USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 645 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 79 THR OG1 : rot 180:sc= -0.0422 USER MOD Set 1.2: A 88 THR OG1 : rot -28:sc= 0.296 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 30 CYS SG : rot 180:sc= -1.6 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.066) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 24:sc= 0.34 USER MOD Single : A 52 GLN : amide:sc= -0.0313 K(o=-0.031,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -28:sc= 0.0267 USER MOD Single : A 62 MET CE :methyl -123:sc= -0.0935 (180deg=-0.476) USER MOD Single : A 64 MET CE :methyl 159:sc= -0.227 (180deg=-0.924) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -58:sc= -2.57! USER MOD Single : A 80 CYS SG : rot 57:sc= -5.85! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 150:sc= 0.0276 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 4.415 20.254 -1.148 1.00 0.00 N ATOM 81 CA ALA A 9 4.693 18.823 -1.179 1.00 0.00 C ATOM 82 C ALA A 9 3.433 18.026 -1.502 1.00 0.00 C ATOM 83 O ALA A 9 3.259 16.904 -1.028 1.00 0.00 O ATOM 84 CB ALA A 9 5.280 18.370 0.149 1.00 0.00 C ATOM 0 HA ALA A 9 5.422 18.637 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.482 17.300 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.209 18.908 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.570 18.577 0.950 1.00 0.00 H new ATOM 90 N ALA A 10 2.557 18.614 -2.310 1.00 0.00 N ATOM 91 CA ALA A 10 1.314 17.958 -2.696 1.00 0.00 C ATOM 92 C ALA A 10 1.587 16.719 -3.542 1.00 0.00 C ATOM 93 O ALA A 10 2.732 16.438 -3.896 1.00 0.00 O ATOM 94 CB ALA A 10 0.418 18.928 -3.452 1.00 0.00 C ATOM 0 H ALA A 10 2.685 19.544 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 10 0.802 17.640 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.507 18.425 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.187 19.782 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.931 19.274 -4.349 1.00 0.00 H new ATOM 100 N ILE A 11 0.529 15.981 -3.861 1.00 0.00 N ATOM 101 CA ILE A 11 0.656 14.772 -4.665 1.00 0.00 C ATOM 102 C ILE A 11 0.215 15.020 -6.103 1.00 0.00 C ATOM 103 O ILE A 11 -0.831 15.623 -6.347 1.00 0.00 O ATOM 104 CB ILE A 11 -0.174 13.616 -4.077 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.241 13.344 -2.630 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.011 12.363 -4.925 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.855 12.723 -1.793 1.00 0.00 C ATOM 0 H ILE A 11 -0.425 16.199 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 11 1.710 14.494 -4.654 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.225 13.903 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.108 12.683 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.553 14.281 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.603 11.554 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.352 12.564 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.039 12.072 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.490 12.558 -0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.715 13.392 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.152 11.770 -2.231 1.00 0.00 H new ATOM 119 N ILE A 12 1.018 14.550 -7.052 1.00 0.00 N ATOM 120 CA ILE A 12 0.709 14.718 -8.466 1.00 0.00 C ATOM 121 C ILE A 12 0.255 13.403 -9.090 1.00 0.00 C ATOM 122 O ILE A 12 -0.612 13.384 -9.964 1.00 0.00 O ATOM 123 CB ILE A 12 1.924 15.252 -9.248 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.224 14.747 -8.620 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.903 16.773 -9.287 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.729 15.620 -7.492 1.00 0.00 C ATOM 0 H ILE A 12 1.887 14.050 -6.867 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.101 15.445 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 12 1.870 14.882 -10.272 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.068 13.736 -8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.991 14.685 -9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.768 17.135 -9.843 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.990 17.112 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.936 17.164 -8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.654 15.202 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.918 16.626 -7.867 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.980 15.662 -6.701 1.00 0.00 H new ATOM 138 N LYS A 13 0.845 12.303 -8.634 1.00 0.00 N ATOM 139 CA LYS A 13 0.500 10.982 -9.143 1.00 0.00 C ATOM 140 C LYS A 13 -0.230 10.163 -8.083 1.00 0.00 C ATOM 141 O LYS A 13 0.382 9.550 -7.208 1.00 0.00 O ATOM 142 CB LYS A 13 1.761 10.242 -9.596 1.00 0.00 C ATOM 143 CG LYS A 13 2.470 10.906 -10.763 1.00 0.00 C ATOM 144 CD LYS A 13 3.588 10.032 -11.307 1.00 0.00 C ATOM 145 CE LYS A 13 3.956 10.419 -12.731 1.00 0.00 C ATOM 146 NZ LYS A 13 3.087 9.741 -13.733 1.00 0.00 N ATOM 0 H LYS A 13 1.565 12.301 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.165 11.112 -9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.451 10.170 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.493 9.223 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.751 11.114 -11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.879 11.865 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.465 10.121 -10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.279 8.987 -11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.870 11.499 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.998 10.160 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.370 10.031 -14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.188 8.710 -13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.095 10.008 -13.569 1.00 0.00 H new ATOM 160 N PRO A 14 -1.569 10.151 -8.162 1.00 0.00 N ATOM 161 CA PRO A 14 -2.410 9.409 -7.218 1.00 0.00 C ATOM 162 C PRO A 14 -2.288 7.899 -7.395 1.00 0.00 C ATOM 163 O PRO A 14 -1.939 7.416 -8.473 1.00 0.00 O ATOM 164 CB PRO A 14 -3.827 9.875 -7.564 1.00 0.00 C ATOM 165 CG PRO A 14 -3.748 10.301 -8.990 1.00 0.00 C ATOM 166 CD PRO A 14 -2.364 10.859 -9.179 1.00 0.00 C ATOM 0 HA PRO A 14 -2.125 9.597 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.552 9.072 -7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.141 10.698 -6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.924 9.459 -9.659 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.506 11.051 -9.216 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.989 10.671 -10.185 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.342 11.938 -9.027 1.00 0.00 H new ATOM 174 N LEU A 15 -2.578 7.159 -6.331 1.00 0.00 N ATOM 175 CA LEU A 15 -2.501 5.702 -6.368 1.00 0.00 C ATOM 176 C LEU A 15 -3.493 5.130 -7.375 1.00 0.00 C ATOM 177 O LEU A 15 -4.178 5.874 -8.077 1.00 0.00 O ATOM 178 CB LEU A 15 -2.773 5.122 -4.979 1.00 0.00 C ATOM 179 CG LEU A 15 -2.013 5.768 -3.821 1.00 0.00 C ATOM 180 CD1 LEU A 15 -2.658 5.406 -2.492 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.551 5.345 -3.839 1.00 0.00 C ATOM 0 H LEU A 15 -2.869 7.543 -5.432 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.494 5.423 -6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.841 5.203 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.532 4.059 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.058 6.850 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.104 5.875 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.689 5.760 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.644 4.324 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.026 5.815 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.485 4.261 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.094 5.656 -4.778 1.00 0.00 H new ATOM 193 N GLU A 16 -3.567 3.805 -7.438 1.00 0.00 N ATOM 194 CA GLU A 16 -4.478 3.134 -8.358 1.00 0.00 C ATOM 195 C GLU A 16 -4.891 1.768 -7.816 1.00 0.00 C ATOM 196 O GLU A 16 -4.081 1.051 -7.228 1.00 0.00 O ATOM 197 CB GLU A 16 -3.823 2.972 -9.732 1.00 0.00 C ATOM 198 CG GLU A 16 -3.459 4.292 -10.391 1.00 0.00 C ATOM 199 CD GLU A 16 -2.723 4.104 -11.704 1.00 0.00 C ATOM 200 OE1 GLU A 16 -1.562 3.646 -11.673 1.00 0.00 O ATOM 201 OE2 GLU A 16 -3.309 4.416 -12.762 1.00 0.00 O ATOM 0 H GLU A 16 -3.008 3.175 -6.863 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.371 3.751 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.922 2.367 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.501 2.423 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.367 4.869 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.838 4.875 -9.711 1.00 0.00 H new ATOM 208 N ASP A 17 -6.156 1.417 -8.018 1.00 0.00 N ATOM 209 CA ASP A 17 -6.678 0.138 -7.550 1.00 0.00 C ATOM 210 C ASP A 17 -5.724 -1.000 -7.901 1.00 0.00 C ATOM 211 O ASP A 17 -5.239 -1.089 -9.028 1.00 0.00 O ATOM 212 CB ASP A 17 -8.055 -0.129 -8.159 1.00 0.00 C ATOM 213 CG ASP A 17 -9.085 0.899 -7.734 1.00 0.00 C ATOM 214 OD1 ASP A 17 -8.864 1.569 -6.705 1.00 0.00 O ATOM 215 OD2 ASP A 17 -10.114 1.032 -8.431 1.00 0.00 O ATOM 0 H ASP A 17 -6.839 2.000 -8.502 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.772 0.188 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.974 -0.130 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.394 -1.122 -7.863 1.00 0.00 H new ATOM 220 N GLN A 18 -5.458 -1.864 -6.927 1.00 0.00 N ATOM 221 CA GLN A 18 -4.560 -2.995 -7.133 1.00 0.00 C ATOM 222 C GLN A 18 -5.323 -4.314 -7.075 1.00 0.00 C ATOM 223 O GLN A 18 -6.247 -4.473 -6.277 1.00 0.00 O ATOM 224 CB GLN A 18 -3.448 -2.988 -6.083 1.00 0.00 C ATOM 225 CG GLN A 18 -2.673 -1.682 -6.026 1.00 0.00 C ATOM 226 CD GLN A 18 -1.786 -1.477 -7.239 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.603 -2.386 -8.049 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.229 -0.279 -7.370 1.00 0.00 N ATOM 0 H GLN A 18 -5.851 -1.803 -5.988 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.115 -2.898 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.883 -3.185 -5.103 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.755 -3.803 -6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.374 -0.851 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.060 -1.667 -5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.408 0.445 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.622 -0.083 -8.166 1.00 0.00 H new ATOM 237 N TRP A 19 -4.931 -5.256 -7.924 1.00 0.00 N ATOM 238 CA TRP A 19 -5.580 -6.562 -7.969 1.00 0.00 C ATOM 239 C TRP A 19 -4.569 -7.679 -7.733 1.00 0.00 C ATOM 240 O TRP A 19 -3.865 -8.097 -8.651 1.00 0.00 O ATOM 241 CB TRP A 19 -6.275 -6.763 -9.317 1.00 0.00 C ATOM 242 CG TRP A 19 -7.559 -6.000 -9.443 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.788 -6.385 -8.990 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.739 -4.723 -10.064 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.722 -5.424 -9.292 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.104 -4.394 -9.950 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.881 -3.825 -10.703 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.627 -3.206 -10.454 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.401 -2.646 -11.202 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.764 -2.345 -11.075 1.00 0.00 C ATOM 0 H TRP A 19 -4.168 -5.141 -8.591 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.326 -6.598 -7.175 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.599 -6.457 -10.115 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.476 -7.825 -9.459 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -8.995 -7.309 -8.471 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.715 -5.470 -9.063 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.829 -4.048 -10.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.677 -2.972 -10.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.746 -1.945 -11.698 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.140 -1.415 -11.475 1.00 0.00 H new ATOM 261 N VAL A 20 -4.504 -8.160 -6.495 1.00 0.00 N ATOM 262 CA VAL A 20 -3.581 -9.230 -6.138 1.00 0.00 C ATOM 263 C VAL A 20 -4.324 -10.425 -5.552 1.00 0.00 C ATOM 264 O VAL A 20 -5.553 -10.433 -5.487 1.00 0.00 O ATOM 265 CB VAL A 20 -2.526 -8.747 -5.124 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.788 -7.530 -5.660 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.178 -8.439 -3.785 1.00 0.00 C ATOM 0 H VAL A 20 -5.080 -7.825 -5.723 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.079 -9.534 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.799 -9.545 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.047 -7.203 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.288 -7.789 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.499 -6.724 -5.841 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.419 -8.099 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.927 -7.658 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.656 -9.339 -3.398 1.00 0.00 H new ATOM 277 N ALA A 21 -3.570 -11.432 -5.124 1.00 0.00 N ATOM 278 CA ALA A 21 -4.158 -12.632 -4.540 1.00 0.00 C ATOM 279 C ALA A 21 -3.910 -12.688 -3.036 1.00 0.00 C ATOM 280 O ALA A 21 -3.041 -12.000 -2.500 1.00 0.00 O ATOM 281 CB ALA A 21 -3.600 -13.876 -5.216 1.00 0.00 C ATOM 0 H ALA A 21 -2.551 -11.441 -5.171 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.235 -12.596 -4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.048 -14.764 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.833 -13.847 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.519 -13.909 -5.082 1.00 0.00 H new ATOM 287 N PRO A 22 -4.691 -13.525 -2.338 1.00 0.00 N ATOM 288 CA PRO A 22 -4.574 -13.691 -0.886 1.00 0.00 C ATOM 289 C PRO A 22 -3.286 -14.401 -0.485 1.00 0.00 C ATOM 290 O PRO A 22 -3.249 -15.626 -0.376 1.00 0.00 O ATOM 291 CB PRO A 22 -5.791 -14.548 -0.528 1.00 0.00 C ATOM 292 CG PRO A 22 -6.110 -15.294 -1.778 1.00 0.00 C ATOM 293 CD PRO A 22 -5.747 -14.376 -2.912 1.00 0.00 C ATOM 0 HA PRO A 22 -4.543 -12.733 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.568 -15.229 0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.631 -13.930 -0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.544 -16.224 -1.832 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.166 -15.561 -1.815 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.389 -14.931 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.603 -13.787 -3.242 1.00 0.00 H new ATOM 301 N GLY A 23 -2.230 -13.623 -0.266 1.00 0.00 N ATOM 302 CA GLY A 23 -0.954 -14.196 0.122 1.00 0.00 C ATOM 303 C GLY A 23 0.221 -13.465 -0.496 1.00 0.00 C ATOM 304 O GLY A 23 1.367 -13.677 -0.103 1.00 0.00 O ATOM 0 H GLY A 23 -2.235 -12.607 -0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.863 -14.171 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.924 -15.244 -0.176 1.00 0.00 H new ATOM 308 N GLU A 24 -0.064 -12.602 -1.466 1.00 0.00 N ATOM 309 CA GLU A 24 0.980 -11.840 -2.141 1.00 0.00 C ATOM 310 C GLU A 24 1.235 -10.517 -1.425 1.00 0.00 C ATOM 311 O GLU A 24 0.588 -10.205 -0.425 1.00 0.00 O ATOM 312 CB GLU A 24 0.590 -11.577 -3.597 1.00 0.00 C ATOM 313 CG GLU A 24 0.047 -12.802 -4.313 1.00 0.00 C ATOM 314 CD GLU A 24 0.339 -12.787 -5.800 1.00 0.00 C ATOM 315 OE1 GLU A 24 0.153 -11.724 -6.429 1.00 0.00 O ATOM 316 OE2 GLU A 24 0.753 -13.836 -6.336 1.00 0.00 O ATOM 0 H GLU A 24 -1.008 -12.413 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 24 1.897 -12.429 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.161 -10.787 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.462 -11.208 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.481 -13.699 -3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.030 -12.860 -4.159 1.00 0.00 H new ATOM 323 N ASP A 25 2.183 -9.743 -1.943 1.00 0.00 N ATOM 324 CA ASP A 25 2.525 -8.454 -1.355 1.00 0.00 C ATOM 325 C ASP A 25 2.044 -7.308 -2.240 1.00 0.00 C ATOM 326 O ASP A 25 2.334 -7.270 -3.436 1.00 0.00 O ATOM 327 CB ASP A 25 4.036 -8.351 -1.142 1.00 0.00 C ATOM 328 CG ASP A 25 4.816 -8.549 -2.426 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.958 -9.712 -2.860 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.286 -7.543 -2.998 1.00 0.00 O ATOM 0 H ASP A 25 2.728 -9.987 -2.770 1.00 0.00 H new ATOM 0 HA ASP A 25 2.024 -8.379 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.275 -7.374 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.349 -9.097 -0.412 1.00 0.00 H new ATOM 335 N VAL A 26 1.306 -6.376 -1.644 1.00 0.00 N ATOM 336 CA VAL A 26 0.785 -5.229 -2.378 1.00 0.00 C ATOM 337 C VAL A 26 1.672 -4.004 -2.185 1.00 0.00 C ATOM 338 O VAL A 26 2.157 -3.745 -1.085 1.00 0.00 O ATOM 339 CB VAL A 26 -0.650 -4.885 -1.936 1.00 0.00 C ATOM 340 CG1 VAL A 26 -1.088 -3.556 -2.531 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.610 -5.997 -2.331 1.00 0.00 C ATOM 0 H VAL A 26 1.056 -6.393 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 26 0.776 -5.505 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.664 -4.792 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.104 -3.330 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.416 -2.767 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.059 -3.617 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.619 -5.737 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.594 -6.124 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.306 -6.928 -1.852 1.00 0.00 H new ATOM 351 N GLU A 27 1.878 -3.254 -3.263 1.00 0.00 N ATOM 352 CA GLU A 27 2.708 -2.056 -3.212 1.00 0.00 C ATOM 353 C GLU A 27 1.981 -0.865 -3.830 1.00 0.00 C ATOM 354 O GLU A 27 1.615 -0.889 -5.006 1.00 0.00 O ATOM 355 CB GLU A 27 4.032 -2.294 -3.940 1.00 0.00 C ATOM 356 CG GLU A 27 4.849 -3.436 -3.360 1.00 0.00 C ATOM 357 CD GLU A 27 6.063 -3.772 -4.204 1.00 0.00 C ATOM 358 OE1 GLU A 27 5.880 -4.206 -5.361 1.00 0.00 O ATOM 359 OE2 GLU A 27 7.197 -3.602 -3.708 1.00 0.00 O ATOM 0 H GLU A 27 1.482 -3.454 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 27 2.914 -1.831 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.827 -2.502 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.625 -1.380 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.173 -3.171 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.218 -4.320 -3.270 1.00 0.00 H new ATOM 366 N LEU A 28 1.776 0.175 -3.030 1.00 0.00 N ATOM 367 CA LEU A 28 1.093 1.377 -3.498 1.00 0.00 C ATOM 368 C LEU A 28 2.054 2.559 -3.564 1.00 0.00 C ATOM 369 O LEU A 28 2.195 3.312 -2.601 1.00 0.00 O ATOM 370 CB LEU A 28 -0.081 1.711 -2.575 1.00 0.00 C ATOM 371 CG LEU A 28 -1.123 0.608 -2.389 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.872 0.797 -1.079 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.093 0.586 -3.561 1.00 0.00 C ATOM 0 H LEU A 28 2.072 0.211 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 28 0.716 1.183 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.317 1.976 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.584 2.596 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.606 -0.351 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.610 0.003 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.167 0.761 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.377 1.763 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.827 -0.206 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.604 1.547 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.544 0.401 -4.484 1.00 0.00 H new ATOM 385 N ARG A 29 2.712 2.716 -4.708 1.00 0.00 N ATOM 386 CA ARG A 29 3.660 3.807 -4.901 1.00 0.00 C ATOM 387 C ARG A 29 2.947 5.068 -5.379 1.00 0.00 C ATOM 388 O ARG A 29 1.904 4.995 -6.030 1.00 0.00 O ATOM 389 CB ARG A 29 4.737 3.404 -5.910 1.00 0.00 C ATOM 390 CG ARG A 29 5.541 2.185 -5.487 1.00 0.00 C ATOM 391 CD ARG A 29 6.767 1.995 -6.367 1.00 0.00 C ATOM 392 NE ARG A 29 7.162 0.592 -6.460 1.00 0.00 N ATOM 393 CZ ARG A 29 8.380 0.193 -6.809 1.00 0.00 C ATOM 394 NH1 ARG A 29 9.317 1.086 -7.097 1.00 0.00 N ATOM 395 NH2 ARG A 29 8.662 -1.102 -6.871 1.00 0.00 N ATOM 0 H ARG A 29 2.606 2.102 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 29 4.132 4.018 -3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.265 3.202 -6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.416 4.243 -6.059 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.851 2.295 -4.448 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.912 1.296 -5.540 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.560 2.380 -7.365 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.595 2.579 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 29 6.464 -0.120 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.103 2.082 -7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.251 0.777 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.943 -1.792 -6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.597 -1.408 -7.139 1.00 0.00 H new ATOM 409 N CYS A 30 3.515 6.223 -5.051 1.00 0.00 N ATOM 410 CA CYS A 30 2.933 7.501 -5.446 1.00 0.00 C ATOM 411 C CYS A 30 4.023 8.525 -5.748 1.00 0.00 C ATOM 412 O CYS A 30 5.211 8.209 -5.709 1.00 0.00 O ATOM 413 CB CYS A 30 2.013 8.028 -4.343 1.00 0.00 C ATOM 414 SG CYS A 30 2.857 9.024 -3.092 1.00 0.00 S ATOM 0 H CYS A 30 4.378 6.301 -4.513 1.00 0.00 H new ATOM 0 HA CYS A 30 2.348 7.342 -6.352 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.224 8.627 -4.798 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.529 7.183 -3.854 1.00 0.00 H new ATOM 0 HG CYS A 30 1.997 9.426 -2.204 1.00 0.00 H new ATOM 420 N GLU A 31 3.608 9.751 -6.051 1.00 0.00 N ATOM 421 CA GLU A 31 4.550 10.820 -6.363 1.00 0.00 C ATOM 422 C GLU A 31 4.204 12.091 -5.593 1.00 0.00 C ATOM 423 O GLU A 31 3.032 12.432 -5.430 1.00 0.00 O ATOM 424 CB GLU A 31 4.552 11.105 -7.866 1.00 0.00 C ATOM 425 CG GLU A 31 5.758 11.902 -8.333 1.00 0.00 C ATOM 426 CD GLU A 31 5.923 11.883 -9.840 1.00 0.00 C ATOM 427 OE1 GLU A 31 5.355 12.771 -10.510 1.00 0.00 O ATOM 428 OE2 GLU A 31 6.619 10.980 -10.350 1.00 0.00 O ATOM 0 H GLU A 31 2.627 10.029 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 31 5.545 10.493 -6.062 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.521 10.159 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.644 11.650 -8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.660 12.934 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.657 11.499 -7.868 1.00 0.00 H new ATOM 435 N LEU A 32 5.232 12.788 -5.122 1.00 0.00 N ATOM 436 CA LEU A 32 5.039 14.022 -4.369 1.00 0.00 C ATOM 437 C LEU A 32 5.854 15.162 -4.972 1.00 0.00 C ATOM 438 O LEU A 32 7.023 14.989 -5.315 1.00 0.00 O ATOM 439 CB LEU A 32 5.434 13.817 -2.905 1.00 0.00 C ATOM 440 CG LEU A 32 5.052 12.470 -2.290 1.00 0.00 C ATOM 441 CD1 LEU A 32 6.008 12.107 -1.165 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.617 12.504 -1.782 1.00 0.00 C ATOM 0 H LEU A 32 6.208 12.520 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 32 3.983 14.288 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.514 13.940 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.976 14.608 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 32 5.125 11.705 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.721 11.146 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.023 12.042 -1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.967 12.873 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.362 11.537 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.518 13.280 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.943 12.719 -2.611 1.00 0.00 H new ATOM 454 N SER A 33 5.228 16.328 -5.097 1.00 0.00 N ATOM 455 CA SER A 33 5.895 17.496 -5.661 1.00 0.00 C ATOM 456 C SER A 33 7.199 17.786 -4.923 1.00 0.00 C ATOM 457 O SER A 33 8.109 18.409 -5.471 1.00 0.00 O ATOM 458 CB SER A 33 4.975 18.717 -5.592 1.00 0.00 C ATOM 459 OG SER A 33 5.657 19.892 -5.995 1.00 0.00 O ATOM 0 H SER A 33 4.261 16.489 -4.816 1.00 0.00 H new ATOM 0 HA SER A 33 6.128 17.283 -6.704 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.107 18.559 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.603 18.839 -4.575 1.00 0.00 H new ATOM 0 HG SER A 33 5.048 20.658 -5.944 1.00 0.00 H new ATOM 465 N ARG A 34 7.281 17.329 -3.678 1.00 0.00 N ATOM 466 CA ARG A 34 8.473 17.540 -2.864 1.00 0.00 C ATOM 467 C ARG A 34 8.846 16.268 -2.109 1.00 0.00 C ATOM 468 O ARG A 34 7.988 15.602 -1.531 1.00 0.00 O ATOM 469 CB ARG A 34 8.245 18.685 -1.876 1.00 0.00 C ATOM 470 CG ARG A 34 9.445 18.969 -0.987 1.00 0.00 C ATOM 471 CD ARG A 34 9.406 20.385 -0.435 1.00 0.00 C ATOM 472 NE ARG A 34 10.736 20.869 -0.075 1.00 0.00 N ATOM 473 CZ ARG A 34 10.968 22.076 0.429 1.00 0.00 C ATOM 474 NH1 ARG A 34 9.963 22.918 0.631 1.00 0.00 N ATOM 475 NH2 ARG A 34 12.206 22.444 0.732 1.00 0.00 N ATOM 0 H ARG A 34 6.537 16.811 -3.211 1.00 0.00 H new ATOM 0 HA ARG A 34 9.296 17.802 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.993 19.588 -2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.386 18.447 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.465 18.256 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.363 18.824 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.966 21.051 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.760 20.414 0.442 1.00 0.00 H new ATOM 0 HE ARG A 34 11.531 20.246 -0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.010 22.639 0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.144 23.844 1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.982 21.800 0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.382 23.371 1.119 1.00 0.00 H new ATOM 489 N ALA A 35 10.133 15.936 -2.119 1.00 0.00 N ATOM 490 CA ALA A 35 10.621 14.746 -1.434 1.00 0.00 C ATOM 491 C ALA A 35 10.706 14.974 0.071 1.00 0.00 C ATOM 492 O ALA A 35 10.336 16.037 0.569 1.00 0.00 O ATOM 493 CB ALA A 35 11.979 14.338 -1.986 1.00 0.00 C ATOM 0 H ALA A 35 10.857 16.475 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 35 9.911 13.938 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.331 13.448 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.889 14.123 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.691 15.150 -1.838 1.00 0.00 H new ATOM 534 N VAL A 39 3.743 10.817 4.583 1.00 0.00 N ATOM 535 CA VAL A 39 2.413 10.545 4.051 1.00 0.00 C ATOM 536 C VAL A 39 1.491 9.993 5.133 1.00 0.00 C ATOM 537 O VAL A 39 1.952 9.492 6.160 1.00 0.00 O ATOM 538 CB VAL A 39 2.470 9.545 2.881 1.00 0.00 C ATOM 539 CG1 VAL A 39 2.861 8.162 3.378 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.135 9.501 2.153 1.00 0.00 C ATOM 0 HA VAL A 39 2.017 11.494 3.689 1.00 0.00 H new ATOM 0 HB VAL A 39 3.232 9.880 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.896 7.470 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.842 8.209 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.125 7.815 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.193 8.789 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.353 9.191 2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.901 10.491 1.761 1.00 0.00 H new ATOM 550 N HIS A 40 0.187 10.086 4.895 1.00 0.00 N ATOM 551 CA HIS A 40 -0.801 9.594 5.849 1.00 0.00 C ATOM 552 C HIS A 40 -1.623 8.460 5.244 1.00 0.00 C ATOM 553 O HIS A 40 -2.521 8.695 4.436 1.00 0.00 O ATOM 554 CB HIS A 40 -1.725 10.730 6.290 1.00 0.00 C ATOM 555 CG HIS A 40 -2.250 10.568 7.683 1.00 0.00 C ATOM 556 ND1 HIS A 40 -3.234 11.375 8.215 1.00 0.00 N ATOM 557 CD2 HIS A 40 -1.925 9.683 8.655 1.00 0.00 C ATOM 558 CE1 HIS A 40 -3.490 10.995 9.454 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.709 9.970 9.745 1.00 0.00 N ATOM 0 H HIS A 40 -0.210 10.497 4.050 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.269 9.209 6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.185 11.674 6.222 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.565 10.793 5.599 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.187 8.898 8.586 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -4.214 11.446 10.116 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -2.691 9.472 10.635 1.00 0.00 H new ATOM 568 N TRP A 41 -1.309 7.232 5.641 1.00 0.00 N ATOM 569 CA TRP A 41 -2.018 6.062 5.136 1.00 0.00 C ATOM 570 C TRP A 41 -3.271 5.787 5.961 1.00 0.00 C ATOM 571 O TRP A 41 -3.189 5.294 7.087 1.00 0.00 O ATOM 572 CB TRP A 41 -1.102 4.837 5.155 1.00 0.00 C ATOM 573 CG TRP A 41 0.095 4.978 4.264 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.356 5.348 4.637 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.143 4.753 2.851 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.184 5.366 3.541 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.465 5.004 2.434 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.801 4.361 1.898 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.863 4.877 1.105 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.405 4.236 0.580 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.917 4.492 0.194 1.00 0.00 C ATOM 0 H TRP A 41 -0.569 7.021 6.310 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.319 6.266 4.108 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.767 4.658 6.177 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.673 3.960 4.849 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.658 5.591 5.645 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.174 5.610 3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.822 4.159 2.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.881 5.075 0.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.127 3.936 -0.165 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.195 4.383 -0.844 1.00 0.00 H new ATOM 592 N LEU A 42 -4.429 6.109 5.395 1.00 0.00 N ATOM 593 CA LEU A 42 -5.700 5.896 6.079 1.00 0.00 C ATOM 594 C LEU A 42 -6.436 4.693 5.499 1.00 0.00 C ATOM 595 O LEU A 42 -6.719 4.643 4.302 1.00 0.00 O ATOM 596 CB LEU A 42 -6.576 7.146 5.970 1.00 0.00 C ATOM 597 CG LEU A 42 -5.948 8.451 6.461 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.505 9.635 5.687 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.183 8.627 7.954 1.00 0.00 C ATOM 0 H LEU A 42 -4.514 6.518 4.465 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.490 5.697 7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.863 7.274 4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.493 6.973 6.533 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.873 8.404 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.047 10.555 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.284 9.513 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.585 9.687 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.729 9.561 8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.254 8.653 8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.734 7.793 8.494 1.00 0.00 H new ATOM 611 N LYS A 43 -6.745 3.726 6.356 1.00 0.00 N ATOM 612 CA LYS A 43 -7.452 2.523 5.930 1.00 0.00 C ATOM 613 C LYS A 43 -8.896 2.538 6.422 1.00 0.00 C ATOM 614 O LYS A 43 -9.177 2.175 7.564 1.00 0.00 O ATOM 615 CB LYS A 43 -6.737 1.275 6.453 1.00 0.00 C ATOM 616 CG LYS A 43 -7.012 0.028 5.631 1.00 0.00 C ATOM 617 CD LYS A 43 -6.796 -1.236 6.446 1.00 0.00 C ATOM 618 CE LYS A 43 -7.282 -2.470 5.701 1.00 0.00 C ATOM 619 NZ LYS A 43 -8.752 -2.659 5.840 1.00 0.00 N ATOM 0 H LYS A 43 -6.517 3.751 7.350 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.458 2.501 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.663 1.461 6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.044 1.096 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.037 0.053 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.359 0.015 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.736 -1.344 6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.324 -1.152 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.026 -2.381 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.765 -3.351 6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.043 -3.510 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.994 -2.769 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.247 -1.830 5.454 1.00 0.00 H new ATOM 633 N ASP A 44 -9.808 2.959 5.552 1.00 0.00 N ATOM 634 CA ASP A 44 -11.223 3.019 5.897 1.00 0.00 C ATOM 635 C ASP A 44 -11.472 4.049 6.994 1.00 0.00 C ATOM 636 O ASP A 44 -12.158 3.770 7.977 1.00 0.00 O ATOM 637 CB ASP A 44 -11.718 1.644 6.350 1.00 0.00 C ATOM 638 CG ASP A 44 -11.481 0.571 5.305 1.00 0.00 C ATOM 639 OD1 ASP A 44 -10.503 0.694 4.539 1.00 0.00 O ATOM 640 OD2 ASP A 44 -12.275 -0.392 5.253 1.00 0.00 O ATOM 0 H ASP A 44 -9.592 3.264 4.603 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.776 3.321 5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.212 1.365 7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.783 1.700 6.574 1.00 0.00 H new ATOM 645 N ARG A 45 -10.910 5.240 6.818 1.00 0.00 N ATOM 646 CA ARG A 45 -11.070 6.312 7.794 1.00 0.00 C ATOM 647 C ARG A 45 -10.371 5.962 9.105 1.00 0.00 C ATOM 648 O ARG A 45 -10.808 6.368 10.182 1.00 0.00 O ATOM 649 CB ARG A 45 -12.554 6.580 8.050 1.00 0.00 C ATOM 650 CG ARG A 45 -13.355 6.832 6.783 1.00 0.00 C ATOM 651 CD ARG A 45 -13.380 8.310 6.425 1.00 0.00 C ATOM 652 NE ARG A 45 -14.292 9.065 7.279 1.00 0.00 N ATOM 653 CZ ARG A 45 -14.759 10.270 6.970 1.00 0.00 C ATOM 654 NH1 ARG A 45 -14.402 10.852 5.834 1.00 0.00 N ATOM 655 NH2 ARG A 45 -15.586 10.894 7.800 1.00 0.00 N ATOM 0 H ARG A 45 -10.340 5.487 6.009 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.611 7.213 7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.983 5.728 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.650 7.443 8.708 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.923 6.264 5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.375 6.472 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.375 8.722 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.680 8.426 5.383 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.587 8.645 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.767 10.375 5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.762 11.777 5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.863 10.448 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.945 11.819 7.563 1.00 0.00 H new ATOM 669 N LYS A 46 -9.284 5.205 9.006 1.00 0.00 N ATOM 670 CA LYS A 46 -8.523 4.799 10.182 1.00 0.00 C ATOM 671 C LYS A 46 -7.024 4.909 9.925 1.00 0.00 C ATOM 672 O LYS A 46 -6.472 4.183 9.098 1.00 0.00 O ATOM 673 CB LYS A 46 -8.880 3.364 10.576 1.00 0.00 C ATOM 674 CG LYS A 46 -10.090 3.268 11.490 1.00 0.00 C ATOM 675 CD LYS A 46 -9.777 3.782 12.885 1.00 0.00 C ATOM 676 CE LYS A 46 -9.258 2.671 13.785 1.00 0.00 C ATOM 677 NZ LYS A 46 -8.460 3.207 14.923 1.00 0.00 N ATOM 0 H LYS A 46 -8.910 4.860 8.122 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.783 5.469 11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.071 2.785 9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.023 2.908 11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.914 3.842 11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.421 2.231 11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.035 4.578 12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.675 4.217 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.098 2.094 14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.643 1.987 13.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.124 2.419 15.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.644 3.737 14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.054 3.840 15.496 1.00 0.00 H new ATOM 691 N ALA A 47 -6.371 5.820 10.639 1.00 0.00 N ATOM 692 CA ALA A 47 -4.935 6.022 10.490 1.00 0.00 C ATOM 693 C ALA A 47 -4.176 4.710 10.660 1.00 0.00 C ATOM 694 O ALA A 47 -4.269 4.058 11.700 1.00 0.00 O ATOM 695 CB ALA A 47 -4.440 7.054 11.493 1.00 0.00 C ATOM 0 H ALA A 47 -6.814 6.430 11.326 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.748 6.392 9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.366 7.195 11.370 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.952 8.001 11.323 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.647 6.706 12.505 1.00 0.00 H new ATOM 701 N ILE A 48 -3.426 4.328 9.631 1.00 0.00 N ATOM 702 CA ILE A 48 -2.651 3.094 9.668 1.00 0.00 C ATOM 703 C ILE A 48 -1.332 3.295 10.405 1.00 0.00 C ATOM 704 O ILE A 48 -0.709 4.353 10.306 1.00 0.00 O ATOM 705 CB ILE A 48 -2.359 2.571 8.249 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.656 2.461 7.445 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.655 1.224 8.316 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.434 2.178 5.976 1.00 0.00 C ATOM 0 H ILE A 48 -3.339 4.855 8.762 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.253 2.359 10.201 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.701 3.279 7.745 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.272 1.668 7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.217 3.390 7.547 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.455 0.867 7.306 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.714 1.332 8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.291 0.507 8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.396 2.113 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.845 2.982 5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.900 1.234 5.864 1.00 0.00 H new ATOM 720 N ARG A 49 -0.911 2.273 11.143 1.00 0.00 N ATOM 721 CA ARG A 49 0.336 2.337 11.897 1.00 0.00 C ATOM 722 C ARG A 49 1.395 1.434 11.273 1.00 0.00 C ATOM 723 O ARG A 49 1.127 0.279 10.944 1.00 0.00 O ATOM 724 CB ARG A 49 0.097 1.932 13.352 1.00 0.00 C ATOM 725 CG ARG A 49 -0.995 2.736 14.038 1.00 0.00 C ATOM 726 CD ARG A 49 -2.374 2.168 13.742 1.00 0.00 C ATOM 727 NE ARG A 49 -3.324 2.449 14.815 1.00 0.00 N ATOM 728 CZ ARG A 49 -3.797 3.662 15.079 1.00 0.00 C ATOM 729 NH1 ARG A 49 -3.412 4.700 14.350 1.00 0.00 N ATOM 730 NH2 ARG A 49 -4.659 3.838 16.073 1.00 0.00 N ATOM 0 H ARG A 49 -1.415 1.391 11.235 1.00 0.00 H new ATOM 0 HA ARG A 49 0.698 3.365 11.868 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.166 0.875 13.387 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.026 2.048 13.910 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.825 2.739 15.115 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.948 3.773 13.705 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.747 2.589 12.808 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.299 1.090 13.598 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.642 1.671 15.393 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.751 4.568 13.584 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.777 5.630 14.555 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.959 3.041 16.635 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.021 4.770 16.275 1.00 0.00 H new ATOM 744 N LYS A 50 2.601 1.969 11.112 1.00 0.00 N ATOM 745 CA LYS A 50 3.703 1.213 10.528 1.00 0.00 C ATOM 746 C LYS A 50 3.961 -0.067 11.316 1.00 0.00 C ATOM 747 O LYS A 50 4.303 -0.022 12.498 1.00 0.00 O ATOM 748 CB LYS A 50 4.972 2.068 10.492 1.00 0.00 C ATOM 749 CG LYS A 50 6.079 1.475 9.638 1.00 0.00 C ATOM 750 CD LYS A 50 7.294 2.387 9.589 1.00 0.00 C ATOM 751 CE LYS A 50 8.074 2.347 10.894 1.00 0.00 C ATOM 752 NZ LYS A 50 9.471 2.832 10.720 1.00 0.00 N ATOM 0 H LYS A 50 2.840 2.924 11.378 1.00 0.00 H new ATOM 0 HA LYS A 50 3.426 0.942 9.509 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.722 3.059 10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.340 2.200 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.368 0.503 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.709 1.306 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.943 2.086 8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.975 3.409 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.567 2.960 11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.089 1.327 11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.969 2.789 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.963 2.232 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.457 3.814 10.379 1.00 0.00 H new ATOM 766 N SER A 51 3.797 -1.208 10.654 1.00 0.00 N ATOM 767 CA SER A 51 4.011 -2.501 11.293 1.00 0.00 C ATOM 768 C SER A 51 4.412 -3.555 10.266 1.00 0.00 C ATOM 769 O SER A 51 4.222 -3.369 9.064 1.00 0.00 O ATOM 770 CB SER A 51 2.746 -2.945 12.029 1.00 0.00 C ATOM 771 OG SER A 51 2.699 -2.401 13.337 1.00 0.00 O ATOM 0 H SER A 51 3.516 -1.263 9.675 1.00 0.00 H new ATOM 0 HA SER A 51 4.823 -2.393 12.013 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.866 -2.629 11.469 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.716 -4.033 12.083 1.00 0.00 H new ATOM 0 HG SER A 51 3.239 -1.584 13.371 1.00 0.00 H new ATOM 777 N GLN A 52 4.968 -4.661 10.749 1.00 0.00 N ATOM 778 CA GLN A 52 5.397 -5.745 9.873 1.00 0.00 C ATOM 779 C GLN A 52 4.462 -5.880 8.676 1.00 0.00 C ATOM 780 O GLN A 52 4.908 -6.074 7.545 1.00 0.00 O ATOM 781 CB GLN A 52 5.448 -7.064 10.647 1.00 0.00 C ATOM 782 CG GLN A 52 6.565 -7.122 11.677 1.00 0.00 C ATOM 783 CD GLN A 52 7.890 -7.550 11.078 1.00 0.00 C ATOM 784 OE1 GLN A 52 7.984 -7.823 9.881 1.00 0.00 O ATOM 785 NE2 GLN A 52 8.923 -7.612 11.909 1.00 0.00 N ATOM 0 H GLN A 52 5.132 -4.830 11.741 1.00 0.00 H new ATOM 0 HA GLN A 52 6.396 -5.508 9.506 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.493 -7.218 11.150 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.573 -7.885 9.941 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.679 -6.141 12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.288 -7.817 12.469 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.800 -7.377 12.894 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.840 -7.895 11.563 1.00 0.00 H new ATOM 794 N LYS A 53 3.162 -5.777 8.932 1.00 0.00 N ATOM 795 CA LYS A 53 2.163 -5.887 7.877 1.00 0.00 C ATOM 796 C LYS A 53 2.242 -4.696 6.926 1.00 0.00 C ATOM 797 O LYS A 53 2.381 -4.865 5.715 1.00 0.00 O ATOM 798 CB LYS A 53 0.760 -5.977 8.482 1.00 0.00 C ATOM 799 CG LYS A 53 -0.354 -5.854 7.456 1.00 0.00 C ATOM 800 CD LYS A 53 -0.335 -7.010 6.470 1.00 0.00 C ATOM 801 CE LYS A 53 -0.894 -8.281 7.091 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.372 -8.369 6.938 1.00 0.00 N ATOM 0 H LYS A 53 2.776 -5.617 9.863 1.00 0.00 H new ATOM 0 HA LYS A 53 2.367 -6.796 7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.659 -6.929 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.644 -5.191 9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.317 -5.825 7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.250 -4.913 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.919 -6.747 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.687 -7.187 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.428 -9.149 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.636 -8.312 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.714 -9.249 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.819 -7.554 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.617 -8.365 5.927 1.00 0.00 H new ATOM 816 N TYR A 54 2.155 -3.494 7.483 1.00 0.00 N ATOM 817 CA TYR A 54 2.216 -2.275 6.685 1.00 0.00 C ATOM 818 C TYR A 54 3.578 -1.601 6.823 1.00 0.00 C ATOM 819 O TYR A 54 3.876 -0.984 7.846 1.00 0.00 O ATOM 820 CB TYR A 54 1.110 -1.307 7.108 1.00 0.00 C ATOM 821 CG TYR A 54 -0.273 -1.917 7.079 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.767 -2.512 5.924 1.00 0.00 C ATOM 823 CD2 TYR A 54 -1.086 -1.900 8.206 1.00 0.00 C ATOM 824 CE1 TYR A 54 -2.030 -3.070 5.892 1.00 0.00 C ATOM 825 CE2 TYR A 54 -2.350 -2.457 8.183 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.818 -3.040 7.024 1.00 0.00 C ATOM 827 OH TYR A 54 -4.076 -3.596 6.997 1.00 0.00 O ATOM 0 H TYR A 54 2.042 -3.337 8.484 1.00 0.00 H new ATOM 0 HA TYR A 54 2.070 -2.548 5.640 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.319 -0.948 8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.128 -0.438 6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.153 -2.538 5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.723 -1.444 9.115 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.399 -3.527 4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.969 -2.436 9.068 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.499 -3.492 7.875 1.00 0.00 H new ATOM 837 N ASP A 55 4.399 -1.725 5.787 1.00 0.00 N ATOM 838 CA ASP A 55 5.729 -1.127 5.790 1.00 0.00 C ATOM 839 C ASP A 55 5.732 0.196 5.030 1.00 0.00 C ATOM 840 O ASP A 55 5.541 0.226 3.814 1.00 0.00 O ATOM 841 CB ASP A 55 6.745 -2.088 5.170 1.00 0.00 C ATOM 842 CG ASP A 55 6.851 -3.391 5.937 1.00 0.00 C ATOM 843 OD1 ASP A 55 5.830 -3.829 6.506 1.00 0.00 O ATOM 844 OD2 ASP A 55 7.956 -3.974 5.967 1.00 0.00 O ATOM 0 H ASP A 55 4.167 -2.234 4.934 1.00 0.00 H new ATOM 0 HA ASP A 55 6.010 -0.931 6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.460 -2.299 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.723 -1.608 5.138 1.00 0.00 H new ATOM 849 N VAL A 56 5.949 1.289 5.755 1.00 0.00 N ATOM 850 CA VAL A 56 5.977 2.615 5.149 1.00 0.00 C ATOM 851 C VAL A 56 7.312 2.877 4.462 1.00 0.00 C ATOM 852 O VAL A 56 8.341 3.033 5.120 1.00 0.00 O ATOM 853 CB VAL A 56 5.725 3.716 6.197 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.535 5.064 5.519 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.520 3.367 7.057 1.00 0.00 C ATOM 0 H VAL A 56 6.108 1.282 6.763 1.00 0.00 H new ATOM 0 HA VAL A 56 5.179 2.641 4.407 1.00 0.00 H new ATOM 0 HB VAL A 56 6.598 3.783 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.358 5.830 6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.431 5.315 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.680 5.015 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.357 4.155 7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.637 3.272 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.701 2.423 7.572 1.00 0.00 H new ATOM 865 N VAL A 57 7.288 2.927 3.134 1.00 0.00 N ATOM 866 CA VAL A 57 8.497 3.172 2.356 1.00 0.00 C ATOM 867 C VAL A 57 8.445 4.536 1.676 1.00 0.00 C ATOM 868 O VAL A 57 7.388 4.976 1.224 1.00 0.00 O ATOM 869 CB VAL A 57 8.706 2.085 1.286 1.00 0.00 C ATOM 870 CG1 VAL A 57 9.989 2.340 0.509 1.00 0.00 C ATOM 871 CG2 VAL A 57 8.726 0.705 1.926 1.00 0.00 C ATOM 0 H VAL A 57 6.445 2.801 2.574 1.00 0.00 H new ATOM 0 HA VAL A 57 9.333 3.149 3.055 1.00 0.00 H new ATOM 0 HB VAL A 57 7.872 2.124 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.120 1.562 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.930 3.312 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.837 2.330 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.875 -0.051 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.540 0.651 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.778 0.525 2.433 1.00 0.00 H new ATOM 914 N THR A 61 10.388 11.426 -3.147 1.00 0.00 N ATOM 915 CA THR A 61 9.033 11.657 -3.631 1.00 0.00 C ATOM 916 C THR A 61 8.394 10.361 -4.117 1.00 0.00 C ATOM 917 O THR A 61 7.637 10.356 -5.087 1.00 0.00 O ATOM 918 CB THR A 61 9.013 12.686 -4.778 1.00 0.00 C ATOM 919 OG1 THR A 61 9.739 12.179 -5.903 1.00 0.00 O ATOM 920 CG2 THR A 61 9.621 14.006 -4.329 1.00 0.00 C ATOM 0 HA THR A 61 8.461 12.049 -2.790 1.00 0.00 H new ATOM 0 HB THR A 61 7.976 12.860 -5.064 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.435 11.563 -5.592 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.596 14.717 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.049 14.403 -3.490 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.654 13.844 -4.020 1.00 0.00 H new ATOM 928 N MET A 62 8.703 9.263 -3.435 1.00 0.00 N ATOM 929 CA MET A 62 8.156 7.960 -3.796 1.00 0.00 C ATOM 930 C MET A 62 7.672 7.211 -2.559 1.00 0.00 C ATOM 931 O MET A 62 8.427 6.459 -1.943 1.00 0.00 O ATOM 932 CB MET A 62 9.208 7.127 -4.531 1.00 0.00 C ATOM 933 CG MET A 62 8.627 5.945 -5.290 1.00 0.00 C ATOM 934 SD MET A 62 7.963 4.676 -4.194 1.00 0.00 S ATOM 935 CE MET A 62 9.471 4.023 -3.481 1.00 0.00 C ATOM 0 H MET A 62 9.329 9.249 -2.630 1.00 0.00 H new ATOM 0 HA MET A 62 7.304 8.123 -4.457 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.744 7.769 -5.230 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.939 6.761 -3.810 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.837 6.297 -5.953 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.401 5.507 -5.920 1.00 0.00 H new ATOM 0 HE1 MET A 62 9.529 2.951 -3.670 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.331 4.518 -3.932 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.472 4.202 -2.406 1.00 0.00 H new ATOM 945 N ALA A 63 6.410 7.422 -2.201 1.00 0.00 N ATOM 946 CA ALA A 63 5.826 6.765 -1.038 1.00 0.00 C ATOM 947 C ALA A 63 5.171 5.443 -1.425 1.00 0.00 C ATOM 948 O ALA A 63 4.265 5.409 -2.256 1.00 0.00 O ATOM 949 CB ALA A 63 4.812 7.682 -0.368 1.00 0.00 C ATOM 0 H ALA A 63 5.772 8.043 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 63 6.628 6.550 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.384 7.179 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.307 8.599 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.019 7.925 -1.075 1.00 0.00 H new ATOM 955 N MET A 64 5.638 4.357 -0.817 1.00 0.00 N ATOM 956 CA MET A 64 5.097 3.033 -1.099 1.00 0.00 C ATOM 957 C MET A 64 4.675 2.333 0.189 1.00 0.00 C ATOM 958 O MET A 64 5.412 2.328 1.176 1.00 0.00 O ATOM 959 CB MET A 64 6.131 2.183 -1.839 1.00 0.00 C ATOM 960 CG MET A 64 5.556 0.907 -2.433 1.00 0.00 C ATOM 961 SD MET A 64 6.779 -0.041 -3.359 1.00 0.00 S ATOM 962 CE MET A 64 8.055 -0.249 -2.120 1.00 0.00 C ATOM 0 H MET A 64 6.389 4.368 -0.127 1.00 0.00 H new ATOM 0 HA MET A 64 4.217 3.154 -1.731 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.574 2.778 -2.637 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.935 1.923 -1.151 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.153 0.288 -1.632 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.724 1.160 -3.090 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.686 -1.097 -2.387 1.00 0.00 H new ATOM 0 HE2 MET A 64 8.663 0.654 -2.068 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.594 -0.432 -1.150 1.00 0.00 H new ATOM 972 N LEU A 65 3.484 1.743 0.174 1.00 0.00 N ATOM 973 CA LEU A 65 2.964 1.040 1.342 1.00 0.00 C ATOM 974 C LEU A 65 2.851 -0.457 1.070 1.00 0.00 C ATOM 975 O LEU A 65 1.948 -0.904 0.362 1.00 0.00 O ATOM 976 CB LEU A 65 1.597 1.603 1.733 1.00 0.00 C ATOM 977 CG LEU A 65 0.907 0.928 2.919 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.609 1.287 4.220 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.561 1.322 2.977 1.00 0.00 C ATOM 0 H LEU A 65 2.861 1.738 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 65 3.661 1.190 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.715 2.662 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.937 1.535 0.868 1.00 0.00 H new ATOM 0 HG LEU A 65 0.967 -0.152 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.104 0.798 5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.646 0.954 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.581 2.367 4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.036 0.832 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.643 2.403 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.057 1.013 2.057 1.00 0.00 H new ATOM 991 N VAL A 66 3.772 -1.228 1.640 1.00 0.00 N ATOM 992 CA VAL A 66 3.774 -2.675 1.462 1.00 0.00 C ATOM 993 C VAL A 66 2.780 -3.346 2.404 1.00 0.00 C ATOM 994 O VAL A 66 2.631 -2.940 3.557 1.00 0.00 O ATOM 995 CB VAL A 66 5.174 -3.268 1.704 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.260 -4.681 1.146 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.243 -2.377 1.090 1.00 0.00 C ATOM 0 H VAL A 66 4.526 -0.874 2.229 1.00 0.00 H new ATOM 0 HA VAL A 66 3.479 -2.867 0.430 1.00 0.00 H new ATOM 0 HB VAL A 66 5.348 -3.317 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.257 -5.083 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.519 -5.312 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.065 -4.661 0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.226 -2.811 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.075 -2.294 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.195 -1.387 1.543 1.00 0.00 H new ATOM 1007 N ILE A 67 2.103 -4.374 1.906 1.00 0.00 N ATOM 1008 CA ILE A 67 1.124 -5.102 2.703 1.00 0.00 C ATOM 1009 C ILE A 67 1.433 -6.595 2.725 1.00 0.00 C ATOM 1010 O ILE A 67 0.851 -7.371 1.967 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.305 -4.893 2.170 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.651 -3.403 2.145 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.306 -5.661 3.020 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.762 -3.056 1.179 1.00 0.00 C ATOM 0 H ILE A 67 2.214 -4.722 0.954 1.00 0.00 H new ATOM 0 HA ILE A 67 1.186 -4.705 3.716 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.356 -5.275 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.941 -3.089 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.241 -2.836 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.311 -5.503 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.068 -6.724 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.256 -5.307 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.953 -1.984 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.467 -3.338 0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.667 -3.596 1.457 1.00 0.00 H new ATOM 1026 N ARG A 68 2.352 -6.991 3.599 1.00 0.00 N ATOM 1027 CA ARG A 68 2.739 -8.392 3.720 1.00 0.00 C ATOM 1028 C ARG A 68 1.509 -9.294 3.758 1.00 0.00 C ATOM 1029 O ARG A 68 0.579 -9.061 4.529 1.00 0.00 O ATOM 1030 CB ARG A 68 3.579 -8.604 4.980 1.00 0.00 C ATOM 1031 CG ARG A 68 5.068 -8.383 4.764 1.00 0.00 C ATOM 1032 CD ARG A 68 5.374 -6.927 4.448 1.00 0.00 C ATOM 1033 NE ARG A 68 6.797 -6.627 4.578 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.715 -7.022 3.702 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.359 -7.730 2.639 1.00 0.00 N ATOM 1036 NH2 ARG A 68 8.990 -6.709 3.889 1.00 0.00 N ATOM 0 H ARG A 68 2.843 -6.362 4.234 1.00 0.00 H new ATOM 0 HA ARG A 68 3.335 -8.655 2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.229 -7.926 5.758 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.420 -9.618 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.615 -8.686 5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.416 -9.015 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.047 -6.700 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.805 -6.283 5.118 1.00 0.00 H new ATOM 0 HE ARG A 68 7.103 -6.084 5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.379 -7.972 2.492 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.065 -8.032 1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.267 -6.165 4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.694 -7.013 3.216 1.00 0.00 H new ATOM 1050 N GLY A 69 1.511 -10.325 2.919 1.00 0.00 N ATOM 1051 CA GLY A 69 0.390 -11.246 2.872 1.00 0.00 C ATOM 1052 C GLY A 69 -0.947 -10.536 2.941 1.00 0.00 C ATOM 1053 O GLY A 69 -1.586 -10.501 3.992 1.00 0.00 O ATOM 0 H GLY A 69 2.269 -10.539 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.441 -11.829 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.467 -11.950 3.701 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.371 -9.966 1.817 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.641 -9.253 1.754 1.00 0.00 C ATOM 1059 C ALA A 70 -3.812 -10.225 1.658 1.00 0.00 C ATOM 1060 O ALA A 70 -4.087 -10.777 0.592 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.650 -8.294 0.573 1.00 0.00 C ATOM 0 H ALA A 70 -0.853 -9.984 0.938 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.753 -8.680 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.604 -7.768 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.842 -7.571 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.510 -8.854 -0.352 1.00 0.00 H new ATOM 1067 N SER A 71 -4.498 -10.431 2.777 1.00 0.00 N ATOM 1068 CA SER A 71 -5.637 -11.341 2.820 1.00 0.00 C ATOM 1069 C SER A 71 -6.911 -10.637 2.364 1.00 0.00 C ATOM 1070 O SER A 71 -6.992 -9.408 2.369 1.00 0.00 O ATOM 1071 CB SER A 71 -5.823 -11.893 4.234 1.00 0.00 C ATOM 1072 OG SER A 71 -4.870 -12.903 4.518 1.00 0.00 O ATOM 0 H SER A 71 -4.285 -9.980 3.667 1.00 0.00 H new ATOM 0 HA SER A 71 -5.436 -12.168 2.139 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.727 -11.084 4.959 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.829 -12.298 4.340 1.00 0.00 H new ATOM 0 HG SER A 71 -5.010 -13.238 5.428 1.00 0.00 H new ATOM 1078 N LEU A 72 -7.906 -11.425 1.970 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.178 -10.879 1.510 1.00 0.00 C ATOM 1080 C LEU A 72 -9.596 -9.684 2.360 1.00 0.00 C ATOM 1081 O LEU A 72 -10.221 -8.745 1.866 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.263 -11.956 1.554 1.00 0.00 C ATOM 1083 CG LEU A 72 -9.969 -13.238 0.775 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -10.885 -14.363 1.232 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -10.120 -12.999 -0.721 1.00 0.00 C ATOM 0 H LEU A 72 -7.856 -12.444 1.960 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.051 -10.543 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.442 -12.221 2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.189 -11.526 1.171 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.939 -13.533 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.661 -15.267 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.728 -14.551 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.923 -14.078 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.907 -13.922 -1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.139 -12.679 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.422 -12.224 -1.038 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.246 -9.724 3.641 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.581 -8.643 4.561 1.00 0.00 C ATOM 1099 C LYS A 73 -8.805 -7.376 4.217 1.00 0.00 C ATOM 1100 O LYS A 73 -9.390 -6.305 4.048 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.283 -9.061 6.002 1.00 0.00 C ATOM 1102 CG LYS A 73 -9.704 -8.030 7.034 1.00 0.00 C ATOM 1103 CD LYS A 73 -11.199 -8.087 7.302 1.00 0.00 C ATOM 1104 CE LYS A 73 -11.683 -6.844 8.033 1.00 0.00 C ATOM 1105 NZ LYS A 73 -13.113 -6.957 8.432 1.00 0.00 N ATOM 0 H LYS A 73 -8.730 -10.494 4.066 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.646 -8.433 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.793 -10.001 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.214 -9.249 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.160 -8.201 7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.434 -7.033 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.735 -8.187 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.430 -8.972 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.070 -6.683 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.553 -5.972 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.405 -6.090 8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.701 -7.086 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.234 -7.774 9.064 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.487 -7.504 4.113 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.632 -6.369 3.787 1.00 0.00 C ATOM 1121 C ASP A 74 -7.292 -5.473 2.744 1.00 0.00 C ATOM 1122 O ASP A 74 -7.088 -4.259 2.736 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.276 -6.857 3.273 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.153 -5.892 3.597 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -3.565 -6.012 4.693 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.861 -5.017 2.756 1.00 0.00 O ATOM 0 H ASP A 74 -6.987 -8.383 4.250 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.480 -5.787 4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.053 -7.830 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.329 -6.999 2.194 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.085 -6.079 1.866 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.776 -5.336 0.820 1.00 0.00 C ATOM 1133 C ALA A 75 -9.600 -4.197 1.410 1.00 0.00 C ATOM 1134 O ALA A 75 -10.521 -4.425 2.193 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.664 -6.268 0.009 1.00 0.00 C ATOM 0 H ALA A 75 -8.265 -7.083 1.859 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.025 -4.902 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.174 -5.699 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.053 -7.044 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.403 -6.729 0.665 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.263 -2.968 1.028 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.982 -1.812 1.530 1.00 0.00 C ATOM 1143 C GLY A 76 -9.693 -0.557 0.730 1.00 0.00 C ATOM 1144 O GLY A 76 -9.529 -0.615 -0.488 1.00 0.00 O ATOM 0 H GLY A 76 -8.505 -2.753 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.053 -2.016 1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.712 -1.645 2.573 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.632 0.580 1.416 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.363 1.854 0.759 1.00 0.00 C ATOM 1150 C GLU A 77 -8.183 2.565 1.415 1.00 0.00 C ATOM 1151 O GLU A 77 -8.213 2.872 2.607 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.603 2.749 0.807 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.337 4.181 0.374 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.420 5.139 0.829 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -12.463 5.224 0.147 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -11.225 5.803 1.868 1.00 0.00 O ATOM 0 H GLU A 77 -9.765 0.645 2.425 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.110 1.652 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.374 2.322 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.999 2.753 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.377 4.506 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.257 4.219 -0.712 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.144 2.824 0.628 1.00 0.00 N ATOM 1164 CA TYR A 78 -5.953 3.496 1.132 1.00 0.00 C ATOM 1165 C TYR A 78 -5.921 4.955 0.687 1.00 0.00 C ATOM 1166 O TYR A 78 -5.768 5.253 -0.498 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.693 2.776 0.648 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.609 1.335 1.095 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -5.165 0.316 0.332 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.972 0.991 2.282 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.092 -1.003 0.738 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -3.892 -0.325 2.694 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.454 -1.318 1.920 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.377 -2.630 2.326 1.00 0.00 O ATOM 0 H TYR A 78 -7.103 2.579 -0.361 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.984 3.468 2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.660 2.812 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.816 3.312 1.012 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.663 0.559 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.532 1.766 2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.532 -1.783 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.392 -0.575 3.618 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.281 -3.000 2.410 1.00 0.00 H new ATOM 1184 N THR A 79 -6.067 5.863 1.647 1.00 0.00 N ATOM 1185 CA THR A 79 -6.056 7.291 1.356 1.00 0.00 C ATOM 1186 C THR A 79 -4.773 7.944 1.858 1.00 0.00 C ATOM 1187 O THR A 79 -4.581 8.113 3.062 1.00 0.00 O ATOM 1188 CB THR A 79 -7.264 8.003 1.994 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.477 7.558 1.376 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.141 9.512 1.850 1.00 0.00 C ATOM 0 H THR A 79 -6.194 5.634 2.633 1.00 0.00 H new ATOM 0 HA THR A 79 -6.113 7.394 0.272 1.00 0.00 H new ATOM 0 HB THR A 79 -7.284 7.755 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.240 8.014 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.005 9.993 2.308 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.232 9.852 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.098 9.774 0.793 1.00 0.00 H new ATOM 1198 N CYS A 80 -3.899 8.311 0.927 1.00 0.00 N ATOM 1199 CA CYS A 80 -2.634 8.947 1.275 1.00 0.00 C ATOM 1200 C CYS A 80 -2.813 10.450 1.461 1.00 0.00 C ATOM 1201 O CYS A 80 -2.614 11.228 0.529 1.00 0.00 O ATOM 1202 CB CYS A 80 -1.588 8.676 0.192 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.570 7.214 0.498 1.00 0.00 S ATOM 0 H CYS A 80 -4.043 8.179 -0.074 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.290 8.522 2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.095 8.559 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.938 9.546 0.104 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.336 6.171 0.624 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.192 10.850 2.671 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.400 12.260 2.978 1.00 0.00 C ATOM 1211 C GLU A 81 -2.072 12.961 3.247 1.00 0.00 C ATOM 1212 O GLU A 81 -1.470 12.789 4.308 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.323 12.410 4.190 1.00 0.00 C ATOM 1214 CG GLU A 81 -5.047 13.745 4.242 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.483 14.118 5.645 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.957 13.224 6.377 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -5.349 15.304 6.012 1.00 0.00 O ATOM 0 H GLU A 81 -3.361 10.218 3.454 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.869 12.728 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.060 11.607 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.736 12.289 5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.393 14.524 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.921 13.705 3.592 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.619 13.751 2.279 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.362 14.478 2.410 1.00 0.00 C ATOM 1226 C VAL A 82 -0.543 15.740 3.246 1.00 0.00 C ATOM 1227 O VAL A 82 -1.637 16.023 3.732 1.00 0.00 O ATOM 1228 CB VAL A 82 0.209 14.865 1.033 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.401 16.172 0.550 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.725 14.966 1.095 1.00 0.00 C ATOM 0 H VAL A 82 -2.104 13.904 1.395 1.00 0.00 H new ATOM 0 HA VAL A 82 0.339 13.811 2.911 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.052 14.084 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.014 16.429 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.482 16.060 0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.173 16.965 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.112 15.240 0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.010 15.726 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.142 14.004 1.393 1.00 0.00 H new ATOM 1240 N GLU A 83 0.539 16.495 3.409 1.00 0.00 N ATOM 1241 CA GLU A 83 0.500 17.728 4.187 1.00 0.00 C ATOM 1242 C GLU A 83 -0.882 18.373 4.114 1.00 0.00 C ATOM 1243 O GLU A 83 -1.573 18.499 5.124 1.00 0.00 O ATOM 1244 CB GLU A 83 1.560 18.709 3.683 1.00 0.00 C ATOM 1245 CG GLU A 83 2.699 18.042 2.931 1.00 0.00 C ATOM 1246 CD GLU A 83 3.422 17.005 3.769 1.00 0.00 C ATOM 1247 OE1 GLU A 83 2.966 15.842 3.796 1.00 0.00 O ATOM 1248 OE2 GLU A 83 4.443 17.355 4.396 1.00 0.00 O ATOM 0 H GLU A 83 1.453 16.275 3.013 1.00 0.00 H new ATOM 0 HA GLU A 83 0.712 17.479 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.084 19.441 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.968 19.257 4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.307 17.568 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.410 18.802 2.607 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.275 18.781 2.912 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.573 19.411 2.706 1.00 0.00 C ATOM 1257 C ALA A 84 -3.445 18.581 1.771 1.00 0.00 C ATOM 1258 O ALA A 84 -4.640 18.407 2.010 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.395 20.818 2.155 1.00 0.00 C ATOM 0 H ALA A 84 -0.713 18.686 2.066 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.077 19.471 3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.372 21.277 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.818 21.415 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -1.867 20.772 1.203 1.00 0.00 H new ATOM 1265 N SER A 85 -2.840 18.070 0.703 1.00 0.00 N ATOM 1266 CA SER A 85 -3.562 17.261 -0.272 1.00 0.00 C ATOM 1267 C SER A 85 -3.792 15.849 0.258 1.00 0.00 C ATOM 1268 O SER A 85 -3.373 15.512 1.366 1.00 0.00 O ATOM 1269 CB SER A 85 -2.790 17.204 -1.591 1.00 0.00 C ATOM 1270 OG SER A 85 -3.667 17.007 -2.687 1.00 0.00 O ATOM 0 H SER A 85 -1.851 18.202 0.491 1.00 0.00 H new ATOM 0 HA SER A 85 -4.532 17.727 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.232 18.130 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.061 16.395 -1.555 1.00 0.00 H new ATOM 0 HG SER A 85 -3.149 16.976 -3.519 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.463 15.026 -0.541 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.749 13.649 -0.156 1.00 0.00 C ATOM 1278 C LYS A 86 -5.272 12.849 -1.345 1.00 0.00 C ATOM 1279 O LYS A 86 -5.955 13.388 -2.216 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.772 13.619 0.982 1.00 0.00 C ATOM 1281 CG LYS A 86 -7.192 13.915 0.532 1.00 0.00 C ATOM 1282 CD LYS A 86 -8.212 13.186 1.389 1.00 0.00 C ATOM 1283 CE LYS A 86 -9.635 13.571 1.012 1.00 0.00 C ATOM 1284 NZ LYS A 86 -10.635 12.628 1.583 1.00 0.00 N ATOM 0 H LYS A 86 -4.819 15.289 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.820 13.193 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.747 12.638 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.481 14.346 1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.374 14.989 0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.313 13.619 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.083 12.110 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.038 13.417 2.440 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.844 14.580 1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.731 13.588 -0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.592 12.925 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.452 11.669 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.561 12.630 2.620 1.00 0.00 H new ATOM 1298 N SER A 87 -4.948 11.561 -1.374 1.00 0.00 N ATOM 1299 CA SER A 87 -5.383 10.687 -2.458 1.00 0.00 C ATOM 1300 C SER A 87 -6.313 9.596 -1.936 1.00 0.00 C ATOM 1301 O SER A 87 -6.676 9.583 -0.759 1.00 0.00 O ATOM 1302 CB SER A 87 -4.173 10.055 -3.148 1.00 0.00 C ATOM 1303 OG SER A 87 -4.575 9.238 -4.235 1.00 0.00 O ATOM 0 H SER A 87 -4.386 11.099 -0.659 1.00 0.00 H new ATOM 0 HA SER A 87 -5.930 11.291 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.504 10.838 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.611 9.459 -2.429 1.00 0.00 H new ATOM 0 HG SER A 87 -3.875 9.238 -4.921 1.00 0.00 H new ATOM 1309 N THR A 88 -6.696 8.681 -2.820 1.00 0.00 N ATOM 1310 CA THR A 88 -7.584 7.586 -2.451 1.00 0.00 C ATOM 1311 C THR A 88 -7.484 6.436 -3.447 1.00 0.00 C ATOM 1312 O THR A 88 -7.451 6.653 -4.658 1.00 0.00 O ATOM 1313 CB THR A 88 -9.050 8.054 -2.371 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.137 9.263 -1.609 1.00 0.00 O ATOM 1315 CG2 THR A 88 -9.926 6.984 -1.737 1.00 0.00 C ATOM 0 H THR A 88 -6.405 8.676 -3.798 1.00 0.00 H new ATOM 0 HA THR A 88 -7.266 7.240 -1.468 1.00 0.00 H new ATOM 0 HB THR A 88 -9.406 8.238 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.406 9.292 -0.957 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.956 7.337 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.880 6.074 -2.336 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.570 6.773 -0.729 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.435 5.213 -2.929 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.341 4.029 -3.774 1.00 0.00 C ATOM 1325 C ALA A 89 -8.110 2.860 -3.168 1.00 0.00 C ATOM 1326 O ALA A 89 -8.358 2.826 -1.963 1.00 0.00 O ATOM 1327 CB ALA A 89 -5.883 3.650 -3.990 1.00 0.00 C ATOM 0 H ALA A 89 -7.459 5.016 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.791 4.264 -4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.827 2.764 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.360 4.475 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.416 3.439 -3.028 1.00 0.00 H new ATOM 1333 N SER A 90 -8.485 1.903 -4.012 1.00 0.00 N ATOM 1334 CA SER A 90 -9.229 0.734 -3.560 1.00 0.00 C ATOM 1335 C SER A 90 -8.496 -0.552 -3.925 1.00 0.00 C ATOM 1336 O SER A 90 -8.326 -0.871 -5.103 1.00 0.00 O ATOM 1337 CB SER A 90 -10.631 0.728 -4.173 1.00 0.00 C ATOM 1338 OG SER A 90 -11.384 1.846 -3.737 1.00 0.00 O ATOM 0 H SER A 90 -8.285 1.915 -5.012 1.00 0.00 H new ATOM 0 HA SER A 90 -9.315 0.786 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.556 0.738 -5.260 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.147 -0.192 -3.898 1.00 0.00 H new ATOM 0 HG SER A 90 -12.275 1.819 -4.144 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.062 -1.288 -2.908 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.346 -2.541 -3.121 1.00 0.00 C ATOM 1346 C LEU A 91 -8.314 -3.672 -3.455 1.00 0.00 C ATOM 1347 O LEU A 91 -9.503 -3.597 -3.144 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.531 -2.903 -1.877 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.061 -4.355 -1.782 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -4.986 -4.637 -2.820 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.547 -4.659 -0.383 1.00 0.00 C ATOM 0 H LEU A 91 -8.193 -1.039 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.670 -2.405 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.655 -2.255 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.131 -2.678 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.912 -5.006 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.664 -5.675 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.388 -4.460 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.134 -3.978 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.217 -5.697 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.710 -4.001 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.346 -4.498 0.341 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.796 -4.719 -4.090 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.614 -5.867 -4.464 1.00 0.00 C ATOM 1365 C HIS A 92 -7.847 -7.170 -4.261 1.00 0.00 C ATOM 1366 O HIS A 92 -6.710 -7.310 -4.714 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.062 -5.747 -5.921 1.00 0.00 C ATOM 1368 CG HIS A 92 -9.975 -4.586 -6.173 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.291 -4.560 -5.762 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.754 -3.406 -6.798 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.840 -3.415 -6.123 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.929 -2.696 -6.754 1.00 0.00 N ATOM 0 H HIS A 92 -6.814 -4.796 -4.356 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.494 -5.880 -3.821 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.182 -5.651 -6.557 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.568 -6.667 -6.214 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.827 -3.083 -7.248 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.861 -3.117 -5.934 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.074 -1.765 -7.145 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.475 -8.121 -3.577 1.00 0.00 N ATOM 1382 CA VAL A 93 -7.851 -9.412 -3.315 1.00 0.00 C ATOM 1383 C VAL A 93 -8.860 -10.547 -3.452 1.00 0.00 C ATOM 1384 O VAL A 93 -9.971 -10.470 -2.930 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.231 -9.460 -1.906 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -8.121 -8.739 -0.905 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.991 -10.900 -1.478 1.00 0.00 C ATOM 0 H VAL A 93 -9.415 -8.022 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.062 -9.539 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.269 -8.948 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.666 -8.784 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.236 -7.697 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.099 -9.219 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.553 -10.915 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.938 -11.439 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.310 -11.380 -2.181 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.464 -11.602 -4.159 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.334 -12.753 -4.365 1.00 0.00 C ATOM 1399 C GLU A 94 -8.515 -14.020 -4.596 1.00 0.00 C ATOM 1400 O GLU A 94 -7.530 -14.008 -5.332 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.264 -12.510 -5.556 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.397 -11.543 -5.256 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.481 -11.567 -6.317 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.554 -12.563 -7.067 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.254 -10.590 -6.398 1.00 0.00 O ATOM 0 H GLU A 94 -7.547 -11.682 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.934 -12.888 -3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.679 -12.123 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.686 -13.462 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.835 -11.791 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.996 -10.533 -5.175 1.00 0.00 H new ATOM 1412 N GLU A 95 -8.931 -15.110 -3.959 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.235 -16.384 -4.093 1.00 0.00 C ATOM 1414 C GLU A 95 -8.594 -17.064 -5.411 1.00 0.00 C ATOM 1415 O GLU A 95 -9.515 -16.642 -6.110 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.581 -17.306 -2.921 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.485 -18.305 -2.589 1.00 0.00 C ATOM 1418 CD GLU A 95 -7.493 -18.715 -1.129 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -8.189 -19.696 -0.791 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -6.803 -18.055 -0.324 1.00 0.00 O ATOM 0 H GLU A 95 -9.746 -15.136 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.163 -16.185 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.786 -16.698 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.497 -17.849 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.605 -19.191 -3.212 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.516 -17.871 -2.835 1.00 0.00 H new