USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 19:sc= 0.72 USER MOD Single : A 7 TYR OH : rot -120:sc= -3.08! USER MOD Single : A 9 MET CE :methyl -105:sc= -13.1! (180deg=-16.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.356 K(o=0.36,f=-5.4!) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0039) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc=-0.00178 X(o=-0.0018,f=0) USER MOD Single : A 54 ASN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 154:sc= -0.0597 (180deg=-0.437) USER MOD Single : A 65 CYS SG : rot 94:sc= -3.21! USER MOD Single : A 68 ASN : amide:sc= -16! C(o=-16!,f=-18!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= -13.1! (180deg=-13.1!) USER MOD Single : A 88 LYS NZ :NH3+ -162:sc= -0.394 (180deg=-0.601) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= -2.2 (180deg=-2.63) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -3.25! C(o=-3.3!,f=-3.9!) USER MOD Single : A 105 ASN : amide:sc= -3.25! C(o=-3.2!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 67 N THR A 6 -1.851 17.146 -5.776 1.00 0.00 N ATOM 68 CA THR A 6 -1.717 15.997 -4.897 1.00 0.00 C ATOM 69 C THR A 6 -2.588 14.841 -5.392 1.00 0.00 C ATOM 70 O THR A 6 -3.539 15.054 -6.144 1.00 0.00 O ATOM 71 CB THR A 6 -2.059 16.448 -3.474 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.253 17.854 -3.594 1.00 0.00 O ATOM 73 CG2 THR A 6 -0.872 16.316 -2.518 1.00 0.00 C ATOM 0 HA THR A 6 -0.696 15.617 -4.898 1.00 0.00 H new ATOM 0 HB THR A 6 -2.896 15.860 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.418 18.082 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.167 16.649 -1.523 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.555 15.274 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.046 16.931 -2.876 1.00 0.00 H new ATOM 81 N TYR A 7 -2.232 13.644 -4.953 1.00 0.00 N ATOM 82 CA TYR A 7 -2.969 12.454 -5.344 1.00 0.00 C ATOM 83 C TYR A 7 -3.331 11.607 -4.122 1.00 0.00 C ATOM 84 O TYR A 7 -3.191 12.059 -2.986 1.00 0.00 O ATOM 85 CB TYR A 7 -2.028 11.651 -6.245 1.00 0.00 C ATOM 86 CG TYR A 7 -1.723 12.324 -7.583 1.00 0.00 C ATOM 87 CD1 TYR A 7 -2.729 12.964 -8.278 1.00 0.00 C ATOM 88 CD2 TYR A 7 -0.442 12.292 -8.097 1.00 0.00 C ATOM 89 CE1 TYR A 7 -2.443 13.599 -9.539 1.00 0.00 C ATOM 90 CE2 TYR A 7 -0.156 12.926 -9.358 1.00 0.00 C ATOM 91 CZ TYR A 7 -1.170 13.548 -10.017 1.00 0.00 C ATOM 92 OH TYR A 7 -0.900 14.147 -11.208 1.00 0.00 O ATOM 0 H TYR A 7 -1.443 13.472 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.897 12.726 -5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.091 11.480 -5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.470 10.673 -6.434 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.731 12.989 -7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.346 11.791 -7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.221 14.104 -10.092 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.842 12.908 -9.771 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.563 13.479 -11.841 1.00 0.00 H new ATOM 101 N ARG A 8 -3.790 10.395 -4.397 1.00 0.00 N ATOM 102 CA ARG A 8 -4.174 9.481 -3.334 1.00 0.00 C ATOM 103 C ARG A 8 -3.723 8.058 -3.668 1.00 0.00 C ATOM 104 O ARG A 8 -3.549 7.718 -4.837 1.00 0.00 O ATOM 105 CB ARG A 8 -5.689 9.491 -3.119 1.00 0.00 C ATOM 106 CG ARG A 8 -6.392 8.591 -4.135 1.00 0.00 C ATOM 107 CD ARG A 8 -6.512 9.285 -5.494 1.00 0.00 C ATOM 108 NE ARG A 8 -7.053 10.651 -5.317 1.00 0.00 N ATOM 109 CZ ARG A 8 -6.981 11.613 -6.248 1.00 0.00 C ATOM 110 NH1 ARG A 8 -6.393 11.362 -7.426 1.00 0.00 N ATOM 111 NH2 ARG A 8 -7.500 12.823 -6.001 1.00 0.00 N ATOM 0 H ARG A 8 -3.905 10.024 -5.340 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.686 9.815 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.919 9.153 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.066 10.510 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.837 7.660 -4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.384 8.329 -3.768 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.535 9.331 -5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.164 8.708 -6.150 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.509 10.874 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.001 10.439 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.338 12.094 -8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.950 13.012 -5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.446 13.555 -6.709 1.00 0.00 H new ATOM 122 N MET A 9 -3.546 7.266 -2.621 1.00 0.00 N ATOM 123 CA MET A 9 -3.119 5.887 -2.789 1.00 0.00 C ATOM 124 C MET A 9 -4.070 4.926 -2.071 1.00 0.00 C ATOM 125 O MET A 9 -4.453 5.166 -0.927 1.00 0.00 O ATOM 126 CB MET A 9 -1.705 5.719 -2.229 1.00 0.00 C ATOM 127 CG MET A 9 -1.420 4.254 -1.892 1.00 0.00 C ATOM 128 SD MET A 9 0.327 4.023 -1.605 1.00 0.00 S ATOM 129 CE MET A 9 0.672 2.749 -2.807 1.00 0.00 C ATOM 0 H MET A 9 -3.690 7.553 -1.653 1.00 0.00 H new ATOM 0 HA MET A 9 -3.129 5.651 -3.853 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.977 6.077 -2.957 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.589 6.331 -1.335 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.984 3.959 -1.007 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.751 3.613 -2.709 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.794 1.793 -2.299 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.155 2.682 -3.513 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.588 2.994 -3.344 1.00 0.00 H new ATOM 137 N LEU A 10 -4.425 3.862 -2.774 1.00 0.00 N ATOM 138 CA LEU A 10 -5.324 2.865 -2.218 1.00 0.00 C ATOM 139 C LEU A 10 -4.565 1.550 -2.026 1.00 0.00 C ATOM 140 O LEU A 10 -3.795 1.140 -2.892 1.00 0.00 O ATOM 141 CB LEU A 10 -6.576 2.729 -3.087 1.00 0.00 C ATOM 142 CG LEU A 10 -6.338 2.392 -4.560 1.00 0.00 C ATOM 143 CD1 LEU A 10 -6.234 0.880 -4.767 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.416 3.019 -5.448 1.00 0.00 C ATOM 0 H LEU A 10 -4.107 3.668 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.677 3.177 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.211 1.955 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.134 3.664 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.383 2.825 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.065 0.668 -5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.403 0.489 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.160 0.404 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.223 2.764 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.395 2.638 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.399 4.103 -5.331 1.00 0.00 H new ATOM 155 N VAL A 11 -4.810 0.925 -0.883 1.00 0.00 N ATOM 156 CA VAL A 11 -4.159 -0.334 -0.566 1.00 0.00 C ATOM 157 C VAL A 11 -5.185 -1.467 -0.645 1.00 0.00 C ATOM 158 O VAL A 11 -6.210 -1.430 0.035 1.00 0.00 O ATOM 159 CB VAL A 11 -3.476 -0.242 0.800 1.00 0.00 C ATOM 160 CG1 VAL A 11 -4.483 -0.452 1.933 1.00 0.00 C ATOM 161 CG2 VAL A 11 -2.319 -1.237 0.902 1.00 0.00 C ATOM 0 H VAL A 11 -5.450 1.267 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.376 -0.552 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.064 0.762 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.971 -0.382 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.257 0.313 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.939 -1.437 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.851 -1.151 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.698 -2.250 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.583 -1.020 0.128 1.00 0.00 H new ATOM 171 N LEU A 12 -4.875 -2.447 -1.479 1.00 0.00 N ATOM 172 CA LEU A 12 -5.757 -3.589 -1.656 1.00 0.00 C ATOM 173 C LEU A 12 -5.129 -4.819 -0.999 1.00 0.00 C ATOM 174 O LEU A 12 -3.950 -5.105 -1.205 1.00 0.00 O ATOM 175 CB LEU A 12 -6.091 -3.784 -3.136 1.00 0.00 C ATOM 176 CG LEU A 12 -4.932 -3.587 -4.116 1.00 0.00 C ATOM 177 CD1 LEU A 12 -5.129 -4.435 -5.374 1.00 0.00 C ATOM 178 CD2 LEU A 12 -4.739 -2.106 -4.447 1.00 0.00 C ATOM 0 H LEU A 12 -4.024 -2.475 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.711 -3.414 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.487 -4.791 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.888 -3.090 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.016 -3.931 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.292 -4.277 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.179 -5.488 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.057 -4.145 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.909 -1.994 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.649 -1.713 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.521 -1.554 -3.533 1.00 0.00 H new ATOM 189 N LEU A 13 -5.945 -5.516 -0.221 1.00 0.00 N ATOM 190 CA LEU A 13 -5.484 -6.712 0.465 1.00 0.00 C ATOM 191 C LEU A 13 -6.509 -7.831 0.275 1.00 0.00 C ATOM 192 O LEU A 13 -7.713 -7.598 0.367 1.00 0.00 O ATOM 193 CB LEU A 13 -5.177 -6.402 1.932 1.00 0.00 C ATOM 194 CG LEU A 13 -5.091 -7.609 2.868 1.00 0.00 C ATOM 195 CD1 LEU A 13 -3.633 -7.984 3.147 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.876 -7.360 4.158 1.00 0.00 C ATOM 0 H LEU A 13 -6.922 -5.276 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.546 -7.062 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.231 -5.863 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.947 -5.729 2.309 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.553 -8.461 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.600 -8.845 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.136 -8.233 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.124 -7.142 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.798 -8.233 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.466 -6.490 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.924 -7.179 3.917 1.00 0.00 H new ATOM 220 N ASP A 15 -8.351 -11.432 1.221 1.00 0.00 N ATOM 221 CA ASP A 15 -8.781 -12.109 2.433 1.00 0.00 C ATOM 222 C ASP A 15 -8.605 -13.619 2.257 1.00 0.00 C ATOM 223 O ASP A 15 -8.731 -14.138 1.148 1.00 0.00 O ATOM 224 CB ASP A 15 -10.258 -11.837 2.722 1.00 0.00 C ATOM 225 CG ASP A 15 -10.584 -10.394 3.118 1.00 0.00 C ATOM 226 OD1 ASP A 15 -9.672 -9.735 3.661 1.00 0.00 O ATOM 227 OD2 ASP A 15 -11.738 -9.984 2.868 1.00 0.00 O ATOM 0 HA ASP A 15 -8.177 -11.736 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.840 -12.095 1.837 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.584 -12.500 3.523 1.00 0.00 H new ATOM 231 N ASP A 16 -8.317 -14.282 3.367 1.00 0.00 N ATOM 232 CA ASP A 16 -8.122 -15.722 3.350 1.00 0.00 C ATOM 233 C ASP A 16 -9.239 -16.392 4.154 1.00 0.00 C ATOM 234 O ASP A 16 -9.557 -15.960 5.259 1.00 0.00 O ATOM 235 CB ASP A 16 -6.786 -16.104 3.988 1.00 0.00 C ATOM 236 CG ASP A 16 -6.818 -16.267 5.508 1.00 0.00 C ATOM 237 OD1 ASP A 16 -7.223 -15.289 6.174 1.00 0.00 O ATOM 238 OD2 ASP A 16 -6.437 -17.363 5.971 1.00 0.00 O ATOM 0 H ASP A 16 -8.214 -13.849 4.285 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.133 -16.052 2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.443 -17.039 3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.049 -15.342 3.735 1.00 0.00 H new ATOM 242 N THR A 17 -9.801 -17.438 3.564 1.00 0.00 N ATOM 243 CA THR A 17 -10.875 -18.172 4.211 1.00 0.00 C ATOM 244 C THR A 17 -10.412 -18.710 5.567 1.00 0.00 C ATOM 245 O THR A 17 -9.232 -18.627 5.902 1.00 0.00 O ATOM 246 CB THR A 17 -11.344 -19.267 3.250 1.00 0.00 C ATOM 247 OG1 THR A 17 -11.106 -18.720 1.958 1.00 0.00 O ATOM 248 CG2 THR A 17 -12.860 -19.474 3.294 1.00 0.00 C ATOM 0 H THR A 17 -9.533 -17.794 2.646 1.00 0.00 H new ATOM 0 HA THR A 17 -11.724 -17.523 4.427 1.00 0.00 H new ATOM 0 HB THR A 17 -10.842 -20.203 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.380 -19.366 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.140 -20.261 2.594 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.159 -19.761 4.302 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.362 -18.547 3.017 1.00 0.00 H new ATOM 256 N LYS A 18 -11.368 -19.249 6.311 1.00 0.00 N ATOM 257 CA LYS A 18 -11.073 -19.800 7.623 1.00 0.00 C ATOM 258 C LYS A 18 -12.161 -20.808 8.003 1.00 0.00 C ATOM 259 O LYS A 18 -12.769 -20.698 9.066 1.00 0.00 O ATOM 260 CB LYS A 18 -10.890 -18.678 8.646 1.00 0.00 C ATOM 261 CG LYS A 18 -12.166 -17.843 8.779 1.00 0.00 C ATOM 262 CD LYS A 18 -12.469 -17.536 10.248 1.00 0.00 C ATOM 263 CE LYS A 18 -13.466 -16.383 10.372 1.00 0.00 C ATOM 264 NZ LYS A 18 -12.891 -15.285 11.181 1.00 0.00 N ATOM 0 H LYS A 18 -12.346 -19.316 6.030 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.127 -20.341 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.627 -19.103 9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.062 -18.037 8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.055 -16.911 8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.004 -18.380 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.873 -18.425 10.733 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.546 -17.281 10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.728 -16.013 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.387 -16.739 10.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.581 -14.510 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.663 -15.638 12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.025 -14.934 10.725 1.00 0.00 H new ATOM 274 N ILE A 19 -12.371 -21.767 7.113 1.00 0.00 N ATOM 275 CA ILE A 19 -13.373 -22.793 7.342 1.00 0.00 C ATOM 276 C ILE A 19 -12.676 -24.133 7.594 1.00 0.00 C ATOM 277 O ILE A 19 -11.653 -24.429 6.979 1.00 0.00 O ATOM 278 CB ILE A 19 -14.378 -22.829 6.189 1.00 0.00 C ATOM 279 CG1 ILE A 19 -15.106 -21.491 6.056 1.00 0.00 C ATOM 280 CG2 ILE A 19 -15.352 -23.999 6.346 1.00 0.00 C ATOM 281 CD1 ILE A 19 -15.939 -21.193 7.304 1.00 0.00 C ATOM 0 H ILE A 19 -11.864 -21.855 6.232 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.956 -22.564 8.234 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.829 -22.991 5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -14.381 -20.692 5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.753 -21.511 5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.055 -24.001 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.796 -24.937 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -15.899 -23.894 7.283 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.446 -20.236 7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -16.679 -21.981 7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.286 -21.150 8.176 1.00 0.00 H new ATOM 292 N ASN A 20 -13.259 -24.907 8.496 1.00 0.00 N ATOM 293 CA ASN A 20 -12.708 -26.207 8.836 1.00 0.00 C ATOM 294 C ASN A 20 -12.733 -27.106 7.598 1.00 0.00 C ATOM 295 O ASN A 20 -12.749 -26.615 6.471 1.00 0.00 O ATOM 296 CB ASN A 20 -13.532 -26.887 9.932 1.00 0.00 C ATOM 297 CG ASN A 20 -13.936 -25.885 11.014 1.00 0.00 C ATOM 298 OD1 ASN A 20 -14.449 -24.811 10.744 1.00 0.00 O ATOM 299 ND2 ASN A 20 -13.677 -26.295 12.253 1.00 0.00 N ATOM 0 H ASN A 20 -14.109 -24.659 9.003 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.689 -26.058 9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.424 -27.336 9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.954 -27.696 10.378 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.910 -25.698 13.047 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.246 -27.206 12.409 1.00 0.00 H new ATOM 305 N LYS A 21 -12.738 -28.407 7.852 1.00 0.00 N ATOM 306 CA LYS A 21 -12.761 -29.378 6.771 1.00 0.00 C ATOM 307 C LYS A 21 -14.115 -29.317 6.064 1.00 0.00 C ATOM 308 O LYS A 21 -14.299 -29.925 5.010 1.00 0.00 O ATOM 309 CB LYS A 21 -12.405 -30.771 7.295 1.00 0.00 C ATOM 310 CG LYS A 21 -13.558 -31.363 8.107 1.00 0.00 C ATOM 311 CD LYS A 21 -13.078 -31.838 9.480 1.00 0.00 C ATOM 312 CE LYS A 21 -14.120 -32.737 10.146 1.00 0.00 C ATOM 313 NZ LYS A 21 -15.333 -31.959 10.485 1.00 0.00 N ATOM 0 H LYS A 21 -12.727 -28.810 8.789 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.001 -29.137 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.170 -31.429 6.458 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.511 -30.712 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.341 -30.615 8.231 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.998 -32.199 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.139 -32.382 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.876 -30.976 10.116 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.382 -33.558 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.702 -33.182 11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.018 -32.576 10.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.076 -31.171 11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.759 -31.583 9.614 1.00 0.00 H new ATOM 323 N GLU A 22 -15.031 -28.576 6.671 1.00 0.00 N ATOM 324 CA GLU A 22 -16.364 -28.426 6.113 1.00 0.00 C ATOM 325 C GLU A 22 -16.289 -27.821 4.710 1.00 0.00 C ATOM 326 O GLU A 22 -17.244 -27.908 3.939 1.00 0.00 O ATOM 327 CB GLU A 22 -17.251 -27.580 7.028 1.00 0.00 C ATOM 328 CG GLU A 22 -17.486 -28.282 8.367 1.00 0.00 C ATOM 329 CD GLU A 22 -18.709 -29.200 8.297 1.00 0.00 C ATOM 330 OE1 GLU A 22 -19.729 -28.744 7.738 1.00 0.00 O ATOM 331 OE2 GLU A 22 -18.594 -30.337 8.805 1.00 0.00 O ATOM 0 H GLU A 22 -14.876 -28.073 7.545 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.816 -29.415 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.783 -26.611 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -18.207 -27.391 6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.605 -28.864 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.629 -27.539 9.151 1.00 0.00 H new ATOM 336 N ASP A 23 -15.143 -27.223 4.420 1.00 0.00 N ATOM 337 CA ASP A 23 -14.930 -26.604 3.122 1.00 0.00 C ATOM 338 C ASP A 23 -13.479 -26.824 2.689 1.00 0.00 C ATOM 339 O ASP A 23 -13.218 -27.529 1.716 1.00 0.00 O ATOM 340 CB ASP A 23 -15.181 -25.096 3.184 1.00 0.00 C ATOM 341 CG ASP A 23 -15.254 -24.397 1.824 1.00 0.00 C ATOM 342 OD1 ASP A 23 -15.061 -25.104 0.811 1.00 0.00 O ATOM 343 OD2 ASP A 23 -15.500 -23.171 1.828 1.00 0.00 O ATOM 0 H ASP A 23 -14.352 -27.154 5.061 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.624 -27.057 2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.115 -24.920 3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.387 -24.634 3.771 1.00 0.00 H new ATOM 347 N GLU A 24 -12.573 -26.208 3.434 1.00 0.00 N ATOM 348 CA GLU A 24 -11.156 -26.329 3.139 1.00 0.00 C ATOM 349 C GLU A 24 -10.336 -26.253 4.430 1.00 0.00 C ATOM 350 O GLU A 24 -10.158 -25.174 4.993 1.00 0.00 O ATOM 351 CB GLU A 24 -10.708 -25.260 2.142 1.00 0.00 C ATOM 352 CG GLU A 24 -11.481 -25.377 0.827 1.00 0.00 C ATOM 353 CD GLU A 24 -10.984 -26.569 0.005 1.00 0.00 C ATOM 354 OE1 GLU A 24 -11.048 -27.695 0.542 1.00 0.00 O ATOM 355 OE2 GLU A 24 -10.552 -26.325 -1.142 1.00 0.00 O ATOM 0 H GLU A 24 -12.793 -25.624 4.241 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.984 -27.302 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.862 -24.270 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.640 -25.362 1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.545 -25.492 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.366 -24.459 0.250 1.00 0.00 H new ATOM 360 N LYS A 25 -9.861 -27.412 4.861 1.00 0.00 N ATOM 361 CA LYS A 25 -9.066 -27.489 6.074 1.00 0.00 C ATOM 362 C LYS A 25 -7.581 -27.499 5.706 1.00 0.00 C ATOM 363 O LYS A 25 -6.758 -26.918 6.412 1.00 0.00 O ATOM 364 CB LYS A 25 -9.496 -28.689 6.922 1.00 0.00 C ATOM 365 CG LYS A 25 -8.534 -28.908 8.091 1.00 0.00 C ATOM 366 CD LYS A 25 -9.262 -28.782 9.431 1.00 0.00 C ATOM 367 CE LYS A 25 -8.442 -29.407 10.561 1.00 0.00 C ATOM 368 NZ LYS A 25 -8.635 -30.875 10.589 1.00 0.00 N ATOM 0 H LYS A 25 -10.011 -28.305 4.392 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.236 -26.610 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.505 -28.527 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.529 -29.584 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.079 -29.895 8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.725 -28.179 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.448 -27.731 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.234 -29.271 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.386 -29.175 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.741 -28.976 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.072 -31.285 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.641 -31.090 10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.328 -31.283 9.683 1.00 0.00 H new ATOM 378 N PHE A 26 -7.283 -28.166 4.601 1.00 0.00 N ATOM 379 CA PHE A 26 -5.911 -28.259 4.131 1.00 0.00 C ATOM 380 C PHE A 26 -5.390 -26.890 3.687 1.00 0.00 C ATOM 381 O PHE A 26 -4.299 -26.480 4.084 1.00 0.00 O ATOM 382 CB PHE A 26 -5.914 -29.203 2.926 1.00 0.00 C ATOM 383 CG PHE A 26 -5.488 -30.635 3.256 1.00 0.00 C ATOM 384 CD1 PHE A 26 -4.198 -30.897 3.599 1.00 0.00 C ATOM 385 CD2 PHE A 26 -6.398 -31.644 3.206 1.00 0.00 C ATOM 386 CE1 PHE A 26 -3.802 -32.226 3.906 1.00 0.00 C ATOM 387 CE2 PHE A 26 -6.001 -32.973 3.512 1.00 0.00 C ATOM 388 CZ PHE A 26 -4.712 -33.236 3.855 1.00 0.00 C ATOM 0 H PHE A 26 -7.968 -28.647 4.018 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.267 -28.622 4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.915 -29.223 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.247 -28.803 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.476 -30.095 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.422 -31.435 2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.778 -32.435 4.180 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.723 -33.775 3.472 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.410 -34.247 4.087 1.00 0.00 H new ATOM 397 N LEU A 27 -6.192 -26.220 2.874 1.00 0.00 N ATOM 398 CA LEU A 27 -5.826 -24.906 2.375 1.00 0.00 C ATOM 399 C LEU A 27 -6.100 -23.859 3.456 1.00 0.00 C ATOM 400 O LEU A 27 -7.114 -23.927 4.148 1.00 0.00 O ATOM 401 CB LEU A 27 -6.532 -24.621 1.048 1.00 0.00 C ATOM 402 CG LEU A 27 -7.702 -23.636 1.110 1.00 0.00 C ATOM 403 CD1 LEU A 27 -7.201 -22.200 1.271 1.00 0.00 C ATOM 404 CD2 LEU A 27 -8.615 -23.792 -0.108 1.00 0.00 C ATOM 0 H LEU A 27 -7.095 -26.563 2.548 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.759 -24.865 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.796 -24.236 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.898 -25.565 0.644 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.299 -23.869 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.052 -21.520 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.625 -22.117 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.568 -21.938 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.438 -23.081 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.045 -23.600 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.013 -24.806 -0.137 1.00 0.00 H new ATOM 415 N LYS A 28 -5.177 -22.915 3.566 1.00 0.00 N ATOM 416 CA LYS A 28 -5.308 -21.853 4.550 1.00 0.00 C ATOM 417 C LYS A 28 -6.569 -21.040 4.253 1.00 0.00 C ATOM 418 O LYS A 28 -7.586 -21.195 4.927 1.00 0.00 O ATOM 419 CB LYS A 28 -4.032 -21.012 4.605 1.00 0.00 C ATOM 420 CG LYS A 28 -3.630 -20.717 6.051 1.00 0.00 C ATOM 421 CD LYS A 28 -2.114 -20.817 6.231 1.00 0.00 C ATOM 422 CE LYS A 28 -1.752 -21.907 7.243 1.00 0.00 C ATOM 423 NZ LYS A 28 -0.284 -22.074 7.324 1.00 0.00 N ATOM 0 H LYS A 28 -4.336 -22.863 2.991 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.428 -22.273 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.223 -21.539 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.186 -20.076 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.968 -19.719 6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.126 -21.420 6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.644 -21.036 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.720 -19.858 6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.149 -21.646 8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.215 -22.850 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.057 -22.817 8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.087 -22.344 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.151 -21.178 7.623 1.00 0.00 H new ATOM 433 N GLY A 29 -6.461 -20.190 3.242 1.00 0.00 N ATOM 434 CA GLY A 29 -7.579 -19.352 2.846 1.00 0.00 C ATOM 435 C GLY A 29 -7.336 -18.727 1.471 1.00 0.00 C ATOM 436 O GLY A 29 -6.648 -17.714 1.357 1.00 0.00 O ATOM 0 H GLY A 29 -5.616 -20.064 2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.493 -19.946 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.728 -18.565 3.586 1.00 0.00 H new ATOM 557 N VAL A 38 -9.066 -1.307 0.331 1.00 0.00 N ATOM 558 CA VAL A 38 -9.657 -1.203 1.653 1.00 0.00 C ATOM 559 C VAL A 38 -9.936 0.267 1.970 1.00 0.00 C ATOM 560 O VAL A 38 -10.964 0.596 2.561 1.00 0.00 O ATOM 561 CB VAL A 38 -8.750 -1.875 2.686 1.00 0.00 C ATOM 562 CG1 VAL A 38 -7.447 -1.091 2.862 1.00 0.00 C ATOM 563 CG2 VAL A 38 -9.472 -2.045 4.024 1.00 0.00 C ATOM 0 HA VAL A 38 -10.611 -1.729 1.686 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.498 -2.868 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.820 -1.589 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.919 -1.045 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.674 -0.080 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.804 -2.525 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.769 -1.067 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.358 -2.664 3.883 1.00 0.00 H new ATOM 573 N ASP A 39 -9.002 1.115 1.562 1.00 0.00 N ATOM 574 CA ASP A 39 -9.136 2.542 1.793 1.00 0.00 C ATOM 575 C ASP A 39 -8.067 3.288 0.992 1.00 0.00 C ATOM 576 O ASP A 39 -7.093 2.685 0.540 1.00 0.00 O ATOM 577 CB ASP A 39 -8.939 2.881 3.272 1.00 0.00 C ATOM 578 CG ASP A 39 -10.198 3.361 3.999 1.00 0.00 C ATOM 579 OD1 ASP A 39 -10.808 4.330 3.499 1.00 0.00 O ATOM 580 OD2 ASP A 39 -10.521 2.747 5.039 1.00 0.00 O ATOM 0 H ASP A 39 -8.150 0.840 1.073 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.138 2.840 1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.557 1.998 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.174 3.653 3.354 1.00 0.00 H new ATOM 584 N GLU A 40 -8.282 4.585 0.840 1.00 0.00 N ATOM 585 CA GLU A 40 -7.349 5.418 0.100 1.00 0.00 C ATOM 586 C GLU A 40 -6.832 6.552 0.988 1.00 0.00 C ATOM 587 O GLU A 40 -7.574 7.094 1.805 1.00 0.00 O ATOM 588 CB GLU A 40 -7.993 5.967 -1.173 1.00 0.00 C ATOM 589 CG GLU A 40 -9.192 6.859 -0.840 1.00 0.00 C ATOM 590 CD GLU A 40 -10.504 6.193 -1.261 1.00 0.00 C ATOM 591 OE1 GLU A 40 -10.871 6.359 -2.445 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.110 5.532 -0.390 1.00 0.00 O ATOM 0 H GLU A 40 -9.090 5.081 1.217 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.501 4.802 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.257 6.537 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.315 5.141 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.211 7.064 0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.088 7.818 -1.347 1.00 0.00 H new ATOM 597 N LEU A 41 -5.562 6.880 0.795 1.00 0.00 N ATOM 598 CA LEU A 41 -4.938 7.940 1.569 1.00 0.00 C ATOM 599 C LEU A 41 -4.211 8.896 0.622 1.00 0.00 C ATOM 600 O LEU A 41 -3.682 8.476 -0.406 1.00 0.00 O ATOM 601 CB LEU A 41 -4.037 7.350 2.656 1.00 0.00 C ATOM 602 CG LEU A 41 -4.690 6.322 3.583 1.00 0.00 C ATOM 603 CD1 LEU A 41 -4.621 4.918 2.979 1.00 0.00 C ATOM 604 CD2 LEU A 41 -4.072 6.375 4.982 1.00 0.00 C ATOM 0 H LEU A 41 -4.949 6.431 0.115 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.694 8.523 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.179 6.882 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.653 8.168 3.266 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.745 6.577 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.092 4.207 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.143 4.907 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.579 4.638 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.554 5.635 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.006 6.159 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.216 7.369 5.406 1.00 0.00 H new ATOM 615 N ILE A 42 -4.210 10.166 1.000 1.00 0.00 N ATOM 616 CA ILE A 42 -3.559 11.186 0.197 1.00 0.00 C ATOM 617 C ILE A 42 -2.074 11.242 0.558 1.00 0.00 C ATOM 618 O ILE A 42 -1.720 11.376 1.728 1.00 0.00 O ATOM 619 CB ILE A 42 -4.280 12.528 0.347 1.00 0.00 C ATOM 620 CG1 ILE A 42 -5.781 12.375 0.094 1.00 0.00 C ATOM 621 CG2 ILE A 42 -3.651 13.592 -0.555 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.060 12.082 -1.381 1.00 0.00 C ATOM 0 H ILE A 42 -4.650 10.512 1.853 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.621 10.934 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.160 12.867 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.177 11.568 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.299 13.287 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.182 14.536 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.604 13.726 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.719 13.273 -1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.134 11.978 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.684 12.902 -1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.561 11.157 -1.669 1.00 0.00 H new ATOM 633 N LEU A 43 -1.244 11.139 -0.470 1.00 0.00 N ATOM 634 CA LEU A 43 0.197 11.177 -0.275 1.00 0.00 C ATOM 635 C LEU A 43 0.750 12.478 -0.859 1.00 0.00 C ATOM 636 O LEU A 43 0.197 13.020 -1.815 1.00 0.00 O ATOM 637 CB LEU A 43 0.848 9.919 -0.853 1.00 0.00 C ATOM 638 CG LEU A 43 -0.108 8.801 -1.274 1.00 0.00 C ATOM 639 CD1 LEU A 43 -0.492 8.938 -2.751 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.485 7.426 -0.962 1.00 0.00 C ATOM 0 H LEU A 43 -1.541 11.029 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 43 0.439 11.174 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.442 10.207 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.539 9.519 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.024 8.896 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.172 8.132 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.983 9.898 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.405 8.882 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.215 6.649 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.424 7.304 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.669 7.343 0.109 1.00 0.00 H new ATOM 651 N PRO A 44 1.863 12.958 -0.240 1.00 0.00 N ATOM 652 CA PRO A 44 2.498 14.186 -0.686 1.00 0.00 C ATOM 653 C PRO A 44 3.273 13.961 -1.987 1.00 0.00 C ATOM 654 O PRO A 44 4.380 14.470 -2.148 1.00 0.00 O ATOM 655 CB PRO A 44 3.387 14.612 0.469 1.00 0.00 C ATOM 656 CG PRO A 44 3.576 13.373 1.329 1.00 0.00 C ATOM 657 CD PRO A 44 2.545 12.343 0.895 1.00 0.00 C ATOM 0 HA PRO A 44 1.778 14.969 -0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.345 14.986 0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.926 15.417 1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.585 12.977 1.211 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.451 13.618 2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.019 11.404 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.847 12.117 1.701 1.00 0.00 H new ATOM 662 N PHE A 45 2.659 13.200 -2.880 1.00 0.00 N ATOM 663 CA PHE A 45 3.278 12.902 -4.161 1.00 0.00 C ATOM 664 C PHE A 45 2.827 13.896 -5.232 1.00 0.00 C ATOM 665 O PHE A 45 1.636 14.178 -5.361 1.00 0.00 O ATOM 666 CB PHE A 45 2.823 11.497 -4.561 1.00 0.00 C ATOM 667 CG PHE A 45 3.002 11.185 -6.048 1.00 0.00 C ATOM 668 CD1 PHE A 45 4.091 11.653 -6.716 1.00 0.00 C ATOM 669 CD2 PHE A 45 2.072 10.439 -6.702 1.00 0.00 C ATOM 670 CE1 PHE A 45 4.256 11.364 -8.096 1.00 0.00 C ATOM 671 CE2 PHE A 45 2.236 10.150 -8.083 1.00 0.00 C ATOM 672 CZ PHE A 45 3.325 10.617 -8.750 1.00 0.00 C ATOM 0 H PHE A 45 1.739 12.781 -2.743 1.00 0.00 H new ATOM 0 HA PHE A 45 4.363 12.969 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.381 10.765 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.772 11.378 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.830 12.245 -6.196 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.208 10.066 -6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.120 11.737 -8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.496 9.560 -8.603 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.451 10.395 -9.799 1.00 0.00 H new ATOM 681 N ASN A 46 3.802 14.397 -5.977 1.00 0.00 N ATOM 682 CA ASN A 46 3.519 15.352 -7.035 1.00 0.00 C ATOM 683 C ASN A 46 4.067 14.817 -8.359 1.00 0.00 C ATOM 684 O ASN A 46 4.917 13.928 -8.369 1.00 0.00 O ATOM 685 CB ASN A 46 4.191 16.699 -6.755 1.00 0.00 C ATOM 686 CG ASN A 46 3.165 17.740 -6.308 1.00 0.00 C ATOM 687 OD1 ASN A 46 3.119 18.149 -5.159 1.00 0.00 O ATOM 688 ND2 ASN A 46 2.349 18.148 -7.275 1.00 0.00 N ATOM 0 H ASN A 46 4.788 14.160 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 46 2.439 15.491 -7.084 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.951 16.577 -5.983 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.702 17.048 -7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.631 18.844 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.441 17.765 -8.216 1.00 0.00 H new ATOM 694 N VAL A 47 3.558 15.380 -9.445 1.00 0.00 N ATOM 695 CA VAL A 47 3.987 14.970 -10.772 1.00 0.00 C ATOM 696 C VAL A 47 5.385 15.526 -11.046 1.00 0.00 C ATOM 697 O VAL A 47 6.098 15.024 -11.913 1.00 0.00 O ATOM 698 CB VAL A 47 2.955 15.409 -11.812 1.00 0.00 C ATOM 699 CG1 VAL A 47 3.419 15.052 -13.227 1.00 0.00 C ATOM 700 CG2 VAL A 47 1.583 14.799 -11.515 1.00 0.00 C ATOM 0 H VAL A 47 2.853 16.117 -9.433 1.00 0.00 H new ATOM 0 HA VAL A 47 4.052 13.884 -10.835 1.00 0.00 H new ATOM 0 HB VAL A 47 2.859 16.493 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.668 15.374 -13.948 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.363 15.554 -13.438 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.556 13.973 -13.304 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.868 15.127 -12.269 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.657 13.712 -11.533 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.246 15.123 -10.530 1.00 0.00 H new ATOM 710 N ASP A 48 5.737 16.557 -10.290 1.00 0.00 N ATOM 711 CA ASP A 48 7.038 17.186 -10.439 1.00 0.00 C ATOM 712 C ASP A 48 7.920 16.814 -9.246 1.00 0.00 C ATOM 713 O ASP A 48 8.658 17.653 -8.730 1.00 0.00 O ATOM 714 CB ASP A 48 6.911 18.710 -10.478 1.00 0.00 C ATOM 715 CG ASP A 48 8.211 19.459 -10.779 1.00 0.00 C ATOM 716 OD1 ASP A 48 9.136 18.803 -11.304 1.00 0.00 O ATOM 717 OD2 ASP A 48 8.251 20.671 -10.476 1.00 0.00 O ATOM 0 H ASP A 48 5.143 16.972 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 48 7.476 16.837 -11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.171 18.979 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.526 19.052 -9.517 1.00 0.00 H new ATOM 721 N GLU A 49 7.815 15.557 -8.842 1.00 0.00 N ATOM 722 CA GLU A 49 8.594 15.064 -7.720 1.00 0.00 C ATOM 723 C GLU A 49 8.802 13.552 -7.841 1.00 0.00 C ATOM 724 O GLU A 49 8.790 12.838 -6.839 1.00 0.00 O ATOM 725 CB GLU A 49 7.927 15.420 -6.390 1.00 0.00 C ATOM 726 CG GLU A 49 8.407 16.783 -5.885 1.00 0.00 C ATOM 727 CD GLU A 49 8.114 16.948 -4.391 1.00 0.00 C ATOM 728 OE1 GLU A 49 7.064 16.426 -3.957 1.00 0.00 O ATOM 729 OE2 GLU A 49 8.947 17.592 -3.717 1.00 0.00 O ATOM 0 H GLU A 49 7.202 14.865 -9.272 1.00 0.00 H new ATOM 0 HA GLU A 49 9.570 15.549 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.844 15.435 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.153 14.653 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.478 16.884 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.914 17.577 -6.446 1.00 0.00 H new ATOM 734 N LEU A 50 8.987 13.110 -9.075 1.00 0.00 N ATOM 735 CA LEU A 50 9.199 11.697 -9.340 1.00 0.00 C ATOM 736 C LEU A 50 10.564 11.278 -8.791 1.00 0.00 C ATOM 737 O LEU A 50 10.691 10.221 -8.174 1.00 0.00 O ATOM 738 CB LEU A 50 9.018 11.398 -10.829 1.00 0.00 C ATOM 739 CG LEU A 50 7.582 11.136 -11.291 1.00 0.00 C ATOM 740 CD1 LEU A 50 6.920 10.053 -10.435 1.00 0.00 C ATOM 741 CD2 LEU A 50 6.767 12.430 -11.310 1.00 0.00 C ATOM 0 H LEU A 50 8.995 13.705 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 50 8.450 11.097 -8.824 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.414 12.238 -11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.624 10.528 -11.081 1.00 0.00 H new ATOM 0 HG LEU A 50 7.615 10.762 -12.314 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.901 9.886 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.488 9.126 -10.517 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.899 10.375 -9.394 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.751 12.215 -11.642 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.739 12.857 -10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.229 13.141 -11.994 1.00 0.00 H new ATOM 752 N ASP A 51 11.551 12.127 -9.036 1.00 0.00 N ATOM 753 CA ASP A 51 12.902 11.860 -8.572 1.00 0.00 C ATOM 754 C ASP A 51 12.911 11.811 -7.042 1.00 0.00 C ATOM 755 O ASP A 51 13.448 10.875 -6.452 1.00 0.00 O ATOM 756 CB ASP A 51 13.865 12.962 -9.015 1.00 0.00 C ATOM 757 CG ASP A 51 14.065 13.076 -10.528 1.00 0.00 C ATOM 758 OD1 ASP A 51 13.136 13.594 -11.184 1.00 0.00 O ATOM 759 OD2 ASP A 51 15.141 12.644 -10.992 1.00 0.00 O ATOM 0 H ASP A 51 11.442 13.001 -9.550 1.00 0.00 H new ATOM 0 HA ASP A 51 13.222 10.909 -8.998 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.498 13.917 -8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.834 12.787 -8.548 1.00 0.00 H new ATOM 763 N GLU A 52 12.310 12.829 -6.445 1.00 0.00 N ATOM 764 CA GLU A 52 12.244 12.915 -4.997 1.00 0.00 C ATOM 765 C GLU A 52 11.320 11.829 -4.442 1.00 0.00 C ATOM 766 O GLU A 52 11.561 11.299 -3.358 1.00 0.00 O ATOM 767 CB GLU A 52 11.786 14.306 -4.551 1.00 0.00 C ATOM 768 CG GLU A 52 12.561 14.768 -3.315 1.00 0.00 C ATOM 769 CD GLU A 52 11.801 15.867 -2.570 1.00 0.00 C ATOM 770 OE1 GLU A 52 10.609 15.634 -2.278 1.00 0.00 O ATOM 771 OE2 GLU A 52 12.431 16.915 -2.308 1.00 0.00 O ATOM 0 H GLU A 52 11.864 13.602 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 52 13.245 12.752 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.931 15.018 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.719 14.288 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.729 13.921 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.542 15.138 -3.614 1.00 0.00 H new ATOM 776 N LEU A 53 10.282 11.530 -5.211 1.00 0.00 N ATOM 777 CA LEU A 53 9.321 10.518 -4.810 1.00 0.00 C ATOM 778 C LEU A 53 9.967 9.135 -4.923 1.00 0.00 C ATOM 779 O LEU A 53 9.744 8.271 -4.076 1.00 0.00 O ATOM 780 CB LEU A 53 8.028 10.659 -5.613 1.00 0.00 C ATOM 781 CG LEU A 53 6.975 9.572 -5.387 1.00 0.00 C ATOM 782 CD1 LEU A 53 5.820 10.096 -4.531 1.00 0.00 C ATOM 783 CD2 LEU A 53 6.487 8.995 -6.718 1.00 0.00 C ATOM 0 H LEU A 53 10.087 11.972 -6.109 1.00 0.00 H new ATOM 0 HA LEU A 53 9.037 10.654 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.581 11.625 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.282 10.676 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 53 7.440 8.756 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.086 9.303 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.202 10.419 -3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.348 10.940 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.739 8.225 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.045 9.790 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.329 8.559 -7.256 1.00 0.00 H new ATOM 794 N ASN A 54 10.754 8.968 -5.974 1.00 0.00 N ATOM 795 CA ASN A 54 11.433 7.705 -6.209 1.00 0.00 C ATOM 796 C ASN A 54 12.513 7.506 -5.145 1.00 0.00 C ATOM 797 O ASN A 54 12.728 6.392 -4.672 1.00 0.00 O ATOM 798 CB ASN A 54 12.112 7.691 -7.581 1.00 0.00 C ATOM 799 CG ASN A 54 11.279 6.907 -8.596 1.00 0.00 C ATOM 800 OD1 ASN A 54 11.388 5.700 -8.730 1.00 0.00 O ATOM 801 ND2 ASN A 54 10.440 7.660 -9.305 1.00 0.00 N ATOM 0 H ASN A 54 10.937 9.687 -6.674 1.00 0.00 H new ATOM 0 HA ASN A 54 10.689 6.909 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.252 8.713 -7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.103 7.245 -7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.840 7.230 -10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.397 8.666 -9.144 1.00 0.00 H new ATOM 807 N THR A 55 13.166 8.607 -4.797 1.00 0.00 N ATOM 808 CA THR A 55 14.219 8.568 -3.798 1.00 0.00 C ATOM 809 C THR A 55 13.635 8.249 -2.419 1.00 0.00 C ATOM 810 O THR A 55 14.166 7.408 -1.696 1.00 0.00 O ATOM 811 CB THR A 55 14.967 9.901 -3.847 1.00 0.00 C ATOM 812 OG1 THR A 55 16.335 9.539 -3.665 1.00 0.00 O ATOM 813 CG2 THR A 55 14.655 10.793 -2.643 1.00 0.00 C ATOM 0 H THR A 55 12.985 9.531 -5.190 1.00 0.00 H new ATOM 0 HA THR A 55 14.932 7.771 -4.007 1.00 0.00 H new ATOM 0 HB THR A 55 14.709 10.428 -4.766 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.892 10.345 -3.685 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.212 11.726 -2.728 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.587 11.009 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.944 10.280 -1.726 1.00 0.00 H new ATOM 821 N TRP A 56 12.549 8.937 -2.099 1.00 0.00 N ATOM 822 CA TRP A 56 11.888 8.738 -0.820 1.00 0.00 C ATOM 823 C TRP A 56 11.228 7.358 -0.840 1.00 0.00 C ATOM 824 O TRP A 56 11.381 6.579 0.099 1.00 0.00 O ATOM 825 CB TRP A 56 10.900 9.870 -0.533 1.00 0.00 C ATOM 826 CG TRP A 56 9.447 9.408 -0.402 1.00 0.00 C ATOM 827 CD1 TRP A 56 8.978 8.329 0.240 1.00 0.00 C ATOM 828 CD2 TRP A 56 8.283 10.060 -0.953 1.00 0.00 C ATOM 829 NE1 TRP A 56 7.605 8.239 0.142 1.00 0.00 N ATOM 830 CE2 TRP A 56 7.168 9.325 -0.607 1.00 0.00 C ATOM 831 CE3 TRP A 56 8.177 11.234 -1.721 1.00 0.00 C ATOM 832 CZ2 TRP A 56 5.868 9.680 -0.984 1.00 0.00 C ATOM 833 CZ3 TRP A 56 6.870 11.575 -2.090 1.00 0.00 C ATOM 834 CH2 TRP A 56 5.739 10.845 -1.749 1.00 0.00 C ATOM 0 H TRP A 56 12.110 9.632 -2.703 1.00 0.00 H new ATOM 0 HA TRP A 56 12.609 8.767 -0.003 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.196 10.372 0.388 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.966 10.608 -1.333 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.597 7.619 0.768 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.018 7.509 0.545 1.00 0.00 H new ATOM 0 HE3 TRP A 56 9.036 11.825 -2.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.011 9.087 -0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.732 12.468 -2.681 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.763 11.175 -2.073 1.00 0.00 H new ATOM 844 N PHE A 57 10.507 7.098 -1.922 1.00 0.00 N ATOM 845 CA PHE A 57 9.823 5.825 -2.075 1.00 0.00 C ATOM 846 C PHE A 57 10.816 4.660 -2.045 1.00 0.00 C ATOM 847 O PHE A 57 10.513 3.596 -1.506 1.00 0.00 O ATOM 848 CB PHE A 57 9.129 5.852 -3.439 1.00 0.00 C ATOM 849 CG PHE A 57 8.429 4.542 -3.807 1.00 0.00 C ATOM 850 CD1 PHE A 57 7.151 4.316 -3.401 1.00 0.00 C ATOM 851 CD2 PHE A 57 9.085 3.604 -4.541 1.00 0.00 C ATOM 852 CE1 PHE A 57 6.502 3.102 -3.743 1.00 0.00 C ATOM 853 CE2 PHE A 57 8.436 2.388 -4.883 1.00 0.00 C ATOM 854 CZ PHE A 57 7.158 2.163 -4.477 1.00 0.00 C ATOM 0 H PHE A 57 10.382 7.746 -2.700 1.00 0.00 H new ATOM 0 HA PHE A 57 9.114 5.684 -1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.396 6.658 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.867 6.086 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.630 5.061 -2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.100 3.784 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.487 2.923 -3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.957 1.642 -5.465 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.664 1.239 -4.737 1.00 0.00 H new ATOM 863 N ASP A 58 11.980 4.903 -2.628 1.00 0.00 N ATOM 864 CA ASP A 58 13.018 3.888 -2.675 1.00 0.00 C ATOM 865 C ASP A 58 13.477 3.566 -1.250 1.00 0.00 C ATOM 866 O ASP A 58 13.644 2.401 -0.896 1.00 0.00 O ATOM 867 CB ASP A 58 14.236 4.380 -3.462 1.00 0.00 C ATOM 868 CG ASP A 58 15.428 3.423 -3.475 1.00 0.00 C ATOM 869 OD1 ASP A 58 15.374 2.458 -4.268 1.00 0.00 O ATOM 870 OD2 ASP A 58 16.368 3.676 -2.690 1.00 0.00 O ATOM 0 H ASP A 58 12.227 5.788 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 58 12.604 3.006 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.932 4.571 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.559 5.333 -3.043 1.00 0.00 H new ATOM 874 N LYS A 59 13.664 4.621 -0.471 1.00 0.00 N ATOM 875 CA LYS A 59 14.099 4.467 0.906 1.00 0.00 C ATOM 876 C LYS A 59 12.951 3.890 1.737 1.00 0.00 C ATOM 877 O LYS A 59 13.142 2.934 2.487 1.00 0.00 O ATOM 878 CB LYS A 59 14.647 5.789 1.448 1.00 0.00 C ATOM 879 CG LYS A 59 15.177 5.621 2.872 1.00 0.00 C ATOM 880 CD LYS A 59 14.026 5.538 3.879 1.00 0.00 C ATOM 881 CE LYS A 59 14.439 6.122 5.233 1.00 0.00 C ATOM 882 NZ LYS A 59 14.622 7.587 5.132 1.00 0.00 N ATOM 0 H LYS A 59 13.522 5.586 -0.768 1.00 0.00 H new ATOM 0 HA LYS A 59 14.925 3.759 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.446 6.149 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.861 6.545 1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.785 4.718 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.826 6.460 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.161 6.079 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.722 4.499 4.005 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.679 5.895 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.365 5.656 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.464 8.022 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.590 7.795 4.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.941 7.976 4.449 1.00 0.00 H new ATOM 892 N PHE A 60 11.785 4.497 1.577 1.00 0.00 N ATOM 893 CA PHE A 60 10.605 4.055 2.303 1.00 0.00 C ATOM 894 C PHE A 60 10.249 2.611 1.943 1.00 0.00 C ATOM 895 O PHE A 60 9.722 1.874 2.776 1.00 0.00 O ATOM 896 CB PHE A 60 9.454 4.971 1.884 1.00 0.00 C ATOM 897 CG PHE A 60 9.126 6.066 2.903 1.00 0.00 C ATOM 898 CD1 PHE A 60 9.948 7.140 3.034 1.00 0.00 C ATOM 899 CD2 PHE A 60 8.014 5.961 3.677 1.00 0.00 C ATOM 900 CE1 PHE A 60 9.643 8.156 3.979 1.00 0.00 C ATOM 901 CE2 PHE A 60 7.710 6.976 4.623 1.00 0.00 C ATOM 902 CZ PHE A 60 8.531 8.052 4.753 1.00 0.00 C ATOM 0 H PHE A 60 11.631 5.291 0.956 1.00 0.00 H new ATOM 0 HA PHE A 60 10.790 4.098 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 60 9.704 5.439 0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.563 4.365 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.833 7.221 2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.362 5.106 3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.295 9.011 4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.827 6.893 5.239 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.299 8.824 5.472 1.00 0.00 H new ATOM 911 N ASP A 61 10.551 2.252 0.705 1.00 0.00 N ATOM 912 CA ASP A 61 10.270 0.909 0.227 1.00 0.00 C ATOM 913 C ASP A 61 10.988 -0.107 1.119 1.00 0.00 C ATOM 914 O ASP A 61 10.420 -1.138 1.473 1.00 0.00 O ATOM 915 CB ASP A 61 10.773 0.718 -1.206 1.00 0.00 C ATOM 916 CG ASP A 61 10.670 -0.711 -1.743 1.00 0.00 C ATOM 917 OD1 ASP A 61 9.842 -1.467 -1.189 1.00 0.00 O ATOM 918 OD2 ASP A 61 11.423 -1.016 -2.692 1.00 0.00 O ATOM 0 H ASP A 61 10.987 2.867 0.018 1.00 0.00 H new ATOM 0 HA ASP A 61 9.190 0.761 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.209 1.379 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.815 1.034 -1.254 1.00 0.00 H new ATOM 922 N ALA A 62 12.227 0.221 1.456 1.00 0.00 N ATOM 923 CA ALA A 62 13.027 -0.649 2.300 1.00 0.00 C ATOM 924 C ALA A 62 12.517 -0.566 3.740 1.00 0.00 C ATOM 925 O ALA A 62 12.403 -1.583 4.422 1.00 0.00 O ATOM 926 CB ALA A 62 14.502 -0.260 2.181 1.00 0.00 C ATOM 0 H ALA A 62 12.696 1.077 1.160 1.00 0.00 H new ATOM 0 HA ALA A 62 12.936 -1.686 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.103 -0.913 2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.823 -0.364 1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.632 0.774 2.499 1.00 0.00 H new ATOM 932 N GLU A 63 12.221 0.655 4.161 1.00 0.00 N ATOM 933 CA GLU A 63 11.726 0.884 5.508 1.00 0.00 C ATOM 934 C GLU A 63 10.396 0.155 5.714 1.00 0.00 C ATOM 935 O GLU A 63 10.077 -0.257 6.828 1.00 0.00 O ATOM 936 CB GLU A 63 11.582 2.381 5.791 1.00 0.00 C ATOM 937 CG GLU A 63 12.783 2.908 6.577 1.00 0.00 C ATOM 938 CD GLU A 63 12.387 4.104 7.446 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.627 4.952 6.931 1.00 0.00 O ATOM 940 OE2 GLU A 63 12.856 4.145 8.603 1.00 0.00 O ATOM 0 H GLU A 63 12.315 1.497 3.593 1.00 0.00 H new ATOM 0 HA GLU A 63 12.451 0.483 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.491 2.925 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.666 2.562 6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.187 2.115 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.574 3.201 5.887 1.00 0.00 H new ATOM 945 N ILE A 64 9.657 0.020 4.623 1.00 0.00 N ATOM 946 CA ILE A 64 8.370 -0.653 4.672 1.00 0.00 C ATOM 947 C ILE A 64 8.569 -2.148 4.413 1.00 0.00 C ATOM 948 O ILE A 64 7.803 -2.975 4.906 1.00 0.00 O ATOM 949 CB ILE A 64 7.383 0.011 3.709 1.00 0.00 C ATOM 950 CG1 ILE A 64 6.656 1.176 4.385 1.00 0.00 C ATOM 951 CG2 ILE A 64 6.406 -1.016 3.131 1.00 0.00 C ATOM 952 CD1 ILE A 64 5.421 0.686 5.144 1.00 0.00 C ATOM 0 H ILE A 64 9.924 0.365 3.701 1.00 0.00 H new ATOM 0 HA ILE A 64 7.928 -0.558 5.664 1.00 0.00 H new ATOM 0 HB ILE A 64 7.947 0.425 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.333 1.682 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.359 1.909 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.716 -0.518 2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.961 -1.782 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.844 -1.480 3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.923 1.534 5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.735 0.203 4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.724 -0.028 5.910 1.00 0.00 H new ATOM 963 N CYS A 65 9.602 -2.448 3.640 1.00 0.00 N ATOM 964 CA CYS A 65 9.912 -3.830 3.310 1.00 0.00 C ATOM 965 C CYS A 65 10.596 -4.470 4.519 1.00 0.00 C ATOM 966 O CYS A 65 10.463 -5.672 4.748 1.00 0.00 O ATOM 967 CB CYS A 65 10.772 -3.930 2.048 1.00 0.00 C ATOM 968 SG CYS A 65 9.728 -3.720 0.561 1.00 0.00 S ATOM 0 H CYS A 65 10.235 -1.759 3.233 1.00 0.00 H new ATOM 0 HA CYS A 65 8.991 -4.369 3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 65 11.550 -3.167 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.274 -4.897 2.016 1.00 0.00 H new ATOM 0 HG CYS A 65 9.748 -2.474 0.189 1.00 0.00 H new ATOM 973 N ILE A 66 11.316 -3.640 5.261 1.00 0.00 N ATOM 974 CA ILE A 66 12.021 -4.111 6.441 1.00 0.00 C ATOM 975 C ILE A 66 11.030 -4.804 7.379 1.00 0.00 C ATOM 976 O ILE A 66 11.246 -5.946 7.780 1.00 0.00 O ATOM 977 CB ILE A 66 12.789 -2.963 7.099 1.00 0.00 C ATOM 978 CG1 ILE A 66 14.266 -2.992 6.699 1.00 0.00 C ATOM 979 CG2 ILE A 66 12.607 -2.980 8.618 1.00 0.00 C ATOM 980 CD1 ILE A 66 14.423 -2.989 5.177 1.00 0.00 C ATOM 0 H ILE A 66 11.426 -2.645 5.067 1.00 0.00 H new ATOM 0 HA ILE A 66 12.772 -4.851 6.166 1.00 0.00 H new ATOM 0 HB ILE A 66 12.374 -2.023 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.778 -2.128 7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.742 -3.880 7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.163 -2.154 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.549 -2.875 8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 66 12.979 -3.923 9.018 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.482 -3.010 4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 66 13.931 -3.867 4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.968 -2.088 4.766 1.00 0.00 H new ATOM 991 N PRO A 67 9.938 -4.065 7.709 1.00 0.00 N ATOM 992 CA PRO A 67 8.913 -4.596 8.594 1.00 0.00 C ATOM 993 C PRO A 67 8.042 -5.625 7.869 1.00 0.00 C ATOM 994 O PRO A 67 7.107 -6.170 8.450 1.00 0.00 O ATOM 995 CB PRO A 67 8.132 -3.381 9.065 1.00 0.00 C ATOM 996 CG PRO A 67 8.446 -2.273 8.073 1.00 0.00 C ATOM 997 CD PRO A 67 9.648 -2.708 7.251 1.00 0.00 C ATOM 0 HA PRO A 67 9.329 -5.138 9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.063 -3.590 9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 67 8.426 -3.096 10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.589 -2.086 7.426 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.659 -1.341 8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.426 -2.689 6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.498 -2.045 7.412 1.00 0.00 H new ATOM 1002 N ASN A 68 8.381 -5.857 6.609 1.00 0.00 N ATOM 1003 CA ASN A 68 7.641 -6.808 5.799 1.00 0.00 C ATOM 1004 C ASN A 68 8.396 -8.139 5.767 1.00 0.00 C ATOM 1005 O ASN A 68 9.625 -8.160 5.754 1.00 0.00 O ATOM 1006 CB ASN A 68 7.498 -6.312 4.358 1.00 0.00 C ATOM 1007 CG ASN A 68 6.683 -5.019 4.303 1.00 0.00 C ATOM 1008 OD1 ASN A 68 6.057 -4.606 5.265 1.00 0.00 O ATOM 1009 ND2 ASN A 68 6.726 -4.401 3.124 1.00 0.00 N ATOM 0 H ASN A 68 9.158 -5.402 6.130 1.00 0.00 H new ATOM 0 HA ASN A 68 6.651 -6.927 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.485 -6.143 3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.014 -7.078 3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.216 -3.529 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.269 -4.800 2.359 1.00 0.00 H new ATOM 1015 N GLU A 69 7.626 -9.218 5.756 1.00 0.00 N ATOM 1016 CA GLU A 69 8.206 -10.551 5.726 1.00 0.00 C ATOM 1017 C GLU A 69 7.563 -11.384 4.616 1.00 0.00 C ATOM 1018 O GLU A 69 6.934 -12.406 4.887 1.00 0.00 O ATOM 1019 CB GLU A 69 8.063 -11.241 7.083 1.00 0.00 C ATOM 1020 CG GLU A 69 9.334 -11.074 7.920 1.00 0.00 C ATOM 1021 CD GLU A 69 9.772 -12.408 8.526 1.00 0.00 C ATOM 1022 OE1 GLU A 69 10.217 -13.270 7.738 1.00 0.00 O ATOM 1023 OE2 GLU A 69 9.651 -12.536 9.764 1.00 0.00 O ATOM 0 H GLU A 69 6.606 -9.196 5.767 1.00 0.00 H new ATOM 0 HA GLU A 69 9.271 -10.459 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.212 -10.822 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.857 -12.301 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.134 -10.674 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.157 -10.350 8.715 1.00 0.00 H new ATOM 1028 N GLY A 70 7.742 -10.916 3.389 1.00 0.00 N ATOM 1029 CA GLY A 70 7.187 -11.606 2.236 1.00 0.00 C ATOM 1030 C GLY A 70 7.363 -10.778 0.963 1.00 0.00 C ATOM 1031 O GLY A 70 8.222 -9.898 0.905 1.00 0.00 O ATOM 0 H GLY A 70 8.263 -10.068 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.677 -12.572 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.128 -11.804 2.402 1.00 0.00 H new ATOM 1035 N HIS A 71 6.538 -11.087 -0.026 1.00 0.00 N ATOM 1036 CA HIS A 71 6.593 -10.381 -1.294 1.00 0.00 C ATOM 1037 C HIS A 71 5.559 -9.253 -1.299 1.00 0.00 C ATOM 1038 O HIS A 71 4.513 -9.362 -0.659 1.00 0.00 O ATOM 1039 CB HIS A 71 6.416 -11.351 -2.464 1.00 0.00 C ATOM 1040 CG HIS A 71 7.526 -12.367 -2.592 1.00 0.00 C ATOM 1041 ND1 HIS A 71 8.726 -12.091 -3.225 1.00 0.00 N ATOM 1042 CD2 HIS A 71 7.606 -13.659 -2.163 1.00 0.00 C ATOM 1043 CE1 HIS A 71 9.486 -13.175 -3.172 1.00 0.00 C ATOM 1044 NE2 HIS A 71 8.789 -14.147 -2.514 1.00 0.00 N ATOM 0 H HIS A 71 5.828 -11.817 0.025 1.00 0.00 H new ATOM 0 HA HIS A 71 7.576 -9.927 -1.419 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.468 -11.876 -2.347 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.352 -10.780 -3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.836 -14.195 -1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.482 -13.272 -3.578 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.122 -15.092 -2.324 1.00 0.00 H new ATOM 1051 N ILE A 72 5.888 -8.195 -2.025 1.00 0.00 N ATOM 1052 CA ILE A 72 5.001 -7.049 -2.121 1.00 0.00 C ATOM 1053 C ILE A 72 5.062 -6.479 -3.540 1.00 0.00 C ATOM 1054 O ILE A 72 6.097 -6.557 -4.200 1.00 0.00 O ATOM 1055 CB ILE A 72 5.329 -6.025 -1.033 1.00 0.00 C ATOM 1056 CG1 ILE A 72 6.349 -5.000 -1.534 1.00 0.00 C ATOM 1057 CG2 ILE A 72 5.795 -6.717 0.249 1.00 0.00 C ATOM 1058 CD1 ILE A 72 6.834 -4.104 -0.391 1.00 0.00 C ATOM 0 H ILE A 72 6.757 -8.107 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 72 3.969 -7.351 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 72 4.417 -5.480 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.198 -5.516 -1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.900 -4.387 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.022 -5.966 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.006 -7.375 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.690 -7.304 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.558 -3.385 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.986 -3.571 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.304 -4.717 0.378 1.00 0.00 H new ATOM 1069 N LYS A 73 3.940 -5.919 -3.969 1.00 0.00 N ATOM 1070 CA LYS A 73 3.852 -5.337 -5.296 1.00 0.00 C ATOM 1071 C LYS A 73 3.105 -4.005 -5.217 1.00 0.00 C ATOM 1072 O LYS A 73 2.167 -3.860 -4.433 1.00 0.00 O ATOM 1073 CB LYS A 73 3.232 -6.333 -6.278 1.00 0.00 C ATOM 1074 CG LYS A 73 1.710 -6.180 -6.327 1.00 0.00 C ATOM 1075 CD LYS A 73 1.084 -7.230 -7.247 1.00 0.00 C ATOM 1076 CE LYS A 73 0.125 -6.579 -8.247 1.00 0.00 C ATOM 1077 NZ LYS A 73 0.501 -6.938 -9.633 1.00 0.00 N ATOM 0 H LYS A 73 3.083 -5.856 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 73 4.848 -5.121 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.649 -6.176 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.489 -7.350 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.298 -6.279 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.452 -5.182 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.869 -7.763 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.548 -7.968 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.896 -6.903 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.145 -5.496 -8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.159 -6.489 -10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.468 -6.607 -9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.459 -7.971 -9.748 1.00 0.00 H new ATOM 1087 N TYR A 74 3.545 -3.064 -6.040 1.00 0.00 N ATOM 1088 CA TYR A 74 2.930 -1.749 -6.071 1.00 0.00 C ATOM 1089 C TYR A 74 2.813 -1.233 -7.509 1.00 0.00 C ATOM 1090 O TYR A 74 3.525 -1.698 -8.396 1.00 0.00 O ATOM 1091 CB TYR A 74 3.863 -0.827 -5.285 1.00 0.00 C ATOM 1092 CG TYR A 74 5.346 -1.174 -5.427 1.00 0.00 C ATOM 1093 CD1 TYR A 74 6.069 -0.688 -6.498 1.00 0.00 C ATOM 1094 CD2 TYR A 74 5.962 -1.972 -4.484 1.00 0.00 C ATOM 1095 CE1 TYR A 74 7.465 -1.016 -6.632 1.00 0.00 C ATOM 1096 CE2 TYR A 74 7.358 -2.298 -4.618 1.00 0.00 C ATOM 1097 CZ TYR A 74 8.041 -1.805 -5.685 1.00 0.00 C ATOM 1098 OH TYR A 74 9.359 -2.113 -5.811 1.00 0.00 O ATOM 0 H TYR A 74 4.321 -3.187 -6.691 1.00 0.00 H new ATOM 0 HA TYR A 74 1.926 -1.785 -5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.707 0.199 -5.617 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.591 -0.865 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.588 -0.062 -7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.397 -2.352 -3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.042 -0.644 -7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.852 -2.921 -3.887 1.00 0.00 H new ATOM 0 HH TYR A 74 9.635 -2.682 -5.062 1.00 0.00 H new ATOM 1107 N GLU A 75 1.912 -0.281 -7.689 1.00 0.00 N ATOM 1108 CA GLU A 75 1.693 0.304 -9.002 1.00 0.00 C ATOM 1109 C GLU A 75 1.497 1.816 -8.885 1.00 0.00 C ATOM 1110 O GLU A 75 0.550 2.276 -8.248 1.00 0.00 O ATOM 1111 CB GLU A 75 0.502 -0.352 -9.702 1.00 0.00 C ATOM 1112 CG GLU A 75 0.874 -0.801 -11.117 1.00 0.00 C ATOM 1113 CD GLU A 75 0.949 -2.326 -11.205 1.00 0.00 C ATOM 1114 OE1 GLU A 75 1.912 -2.882 -10.634 1.00 0.00 O ATOM 1115 OE2 GLU A 75 0.041 -2.903 -11.843 1.00 0.00 O ATOM 0 H GLU A 75 1.324 0.101 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 75 2.577 0.120 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.163 -1.210 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.330 0.351 -9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.136 -0.428 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.834 -0.369 -11.399 1.00 0.00 H new ATOM 1120 N ILE A 76 2.408 2.549 -9.508 1.00 0.00 N ATOM 1121 CA ILE A 76 2.345 4.001 -9.481 1.00 0.00 C ATOM 1122 C ILE A 76 2.232 4.529 -10.913 1.00 0.00 C ATOM 1123 O ILE A 76 3.136 4.336 -11.723 1.00 0.00 O ATOM 1124 CB ILE A 76 3.536 4.574 -8.708 1.00 0.00 C ATOM 1125 CG1 ILE A 76 3.525 4.097 -7.255 1.00 0.00 C ATOM 1126 CG2 ILE A 76 3.573 6.100 -8.812 1.00 0.00 C ATOM 1127 CD1 ILE A 76 4.448 4.958 -6.389 1.00 0.00 C ATOM 0 H ILE A 76 3.193 2.165 -10.034 1.00 0.00 H new ATOM 0 HA ILE A 76 1.455 4.334 -8.946 1.00 0.00 H new ATOM 0 HB ILE A 76 4.453 4.199 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.509 4.138 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.843 3.055 -7.208 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.428 6.482 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.663 6.391 -9.859 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.655 6.515 -8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.422 4.598 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.467 4.895 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.113 5.995 -6.419 1.00 0.00 H new ATOM 1138 N SER A 77 1.111 5.183 -11.180 1.00 0.00 N ATOM 1139 CA SER A 77 0.866 5.739 -12.500 1.00 0.00 C ATOM 1140 C SER A 77 1.197 7.233 -12.509 1.00 0.00 C ATOM 1141 O SER A 77 0.597 8.009 -11.769 1.00 0.00 O ATOM 1142 CB SER A 77 -0.585 5.515 -12.933 1.00 0.00 C ATOM 1143 OG SER A 77 -0.730 5.542 -14.349 1.00 0.00 O ATOM 0 H SER A 77 0.363 5.340 -10.505 1.00 0.00 H new ATOM 0 HA SER A 77 1.513 5.225 -13.212 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.933 4.555 -12.551 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.218 6.283 -12.489 1.00 0.00 H new ATOM 0 HG SER A 77 -1.670 5.394 -14.585 1.00 0.00 H new ATOM 1148 N SER A 78 2.152 7.589 -13.355 1.00 0.00 N ATOM 1149 CA SER A 78 2.570 8.975 -13.471 1.00 0.00 C ATOM 1150 C SER A 78 1.348 9.880 -13.632 1.00 0.00 C ATOM 1151 O SER A 78 1.387 11.054 -13.266 1.00 0.00 O ATOM 1152 CB SER A 78 3.531 9.165 -14.647 1.00 0.00 C ATOM 1153 OG SER A 78 4.655 8.295 -14.565 1.00 0.00 O ATOM 0 H SER A 78 2.648 6.941 -13.967 1.00 0.00 H new ATOM 0 HA SER A 78 3.098 9.249 -12.558 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.000 8.984 -15.582 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.874 10.199 -14.671 1.00 0.00 H new ATOM 0 HG SER A 78 5.243 8.446 -15.334 1.00 0.00 H new ATOM 1158 N ASP A 79 0.291 9.299 -14.180 1.00 0.00 N ATOM 1159 CA ASP A 79 -0.942 10.037 -14.395 1.00 0.00 C ATOM 1160 C ASP A 79 -1.427 10.612 -13.062 1.00 0.00 C ATOM 1161 O ASP A 79 -2.197 11.571 -13.039 1.00 0.00 O ATOM 1162 CB ASP A 79 -2.041 9.127 -14.946 1.00 0.00 C ATOM 1163 CG ASP A 79 -1.879 8.732 -16.415 1.00 0.00 C ATOM 1164 OD1 ASP A 79 -0.854 9.141 -17.002 1.00 0.00 O ATOM 1165 OD2 ASP A 79 -2.784 8.031 -16.918 1.00 0.00 O ATOM 0 H ASP A 79 0.263 8.325 -14.482 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.738 10.831 -15.114 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.076 8.219 -14.343 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.001 9.628 -14.824 1.00 0.00 H new ATOM 1169 N GLY A 80 -0.956 10.001 -11.985 1.00 0.00 N ATOM 1170 CA GLY A 80 -1.332 10.439 -10.652 1.00 0.00 C ATOM 1171 C GLY A 80 -2.200 9.389 -9.954 1.00 0.00 C ATOM 1172 O GLY A 80 -3.182 9.729 -9.296 1.00 0.00 O ATOM 0 H GLY A 80 -0.317 9.206 -12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.436 10.627 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.875 11.382 -10.715 1.00 0.00 H new ATOM 1176 N LEU A 81 -1.808 8.136 -10.124 1.00 0.00 N ATOM 1177 CA LEU A 81 -2.537 7.034 -9.518 1.00 0.00 C ATOM 1178 C LEU A 81 -1.550 6.100 -8.813 1.00 0.00 C ATOM 1179 O LEU A 81 -0.634 5.572 -9.439 1.00 0.00 O ATOM 1180 CB LEU A 81 -3.410 6.332 -10.561 1.00 0.00 C ATOM 1181 CG LEU A 81 -4.841 6.007 -10.129 1.00 0.00 C ATOM 1182 CD1 LEU A 81 -4.850 5.188 -8.838 1.00 0.00 C ATOM 1183 CD2 LEU A 81 -5.679 7.282 -10.005 1.00 0.00 C ATOM 0 H LEU A 81 -0.994 7.858 -10.673 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.224 7.405 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.454 6.960 -11.451 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.919 5.403 -10.851 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.301 5.393 -10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.879 4.970 -8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.312 4.253 -8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.365 5.756 -8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.692 7.023 -9.697 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.231 7.941 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.712 7.791 -10.968 1.00 0.00 H new ATOM 1194 N ILE A 82 -1.773 5.927 -7.518 1.00 0.00 N ATOM 1195 CA ILE A 82 -0.915 5.067 -6.720 1.00 0.00 C ATOM 1196 C ILE A 82 -1.759 3.962 -6.083 1.00 0.00 C ATOM 1197 O ILE A 82 -2.765 4.240 -5.434 1.00 0.00 O ATOM 1198 CB ILE A 82 -0.120 5.894 -5.709 1.00 0.00 C ATOM 1199 CG1 ILE A 82 0.478 7.139 -6.367 1.00 0.00 C ATOM 1200 CG2 ILE A 82 0.948 5.039 -5.022 1.00 0.00 C ATOM 1201 CD1 ILE A 82 -0.452 8.343 -6.209 1.00 0.00 C ATOM 0 H ILE A 82 -2.535 6.367 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.173 4.578 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.805 6.238 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.446 7.362 -5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.653 6.947 -7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.500 5.650 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.470 4.211 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.636 4.646 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.003 9.214 -6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.411 8.126 -6.679 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.605 8.548 -5.149 1.00 0.00 H new ATOM 1212 N VAL A 83 -1.319 2.730 -6.291 1.00 0.00 N ATOM 1213 CA VAL A 83 -2.021 1.581 -5.746 1.00 0.00 C ATOM 1214 C VAL A 83 -1.022 0.665 -5.039 1.00 0.00 C ATOM 1215 O VAL A 83 0.113 0.511 -5.491 1.00 0.00 O ATOM 1216 CB VAL A 83 -2.802 0.872 -6.856 1.00 0.00 C ATOM 1217 CG1 VAL A 83 -1.858 0.330 -7.930 1.00 0.00 C ATOM 1218 CG2 VAL A 83 -3.677 -0.244 -6.281 1.00 0.00 C ATOM 0 H VAL A 83 -0.484 2.502 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.752 1.897 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.458 1.605 -7.326 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.438 -0.169 -8.706 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.296 1.154 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.166 -0.382 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.222 -0.732 -7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.047 -0.975 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.386 0.180 -5.570 1.00 0.00 H new ATOM 1228 N LEU A 84 -1.478 0.079 -3.942 1.00 0.00 N ATOM 1229 CA LEU A 84 -0.637 -0.819 -3.168 1.00 0.00 C ATOM 1230 C LEU A 84 -1.296 -2.198 -3.100 1.00 0.00 C ATOM 1231 O LEU A 84 -2.459 -2.316 -2.715 1.00 0.00 O ATOM 1232 CB LEU A 84 -0.331 -0.216 -1.796 1.00 0.00 C ATOM 1233 CG LEU A 84 1.037 -0.556 -1.202 1.00 0.00 C ATOM 1234 CD1 LEU A 84 1.077 -2.004 -0.710 1.00 0.00 C ATOM 1235 CD2 LEU A 84 2.157 -0.260 -2.202 1.00 0.00 C ATOM 0 H LEU A 84 -2.419 0.208 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 84 0.329 -0.951 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.412 0.868 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.100 -0.545 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 84 1.201 0.083 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.061 -2.219 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.317 -2.148 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.882 -2.677 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.119 -0.510 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.008 -0.857 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.142 0.798 -2.462 1.00 0.00 H new ATOM 1246 N MET A 85 -0.525 -3.206 -3.479 1.00 0.00 N ATOM 1247 CA MET A 85 -1.020 -4.572 -3.466 1.00 0.00 C ATOM 1248 C MET A 85 -0.200 -5.444 -2.513 1.00 0.00 C ATOM 1249 O MET A 85 0.994 -5.648 -2.724 1.00 0.00 O ATOM 1250 CB MET A 85 -0.947 -5.155 -4.880 1.00 0.00 C ATOM 1251 CG MET A 85 -2.107 -4.648 -5.741 1.00 0.00 C ATOM 1252 SD MET A 85 -1.478 -3.691 -7.110 1.00 0.00 S ATOM 1253 CE MET A 85 -0.773 -2.311 -6.225 1.00 0.00 C ATOM 0 H MET A 85 0.439 -3.104 -3.797 1.00 0.00 H new ATOM 0 HA MET A 85 -2.054 -4.560 -3.120 1.00 0.00 H new ATOM 0 HB2 MET A 85 0.001 -4.881 -5.342 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.974 -6.244 -4.831 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.690 -5.491 -6.113 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.779 -4.037 -5.138 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.333 -1.610 -6.935 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.553 -1.808 -5.654 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.001 -2.671 -5.545 1.00 0.00 H new ATOM 1261 N LEU A 86 -0.874 -5.934 -1.482 1.00 0.00 N ATOM 1262 CA LEU A 86 -0.223 -6.779 -0.496 1.00 0.00 C ATOM 1263 C LEU A 86 -1.042 -8.057 -0.308 1.00 0.00 C ATOM 1264 O LEU A 86 -2.260 -8.049 -0.475 1.00 0.00 O ATOM 1265 CB LEU A 86 0.015 -6.003 0.801 1.00 0.00 C ATOM 1266 CG LEU A 86 0.628 -4.610 0.647 1.00 0.00 C ATOM 1267 CD1 LEU A 86 0.648 -3.869 1.986 1.00 0.00 C ATOM 1268 CD2 LEU A 86 2.018 -4.690 0.015 1.00 0.00 C ATOM 0 H LEU A 86 -1.864 -5.762 -1.309 1.00 0.00 H new ATOM 0 HA LEU A 86 0.765 -7.081 -0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.938 -5.903 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.667 -6.596 1.441 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.001 -4.033 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.089 -2.882 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.371 -3.763 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.241 -4.434 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.431 -3.686 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.671 -5.291 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.944 -5.150 -0.970 1.00 0.00 H new ATOM 1279 N ASP A 87 -0.340 -9.126 0.039 1.00 0.00 N ATOM 1280 CA ASP A 87 -0.987 -10.409 0.254 1.00 0.00 C ATOM 1281 C ASP A 87 -1.497 -10.484 1.694 1.00 0.00 C ATOM 1282 O ASP A 87 -1.176 -9.625 2.516 1.00 0.00 O ATOM 1283 CB ASP A 87 -0.006 -11.563 0.041 1.00 0.00 C ATOM 1284 CG ASP A 87 0.002 -12.152 -1.372 1.00 0.00 C ATOM 1285 OD1 ASP A 87 -0.099 -11.347 -2.323 1.00 0.00 O ATOM 1286 OD2 ASP A 87 0.112 -13.394 -1.469 1.00 0.00 O ATOM 0 H ASP A 87 0.671 -9.130 0.177 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.807 -10.496 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.999 -11.214 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.244 -12.357 0.748 1.00 0.00 H new ATOM 1290 N LYS A 88 -2.284 -11.517 1.958 1.00 0.00 N ATOM 1291 CA LYS A 88 -2.841 -11.713 3.285 1.00 0.00 C ATOM 1292 C LYS A 88 -1.740 -12.199 4.229 1.00 0.00 C ATOM 1293 O LYS A 88 -1.768 -11.908 5.424 1.00 0.00 O ATOM 1294 CB LYS A 88 -4.053 -12.645 3.224 1.00 0.00 C ATOM 1295 CG LYS A 88 -4.717 -12.772 4.597 1.00 0.00 C ATOM 1296 CD LYS A 88 -5.365 -11.450 5.015 1.00 0.00 C ATOM 1297 CE LYS A 88 -6.200 -11.628 6.286 1.00 0.00 C ATOM 1298 NZ LYS A 88 -7.635 -11.752 5.949 1.00 0.00 N ATOM 0 H LYS A 88 -2.549 -12.227 1.275 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.212 -10.770 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.774 -12.263 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.742 -13.629 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -5.471 -13.558 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.975 -13.068 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.593 -10.700 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.998 -11.080 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.869 -12.516 6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.048 -10.777 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.208 -11.567 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.879 -11.063 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.829 -12.714 5.603 1.00 0.00 H new ATOM 1308 N GLU A 89 -0.794 -12.931 3.658 1.00 0.00 N ATOM 1309 CA GLU A 89 0.315 -13.458 4.433 1.00 0.00 C ATOM 1310 C GLU A 89 1.236 -12.322 4.883 1.00 0.00 C ATOM 1311 O GLU A 89 2.094 -12.517 5.744 1.00 0.00 O ATOM 1312 CB GLU A 89 1.091 -14.510 3.637 1.00 0.00 C ATOM 1313 CG GLU A 89 1.689 -13.903 2.366 1.00 0.00 C ATOM 1314 CD GLU A 89 1.118 -14.573 1.115 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -0.077 -14.939 1.165 1.00 0.00 O ATOM 1316 OE2 GLU A 89 1.886 -14.704 0.139 1.00 0.00 O ATOM 0 H GLU A 89 -0.774 -13.171 2.667 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.088 -13.946 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.887 -14.926 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.428 -15.334 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.480 -12.834 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.773 -14.016 2.380 1.00 0.00 H new ATOM 1321 N ILE A 90 1.029 -11.160 4.280 1.00 0.00 N ATOM 1322 CA ILE A 90 1.831 -9.993 4.607 1.00 0.00 C ATOM 1323 C ILE A 90 0.906 -8.831 4.975 1.00 0.00 C ATOM 1324 O ILE A 90 1.235 -7.671 4.733 1.00 0.00 O ATOM 1325 CB ILE A 90 2.798 -9.672 3.466 1.00 0.00 C ATOM 1326 CG1 ILE A 90 2.059 -9.058 2.277 1.00 0.00 C ATOM 1327 CG2 ILE A 90 3.602 -10.911 3.065 1.00 0.00 C ATOM 1328 CD1 ILE A 90 3.044 -8.459 1.270 1.00 0.00 C ATOM 0 H ILE A 90 0.317 -11.002 3.567 1.00 0.00 H new ATOM 0 HA ILE A 90 2.456 -10.191 5.478 1.00 0.00 H new ATOM 0 HB ILE A 90 3.510 -8.927 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.452 -9.820 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.377 -8.284 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.282 -10.656 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.176 -11.265 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.921 -11.696 2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.493 -8.029 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.633 -7.681 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.709 -9.241 0.902 1.00 0.00 H new ATOM 1339 N GLU A 91 -0.233 -9.183 5.553 1.00 0.00 N ATOM 1340 CA GLU A 91 -1.206 -8.184 5.956 1.00 0.00 C ATOM 1341 C GLU A 91 -0.549 -7.131 6.850 1.00 0.00 C ATOM 1342 O GLU A 91 -1.025 -6.000 6.936 1.00 0.00 O ATOM 1343 CB GLU A 91 -2.399 -8.834 6.663 1.00 0.00 C ATOM 1344 CG GLU A 91 -3.499 -7.806 6.939 1.00 0.00 C ATOM 1345 CD GLU A 91 -4.342 -8.218 8.148 1.00 0.00 C ATOM 1346 OE1 GLU A 91 -3.928 -7.869 9.275 1.00 0.00 O ATOM 1347 OE2 GLU A 91 -5.381 -8.873 7.918 1.00 0.00 O ATOM 0 H GLU A 91 -0.503 -10.146 5.752 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.580 -7.689 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.796 -9.641 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.071 -9.282 7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.052 -6.828 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.138 -7.707 6.062 1.00 0.00 H new ATOM 1352 N GLU A 92 0.536 -7.538 7.492 1.00 0.00 N ATOM 1353 CA GLU A 92 1.263 -6.644 8.376 1.00 0.00 C ATOM 1354 C GLU A 92 1.660 -5.369 7.631 1.00 0.00 C ATOM 1355 O GLU A 92 1.443 -4.263 8.125 1.00 0.00 O ATOM 1356 CB GLU A 92 2.491 -7.338 8.968 1.00 0.00 C ATOM 1357 CG GLU A 92 3.555 -7.579 7.895 1.00 0.00 C ATOM 1358 CD GLU A 92 4.686 -8.460 8.433 1.00 0.00 C ATOM 1359 OE1 GLU A 92 4.789 -8.557 9.674 1.00 0.00 O ATOM 1360 OE2 GLU A 92 5.421 -9.016 7.589 1.00 0.00 O ATOM 0 H GLU A 92 0.929 -8.476 7.417 1.00 0.00 H new ATOM 0 HA GLU A 92 0.608 -6.369 9.203 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.908 -6.727 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.197 -8.288 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.100 -8.055 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.961 -6.625 7.559 1.00 0.00 H new ATOM 1365 N VAL A 93 2.236 -5.563 6.452 1.00 0.00 N ATOM 1366 CA VAL A 93 2.664 -4.442 5.635 1.00 0.00 C ATOM 1367 C VAL A 93 1.455 -3.563 5.308 1.00 0.00 C ATOM 1368 O VAL A 93 1.580 -2.345 5.195 1.00 0.00 O ATOM 1369 CB VAL A 93 3.388 -4.952 4.386 1.00 0.00 C ATOM 1370 CG1 VAL A 93 2.451 -5.786 3.512 1.00 0.00 C ATOM 1371 CG2 VAL A 93 3.993 -3.792 3.592 1.00 0.00 C ATOM 0 H VAL A 93 2.416 -6.481 6.044 1.00 0.00 H new ATOM 0 HA VAL A 93 3.378 -3.823 6.179 1.00 0.00 H new ATOM 0 HB VAL A 93 4.204 -5.597 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.990 -6.136 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.090 -6.643 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.604 -5.175 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.502 -4.181 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.201 -3.110 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.708 -3.257 4.217 1.00 0.00 H new ATOM 1381 N VAL A 94 0.311 -4.216 5.164 1.00 0.00 N ATOM 1382 CA VAL A 94 -0.920 -3.509 4.851 1.00 0.00 C ATOM 1383 C VAL A 94 -1.143 -2.401 5.881 1.00 0.00 C ATOM 1384 O VAL A 94 -1.392 -1.252 5.518 1.00 0.00 O ATOM 1385 CB VAL A 94 -2.085 -4.498 4.775 1.00 0.00 C ATOM 1386 CG1 VAL A 94 -3.084 -4.258 5.909 1.00 0.00 C ATOM 1387 CG2 VAL A 94 -2.776 -4.426 3.413 1.00 0.00 C ATOM 0 H VAL A 94 0.210 -5.227 5.258 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.850 -3.033 3.873 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.679 -5.503 4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.902 -4.974 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.582 -4.383 6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.481 -3.245 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.600 -5.139 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.161 -3.419 3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.060 -4.669 2.628 1.00 0.00 H new ATOM 1397 N GLU A 95 -1.045 -2.784 7.146 1.00 0.00 N ATOM 1398 CA GLU A 95 -1.230 -1.835 8.232 1.00 0.00 C ATOM 1399 C GLU A 95 -0.042 -0.875 8.309 1.00 0.00 C ATOM 1400 O GLU A 95 -0.209 0.301 8.626 1.00 0.00 O ATOM 1401 CB GLU A 95 -1.439 -2.560 9.563 1.00 0.00 C ATOM 1402 CG GLU A 95 -2.259 -3.837 9.370 1.00 0.00 C ATOM 1403 CD GLU A 95 -2.902 -4.279 10.685 1.00 0.00 C ATOM 1404 OE1 GLU A 95 -2.172 -4.289 11.700 1.00 0.00 O ATOM 1405 OE2 GLU A 95 -4.110 -4.598 10.647 1.00 0.00 O ATOM 0 H GLU A 95 -0.840 -3.738 7.443 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.128 -1.251 8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.472 -2.807 10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.948 -1.899 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.033 -3.667 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.617 -4.632 8.990 1.00 0.00 H new ATOM 1410 N LYS A 96 1.133 -1.414 8.012 1.00 0.00 N ATOM 1411 CA LYS A 96 2.349 -0.620 8.045 1.00 0.00 C ATOM 1412 C LYS A 96 2.329 0.382 6.890 1.00 0.00 C ATOM 1413 O LYS A 96 2.903 1.465 6.992 1.00 0.00 O ATOM 1414 CB LYS A 96 3.580 -1.527 8.052 1.00 0.00 C ATOM 1415 CG LYS A 96 3.410 -2.679 9.045 1.00 0.00 C ATOM 1416 CD LYS A 96 4.468 -2.613 10.147 1.00 0.00 C ATOM 1417 CE LYS A 96 3.824 -2.678 11.533 1.00 0.00 C ATOM 1418 NZ LYS A 96 4.775 -2.216 12.569 1.00 0.00 N ATOM 0 H LYS A 96 1.267 -2.390 7.748 1.00 0.00 H new ATOM 0 HA LYS A 96 2.403 -0.042 8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.747 -1.927 7.052 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.463 -0.944 8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.415 -2.638 9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.486 -3.631 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.171 -3.438 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.040 -1.690 10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.927 -2.059 11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.511 -3.700 11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.322 -2.267 13.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.620 -2.823 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.053 -1.233 12.372 1.00 0.00 H new ATOM 1428 N VAL A 97 1.662 -0.015 5.816 1.00 0.00 N ATOM 1429 CA VAL A 97 1.560 0.835 4.641 1.00 0.00 C ATOM 1430 C VAL A 97 0.564 1.963 4.918 1.00 0.00 C ATOM 1431 O VAL A 97 0.838 3.125 4.623 1.00 0.00 O ATOM 1432 CB VAL A 97 1.187 -0.004 3.418 1.00 0.00 C ATOM 1433 CG1 VAL A 97 0.367 0.815 2.419 1.00 0.00 C ATOM 1434 CG2 VAL A 97 2.433 -0.591 2.754 1.00 0.00 C ATOM 0 H VAL A 97 1.187 -0.914 5.735 1.00 0.00 H new ATOM 0 HA VAL A 97 2.522 1.297 4.420 1.00 0.00 H new ATOM 0 HB VAL A 97 0.567 -0.834 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.115 0.194 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.549 1.161 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.950 1.674 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.139 -1.183 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.090 0.218 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.959 -1.227 3.466 1.00 0.00 H new ATOM 1444 N LYS A 98 -0.572 1.581 5.484 1.00 0.00 N ATOM 1445 CA LYS A 98 -1.611 2.546 5.804 1.00 0.00 C ATOM 1446 C LYS A 98 -1.039 3.614 6.737 1.00 0.00 C ATOM 1447 O LYS A 98 -1.226 4.807 6.509 1.00 0.00 O ATOM 1448 CB LYS A 98 -2.847 1.838 6.362 1.00 0.00 C ATOM 1449 CG LYS A 98 -3.811 1.451 5.240 1.00 0.00 C ATOM 1450 CD LYS A 98 -5.236 1.287 5.775 1.00 0.00 C ATOM 1451 CE LYS A 98 -5.993 2.616 5.739 1.00 0.00 C ATOM 1452 NZ LYS A 98 -5.398 3.578 6.694 1.00 0.00 N ATOM 0 H LYS A 98 -0.796 0.617 5.729 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.947 3.058 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.543 0.945 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.354 2.490 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.796 2.215 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.482 0.520 4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.768 0.545 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.203 0.911 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.964 3.030 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.042 2.451 5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.010 4.415 6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.308 3.129 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.458 3.866 6.356 1.00 0.00 H new ATOM 1462 N LYS A 99 -0.353 3.145 7.769 1.00 0.00 N ATOM 1463 CA LYS A 99 0.248 4.046 8.738 1.00 0.00 C ATOM 1464 C LYS A 99 1.366 4.842 8.064 1.00 0.00 C ATOM 1465 O LYS A 99 1.577 6.012 8.380 1.00 0.00 O ATOM 1466 CB LYS A 99 0.705 3.273 9.977 1.00 0.00 C ATOM 1467 CG LYS A 99 1.724 2.195 9.606 1.00 0.00 C ATOM 1468 CD LYS A 99 3.151 2.745 9.666 1.00 0.00 C ATOM 1469 CE LYS A 99 3.862 2.286 10.940 1.00 0.00 C ATOM 1470 NZ LYS A 99 3.558 3.204 12.062 1.00 0.00 N ATOM 0 H LYS A 99 -0.200 2.154 7.955 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.488 4.768 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.145 3.962 10.698 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.156 2.813 10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.628 1.349 10.286 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.516 1.823 8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.711 2.411 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.127 3.834 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.547 1.274 11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.938 2.252 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.048 2.878 12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.880 4.164 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.532 3.215 12.233 1.00 0.00 H new ATOM 1480 N PHE A 100 2.054 4.177 7.148 1.00 0.00 N ATOM 1481 CA PHE A 100 3.147 4.807 6.427 1.00 0.00 C ATOM 1482 C PHE A 100 2.640 5.972 5.574 1.00 0.00 C ATOM 1483 O PHE A 100 3.165 7.080 5.654 1.00 0.00 O ATOM 1484 CB PHE A 100 3.751 3.743 5.510 1.00 0.00 C ATOM 1485 CG PHE A 100 4.079 4.248 4.103 1.00 0.00 C ATOM 1486 CD1 PHE A 100 4.775 5.404 3.940 1.00 0.00 C ATOM 1487 CD2 PHE A 100 3.674 3.539 3.015 1.00 0.00 C ATOM 1488 CE1 PHE A 100 5.079 5.872 2.635 1.00 0.00 C ATOM 1489 CE2 PHE A 100 3.978 4.006 1.708 1.00 0.00 C ATOM 1490 CZ PHE A 100 4.674 5.164 1.546 1.00 0.00 C ATOM 0 H PHE A 100 1.876 3.207 6.888 1.00 0.00 H new ATOM 0 HA PHE A 100 3.881 5.199 7.131 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.662 3.358 5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.055 2.908 5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.097 5.967 4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 100 3.121 2.620 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.632 6.791 2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.657 3.443 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 100 4.905 5.521 0.553 1.00 0.00 H new ATOM 1499 N VAL A 101 1.624 5.680 4.774 1.00 0.00 N ATOM 1500 CA VAL A 101 1.039 6.688 3.906 1.00 0.00 C ATOM 1501 C VAL A 101 0.540 7.858 4.756 1.00 0.00 C ATOM 1502 O VAL A 101 0.873 9.011 4.488 1.00 0.00 O ATOM 1503 CB VAL A 101 -0.060 6.064 3.045 1.00 0.00 C ATOM 1504 CG1 VAL A 101 -0.810 7.136 2.251 1.00 0.00 C ATOM 1505 CG2 VAL A 101 0.515 4.994 2.114 1.00 0.00 C ATOM 0 H VAL A 101 1.191 4.759 4.709 1.00 0.00 H new ATOM 0 HA VAL A 101 1.788 7.081 3.218 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.774 5.580 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.586 6.665 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.267 7.846 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.112 7.661 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.287 4.566 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.260 5.445 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.982 4.208 2.708 1.00 0.00 H new ATOM 1515 N GLU A 102 -0.251 7.521 5.765 1.00 0.00 N ATOM 1516 CA GLU A 102 -0.800 8.530 6.654 1.00 0.00 C ATOM 1517 C GLU A 102 0.315 9.171 7.484 1.00 0.00 C ATOM 1518 O GLU A 102 0.163 10.285 7.980 1.00 0.00 O ATOM 1519 CB GLU A 102 -1.881 7.933 7.557 1.00 0.00 C ATOM 1520 CG GLU A 102 -1.265 7.297 8.805 1.00 0.00 C ATOM 1521 CD GLU A 102 -2.318 6.528 9.606 1.00 0.00 C ATOM 1522 OE1 GLU A 102 -2.661 5.411 9.165 1.00 0.00 O ATOM 1523 OE2 GLU A 102 -2.753 7.076 10.642 1.00 0.00 O ATOM 0 H GLU A 102 -0.524 6.563 5.986 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.266 9.306 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.585 8.712 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.448 7.183 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.460 6.622 8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.821 8.071 9.431 1.00 0.00 H new ATOM 1528 N GLU A 103 1.413 8.438 7.606 1.00 0.00 N ATOM 1529 CA GLU A 103 2.553 8.921 8.366 1.00 0.00 C ATOM 1530 C GLU A 103 3.273 10.029 7.595 1.00 0.00 C ATOM 1531 O GLU A 103 3.759 10.990 8.191 1.00 0.00 O ATOM 1532 CB GLU A 103 3.511 7.776 8.704 1.00 0.00 C ATOM 1533 CG GLU A 103 3.167 7.156 10.060 1.00 0.00 C ATOM 1534 CD GLU A 103 3.920 7.856 11.192 1.00 0.00 C ATOM 1535 OE1 GLU A 103 5.056 7.417 11.475 1.00 0.00 O ATOM 1536 OE2 GLU A 103 3.344 8.815 11.748 1.00 0.00 O ATOM 0 H GLU A 103 1.537 7.514 7.191 1.00 0.00 H new ATOM 0 HA GLU A 103 2.190 9.336 9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.460 7.013 7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.536 8.147 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.093 7.228 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.419 6.095 10.053 1.00 0.00 H new ATOM 1541 N ASN A 104 3.317 9.860 6.282 1.00 0.00 N ATOM 1542 CA ASN A 104 3.969 10.834 5.425 1.00 0.00 C ATOM 1543 C ASN A 104 3.022 12.012 5.186 1.00 0.00 C ATOM 1544 O ASN A 104 3.465 13.147 5.021 1.00 0.00 O ATOM 1545 CB ASN A 104 4.316 10.225 4.064 1.00 0.00 C ATOM 1546 CG ASN A 104 5.735 10.610 3.637 1.00 0.00 C ATOM 1547 OD1 ASN A 104 5.946 11.361 2.698 1.00 0.00 O ATOM 1548 ND2 ASN A 104 6.691 10.057 4.377 1.00 0.00 N ATOM 0 H ASN A 104 2.912 9.063 5.791 1.00 0.00 H new ATOM 0 HA ASN A 104 4.884 11.159 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 104 4.229 9.140 4.114 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.602 10.567 3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.671 10.252 4.173 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.444 9.437 5.149 1.00 0.00 H new ATOM 1554 N ASN A 105 1.734 11.702 5.177 1.00 0.00 N ATOM 1555 CA ASN A 105 0.719 12.721 4.963 1.00 0.00 C ATOM 1556 C ASN A 105 1.125 14.000 5.696 1.00 0.00 C ATOM 1557 O ASN A 105 0.404 14.996 5.660 1.00 0.00 O ATOM 1558 CB ASN A 105 -0.637 12.272 5.510 1.00 0.00 C ATOM 1559 CG ASN A 105 -1.508 11.683 4.400 1.00 0.00 C ATOM 1560 OD1 ASN A 105 -2.454 12.292 3.928 1.00 0.00 O ATOM 1561 ND2 ASN A 105 -1.138 10.466 4.009 1.00 0.00 N ATOM 0 H ASN A 105 1.369 10.759 5.314 1.00 0.00 H new ATOM 0 HA ASN A 105 0.635 12.893 3.890 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -0.489 11.529 6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.148 13.120 5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -1.656 9.987 3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -0.336 10.012 4.446 1.00 0.00 H new