USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 846 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 37 ASN : amide:sc= 1.82 K(o=0.56,f=-7.7!) USER MOD Set 1.2: A 77 HIS : +bothHN:sc= -1.93 K(o=0.56,f=-11!) USER MOD Set 1.3: A 81 HIS : no HE2:sc= 1.92 K(o=0.56,f=-19!) USER MOD Set 1.4: A 100 HIS : +bothHN:sc= -1.25 K(o=0.56,f=-17!) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= -0.018 (180deg=-0.199) USER MOD Single : A 12 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.78) USER MOD Single : A 13 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.44) USER MOD Single : A 16 LYS NZ :NH3+ 129:sc= -0.0905 (180deg=-0.558) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= -0.427 (180deg=-0.689) USER MOD Single : A 23 LYS NZ :NH3+ 136:sc= 1.21 (180deg=-0.735!) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 1.17 (180deg=0.826) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0747 K(o=-0.075,f=-0.67) USER MOD Single : A 38 GLN : amide:sc= -0.0804 K(o=-0.08,f=-1.4!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0416 K(o=-0.042,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -130:sc= -0.309 USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= 1.23 (180deg=-0.169) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.0982 (180deg=-0.485) USER MOD Single : A 60 ASN : amide:sc= -1.46! C(o=-1.5!,f=-6.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.96! C(o=-2.5!,f=-2!) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= 1.33 (180deg=1.21) USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 1.24 (180deg=1.16) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 71:sc= 0.603 USER MOD Single : A 98 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.081) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 102 GLN : amide:sc=-0.00921 K(o=-0.0092,f=-0.92) USER MOD Single : A 105 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 107 HIS : no HE2:sc= -5.34! C(o=-5.3!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 7 -10.693 -6.443 -3.395 1.00 0.00 N ATOM 106 CA LEU A 7 -9.938 -5.712 -2.389 1.00 0.00 C ATOM 107 C LEU A 7 -8.442 -5.783 -2.686 1.00 0.00 C ATOM 108 O LEU A 7 -7.693 -4.845 -2.403 1.00 0.00 O ATOM 109 CB LEU A 7 -10.231 -6.271 -0.993 1.00 0.00 C ATOM 110 CG LEU A 7 -11.713 -6.299 -0.598 1.00 0.00 C ATOM 111 CD1 LEU A 7 -11.878 -6.770 0.839 1.00 0.00 C ATOM 112 CD2 LEU A 7 -12.350 -4.934 -0.781 1.00 0.00 C ATOM 0 HA LEU A 7 -10.246 -4.667 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.837 -7.286 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.687 -5.676 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.221 -7.005 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.937 -6.782 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.467 -7.774 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.348 -6.091 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.400 -4.981 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.835 -4.205 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.273 -4.633 -1.826 1.00 0.00 H new ATOM 124 N LEU A 8 -8.026 -6.892 -3.293 1.00 0.00 N ATOM 125 CA LEU A 8 -6.623 -7.128 -3.619 1.00 0.00 C ATOM 126 C LEU A 8 -6.097 -6.088 -4.605 1.00 0.00 C ATOM 127 O LEU A 8 -4.911 -5.752 -4.596 1.00 0.00 O ATOM 128 CB LEU A 8 -6.446 -8.523 -4.222 1.00 0.00 C ATOM 129 CG LEU A 8 -7.046 -9.671 -3.411 1.00 0.00 C ATOM 130 CD1 LEU A 8 -6.740 -11.009 -4.067 1.00 0.00 C ATOM 131 CD2 LEU A 8 -6.532 -9.645 -1.983 1.00 0.00 C ATOM 0 H LEU A 8 -8.650 -7.649 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.054 -7.050 -2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.894 -8.530 -5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.380 -8.711 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.128 -9.542 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.176 -11.813 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.164 -11.027 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.660 -11.146 -4.127 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.971 -10.470 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.447 -9.745 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.808 -8.701 -1.514 1.00 0.00 H new ATOM 143 N LYS A 9 -6.993 -5.588 -5.452 1.00 0.00 N ATOM 144 CA LYS A 9 -6.624 -4.675 -6.532 1.00 0.00 C ATOM 145 C LYS A 9 -5.983 -3.403 -5.989 1.00 0.00 C ATOM 146 O LYS A 9 -5.074 -2.850 -6.603 1.00 0.00 O ATOM 147 CB LYS A 9 -7.860 -4.309 -7.365 1.00 0.00 C ATOM 148 CG LYS A 9 -8.690 -5.507 -7.810 1.00 0.00 C ATOM 149 CD LYS A 9 -7.894 -6.467 -8.675 1.00 0.00 C ATOM 150 CE LYS A 9 -8.722 -7.684 -9.064 1.00 0.00 C ATOM 151 NZ LYS A 9 -9.945 -7.315 -9.829 1.00 0.00 N ATOM 0 H LYS A 9 -7.989 -5.802 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.897 -5.187 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.492 -3.640 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.539 -3.756 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.062 -6.035 -6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.561 -5.158 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.556 -5.953 -9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.002 -6.789 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.111 -8.359 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.009 -8.228 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.375 -8.173 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.625 -6.851 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.690 -6.663 -10.598 1.00 0.00 H new ATOM 165 N ALA A 10 -6.447 -2.957 -4.829 1.00 0.00 N ATOM 166 CA ALA A 10 -5.979 -1.702 -4.250 1.00 0.00 C ATOM 167 C ALA A 10 -4.533 -1.807 -3.769 1.00 0.00 C ATOM 168 O ALA A 10 -3.714 -0.933 -4.056 1.00 0.00 O ATOM 169 CB ALA A 10 -6.885 -1.285 -3.110 1.00 0.00 C ATOM 0 H ALA A 10 -7.147 -3.445 -4.270 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.011 -0.942 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.527 -0.347 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.900 -1.150 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.881 -2.057 -2.341 1.00 0.00 H new ATOM 175 N GLU A 11 -4.220 -2.881 -3.050 1.00 0.00 N ATOM 176 CA GLU A 11 -2.863 -3.097 -2.556 1.00 0.00 C ATOM 177 C GLU A 11 -1.910 -3.289 -3.739 1.00 0.00 C ATOM 178 O GLU A 11 -0.786 -2.795 -3.733 1.00 0.00 O ATOM 179 CB GLU A 11 -2.825 -4.313 -1.620 1.00 0.00 C ATOM 180 CG GLU A 11 -1.480 -4.552 -0.937 1.00 0.00 C ATOM 181 CD GLU A 11 -1.147 -3.540 0.151 1.00 0.00 C ATOM 182 OE1 GLU A 11 -0.906 -2.368 -0.142 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.063 -3.912 1.336 1.00 0.00 O ATOM 0 H GLU A 11 -4.884 -3.613 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.543 -2.224 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.589 -4.188 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.090 -5.203 -2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.478 -5.551 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.693 -4.531 -1.691 1.00 0.00 H new ATOM 190 N GLN A 12 -2.390 -3.988 -4.767 1.00 0.00 N ATOM 191 CA GLN A 12 -1.623 -4.189 -5.993 1.00 0.00 C ATOM 192 C GLN A 12 -1.372 -2.864 -6.711 1.00 0.00 C ATOM 193 O GLN A 12 -0.270 -2.611 -7.202 1.00 0.00 O ATOM 194 CB GLN A 12 -2.368 -5.155 -6.916 1.00 0.00 C ATOM 195 CG GLN A 12 -2.294 -6.606 -6.463 1.00 0.00 C ATOM 196 CD GLN A 12 -0.886 -7.176 -6.536 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.084 -6.781 -7.381 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.577 -8.113 -5.650 1.00 0.00 N ATOM 0 H GLN A 12 -3.311 -4.426 -4.773 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.656 -4.615 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.414 -4.854 -6.976 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.955 -5.075 -7.922 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.658 -6.681 -5.438 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.958 -7.209 -7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.269 -8.415 -4.964 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.353 -8.532 -5.654 1.00 0.00 H new ATOM 207 N GLN A 13 -2.404 -2.025 -6.763 1.00 0.00 N ATOM 208 CA GLN A 13 -2.310 -0.715 -7.403 1.00 0.00 C ATOM 209 C GLN A 13 -1.261 0.147 -6.720 1.00 0.00 C ATOM 210 O GLN A 13 -0.451 0.799 -7.384 1.00 0.00 O ATOM 211 CB GLN A 13 -3.670 -0.013 -7.357 1.00 0.00 C ATOM 212 CG GLN A 13 -3.675 1.372 -7.989 1.00 0.00 C ATOM 213 CD GLN A 13 -3.285 1.361 -9.456 1.00 0.00 C ATOM 214 OE1 GLN A 13 -3.536 0.395 -10.177 1.00 0.00 O ATOM 215 NE2 GLN A 13 -2.656 2.436 -9.905 1.00 0.00 N ATOM 0 H GLN A 13 -3.321 -2.231 -6.367 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.013 -0.861 -8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.406 -0.636 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.988 0.072 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.669 1.807 -7.887 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.987 2.017 -7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.466 3.216 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.361 2.484 -10.880 1.00 0.00 H new ATOM 224 N GLY A 14 -1.282 0.150 -5.393 1.00 0.00 N ATOM 225 CA GLY A 14 -0.301 0.912 -4.639 1.00 0.00 C ATOM 226 C GLY A 14 1.115 0.487 -4.964 1.00 0.00 C ATOM 227 O GLY A 14 1.977 1.325 -5.226 1.00 0.00 O ATOM 0 H GLY A 14 -1.959 -0.360 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.420 1.973 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.483 0.783 -3.572 1.00 0.00 H new ATOM 231 N ILE A 15 1.339 -0.821 -4.985 1.00 0.00 N ATOM 232 CA ILE A 15 2.641 -1.381 -5.330 1.00 0.00 C ATOM 233 C ILE A 15 3.041 -0.997 -6.755 1.00 0.00 C ATOM 234 O ILE A 15 4.206 -0.701 -7.030 1.00 0.00 O ATOM 235 CB ILE A 15 2.639 -2.921 -5.190 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.338 -3.322 -3.746 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.969 -3.513 -5.637 1.00 0.00 C ATOM 238 CD1 ILE A 15 2.255 -4.818 -3.534 1.00 0.00 C ATOM 0 H ILE A 15 0.629 -1.520 -4.765 1.00 0.00 H new ATOM 0 HA ILE A 15 3.369 -0.965 -4.633 1.00 0.00 H new ATOM 0 HB ILE A 15 1.857 -3.319 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.113 -2.914 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.395 -2.868 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.940 -4.597 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.148 -3.258 -6.682 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.773 -3.108 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.039 -5.026 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.461 -5.230 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.205 -5.277 -3.806 1.00 0.00 H new ATOM 250 N LYS A 16 2.065 -0.996 -7.655 1.00 0.00 N ATOM 251 CA LYS A 16 2.302 -0.646 -9.047 1.00 0.00 C ATOM 252 C LYS A 16 2.779 0.798 -9.167 1.00 0.00 C ATOM 253 O LYS A 16 3.702 1.096 -9.931 1.00 0.00 O ATOM 254 CB LYS A 16 1.029 -0.851 -9.869 1.00 0.00 C ATOM 255 CG LYS A 16 1.260 -0.801 -11.368 1.00 0.00 C ATOM 256 CD LYS A 16 -0.027 -1.036 -12.141 1.00 0.00 C ATOM 257 CE LYS A 16 0.248 -1.282 -13.615 1.00 0.00 C ATOM 258 NZ LYS A 16 1.043 -2.521 -13.823 1.00 0.00 N ATOM 0 H LYS A 16 1.097 -1.236 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 16 3.082 -1.300 -9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.590 -1.814 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.303 -0.085 -9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.677 0.169 -11.640 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.996 -1.554 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.555 -1.892 -11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.682 -0.172 -12.031 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.696 -1.360 -14.154 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.784 -0.430 -14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.575 -3.119 -14.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.996 -2.270 -14.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.115 -3.042 -12.926 1.00 0.00 H new ATOM 272 N ILE A 17 2.155 1.687 -8.402 1.00 0.00 N ATOM 273 CA ILE A 17 2.544 3.093 -8.395 1.00 0.00 C ATOM 274 C ILE A 17 3.935 3.256 -7.783 1.00 0.00 C ATOM 275 O ILE A 17 4.742 4.061 -8.255 1.00 0.00 O ATOM 276 CB ILE A 17 1.533 3.965 -7.613 1.00 0.00 C ATOM 277 CG1 ILE A 17 0.122 3.798 -8.185 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.946 5.432 -7.656 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.942 4.571 -7.430 1.00 0.00 C ATOM 0 H ILE A 17 1.379 1.460 -7.780 1.00 0.00 H new ATOM 0 HA ILE A 17 2.555 3.431 -9.431 1.00 0.00 H new ATOM 0 HB ILE A 17 1.529 3.633 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.122 4.121 -9.226 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.139 2.740 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.223 6.030 -7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.932 5.546 -7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.978 5.771 -8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.913 4.402 -7.895 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.972 4.232 -6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.707 5.635 -7.457 1.00 0.00 H new ATOM 291 N LEU A 18 4.217 2.467 -6.748 1.00 0.00 N ATOM 292 CA LEU A 18 5.513 2.507 -6.078 1.00 0.00 C ATOM 293 C LEU A 18 6.646 2.229 -7.069 1.00 0.00 C ATOM 294 O LEU A 18 7.699 2.863 -7.007 1.00 0.00 O ATOM 295 CB LEU A 18 5.558 1.487 -4.931 1.00 0.00 C ATOM 296 CG LEU A 18 4.576 1.735 -3.779 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.689 0.629 -2.741 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.823 3.091 -3.133 1.00 0.00 C ATOM 0 H LEU A 18 3.562 1.791 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 18 5.649 3.507 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.363 0.497 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.569 1.470 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 18 3.566 1.733 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.986 0.818 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.458 -0.330 -3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.704 0.605 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.113 3.241 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.839 3.127 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.694 3.877 -3.877 1.00 0.00 H new ATOM 310 N LYS A 19 6.412 1.293 -7.989 1.00 0.00 N ATOM 311 CA LYS A 19 7.396 0.957 -9.017 1.00 0.00 C ATOM 312 C LYS A 19 7.747 2.183 -9.856 1.00 0.00 C ATOM 313 O LYS A 19 8.918 2.451 -10.126 1.00 0.00 O ATOM 314 CB LYS A 19 6.869 -0.140 -9.943 1.00 0.00 C ATOM 315 CG LYS A 19 6.765 -1.517 -9.308 1.00 0.00 C ATOM 316 CD LYS A 19 6.292 -2.539 -10.329 1.00 0.00 C ATOM 317 CE LYS A 19 6.341 -3.956 -9.787 1.00 0.00 C ATOM 318 NZ LYS A 19 5.404 -4.150 -8.652 1.00 0.00 N ATOM 0 H LYS A 19 5.548 0.754 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 19 8.289 0.599 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.883 0.153 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.522 -0.205 -10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.735 -1.814 -8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.071 -1.485 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.272 -2.303 -10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.913 -2.472 -11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.095 -4.658 -10.584 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.356 -4.185 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.039 -5.124 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.904 -3.980 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.611 -3.482 -8.738 1.00 0.00 H new ATOM 332 N GLU A 20 6.721 2.921 -10.259 1.00 0.00 N ATOM 333 CA GLU A 20 6.901 4.097 -11.101 1.00 0.00 C ATOM 334 C GLU A 20 7.672 5.177 -10.353 1.00 0.00 C ATOM 335 O GLU A 20 8.565 5.818 -10.912 1.00 0.00 O ATOM 336 CB GLU A 20 5.543 4.641 -11.554 1.00 0.00 C ATOM 337 CG GLU A 20 4.752 3.675 -12.422 1.00 0.00 C ATOM 338 CD GLU A 20 5.493 3.294 -13.688 1.00 0.00 C ATOM 339 OE1 GLU A 20 5.659 4.164 -14.566 1.00 0.00 O ATOM 340 OE2 GLU A 20 5.931 2.130 -13.802 1.00 0.00 O ATOM 0 H GLU A 20 5.750 2.725 -10.015 1.00 0.00 H new ATOM 0 HA GLU A 20 7.475 3.804 -11.980 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.951 4.892 -10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.700 5.567 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.531 2.774 -11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.796 4.128 -12.686 1.00 0.00 H new ATOM 347 N VAL A 21 7.333 5.354 -9.084 1.00 0.00 N ATOM 348 CA VAL A 21 7.972 6.361 -8.249 1.00 0.00 C ATOM 349 C VAL A 21 9.462 6.074 -8.083 1.00 0.00 C ATOM 350 O VAL A 21 10.278 6.992 -8.120 1.00 0.00 O ATOM 351 CB VAL A 21 7.302 6.449 -6.861 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.021 7.450 -5.973 1.00 0.00 C ATOM 353 CG2 VAL A 21 5.836 6.827 -7.001 1.00 0.00 C ATOM 0 H VAL A 21 6.614 4.809 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 21 7.852 7.319 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 21 7.368 5.467 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.529 7.493 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.058 7.141 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.992 8.435 -6.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.379 6.885 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.755 7.795 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.321 6.072 -7.596 1.00 0.00 H new ATOM 363 N LEU A 22 9.812 4.801 -7.927 1.00 0.00 N ATOM 364 CA LEU A 22 11.213 4.407 -7.763 1.00 0.00 C ATOM 365 C LEU A 22 12.064 4.921 -8.919 1.00 0.00 C ATOM 366 O LEU A 22 13.141 5.478 -8.710 1.00 0.00 O ATOM 367 CB LEU A 22 11.341 2.886 -7.672 1.00 0.00 C ATOM 368 CG LEU A 22 10.682 2.245 -6.451 1.00 0.00 C ATOM 369 CD1 LEU A 22 10.843 0.735 -6.498 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.270 2.802 -5.164 1.00 0.00 C ATOM 0 H LEU A 22 9.150 4.025 -7.910 1.00 0.00 H new ATOM 0 HA LEU A 22 11.573 4.852 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.907 2.447 -8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.400 2.627 -7.670 1.00 0.00 H new ATOM 0 HG LEU A 22 9.619 2.485 -6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.369 0.291 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.372 0.347 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.903 0.482 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.785 2.331 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.340 2.596 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.107 3.879 -5.126 1.00 0.00 H new ATOM 382 N LYS A 23 11.563 4.743 -10.135 1.00 0.00 N ATOM 383 CA LYS A 23 12.267 5.200 -11.325 1.00 0.00 C ATOM 384 C LYS A 23 12.334 6.719 -11.362 1.00 0.00 C ATOM 385 O LYS A 23 13.399 7.302 -11.551 1.00 0.00 O ATOM 386 CB LYS A 23 11.563 4.689 -12.587 1.00 0.00 C ATOM 387 CG LYS A 23 11.585 3.176 -12.732 1.00 0.00 C ATOM 388 CD LYS A 23 10.740 2.718 -13.911 1.00 0.00 C ATOM 389 CE LYS A 23 9.260 2.985 -13.676 1.00 0.00 C ATOM 390 NZ LYS A 23 8.415 2.507 -14.804 1.00 0.00 N ATOM 0 H LYS A 23 10.671 4.285 -10.322 1.00 0.00 H new ATOM 0 HA LYS A 23 13.282 4.803 -11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.527 5.029 -12.577 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.036 5.135 -13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.612 2.837 -12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.214 2.716 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.065 3.234 -14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.896 1.652 -14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.946 2.493 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.104 4.055 -13.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.580 2.015 -14.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.110 3.319 -15.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.965 1.852 -15.396 1.00 0.00 H new ATOM 404 N LYS A 24 11.194 7.354 -11.133 1.00 0.00 N ATOM 405 CA LYS A 24 11.079 8.799 -11.275 1.00 0.00 C ATOM 406 C LYS A 24 11.844 9.550 -10.191 1.00 0.00 C ATOM 407 O LYS A 24 12.450 10.585 -10.463 1.00 0.00 O ATOM 408 CB LYS A 24 9.605 9.211 -11.273 1.00 0.00 C ATOM 409 CG LYS A 24 8.825 8.759 -12.506 1.00 0.00 C ATOM 410 CD LYS A 24 9.357 9.385 -13.795 1.00 0.00 C ATOM 411 CE LYS A 24 10.571 8.639 -14.342 1.00 0.00 C ATOM 412 NZ LYS A 24 11.254 9.394 -15.426 1.00 0.00 N ATOM 0 H LYS A 24 10.332 6.890 -10.847 1.00 0.00 H new ATOM 0 HA LYS A 24 11.530 9.070 -12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.126 8.801 -10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.543 10.297 -11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.874 7.673 -12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.774 9.022 -12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.568 9.391 -14.547 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.626 10.425 -13.608 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.276 8.453 -13.532 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.257 7.667 -14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.974 8.789 -15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.556 9.682 -16.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.710 10.239 -15.026 1.00 0.00 H new ATOM 426 N ALA A 25 11.824 9.031 -8.972 1.00 0.00 N ATOM 427 CA ALA A 25 12.523 9.666 -7.862 1.00 0.00 C ATOM 428 C ALA A 25 14.033 9.515 -8.008 1.00 0.00 C ATOM 429 O ALA A 25 14.790 10.412 -7.653 1.00 0.00 O ATOM 430 CB ALA A 25 12.050 9.088 -6.537 1.00 0.00 C ATOM 0 H ALA A 25 11.332 8.172 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 25 12.290 10.731 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.582 9.573 -5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.979 9.260 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.250 8.017 -6.515 1.00 0.00 H new ATOM 436 N LYS A 26 14.460 8.375 -8.540 1.00 0.00 N ATOM 437 CA LYS A 26 15.879 8.126 -8.773 1.00 0.00 C ATOM 438 C LYS A 26 16.384 8.979 -9.937 1.00 0.00 C ATOM 439 O LYS A 26 17.513 9.468 -9.922 1.00 0.00 O ATOM 440 CB LYS A 26 16.099 6.627 -9.035 1.00 0.00 C ATOM 441 CG LYS A 26 17.553 6.207 -9.247 1.00 0.00 C ATOM 442 CD LYS A 26 17.973 6.321 -10.707 1.00 0.00 C ATOM 443 CE LYS A 26 17.032 5.544 -11.617 1.00 0.00 C ATOM 444 NZ LYS A 26 17.432 5.633 -13.046 1.00 0.00 N ATOM 0 H LYS A 26 13.846 7.610 -8.818 1.00 0.00 H new ATOM 0 HA LYS A 26 16.450 8.408 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.695 6.065 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.523 6.341 -9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.203 6.830 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.686 5.179 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.985 7.370 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.989 5.945 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.015 4.498 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.018 5.927 -11.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.763 5.089 -13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.424 6.628 -13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.389 5.244 -13.163 1.00 0.00 H new ATOM 458 N GLU A 27 15.538 9.144 -10.949 1.00 0.00 N ATOM 459 CA GLU A 27 15.864 9.984 -12.095 1.00 0.00 C ATOM 460 C GLU A 27 15.841 11.462 -11.715 1.00 0.00 C ATOM 461 O GLU A 27 16.756 12.212 -12.050 1.00 0.00 O ATOM 462 CB GLU A 27 14.889 9.710 -13.236 1.00 0.00 C ATOM 463 CG GLU A 27 15.119 8.364 -13.897 1.00 0.00 C ATOM 464 CD GLU A 27 14.063 8.027 -14.927 1.00 0.00 C ATOM 465 OE1 GLU A 27 13.960 8.750 -15.939 1.00 0.00 O ATOM 466 OE2 GLU A 27 13.323 7.043 -14.729 1.00 0.00 O ATOM 0 H GLU A 27 14.619 8.705 -10.998 1.00 0.00 H new ATOM 0 HA GLU A 27 16.874 9.739 -12.425 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.869 9.752 -12.854 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.982 10.497 -13.984 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.099 8.362 -14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.135 7.587 -13.133 1.00 0.00 H new ATOM 473 N GLY A 28 14.798 11.872 -11.009 1.00 0.00 N ATOM 474 CA GLY A 28 14.712 13.246 -10.559 1.00 0.00 C ATOM 475 C GLY A 28 13.520 13.987 -11.129 1.00 0.00 C ATOM 476 O GLY A 28 13.570 15.204 -11.303 1.00 0.00 O ATOM 0 H GLY A 28 14.012 11.280 -10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.655 13.262 -9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.626 13.771 -10.838 1.00 0.00 H new ATOM 480 N ASP A 29 12.445 13.265 -11.425 1.00 0.00 N ATOM 481 CA ASP A 29 11.210 13.885 -11.875 1.00 0.00 C ATOM 482 C ASP A 29 10.418 14.401 -10.679 1.00 0.00 C ATOM 483 O ASP A 29 9.356 13.879 -10.345 1.00 0.00 O ATOM 484 CB ASP A 29 10.370 12.892 -12.676 1.00 0.00 C ATOM 485 CG ASP A 29 10.834 12.743 -14.111 1.00 0.00 C ATOM 486 OD1 ASP A 29 10.410 13.547 -14.969 1.00 0.00 O ATOM 487 OD2 ASP A 29 11.613 11.814 -14.396 1.00 0.00 O ATOM 0 H ASP A 29 12.407 12.248 -11.360 1.00 0.00 H new ATOM 0 HA ASP A 29 11.460 14.725 -12.523 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.404 11.919 -12.187 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.329 13.216 -12.669 1.00 0.00 H new ATOM 492 N GLU A 30 10.956 15.431 -10.042 1.00 0.00 N ATOM 493 CA GLU A 30 10.399 15.976 -8.807 1.00 0.00 C ATOM 494 C GLU A 30 8.995 16.539 -9.022 1.00 0.00 C ATOM 495 O GLU A 30 8.138 16.432 -8.147 1.00 0.00 O ATOM 496 CB GLU A 30 11.327 17.069 -8.271 1.00 0.00 C ATOM 497 CG GLU A 30 12.762 16.599 -8.072 1.00 0.00 C ATOM 498 CD GLU A 30 13.728 17.741 -7.824 1.00 0.00 C ATOM 499 OE1 GLU A 30 14.115 18.415 -8.802 1.00 0.00 O ATOM 500 OE2 GLU A 30 14.110 17.959 -6.656 1.00 0.00 O ATOM 0 H GLU A 30 11.793 15.915 -10.366 1.00 0.00 H new ATOM 0 HA GLU A 30 10.321 15.167 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.321 17.912 -8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.937 17.433 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.799 15.909 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.083 16.044 -8.953 1.00 0.00 H new ATOM 507 N GLN A 31 8.762 17.131 -10.189 1.00 0.00 N ATOM 508 CA GLN A 31 7.453 17.695 -10.510 1.00 0.00 C ATOM 509 C GLN A 31 6.409 16.588 -10.649 1.00 0.00 C ATOM 510 O GLN A 31 5.257 16.743 -10.238 1.00 0.00 O ATOM 511 CB GLN A 31 7.533 18.519 -11.798 1.00 0.00 C ATOM 512 CG GLN A 31 6.224 19.202 -12.173 1.00 0.00 C ATOM 513 CD GLN A 31 5.731 20.165 -11.107 1.00 0.00 C ATOM 514 OE1 GLN A 31 6.520 20.759 -10.372 1.00 0.00 O ATOM 515 NE2 GLN A 31 4.420 20.324 -11.016 1.00 0.00 N ATOM 0 H GLN A 31 9.459 17.233 -10.927 1.00 0.00 H new ATOM 0 HA GLN A 31 7.150 18.351 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.308 19.277 -11.686 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.840 17.868 -12.616 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.358 19.743 -13.110 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.462 18.443 -12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.800 19.813 -11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.030 20.957 -10.318 1.00 0.00 H new ATOM 524 N GLU A 32 6.818 15.470 -11.231 1.00 0.00 N ATOM 525 CA GLU A 32 5.940 14.317 -11.377 1.00 0.00 C ATOM 526 C GLU A 32 5.711 13.658 -10.020 1.00 0.00 C ATOM 527 O GLU A 32 4.618 13.170 -9.728 1.00 0.00 O ATOM 528 CB GLU A 32 6.525 13.308 -12.364 1.00 0.00 C ATOM 529 CG GLU A 32 5.498 12.318 -12.887 1.00 0.00 C ATOM 530 CD GLU A 32 4.404 12.998 -13.687 1.00 0.00 C ATOM 531 OE1 GLU A 32 3.393 13.421 -13.091 1.00 0.00 O ATOM 532 OE2 GLU A 32 4.562 13.128 -14.919 1.00 0.00 O ATOM 0 H GLU A 32 7.755 15.336 -11.611 1.00 0.00 H new ATOM 0 HA GLU A 32 4.983 14.661 -11.770 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.964 13.845 -13.205 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.333 12.761 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.996 11.577 -13.512 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.053 11.781 -12.049 1.00 0.00 H new ATOM 539 N LEU A 33 6.759 13.655 -9.197 1.00 0.00 N ATOM 540 CA LEU A 33 6.718 13.039 -7.873 1.00 0.00 C ATOM 541 C LEU A 33 5.584 13.601 -7.022 1.00 0.00 C ATOM 542 O LEU A 33 4.966 12.870 -6.246 1.00 0.00 O ATOM 543 CB LEU A 33 8.056 13.248 -7.155 1.00 0.00 C ATOM 544 CG LEU A 33 9.208 12.378 -7.652 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.482 12.707 -6.891 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.859 10.906 -7.499 1.00 0.00 C ATOM 0 H LEU A 33 7.657 14.078 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 33 6.537 11.973 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.344 14.295 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.912 13.058 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 33 9.374 12.585 -8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.296 12.080 -7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.736 13.756 -7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.329 12.522 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.689 10.296 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.672 10.684 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.966 10.681 -8.082 1.00 0.00 H new ATOM 558 N ALA A 34 5.307 14.890 -7.179 1.00 0.00 N ATOM 559 CA ALA A 34 4.225 15.536 -6.441 1.00 0.00 C ATOM 560 C ALA A 34 2.884 14.872 -6.749 1.00 0.00 C ATOM 561 O ALA A 34 2.073 14.637 -5.851 1.00 0.00 O ATOM 562 CB ALA A 34 4.170 17.022 -6.766 1.00 0.00 C ATOM 0 H ALA A 34 5.816 15.509 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 34 4.425 15.421 -5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.358 17.487 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.115 17.490 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.998 17.155 -7.834 1.00 0.00 H new ATOM 568 N ARG A 35 2.658 14.579 -8.024 1.00 0.00 N ATOM 569 CA ARG A 35 1.460 13.909 -8.465 1.00 0.00 C ATOM 570 C ARG A 35 1.438 12.459 -7.997 1.00 0.00 C ATOM 571 O ARG A 35 0.453 11.994 -7.422 1.00 0.00 O ATOM 572 CB ARG A 35 1.398 13.964 -9.987 1.00 0.00 C ATOM 573 CG ARG A 35 0.227 13.206 -10.554 1.00 0.00 C ATOM 574 CD ARG A 35 0.197 13.247 -12.072 1.00 0.00 C ATOM 575 NE ARG A 35 -0.250 14.537 -12.586 1.00 0.00 N ATOM 576 CZ ARG A 35 0.142 15.044 -13.753 1.00 0.00 C ATOM 577 NH1 ARG A 35 1.092 14.439 -14.454 1.00 0.00 N ATOM 578 NH2 ARG A 35 -0.389 16.176 -14.195 1.00 0.00 N ATOM 0 H ARG A 35 3.308 14.804 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 35 0.594 14.412 -8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.339 15.005 -10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.322 13.556 -10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.272 12.169 -10.221 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.699 13.626 -10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.193 13.031 -12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.465 12.463 -12.441 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.900 15.082 -12.019 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.522 13.585 -14.099 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.392 14.828 -15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.097 16.658 -13.641 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.089 16.565 -15.089 1.00 0.00 H new ATOM 592 N LEU A 36 2.543 11.759 -8.229 1.00 0.00 N ATOM 593 CA LEU A 36 2.638 10.340 -7.917 1.00 0.00 C ATOM 594 C LEU A 36 2.402 10.083 -6.432 1.00 0.00 C ATOM 595 O LEU A 36 1.663 9.171 -6.063 1.00 0.00 O ATOM 596 CB LEU A 36 4.010 9.796 -8.325 1.00 0.00 C ATOM 597 CG LEU A 36 4.327 9.869 -9.821 1.00 0.00 C ATOM 598 CD1 LEU A 36 5.732 9.351 -10.092 1.00 0.00 C ATOM 599 CD2 LEU A 36 3.300 9.078 -10.620 1.00 0.00 C ATOM 0 H LEU A 36 3.390 12.156 -8.635 1.00 0.00 H new ATOM 0 HA LEU A 36 1.863 9.823 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.777 10.347 -7.781 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.079 8.756 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 36 4.279 10.911 -10.136 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.942 9.410 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.455 9.957 -9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.807 8.314 -9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.539 9.140 -11.682 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.318 8.035 -10.304 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.307 9.492 -10.447 1.00 0.00 H new ATOM 611 N ASN A 37 3.021 10.904 -5.591 1.00 0.00 N ATOM 612 CA ASN A 37 2.906 10.755 -4.144 1.00 0.00 C ATOM 613 C ASN A 37 1.448 10.853 -3.701 1.00 0.00 C ATOM 614 O ASN A 37 0.970 10.037 -2.914 1.00 0.00 O ATOM 615 CB ASN A 37 3.728 11.828 -3.428 1.00 0.00 C ATOM 616 CG ASN A 37 3.775 11.606 -1.932 1.00 0.00 C ATOM 617 OD1 ASN A 37 3.866 10.473 -1.467 1.00 0.00 O ATOM 618 ND2 ASN A 37 3.690 12.678 -1.171 1.00 0.00 N ATOM 0 H ASN A 37 3.610 11.682 -5.887 1.00 0.00 H new ATOM 0 HA ASN A 37 3.290 9.770 -3.879 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.743 11.832 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.301 12.809 -3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.698 12.584 -0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.616 13.602 -1.597 1.00 0.00 H new ATOM 625 N GLN A 38 0.745 11.858 -4.224 1.00 0.00 N ATOM 626 CA GLN A 38 -0.641 12.096 -3.895 1.00 0.00 C ATOM 627 C GLN A 38 -1.510 10.890 -4.239 1.00 0.00 C ATOM 628 O GLN A 38 -2.369 10.481 -3.453 1.00 0.00 O ATOM 629 CB GLN A 38 -1.127 13.307 -4.679 1.00 0.00 C ATOM 630 CG GLN A 38 -2.500 13.760 -4.267 1.00 0.00 C ATOM 631 CD GLN A 38 -3.180 14.591 -5.332 1.00 0.00 C ATOM 632 OE1 GLN A 38 -2.962 14.390 -6.525 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.015 15.524 -4.915 1.00 0.00 N ATOM 0 H GLN A 38 1.132 12.527 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.719 12.273 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.423 14.128 -4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.133 13.066 -5.742 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.115 12.888 -4.044 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.427 14.342 -3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.170 15.661 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.506 16.109 -5.592 1.00 0.00 H new ATOM 642 N GLU A 39 -1.282 10.326 -5.419 1.00 0.00 N ATOM 643 CA GLU A 39 -2.090 9.217 -5.904 1.00 0.00 C ATOM 644 C GLU A 39 -1.870 7.957 -5.071 1.00 0.00 C ATOM 645 O GLU A 39 -2.788 7.153 -4.910 1.00 0.00 O ATOM 646 CB GLU A 39 -1.817 8.953 -7.386 1.00 0.00 C ATOM 647 CG GLU A 39 -2.186 10.134 -8.270 1.00 0.00 C ATOM 648 CD GLU A 39 -2.286 9.776 -9.736 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.309 9.176 -10.133 1.00 0.00 O ATOM 650 OE2 GLU A 39 -1.367 10.114 -10.507 1.00 0.00 O ATOM 0 H GLU A 39 -0.543 10.620 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.138 9.499 -5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.761 8.720 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.380 8.076 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.140 10.544 -7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.441 10.919 -8.145 1.00 0.00 H new ATOM 657 N ILE A 40 -0.661 7.793 -4.540 1.00 0.00 N ATOM 658 CA ILE A 40 -0.366 6.679 -3.641 1.00 0.00 C ATOM 659 C ILE A 40 -1.294 6.721 -2.431 1.00 0.00 C ATOM 660 O ILE A 40 -1.938 5.726 -2.090 1.00 0.00 O ATOM 661 CB ILE A 40 1.097 6.715 -3.135 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.083 6.656 -4.302 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.356 5.567 -2.168 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.531 6.791 -3.878 1.00 0.00 C ATOM 0 H ILE A 40 0.128 8.415 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.518 5.762 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 40 1.247 7.658 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.954 5.711 -4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.844 7.450 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.389 5.608 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.684 5.652 -1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.180 4.618 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.174 6.740 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.676 7.748 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.787 5.982 -3.194 1.00 0.00 H new ATOM 676 N VAL A 41 -1.375 7.894 -1.809 1.00 0.00 N ATOM 677 CA VAL A 41 -2.207 8.090 -0.630 1.00 0.00 C ATOM 678 C VAL A 41 -3.667 7.755 -0.930 1.00 0.00 C ATOM 679 O VAL A 41 -4.330 7.059 -0.159 1.00 0.00 O ATOM 680 CB VAL A 41 -2.112 9.545 -0.119 1.00 0.00 C ATOM 681 CG1 VAL A 41 -2.950 9.741 1.132 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.664 9.926 0.144 1.00 0.00 C ATOM 0 H VAL A 41 -0.869 8.728 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.837 7.417 0.143 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.507 10.200 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.864 10.774 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.993 9.517 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.595 9.073 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.618 10.954 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.243 9.259 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.091 9.838 -0.779 1.00 0.00 H new ATOM 692 N LYS A 42 -4.157 8.247 -2.062 1.00 0.00 N ATOM 693 CA LYS A 42 -5.540 8.020 -2.456 1.00 0.00 C ATOM 694 C LYS A 42 -5.818 6.537 -2.691 1.00 0.00 C ATOM 695 O LYS A 42 -6.828 6.010 -2.224 1.00 0.00 O ATOM 696 CB LYS A 42 -5.887 8.819 -3.717 1.00 0.00 C ATOM 697 CG LYS A 42 -5.779 10.328 -3.542 1.00 0.00 C ATOM 698 CD LYS A 42 -6.368 11.073 -4.730 1.00 0.00 C ATOM 699 CE LYS A 42 -5.626 10.758 -6.018 1.00 0.00 C ATOM 700 NZ LYS A 42 -6.274 11.393 -7.193 1.00 0.00 N ATOM 0 H LYS A 42 -3.616 8.806 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.170 8.362 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.225 8.509 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.903 8.571 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.297 10.627 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.732 10.607 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.419 10.806 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.330 12.146 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.596 11.105 -5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.589 9.678 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.740 11.156 -8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.249 11.043 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.287 12.425 -7.067 1.00 0.00 H new ATOM 714 N ALA A 43 -4.910 5.868 -3.395 1.00 0.00 N ATOM 715 CA ALA A 43 -5.110 4.475 -3.767 1.00 0.00 C ATOM 716 C ALA A 43 -5.039 3.546 -2.561 1.00 0.00 C ATOM 717 O ALA A 43 -5.906 2.686 -2.383 1.00 0.00 O ATOM 718 CB ALA A 43 -4.091 4.061 -4.815 1.00 0.00 C ATOM 0 H ALA A 43 -4.030 6.269 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.112 4.387 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.251 3.017 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.205 4.687 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.085 4.182 -4.412 1.00 0.00 H new ATOM 724 N GLU A 44 -4.021 3.726 -1.727 1.00 0.00 N ATOM 725 CA GLU A 44 -3.834 2.863 -0.567 1.00 0.00 C ATOM 726 C GLU A 44 -4.979 3.023 0.424 1.00 0.00 C ATOM 727 O GLU A 44 -5.520 2.036 0.924 1.00 0.00 O ATOM 728 CB GLU A 44 -2.509 3.155 0.137 1.00 0.00 C ATOM 729 CG GLU A 44 -1.281 2.853 -0.703 1.00 0.00 C ATOM 730 CD GLU A 44 -0.009 2.885 0.117 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.384 3.967 0.575 1.00 0.00 O ATOM 732 OE2 GLU A 44 0.592 1.807 0.338 1.00 0.00 O ATOM 0 H GLU A 44 -3.317 4.457 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.819 1.836 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.488 4.205 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.461 2.569 1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.390 1.871 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.208 3.579 -1.513 1.00 0.00 H new ATOM 739 N LYS A 45 -5.359 4.264 0.692 1.00 0.00 N ATOM 740 CA LYS A 45 -6.379 4.545 1.672 1.00 0.00 C ATOM 741 C LYS A 45 -7.749 4.090 1.179 1.00 0.00 C ATOM 742 O LYS A 45 -8.617 3.726 1.977 1.00 0.00 O ATOM 743 CB LYS A 45 -6.379 6.027 2.019 1.00 0.00 C ATOM 744 CG LYS A 45 -6.921 6.290 3.401 1.00 0.00 C ATOM 745 CD LYS A 45 -6.692 7.724 3.841 1.00 0.00 C ATOM 746 CE LYS A 45 -6.888 7.875 5.339 1.00 0.00 C ATOM 747 NZ LYS A 45 -6.687 9.278 5.781 1.00 0.00 N ATOM 0 H LYS A 45 -4.970 5.090 0.238 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.156 3.983 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.362 6.414 1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.977 6.569 1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.989 6.072 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.446 5.613 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.683 8.034 3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.380 8.384 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.892 7.549 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.189 7.224 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.829 9.342 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.720 9.581 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.371 9.895 5.298 1.00 0.00 H new ATOM 761 N GLN A 46 -7.947 4.123 -0.136 1.00 0.00 N ATOM 762 CA GLN A 46 -9.159 3.583 -0.732 1.00 0.00 C ATOM 763 C GLN A 46 -9.260 2.093 -0.413 1.00 0.00 C ATOM 764 O GLN A 46 -10.315 1.594 -0.014 1.00 0.00 O ATOM 765 CB GLN A 46 -9.142 3.785 -2.249 1.00 0.00 C ATOM 766 CG GLN A 46 -10.492 3.570 -2.912 1.00 0.00 C ATOM 767 CD GLN A 46 -11.478 4.678 -2.590 1.00 0.00 C ATOM 768 OE1 GLN A 46 -11.089 5.826 -2.369 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.760 4.351 -2.564 1.00 0.00 N ATOM 0 H GLN A 46 -7.285 4.517 -0.804 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.021 4.107 -0.319 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.797 4.796 -2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.418 3.099 -2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.358 3.509 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.905 2.615 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.045 3.390 -2.752 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.463 5.060 -2.356 1.00 0.00 H new ATOM 778 N GLY A 47 -8.140 1.397 -0.580 1.00 0.00 N ATOM 779 CA GLY A 47 -8.089 -0.025 -0.310 1.00 0.00 C ATOM 780 C GLY A 47 -8.207 -0.353 1.163 1.00 0.00 C ATOM 781 O GLY A 47 -8.921 -1.277 1.545 1.00 0.00 O ATOM 0 H GLY A 47 -7.259 1.799 -0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.894 -0.521 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.151 -0.428 -0.692 1.00 0.00 H new ATOM 785 N VAL A 48 -7.509 0.401 1.999 1.00 0.00 N ATOM 786 CA VAL A 48 -7.550 0.170 3.436 1.00 0.00 C ATOM 787 C VAL A 48 -8.982 0.322 3.946 1.00 0.00 C ATOM 788 O VAL A 48 -9.429 -0.423 4.812 1.00 0.00 O ATOM 789 CB VAL A 48 -6.586 1.118 4.199 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.191 2.489 4.450 1.00 0.00 C ATOM 791 CG2 VAL A 48 -6.130 0.484 5.501 1.00 0.00 C ATOM 0 H VAL A 48 -6.910 1.174 1.710 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.212 -0.849 3.626 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.718 1.270 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.474 3.110 4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.437 2.958 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.097 2.383 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.455 1.165 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.997 0.282 6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.610 -0.450 5.288 1.00 0.00 H new ATOM 801 N LYS A 49 -9.695 1.279 3.364 1.00 0.00 N ATOM 802 CA LYS A 49 -11.091 1.540 3.711 1.00 0.00 C ATOM 803 C LYS A 49 -11.973 0.312 3.467 1.00 0.00 C ATOM 804 O LYS A 49 -12.723 -0.098 4.353 1.00 0.00 O ATOM 805 CB LYS A 49 -11.616 2.734 2.901 1.00 0.00 C ATOM 806 CG LYS A 49 -13.069 3.110 3.179 1.00 0.00 C ATOM 807 CD LYS A 49 -13.238 3.849 4.502 1.00 0.00 C ATOM 808 CE LYS A 49 -13.175 2.914 5.700 1.00 0.00 C ATOM 809 NZ LYS A 49 -13.406 3.635 6.979 1.00 0.00 N ATOM 0 H LYS A 49 -9.325 1.895 2.640 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.134 1.773 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.986 3.599 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.511 2.509 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.441 3.735 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.679 2.207 3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.459 4.606 4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.194 4.373 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.922 2.128 5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.201 2.426 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.355 2.963 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.679 4.369 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.346 4.079 6.962 1.00 0.00 H new ATOM 823 N VAL A 50 -11.880 -0.281 2.281 1.00 0.00 N ATOM 824 CA VAL A 50 -12.695 -1.449 1.963 1.00 0.00 C ATOM 825 C VAL A 50 -12.257 -2.673 2.765 1.00 0.00 C ATOM 826 O VAL A 50 -13.085 -3.511 3.124 1.00 0.00 O ATOM 827 CB VAL A 50 -12.704 -1.777 0.454 1.00 0.00 C ATOM 828 CG1 VAL A 50 -13.648 -0.850 -0.290 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.309 -1.691 -0.141 1.00 0.00 C ATOM 0 H VAL A 50 -11.257 0.023 1.533 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.715 -1.190 2.248 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.056 -2.802 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.640 -1.098 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.658 -0.968 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.325 0.182 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.352 -1.928 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.919 -0.682 -0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.654 -2.402 0.363 1.00 0.00 H new ATOM 839 N TYR A 51 -10.966 -2.770 3.060 1.00 0.00 N ATOM 840 CA TYR A 51 -10.472 -3.828 3.933 1.00 0.00 C ATOM 841 C TYR A 51 -11.029 -3.653 5.345 1.00 0.00 C ATOM 842 O TYR A 51 -11.382 -4.625 6.007 1.00 0.00 O ATOM 843 CB TYR A 51 -8.941 -3.843 3.982 1.00 0.00 C ATOM 844 CG TYR A 51 -8.279 -4.622 2.869 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.303 -6.010 2.864 1.00 0.00 C ATOM 846 CD2 TYR A 51 -7.621 -3.973 1.835 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.688 -6.728 1.859 1.00 0.00 C ATOM 848 CE2 TYR A 51 -7.003 -4.685 0.826 1.00 0.00 C ATOM 849 CZ TYR A 51 -7.042 -6.061 0.843 1.00 0.00 C ATOM 850 OH TYR A 51 -6.430 -6.773 -0.157 1.00 0.00 O ATOM 0 H TYR A 51 -10.248 -2.135 2.711 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.811 -4.780 3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.580 -2.815 3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.626 -4.263 4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.811 -6.536 3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.591 -2.894 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.713 -7.808 1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.492 -4.166 0.029 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.515 -6.445 -0.279 1.00 0.00 H new ATOM 860 N LYS A 52 -11.116 -2.404 5.791 1.00 0.00 N ATOM 861 CA LYS A 52 -11.649 -2.095 7.111 1.00 0.00 C ATOM 862 C LYS A 52 -13.135 -2.421 7.199 1.00 0.00 C ATOM 863 O LYS A 52 -13.628 -2.817 8.255 1.00 0.00 O ATOM 864 CB LYS A 52 -11.387 -0.628 7.455 1.00 0.00 C ATOM 865 CG LYS A 52 -9.942 -0.370 7.840 1.00 0.00 C ATOM 866 CD LYS A 52 -9.704 1.064 8.274 1.00 0.00 C ATOM 867 CE LYS A 52 -8.250 1.271 8.672 1.00 0.00 C ATOM 868 NZ LYS A 52 -7.987 2.645 9.170 1.00 0.00 N ATOM 0 H LYS A 52 -10.823 -1.587 5.255 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.136 -2.720 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.648 -0.005 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.037 -0.329 8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.659 -1.043 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.297 -0.602 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.964 1.743 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.354 1.308 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.982 0.550 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.609 1.070 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.160 3.040 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.817 3.245 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.799 2.614 10.192 1.00 0.00 H new ATOM 882 N GLU A 53 -13.844 -2.253 6.089 1.00 0.00 N ATOM 883 CA GLU A 53 -15.246 -2.646 6.022 1.00 0.00 C ATOM 884 C GLU A 53 -15.361 -4.167 6.101 1.00 0.00 C ATOM 885 O GLU A 53 -16.216 -4.705 6.804 1.00 0.00 O ATOM 886 CB GLU A 53 -15.890 -2.134 4.731 1.00 0.00 C ATOM 887 CG GLU A 53 -17.380 -2.433 4.629 1.00 0.00 C ATOM 888 CD GLU A 53 -17.981 -1.948 3.330 1.00 0.00 C ATOM 889 OE1 GLU A 53 -18.263 -0.736 3.216 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.170 -2.771 2.412 1.00 0.00 O ATOM 0 H GLU A 53 -13.474 -1.850 5.228 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.774 -2.202 6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.739 -1.057 4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.379 -2.582 3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.538 -3.508 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.899 -1.962 5.464 1.00 0.00 H new ATOM 897 N ALA A 54 -14.476 -4.849 5.382 1.00 0.00 N ATOM 898 CA ALA A 54 -14.442 -6.306 5.379 1.00 0.00 C ATOM 899 C ALA A 54 -14.063 -6.842 6.754 1.00 0.00 C ATOM 900 O ALA A 54 -14.523 -7.905 7.160 1.00 0.00 O ATOM 901 CB ALA A 54 -13.473 -6.813 4.322 1.00 0.00 C ATOM 0 H ALA A 54 -13.769 -4.412 4.791 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.440 -6.670 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.460 -7.903 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.791 -6.464 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.473 -6.436 4.535 1.00 0.00 H new ATOM 907 N ALA A 55 -13.223 -6.097 7.463 1.00 0.00 N ATOM 908 CA ALA A 55 -12.808 -6.469 8.812 1.00 0.00 C ATOM 909 C ALA A 55 -14.001 -6.511 9.765 1.00 0.00 C ATOM 910 O ALA A 55 -14.036 -7.315 10.696 1.00 0.00 O ATOM 911 CB ALA A 55 -11.749 -5.504 9.326 1.00 0.00 C ATOM 0 H ALA A 55 -12.813 -5.226 7.124 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.379 -7.470 8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.450 -5.795 10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.881 -5.532 8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.157 -4.493 9.346 1.00 0.00 H new ATOM 917 N GLU A 56 -14.979 -5.646 9.529 1.00 0.00 N ATOM 918 CA GLU A 56 -16.184 -5.610 10.351 1.00 0.00 C ATOM 919 C GLU A 56 -17.104 -6.776 9.997 1.00 0.00 C ATOM 920 O GLU A 56 -18.019 -7.115 10.749 1.00 0.00 O ATOM 921 CB GLU A 56 -16.927 -4.284 10.158 1.00 0.00 C ATOM 922 CG GLU A 56 -16.080 -3.047 10.431 1.00 0.00 C ATOM 923 CD GLU A 56 -15.526 -2.994 11.843 1.00 0.00 C ATOM 924 OE1 GLU A 56 -15.964 -3.788 12.699 1.00 0.00 O ATOM 925 OE2 GLU A 56 -14.636 -2.158 12.108 1.00 0.00 O ATOM 0 H GLU A 56 -14.962 -4.959 8.775 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.887 -5.697 11.396 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.301 -4.236 9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.796 -4.268 10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.252 -3.019 9.723 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.683 -2.157 10.252 1.00 0.00 H new ATOM 932 N LYS A 57 -16.842 -7.387 8.851 1.00 0.00 N ATOM 933 CA LYS A 57 -17.646 -8.493 8.350 1.00 0.00 C ATOM 934 C LYS A 57 -16.810 -9.777 8.364 1.00 0.00 C ATOM 935 O LYS A 57 -17.140 -10.771 7.717 1.00 0.00 O ATOM 936 CB LYS A 57 -18.116 -8.163 6.926 1.00 0.00 C ATOM 937 CG LYS A 57 -19.100 -9.155 6.329 1.00 0.00 C ATOM 938 CD LYS A 57 -19.339 -8.858 4.860 1.00 0.00 C ATOM 939 CE LYS A 57 -20.186 -9.929 4.197 1.00 0.00 C ATOM 940 NZ LYS A 57 -19.607 -11.290 4.362 1.00 0.00 N ATOM 0 H LYS A 57 -16.066 -7.130 8.241 1.00 0.00 H new ATOM 0 HA LYS A 57 -18.520 -8.644 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.577 -7.175 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.243 -8.104 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.715 -10.169 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -20.044 -9.110 6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -19.833 -7.891 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.382 -8.781 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -21.190 -9.910 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -20.285 -9.705 3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.014 -11.929 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.575 -11.246 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.826 -11.647 5.314 1.00 0.00 H new ATOM 954 N ALA A 58 -15.724 -9.749 9.126 1.00 0.00 N ATOM 955 CA ALA A 58 -14.776 -10.855 9.148 1.00 0.00 C ATOM 956 C ALA A 58 -15.325 -12.054 9.912 1.00 0.00 C ATOM 957 O ALA A 58 -14.926 -13.193 9.647 1.00 0.00 O ATOM 958 CB ALA A 58 -13.455 -10.404 9.755 1.00 0.00 C ATOM 0 H ALA A 58 -15.478 -8.971 9.738 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.609 -11.168 8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.755 -11.240 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.040 -9.591 9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.623 -10.058 10.775 1.00 0.00 H new ATOM 964 N ARG A 59 -16.229 -11.785 10.862 1.00 0.00 N ATOM 965 CA ARG A 59 -16.832 -12.821 11.711 1.00 0.00 C ATOM 966 C ARG A 59 -15.817 -13.385 12.698 1.00 0.00 C ATOM 967 O ARG A 59 -15.986 -13.271 13.913 1.00 0.00 O ATOM 968 CB ARG A 59 -17.434 -13.957 10.872 1.00 0.00 C ATOM 969 CG ARG A 59 -18.812 -13.652 10.308 1.00 0.00 C ATOM 970 CD ARG A 59 -19.831 -13.488 11.421 1.00 0.00 C ATOM 971 NE ARG A 59 -21.203 -13.573 10.931 1.00 0.00 N ATOM 972 CZ ARG A 59 -22.269 -13.655 11.723 1.00 0.00 C ATOM 973 NH1 ARG A 59 -22.126 -13.609 13.042 1.00 0.00 N ATOM 974 NH2 ARG A 59 -23.478 -13.778 11.191 1.00 0.00 N ATOM 0 H ARG A 59 -16.563 -10.843 11.064 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.637 -12.345 12.272 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.758 -14.182 10.047 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.496 -14.855 11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.771 -12.741 9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.122 -14.457 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -19.669 -14.257 12.176 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.681 -12.525 11.910 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.354 -13.569 9.922 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -21.197 -13.511 13.451 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -22.945 -13.672 13.646 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -23.588 -13.809 10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.297 -13.841 11.795 1.00 0.00 H new ATOM 988 N ASN A 60 -14.771 -13.993 12.170 1.00 0.00 N ATOM 989 CA ASN A 60 -13.730 -14.594 12.988 1.00 0.00 C ATOM 990 C ASN A 60 -12.621 -13.585 13.260 1.00 0.00 C ATOM 991 O ASN A 60 -12.045 -13.018 12.330 1.00 0.00 O ATOM 992 CB ASN A 60 -13.162 -15.831 12.289 1.00 0.00 C ATOM 993 CG ASN A 60 -12.022 -16.471 13.053 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.854 -16.170 12.813 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.355 -17.346 13.987 1.00 0.00 N ATOM 0 H ASN A 60 -14.618 -14.085 11.166 1.00 0.00 H new ATOM 0 HA ASN A 60 -14.164 -14.897 13.941 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -13.958 -16.563 12.154 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.814 -15.552 11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.630 -17.801 14.542 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.337 -17.566 14.153 1.00 0.00 H new ATOM 1002 N PRO A 61 -12.301 -13.360 14.544 1.00 0.00 N ATOM 1003 CA PRO A 61 -11.319 -12.350 14.967 1.00 0.00 C ATOM 1004 C PRO A 61 -9.929 -12.591 14.392 1.00 0.00 C ATOM 1005 O PRO A 61 -9.209 -11.645 14.088 1.00 0.00 O ATOM 1006 CB PRO A 61 -11.294 -12.486 16.496 1.00 0.00 C ATOM 1007 CG PRO A 61 -11.869 -13.830 16.778 1.00 0.00 C ATOM 1008 CD PRO A 61 -12.877 -14.075 15.693 1.00 0.00 C ATOM 0 HA PRO A 61 -11.597 -11.357 14.615 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.278 -12.404 16.882 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.880 -11.699 16.971 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.094 -14.597 16.773 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.338 -13.857 17.762 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.999 -15.138 15.487 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.860 -13.687 15.959 1.00 0.00 H new ATOM 1016 N GLU A 62 -9.568 -13.856 14.213 1.00 0.00 N ATOM 1017 CA GLU A 62 -8.241 -14.210 13.720 1.00 0.00 C ATOM 1018 C GLU A 62 -8.057 -13.776 12.272 1.00 0.00 C ATOM 1019 O GLU A 62 -6.944 -13.463 11.850 1.00 0.00 O ATOM 1020 CB GLU A 62 -7.998 -15.711 13.839 1.00 0.00 C ATOM 1021 CG GLU A 62 -8.040 -16.232 15.263 1.00 0.00 C ATOM 1022 CD GLU A 62 -7.728 -17.708 15.336 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -6.538 -18.073 15.250 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -8.669 -18.515 15.452 1.00 0.00 O ATOM 0 H GLU A 62 -10.175 -14.654 14.402 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.514 -13.683 14.338 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.747 -16.238 13.248 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.026 -15.947 13.405 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.324 -15.680 15.872 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.027 -16.049 15.687 1.00 0.00 H new ATOM 1031 N LYS A 63 -9.147 -13.759 11.513 1.00 0.00 N ATOM 1032 CA LYS A 63 -9.094 -13.290 10.136 1.00 0.00 C ATOM 1033 C LYS A 63 -8.990 -11.773 10.118 1.00 0.00 C ATOM 1034 O LYS A 63 -8.324 -11.195 9.260 1.00 0.00 O ATOM 1035 CB LYS A 63 -10.314 -13.760 9.332 1.00 0.00 C ATOM 1036 CG LYS A 63 -10.451 -15.274 9.275 1.00 0.00 C ATOM 1037 CD LYS A 63 -11.302 -15.722 8.095 1.00 0.00 C ATOM 1038 CE LYS A 63 -12.713 -15.161 8.153 1.00 0.00 C ATOM 1039 NZ LYS A 63 -13.533 -15.636 7.007 1.00 0.00 N ATOM 0 H LYS A 63 -10.070 -14.062 11.825 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.211 -13.717 9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.216 -13.337 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.243 -13.370 8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.462 -15.726 9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.898 -15.633 10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.826 -15.406 7.167 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.347 -16.811 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.186 -15.458 9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.674 -14.072 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.490 -15.236 7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.093 -15.331 6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.590 -16.674 7.028 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.636 -11.134 11.089 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.528 -9.694 11.243 1.00 0.00 C ATOM 1055 C ARG A 64 -8.122 -9.326 11.702 1.00 0.00 C ATOM 1056 O ARG A 64 -7.592 -8.301 11.307 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.568 -9.160 12.233 1.00 0.00 C ATOM 1058 CG ARG A 64 -10.519 -7.648 12.388 1.00 0.00 C ATOM 1059 CD ARG A 64 -11.622 -7.127 13.293 1.00 0.00 C ATOM 1060 NE ARG A 64 -11.581 -5.669 13.398 1.00 0.00 N ATOM 1061 CZ ARG A 64 -12.642 -4.878 13.237 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -13.843 -5.407 13.042 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -12.505 -3.558 13.271 1.00 0.00 N ATOM 0 H ARG A 64 -10.236 -11.591 11.776 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.723 -9.232 10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.563 -9.453 11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.408 -9.625 13.206 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.550 -7.358 12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.606 -7.181 11.407 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.591 -7.438 12.904 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.520 -7.568 14.285 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.685 -5.230 13.608 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.956 -6.420 13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.654 -4.800 12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.585 -3.144 13.421 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.320 -2.957 13.147 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.522 -10.186 12.523 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.155 -9.993 12.994 1.00 0.00 C ATOM 1079 C GLN A 65 -5.189 -9.841 11.824 1.00 0.00 C ATOM 1080 O GLN A 65 -4.320 -8.967 11.830 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.739 -11.182 13.859 1.00 0.00 C ATOM 1082 CG GLN A 65 -6.356 -11.185 15.249 1.00 0.00 C ATOM 1083 CD GLN A 65 -6.184 -12.515 15.966 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -5.123 -13.240 15.638 1.00 0.00 O flip ATOM 1085 NE2 GLN A 65 -7.004 -12.892 16.805 1.00 0.00 N flip ATOM 0 H GLN A 65 -7.968 -11.032 12.878 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.120 -9.078 13.585 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.017 -12.104 13.348 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.653 -11.185 13.955 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.901 -10.394 15.845 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.418 -10.954 15.171 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.808 -12.307 17.031 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.879 -13.789 17.273 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.354 -10.694 10.821 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.533 -10.645 9.619 1.00 0.00 C ATOM 1096 C VAL A 66 -4.699 -9.308 8.905 1.00 0.00 C ATOM 1097 O VAL A 66 -3.723 -8.614 8.614 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.902 -11.791 8.649 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -4.101 -11.690 7.359 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -4.681 -13.144 9.310 1.00 0.00 C ATOM 0 H VAL A 66 -6.056 -11.434 10.818 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.494 -10.761 9.927 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.959 -11.696 8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.379 -12.507 6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.313 -10.738 6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.037 -11.752 7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.946 -13.938 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.633 -13.244 9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.305 -13.220 10.200 1.00 0.00 H new ATOM 1110 N ILE A 67 -5.948 -8.944 8.652 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.261 -7.713 7.940 1.00 0.00 C ATOM 1112 C ILE A 67 -5.856 -6.488 8.758 1.00 0.00 C ATOM 1113 O ILE A 67 -5.250 -5.563 8.233 1.00 0.00 O ATOM 1114 CB ILE A 67 -7.766 -7.635 7.601 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.206 -8.896 6.851 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -8.065 -6.391 6.772 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -9.690 -8.940 6.551 1.00 0.00 C ATOM 0 H ILE A 67 -6.765 -9.487 8.931 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.691 -7.721 7.011 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.328 -7.569 8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.653 -8.962 5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.938 -9.772 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.130 -6.354 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.784 -5.502 7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.495 -6.427 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.926 -9.861 6.019 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.251 -8.906 7.485 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.962 -8.084 5.933 1.00 0.00 H new ATOM 1129 N ASP A 68 -6.170 -6.508 10.049 1.00 0.00 N ATOM 1130 CA ASP A 68 -5.917 -5.377 10.948 1.00 0.00 C ATOM 1131 C ASP A 68 -4.436 -5.028 11.013 1.00 0.00 C ATOM 1132 O ASP A 68 -4.075 -3.856 11.107 1.00 0.00 O ATOM 1133 CB ASP A 68 -6.442 -5.681 12.354 1.00 0.00 C ATOM 1134 CG ASP A 68 -6.326 -4.499 13.298 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -7.103 -3.532 13.143 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -5.475 -4.542 14.212 1.00 0.00 O ATOM 0 H ASP A 68 -6.608 -7.308 10.506 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.449 -4.516 10.543 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.487 -5.985 12.288 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.890 -6.525 12.768 1.00 0.00 H new ATOM 1141 N LYS A 69 -3.576 -6.041 10.974 1.00 0.00 N ATOM 1142 CA LYS A 69 -2.138 -5.801 10.978 1.00 0.00 C ATOM 1143 C LYS A 69 -1.767 -4.946 9.771 1.00 0.00 C ATOM 1144 O LYS A 69 -1.023 -3.973 9.886 1.00 0.00 O ATOM 1145 CB LYS A 69 -1.373 -7.133 10.949 1.00 0.00 C ATOM 1146 CG LYS A 69 0.053 -7.051 11.490 1.00 0.00 C ATOM 1147 CD LYS A 69 1.003 -6.328 10.544 1.00 0.00 C ATOM 1148 CE LYS A 69 2.340 -6.050 11.214 1.00 0.00 C ATOM 1149 NZ LYS A 69 3.297 -5.370 10.302 1.00 0.00 N ATOM 0 H LYS A 69 -3.846 -7.024 10.940 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.863 -5.272 11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.928 -7.870 11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.339 -7.497 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.043 -6.536 12.451 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.426 -8.059 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.160 -6.932 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.553 -5.389 10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.180 -5.431 12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.774 -6.989 11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.133 -5.065 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.590 -6.029 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.839 -4.540 9.874 1.00 0.00 H new ATOM 1163 N ILE A 70 -2.317 -5.303 8.622 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.108 -4.544 7.401 1.00 0.00 C ATOM 1165 C ILE A 70 -2.857 -3.213 7.449 1.00 0.00 C ATOM 1166 O ILE A 70 -2.355 -2.199 6.976 1.00 0.00 O ATOM 1167 CB ILE A 70 -2.524 -5.363 6.160 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -1.581 -6.561 6.009 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -2.522 -4.503 4.899 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.830 -7.395 4.774 1.00 0.00 C ATOM 0 H ILE A 70 -2.916 -6.121 8.510 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.042 -4.330 7.321 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.544 -5.722 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.553 -6.199 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.677 -7.197 6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.819 -5.110 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.224 -3.678 5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.521 -4.106 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.120 -8.222 4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.846 -7.790 4.800 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.704 -6.776 3.886 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.054 -3.225 8.025 1.00 0.00 N ATOM 1183 CA LEU A 71 -4.847 -2.010 8.198 1.00 0.00 C ATOM 1184 C LEU A 71 -4.060 -0.949 8.958 1.00 0.00 C ATOM 1185 O LEU A 71 -3.982 0.207 8.541 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.138 -2.322 8.963 1.00 0.00 C ATOM 1187 CG LEU A 71 -7.138 -3.215 8.233 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -8.389 -3.409 9.076 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.485 -2.628 6.877 1.00 0.00 C ATOM 0 H LEU A 71 -4.501 -4.069 8.383 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.091 -1.628 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.874 -2.799 9.907 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.630 -1.381 9.208 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.680 -4.191 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.092 -4.048 8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.121 -3.877 10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.852 -2.441 9.268 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.199 -3.278 6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.925 -1.640 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.580 -2.544 6.275 1.00 0.00 H new ATOM 1201 N GLU A 72 -3.484 -1.353 10.080 1.00 0.00 N ATOM 1202 CA GLU A 72 -2.688 -0.454 10.894 1.00 0.00 C ATOM 1203 C GLU A 72 -1.389 -0.101 10.170 1.00 0.00 C ATOM 1204 O GLU A 72 -0.899 1.029 10.262 1.00 0.00 O ATOM 1205 CB GLU A 72 -2.398 -1.092 12.255 1.00 0.00 C ATOM 1206 CG GLU A 72 -2.336 -0.084 13.390 1.00 0.00 C ATOM 1207 CD GLU A 72 -3.629 0.696 13.535 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -3.826 1.675 12.783 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -4.460 0.326 14.390 1.00 0.00 O ATOM 0 H GLU A 72 -3.555 -2.302 10.447 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.248 0.466 11.060 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.170 -1.829 12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.451 -1.629 12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.120 -0.604 14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.513 0.609 13.214 1.00 0.00 H new ATOM 1216 N ASP A 73 -0.848 -1.078 9.444 1.00 0.00 N ATOM 1217 CA ASP A 73 0.385 -0.892 8.681 1.00 0.00 C ATOM 1218 C ASP A 73 0.199 0.149 7.592 1.00 0.00 C ATOM 1219 O ASP A 73 0.998 1.068 7.443 1.00 0.00 O ATOM 1220 CB ASP A 73 0.790 -2.185 7.991 1.00 0.00 C ATOM 1221 CG ASP A 73 2.273 -2.446 8.056 1.00 0.00 C ATOM 1222 OD1 ASP A 73 3.003 -1.925 7.181 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.710 -3.201 8.938 1.00 0.00 O ATOM 0 H ASP A 73 -1.248 -2.013 9.368 1.00 0.00 H new ATOM 0 HA ASP A 73 1.149 -0.573 9.390 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.259 -3.018 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.479 -2.147 6.947 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.863 -0.029 6.821 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.145 0.811 5.673 1.00 0.00 C ATOM 1230 C GLU A 74 -1.383 2.255 6.131 1.00 0.00 C ATOM 1231 O GLU A 74 -0.962 3.196 5.466 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.356 0.240 4.919 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.292 0.378 3.399 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.033 -0.218 2.778 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.913 -1.473 2.661 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.145 0.564 2.388 1.00 0.00 O ATOM 0 H GLU A 74 -1.554 -0.763 6.977 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.294 0.821 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.456 -0.816 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.257 0.739 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.165 -0.107 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.350 1.434 3.137 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.016 2.416 7.299 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.202 3.740 7.902 1.00 0.00 C ATOM 1245 C GLU A 75 -0.850 4.372 8.228 1.00 0.00 C ATOM 1246 O GLU A 75 -0.670 5.587 8.123 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.048 3.639 9.182 1.00 0.00 C ATOM 1248 CG GLU A 75 -4.272 4.531 9.179 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.071 4.368 7.908 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -5.725 3.323 7.746 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -4.921 5.194 6.995 1.00 0.00 O ATOM 0 H GLU A 75 -2.407 1.648 7.844 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.726 4.369 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.364 2.605 9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.425 3.896 10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.900 4.293 10.038 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.966 5.572 9.287 1.00 0.00 H new ATOM 1258 N LYS A 76 0.100 3.528 8.620 1.00 0.00 N ATOM 1259 CA LYS A 76 1.451 3.973 8.938 1.00 0.00 C ATOM 1260 C LYS A 76 2.154 4.467 7.673 1.00 0.00 C ATOM 1261 O LYS A 76 3.010 5.349 7.726 1.00 0.00 O ATOM 1262 CB LYS A 76 2.258 2.841 9.587 1.00 0.00 C ATOM 1263 CG LYS A 76 3.509 3.315 10.311 1.00 0.00 C ATOM 1264 CD LYS A 76 3.152 4.134 11.540 1.00 0.00 C ATOM 1265 CE LYS A 76 4.387 4.548 12.324 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.237 5.512 11.578 1.00 0.00 N ATOM 0 H LYS A 76 -0.044 2.524 8.725 1.00 0.00 H new ATOM 0 HA LYS A 76 1.384 4.796 9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.619 2.311 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.545 2.124 8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.111 2.455 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.119 3.914 9.635 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.600 5.023 11.236 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.491 3.553 12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.080 4.995 13.270 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.974 3.662 12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.808 6.064 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.867 4.993 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.632 6.155 11.028 1.00 0.00 H new ATOM 1280 N HIS A 77 1.808 3.871 6.541 1.00 0.00 N ATOM 1281 CA HIS A 77 2.365 4.295 5.260 1.00 0.00 C ATOM 1282 C HIS A 77 1.795 5.655 4.869 1.00 0.00 C ATOM 1283 O HIS A 77 2.524 6.579 4.501 1.00 0.00 O ATOM 1284 CB HIS A 77 2.016 3.306 4.147 1.00 0.00 C ATOM 1285 CG HIS A 77 2.458 1.899 4.388 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.079 0.849 3.591 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.237 1.370 5.364 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.616 -0.264 4.093 1.00 0.00 C ATOM 1289 NE2 HIS A 77 3.333 -0.015 5.176 1.00 0.00 N ATOM 0 H HIS A 77 1.148 3.096 6.481 1.00 0.00 H new ATOM 0 HA HIS A 77 3.448 4.345 5.377 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.936 3.311 4.003 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.463 3.657 3.217 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.490 0.909 2.760 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.708 1.928 6.160 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.482 -1.247 3.667 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.845 -0.685 5.750 1.00 0.00 H new ATOM 1296 N ILE A 78 0.474 5.756 4.975 1.00 0.00 N ATOM 1297 CA ILE A 78 -0.274 6.924 4.527 1.00 0.00 C ATOM 1298 C ILE A 78 0.122 8.190 5.283 1.00 0.00 C ATOM 1299 O ILE A 78 0.276 9.254 4.677 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.789 6.675 4.673 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -2.205 5.486 3.801 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -2.582 7.918 4.294 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.627 5.030 4.028 1.00 0.00 C ATOM 0 H ILE A 78 -0.111 5.024 5.377 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.028 7.080 3.477 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.006 6.444 5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.083 5.757 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.531 4.652 3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.648 7.718 4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.298 8.744 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.369 8.184 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.847 4.185 3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.750 4.727 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.312 5.849 3.805 1.00 0.00 H new ATOM 1315 N GLU A 79 0.294 8.079 6.600 1.00 0.00 N ATOM 1316 CA GLU A 79 0.694 9.230 7.412 1.00 0.00 C ATOM 1317 C GLU A 79 2.002 9.826 6.898 1.00 0.00 C ATOM 1318 O GLU A 79 2.198 11.043 6.925 1.00 0.00 O ATOM 1319 CB GLU A 79 0.852 8.842 8.882 1.00 0.00 C ATOM 1320 CG GLU A 79 1.808 7.685 9.102 1.00 0.00 C ATOM 1321 CD GLU A 79 2.415 7.663 10.488 1.00 0.00 C ATOM 1322 OE1 GLU A 79 1.664 7.765 11.480 1.00 0.00 O ATOM 1323 OE2 GLU A 79 3.652 7.522 10.593 1.00 0.00 O ATOM 0 H GLU A 79 0.164 7.214 7.124 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.096 9.977 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.206 9.707 9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.125 8.578 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.278 6.748 8.930 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.608 7.739 8.364 1.00 0.00 H new ATOM 1330 N TRP A 80 2.886 8.958 6.424 1.00 0.00 N ATOM 1331 CA TRP A 80 4.169 9.384 5.899 1.00 0.00 C ATOM 1332 C TRP A 80 3.996 10.093 4.562 1.00 0.00 C ATOM 1333 O TRP A 80 4.367 11.257 4.420 1.00 0.00 O ATOM 1334 CB TRP A 80 5.109 8.179 5.758 1.00 0.00 C ATOM 1335 CG TRP A 80 6.331 8.453 4.934 1.00 0.00 C ATOM 1336 CD1 TRP A 80 6.798 7.691 3.907 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.227 9.570 5.050 1.00 0.00 C ATOM 1338 NE1 TRP A 80 7.931 8.255 3.378 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.211 9.410 4.059 1.00 0.00 C ATOM 1340 CE3 TRP A 80 7.294 10.690 5.891 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 9.245 10.322 3.886 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 8.323 11.593 5.714 1.00 0.00 C ATOM 1343 CH2 TRP A 80 9.286 11.405 4.717 1.00 0.00 C ATOM 0 H TRP A 80 2.733 7.950 6.394 1.00 0.00 H new ATOM 0 HA TRP A 80 4.614 10.091 6.599 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.418 7.854 6.751 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.558 7.352 5.309 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.343 6.776 3.559 1.00 0.00 H new ATOM 0 HE1 TRP A 80 8.476 7.876 2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.554 10.843 6.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 9.992 10.179 3.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.386 12.459 6.356 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.078 12.131 4.602 1.00 0.00 H new ATOM 1354 N HIS A 81 3.407 9.397 3.596 1.00 0.00 N ATOM 1355 CA HIS A 81 3.279 9.929 2.244 1.00 0.00 C ATOM 1356 C HIS A 81 2.490 11.233 2.205 1.00 0.00 C ATOM 1357 O HIS A 81 2.861 12.160 1.486 1.00 0.00 O ATOM 1358 CB HIS A 81 2.646 8.895 1.312 1.00 0.00 C ATOM 1359 CG HIS A 81 3.635 7.898 0.787 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.421 8.120 -0.319 1.00 0.00 N ATOM 1361 CD2 HIS A 81 3.988 6.677 1.256 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.212 7.058 -0.488 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.992 6.152 0.443 1.00 0.00 N ATOM 0 H HIS A 81 3.011 8.465 3.723 1.00 0.00 H new ATOM 0 HA HIS A 81 4.288 10.151 1.895 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.855 8.368 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.176 9.409 0.473 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.403 8.952 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.561 6.189 2.120 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.936 6.955 -1.283 1.00 0.00 H new ATOM 1371 N LYS A 82 1.418 11.321 2.986 1.00 0.00 N ATOM 1372 CA LYS A 82 0.591 12.522 2.993 1.00 0.00 C ATOM 1373 C LYS A 82 1.383 13.720 3.521 1.00 0.00 C ATOM 1374 O LYS A 82 1.291 14.822 2.981 1.00 0.00 O ATOM 1375 CB LYS A 82 -0.680 12.296 3.820 1.00 0.00 C ATOM 1376 CG LYS A 82 -1.758 13.350 3.586 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.738 14.446 4.646 1.00 0.00 C ATOM 1378 CE LYS A 82 -2.242 13.931 5.983 1.00 0.00 C ATOM 1379 NZ LYS A 82 -2.334 15.008 7.003 1.00 0.00 N ATOM 0 H LYS A 82 1.104 10.583 3.616 1.00 0.00 H new ATOM 0 HA LYS A 82 0.293 12.741 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.087 11.313 3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.418 12.286 4.878 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.618 13.797 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.737 12.870 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.723 14.826 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.357 15.282 4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.223 13.476 5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.575 13.148 6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.682 14.609 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.393 15.426 7.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.991 15.744 6.673 1.00 0.00 H new ATOM 1393 N ALA A 83 2.172 13.495 4.567 1.00 0.00 N ATOM 1394 CA ALA A 83 3.007 14.550 5.140 1.00 0.00 C ATOM 1395 C ALA A 83 4.179 14.887 4.218 1.00 0.00 C ATOM 1396 O ALA A 83 4.609 16.040 4.131 1.00 0.00 O ATOM 1397 CB ALA A 83 3.517 14.132 6.513 1.00 0.00 C ATOM 0 H ALA A 83 2.252 12.593 5.036 1.00 0.00 H new ATOM 0 HA ALA A 83 2.395 15.445 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.137 14.926 6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.671 13.949 7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.109 13.221 6.420 1.00 0.00 H new ATOM 1403 N ALA A 84 4.674 13.871 3.521 1.00 0.00 N ATOM 1404 CA ALA A 84 5.846 14.003 2.659 1.00 0.00 C ATOM 1405 C ALA A 84 5.548 14.766 1.374 1.00 0.00 C ATOM 1406 O ALA A 84 6.467 15.081 0.623 1.00 0.00 O ATOM 1407 CB ALA A 84 6.417 12.632 2.324 1.00 0.00 C ATOM 0 H ALA A 84 4.276 12.932 3.536 1.00 0.00 H new ATOM 0 HA ALA A 84 6.581 14.582 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.290 12.748 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.709 12.125 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.662 12.040 1.807 1.00 0.00 H new ATOM 1484 N ALA A 90 14.026 13.593 -4.166 1.00 0.00 N ATOM 1485 CA ALA A 90 14.530 12.657 -5.172 1.00 0.00 C ATOM 1486 C ALA A 90 15.114 11.378 -4.561 1.00 0.00 C ATOM 1487 O ALA A 90 14.376 10.442 -4.256 1.00 0.00 O ATOM 1488 CB ALA A 90 15.544 13.337 -6.080 1.00 0.00 C ATOM 0 HA ALA A 90 13.672 12.349 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.906 12.623 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 90 15.072 14.178 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.382 13.697 -5.484 1.00 0.00 H new ATOM 1494 N GLU A 91 16.431 11.357 -4.359 1.00 0.00 N ATOM 1495 CA GLU A 91 17.134 10.134 -3.967 1.00 0.00 C ATOM 1496 C GLU A 91 16.691 9.632 -2.593 1.00 0.00 C ATOM 1497 O GLU A 91 16.440 8.437 -2.409 1.00 0.00 O ATOM 1498 CB GLU A 91 18.654 10.351 -3.987 1.00 0.00 C ATOM 1499 CG GLU A 91 19.147 11.411 -3.015 1.00 0.00 C ATOM 1500 CD GLU A 91 20.658 11.473 -2.944 1.00 0.00 C ATOM 1501 OE1 GLU A 91 21.275 10.492 -2.481 1.00 0.00 O ATOM 1502 OE2 GLU A 91 21.237 12.499 -3.356 1.00 0.00 O ATOM 0 H GLU A 91 17.034 12.173 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 91 16.874 9.368 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.147 9.406 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.956 10.631 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.760 12.384 -3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.748 11.203 -2.022 1.00 0.00 H new ATOM 1509 N GLN A 92 16.583 10.539 -1.634 1.00 0.00 N ATOM 1510 CA GLN A 92 16.174 10.168 -0.287 1.00 0.00 C ATOM 1511 C GLN A 92 14.715 9.723 -0.288 1.00 0.00 C ATOM 1512 O GLN A 92 14.326 8.819 0.449 1.00 0.00 O ATOM 1513 CB GLN A 92 16.399 11.330 0.689 1.00 0.00 C ATOM 1514 CG GLN A 92 15.678 12.614 0.311 1.00 0.00 C ATOM 1515 CD GLN A 92 16.073 13.782 1.190 1.00 0.00 C ATOM 1516 OE1 GLN A 92 17.009 14.518 0.879 1.00 0.00 O ATOM 1517 NE2 GLN A 92 15.367 13.959 2.293 1.00 0.00 N ATOM 0 H GLN A 92 16.772 11.533 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 92 16.788 9.332 0.049 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.072 11.023 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 92 17.468 11.533 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.896 12.856 -0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.602 12.457 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.599 13.326 2.514 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.591 14.729 2.924 1.00 0.00 H new ATOM 1526 N PHE A 93 13.924 10.354 -1.144 1.00 0.00 N ATOM 1527 CA PHE A 93 12.519 10.015 -1.296 1.00 0.00 C ATOM 1528 C PHE A 93 12.381 8.609 -1.875 1.00 0.00 C ATOM 1529 O PHE A 93 11.614 7.793 -1.366 1.00 0.00 O ATOM 1530 CB PHE A 93 11.840 11.052 -2.198 1.00 0.00 C ATOM 1531 CG PHE A 93 10.380 10.806 -2.458 1.00 0.00 C ATOM 1532 CD1 PHE A 93 9.434 11.019 -1.466 1.00 0.00 C ATOM 1533 CD2 PHE A 93 9.954 10.371 -3.701 1.00 0.00 C ATOM 1534 CE1 PHE A 93 8.091 10.801 -1.714 1.00 0.00 C ATOM 1535 CE2 PHE A 93 8.615 10.153 -3.953 1.00 0.00 C ATOM 1536 CZ PHE A 93 7.682 10.367 -2.961 1.00 0.00 C ATOM 0 H PHE A 93 14.238 11.112 -1.750 1.00 0.00 H new ATOM 0 HA PHE A 93 12.030 10.028 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 93 11.952 12.036 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.364 11.080 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.749 11.358 -0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 93 10.679 10.200 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.363 10.970 -0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.298 9.814 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.634 10.196 -3.158 1.00 0.00 H new ATOM 1546 N ALA A 94 13.154 8.327 -2.922 1.00 0.00 N ATOM 1547 CA ALA A 94 13.148 7.015 -3.561 1.00 0.00 C ATOM 1548 C ALA A 94 13.509 5.914 -2.571 1.00 0.00 C ATOM 1549 O ALA A 94 12.884 4.855 -2.552 1.00 0.00 O ATOM 1550 CB ALA A 94 14.116 6.996 -4.734 1.00 0.00 C ATOM 0 H ALA A 94 13.796 8.996 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 94 12.138 6.826 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.102 6.012 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 94 13.818 7.749 -5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.123 7.214 -4.378 1.00 0.00 H new ATOM 1556 N SER A 95 14.511 6.180 -1.741 1.00 0.00 N ATOM 1557 CA SER A 95 14.959 5.222 -0.738 1.00 0.00 C ATOM 1558 C SER A 95 13.836 4.889 0.246 1.00 0.00 C ATOM 1559 O SER A 95 13.649 3.732 0.631 1.00 0.00 O ATOM 1560 CB SER A 95 16.166 5.784 0.018 1.00 0.00 C ATOM 1561 OG SER A 95 17.245 6.054 -0.867 1.00 0.00 O ATOM 0 H SER A 95 15.031 7.057 -1.744 1.00 0.00 H new ATOM 0 HA SER A 95 15.247 4.303 -1.249 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.880 6.699 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 95 16.486 5.072 0.779 1.00 0.00 H new ATOM 0 HG SER A 95 17.026 6.831 -1.422 1.00 0.00 H new ATOM 1567 N LEU A 96 13.084 5.908 0.632 1.00 0.00 N ATOM 1568 CA LEU A 96 11.995 5.747 1.585 1.00 0.00 C ATOM 1569 C LEU A 96 10.811 5.015 0.952 1.00 0.00 C ATOM 1570 O LEU A 96 10.108 4.255 1.619 1.00 0.00 O ATOM 1571 CB LEU A 96 11.586 7.120 2.118 1.00 0.00 C ATOM 1572 CG LEU A 96 12.652 7.793 2.987 1.00 0.00 C ATOM 1573 CD1 LEU A 96 12.340 9.264 3.197 1.00 0.00 C ATOM 1574 CD2 LEU A 96 12.762 7.088 4.329 1.00 0.00 C ATOM 0 H LEU A 96 13.209 6.863 0.297 1.00 0.00 H new ATOM 0 HA LEU A 96 12.335 5.133 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.354 7.771 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.671 7.015 2.700 1.00 0.00 H new ATOM 0 HG LEU A 96 13.606 7.718 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.114 9.715 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 96 12.307 9.770 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 96 11.374 9.364 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 96 13.524 7.578 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.803 7.134 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.039 6.046 4.171 1.00 0.00 H new ATOM 1586 N VAL A 97 10.606 5.239 -0.339 1.00 0.00 N ATOM 1587 CA VAL A 97 9.567 4.540 -1.089 1.00 0.00 C ATOM 1588 C VAL A 97 9.955 3.076 -1.304 1.00 0.00 C ATOM 1589 O VAL A 97 9.107 2.183 -1.287 1.00 0.00 O ATOM 1590 CB VAL A 97 9.296 5.217 -2.453 1.00 0.00 C ATOM 1591 CG1 VAL A 97 8.271 4.432 -3.263 1.00 0.00 C ATOM 1592 CG2 VAL A 97 8.824 6.648 -2.249 1.00 0.00 C ATOM 0 H VAL A 97 11.148 5.903 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 97 8.651 4.587 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 97 10.231 5.231 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.101 4.932 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.644 3.424 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.334 4.378 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.637 7.111 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.904 6.648 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.591 7.212 -1.719 1.00 0.00 H new ATOM 1602 N GLN A 98 11.247 2.842 -1.500 1.00 0.00 N ATOM 1603 CA GLN A 98 11.774 1.494 -1.708 1.00 0.00 C ATOM 1604 C GLN A 98 11.408 0.596 -0.524 1.00 0.00 C ATOM 1605 O GLN A 98 10.963 -0.538 -0.703 1.00 0.00 O ATOM 1606 CB GLN A 98 13.299 1.566 -1.883 1.00 0.00 C ATOM 1607 CG GLN A 98 13.923 0.423 -2.682 1.00 0.00 C ATOM 1608 CD GLN A 98 14.043 -0.875 -1.899 1.00 0.00 C ATOM 1609 OE1 GLN A 98 15.021 -1.088 -1.184 1.00 0.00 O ATOM 1610 NE2 GLN A 98 13.081 -1.768 -2.067 1.00 0.00 N ATOM 0 H GLN A 98 11.957 3.574 -1.520 1.00 0.00 H new ATOM 0 HA GLN A 98 11.333 1.065 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.547 2.507 -2.374 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.760 1.590 -0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.323 0.245 -3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.914 0.726 -3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.286 -1.554 -2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.135 -2.671 -1.595 1.00 0.00 H new ATOM 1619 N GLN A 99 11.566 1.124 0.686 1.00 0.00 N ATOM 1620 CA GLN A 99 11.257 0.367 1.895 1.00 0.00 C ATOM 1621 C GLN A 99 9.759 0.095 1.996 1.00 0.00 C ATOM 1622 O GLN A 99 9.341 -0.958 2.479 1.00 0.00 O ATOM 1623 CB GLN A 99 11.750 1.111 3.134 1.00 0.00 C ATOM 1624 CG GLN A 99 13.231 1.447 3.078 1.00 0.00 C ATOM 1625 CD GLN A 99 13.767 1.953 4.399 1.00 0.00 C ATOM 1626 OE1 GLN A 99 13.042 2.553 5.191 1.00 0.00 O ATOM 1627 NE2 GLN A 99 15.047 1.715 4.641 1.00 0.00 N ATOM 0 H GLN A 99 11.905 2.071 0.856 1.00 0.00 H new ATOM 0 HA GLN A 99 11.774 -0.591 1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.179 2.032 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 99 11.555 0.503 4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.789 0.559 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.399 2.202 2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.611 1.213 3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.469 2.033 5.513 1.00 0.00 H new ATOM 1636 N HIS A 100 8.959 1.047 1.520 1.00 0.00 N ATOM 1637 CA HIS A 100 7.510 0.886 1.453 1.00 0.00 C ATOM 1638 C HIS A 100 7.173 -0.309 0.563 1.00 0.00 C ATOM 1639 O HIS A 100 6.330 -1.138 0.902 1.00 0.00 O ATOM 1640 CB HIS A 100 6.881 2.169 0.890 1.00 0.00 C ATOM 1641 CG HIS A 100 5.382 2.250 0.977 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.686 3.428 0.857 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.442 1.281 1.147 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.385 3.160 0.959 1.00 0.00 C ATOM 1645 NE2 HIS A 100 3.176 1.865 1.137 1.00 0.00 N ATOM 0 H HIS A 100 9.295 1.945 1.172 1.00 0.00 H new ATOM 0 HA HIS A 100 7.109 0.705 2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.304 3.022 1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.172 2.266 -0.156 1.00 0.00 H new ATOM 0 HD1 HIS A 100 5.096 4.351 0.714 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.644 0.227 1.270 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.603 3.903 0.904 1.00 0.00 H new ATOM 0 HE2 HIS A 100 2.278 1.394 1.244 1.00 0.00 H new ATOM 1653 N LEU A 101 7.865 -0.393 -0.569 1.00 0.00 N ATOM 1654 CA LEU A 101 7.678 -1.482 -1.519 1.00 0.00 C ATOM 1655 C LEU A 101 7.985 -2.830 -0.872 1.00 0.00 C ATOM 1656 O LEU A 101 7.236 -3.792 -1.036 1.00 0.00 O ATOM 1657 CB LEU A 101 8.580 -1.277 -2.737 1.00 0.00 C ATOM 1658 CG LEU A 101 8.417 -2.310 -3.854 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.064 -2.158 -4.529 1.00 0.00 C ATOM 1660 CD2 LEU A 101 9.542 -2.176 -4.866 1.00 0.00 C ATOM 0 H LEU A 101 8.568 0.289 -0.852 1.00 0.00 H new ATOM 0 HA LEU A 101 6.635 -1.480 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.386 -0.287 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.618 -1.286 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 101 8.467 -3.306 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.967 -2.901 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.272 -2.305 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.981 -1.159 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.412 -2.917 -5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.523 -1.177 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.499 -2.338 -4.370 1.00 0.00 H new ATOM 1672 N GLN A 102 9.097 -2.892 -0.145 1.00 0.00 N ATOM 1673 CA GLN A 102 9.501 -4.096 0.550 1.00 0.00 C ATOM 1674 C GLN A 102 8.455 -4.493 1.587 1.00 0.00 C ATOM 1675 O GLN A 102 8.144 -5.672 1.759 1.00 0.00 O ATOM 1676 CB GLN A 102 10.848 -3.859 1.226 1.00 0.00 C ATOM 1677 CG GLN A 102 11.400 -5.095 1.890 1.00 0.00 C ATOM 1678 CD GLN A 102 12.628 -4.819 2.734 1.00 0.00 C ATOM 1679 OE1 GLN A 102 12.783 -3.734 3.296 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.511 -5.800 2.828 1.00 0.00 N ATOM 0 H GLN A 102 9.738 -2.107 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 102 9.593 -4.910 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.563 -3.502 0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.741 -3.070 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.627 -5.539 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.650 -5.830 1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.345 -6.684 2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.358 -5.672 3.382 1.00 0.00 H new ATOM 1689 N ASP A 103 7.917 -3.489 2.264 1.00 0.00 N ATOM 1690 CA ASP A 103 6.892 -3.687 3.281 1.00 0.00 C ATOM 1691 C ASP A 103 5.647 -4.354 2.698 1.00 0.00 C ATOM 1692 O ASP A 103 5.140 -5.329 3.256 1.00 0.00 O ATOM 1693 CB ASP A 103 6.521 -2.334 3.903 1.00 0.00 C ATOM 1694 CG ASP A 103 5.286 -2.397 4.775 1.00 0.00 C ATOM 1695 OD1 ASP A 103 4.174 -2.567 4.276 1.00 0.00 O ATOM 1696 OD2 ASP A 103 5.358 -2.235 5.994 1.00 0.00 O ATOM 0 H ASP A 103 8.178 -2.513 2.124 1.00 0.00 H new ATOM 0 HA ASP A 103 7.294 -4.348 4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.360 -1.973 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.359 -1.608 3.107 1.00 0.00 H new ATOM 1701 N GLU A 104 5.162 -3.828 1.577 1.00 0.00 N ATOM 1702 CA GLU A 104 3.928 -4.322 0.970 1.00 0.00 C ATOM 1703 C GLU A 104 4.082 -5.767 0.498 1.00 0.00 C ATOM 1704 O GLU A 104 3.090 -6.473 0.321 1.00 0.00 O ATOM 1705 CB GLU A 104 3.510 -3.436 -0.203 1.00 0.00 C ATOM 1706 CG GLU A 104 3.322 -1.973 0.168 1.00 0.00 C ATOM 1707 CD GLU A 104 2.055 -1.679 0.957 1.00 0.00 C ATOM 1708 OE1 GLU A 104 1.366 -2.614 1.433 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.736 -0.490 1.123 1.00 0.00 O ATOM 0 H GLU A 104 5.603 -3.061 1.070 1.00 0.00 H new ATOM 0 HA GLU A 104 3.151 -4.290 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.264 -3.508 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.578 -3.818 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.182 -1.646 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.312 -1.378 -0.745 1.00 0.00 H new ATOM 1716 N GLN A 105 5.322 -6.207 0.307 1.00 0.00 N ATOM 1717 CA GLN A 105 5.586 -7.590 -0.075 1.00 0.00 C ATOM 1718 C GLN A 105 5.119 -8.532 1.028 1.00 0.00 C ATOM 1719 O GLN A 105 4.568 -9.600 0.758 1.00 0.00 O ATOM 1720 CB GLN A 105 7.073 -7.802 -0.349 1.00 0.00 C ATOM 1721 CG GLN A 105 7.617 -6.925 -1.464 1.00 0.00 C ATOM 1722 CD GLN A 105 9.095 -7.155 -1.717 1.00 0.00 C ATOM 1723 OE1 GLN A 105 9.605 -8.261 -1.530 1.00 0.00 O ATOM 1724 NE2 GLN A 105 9.795 -6.112 -2.140 1.00 0.00 N ATOM 0 H GLN A 105 6.156 -5.629 0.410 1.00 0.00 H new ATOM 0 HA GLN A 105 5.034 -7.807 -0.990 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.634 -7.604 0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.241 -8.848 -0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.060 -7.121 -2.380 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.454 -5.878 -1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.335 -5.213 -2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.794 -6.208 -2.323 1.00 0.00 H new ATOM 1733 N ARG A 106 5.329 -8.117 2.275 1.00 0.00 N ATOM 1734 CA ARG A 106 4.850 -8.873 3.424 1.00 0.00 C ATOM 1735 C ARG A 106 3.334 -8.797 3.506 1.00 0.00 C ATOM 1736 O ARG A 106 2.680 -9.751 3.933 1.00 0.00 O ATOM 1737 CB ARG A 106 5.473 -8.355 4.722 1.00 0.00 C ATOM 1738 CG ARG A 106 6.890 -8.849 4.961 1.00 0.00 C ATOM 1739 CD ARG A 106 6.938 -10.369 5.026 1.00 0.00 C ATOM 1740 NE ARG A 106 8.199 -10.867 5.579 1.00 0.00 N ATOM 1741 CZ ARG A 106 8.651 -12.109 5.403 1.00 0.00 C ATOM 1742 NH1 ARG A 106 8.028 -12.938 4.572 1.00 0.00 N ATOM 1743 NH2 ARG A 106 9.760 -12.506 6.013 1.00 0.00 N ATOM 0 H ARG A 106 5.828 -7.260 2.513 1.00 0.00 H new ATOM 0 HA ARG A 106 5.149 -9.913 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.476 -7.265 4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.846 -8.657 5.561 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.541 -8.496 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.272 -8.430 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.110 -10.730 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.798 -10.777 4.025 1.00 0.00 H new ATOM 0 HE ARG A 106 8.766 -10.225 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.200 -12.625 4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.378 -13.887 4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.268 -11.861 6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.104 -13.456 5.877 1.00 0.00 H new ATOM 1757 N HIS A 107 2.782 -7.658 3.088 1.00 0.00 N ATOM 1758 CA HIS A 107 1.335 -7.472 3.063 1.00 0.00 C ATOM 1759 C HIS A 107 0.692 -8.504 2.144 1.00 0.00 C ATOM 1760 O HIS A 107 -0.239 -9.207 2.534 1.00 0.00 O ATOM 1761 CB HIS A 107 0.958 -6.051 2.601 1.00 0.00 C ATOM 1762 CG HIS A 107 1.212 -4.999 3.637 1.00 0.00 C ATOM 1763 ND1 HIS A 107 0.478 -3.830 3.769 1.00 0.00 N ATOM 1764 CD2 HIS A 107 2.132 -4.983 4.627 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.976 -3.167 4.831 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.989 -3.818 5.377 1.00 0.00 N ATOM 0 H HIS A 107 3.316 -6.852 2.763 1.00 0.00 H new ATOM 0 HA HIS A 107 0.962 -7.607 4.078 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.524 -5.808 1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.097 -6.034 2.328 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.294 -3.529 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.865 -5.755 4.809 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.596 -2.223 5.191 1.00 0.00 H new ATOM 1773 N VAL A 108 1.224 -8.611 0.932 1.00 0.00 N ATOM 1774 CA VAL A 108 0.694 -9.532 -0.064 1.00 0.00 C ATOM 1775 C VAL A 108 0.821 -10.983 0.394 1.00 0.00 C ATOM 1776 O VAL A 108 -0.104 -11.776 0.207 1.00 0.00 O ATOM 1777 CB VAL A 108 1.401 -9.358 -1.426 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.829 -10.313 -2.465 1.00 0.00 C ATOM 1779 CG2 VAL A 108 1.279 -7.923 -1.903 1.00 0.00 C ATOM 0 H VAL A 108 2.027 -8.067 0.615 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.363 -9.292 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 108 2.456 -9.596 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.345 -10.169 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.967 -11.341 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.235 -10.114 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.782 -7.815 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.226 -7.665 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.742 -7.257 -1.175 1.00 0.00 H new ATOM 1789 N GLU A 109 1.953 -11.326 1.010 1.00 0.00 N ATOM 1790 CA GLU A 109 2.184 -12.697 1.462 1.00 0.00 C ATOM 1791 C GLU A 109 1.106 -13.157 2.429 1.00 0.00 C ATOM 1792 O GLU A 109 0.536 -14.235 2.260 1.00 0.00 O ATOM 1793 CB GLU A 109 3.539 -12.840 2.146 1.00 0.00 C ATOM 1794 CG GLU A 109 4.699 -13.044 1.192 1.00 0.00 C ATOM 1795 CD GLU A 109 5.934 -13.539 1.908 1.00 0.00 C ATOM 1796 OE1 GLU A 109 5.989 -14.744 2.245 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.846 -12.730 2.159 1.00 0.00 O ATOM 0 H GLU A 109 2.717 -10.680 1.206 1.00 0.00 H new ATOM 0 HA GLU A 109 2.159 -13.320 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.727 -11.948 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.498 -13.683 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.414 -13.760 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.924 -12.105 0.687 1.00 0.00 H new ATOM 1804 N GLU A 110 0.812 -12.334 3.429 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.147 -12.719 4.454 1.00 0.00 C ATOM 1806 C GLU A 110 -1.556 -12.744 3.877 1.00 0.00 C ATOM 1807 O GLU A 110 -2.384 -13.572 4.264 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.061 -11.784 5.661 1.00 0.00 C ATOM 1809 CG GLU A 110 -0.758 -12.336 6.892 1.00 0.00 C ATOM 1810 CD GLU A 110 -0.360 -13.770 7.197 1.00 0.00 C ATOM 1811 OE1 GLU A 110 0.854 -14.046 7.307 1.00 0.00 O ATOM 1812 OE2 GLU A 110 -1.259 -14.634 7.314 1.00 0.00 O ATOM 0 H GLU A 110 1.219 -11.407 3.550 1.00 0.00 H new ATOM 0 HA GLU A 110 0.099 -13.724 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.987 -11.599 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.503 -10.822 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.522 -11.707 7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.837 -12.286 6.747 1.00 0.00 H new ATOM 1819 N ILE A 111 -1.816 -11.847 2.933 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.070 -11.855 2.200 1.00 0.00 C ATOM 1821 C ILE A 111 -3.272 -13.209 1.521 1.00 0.00 C ATOM 1822 O ILE A 111 -4.325 -13.832 1.656 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.115 -10.739 1.129 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.176 -9.355 1.783 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -4.298 -10.939 0.194 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -4.433 -9.105 2.587 1.00 0.00 C ATOM 0 H ILE A 111 -1.172 -11.105 2.659 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.869 -11.674 2.919 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.198 -10.798 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.311 -9.235 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.097 -8.594 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.311 -10.144 -0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.208 -11.903 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.224 -10.913 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -4.397 -8.104 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.304 -9.190 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.505 -9.841 3.388 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.240 -13.674 0.824 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.318 -14.917 0.072 1.00 0.00 C ATOM 1840 C GLU A 112 -2.255 -16.140 0.985 1.00 0.00 C ATOM 1841 O GLU A 112 -2.512 -17.259 0.548 1.00 0.00 O ATOM 1842 CB GLU A 112 -1.208 -14.973 -0.977 1.00 0.00 C ATOM 1843 CG GLU A 112 -1.295 -13.862 -2.015 1.00 0.00 C ATOM 1844 CD GLU A 112 -0.295 -14.037 -3.137 1.00 0.00 C ATOM 1845 OE1 GLU A 112 0.913 -13.821 -2.903 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -0.709 -14.410 -4.257 1.00 0.00 O ATOM 0 H GLU A 112 -1.336 -13.204 0.766 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.284 -14.937 -0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.242 -14.916 -0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.247 -15.937 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -2.302 -13.836 -2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -1.126 -12.901 -1.529 1.00 0.00 H new