00 C ATOM 904 O ALA A 56 -5.243 4.066 -5.238 1.00 0.00 O ATOM 905 CB ALA A 56 -3.040 1.976 -4.631 1.00 0.00 C ATOM 0 H ALA A 56 -3.820 3.089 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.699 0.870 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.302 1.801 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.315 1.229 -4.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.606 2.971 -4.734 1.00 0.00 H new ATOM 911 N LEU A 57 -6.372 2.340 -4.339 1.00 0.00 N ATOM 912 CA LEU A 57 -7.452 3.173 -3.822 1.00 0.00 C ATOM 913 C LEU A 57 -7.321 3.362 -2.314 1.00 0.00 C ATOM 914 O LEU A 57 -7.786 2.532 -1.532 1.00 0.00 O ATOM 915 CB LEU A 57 -8.808 2.549 -4.154 1.00 0.00 C ATOM 916 CG LEU A 57 -9.012 2.119 -5.608 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.265 1.268 -5.743 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.091 3.337 -6.517 1.00 0.00 C ATOM 0 H LEU A 57 -6.476 1.345 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.383 4.151 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.950 1.677 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.588 3.265 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.156 1.517 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.393 0.972 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.169 0.378 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.132 1.844 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.236 3.013 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.929 3.965 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.165 3.907 -6.443 1.00 0.00 H new ATOM 930 N VAL A 58 -6.688 4.459 -1.913 1.00 0.00 N ATOM 931 CA VAL A 58 -6.499 4.758 -0.498 1.00 0.00 C ATOM 932 C VAL A 58 -7.792 5.259 0.135 1.00 0.00 C ATOM 933 O VAL A 58 -8.573 5.967 -0.502 1.00 0.00 O ATOM 934 CB VAL A 58 -5.396 5.813 -0.290 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.017 5.907 1.180 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.180 5.488 -1.144 1.00 0.00 C ATOM 0 H VAL A 58 -6.297 5.156 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.198 3.828 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.782 6.783 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.237 6.657 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.892 6.191 1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.650 4.940 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.411 6.244 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.790 4.509 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.466 5.478 -2.196 1.00 0.00 H new ATOM 946 N TRP A 59 -8.012 4.888 1.391 1.00 0.00 N ATOM 947 CA TRP A 59 -9.211 5.300 2.111 1.00 0.00 C ATOM 948 C TRP A 59 -8.857 5.857 3.485 1.00 0.00 C ATOM 949 O TRP A 59 -8.779 5.116 4.464 1.00 0.00 O ATOM 950 CB TRP A 59 -10.174 4.120 2.258 1.00 0.00 C ATOM 951 CG TRP A 59 -10.848 3.741 0.974 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.910 4.370 0.389 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.508 2.644 0.119 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.250 3.730 -0.779 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.405 2.669 -0.967 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.532 1.645 0.164 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.353 1.732 -1.996 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.483 0.716 -0.858 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.388 0.765 -1.926 1.00 0.00 C ATOM 0 H TRP A 59 -7.376 4.303 1.932 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.697 6.087 1.535 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.626 3.259 2.641 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.933 4.370 2.999 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.409 5.242 0.786 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.009 4.001 -1.404 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.829 1.600 0.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.050 1.768 -2.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.734 -0.061 -0.833 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.323 0.025 -2.710 1.00 0.00 H new ATOM 970 N GLY A 60 -8.642 7.168 3.551 1.00 0.00 N ATOM 971 CA GLY A 60 -8.298 7.801 4.810 1.00 0.00 C ATOM 972 C GLY A 60 -7.982 9.275 4.651 1.00 0.00 C ATOM 973 O GLY A 60 -8.311 9.881 3.631 1.00 0.00 O ATOM 0 H GLY A 60 -8.700 7.802 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.125 7.683 5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.437 7.293 5.245 1.00 0.00 H new ATOM 977 N LEU A 61 -7.345 9.854 5.662 1.00 0.00 N ATOM 978 CA LEU A 61 -6.986 11.268 5.631 1.00 0.00 C ATOM 979 C LEU A 61 -5.924 11.537 4.570 1.00 0.00 C ATOM 980 O LEU A 61 -5.818 12.648 4.051 1.00 0.00 O ATOM 981 CB LEU A 61 -6.477 11.715 7.003 1.00 0.00 C ATOM 982 CG LEU A 61 -7.325 11.294 8.203 1.00 0.00 C ATOM 983 CD1 LEU A 61 -6.463 11.178 9.451 1.00 0.00 C ATOM 984 CD2 LEU A 61 -8.461 12.281 8.427 1.00 0.00 C ATOM 0 H LEU A 61 -7.066 9.367 6.514 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.879 11.839 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.469 11.323 7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.398 12.802 7.003 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.757 10.316 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.084 10.877 10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.686 10.432 9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.001 12.142 9.665 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.054 11.965 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.050 13.273 8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.095 12.314 7.541 1.00 0.00 H new ATOM 996 N SER A 62 -5.141 10.511 4.250 1.00 0.00 N ATOM 997 CA SER A 62 -4.086 10.637 3.251 1.00 0.00 C ATOM 998 C SER A 62 -4.610 11.319 1.991 1.00 0.00 C ATOM 999 O SER A 62 -3.844 11.904 1.225 1.00 0.00 O ATOM 1000 CB SER A 62 -3.520 9.260 2.901 1.00 0.00 C ATOM 1001 OG SER A 62 -2.273 9.375 2.237 1.00 0.00 O ATOM 0 H SER A 62 -5.217 9.584 4.668 1.00 0.00 H new ATOM 0 HA SER A 62 -3.291 11.252 3.673 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.398 8.671 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.226 8.724 2.266 1.00 0.00 H new ATOM 0 HG SER A 62 -1.931 8.481 2.025 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.920 11.240 1.784 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.548 11.851 0.618 1.00 0.00 C ATOM 1009 C VAL A 63 -7.799 12.629 1.012 1.00 0.00 C ATOM 1010 O VAL A 63 -8.415 12.356 2.042 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.926 10.792 -0.435 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.682 10.276 -1.143 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.695 9.650 0.211 1.00 0.00 C ATOM 0 H VAL A 63 -6.568 10.759 2.408 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.818 12.536 0.188 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.571 11.258 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.968 9.529 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.176 11.104 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.009 9.825 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.954 8.911 -0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.077 9.182 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.606 10.037 0.667 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.170 13.600 0.184 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.348 14.418 0.443 1.00 0.00 C ATOM 1025 C LYS A 64 -10.621 13.686 0.028 1.00 0.00 C ATOM 1026 O LYS A 64 -11.546 13.528 0.825 1.00 0.00 O ATOM 1027 CB LYS A 64 -9.245 15.749 -0.305 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.954 16.500 -0.035 1.00 0.00 C ATOM 1029 CD LYS A 64 -8.092 17.438 1.153 1.00 0.00 C ATOM 1030 CE LYS A 64 -7.716 16.747 2.455 1.00 0.00 C ATOM 1031 NZ LYS A 64 -6.267 16.899 2.765 1.00 0.00 N ATOM 0 H LYS A 64 -7.671 13.839 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.395 14.613 1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.330 15.562 -1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.088 16.380 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.151 15.788 0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.672 17.071 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.455 18.310 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.118 17.800 1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.308 17.163 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.964 15.688 2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.051 16.415 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.702 16.480 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.035 17.909 2.853 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.660 13.240 -1.224 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.818 12.522 -1.744 1.00 0.00 C ATOM 1047 C HIS A 65 -11.462 11.073 -2.061 1.00 0.00 C ATOM 1048 O HIS A 65 -10.611 10.804 -2.907 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.352 13.215 -2.998 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.603 14.679 -2.813 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.865 15.214 -2.664 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -11.744 15.724 -2.751 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -13.772 16.524 -2.520 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.495 16.859 -2.569 1.00 0.00 N ATOM 0 H HIS A 65 -9.903 13.363 -1.897 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.593 12.527 -0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.639 13.077 -3.811 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.280 12.731 -3.303 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.668 15.674 -2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.599 17.205 -2.385 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.127 17.807 -2.485 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.119 10.143 -1.374 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.871 8.722 -1.582 1.00 0.00 C ATOM 1065 C ASN A 66 -13.133 8.013 -2.064 1.00 0.00 C ATOM 1066 O ASN A 66 -14.256 8.443 -1.797 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.372 8.075 -0.288 1.00 0.00 C ATOM 1068 CG ASN A 66 -12.256 8.403 0.900 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -13.300 7.782 1.101 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -11.841 9.383 1.694 1.00 0.00 N ATOM 0 H ASN A 66 -12.827 10.349 -0.669 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.104 8.622 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.330 6.994 -0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.355 8.412 -0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.394 9.648 2.509 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.969 9.871 1.489 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.948 6.901 -2.790 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.616 6.380 -3.113 1.00 0.00 C ATOM 1079 C PRO A 67 -10.871 7.269 -4.104 1.00 0.00 C ATOM 1080 O PRO A 67 -11.487 7.994 -4.884 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.912 5.014 -3.738 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.293 5.137 -4.281 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.023 6.066 -3.351 1.00 0.00 C ATOM 0 HA PRO A 67 -10.973 6.332 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.197 4.776 -4.525 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.848 4.217 -2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.279 5.533 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.783 4.164 -4.325 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.763 6.666 -3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.555 5.519 -2.572 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.544 7.206 -4.066 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.716 8.005 -4.961 1.00 0.00 C ATOM 1093 C GLN A 68 -7.695 7.133 -5.684 1.00 0.00 C ATOM 1094 O GLN A 68 -6.999 6.329 -5.063 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.000 9.107 -4.179 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.202 10.058 -5.058 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.975 11.406 -4.403 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.909 12.031 -3.901 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.727 11.862 -4.404 1.00 0.00 N ATOM 0 H GLN A 68 -9.020 6.610 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.368 8.462 -5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.737 9.679 -3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.329 8.648 -3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.239 9.606 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.727 10.201 -6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.983 11.311 -4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.513 12.763 -3.977 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.612 7.295 -7.000 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.675 6.523 -7.808 1.00 0.00 C ATOM 1110 C LYS A 69 -5.252 7.045 -7.639 1.00 0.00 C ATOM 1111 O LYS A 69 -4.909 8.116 -8.140 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.078 6.578 -9.284 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.687 5.337 -10.068 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.416 5.266 -11.399 1.00 0.00 C ATOM 1115 CE LYS A 69 -6.831 4.187 -12.297 1.00 0.00 C ATOM 1116 NZ LYS A 69 -5.678 4.691 -13.092 1.00 0.00 N ATOM 0 H LYS A 69 -8.182 7.954 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.706 5.488 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.157 6.716 -9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.615 7.450 -9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.611 5.339 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.914 4.448 -9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.473 5.063 -11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.354 6.232 -11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.510 3.342 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.604 3.818 -12.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.308 3.925 -13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.989 5.481 -13.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.930 5.020 -12.449 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.426 6.280 -6.933 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.039 6.664 -6.700 1.00 0.00 C ATOM 1132 C VAL A 70 -2.083 5.774 -7.488 1.00 0.00 C ATOM 1133 O VAL A 70 -2.466 4.711 -7.975 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.678 6.588 -5.205 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.652 7.414 -4.378 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.661 5.141 -4.734 1.00 0.00 C ATOM 0 H VAL A 70 -4.693 5.390 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.935 7.695 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.679 7.003 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.381 7.348 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.610 8.455 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.663 7.031 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.404 5.106 -3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.646 4.698 -4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.921 4.581 -5.306 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.835 6.217 -7.609 1.00 0.00 N ATOM 1147 CA GLY A 71 0.157 5.449 -8.338 1.00 0.00 C ATOM 1148 C GLY A 71 1.126 4.733 -7.419 1.00 0.00 C ATOM 1149 O GLY A 71 0.818 4.479 -6.254 1.00 0.00 O ATOM 0 H GLY A 71 -0.494 7.094 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.347 4.718 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.712 6.114 -9.000 1.00 0.00 H new ATOM 1153 N LYS A 72 2.303 4.404 -7.942 1.00 0.00 N ATOM 1154 CA LYS A 72 3.322 3.712 -7.161 1.00 0.00 C ATOM 1155 C LYS A 72 4.190 4.707 -6.397 1.00 0.00 C ATOM 1156 O LYS A 72 4.912 4.332 -5.473 1.00 0.00 O ATOM 1157 CB LYS A 72 4.197 2.852 -8.076 1.00 0.00 C ATOM 1158 CG LYS A 72 4.905 3.644 -9.161 1.00 0.00 C ATOM 1159 CD LYS A 72 6.251 4.164 -8.683 1.00 0.00 C ATOM 1160 CE LYS A 72 7.292 3.056 -8.636 1.00 0.00 C ATOM 1161 NZ LYS A 72 8.035 2.938 -9.921 1.00 0.00 N ATOM 0 H LYS A 72 2.575 4.606 -8.904 1.00 0.00 H new ATOM 0 HA LYS A 72 2.818 3.068 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.942 2.335 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.577 2.086 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.048 3.013 -10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.279 4.481 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.593 4.958 -9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.141 4.604 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.995 3.253 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.803 2.108 -8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.735 2.172 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.368 2.725 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.522 3.834 -10.124 1.00 0.00 H new ATOM 1175 N ASP A 73 4.113 5.974 -6.788 1.00 0.00 N ATOM 1176 CA ASP A 73 4.891 7.023 -6.138 1.00 0.00 C ATOM 1177 C ASP A 73 4.172 7.541 -4.896 1.00 0.00 C ATOM 1178 O ASP A 73 4.788 8.143 -4.016 1.00 0.00 O ATOM 1179 CB ASP A 73 5.148 8.174 -7.111 1.00 0.00 C ATOM 1180 CG ASP A 73 6.263 9.089 -6.644 1.00 0.00 C ATOM 1181 OD1 ASP A 73 6.488 9.172 -5.419 1.00 0.00 O ATOM 1182 OD2 ASP A 73 6.911 9.721 -7.505 1.00 0.00 O ATOM 0 H ASP A 73 3.520 6.300 -7.551 1.00 0.00 H new ATOM 0 HA ASP A 73 5.846 6.597 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.401 7.768 -8.090 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.233 8.754 -7.233 1.00 0.00 H new ATOM 1187 N HIS A 74 2.866 7.304 -4.832 1.00 0.00 N ATOM 1188 CA HIS A 74 2.063 7.747 -3.697 1.00 0.00 C ATOM 1189 C HIS A 74 2.689 7.297 -2.380 1.00 0.00 C ATOM 1190 O HIS A 74 3.347 6.258 -2.316 1.00 0.00 O ATOM 1191 CB HIS A 74 0.639 7.204 -3.811 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.275 7.688 -2.727 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.966 8.878 -2.801 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.610 7.133 -1.538 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.686 9.036 -1.704 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.488 7.991 -0.922 1.00 0.00 N ATOM 0 H HIS A 74 2.341 6.808 -5.552 1.00 0.00 H new ATOM 0 HA HIS A 74 2.030 8.836 -3.709 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.226 7.491 -4.778 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.671 6.115 -3.788 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.253 6.192 -1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.327 9.877 -1.485 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.917 7.845 -0.008 1.00 0.00 H new ATOM 1205 N THR A 75 2.480 8.086 -1.331 1.00 0.00 N ATOM 1206 CA THR A 75 3.025 7.770 -0.017 1.00 0.00 C ATOM 1207 C THR A 75 1.948 7.206 0.903 1.00 0.00 C ATOM 1208 O THR A 75 0.835 7.730 0.967 1.00 0.00 O ATOM 1209 CB THR A 75 3.651 9.012 0.645 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.722 9.511 -0.164 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.171 8.680 2.035 1.00 0.00 C ATOM 0 H THR A 75 1.937 8.949 -1.366 1.00 0.00 H new ATOM 0 HA THR A 75 3.800 7.019 -0.168 1.00 0.00 H new ATOM 0 HB THR A 75 2.879 9.776 0.736 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.114 10.302 0.263 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.608 9.572 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.348 8.328 2.657 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.930 7.901 1.963 1.00 0.00 H new ATOM 1219 N LEU A 76 2.286 6.137 1.615 1.00 0.00 N ATOM 1220 CA LEU A 76 1.347 5.502 2.534 1.00 0.00 C ATOM 1221 C LEU A 76 1.550 6.010 3.958 1.00 0.00 C ATOM 1222 O LEU A 76 2.678 6.262 4.382 1.00 0.00 O ATOM 1223 CB LEU A 76 1.514 3.982 2.494 1.00 0.00 C ATOM 1224 CG LEU A 76 1.183 3.305 1.164 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.914 1.977 1.045 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.319 3.103 1.028 1.00 0.00 C ATOM 0 H LEU A 76 3.203 5.692 1.574 1.00 0.00 H new ATOM 0 HA LEU A 76 0.336 5.759 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.545 3.743 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.881 3.547 3.268 1.00 0.00 H new ATOM 0 HG LEU A 76 1.517 3.954 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.666 1.509 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.989 2.148 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.611 1.321 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.536 2.620 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.677 2.475 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.821 4.070 1.068 1.00 0.00 H new ATOM 1238 N GLU A 77 0.451 6.157 4.691 1.00 0.00 N ATOM 1239 CA GLU A 77 0.510 6.634 6.067 1.00 0.00 C ATOM 1240 C GLU A 77 -0.020 5.577 7.032 1.00 0.00 C ATOM 1241 O GLU A 77 -0.340 4.458 6.630 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.295 7.926 6.218 1.00 0.00 C ATOM 1243 CG GLU A 77 -1.759 7.779 5.840 1.00 0.00 C ATOM 1244 CD GLU A 77 -2.630 8.864 6.442 1.00 0.00 C ATOM 1245 OE1 GLU A 77 -2.107 9.669 7.242 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -3.834 8.909 6.114 1.00 0.00 O ATOM 0 H GLU A 77 -0.490 5.953 4.355 1.00 0.00 H new ATOM 0 HA GLU A 77 1.553 6.834 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.228 8.267 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.156 8.700 5.597 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.854 7.803 4.754 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.119 6.805 6.170 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.108 5.939 8.307 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.599 5.024 9.331 1.00 0.00 C ATOM 1255 C ASP A 78 -2.105 4.821 9.201 1.00 0.00 C ATOM 1256 O ASP A 78 -2.817 5.690 8.699 1.00 0.00 O ATOM 1257 CB ASP A 78 -0.262 5.555 10.725 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.893 6.906 10.998 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -2.138 6.994 10.978 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -0.141 7.875 11.232 1.00 0.00 O ATOM 0 H ASP A 78 0.155 6.861 8.657 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.107 4.062 9.189 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.602 4.840 11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.820 5.635 10.828 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.583 3.667 9.656 1.00 0.00 N ATOM 1266 CA GLU A 79 -4.005 3.349 9.588 1.00 0.00 C ATOM 1267 C GLU A 79 -4.585 3.740 8.232 1.00 0.00 C ATOM 1268 O GLU A 79 -5.594 4.441 8.156 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.764 4.067 10.706 1.00 0.00 C ATOM 1270 CG GLU A 79 -4.266 3.720 12.099 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.928 4.554 13.179 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -5.992 4.138 13.683 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -4.380 5.624 13.521 1.00 0.00 O ATOM 0 H GLU A 79 -2.007 2.937 10.075 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.118 2.272 9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.681 5.144 10.557 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.822 3.816 10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.452 2.664 12.295 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.187 3.867 12.142 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.940 3.282 7.165 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.392 3.582 5.811 1.00 0.00 C ATOM 1282 C ASP A 80 -4.731 2.302 5.055 1.00 0.00 C ATOM 1283 O ASP A 80 -3.958 1.344 5.056 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.319 4.367 5.055 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.908 5.301 4.016 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -5.151 5.348 3.898 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.128 5.984 3.321 1.00 0.00 O ATOM 0 H ASP A 80 -3.103 2.702 7.211 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.294 4.190 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.728 4.945 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.638 3.669 4.567 1.00 0.00 H new ATOM 1292 N VAL A 81 -5.893 2.292 4.409 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.335 1.129 3.648 1.00 0.00 C ATOM 1294 C VAL A 81 -6.088 1.322 2.156 1.00 0.00 C ATOM 1295 O VAL A 81 -6.471 2.341 1.580 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.831 0.844 3.877 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.306 -0.278 2.967 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.091 0.505 5.337 1.00 0.00 C ATOM 0 H VAL A 81 -6.545 3.076 4.397 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.752 0.279 4.003 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.397 1.743 3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.365 -0.465 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.156 0.010 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.737 -1.184 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.153 0.307 5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.516 -0.379 5.613 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.790 1.344 5.964 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.446 0.338 1.536 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.150 0.399 0.110 1.00 0.00 C ATOM 1310 C ILE A 82 -5.528 -0.904 -0.586 1.00 0.00 C ATOM 1311 O ILE A 82 -5.170 -1.989 -0.130 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.658 0.689 -0.142 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.371 0.727 -1.645 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.792 -0.359 0.541 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.903 0.880 -1.976 1.00 0.00 C ATOM 0 H ILE A 82 -5.121 -0.511 1.999 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.745 1.214 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.416 1.664 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.744 -0.190 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.924 1.553 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.741 -0.140 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.980 -0.343 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.034 -1.345 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.774 0.899 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.529 1.811 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.347 0.040 -1.559 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.253 -0.787 -1.694 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.679 -1.956 -2.454 1.00 0.00 C ATOM 1329 C GLN A 83 -5.805 -2.151 -3.689 1.00 0.00 C ATOM 1330 O GLN A 83 -5.979 -1.468 -4.699 1.00 0.00 O ATOM 1331 CB GLN A 83 -8.144 -1.814 -2.870 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.613 -2.898 -3.827 1.00 0.00 C ATOM 1333 CD GLN A 83 -10.082 -2.769 -4.180 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.863 -2.183 -3.431 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.465 -3.318 -5.327 1.00 0.00 N ATOM 0 H GLN A 83 -6.557 0.105 -2.085 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.573 -2.832 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.770 -1.833 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.287 -0.840 -3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.019 -2.854 -4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.436 -3.875 -3.378 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.783 -3.794 -5.917 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.441 -3.263 -5.618 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.865 -3.085 -3.600 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.964 -3.370 -4.710 1.00 0.00 C ATOM 1346 C ILE A 84 -4.686 -4.118 -5.826 1.00 0.00 C ATOM 1347 O ILE A 84 -5.025 -5.292 -5.682 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.751 -4.200 -4.252 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.838 -3.360 -3.357 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.983 -4.726 -5.456 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.102 -2.267 -4.101 1.00 0.00 C ATOM 0 H ILE A 84 -4.707 -3.658 -2.771 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.614 -2.409 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.111 -5.052 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.435 -2.910 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.111 -4.015 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.128 -5.311 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.637 -5.357 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.632 -3.888 -6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.474 -1.712 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.479 -2.711 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.823 -1.589 -4.559 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.916 -3.429 -6.940 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.594 -4.029 -8.083 1.00 0.00 C ATOM 1365 C VAL A 85 -4.598 -4.434 -9.163 1.00 0.00 C ATOM 1366 O VAL A 85 -3.578 -3.774 -9.363 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.629 -3.063 -8.690 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -7.675 -2.680 -7.655 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -5.940 -1.827 -9.248 1.00 0.00 C ATOM 0 H VAL A 85 -4.643 -2.456 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.108 -4.918 -7.716 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.136 -3.570 -9.511 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.397 -1.997 -8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.190 -3.576 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.189 -2.191 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.686 -1.155 -9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.405 -1.316 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.234 -2.123 -10.024 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.900 -5.525 -9.859 1.00 0.00 N ATOM 1380 CA LYS A 86 -4.033 -6.020 -10.921 1.00 0.00 C ATOM 1381 C LYS A 86 -4.629 -5.722 -12.293 1.00 0.00 C ATOM 1382 O LYS A 86 -5.808 -5.976 -12.538 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.810 -7.526 -10.767 1.00 0.00 C ATOM 1384 CG LYS A 86 -3.220 -7.919 -9.423 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.896 -9.402 -9.368 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.498 -9.834 -7.966 1.00 0.00 C ATOM 1387 NZ LYS A 86 -2.691 -11.297 -7.760 1.00 0.00 N ATOM 0 H LYS A 86 -5.740 -6.084 -9.706 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.074 -5.507 -10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.761 -8.041 -10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.146 -7.870 -11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.314 -7.341 -9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.924 -7.670 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.762 -9.977 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.086 -9.624 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.453 -9.577 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.089 -9.283 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.408 -11.552 -6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.692 -11.539 -7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.107 -11.823 -8.441 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.806 -5.183 -13.187 1.00 0.00 N ATOM 1402 CA LYS A 87 -4.250 -4.853 -14.535 1.00 0.00 C ATOM 1403 C LYS A 87 -4.330 -6.104 -15.404 1.00 0.00 C ATOM 1404 O LYS A 87 -3.732 -6.165 -16.478 1.00 0.00 O ATOM 1405 CB LYS A 87 -3.300 -3.836 -15.173 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.861 -4.315 -15.251 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.886 -3.149 -15.278 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.761 -2.559 -16.674 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.321 -1.539 -16.750 1.00 0.00 N ATOM 0 H LYS A 87 -2.827 -4.966 -13.001 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.246 -4.417 -14.465 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.652 -3.603 -16.178 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.335 -2.909 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.642 -4.954 -14.395 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.727 -4.923 -16.145 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.221 -2.378 -14.584 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.093 -3.484 -14.934 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.559 -3.357 -17.389 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.709 -2.105 -16.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.374 -1.161 -17.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.116 -0.765 -16.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.230 -1.978 -16.499 1.00 0.00 H new