USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -116:sc= 0.199 (180deg=-0.715) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 27 TYR OH : rot 42:sc= 0 USER MOD Single : A 28 SER OG : rot 36:sc= 0.476 USER MOD Single : A 29 THR OG1 : rot 159:sc= -0.982 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -134:sc= -0.471! USER MOD Single : A 37 SER OG : rot 180:sc= -0.947 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 45:sc= 0.138 USER MOD Single : A 59 THR OG1 : rot -145:sc= -0.329! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= -6.04! (180deg=-9.15!) USER MOD Single : A 66 CYS SG : rot 177:sc= -5.67! USER MOD Single : A 68 ASN : amide:sc= -2.43! C(o=-2.4!,f=-6.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 70:sc= -1.84! USER MOD Single : A 75 TYR OH : rot 101:sc= 1.17 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 45:sc= 0.503 USER MOD ----------------------------------------------------------------- ATOM 102 N PHE A 13 4.112 -10.578 7.626 1.00 0.00 N ATOM 103 CA PHE A 13 4.035 -10.181 6.231 1.00 0.00 C ATOM 104 C PHE A 13 5.083 -10.917 5.393 1.00 0.00 C ATOM 105 O PHE A 13 4.755 -11.515 4.369 1.00 0.00 O ATOM 106 CB PHE A 13 4.320 -8.678 6.177 1.00 0.00 C ATOM 107 CG PHE A 13 4.725 -8.171 4.791 1.00 0.00 C ATOM 108 CD1 PHE A 13 3.772 -7.759 3.913 1.00 0.00 C ATOM 109 CD2 PHE A 13 6.038 -8.132 4.438 1.00 0.00 C ATOM 110 CE1 PHE A 13 4.148 -7.288 2.627 1.00 0.00 C ATOM 111 CE2 PHE A 13 6.414 -7.661 3.152 1.00 0.00 C ATOM 112 CZ PHE A 13 5.461 -7.249 2.274 1.00 0.00 C ATOM 0 HA PHE A 13 3.051 -10.423 5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.432 -8.138 6.505 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.115 -8.444 6.885 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.730 -7.790 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.795 -8.459 5.136 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.391 -6.961 1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.456 -7.630 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.747 -6.891 1.296 1.00 0.00 H new ATOM 122 N ARG A 14 6.321 -10.848 5.859 1.00 0.00 N ATOM 123 CA ARG A 14 7.418 -11.501 5.165 1.00 0.00 C ATOM 124 C ARG A 14 7.167 -13.007 5.073 1.00 0.00 C ATOM 125 O ARG A 14 7.604 -13.656 4.123 1.00 0.00 O ATOM 126 CB ARG A 14 8.747 -11.255 5.882 1.00 0.00 C ATOM 127 CG ARG A 14 8.653 -11.644 7.359 1.00 0.00 C ATOM 128 CD ARG A 14 10.033 -11.626 8.020 1.00 0.00 C ATOM 129 NE ARG A 14 10.122 -12.701 9.034 1.00 0.00 N ATOM 130 CZ ARG A 14 10.422 -13.986 8.750 1.00 0.00 C ATOM 131 NH1 ARG A 14 10.666 -14.368 7.479 1.00 0.00 N ATOM 132 NH2 ARG A 14 10.474 -14.864 9.735 1.00 0.00 N ATOM 0 H ARG A 14 6.589 -10.350 6.708 1.00 0.00 H new ATOM 0 HA ARG A 14 7.475 -11.077 4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.537 -11.831 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.022 -10.204 5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.988 -10.954 7.879 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.215 -12.638 7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.808 -11.761 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.209 -10.657 8.488 1.00 0.00 H new ATOM 0 HE ARG A 14 9.946 -12.455 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.624 -13.684 6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.892 -15.341 7.273 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.289 -14.567 10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.699 -15.839 9.538 1.00 0.00 H new ATOM 146 N LYS A 15 6.464 -13.520 6.072 1.00 0.00 N ATOM 147 CA LYS A 15 6.150 -14.938 6.116 1.00 0.00 C ATOM 148 C LYS A 15 5.457 -15.342 4.813 1.00 0.00 C ATOM 149 O LYS A 15 5.939 -16.217 4.095 1.00 0.00 O ATOM 150 CB LYS A 15 5.340 -15.269 7.371 1.00 0.00 C ATOM 151 CG LYS A 15 4.355 -16.408 7.104 1.00 0.00 C ATOM 152 CD LYS A 15 2.967 -15.864 6.761 1.00 0.00 C ATOM 153 CE LYS A 15 1.962 -16.186 7.869 1.00 0.00 C ATOM 154 NZ LYS A 15 0.926 -17.119 7.374 1.00 0.00 N ATOM 0 H LYS A 15 6.103 -12.979 6.858 1.00 0.00 H new ATOM 0 HA LYS A 15 7.063 -15.529 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.015 -15.549 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.797 -14.384 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.721 -17.025 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.291 -17.051 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.021 -14.785 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.626 -16.295 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.480 -16.627 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.494 -15.267 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.252 -17.327 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.421 -16.685 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.376 -18.002 7.059 1.00 0.00 H new ATOM 168 N LYS A 16 4.337 -14.687 4.547 1.00 0.00 N ATOM 169 CA LYS A 16 3.573 -14.967 3.344 1.00 0.00 C ATOM 170 C LYS A 16 4.156 -14.167 2.177 1.00 0.00 C ATOM 171 O LYS A 16 4.153 -14.632 1.038 1.00 0.00 O ATOM 172 CB LYS A 16 2.084 -14.710 3.582 1.00 0.00 C ATOM 173 CG LYS A 16 1.224 -15.536 2.623 1.00 0.00 C ATOM 174 CD LYS A 16 1.234 -17.015 3.015 1.00 0.00 C ATOM 175 CE LYS A 16 1.966 -17.855 1.966 1.00 0.00 C ATOM 176 NZ LYS A 16 1.334 -19.187 1.836 1.00 0.00 N ATOM 0 H LYS A 16 3.940 -13.962 5.145 1.00 0.00 H new ATOM 0 HA LYS A 16 3.652 -16.022 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.828 -14.960 4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.868 -13.650 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.201 -15.161 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.597 -15.423 1.605 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.718 -17.135 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.210 -17.373 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.949 -17.342 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.013 -17.968 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.843 -19.744 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.373 -19.680 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.342 -19.074 1.545 1.00 0.00 H new ATOM 190 N PHE A 17 4.642 -12.978 2.500 1.00 0.00 N ATOM 191 CA PHE A 17 5.227 -12.109 1.494 1.00 0.00 C ATOM 192 C PHE A 17 6.718 -12.403 1.315 1.00 0.00 C ATOM 193 O PHE A 17 7.487 -11.521 0.936 1.00 0.00 O ATOM 194 CB PHE A 17 5.058 -10.672 1.990 1.00 0.00 C ATOM 195 CG PHE A 17 3.618 -10.158 1.931 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.652 -10.756 2.679 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.304 -9.104 1.131 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.315 -10.279 2.624 1.00 0.00 C ATOM 199 CE2 PHE A 17 1.968 -8.627 1.077 1.00 0.00 C ATOM 200 CZ PHE A 17 1.001 -9.225 1.824 1.00 0.00 C ATOM 0 H PHE A 17 4.643 -12.596 3.446 1.00 0.00 H new ATOM 0 HA PHE A 17 4.735 -12.268 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.413 -10.610 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.692 -10.016 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.901 -11.593 3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.071 -8.630 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.548 -10.754 3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.719 -7.789 0.443 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.016 -8.863 1.782 1.00 0.00 H new ATOM 210 N LYS A 18 7.081 -13.645 1.597 1.00 0.00 N ATOM 211 CA LYS A 18 8.466 -14.066 1.472 1.00 0.00 C ATOM 212 C LYS A 18 9.103 -13.363 0.272 1.00 0.00 C ATOM 213 O LYS A 18 10.225 -13.684 -0.117 1.00 0.00 O ATOM 214 CB LYS A 18 8.559 -15.592 1.411 1.00 0.00 C ATOM 215 CG LYS A 18 9.493 -16.129 2.498 1.00 0.00 C ATOM 216 CD LYS A 18 10.955 -15.836 2.158 1.00 0.00 C ATOM 217 CE LYS A 18 11.582 -14.898 3.192 1.00 0.00 C ATOM 218 NZ LYS A 18 11.729 -13.535 2.632 1.00 0.00 N ATOM 0 H LYS A 18 6.440 -14.374 1.912 1.00 0.00 H new ATOM 0 HA LYS A 18 9.034 -13.770 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.566 -16.025 1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.922 -15.899 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.241 -15.675 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.350 -17.204 2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.517 -16.769 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.018 -15.385 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.960 -14.865 4.087 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.557 -15.280 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.738 -13.291 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.310 -13.503 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.243 -12.852 3.248 1.00 0.00 H new ATOM 232 N TYR A 19 8.359 -12.416 -0.282 1.00 0.00 N ATOM 233 CA TYR A 19 8.836 -11.665 -1.430 1.00 0.00 C ATOM 234 C TYR A 19 10.076 -10.843 -1.071 1.00 0.00 C ATOM 235 O TYR A 19 10.034 -10.015 -0.163 1.00 0.00 O ATOM 236 CB TYR A 19 7.701 -10.713 -1.812 1.00 0.00 C ATOM 237 CG TYR A 19 8.176 -9.340 -2.292 1.00 0.00 C ATOM 238 CD1 TYR A 19 9.017 -9.242 -3.381 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.763 -8.199 -1.634 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.464 -7.950 -3.832 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.210 -6.906 -2.085 1.00 0.00 C ATOM 242 CZ TYR A 19 9.038 -6.845 -3.162 1.00 0.00 C ATOM 243 OH TYR A 19 9.460 -5.625 -3.588 1.00 0.00 O ATOM 0 H TYR A 19 7.429 -12.152 0.044 1.00 0.00 H new ATOM 0 HA TYR A 19 9.109 -12.338 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.103 -11.174 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.047 -10.579 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.340 -10.135 -3.895 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.105 -8.276 -0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.123 -7.860 -4.683 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.895 -6.005 -1.579 1.00 0.00 H new ATOM 0 HH TYR A 19 9.076 -4.928 -3.016 1.00 0.00 H new ATOM 253 N ASP A 20 11.150 -11.102 -1.802 1.00 0.00 N ATOM 254 CA ASP A 20 12.400 -10.397 -1.572 1.00 0.00 C ATOM 255 C ASP A 20 12.558 -9.294 -2.620 1.00 0.00 C ATOM 256 O ASP A 20 12.985 -9.556 -3.743 1.00 0.00 O ATOM 257 CB ASP A 20 13.596 -11.342 -1.695 1.00 0.00 C ATOM 258 CG ASP A 20 13.930 -12.132 -0.428 1.00 0.00 C ATOM 259 OD1 ASP A 20 13.327 -13.214 -0.259 1.00 0.00 O ATOM 260 OD2 ASP A 20 14.780 -11.636 0.343 1.00 0.00 O ATOM 0 H ASP A 20 11.181 -11.790 -2.554 1.00 0.00 H new ATOM 0 HA ASP A 20 12.372 -9.981 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.401 -12.047 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.471 -10.760 -1.983 1.00 0.00 H new ATOM 265 N GLY A 21 12.206 -8.082 -2.215 1.00 0.00 N ATOM 266 CA GLY A 21 12.304 -6.938 -3.105 1.00 0.00 C ATOM 267 C GLY A 21 12.620 -5.661 -2.324 1.00 0.00 C ATOM 268 O GLY A 21 12.942 -5.718 -1.138 1.00 0.00 O ATOM 0 H GLY A 21 11.853 -7.868 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.082 -7.116 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.367 -6.814 -3.648 1.00 0.00 H new ATOM 272 N GLU A 22 12.517 -4.538 -3.020 1.00 0.00 N ATOM 273 CA GLU A 22 12.787 -3.249 -2.407 1.00 0.00 C ATOM 274 C GLU A 22 11.476 -2.548 -2.045 1.00 0.00 C ATOM 275 O GLU A 22 10.904 -1.831 -2.865 1.00 0.00 O ATOM 276 CB GLU A 22 13.642 -2.373 -3.325 1.00 0.00 C ATOM 277 CG GLU A 22 13.980 -1.041 -2.654 1.00 0.00 C ATOM 278 CD GLU A 22 13.979 0.102 -3.671 1.00 0.00 C ATOM 279 OE1 GLU A 22 12.890 0.369 -4.224 1.00 0.00 O ATOM 280 OE2 GLU A 22 15.067 0.682 -3.873 1.00 0.00 O ATOM 0 H GLU A 22 12.250 -4.495 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 22 13.352 -3.416 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.562 -2.899 -3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.109 -2.189 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.256 -0.832 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.958 -1.108 -2.178 1.00 0.00 H new ATOM 287 N ILE A 23 11.039 -2.779 -0.816 1.00 0.00 N ATOM 288 CA ILE A 23 9.806 -2.179 -0.335 1.00 0.00 C ATOM 289 C ILE A 23 10.003 -0.669 -0.188 1.00 0.00 C ATOM 290 O ILE A 23 10.705 -0.216 0.715 1.00 0.00 O ATOM 291 CB ILE A 23 9.341 -2.867 0.950 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.068 -3.680 0.707 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.165 -1.852 2.082 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.823 -4.669 1.849 1.00 0.00 C ATOM 0 H ILE A 23 11.517 -3.373 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 23 9.003 -2.327 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 23 10.116 -3.567 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.215 -3.008 0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.152 -4.221 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.834 -2.367 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.115 -1.355 2.276 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.420 -1.111 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.912 -5.234 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.667 -5.355 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.715 -4.123 2.786 1.00 0.00 H new ATOM 306 N ARG A 24 9.370 0.068 -1.089 1.00 0.00 N ATOM 307 CA ARG A 24 9.467 1.518 -1.071 1.00 0.00 C ATOM 308 C ARG A 24 8.239 2.140 -1.739 1.00 0.00 C ATOM 309 O ARG A 24 7.982 1.902 -2.918 1.00 0.00 O ATOM 310 CB ARG A 24 10.729 1.995 -1.794 1.00 0.00 C ATOM 311 CG ARG A 24 10.821 3.522 -1.785 1.00 0.00 C ATOM 312 CD ARG A 24 12.171 3.986 -1.234 1.00 0.00 C ATOM 313 NE ARG A 24 12.037 4.354 0.193 1.00 0.00 N ATOM 314 CZ ARG A 24 11.501 5.514 0.628 1.00 0.00 C ATOM 315 NH1 ARG A 24 11.044 6.431 -0.251 1.00 0.00 N ATOM 316 NH2 ARG A 24 11.430 5.739 1.927 1.00 0.00 N ATOM 0 H ARG A 24 8.788 -0.312 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 24 9.518 1.834 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.610 1.571 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.722 1.633 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.686 3.904 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.015 3.935 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.910 3.193 -1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.532 4.841 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 24 12.370 3.690 0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.102 6.250 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.641 7.305 0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.777 5.041 2.585 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.028 6.610 2.272 1.00 0.00 H new ATOM 330 N VAL A 25 7.514 2.926 -0.956 1.00 0.00 N ATOM 331 CA VAL A 25 6.319 3.584 -1.457 1.00 0.00 C ATOM 332 C VAL A 25 6.716 4.618 -2.512 1.00 0.00 C ATOM 333 O VAL A 25 7.148 5.719 -2.176 1.00 0.00 O ATOM 334 CB VAL A 25 5.529 4.189 -0.294 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.399 5.152 0.517 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.262 4.885 -0.796 1.00 0.00 C ATOM 0 H VAL A 25 7.731 3.122 0.021 1.00 0.00 H new ATOM 0 HA VAL A 25 5.660 2.863 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 25 5.226 3.375 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.814 5.568 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.258 4.615 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.746 5.960 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.719 5.306 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.535 5.683 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.629 4.162 -1.310 1.00 0.00 H new ATOM 346 N LEU A 26 6.555 4.227 -3.768 1.00 0.00 N ATOM 347 CA LEU A 26 6.892 5.106 -4.875 1.00 0.00 C ATOM 348 C LEU A 26 5.661 5.930 -5.257 1.00 0.00 C ATOM 349 O LEU A 26 5.745 7.150 -5.392 1.00 0.00 O ATOM 350 CB LEU A 26 7.480 4.303 -6.037 1.00 0.00 C ATOM 351 CG LEU A 26 8.500 5.036 -6.911 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.509 4.473 -8.333 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.251 6.546 -6.894 1.00 0.00 C ATOM 0 H LEU A 26 6.196 3.313 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 26 7.670 5.811 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.954 3.409 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.660 3.968 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 26 9.492 4.868 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.242 5.012 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.770 3.415 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.520 4.590 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.989 7.044 -7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.251 6.754 -7.274 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.335 6.917 -5.873 1.00 0.00 H new ATOM 365 N TYR A 27 4.548 5.232 -5.421 1.00 0.00 N ATOM 366 CA TYR A 27 3.301 5.884 -5.785 1.00 0.00 C ATOM 367 C TYR A 27 2.183 5.515 -4.809 1.00 0.00 C ATOM 368 O TYR A 27 1.450 4.553 -5.033 1.00 0.00 O ATOM 369 CB TYR A 27 2.941 5.359 -7.176 1.00 0.00 C ATOM 370 CG TYR A 27 2.585 3.871 -7.207 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.584 2.921 -7.166 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.263 3.480 -7.274 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.249 1.521 -7.194 1.00 0.00 C ATOM 374 CE2 TYR A 27 0.927 2.080 -7.303 1.00 0.00 C ATOM 375 CZ TYR A 27 1.937 1.169 -7.261 1.00 0.00 C ATOM 376 OH TYR A 27 1.619 -0.153 -7.288 1.00 0.00 O ATOM 0 H TYR A 27 4.483 4.220 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 27 3.415 6.968 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.098 5.932 -7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.781 5.535 -7.848 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.618 3.227 -7.113 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.481 4.224 -7.305 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.022 0.767 -7.163 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.103 1.760 -7.357 1.00 0.00 H new ATOM 0 HH TYR A 27 2.175 -0.636 -6.642 1.00 0.00 H new ATOM 386 N SER A 28 2.087 6.299 -3.745 1.00 0.00 N ATOM 387 CA SER A 28 1.071 6.067 -2.733 1.00 0.00 C ATOM 388 C SER A 28 -0.307 6.452 -3.277 1.00 0.00 C ATOM 389 O SER A 28 -0.583 7.630 -3.500 1.00 0.00 O ATOM 390 CB SER A 28 1.375 6.852 -1.456 1.00 0.00 C ATOM 391 OG SER A 28 1.438 8.255 -1.694 1.00 0.00 O ATOM 0 H SER A 28 2.697 7.096 -3.562 1.00 0.00 H new ATOM 0 HA SER A 28 1.073 5.006 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.606 6.645 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.323 6.512 -1.039 1.00 0.00 H new ATOM 0 HG SER A 28 0.770 8.503 -2.367 1.00 0.00 H new ATOM 397 N THR A 29 -1.135 5.437 -3.475 1.00 0.00 N ATOM 398 CA THR A 29 -2.476 5.654 -3.988 1.00 0.00 C ATOM 399 C THR A 29 -3.466 5.833 -2.835 1.00 0.00 C ATOM 400 O THR A 29 -3.178 5.456 -1.700 1.00 0.00 O ATOM 401 CB THR A 29 -2.825 4.485 -4.911 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.825 5.013 -5.778 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.533 3.347 -4.174 1.00 0.00 C ATOM 0 H THR A 29 -0.902 4.461 -3.289 1.00 0.00 H new ATOM 0 HA THR A 29 -2.532 6.574 -4.570 1.00 0.00 H new ATOM 0 HB THR A 29 -1.914 4.105 -5.374 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.869 4.472 -6.594 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.758 2.544 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.886 2.968 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.460 3.718 -3.738 1.00 0.00 H new ATOM 411 N LYS A 30 -4.612 6.410 -3.166 1.00 0.00 N ATOM 412 CA LYS A 30 -5.646 6.643 -2.172 1.00 0.00 C ATOM 413 C LYS A 30 -6.713 5.553 -2.286 1.00 0.00 C ATOM 414 O LYS A 30 -7.096 5.166 -3.389 1.00 0.00 O ATOM 415 CB LYS A 30 -6.202 8.063 -2.301 1.00 0.00 C ATOM 416 CG LYS A 30 -5.150 9.102 -1.906 1.00 0.00 C ATOM 417 CD LYS A 30 -4.475 9.696 -3.144 1.00 0.00 C ATOM 418 CE LYS A 30 -3.505 10.814 -2.756 1.00 0.00 C ATOM 419 NZ LYS A 30 -4.132 12.138 -2.961 1.00 0.00 N ATOM 0 H LYS A 30 -4.847 6.723 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.229 6.578 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.525 8.239 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.082 8.172 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.619 9.897 -1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.400 8.640 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.938 8.914 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.232 10.086 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.211 10.702 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.596 10.739 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.460 12.885 -2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.391 12.248 -3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.986 12.213 -2.372 1.00 0.00 H new ATOM 433 N VAL A 31 -7.163 5.087 -1.130 1.00 0.00 N ATOM 434 CA VAL A 31 -8.178 4.048 -1.086 1.00 0.00 C ATOM 435 C VAL A 31 -9.522 4.635 -1.524 1.00 0.00 C ATOM 436 O VAL A 31 -9.994 5.613 -0.947 1.00 0.00 O ATOM 437 CB VAL A 31 -8.226 3.422 0.309 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.803 2.006 0.255 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.842 3.426 0.960 1.00 0.00 C ATOM 0 H VAL A 31 -6.843 5.410 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.932 3.244 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.888 4.030 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.826 1.584 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.815 2.041 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.179 1.383 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.905 2.976 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.149 2.853 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.485 4.452 1.050 1.00 0.00 H new ATOM 449 N THR A 32 -10.099 4.013 -2.542 1.00 0.00 N ATOM 450 CA THR A 32 -11.378 4.462 -3.065 1.00 0.00 C ATOM 451 C THR A 32 -12.518 3.991 -2.160 1.00 0.00 C ATOM 452 O THR A 32 -12.550 2.833 -1.746 1.00 0.00 O ATOM 453 CB THR A 32 -11.501 3.963 -4.506 1.00 0.00 C ATOM 454 OG1 THR A 32 -10.804 4.941 -5.272 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.937 4.034 -5.030 1.00 0.00 C ATOM 0 H THR A 32 -9.704 3.202 -3.018 1.00 0.00 H new ATOM 0 HA THR A 32 -11.441 5.550 -3.076 1.00 0.00 H new ATOM 0 HB THR A 32 -11.143 2.935 -4.566 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.832 4.695 -6.220 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.968 3.668 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.583 3.417 -4.405 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.284 5.067 -5.002 1.00 0.00 H new ATOM 463 N THR A 33 -13.427 4.914 -1.878 1.00 0.00 N ATOM 464 CA THR A 33 -14.566 4.608 -1.030 1.00 0.00 C ATOM 465 C THR A 33 -15.179 3.262 -1.424 1.00 0.00 C ATOM 466 O THR A 33 -15.926 2.666 -0.650 1.00 0.00 O ATOM 467 CB THR A 33 -15.551 5.775 -1.122 1.00 0.00 C ATOM 468 OG1 THR A 33 -16.511 5.500 -0.106 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.364 5.753 -2.418 1.00 0.00 C ATOM 0 H THR A 33 -13.397 5.874 -2.222 1.00 0.00 H new ATOM 0 HA THR A 33 -14.265 4.499 0.012 1.00 0.00 H new ATOM 0 HB THR A 33 -15.006 6.716 -1.050 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.187 6.209 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.047 6.602 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.689 5.815 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 33 -16.935 4.826 -2.473 1.00 0.00 H new ATOM 477 N SER A 34 -14.840 2.824 -2.627 1.00 0.00 N ATOM 478 CA SER A 34 -15.347 1.560 -3.134 1.00 0.00 C ATOM 479 C SER A 34 -14.356 0.436 -2.823 1.00 0.00 C ATOM 480 O SER A 34 -14.458 -0.657 -3.378 1.00 0.00 O ATOM 481 CB SER A 34 -15.610 1.635 -4.639 1.00 0.00 C ATOM 482 OG SER A 34 -16.929 1.212 -4.973 1.00 0.00 O ATOM 0 H SER A 34 -14.220 3.322 -3.266 1.00 0.00 H new ATOM 0 HA SER A 34 -16.294 1.348 -2.638 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.460 2.658 -4.983 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.886 1.013 -5.165 1.00 0.00 H new ATOM 0 HG SER A 34 -17.058 1.276 -5.942 1.00 0.00 H new ATOM 488 N ILE A 35 -13.420 0.744 -1.937 1.00 0.00 N ATOM 489 CA ILE A 35 -12.412 -0.227 -1.547 1.00 0.00 C ATOM 490 C ILE A 35 -13.065 -1.322 -0.701 1.00 0.00 C ATOM 491 O ILE A 35 -14.241 -1.224 -0.353 1.00 0.00 O ATOM 492 CB ILE A 35 -11.239 0.469 -0.853 1.00 0.00 C ATOM 493 CG1 ILE A 35 -9.905 0.042 -1.469 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.275 0.229 0.658 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.104 -0.825 -0.497 1.00 0.00 C ATOM 0 H ILE A 35 -13.339 1.652 -1.479 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.990 -0.713 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.338 1.543 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.087 -0.511 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.325 0.925 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.431 0.734 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.206 0.622 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.214 -0.841 0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.161 -1.114 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.903 -0.260 0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.677 -1.719 -0.250 1.00 0.00 H new ATOM 507 N THR A 36 -12.273 -2.339 -0.395 1.00 0.00 N ATOM 508 CA THR A 36 -12.760 -3.452 0.403 1.00 0.00 C ATOM 509 C THR A 36 -12.991 -3.010 1.850 1.00 0.00 C ATOM 510 O THR A 36 -12.058 -2.583 2.528 1.00 0.00 O ATOM 511 CB THR A 36 -11.759 -4.601 0.271 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.179 -5.542 1.257 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.349 -4.204 0.713 1.00 0.00 C ATOM 0 H THR A 36 -11.298 -2.416 -0.685 1.00 0.00 H new ATOM 0 HA THR A 36 -13.728 -3.802 0.045 1.00 0.00 H new ATOM 0 HB THR A 36 -11.732 -4.942 -0.764 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.400 -5.857 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.679 -5.056 0.599 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.994 -3.378 0.097 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.369 -3.895 1.758 1.00 0.00 H new ATOM 521 N SER A 37 -14.239 -3.127 2.279 1.00 0.00 N ATOM 522 CA SER A 37 -14.604 -2.745 3.632 1.00 0.00 C ATOM 523 C SER A 37 -15.134 -3.961 4.394 1.00 0.00 C ATOM 524 O SER A 37 -15.039 -4.020 5.619 1.00 0.00 O ATOM 525 CB SER A 37 -15.647 -1.626 3.626 1.00 0.00 C ATOM 526 OG SER A 37 -16.271 -1.485 2.353 1.00 0.00 O ATOM 0 H SER A 37 -15.010 -3.481 1.713 1.00 0.00 H new ATOM 0 HA SER A 37 -13.712 -2.370 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.406 -1.833 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.171 -0.685 3.903 1.00 0.00 H new ATOM 0 HG SER A 37 -16.931 -0.762 2.391 1.00 0.00 H new ATOM 532 N LYS A 38 -15.681 -4.901 3.638 1.00 0.00 N ATOM 533 CA LYS A 38 -16.227 -6.112 4.227 1.00 0.00 C ATOM 534 C LYS A 38 -15.265 -7.275 3.974 1.00 0.00 C ATOM 535 O LYS A 38 -14.947 -8.032 4.890 1.00 0.00 O ATOM 536 CB LYS A 38 -17.646 -6.365 3.713 1.00 0.00 C ATOM 537 CG LYS A 38 -17.623 -7.177 2.417 1.00 0.00 C ATOM 538 CD LYS A 38 -19.041 -7.557 1.983 1.00 0.00 C ATOM 539 CE LYS A 38 -19.490 -6.719 0.784 1.00 0.00 C ATOM 540 NZ LYS A 38 -20.844 -7.126 0.347 1.00 0.00 N ATOM 0 H LYS A 38 -15.758 -4.849 2.622 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.319 -6.002 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.221 -6.898 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.149 -5.414 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.141 -6.598 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.028 -8.079 2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.075 -8.615 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.731 -7.409 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -19.490 -5.662 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.784 -6.841 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.134 -6.548 -0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.834 -8.129 0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.517 -6.987 1.128 1.00 0.00 H new ATOM 554 N LYS A 39 -14.829 -7.380 2.727 1.00 0.00 N ATOM 555 CA LYS A 39 -13.910 -8.438 2.343 1.00 0.00 C ATOM 556 C LYS A 39 -12.558 -8.205 3.020 1.00 0.00 C ATOM 557 O LYS A 39 -11.963 -7.138 2.874 1.00 0.00 O ATOM 558 CB LYS A 39 -13.824 -8.545 0.819 1.00 0.00 C ATOM 559 CG LYS A 39 -14.065 -9.984 0.356 1.00 0.00 C ATOM 560 CD LYS A 39 -12.745 -10.748 0.231 1.00 0.00 C ATOM 561 CE LYS A 39 -12.080 -10.475 -1.119 1.00 0.00 C ATOM 562 NZ LYS A 39 -10.819 -11.242 -1.240 1.00 0.00 N ATOM 0 H LYS A 39 -15.095 -6.750 1.970 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.277 -9.405 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.561 -7.884 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.843 -8.210 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.718 -10.493 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.579 -9.979 -0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.073 -10.455 1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.927 -11.817 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.758 -10.749 -1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.876 -9.409 -1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.380 -11.045 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.167 -10.961 -0.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.023 -12.259 -1.163 1.00 0.00 H new ATOM 576 N TRP A 40 -12.113 -9.219 3.747 1.00 0.00 N ATOM 577 CA TRP A 40 -10.843 -9.138 4.447 1.00 0.00 C ATOM 578 C TRP A 40 -10.195 -10.524 4.414 1.00 0.00 C ATOM 579 O TRP A 40 -10.805 -11.508 4.830 1.00 0.00 O ATOM 580 CB TRP A 40 -11.033 -8.600 5.867 1.00 0.00 C ATOM 581 CG TRP A 40 -11.489 -7.141 5.924 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.413 -6.596 6.727 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.002 -6.055 5.107 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.556 -5.244 6.489 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.670 -4.905 5.473 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.028 -6.045 4.093 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.438 -3.660 4.876 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.807 -4.794 3.506 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.472 -3.626 3.863 1.00 0.00 C ATOM 0 H TRP A 40 -12.610 -10.102 3.866 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.176 -8.430 3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.766 -9.219 6.384 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.093 -8.698 6.410 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -12.975 -7.146 7.467 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.194 -4.610 6.970 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.493 -6.933 3.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.975 -2.774 5.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.068 -4.731 2.721 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.244 -2.697 3.361 1.00 0.00 H new ATOM 600 N GLY A 41 -8.968 -10.557 3.917 1.00 0.00 N ATOM 601 CA GLY A 41 -8.231 -11.805 3.825 1.00 0.00 C ATOM 602 C GLY A 41 -6.984 -11.773 4.710 1.00 0.00 C ATOM 603 O GLY A 41 -6.513 -10.701 5.086 1.00 0.00 O ATOM 0 H GLY A 41 -8.465 -9.739 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.873 -12.633 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.942 -11.985 2.790 1.00 0.00 H new ATOM 607 N THR A 42 -6.484 -12.961 5.018 1.00 0.00 N ATOM 608 CA THR A 42 -5.301 -13.082 5.852 1.00 0.00 C ATOM 609 C THR A 42 -4.136 -12.300 5.242 1.00 0.00 C ATOM 610 O THR A 42 -3.333 -11.711 5.964 1.00 0.00 O ATOM 611 CB THR A 42 -5.003 -14.571 6.037 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.777 -14.593 6.763 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.666 -15.269 4.718 1.00 0.00 C ATOM 0 H THR A 42 -6.877 -13.848 4.705 1.00 0.00 H new ATOM 0 HA THR A 42 -5.465 -12.644 6.837 1.00 0.00 H new ATOM 0 HB THR A 42 -5.863 -15.058 6.497 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.511 -15.522 6.928 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.463 -16.323 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.509 -15.178 4.033 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.786 -14.803 4.274 1.00 0.00 H new ATOM 621 N ARG A 43 -4.080 -12.321 3.918 1.00 0.00 N ATOM 622 CA ARG A 43 -3.027 -11.621 3.203 1.00 0.00 C ATOM 623 C ARG A 43 -3.511 -10.238 2.764 1.00 0.00 C ATOM 624 O ARG A 43 -2.814 -9.535 2.035 1.00 0.00 O ATOM 625 CB ARG A 43 -2.579 -12.411 1.971 1.00 0.00 C ATOM 626 CG ARG A 43 -1.262 -13.143 2.238 1.00 0.00 C ATOM 627 CD ARG A 43 -0.492 -13.378 0.937 1.00 0.00 C ATOM 628 NE ARG A 43 -1.263 -14.274 0.047 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.748 -14.889 -1.038 1.00 0.00 C ATOM 630 NH1 ARG A 43 0.547 -14.710 -1.378 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.528 -15.669 -1.763 1.00 0.00 N ATOM 0 H ARG A 43 -4.747 -12.812 3.322 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.180 -11.515 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.350 -13.131 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.458 -11.734 1.125 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.651 -12.560 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.464 -14.098 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.307 -12.427 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.481 -13.818 1.155 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.245 -14.437 0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.144 -14.106 -0.813 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.928 -15.179 -2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.505 -15.800 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.154 -16.141 -2.586 1.00 0.00 H new ATOM 645 N ASP A 44 -4.703 -9.889 3.227 1.00 0.00 N ATOM 646 CA ASP A 44 -5.288 -8.602 2.892 1.00 0.00 C ATOM 647 C ASP A 44 -5.182 -7.668 4.099 1.00 0.00 C ATOM 648 O ASP A 44 -4.978 -8.122 5.223 1.00 0.00 O ATOM 649 CB ASP A 44 -6.769 -8.747 2.535 1.00 0.00 C ATOM 650 CG ASP A 44 -7.162 -8.190 1.165 1.00 0.00 C ATOM 651 OD1 ASP A 44 -6.453 -7.272 0.701 1.00 0.00 O ATOM 652 OD2 ASP A 44 -8.163 -8.696 0.613 1.00 0.00 O ATOM 0 H ASP A 44 -5.279 -10.475 3.831 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.748 -8.199 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.034 -9.804 2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.362 -8.244 3.299 1.00 0.00 H new ATOM 657 N LEU A 45 -5.324 -6.380 3.824 1.00 0.00 N ATOM 658 CA LEU A 45 -5.246 -5.378 4.873 1.00 0.00 C ATOM 659 C LEU A 45 -6.660 -5.009 5.326 1.00 0.00 C ATOM 660 O LEU A 45 -7.608 -5.094 4.547 1.00 0.00 O ATOM 661 CB LEU A 45 -4.417 -4.179 4.409 1.00 0.00 C ATOM 662 CG LEU A 45 -3.600 -3.469 5.490 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.486 -4.375 6.018 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.057 -2.133 4.979 1.00 0.00 C ATOM 0 H LEU A 45 -5.493 -6.007 2.890 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.726 -5.778 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.735 -4.515 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.090 -3.452 3.954 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.261 -3.248 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.920 -3.847 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.923 -5.277 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.820 -4.648 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.480 -1.649 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.416 -2.307 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.888 -1.489 4.690 1.00 0.00 H new ATOM 676 N GLN A 46 -6.758 -4.608 6.585 1.00 0.00 N ATOM 677 CA GLN A 46 -8.041 -4.226 7.151 1.00 0.00 C ATOM 678 C GLN A 46 -8.311 -2.742 6.901 1.00 0.00 C ATOM 679 O GLN A 46 -8.975 -2.084 7.700 1.00 0.00 O ATOM 680 CB GLN A 46 -8.098 -4.549 8.646 1.00 0.00 C ATOM 681 CG GLN A 46 -9.377 -3.995 9.278 1.00 0.00 C ATOM 682 CD GLN A 46 -9.842 -4.877 10.438 1.00 0.00 C ATOM 683 OE1 GLN A 46 -9.773 -4.508 11.599 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.318 -6.061 10.061 1.00 0.00 N ATOM 0 H GLN A 46 -5.970 -4.539 7.229 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.821 -4.805 6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.055 -5.629 8.790 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.227 -4.125 9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.200 -2.981 9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.163 -3.935 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.348 -6.307 9.072 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.653 -6.722 10.761 1.00 0.00 H new ATOM 693 N VAL A 47 -7.782 -2.256 5.787 1.00 0.00 N ATOM 694 CA VAL A 47 -7.958 -0.861 5.421 1.00 0.00 C ATOM 695 C VAL A 47 -9.441 -0.591 5.157 1.00 0.00 C ATOM 696 O VAL A 47 -10.211 -1.518 4.913 1.00 0.00 O ATOM 697 CB VAL A 47 -7.066 -0.517 4.226 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.603 -0.855 4.519 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.549 -1.226 2.959 1.00 0.00 C ATOM 0 H VAL A 47 -7.231 -2.804 5.126 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.649 -0.210 6.239 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.134 0.557 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.991 -0.601 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.264 -0.285 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.511 -1.921 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.898 -0.964 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.525 -2.305 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.569 -0.915 2.734 1.00 0.00 H new ATOM 709 N LYS A 48 -9.796 0.684 5.216 1.00 0.00 N ATOM 710 CA LYS A 48 -11.173 1.089 4.987 1.00 0.00 C ATOM 711 C LYS A 48 -11.254 1.892 3.687 1.00 0.00 C ATOM 712 O LYS A 48 -10.268 2.491 3.261 1.00 0.00 O ATOM 713 CB LYS A 48 -11.722 1.833 6.205 1.00 0.00 C ATOM 714 CG LYS A 48 -10.650 2.728 6.831 1.00 0.00 C ATOM 715 CD LYS A 48 -9.865 1.973 7.906 1.00 0.00 C ATOM 716 CE LYS A 48 -10.718 1.759 9.158 1.00 0.00 C ATOM 717 NZ LYS A 48 -9.985 2.201 10.365 1.00 0.00 N ATOM 0 H LYS A 48 -9.154 1.450 5.419 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.812 0.215 4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.579 2.438 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.078 1.115 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.968 3.080 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.118 3.610 7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.539 1.009 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.966 2.532 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.652 2.314 9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.981 0.705 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.578 2.049 11.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.106 1.653 10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.756 3.212 10.281 1.00 0.00 H new ATOM 731 N PRO A 49 -12.470 1.878 3.078 1.00 0.00 N ATOM 732 CA PRO A 49 -12.693 2.598 1.836 1.00 0.00 C ATOM 733 C PRO A 49 -12.797 4.104 2.086 1.00 0.00 C ATOM 734 O PRO A 49 -13.540 4.542 2.962 1.00 0.00 O ATOM 735 CB PRO A 49 -13.967 2.003 1.259 1.00 0.00 C ATOM 736 CG PRO A 49 -14.661 1.303 2.417 1.00 0.00 C ATOM 737 CD PRO A 49 -13.660 1.180 3.554 1.00 0.00 C ATOM 0 HA PRO A 49 -11.866 2.491 1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.603 2.779 0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.742 1.301 0.456 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.535 1.870 2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.015 0.318 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.043 1.630 4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.443 0.136 3.779 1.00 0.00 H new ATOM 745 N GLY A 50 -12.040 4.856 1.299 1.00 0.00 N ATOM 746 CA GLY A 50 -12.037 6.303 1.424 1.00 0.00 C ATOM 747 C GLY A 50 -10.830 6.781 2.235 1.00 0.00 C ATOM 748 O GLY A 50 -10.755 7.950 2.611 1.00 0.00 O ATOM 0 H GLY A 50 -11.425 4.489 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.017 6.757 0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.957 6.632 1.907 1.00 0.00 H new ATOM 752 N GLU A 51 -9.917 5.853 2.479 1.00 0.00 N ATOM 753 CA GLU A 51 -8.718 6.166 3.237 1.00 0.00 C ATOM 754 C GLU A 51 -7.513 6.281 2.302 1.00 0.00 C ATOM 755 O GLU A 51 -7.613 5.976 1.114 1.00 0.00 O ATOM 756 CB GLU A 51 -8.469 5.119 4.325 1.00 0.00 C ATOM 757 CG GLU A 51 -8.774 5.687 5.713 1.00 0.00 C ATOM 758 CD GLU A 51 -10.210 6.210 5.787 1.00 0.00 C ATOM 759 OE1 GLU A 51 -10.936 6.020 4.787 1.00 0.00 O ATOM 760 OE2 GLU A 51 -10.550 6.788 6.842 1.00 0.00 O ATOM 0 H GLU A 51 -9.983 4.885 2.165 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.864 7.127 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.092 4.244 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.432 4.786 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.625 4.914 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.077 6.493 5.941 1.00 0.00 H new ATOM 767 N SER A 52 -6.401 6.721 2.872 1.00 0.00 N ATOM 768 CA SER A 52 -5.178 6.880 2.103 1.00 0.00 C ATOM 769 C SER A 52 -4.041 6.096 2.761 1.00 0.00 C ATOM 770 O SER A 52 -3.802 6.230 3.960 1.00 0.00 O ATOM 771 CB SER A 52 -4.798 8.356 1.972 1.00 0.00 C ATOM 772 OG SER A 52 -5.304 9.136 3.052 1.00 0.00 O ATOM 0 H SER A 52 -6.321 6.972 3.857 1.00 0.00 H new ATOM 0 HA SER A 52 -5.350 6.487 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.713 8.449 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.183 8.747 1.031 1.00 0.00 H new ATOM 0 HG SER A 52 -5.038 10.072 2.932 1.00 0.00 H new ATOM 778 N LEU A 53 -3.369 5.294 1.948 1.00 0.00 N ATOM 779 CA LEU A 53 -2.263 4.488 2.436 1.00 0.00 C ATOM 780 C LEU A 53 -1.139 4.492 1.398 1.00 0.00 C ATOM 781 O LEU A 53 -1.355 4.860 0.244 1.00 0.00 O ATOM 782 CB LEU A 53 -2.747 3.087 2.813 1.00 0.00 C ATOM 783 CG LEU A 53 -1.725 2.191 3.516 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.183 2.864 4.779 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.316 0.811 3.811 1.00 0.00 C ATOM 0 H LEU A 53 -3.569 5.185 0.954 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.854 4.916 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.619 3.187 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.080 2.583 1.906 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.881 2.042 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.459 2.206 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.699 3.803 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.005 3.063 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.569 0.194 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.188 0.919 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.613 0.335 2.876 1.00 0.00 H new ATOM 797 N GLU A 54 0.038 4.079 1.846 1.00 0.00 N ATOM 798 CA GLU A 54 1.197 4.030 0.971 1.00 0.00 C ATOM 799 C GLU A 54 1.125 2.801 0.063 1.00 0.00 C ATOM 800 O GLU A 54 0.856 1.695 0.530 1.00 0.00 O ATOM 801 CB GLU A 54 2.495 4.039 1.780 1.00 0.00 C ATOM 802 CG GLU A 54 3.164 5.415 1.728 1.00 0.00 C ATOM 803 CD GLU A 54 2.914 6.194 3.021 1.00 0.00 C ATOM 804 OE1 GLU A 54 2.903 5.539 4.086 1.00 0.00 O ATOM 805 OE2 GLU A 54 2.740 7.428 2.916 1.00 0.00 O ATOM 0 H GLU A 54 0.214 3.775 2.804 1.00 0.00 H new ATOM 0 HA GLU A 54 1.192 4.921 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.284 3.772 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.177 3.284 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.236 5.297 1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.779 5.979 0.879 1.00 0.00 H new ATOM 812 N VAL A 55 1.370 3.035 -1.218 1.00 0.00 N ATOM 813 CA VAL A 55 1.337 1.960 -2.195 1.00 0.00 C ATOM 814 C VAL A 55 2.768 1.544 -2.538 1.00 0.00 C ATOM 815 O VAL A 55 3.605 2.389 -2.856 1.00 0.00 O ATOM 816 CB VAL A 55 0.529 2.392 -3.421 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.050 1.711 -4.688 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.962 2.114 -3.221 1.00 0.00 C ATOM 0 H VAL A 55 1.592 3.953 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 55 0.835 1.085 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 55 0.655 3.468 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.459 2.035 -5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.094 1.983 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.969 0.629 -4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.513 2.430 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.115 1.047 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.322 2.667 -2.353 1.00 0.00 H new ATOM 828 N ILE A 56 3.007 0.243 -2.463 1.00 0.00 N ATOM 829 CA ILE A 56 4.323 -0.295 -2.762 1.00 0.00 C ATOM 830 C ILE A 56 4.389 -0.677 -4.242 1.00 0.00 C ATOM 831 O ILE A 56 3.903 0.060 -5.099 1.00 0.00 O ATOM 832 CB ILE A 56 4.659 -1.448 -1.814 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.354 -1.071 -0.363 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.108 -1.903 -1.996 1.00 0.00 C ATOM 835 CD1 ILE A 56 5.063 -2.016 0.610 1.00 0.00 C ATOM 0 H ILE A 56 2.311 -0.455 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 56 5.090 0.460 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 56 4.022 -2.295 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.671 -0.045 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.278 -1.108 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.321 -2.723 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.258 -2.240 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.780 -1.071 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.829 -1.726 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.725 -3.038 0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.140 -1.958 0.453 1.00 0.00 H new ATOM 847 N GLN A 57 4.993 -1.828 -4.497 1.00 0.00 N ATOM 848 CA GLN A 57 5.129 -2.317 -5.859 1.00 0.00 C ATOM 849 C GLN A 57 3.988 -3.280 -6.193 1.00 0.00 C ATOM 850 O GLN A 57 3.388 -3.872 -5.297 1.00 0.00 O ATOM 851 CB GLN A 57 6.490 -2.984 -6.069 1.00 0.00 C ATOM 852 CG GLN A 57 6.823 -3.092 -7.558 1.00 0.00 C ATOM 853 CD GLN A 57 8.325 -3.296 -7.770 1.00 0.00 C ATOM 854 OE1 GLN A 57 8.796 -4.388 -8.044 1.00 0.00 O ATOM 855 NE2 GLN A 57 9.047 -2.189 -7.628 1.00 0.00 N ATOM 0 H GLN A 57 5.394 -2.437 -3.783 1.00 0.00 H new ATOM 0 HA GLN A 57 5.070 -1.466 -6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.263 -2.408 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.485 -3.978 -5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.274 -3.924 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.499 -2.188 -8.073 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.589 -1.307 -7.398 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.059 -2.221 -7.749 1.00 0.00 H new ATOM 864 N THR A 58 3.723 -3.407 -7.485 1.00 0.00 N ATOM 865 CA THR A 58 2.665 -4.288 -7.949 1.00 0.00 C ATOM 866 C THR A 58 3.032 -5.749 -7.681 1.00 0.00 C ATOM 867 O THR A 58 4.070 -6.226 -8.139 1.00 0.00 O ATOM 868 CB THR A 58 2.411 -3.986 -9.427 1.00 0.00 C ATOM 869 OG1 THR A 58 3.717 -3.859 -9.984 1.00 0.00 O ATOM 870 CG2 THR A 58 1.778 -2.610 -9.643 1.00 0.00 C ATOM 0 H THR A 58 4.223 -2.914 -8.225 1.00 0.00 H new ATOM 0 HA THR A 58 1.738 -4.113 -7.404 1.00 0.00 H new ATOM 0 HB THR A 58 1.762 -4.754 -9.848 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.284 -4.589 -9.658 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.619 -2.446 -10.709 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.822 -2.564 -9.122 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.442 -1.839 -9.252 1.00 0.00 H new ATOM 878 N THR A 59 2.161 -6.419 -6.942 1.00 0.00 N ATOM 879 CA THR A 59 2.381 -7.816 -6.608 1.00 0.00 C ATOM 880 C THR A 59 2.600 -8.640 -7.879 1.00 0.00 C ATOM 881 O THR A 59 3.723 -9.044 -8.176 1.00 0.00 O ATOM 882 CB THR A 59 1.193 -8.295 -5.771 1.00 0.00 C ATOM 883 OG1 THR A 59 1.579 -8.013 -4.428 1.00 0.00 O ATOM 884 CG2 THR A 59 1.031 -9.816 -5.800 1.00 0.00 C ATOM 0 H THR A 59 1.301 -6.021 -6.565 1.00 0.00 H new ATOM 0 HA THR A 59 3.287 -7.943 -6.015 1.00 0.00 H new ATOM 0 HB THR A 59 0.279 -7.826 -6.136 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.232 -8.711 -3.834 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.174 -10.102 -5.190 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.872 -10.145 -6.827 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.931 -10.285 -5.404 1.00 0.00 H new ATOM 892 N ASP A 60 1.508 -8.865 -8.595 1.00 0.00 N ATOM 893 CA ASP A 60 1.566 -9.633 -9.827 1.00 0.00 C ATOM 894 C ASP A 60 1.459 -8.683 -11.021 1.00 0.00 C ATOM 895 O ASP A 60 2.468 -8.164 -11.499 1.00 0.00 O ATOM 896 CB ASP A 60 0.408 -10.629 -9.910 1.00 0.00 C ATOM 897 CG ASP A 60 0.134 -11.187 -11.309 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.069 -11.128 -12.136 1.00 0.00 O ATOM 899 OD2 ASP A 60 -1.004 -11.660 -11.518 1.00 0.00 O ATOM 0 H ASP A 60 0.578 -8.529 -8.345 1.00 0.00 H new ATOM 0 HA ASP A 60 2.511 -10.176 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.615 -11.461 -9.237 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.497 -10.143 -9.546 1.00 0.00 H new ATOM 904 N ASP A 61 0.229 -8.483 -11.469 1.00 0.00 N ATOM 905 CA ASP A 61 -0.023 -7.604 -12.599 1.00 0.00 C ATOM 906 C ASP A 61 -0.904 -6.438 -12.145 1.00 0.00 C ATOM 907 O ASP A 61 -0.529 -5.276 -12.298 1.00 0.00 O ATOM 908 CB ASP A 61 -0.757 -8.343 -13.719 1.00 0.00 C ATOM 909 CG ASP A 61 -0.126 -9.672 -14.139 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.104 -9.670 -14.363 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.887 -10.659 -14.227 1.00 0.00 O ATOM 0 H ASP A 61 -0.605 -8.914 -11.070 1.00 0.00 H new ATOM 0 HA ASP A 61 0.938 -7.249 -12.971 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.782 -8.530 -13.399 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.809 -7.691 -14.591 1.00 0.00 H new ATOM 916 N THR A 62 -2.058 -6.788 -11.597 1.00 0.00 N ATOM 917 CA THR A 62 -2.995 -5.785 -11.120 1.00 0.00 C ATOM 918 C THR A 62 -3.204 -5.925 -9.611 1.00 0.00 C ATOM 919 O THR A 62 -4.279 -6.321 -9.164 1.00 0.00 O ATOM 920 CB THR A 62 -4.286 -5.922 -11.928 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.872 -6.541 -13.143 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.847 -4.570 -12.372 1.00 0.00 C ATOM 0 H THR A 62 -2.366 -7.752 -11.473 1.00 0.00 H new ATOM 0 HA THR A 62 -2.607 -4.778 -11.270 1.00 0.00 H new ATOM 0 HB THR A 62 -5.032 -6.446 -11.331 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.649 -6.669 -13.726 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.763 -4.726 -12.942 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.064 -3.960 -11.495 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.114 -4.059 -12.996 1.00 0.00 H new ATOM 930 N LYS A 63 -2.159 -5.592 -8.867 1.00 0.00 N ATOM 931 CA LYS A 63 -2.215 -5.675 -7.418 1.00 0.00 C ATOM 932 C LYS A 63 -1.162 -4.742 -6.816 1.00 0.00 C ATOM 933 O LYS A 63 -0.002 -4.764 -7.225 1.00 0.00 O ATOM 934 CB LYS A 63 -2.083 -7.129 -6.960 1.00 0.00 C ATOM 935 CG LYS A 63 -2.241 -7.242 -5.442 1.00 0.00 C ATOM 936 CD LYS A 63 -3.258 -8.324 -5.076 1.00 0.00 C ATOM 937 CE LYS A 63 -3.574 -8.296 -3.579 1.00 0.00 C ATOM 938 NZ LYS A 63 -5.037 -8.282 -3.358 1.00 0.00 N ATOM 0 H LYS A 63 -1.269 -5.264 -9.241 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.185 -5.337 -7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.838 -7.740 -7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.111 -7.521 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.277 -7.475 -4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.562 -6.284 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.174 -8.175 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.867 -9.304 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.135 -9.167 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.123 -7.415 -3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.275 -7.551 -2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.522 -8.074 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.344 -9.211 -3.007 1.00 0.00 H new ATOM 952 N VAL A 64 -1.604 -3.945 -5.855 1.00 0.00 N ATOM 953 CA VAL A 64 -0.714 -3.007 -5.193 1.00 0.00 C ATOM 954 C VAL A 64 -0.708 -3.289 -3.689 1.00 0.00 C ATOM 955 O VAL A 64 -1.764 -3.352 -3.062 1.00 0.00 O ATOM 956 CB VAL A 64 -1.124 -1.571 -5.530 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.439 -1.426 -7.020 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.309 -1.124 -4.672 1.00 0.00 C ATOM 0 H VAL A 64 -2.567 -3.929 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 64 0.308 -3.133 -5.551 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.281 -0.919 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.727 -0.397 -7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.556 -1.684 -7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.258 -2.094 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.580 -0.101 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.159 -1.782 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.033 -1.171 -3.618 1.00 0.00 H new ATOM 968 N LEU A 65 0.493 -3.453 -3.155 1.00 0.00 N ATOM 969 CA LEU A 65 0.650 -3.727 -1.737 1.00 0.00 C ATOM 970 C LEU A 65 0.760 -2.405 -0.975 1.00 0.00 C ATOM 971 O LEU A 65 1.630 -1.586 -1.268 1.00 0.00 O ATOM 972 CB LEU A 65 1.830 -4.673 -1.502 1.00 0.00 C ATOM 973 CG LEU A 65 2.774 -4.296 -0.358 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.255 -4.830 0.979 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.201 -4.765 -0.648 1.00 0.00 C ATOM 0 H LEU A 65 1.367 -3.401 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.227 -4.246 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.437 -5.671 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.411 -4.732 -2.422 1.00 0.00 H new ATOM 0 HG LEU A 65 2.802 -3.209 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.944 -4.548 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.272 -4.406 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.179 -5.916 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.852 -4.485 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.211 -5.848 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.559 -4.297 -1.565 1.00 0.00 H new ATOM 987 N CYS A 66 -0.134 -2.238 -0.012 1.00 0.00 N ATOM 988 CA CYS A 66 -0.148 -1.029 0.795 1.00 0.00 C ATOM 989 C CYS A 66 0.766 -1.246 2.002 1.00 0.00 C ATOM 990 O CYS A 66 1.040 -2.384 2.381 1.00 0.00 O ATOM 991 CB CYS A 66 -1.568 -0.646 1.216 1.00 0.00 C ATOM 992 SG CYS A 66 -2.666 -0.605 -0.249 1.00 0.00 S ATOM 0 H CYS A 66 -0.854 -2.919 0.228 1.00 0.00 H new ATOM 0 HA CYS A 66 0.224 -0.191 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.946 -1.363 1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.561 0.329 1.703 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.882 -0.343 0.128 1.00 0.00 H new ATOM 998 N ARG A 67 1.213 -0.137 2.573 1.00 0.00 N ATOM 999 CA ARG A 67 2.091 -0.192 3.729 1.00 0.00 C ATOM 1000 C ARG A 67 1.615 0.788 4.804 1.00 0.00 C ATOM 1001 O ARG A 67 1.100 1.859 4.488 1.00 0.00 O ATOM 1002 CB ARG A 67 3.532 0.146 3.344 1.00 0.00 C ATOM 1003 CG ARG A 67 4.527 -0.658 4.183 1.00 0.00 C ATOM 1004 CD ARG A 67 5.949 -0.120 4.013 1.00 0.00 C ATOM 1005 NE ARG A 67 6.589 0.048 5.337 1.00 0.00 N ATOM 1006 CZ ARG A 67 6.159 0.911 6.281 1.00 0.00 C ATOM 1007 NH1 ARG A 67 5.082 1.693 6.055 1.00 0.00 N ATOM 1008 NH2 ARG A 67 6.807 0.979 7.429 1.00 0.00 N ATOM 0 H ARG A 67 0.983 0.805 2.256 1.00 0.00 H new ATOM 0 HA ARG A 67 2.061 -1.209 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.689 -0.065 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.709 1.212 3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.241 -0.614 5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.493 -1.707 3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.535 -0.806 3.401 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.925 0.835 3.488 1.00 0.00 H new ATOM 0 HE ARG A 67 7.406 -0.524 5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.587 1.634 5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.764 2.343 6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.620 0.385 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.495 1.626 8.153 1.00 0.00 H new ATOM 1022 N ASN A 68 1.803 0.385 6.052 1.00 0.00 N ATOM 1023 CA ASN A 68 1.399 1.214 7.175 1.00 0.00 C ATOM 1024 C ASN A 68 2.646 1.719 7.905 1.00 0.00 C ATOM 1025 O ASN A 68 3.586 0.959 8.133 1.00 0.00 O ATOM 1026 CB ASN A 68 0.557 0.417 8.173 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.859 0.191 7.639 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -1.067 -0.385 6.584 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -1.817 0.676 8.424 1.00 0.00 N ATOM 0 H ASN A 68 2.230 -0.505 6.310 1.00 0.00 H new ATOM 0 HA ASN A 68 0.808 2.044 6.787 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.033 -0.544 8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.511 0.950 9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.796 0.576 8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.573 1.148 9.295 1.00 0.00 H new ATOM 1036 N GLU A 69 2.613 2.998 8.250 1.00 0.00 N ATOM 1037 CA GLU A 69 3.728 3.613 8.949 1.00 0.00 C ATOM 1038 C GLU A 69 4.056 2.827 10.220 1.00 0.00 C ATOM 1039 O GLU A 69 5.149 2.957 10.769 1.00 0.00 O ATOM 1040 CB GLU A 69 3.431 5.079 9.272 1.00 0.00 C ATOM 1041 CG GLU A 69 4.154 6.012 8.298 1.00 0.00 C ATOM 1042 CD GLU A 69 5.572 6.320 8.784 1.00 0.00 C ATOM 1043 OE1 GLU A 69 6.209 5.380 9.307 1.00 0.00 O ATOM 1044 OE2 GLU A 69 5.987 7.488 8.621 1.00 0.00 O ATOM 0 H GLU A 69 1.832 3.625 8.058 1.00 0.00 H new ATOM 0 HA GLU A 69 4.600 3.589 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.357 5.256 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.743 5.301 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.196 5.551 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.592 6.940 8.193 1.00 0.00 H new ATOM 1051 N GLU A 70 3.090 2.030 10.651 1.00 0.00 N ATOM 1052 CA GLU A 70 3.262 1.223 11.847 1.00 0.00 C ATOM 1053 C GLU A 70 4.133 0.002 11.543 1.00 0.00 C ATOM 1054 O GLU A 70 4.462 -0.769 12.442 1.00 0.00 O ATOM 1055 CB GLU A 70 1.909 0.802 12.424 1.00 0.00 C ATOM 1056 CG GLU A 70 2.010 0.551 13.930 1.00 0.00 C ATOM 1057 CD GLU A 70 2.431 1.821 14.671 1.00 0.00 C ATOM 1058 OE1 GLU A 70 1.784 2.862 14.425 1.00 0.00 O ATOM 1059 OE2 GLU A 70 3.390 1.723 15.467 1.00 0.00 O ATOM 0 H GLU A 70 2.185 1.926 10.193 1.00 0.00 H new ATOM 0 HA GLU A 70 3.768 1.827 12.600 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.169 1.579 12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.561 -0.102 11.923 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.048 0.206 14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.732 -0.243 14.122 1.00 0.00 H new ATOM 1066 N GLY A 71 4.480 -0.136 10.272 1.00 0.00 N ATOM 1067 CA GLY A 71 5.306 -1.250 9.838 1.00 0.00 C ATOM 1068 C GLY A 71 4.446 -2.465 9.486 1.00 0.00 C ATOM 1069 O GLY A 71 4.933 -3.594 9.480 1.00 0.00 O ATOM 0 H GLY A 71 4.204 0.505 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.896 -0.954 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.010 -1.514 10.627 1.00 0.00 H new ATOM 1073 N LYS A 72 3.181 -2.193 9.201 1.00 0.00 N ATOM 1074 CA LYS A 72 2.248 -3.250 8.849 1.00 0.00 C ATOM 1075 C LYS A 72 1.962 -3.193 7.347 1.00 0.00 C ATOM 1076 O LYS A 72 1.535 -2.161 6.832 1.00 0.00 O ATOM 1077 CB LYS A 72 0.991 -3.167 9.718 1.00 0.00 C ATOM 1078 CG LYS A 72 0.323 -4.537 9.847 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.173 -4.448 9.538 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.975 -4.125 10.800 1.00 0.00 C ATOM 1081 NZ LYS A 72 -2.681 -2.833 10.648 1.00 0.00 N ATOM 0 H LYS A 72 2.780 -1.255 9.207 1.00 0.00 H new ATOM 0 HA LYS A 72 2.685 -4.227 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.252 -2.791 10.707 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.289 -2.456 9.282 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.798 -5.243 9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.467 -4.923 10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.347 -3.679 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.518 -5.392 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.696 -4.920 10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.308 -4.083 11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.221 -2.628 11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.987 -2.075 10.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.332 -2.886 9.839 1.00 0.00 H new ATOM 1095 N TYR A 73 2.210 -4.315 6.687 1.00 0.00 N ATOM 1096 CA TYR A 73 1.985 -4.406 5.255 1.00 0.00 C ATOM 1097 C TYR A 73 0.744 -5.247 4.947 1.00 0.00 C ATOM 1098 O TYR A 73 0.356 -6.101 5.742 1.00 0.00 O ATOM 1099 CB TYR A 73 3.217 -5.106 4.678 1.00 0.00 C ATOM 1100 CG TYR A 73 4.492 -4.263 4.729 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.054 -3.934 5.946 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.081 -3.830 3.558 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.255 -3.141 5.994 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.282 -3.037 3.606 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.810 -2.731 4.821 1.00 0.00 C ATOM 1106 OH TYR A 73 7.944 -1.982 4.867 1.00 0.00 O ATOM 0 H TYR A 73 2.565 -5.169 7.118 1.00 0.00 H new ATOM 0 HA TYR A 73 1.828 -3.416 4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.385 -6.034 5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.015 -5.379 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.593 -4.271 6.862 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.641 -4.086 2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.705 -2.878 6.940 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.753 -2.693 2.697 1.00 0.00 H new ATOM 0 HH TYR A 73 8.692 -2.539 5.168 1.00 0.00 H new ATOM 1116 N GLY A 74 0.156 -4.975 3.791 1.00 0.00 N ATOM 1117 CA GLY A 74 -1.032 -5.696 3.368 1.00 0.00 C ATOM 1118 C GLY A 74 -1.196 -5.640 1.848 1.00 0.00 C ATOM 1119 O GLY A 74 -0.619 -4.776 1.189 1.00 0.00 O ATOM 0 H GLY A 74 0.480 -4.265 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.966 -6.735 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.912 -5.268 3.848 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.985 -6.573 1.335 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.232 -6.640 -0.095 1.00 0.00 C ATOM 1125 C TYR A 75 -3.609 -6.070 -0.441 1.00 0.00 C ATOM 1126 O TYR A 75 -4.513 -6.069 0.394 1.00 0.00 O ATOM 1127 CB TYR A 75 -2.203 -8.126 -0.458 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.804 -8.665 -0.763 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.075 -7.914 -1.517 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.421 -9.901 -0.285 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.392 -8.420 -1.804 1.00 0.00 C ATOM 1132 CE2 TYR A 75 0.896 -10.408 -0.572 1.00 0.00 C ATOM 1133 CZ TYR A 75 1.738 -9.642 -1.317 1.00 0.00 C ATOM 1134 OH TYR A 75 2.982 -10.121 -1.589 1.00 0.00 O ATOM 0 H TYR A 75 -2.461 -7.288 1.884 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.487 -6.061 -0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.630 -8.699 0.365 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.842 -8.290 -1.326 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.225 -6.947 -1.892 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.109 -10.489 0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.089 -7.842 -2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.208 -11.374 -0.204 1.00 0.00 H new ATOM 0 HH TYR A 75 3.561 -9.990 -0.809 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.726 -5.598 -1.674 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.978 -5.027 -2.141 1.00 0.00 C ATOM 1146 C VAL A 76 -5.194 -5.410 -3.606 1.00 0.00 C ATOM 1147 O VAL A 76 -4.332 -5.165 -4.449 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.979 -3.514 -1.913 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.405 -2.960 -1.915 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.253 -3.154 -0.615 1.00 0.00 C ATOM 0 H VAL A 76 -2.974 -5.599 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.817 -5.430 -1.573 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.438 -3.051 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.377 -1.883 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.875 -3.169 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.980 -3.433 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.268 -2.073 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.752 -3.634 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.220 -3.498 -0.668 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.349 -6.006 -3.865 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.689 -6.426 -5.213 1.00 0.00 C ATOM 1162 C LEU A 77 -7.147 -5.210 -6.021 1.00 0.00 C ATOM 1163 O LEU A 77 -7.810 -4.321 -5.489 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.712 -7.563 -5.179 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.509 -8.679 -6.205 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.790 -9.494 -6.389 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.990 -8.118 -7.530 1.00 0.00 C ATOM 0 H LEU A 77 -7.061 -6.208 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.813 -6.833 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.700 -8.006 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.704 -7.137 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.747 -9.359 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.618 -10.281 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.076 -9.942 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.590 -8.841 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.854 -8.932 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.710 -7.403 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.036 -7.618 -7.365 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.776 -5.210 -7.293 1.00 0.00 N ATOM 1180 CA ARG A 78 -7.142 -4.118 -8.179 1.00 0.00 C ATOM 1181 C ARG A 78 -8.662 -3.956 -8.223 1.00 0.00 C ATOM 1182 O ARG A 78 -9.167 -2.890 -8.572 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.621 -4.362 -9.597 1.00 0.00 C ATOM 1184 CG ARG A 78 -7.420 -5.466 -10.293 1.00 0.00 C ATOM 1185 CD ARG A 78 -8.031 -4.960 -11.600 1.00 0.00 C ATOM 1186 NE ARG A 78 -9.373 -5.554 -11.796 1.00 0.00 N ATOM 1187 CZ ARG A 78 -10.027 -5.575 -12.976 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -9.467 -5.034 -14.079 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -11.222 -6.132 -13.036 1.00 0.00 N ATOM 0 H ARG A 78 -6.226 -5.949 -7.731 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.688 -3.208 -7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.687 -3.441 -10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.568 -4.640 -9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.770 -6.317 -10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.210 -5.820 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.105 -3.873 -11.579 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.384 -5.219 -12.438 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.832 -5.974 -10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.543 -4.605 -14.024 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.968 -5.054 -14.967 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.638 -6.538 -12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.730 -6.156 -13.920 1.00 0.00 H new ATOM 1203 N SER A 79 -9.351 -5.030 -7.863 1.00 0.00 N ATOM 1204 CA SER A 79 -10.804 -5.020 -7.857 1.00 0.00 C ATOM 1205 C SER A 79 -11.315 -3.793 -7.100 1.00 0.00 C ATOM 1206 O SER A 79 -12.034 -2.968 -7.661 1.00 0.00 O ATOM 1207 CB SER A 79 -11.360 -6.300 -7.230 1.00 0.00 C ATOM 1208 OG SER A 79 -12.756 -6.198 -6.960 1.00 0.00 O ATOM 0 H SER A 79 -8.929 -5.913 -7.574 1.00 0.00 H new ATOM 0 HA SER A 79 -11.151 -4.973 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 79 -11.181 -7.140 -7.901 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.826 -6.512 -6.304 1.00 0.00 H new ATOM 0 HG SER A 79 -13.074 -7.035 -6.562 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.924 -3.711 -5.837 1.00 0.00 N ATOM 1215 CA TYR A 80 -11.334 -2.598 -4.997 1.00 0.00 C ATOM 1216 C TYR A 80 -10.123 -1.788 -4.530 1.00 0.00 C ATOM 1217 O TYR A 80 -9.618 -1.997 -3.428 1.00 0.00 O ATOM 1218 CB TYR A 80 -12.017 -3.219 -3.777 1.00 0.00 C ATOM 1219 CG TYR A 80 -11.242 -4.383 -3.155 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -10.252 -4.134 -2.226 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.533 -5.681 -3.523 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.522 -5.229 -1.641 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.803 -6.775 -2.938 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.834 -6.495 -2.025 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.145 -7.529 -1.473 1.00 0.00 O ATOM 0 H TYR A 80 -10.327 -4.397 -5.375 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.991 -1.925 -5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -12.161 -2.447 -3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -13.008 -3.569 -4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.025 -3.118 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.308 -5.876 -4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.744 -5.048 -0.914 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.020 -7.795 -3.218 1.00 0.00 H new ATOM 0 HH TYR A 80 -9.070 -7.393 -0.505 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.692 -0.879 -5.393 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.549 -0.036 -5.083 1.00 0.00 C ATOM 1237 C LEU A 81 -8.503 1.135 -6.066 1.00 0.00 C ATOM 1238 O LEU A 81 -9.275 1.178 -7.023 1.00 0.00 O ATOM 1239 CB LEU A 81 -7.264 -0.865 -5.054 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.011 -0.180 -5.603 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.372 0.722 -4.545 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.021 -1.208 -6.154 1.00 0.00 C ATOM 0 H LEU A 81 -10.113 -0.708 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.649 0.389 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.070 -1.161 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.432 -1.780 -5.622 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.307 0.459 -6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.483 1.197 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.085 1.489 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.092 0.124 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.139 -0.695 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.725 -1.891 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.492 -1.772 -6.959 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.591 2.057 -5.797 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.434 3.226 -6.646 1.00 0.00 C ATOM 1256 C ALA A 82 -6.621 2.845 -7.885 1.00 0.00 C ATOM 1257 O ALA A 82 -6.126 1.724 -7.987 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.783 4.355 -5.846 1.00 0.00 C ATOM 0 H ALA A 82 -6.953 2.018 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.405 3.586 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.665 5.232 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.414 4.608 -4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.805 4.032 -5.490 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.508 3.801 -8.796 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.763 3.580 -10.024 1.00 0.00 C ATOM 1266 C ASP A 83 -4.332 3.161 -9.679 1.00 0.00 C ATOM 1267 O ASP A 83 -3.926 3.224 -8.520 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.692 4.857 -10.863 1.00 0.00 C ATOM 1269 CG ASP A 83 -6.582 4.864 -12.107 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -7.760 5.256 -11.960 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -6.065 4.476 -13.177 1.00 0.00 O ATOM 0 H ASP A 83 -6.920 4.730 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.274 2.803 -10.593 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.967 5.703 -10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.659 5.013 -11.173 1.00 0.00 H new