USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 563 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 33 LYS NZ :NH3+ -170:sc= 0.601 (180deg=0) USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0.548 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 82:sc= 0.215 USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000891) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -176:sc= -0.304 (180deg=-0.356) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 35 MET CE :methyl -177:sc= 0 (180deg=-0.0127) USER MOD Single : A 36 CYS SG : rot 30:sc= -0.148 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot -159:sc= 0.937 USER MOD Single : A 48 MET CE :methyl 169:sc= 0 (180deg=-0.116) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 138:sc= 1.23 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -111:sc= 1.04 (180deg=0.037) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.548 K(o=0.55,f=0) USER MOD Single : A 59 SER OG : rot 70:sc= 0.933 USER MOD Single : A 60 ASN : amide:sc= 0.415 K(o=0.42,f=-0.75) USER MOD Single : A 67 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 68 TYR OH : rot 130:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.19) USER MOD Single : A 77 SER OG : rot -22:sc= 0.268 USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 4 6.898 -2.407 -3.336 1.00 0.00 N ATOM 69 CA ILE A 4 5.764 -1.574 -3.795 1.00 0.00 C ATOM 70 C ILE A 4 5.643 -0.266 -2.998 1.00 0.00 C ATOM 71 O ILE A 4 5.350 0.787 -3.566 1.00 0.00 O ATOM 72 CB ILE A 4 4.456 -2.401 -3.815 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.273 -1.670 -4.488 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.018 -2.839 -2.404 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.494 -1.329 -5.967 1.00 0.00 C ATOM 0 HA ILE A 4 5.962 -1.265 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 4 4.704 -3.278 -4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.382 -2.291 -4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.074 -0.748 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.096 -3.416 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.798 -3.454 -1.955 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.850 -1.958 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.614 -0.818 -6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.364 -0.680 -6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.661 -2.247 -6.531 1.00 0.00 H new ATOM 87 N LYS A 5 5.968 -0.301 -1.704 1.00 0.00 N ATOM 88 CA LYS A 5 6.021 0.881 -0.835 1.00 0.00 C ATOM 89 C LYS A 5 7.164 1.817 -1.274 1.00 0.00 C ATOM 90 O LYS A 5 6.974 3.026 -1.417 1.00 0.00 O ATOM 91 CB LYS A 5 6.143 0.374 0.619 1.00 0.00 C ATOM 92 CG LYS A 5 5.587 1.314 1.705 1.00 0.00 C ATOM 93 CD LYS A 5 6.399 2.585 1.997 1.00 0.00 C ATOM 94 CE LYS A 5 7.818 2.272 2.498 1.00 0.00 C ATOM 95 NZ LYS A 5 8.547 3.507 2.896 1.00 0.00 N ATOM 0 H LYS A 5 6.206 -1.167 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 5 5.118 1.487 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.627 -0.583 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.196 0.186 0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.580 1.613 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.496 0.748 2.632 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.461 3.189 1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.877 3.183 2.744 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.762 1.593 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.375 1.757 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.500 3.256 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.623 4.144 2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.029 3.985 3.660 1.00 0.00 H new ATOM 109 N ASN A 6 8.332 1.245 -1.585 1.00 0.00 N ATOM 110 CA ASN A 6 9.468 1.959 -2.170 1.00 0.00 C ATOM 111 C ASN A 6 9.188 2.457 -3.603 1.00 0.00 C ATOM 112 O ASN A 6 9.681 3.517 -3.979 1.00 0.00 O ATOM 113 CB ASN A 6 10.698 1.039 -2.150 1.00 0.00 C ATOM 114 CG ASN A 6 11.962 1.756 -2.617 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.370 2.768 -2.058 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.615 1.260 -3.655 1.00 0.00 N ATOM 0 H ASN A 6 8.516 0.253 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 6 9.651 2.849 -1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.850 0.660 -1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.514 0.176 -2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.461 1.720 -3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.273 0.418 -4.118 1.00 0.00 H new ATOM 123 N PHE A 7 8.373 1.743 -4.391 1.00 0.00 N ATOM 124 CA PHE A 7 8.036 2.142 -5.761 1.00 0.00 C ATOM 125 C PHE A 7 7.168 3.403 -5.787 1.00 0.00 C ATOM 126 O PHE A 7 7.459 4.311 -6.565 1.00 0.00 O ATOM 127 CB PHE A 7 7.360 0.984 -6.503 1.00 0.00 C ATOM 128 CG PHE A 7 6.912 1.344 -7.906 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.845 1.374 -8.959 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.570 1.693 -8.150 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.436 1.752 -10.250 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.164 2.074 -9.440 1.00 0.00 C ATOM 133 CZ PHE A 7 6.096 2.099 -10.493 1.00 0.00 C ATOM 0 H PHE A 7 7.930 0.873 -4.095 1.00 0.00 H new ATOM 0 HA PHE A 7 8.964 2.386 -6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.052 0.143 -6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.496 0.650 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.875 1.107 -8.776 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.851 1.668 -7.344 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.153 1.776 -11.057 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.135 2.348 -9.623 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.783 2.384 -11.486 1.00 0.00 H new ATOM 143 N LEU A 8 6.162 3.509 -4.906 1.00 0.00 N ATOM 144 CA LEU A 8 5.380 4.741 -4.760 1.00 0.00 C ATOM 145 C LEU A 8 6.261 5.906 -4.290 1.00 0.00 C ATOM 146 O LEU A 8 6.178 7.005 -4.838 1.00 0.00 O ATOM 147 CB LEU A 8 4.201 4.491 -3.801 1.00 0.00 C ATOM 148 CG LEU A 8 3.260 5.705 -3.615 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.728 6.278 -4.939 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.069 5.296 -2.737 1.00 0.00 C ATOM 0 H LEU A 8 5.872 2.754 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 8 4.979 5.026 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.618 3.649 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.596 4.200 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 8 3.853 6.488 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.075 7.126 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.565 6.606 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.166 5.509 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.405 6.150 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.524 4.484 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.431 4.964 -1.764 1.00 0.00 H new ATOM 162 N TYR A 9 7.149 5.659 -3.323 1.00 0.00 N ATOM 163 CA TYR A 9 8.077 6.671 -2.810 1.00 0.00 C ATOM 164 C TYR A 9 9.063 7.174 -3.885 1.00 0.00 C ATOM 165 O TYR A 9 9.284 8.380 -4.010 1.00 0.00 O ATOM 166 CB TYR A 9 8.807 6.097 -1.589 1.00 0.00 C ATOM 167 CG TYR A 9 9.619 7.121 -0.820 1.00 0.00 C ATOM 168 CD1 TYR A 9 10.961 7.373 -1.172 1.00 0.00 C ATOM 169 CD2 TYR A 9 9.030 7.830 0.245 1.00 0.00 C ATOM 170 CE1 TYR A 9 11.708 8.338 -0.470 1.00 0.00 C ATOM 171 CE2 TYR A 9 9.772 8.794 0.952 1.00 0.00 C ATOM 172 CZ TYR A 9 11.114 9.055 0.594 1.00 0.00 C ATOM 173 OH TYR A 9 11.829 9.991 1.280 1.00 0.00 O ATOM 0 H TYR A 9 7.245 4.749 -2.872 1.00 0.00 H new ATOM 0 HA TYR A 9 7.504 7.549 -2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.074 5.650 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.469 5.296 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.417 6.824 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.004 7.633 0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.735 8.531 -0.744 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.316 9.334 1.768 1.00 0.00 H new ATOM 0 HH TYR A 9 11.265 10.387 1.977 1.00 0.00 H new ATOM 183 N ALA A 10 9.608 6.268 -4.704 1.00 0.00 N ATOM 184 CA ALA A 10 10.505 6.589 -5.816 1.00 0.00 C ATOM 185 C ALA A 10 9.782 7.318 -6.962 1.00 0.00 C ATOM 186 O ALA A 10 10.313 8.287 -7.499 1.00 0.00 O ATOM 187 CB ALA A 10 11.166 5.291 -6.297 1.00 0.00 C ATOM 0 H ALA A 10 9.432 5.268 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 10 11.269 7.283 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.839 5.511 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.732 4.846 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.398 4.593 -6.628 1.00 0.00 H new ATOM 193 N TRP A 11 8.551 6.911 -7.295 1.00 0.00 N ATOM 194 CA TRP A 11 7.701 7.592 -8.276 1.00 0.00 C ATOM 195 C TRP A 11 7.404 9.038 -7.854 1.00 0.00 C ATOM 196 O TRP A 11 7.568 9.964 -8.648 1.00 0.00 O ATOM 197 CB TRP A 11 6.406 6.788 -8.448 1.00 0.00 C ATOM 198 CG TRP A 11 5.398 7.418 -9.358 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.292 7.229 -10.693 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.337 8.355 -9.004 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.249 7.990 -11.189 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.638 8.719 -10.191 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.890 8.927 -7.794 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.571 9.626 -10.176 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.817 9.835 -7.767 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.162 10.192 -8.957 1.00 0.00 C ATOM 0 H TRP A 11 8.112 6.087 -6.884 1.00 0.00 H new ATOM 0 HA TRP A 11 8.226 7.646 -9.230 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.656 5.799 -8.833 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.951 6.643 -7.468 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.925 6.582 -11.282 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.967 8.009 -12.169 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.382 8.662 -6.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.067 9.888 -11.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.495 10.260 -6.828 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.346 10.900 -8.935 1.00 0.00 H new ATOM 217 N CYS A 12 7.048 9.241 -6.580 1.00 0.00 N ATOM 218 CA CYS A 12 6.895 10.571 -5.981 1.00 0.00 C ATOM 219 C CYS A 12 8.193 11.394 -6.079 1.00 0.00 C ATOM 220 O CYS A 12 8.158 12.550 -6.505 1.00 0.00 O ATOM 221 CB CYS A 12 6.457 10.414 -4.518 1.00 0.00 C ATOM 222 SG CYS A 12 4.751 9.811 -4.382 1.00 0.00 S ATOM 0 H CYS A 12 6.856 8.479 -5.930 1.00 0.00 H new ATOM 0 HA CYS A 12 6.132 11.118 -6.535 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.128 9.721 -4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.544 11.373 -4.008 1.00 0.00 H new ATOM 0 HG CYS A 12 4.736 8.518 -4.516 1.00 0.00 H new ATOM 228 N GLY A 13 9.344 10.789 -5.761 1.00 0.00 N ATOM 229 CA GLY A 13 10.660 11.446 -5.768 1.00 0.00 C ATOM 230 C GLY A 13 11.147 11.859 -7.161 1.00 0.00 C ATOM 231 O GLY A 13 11.863 12.852 -7.285 1.00 0.00 O ATOM 0 H GLY A 13 9.389 9.808 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.615 12.331 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.393 10.772 -5.324 1.00 0.00 H new ATOM 235 N LYS A 14 10.706 11.172 -8.223 1.00 0.00 N ATOM 236 CA LYS A 14 10.970 11.552 -9.624 1.00 0.00 C ATOM 237 C LYS A 14 10.053 12.691 -10.120 1.00 0.00 C ATOM 238 O LYS A 14 10.261 13.225 -11.212 1.00 0.00 O ATOM 239 CB LYS A 14 10.849 10.297 -10.515 1.00 0.00 C ATOM 240 CG LYS A 14 11.970 9.258 -10.319 1.00 0.00 C ATOM 241 CD LYS A 14 13.334 9.730 -10.851 1.00 0.00 C ATOM 242 CE LYS A 14 14.430 8.665 -10.677 1.00 0.00 C ATOM 243 NZ LYS A 14 14.244 7.495 -11.578 1.00 0.00 N ATOM 0 H LYS A 14 10.147 10.323 -8.136 1.00 0.00 H new ATOM 0 HA LYS A 14 11.984 11.948 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.890 9.818 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.840 10.609 -11.559 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.061 9.028 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.691 8.333 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.241 9.983 -11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.629 10.640 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.403 9.116 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.438 8.323 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.019 6.817 -11.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.336 7.034 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.247 7.815 -12.568 1.00 0.00 H new ATOM 257 N ARG A 15 9.061 13.073 -9.306 1.00 0.00 N ATOM 258 CA ARG A 15 8.052 14.111 -9.562 1.00 0.00 C ATOM 259 C ARG A 15 8.100 15.258 -8.527 1.00 0.00 C ATOM 260 O ARG A 15 7.198 16.094 -8.498 1.00 0.00 O ATOM 261 CB ARG A 15 6.666 13.440 -9.598 1.00 0.00 C ATOM 262 CG ARG A 15 6.528 12.390 -10.717 1.00 0.00 C ATOM 263 CD ARG A 15 5.151 11.720 -10.730 1.00 0.00 C ATOM 264 NE ARG A 15 4.067 12.665 -11.070 1.00 0.00 N ATOM 265 CZ ARG A 15 3.161 12.539 -12.035 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.151 11.554 -12.905 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.198 13.417 -12.166 1.00 0.00 N ATOM 0 H ARG A 15 8.933 12.638 -8.392 1.00 0.00 H new ATOM 0 HA ARG A 15 8.266 14.579 -10.523 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.475 12.964 -8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.902 14.206 -9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.705 12.867 -11.681 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.297 11.628 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.155 10.902 -11.450 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.954 11.282 -9.751 1.00 0.00 H new ATOM 0 HE ARG A 15 4.007 13.509 -10.500 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.867 10.829 -12.863 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.427 11.515 -13.622 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.138 14.207 -11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.508 13.310 -12.910 1.00 0.00 H new ATOM 281 N LYS A 16 9.127 15.293 -7.662 1.00 0.00 N ATOM 282 CA LYS A 16 9.344 16.295 -6.595 1.00 0.00 C ATOM 283 C LYS A 16 8.260 16.264 -5.486 1.00 0.00 C ATOM 284 O LYS A 16 7.928 17.292 -4.888 1.00 0.00 O ATOM 285 CB LYS A 16 9.583 17.702 -7.195 1.00 0.00 C ATOM 286 CG LYS A 16 10.760 17.744 -8.185 1.00 0.00 C ATOM 287 CD LYS A 16 11.009 19.174 -8.678 1.00 0.00 C ATOM 288 CE LYS A 16 12.185 19.194 -9.664 1.00 0.00 C ATOM 289 NZ LYS A 16 12.462 20.566 -10.163 1.00 0.00 N ATOM 0 H LYS A 16 9.867 14.591 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 16 10.259 16.015 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.677 18.033 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.771 18.408 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.659 17.359 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.550 17.094 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.112 19.562 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.223 19.827 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.076 18.798 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.965 18.538 -10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.263 20.539 -10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.621 20.935 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.697 21.186 -9.362 1.00 0.00 H new ATOM 303 N MET A 17 7.700 15.080 -5.214 1.00 0.00 N ATOM 304 CA MET A 17 6.658 14.806 -4.207 1.00 0.00 C ATOM 305 C MET A 17 7.142 13.792 -3.153 1.00 0.00 C ATOM 306 O MET A 17 8.188 13.156 -3.324 1.00 0.00 O ATOM 307 CB MET A 17 5.400 14.266 -4.916 1.00 0.00 C ATOM 308 CG MET A 17 4.804 15.265 -5.915 1.00 0.00 C ATOM 309 SD MET A 17 3.185 14.804 -6.591 1.00 0.00 S ATOM 310 CE MET A 17 3.566 13.184 -7.306 1.00 0.00 C ATOM 0 H MET A 17 7.975 14.236 -5.717 1.00 0.00 H new ATOM 0 HA MET A 17 6.426 15.736 -3.688 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.651 13.343 -5.439 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.648 14.014 -4.169 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.713 16.235 -5.425 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.503 15.390 -6.742 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.687 12.799 -7.824 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.390 13.283 -8.013 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.851 12.494 -6.512 1.00 0.00 H new ATOM 320 N THR A 18 6.327 13.586 -2.110 1.00 0.00 N ATOM 321 CA THR A 18 6.518 12.592 -1.036 1.00 0.00 C ATOM 322 C THR A 18 5.146 12.020 -0.642 1.00 0.00 C ATOM 323 O THR A 18 4.232 12.823 -0.423 1.00 0.00 O ATOM 324 CB THR A 18 7.189 13.240 0.189 1.00 0.00 C ATOM 325 OG1 THR A 18 8.375 13.897 -0.208 1.00 0.00 O ATOM 326 CG2 THR A 18 7.576 12.205 1.248 1.00 0.00 C ATOM 0 H THR A 18 5.475 14.132 -1.983 1.00 0.00 H new ATOM 0 HA THR A 18 7.166 11.793 -1.395 1.00 0.00 H new ATOM 0 HB THR A 18 6.466 13.936 0.613 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.798 14.309 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.046 12.708 2.093 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.683 11.681 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.275 11.488 0.818 1.00 0.00 H new ATOM 334 N PRO A 19 4.964 10.685 -0.548 1.00 0.00 N ATOM 335 CA PRO A 19 3.701 10.083 -0.130 1.00 0.00 C ATOM 336 C PRO A 19 3.535 10.171 1.393 1.00 0.00 C ATOM 337 O PRO A 19 4.509 10.098 2.144 1.00 0.00 O ATOM 338 CB PRO A 19 3.768 8.633 -0.614 1.00 0.00 C ATOM 339 CG PRO A 19 5.258 8.310 -0.522 1.00 0.00 C ATOM 340 CD PRO A 19 5.937 9.642 -0.849 1.00 0.00 C ATOM 0 HA PRO A 19 2.838 10.599 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.172 7.970 0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.395 8.530 -1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.530 7.955 0.472 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.543 7.531 -1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.842 9.772 -0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.235 9.679 -1.897 1.00 0.00 H new ATOM 348 N ALA A 20 2.285 10.310 1.847 1.00 0.00 N ATOM 349 CA ALA A 20 1.922 10.434 3.258 1.00 0.00 C ATOM 350 C ALA A 20 0.967 9.305 3.676 1.00 0.00 C ATOM 351 O ALA A 20 -0.147 9.203 3.163 1.00 0.00 O ATOM 352 CB ALA A 20 1.306 11.821 3.480 1.00 0.00 C ATOM 0 H ALA A 20 1.478 10.340 1.224 1.00 0.00 H new ATOM 0 HA ALA A 20 2.808 10.337 3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.028 11.932 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.032 12.589 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.419 11.929 2.856 1.00 0.00 H new ATOM 358 N TYR A 21 1.413 8.467 4.615 1.00 0.00 N ATOM 359 CA TYR A 21 0.684 7.297 5.126 1.00 0.00 C ATOM 360 C TYR A 21 -0.001 7.578 6.481 1.00 0.00 C ATOM 361 O TYR A 21 0.447 8.436 7.249 1.00 0.00 O ATOM 362 CB TYR A 21 1.653 6.107 5.269 1.00 0.00 C ATOM 363 CG TYR A 21 2.258 5.584 3.976 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.401 6.199 3.424 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.699 4.459 3.337 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.969 5.711 2.232 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.266 3.959 2.148 1.00 0.00 C ATOM 368 CZ TYR A 21 3.396 4.593 1.584 1.00 0.00 C ATOM 369 OH TYR A 21 3.924 4.136 0.414 1.00 0.00 O ATOM 0 H TYR A 21 2.324 8.586 5.058 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.101 7.060 4.408 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.465 6.402 5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.123 5.289 5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.844 7.050 3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.831 3.977 3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.842 6.190 1.813 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.837 3.092 1.668 1.00 0.00 H new ATOM 0 HH TYR A 21 4.814 4.524 0.283 1.00 0.00 H new ATOM 379 N GLU A 22 -1.047 6.815 6.808 1.00 0.00 N ATOM 380 CA GLU A 22 -1.713 6.810 8.119 1.00 0.00 C ATOM 381 C GLU A 22 -2.245 5.402 8.443 1.00 0.00 C ATOM 382 O GLU A 22 -2.569 4.639 7.533 1.00 0.00 O ATOM 383 CB GLU A 22 -2.811 7.891 8.151 1.00 0.00 C ATOM 384 CG GLU A 22 -3.522 8.056 9.503 1.00 0.00 C ATOM 385 CD GLU A 22 -2.547 8.415 10.635 1.00 0.00 C ATOM 386 OE1 GLU A 22 -1.927 7.489 11.209 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.400 9.619 10.956 1.00 0.00 O ATOM 0 H GLU A 22 -1.470 6.162 6.148 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.996 7.058 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.367 8.847 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.557 7.653 7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.281 8.834 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.041 7.131 9.753 1.00 0.00 H new ATOM 394 N ILE A 23 -2.304 5.037 9.730 1.00 0.00 N ATOM 395 CA ILE A 23 -2.559 3.666 10.225 1.00 0.00 C ATOM 396 C ILE A 23 -3.596 3.651 11.366 1.00 0.00 C ATOM 397 O ILE A 23 -3.649 4.577 12.182 1.00 0.00 O ATOM 398 CB ILE A 23 -1.209 3.013 10.649 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.289 2.835 9.415 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.391 1.662 11.377 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.086 2.228 9.709 1.00 0.00 C ATOM 0 H ILE A 23 -2.172 5.708 10.487 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.994 3.074 9.420 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.743 3.693 11.362 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.800 2.202 8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.146 3.808 8.945 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.415 1.259 11.646 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.983 1.812 12.280 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.904 0.961 10.719 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.653 2.145 8.782 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.625 2.868 10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.960 1.238 10.147 1.00 0.00 H new ATOM 413 N ARG A 24 -4.386 2.569 11.452 1.00 0.00 N ATOM 414 CA ARG A 24 -5.306 2.260 12.561 1.00 0.00 C ATOM 415 C ARG A 24 -5.192 0.787 12.968 1.00 0.00 C ATOM 416 O ARG A 24 -5.141 -0.096 12.112 1.00 0.00 O ATOM 417 CB ARG A 24 -6.754 2.575 12.151 1.00 0.00 C ATOM 418 CG ARG A 24 -7.695 2.694 13.363 1.00 0.00 C ATOM 419 CD ARG A 24 -9.167 2.651 12.935 1.00 0.00 C ATOM 420 NE ARG A 24 -10.079 3.014 14.035 1.00 0.00 N ATOM 421 CZ ARG A 24 -10.469 2.256 15.057 1.00 0.00 C ATOM 422 NH1 ARG A 24 -9.987 1.051 15.286 1.00 0.00 N ATOM 423 NH2 ARG A 24 -11.376 2.720 15.890 1.00 0.00 N ATOM 0 H ARG A 24 -4.403 1.856 10.722 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.031 2.879 13.415 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.774 3.507 11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.119 1.792 11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.494 1.883 14.063 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.495 3.627 13.891 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.320 3.333 12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.411 1.650 12.579 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.457 3.961 14.010 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.280 0.658 14.665 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.321 0.511 16.085 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.771 3.650 15.748 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.684 2.150 16.678 1.00 0.00 H new ATOM 561 N LYS A 33 -4.337 -6.682 14.313 1.00 0.00 N ATOM 562 CA LYS A 33 -4.162 -6.350 12.895 1.00 0.00 C ATOM 563 C LYS A 33 -4.183 -4.825 12.681 1.00 0.00 C ATOM 564 O LYS A 33 -4.597 -4.062 13.562 1.00 0.00 O ATOM 565 CB LYS A 33 -5.273 -7.049 12.088 1.00 0.00 C ATOM 566 CG LYS A 33 -5.025 -8.554 11.909 1.00 0.00 C ATOM 567 CD LYS A 33 -6.175 -9.209 11.131 1.00 0.00 C ATOM 568 CE LYS A 33 -5.945 -10.712 10.912 1.00 0.00 C ATOM 569 NZ LYS A 33 -4.890 -10.989 9.900 1.00 0.00 N ATOM 0 HA LYS A 33 -3.190 -6.703 12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.229 -6.901 12.591 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.353 -6.580 11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.086 -8.712 11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.924 -9.029 12.885 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.109 -9.061 11.673 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.286 -8.716 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.665 -11.174 11.859 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.879 -11.176 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.891 -12.002 9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.079 -10.435 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.961 -10.724 10.285 1.00 0.00 H new ATOM 583 N PHE A 34 -3.757 -4.371 11.502 1.00 0.00 N ATOM 584 CA PHE A 34 -3.578 -2.960 11.164 1.00 0.00 C ATOM 585 C PHE A 34 -4.145 -2.643 9.779 1.00 0.00 C ATOM 586 O PHE A 34 -3.860 -3.337 8.803 1.00 0.00 O ATOM 587 CB PHE A 34 -2.084 -2.603 11.259 1.00 0.00 C ATOM 588 CG PHE A 34 -1.492 -2.896 12.625 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.763 -2.039 13.708 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.753 -4.076 12.836 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.321 -2.373 15.000 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.304 -4.407 14.126 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.597 -3.560 15.210 1.00 0.00 C ATOM 0 H PHE A 34 -3.520 -4.996 10.732 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.133 -2.349 11.876 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.533 -3.162 10.503 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.953 -1.545 11.031 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.312 -1.123 13.546 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.531 -4.728 12.004 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.537 -1.718 15.831 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.265 -5.311 14.285 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.266 -3.821 16.204 1.00 0.00 H new ATOM 603 N MET A 35 -4.932 -1.571 9.706 1.00 0.00 N ATOM 604 CA MET A 35 -5.404 -0.941 8.469 1.00 0.00 C ATOM 605 C MET A 35 -4.527 0.274 8.165 1.00 0.00 C ATOM 606 O MET A 35 -3.994 0.902 9.082 1.00 0.00 O ATOM 607 CB MET A 35 -6.868 -0.496 8.602 1.00 0.00 C ATOM 608 CG MET A 35 -7.790 -1.610 9.105 1.00 0.00 C ATOM 609 SD MET A 35 -9.559 -1.326 8.818 1.00 0.00 S ATOM 610 CE MET A 35 -9.798 0.217 9.738 1.00 0.00 C ATOM 0 H MET A 35 -5.274 -1.096 10.541 1.00 0.00 H new ATOM 0 HA MET A 35 -5.340 -1.667 7.658 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.924 0.350 9.286 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.225 -0.147 7.633 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.504 -2.544 8.622 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.627 -1.741 10.175 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.850 0.501 9.706 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.492 0.074 10.774 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.196 1.006 9.288 1.00 0.00 H new ATOM 620 N CYS A 36 -4.394 0.632 6.892 1.00 0.00 N ATOM 621 CA CYS A 36 -3.546 1.727 6.436 1.00 0.00 C ATOM 622 C CYS A 36 -4.152 2.439 5.220 1.00 0.00 C ATOM 623 O CYS A 36 -4.805 1.814 4.382 1.00 0.00 O ATOM 624 CB CYS A 36 -2.149 1.154 6.154 1.00 0.00 C ATOM 625 SG CYS A 36 -0.995 2.486 5.724 1.00 0.00 S ATOM 0 H CYS A 36 -4.883 0.159 6.133 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.468 2.494 7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.785 0.618 7.030 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.202 0.433 5.338 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.356 3.583 6.322 1.00 0.00 H new ATOM 631 N GLU A 37 -3.904 3.742 5.120 1.00 0.00 N ATOM 632 CA GLU A 37 -4.198 4.567 3.960 1.00 0.00 C ATOM 633 C GLU A 37 -2.960 5.371 3.536 1.00 0.00 C ATOM 634 O GLU A 37 -2.083 5.644 4.359 1.00 0.00 O ATOM 635 CB GLU A 37 -5.404 5.475 4.240 1.00 0.00 C ATOM 636 CG GLU A 37 -5.187 6.514 5.347 1.00 0.00 C ATOM 637 CD GLU A 37 -6.401 7.443 5.460 1.00 0.00 C ATOM 638 OE1 GLU A 37 -6.490 8.407 4.664 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.268 7.219 6.336 1.00 0.00 O ATOM 0 H GLU A 37 -3.474 4.271 5.879 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.462 3.918 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.669 5.996 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.256 4.850 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.018 6.010 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.293 7.100 5.134 1.00 0.00 H new ATOM 646 N VAL A 38 -2.907 5.773 2.264 1.00 0.00 N ATOM 647 CA VAL A 38 -1.843 6.611 1.690 1.00 0.00 C ATOM 648 C VAL A 38 -2.417 7.656 0.729 1.00 0.00 C ATOM 649 O VAL A 38 -3.379 7.387 0.004 1.00 0.00 O ATOM 650 CB VAL A 38 -0.735 5.763 1.025 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.195 5.081 -0.270 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.523 6.596 0.721 1.00 0.00 C ATOM 0 H VAL A 38 -3.622 5.519 1.583 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.373 7.149 2.513 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.497 4.991 1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.372 4.501 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.033 4.418 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.507 5.838 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.276 5.961 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.265 7.411 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.920 7.007 1.649 1.00 0.00 H new ATOM 662 N ARG A 39 -1.818 8.850 0.745 1.00 0.00 N ATOM 663 CA ARG A 39 -2.220 10.032 -0.024 1.00 0.00 C ATOM 664 C ARG A 39 -0.989 10.747 -0.604 1.00 0.00 C ATOM 665 O ARG A 39 0.121 10.609 -0.086 1.00 0.00 O ATOM 666 CB ARG A 39 -3.022 10.991 0.881 1.00 0.00 C ATOM 667 CG ARG A 39 -4.292 10.349 1.465 1.00 0.00 C ATOM 668 CD ARG A 39 -5.111 11.355 2.279 1.00 0.00 C ATOM 669 NE ARG A 39 -6.232 10.682 2.957 1.00 0.00 N ATOM 670 CZ ARG A 39 -7.516 11.009 2.958 1.00 0.00 C ATOM 671 NH1 ARG A 39 -8.000 12.045 2.303 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.333 10.250 3.648 1.00 0.00 N ATOM 0 H ARG A 39 -0.997 9.028 1.324 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.849 9.714 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.384 11.329 1.698 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.300 11.875 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.904 9.951 0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.016 9.507 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.472 11.841 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.492 12.137 1.623 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.987 9.853 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.376 12.642 1.760 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.999 12.250 2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.972 9.443 4.157 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.329 10.466 3.675 1.00 0.00 H new ATOM 686 N VAL A 40 -1.194 11.529 -1.665 1.00 0.00 N ATOM 687 CA VAL A 40 -0.168 12.332 -2.358 1.00 0.00 C ATOM 688 C VAL A 40 -0.791 13.678 -2.747 1.00 0.00 C ATOM 689 O VAL A 40 -1.931 13.720 -3.211 1.00 0.00 O ATOM 690 CB VAL A 40 0.386 11.605 -3.612 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.490 12.425 -4.302 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.979 10.222 -3.281 1.00 0.00 C ATOM 0 H VAL A 40 -2.117 11.629 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 40 0.677 12.485 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.472 11.485 -4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.853 11.884 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.087 13.388 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.313 12.585 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.352 9.758 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.799 10.338 -2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.207 9.590 -2.842 1.00 0.00 H new ATOM 702 N GLU A 41 -0.059 14.775 -2.528 1.00 0.00 N ATOM 703 CA GLU A 41 -0.526 16.142 -2.790 1.00 0.00 C ATOM 704 C GLU A 41 -0.884 16.348 -4.275 1.00 0.00 C ATOM 705 O GLU A 41 -0.099 16.025 -5.170 1.00 0.00 O ATOM 706 CB GLU A 41 0.543 17.144 -2.321 1.00 0.00 C ATOM 707 CG GLU A 41 0.056 18.597 -2.387 1.00 0.00 C ATOM 708 CD GLU A 41 1.102 19.559 -1.806 1.00 0.00 C ATOM 709 OE1 GLU A 41 1.066 19.831 -0.582 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.962 20.059 -2.569 1.00 0.00 O ATOM 0 H GLU A 41 0.891 14.738 -2.158 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.443 16.314 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.833 16.908 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.435 17.035 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.155 18.866 -3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.879 18.696 -1.835 1.00 0.00 H new ATOM 717 N GLY A 42 -2.083 16.885 -4.534 1.00 0.00 N ATOM 718 CA GLY A 42 -2.616 17.130 -5.883 1.00 0.00 C ATOM 719 C GLY A 42 -3.497 16.002 -6.440 1.00 0.00 C ATOM 720 O GLY A 42 -4.001 16.137 -7.556 1.00 0.00 O ATOM 0 H GLY A 42 -2.726 17.168 -3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.197 18.052 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.781 17.291 -6.565 1.00 0.00 H new ATOM 724 N PHE A 43 -3.717 14.923 -5.677 1.00 0.00 N ATOM 725 CA PHE A 43 -4.570 13.786 -6.044 1.00 0.00 C ATOM 726 C PHE A 43 -5.723 13.629 -5.042 1.00 0.00 C ATOM 727 O PHE A 43 -5.513 13.639 -3.827 1.00 0.00 O ATOM 728 CB PHE A 43 -3.718 12.511 -6.130 1.00 0.00 C ATOM 729 CG PHE A 43 -2.625 12.578 -7.182 1.00 0.00 C ATOM 730 CD1 PHE A 43 -2.891 12.195 -8.512 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.352 13.076 -6.845 1.00 0.00 C ATOM 732 CE1 PHE A 43 -1.891 12.313 -9.494 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.357 13.200 -7.828 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.624 12.818 -9.154 1.00 0.00 C ATOM 0 H PHE A 43 -3.291 14.815 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.015 13.968 -7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.263 12.322 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.368 11.664 -6.348 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.865 11.810 -8.778 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.140 13.364 -5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.097 12.015 -10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.615 13.590 -7.565 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.142 12.912 -9.909 1.00 0.00 H new ATOM 744 N ASN A 44 -6.950 13.494 -5.554 1.00 0.00 N ATOM 745 CA ASN A 44 -8.175 13.442 -4.742 1.00 0.00 C ATOM 746 C ASN A 44 -8.410 12.071 -4.067 1.00 0.00 C ATOM 747 O ASN A 44 -9.067 11.993 -3.027 1.00 0.00 O ATOM 748 CB ASN A 44 -9.357 13.838 -5.644 1.00 0.00 C ATOM 749 CG ASN A 44 -10.679 13.919 -4.883 1.00 0.00 C ATOM 750 OD1 ASN A 44 -11.507 13.017 -4.939 1.00 0.00 O ATOM 751 ND2 ASN A 44 -10.915 14.998 -4.157 1.00 0.00 N ATOM 0 H ASN A 44 -7.125 13.417 -6.556 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.072 14.143 -3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.149 14.803 -6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.451 13.112 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.790 15.083 -3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.222 15.745 -4.114 1.00 0.00 H new ATOM 758 N TYR A 45 -7.857 10.992 -4.632 1.00 0.00 N ATOM 759 CA TYR A 45 -7.979 9.628 -4.104 1.00 0.00 C ATOM 760 C TYR A 45 -7.100 9.378 -2.862 1.00 0.00 C ATOM 761 O TYR A 45 -6.068 10.025 -2.665 1.00 0.00 O ATOM 762 CB TYR A 45 -7.651 8.633 -5.229 1.00 0.00 C ATOM 763 CG TYR A 45 -7.951 7.180 -4.904 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.290 6.759 -4.775 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.907 6.253 -4.718 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.584 5.423 -4.447 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.195 4.912 -4.396 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.538 4.496 -4.246 1.00 0.00 C ATOM 769 OH TYR A 45 -8.837 3.211 -3.906 1.00 0.00 O ATOM 0 H TYR A 45 -7.301 11.043 -5.486 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.005 9.486 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.213 8.915 -6.119 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.594 8.724 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.093 7.465 -4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.880 6.572 -4.823 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.612 5.106 -4.349 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.391 4.203 -4.264 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.055 2.792 -3.489 1.00 0.00 H new ATOM 779 N ALA A 46 -7.494 8.398 -2.046 1.00 0.00 N ATOM 780 CA ALA A 46 -6.708 7.853 -0.941 1.00 0.00 C ATOM 781 C ALA A 46 -6.700 6.321 -1.052 1.00 0.00 C ATOM 782 O ALA A 46 -7.748 5.682 -0.934 1.00 0.00 O ATOM 783 CB ALA A 46 -7.307 8.349 0.383 1.00 0.00 C ATOM 0 H ALA A 46 -8.404 7.946 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.673 8.191 -0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.729 7.949 1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.277 9.438 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.341 8.012 0.464 1.00 0.00 H new ATOM 789 N GLY A 47 -5.523 5.739 -1.307 1.00 0.00 N ATOM 790 CA GLY A 47 -5.352 4.291 -1.471 1.00 0.00 C ATOM 791 C GLY A 47 -5.285 3.605 -0.116 1.00 0.00 C ATOM 792 O GLY A 47 -4.732 4.178 0.823 1.00 0.00 O ATOM 0 H GLY A 47 -4.654 6.265 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.181 3.884 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.441 4.088 -2.033 1.00 0.00 H new ATOM 796 N MET A 48 -5.847 2.400 -0.006 1.00 0.00 N ATOM 797 CA MET A 48 -6.060 1.714 1.278 1.00 0.00 C ATOM 798 C MET A 48 -5.730 0.218 1.238 1.00 0.00 C ATOM 799 O MET A 48 -5.931 -0.457 0.226 1.00 0.00 O ATOM 800 CB MET A 48 -7.510 1.909 1.752 1.00 0.00 C ATOM 801 CG MET A 48 -7.848 3.380 2.027 1.00 0.00 C ATOM 802 SD MET A 48 -9.451 3.670 2.824 1.00 0.00 S ATOM 803 CE MET A 48 -9.102 3.048 4.492 1.00 0.00 C ATOM 0 H MET A 48 -6.172 1.864 -0.811 1.00 0.00 H new ATOM 0 HA MET A 48 -5.365 2.171 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.191 1.519 0.996 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.673 1.327 2.659 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.066 3.804 2.656 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.827 3.923 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 48 -9.914 3.329 5.162 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.014 1.962 4.464 1.00 0.00 H new ATOM 0 HE3 MET A 48 -8.168 3.479 4.853 1.00 0.00 H new ATOM 813 N GLY A 49 -5.235 -0.291 2.369 1.00 0.00 N ATOM 814 CA GLY A 49 -4.895 -1.698 2.599 1.00 0.00 C ATOM 815 C GLY A 49 -4.957 -2.091 4.074 1.00 0.00 C ATOM 816 O GLY A 49 -5.211 -1.259 4.943 1.00 0.00 O ATOM 0 H GLY A 49 -5.052 0.292 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.578 -2.329 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.892 -1.891 2.219 1.00 0.00 H new ATOM 820 N ASN A 50 -4.708 -3.367 4.363 1.00 0.00 N ATOM 821 CA ASN A 50 -4.652 -3.915 5.722 1.00 0.00 C ATOM 822 C ASN A 50 -3.793 -5.191 5.794 1.00 0.00 C ATOM 823 O ASN A 50 -3.581 -5.851 4.776 1.00 0.00 O ATOM 824 CB ASN A 50 -6.075 -4.154 6.266 1.00 0.00 C ATOM 825 CG ASN A 50 -6.802 -5.296 5.555 1.00 0.00 C ATOM 826 OD1 ASN A 50 -7.216 -5.184 4.408 1.00 0.00 O ATOM 827 ND2 ASN A 50 -6.975 -6.429 6.214 1.00 0.00 N ATOM 0 H ASN A 50 -4.535 -4.068 3.642 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.165 -3.177 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.018 -4.375 7.332 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.657 -3.238 6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.454 -7.211 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.630 -6.521 7.169 1.00 0.00 H new ATOM 834 N SER A 51 -3.311 -5.547 6.986 1.00 0.00 N ATOM 835 CA SER A 51 -2.509 -6.754 7.250 1.00 0.00 C ATOM 836 C SER A 51 -2.335 -7.016 8.761 1.00 0.00 C ATOM 837 O SER A 51 -2.823 -6.250 9.595 1.00 0.00 O ATOM 838 CB SER A 51 -1.137 -6.639 6.559 1.00 0.00 C ATOM 839 OG SER A 51 -0.501 -7.903 6.508 1.00 0.00 O ATOM 0 H SER A 51 -3.470 -4.989 7.824 1.00 0.00 H new ATOM 0 HA SER A 51 -3.049 -7.606 6.837 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.263 -6.248 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.509 -5.931 7.099 1.00 0.00 H new ATOM 0 HG SER A 51 -0.090 -8.027 5.627 1.00 0.00 H new ATOM 845 N THR A 52 -1.612 -8.083 9.126 1.00 0.00 N ATOM 846 CA THR A 52 -1.196 -8.403 10.507 1.00 0.00 C ATOM 847 C THR A 52 0.011 -7.565 10.956 1.00 0.00 C ATOM 848 O THR A 52 0.296 -7.491 12.147 1.00 0.00 O ATOM 849 CB THR A 52 -0.923 -9.911 10.632 1.00 0.00 C ATOM 850 OG1 THR A 52 -2.003 -10.619 10.056 1.00 0.00 O ATOM 851 CG2 THR A 52 -0.815 -10.405 12.076 1.00 0.00 C ATOM 0 H THR A 52 -1.287 -8.773 8.449 1.00 0.00 H new ATOM 0 HA THR A 52 -2.013 -8.141 11.180 1.00 0.00 H new ATOM 0 HB THR A 52 0.031 -10.083 10.133 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.839 -11.582 10.129 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.622 -11.478 12.080 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.003 -9.887 12.577 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.749 -10.202 12.601 1.00 0.00 H new ATOM 859 N ASN A 53 0.690 -6.886 10.023 1.00 0.00 N ATOM 860 CA ASN A 53 1.879 -6.060 10.273 1.00 0.00 C ATOM 861 C ASN A 53 1.787 -4.702 9.556 1.00 0.00 C ATOM 862 O ASN A 53 1.318 -4.609 8.419 1.00 0.00 O ATOM 863 CB ASN A 53 3.136 -6.819 9.820 1.00 0.00 C ATOM 864 CG ASN A 53 3.367 -8.104 10.611 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.776 -8.079 11.767 1.00 0.00 O ATOM 866 ND2 ASN A 53 3.130 -9.261 10.014 1.00 0.00 N ATOM 0 H ASN A 53 0.418 -6.897 9.040 1.00 0.00 H new ATOM 0 HA ASN A 53 1.938 -5.861 11.343 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.047 -7.061 8.761 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.005 -6.170 9.927 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.287 -10.135 10.515 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.790 -9.279 9.053 1.00 0.00 H new ATOM 873 N LYS A 54 2.282 -3.641 10.202 1.00 0.00 N ATOM 874 CA LYS A 54 2.183 -2.254 9.710 1.00 0.00 C ATOM 875 C LYS A 54 2.935 -2.004 8.389 1.00 0.00 C ATOM 876 O LYS A 54 2.512 -1.173 7.585 1.00 0.00 O ATOM 877 CB LYS A 54 2.692 -1.294 10.802 1.00 0.00 C ATOM 878 CG LYS A 54 1.795 -1.266 12.050 1.00 0.00 C ATOM 879 CD LYS A 54 2.258 -0.159 13.009 1.00 0.00 C ATOM 880 CE LYS A 54 1.448 -0.122 14.313 1.00 0.00 C ATOM 881 NZ LYS A 54 1.795 -1.244 15.226 1.00 0.00 N ATOM 0 H LYS A 54 2.770 -3.718 11.094 1.00 0.00 H new ATOM 0 HA LYS A 54 1.131 -2.070 9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.700 -1.588 11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.760 -0.288 10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.759 -1.095 11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.829 -2.232 12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.312 -0.307 13.246 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.176 0.806 12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.626 0.825 14.822 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.384 -0.163 14.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.994 -1.904 15.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.630 -1.744 14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.005 -0.869 16.173 1.00 0.00 H new ATOM 895 N LYS A 55 4.035 -2.721 8.135 1.00 0.00 N ATOM 896 CA LYS A 55 4.813 -2.604 6.887 1.00 0.00 C ATOM 897 C LYS A 55 4.042 -3.176 5.685 1.00 0.00 C ATOM 898 O LYS A 55 3.979 -2.553 4.625 1.00 0.00 O ATOM 899 CB LYS A 55 6.173 -3.311 7.053 1.00 0.00 C ATOM 900 CG LYS A 55 7.254 -2.501 7.792 1.00 0.00 C ATOM 901 CD LYS A 55 6.972 -2.250 9.282 1.00 0.00 C ATOM 902 CE LYS A 55 8.197 -1.602 9.944 1.00 0.00 C ATOM 903 NZ LYS A 55 7.979 -1.354 11.395 1.00 0.00 N ATOM 0 H LYS A 55 4.416 -3.404 8.790 1.00 0.00 H new ATOM 0 HA LYS A 55 4.983 -1.546 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.014 -4.246 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.551 -3.571 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.205 -3.025 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.371 -1.539 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.103 -1.602 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.734 -3.190 9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.065 -2.249 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.423 -0.660 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.829 -0.916 11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.167 -0.717 11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.789 -2.256 11.877 1.00 0.00 H new ATOM 917 N ASP A 56 3.385 -4.324 5.864 1.00 0.00 N ATOM 918 CA ASP A 56 2.588 -4.971 4.817 1.00 0.00 C ATOM 919 C ASP A 56 1.229 -4.277 4.614 1.00 0.00 C ATOM 920 O ASP A 56 0.737 -4.209 3.491 1.00 0.00 O ATOM 921 CB ASP A 56 2.441 -6.458 5.154 1.00 0.00 C ATOM 922 CG ASP A 56 1.855 -7.263 3.983 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.552 -7.416 2.952 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.718 -7.773 4.120 1.00 0.00 O ATOM 0 H ASP A 56 3.391 -4.836 6.746 1.00 0.00 H new ATOM 0 HA ASP A 56 3.106 -4.877 3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.416 -6.866 5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.798 -6.569 6.027 1.00 0.00 H new ATOM 929 N ALA A 57 0.668 -3.665 5.665 1.00 0.00 N ATOM 930 CA ALA A 57 -0.509 -2.796 5.556 1.00 0.00 C ATOM 931 C ALA A 57 -0.215 -1.535 4.717 1.00 0.00 C ATOM 932 O ALA A 57 -0.990 -1.208 3.817 1.00 0.00 O ATOM 933 CB ALA A 57 -1.012 -2.460 6.967 1.00 0.00 C ATOM 0 H ALA A 57 1.020 -3.760 6.618 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.299 -3.323 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.887 -1.814 6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.281 -3.380 7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.226 -1.947 7.521 1.00 0.00 H new ATOM 939 N GLN A 58 0.928 -0.876 4.952 1.00 0.00 N ATOM 940 CA GLN A 58 1.415 0.231 4.113 1.00 0.00 C ATOM 941 C GLN A 58 1.706 -0.227 2.681 1.00 0.00 C ATOM 942 O GLN A 58 1.376 0.485 1.737 1.00 0.00 O ATOM 943 CB GLN A 58 2.691 0.842 4.714 1.00 0.00 C ATOM 944 CG GLN A 58 2.416 1.738 5.927 1.00 0.00 C ATOM 945 CD GLN A 58 3.710 2.118 6.642 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.336 3.136 6.378 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.165 1.299 7.568 1.00 0.00 N ATOM 0 H GLN A 58 1.545 -1.096 5.734 1.00 0.00 H new ATOM 0 HA GLN A 58 0.624 0.981 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.367 0.039 5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.203 1.425 3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.898 2.641 5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.753 1.221 6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.650 0.448 7.794 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.033 1.515 8.059 1.00 0.00 H new ATOM 956 N SER A 59 2.267 -1.420 2.496 1.00 0.00 N ATOM 957 CA SER A 59 2.508 -1.986 1.159 1.00 0.00 C ATOM 958 C SER A 59 1.204 -2.228 0.386 1.00 0.00 C ATOM 959 O SER A 59 1.145 -1.984 -0.818 1.00 0.00 O ATOM 960 CB SER A 59 3.286 -3.300 1.265 1.00 0.00 C ATOM 961 OG SER A 59 4.542 -3.104 1.894 1.00 0.00 O ATOM 0 H SER A 59 2.568 -2.024 3.261 1.00 0.00 H new ATOM 0 HA SER A 59 3.095 -1.252 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.703 -4.026 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.436 -3.718 0.270 1.00 0.00 H new ATOM 0 HG SER A 59 4.405 -2.908 2.844 1.00 0.00 H new ATOM 967 N ASN A 60 0.135 -2.640 1.073 1.00 0.00 N ATOM 968 CA ASN A 60 -1.180 -2.851 0.464 1.00 0.00 C ATOM 969 C ASN A 60 -1.896 -1.516 0.173 1.00 0.00 C ATOM 970 O ASN A 60 -2.549 -1.388 -0.865 1.00 0.00 O ATOM 971 CB ASN A 60 -2.009 -3.805 1.347 1.00 0.00 C ATOM 972 CG ASN A 60 -1.446 -5.232 1.388 1.00 0.00 C ATOM 973 OD1 ASN A 60 -0.746 -5.684 0.487 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.751 -6.000 2.420 1.00 0.00 N ATOM 0 H ASN A 60 0.158 -2.838 2.073 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.054 -3.326 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.050 -3.408 2.361 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.033 -3.836 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.405 -6.959 2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.332 -5.634 3.174 1.00 0.00 H new ATOM 981 N ALA A 61 -1.708 -0.489 1.014 1.00 0.00 N ATOM 982 CA ALA A 61 -2.157 0.879 0.732 1.00 0.00 C ATOM 983 C ALA A 61 -1.427 1.485 -0.479 1.00 0.00 C ATOM 984 O ALA A 61 -2.067 2.053 -1.365 1.00 0.00 O ATOM 985 CB ALA A 61 -1.971 1.730 1.995 1.00 0.00 C ATOM 0 H ALA A 61 -1.237 -0.586 1.914 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.214 0.860 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.301 2.750 1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.561 1.308 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.918 1.738 2.277 1.00 0.00 H new ATOM 991 N ALA A 62 -0.104 1.303 -0.559 1.00 0.00 N ATOM 992 CA ALA A 62 0.719 1.727 -1.691 1.00 0.00 C ATOM 993 C ALA A 62 0.307 1.020 -2.987 1.00 0.00 C ATOM 994 O ALA A 62 0.069 1.689 -3.993 1.00 0.00 O ATOM 995 CB ALA A 62 2.190 1.474 -1.343 1.00 0.00 C ATOM 0 H ALA A 62 0.433 0.847 0.178 1.00 0.00 H new ATOM 0 HA ALA A 62 0.570 2.792 -1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.820 1.785 -2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.457 2.045 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.341 0.412 -1.150 1.00 0.00 H new ATOM 1001 N ARG A 63 0.140 -0.309 -2.952 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.351 -1.112 -4.079 1.00 0.00 C ATOM 1003 C ARG A 63 -1.669 -0.560 -4.635 1.00 0.00 C ATOM 1004 O ARG A 63 -1.799 -0.416 -5.848 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.504 -2.578 -3.627 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.968 -3.556 -4.721 1.00 0.00 C ATOM 1007 CD ARG A 63 0.058 -3.742 -5.846 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.434 -4.708 -6.844 1.00 0.00 N ATOM 1009 CZ ARG A 63 0.266 -5.242 -7.839 1.00 0.00 C ATOM 1010 NH1 ARG A 63 1.535 -4.952 -8.033 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.312 -6.087 -8.663 1.00 0.00 N ATOM 0 H ARG A 63 0.347 -0.866 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 63 0.375 -1.061 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.453 -2.923 -3.236 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.217 -2.615 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.178 -4.524 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.903 -3.195 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.256 -2.784 -6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.003 -4.091 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.409 -4.995 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.010 -4.299 -7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.043 -5.380 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.294 -6.331 -8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.222 -6.499 -9.428 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.616 -0.195 -3.771 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.918 0.342 -4.182 1.00 0.00 C ATOM 1027 C ASP A 64 -3.828 1.772 -4.753 1.00 0.00 C ATOM 1028 O ASP A 64 -4.510 2.081 -5.730 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.883 0.263 -2.993 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.306 0.703 -3.369 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.893 0.123 -4.314 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.828 1.626 -2.705 1.00 0.00 O ATOM 0 H ASP A 64 -2.503 -0.263 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.297 -0.268 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.909 -0.759 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.512 0.892 -2.184 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.940 2.620 -4.213 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.703 3.962 -4.755 1.00 0.00 C ATOM 1039 C PHE A 65 -1.914 3.931 -6.072 1.00 0.00 C ATOM 1040 O PHE A 65 -2.236 4.677 -6.991 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.018 4.856 -3.718 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.045 6.324 -4.106 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.178 7.109 -3.816 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.969 6.896 -4.808 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.234 8.454 -4.224 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -1.023 8.243 -5.210 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.156 9.022 -4.922 1.00 0.00 C ATOM 0 H PHE A 65 -2.372 2.396 -3.396 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.678 4.390 -4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.509 4.730 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.984 4.536 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.008 6.676 -3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.099 6.300 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.106 9.050 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.191 8.680 -5.742 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.198 10.054 -5.236 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.941 3.029 -6.218 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.241 2.788 -7.495 1.00 0.00 C ATOM 1059 C VAL A 66 -1.229 2.295 -8.553 1.00 0.00 C ATOM 1060 O VAL A 66 -1.241 2.801 -9.672 1.00 0.00 O ATOM 1061 CB VAL A 66 0.925 1.790 -7.322 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.529 1.339 -8.661 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.035 2.438 -6.484 1.00 0.00 C ATOM 0 H VAL A 66 -0.610 2.439 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 66 0.188 3.733 -7.830 1.00 0.00 H new ATOM 0 HB VAL A 66 0.515 0.911 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.344 0.639 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.761 0.851 -9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.912 2.207 -9.198 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.858 1.733 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.396 3.334 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.641 2.708 -5.504 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.126 1.379 -8.181 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.227 0.959 -9.060 1.00 0.00 C ATOM 1075 C ASN A 67 -4.179 2.116 -9.414 1.00 0.00 C ATOM 1076 O ASN A 67 -4.666 2.172 -10.539 1.00 0.00 O ATOM 1077 CB ASN A 67 -3.975 -0.249 -8.471 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.310 -1.560 -8.881 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -3.664 -2.167 -9.884 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -2.320 -2.021 -8.141 1.00 0.00 N ATOM 0 H ASN A 67 -2.114 0.911 -7.275 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.780 0.643 -10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.996 -0.173 -7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.010 -0.241 -8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.847 -2.886 -8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.028 -1.513 -7.306 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.425 3.088 -8.528 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.126 4.337 -8.885 1.00 0.00 C ATOM 1089 C TYR A 68 -4.330 5.170 -9.906 1.00 0.00 C ATOM 1090 O TYR A 68 -4.888 5.568 -10.927 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.476 5.132 -7.619 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.710 6.614 -7.850 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.915 7.069 -8.422 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.699 7.537 -7.519 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.117 8.444 -8.643 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.895 8.913 -7.739 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.112 9.373 -8.287 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.323 10.711 -8.448 1.00 0.00 O ATOM 0 H TYR A 68 -4.148 3.036 -7.548 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.062 4.076 -9.379 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.371 4.701 -7.171 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.669 5.013 -6.896 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.685 6.361 -8.691 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.769 7.187 -7.095 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.040 8.790 -9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.115 9.617 -7.489 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.098 11.180 -7.617 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.019 5.347 -9.705 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.143 6.065 -10.643 1.00 0.00 C ATOM 1110 C LEU A 69 -2.074 5.393 -12.025 1.00 0.00 C ATOM 1111 O LEU A 69 -2.021 6.095 -13.033 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.742 6.228 -10.040 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.634 7.101 -8.773 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.789 6.957 -8.217 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.965 8.573 -9.065 1.00 0.00 C ATOM 0 H LEU A 69 -2.531 4.994 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.580 7.051 -10.803 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.355 5.237 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.090 6.652 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.363 6.763 -8.036 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.892 7.566 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.980 5.912 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.508 7.290 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.878 9.155 -8.147 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.269 8.962 -9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.983 8.648 -9.446 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.148 4.062 -12.096 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.303 3.311 -13.363 1.00 0.00 C ATOM 1129 C VAL A 70 -3.682 3.556 -13.991 1.00 0.00 C ATOM 1130 O VAL A 70 -3.768 3.821 -15.189 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.061 1.793 -13.179 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.357 0.980 -14.451 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.607 1.512 -12.774 1.00 0.00 C ATOM 0 H VAL A 70 -2.102 3.461 -11.273 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.538 3.688 -14.042 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.750 1.483 -12.393 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.169 -0.076 -14.260 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.400 1.117 -14.736 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.712 1.323 -15.260 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.464 0.438 -12.651 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.064 1.881 -13.549 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.387 2.017 -11.833 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.752 3.534 -13.183 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.131 3.799 -13.633 1.00 0.00 C ATOM 1145 C ARG A 71 -6.347 5.232 -14.162 1.00 0.00 C ATOM 1146 O ARG A 71 -7.259 5.448 -14.961 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.138 3.465 -12.515 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.367 1.948 -12.370 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.252 1.592 -11.164 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.536 1.753 -9.882 1.00 0.00 N ATOM 1151 CZ ARG A 71 -8.043 1.572 -8.663 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -9.302 1.232 -8.482 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.292 1.723 -7.591 1.00 0.00 N ATOM 0 H ARG A 71 -4.686 3.329 -12.186 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.306 3.140 -14.484 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.775 3.868 -11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.088 3.955 -12.726 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.830 1.566 -13.280 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.404 1.448 -12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.138 2.226 -11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.597 0.562 -11.259 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.556 2.030 -9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.915 1.101 -9.286 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.664 1.100 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.310 1.981 -7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.693 1.581 -6.664 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.488 6.193 -13.794 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.462 7.566 -14.356 1.00 0.00 C ATOM 1169 C ILE A 72 -4.284 7.827 -15.319 1.00 0.00 C ATOM 1170 O ILE A 72 -4.085 8.962 -15.747 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.572 8.640 -13.245 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.327 8.698 -12.333 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.853 8.424 -12.417 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.199 10.012 -11.556 1.00 0.00 C ATOM 0 H ILE A 72 -4.773 6.042 -13.082 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.352 7.649 -14.979 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.627 9.607 -13.744 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.366 7.869 -11.626 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.434 8.557 -12.942 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.917 9.186 -11.640 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.724 8.496 -13.069 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.826 7.437 -11.956 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.303 9.983 -10.937 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.129 10.844 -12.257 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.075 10.146 -10.921 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.502 6.795 -15.667 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.410 6.808 -16.659 1.00 0.00 C ATOM 1188 C ASN A 73 -1.149 7.599 -16.228 1.00 0.00 C ATOM 1189 O ASN A 73 -0.286 7.894 -17.057 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.930 7.229 -18.050 1.00 0.00 C ATOM 1191 CG ASN A 73 -4.148 6.424 -18.497 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -4.072 5.224 -18.733 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -5.301 7.058 -18.630 1.00 0.00 N ATOM 0 H ASN A 73 -3.619 5.875 -15.241 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.060 5.778 -16.725 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.188 8.288 -18.031 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.132 7.108 -18.783 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.132 6.548 -18.930 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.359 8.057 -18.432 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.005 7.910 -14.933 1.00 0.00 N ATOM 1201 CA GLU A 74 0.162 8.592 -14.344 1.00 0.00 C ATOM 1202 C GLU A 74 1.294 7.622 -13.927 1.00 0.00 C ATOM 1203 O GLU A 74 2.393 8.057 -13.577 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.293 9.473 -13.168 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.158 10.668 -13.598 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.411 11.634 -14.532 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.680 12.120 -14.149 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.911 11.924 -15.644 1.00 0.00 O ATOM 0 H GLU A 74 -1.720 7.688 -14.241 1.00 0.00 H new ATOM 0 HA GLU A 74 0.597 9.223 -15.119 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.856 8.862 -12.463 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.586 9.842 -12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.053 10.301 -14.101 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.490 11.209 -12.712 1.00 0.00 H new ATOM 1215 N VAL A 75 1.043 6.312 -14.011 1.00 0.00 N ATOM 1216 CA VAL A 75 2.018 5.211 -13.897 1.00 0.00 C ATOM 1217 C VAL A 75 1.721 4.215 -15.023 1.00 0.00 C ATOM 1218 O VAL A 75 0.557 3.900 -15.271 1.00 0.00 O ATOM 1219 CB VAL A 75 1.926 4.492 -12.525 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.835 3.254 -12.456 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.363 5.376 -11.352 1.00 0.00 C ATOM 0 H VAL A 75 0.097 5.965 -14.170 1.00 0.00 H new ATOM 0 HA VAL A 75 3.027 5.616 -13.977 1.00 0.00 H new ATOM 0 HB VAL A 75 0.872 4.227 -12.442 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.737 2.784 -11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.543 2.544 -13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.871 3.554 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.275 4.815 -10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.399 5.683 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.726 6.259 -11.305 1.00 0.00 H new ATOM 1231 N LYS A 76 2.754 3.701 -15.700 1.00 0.00 N ATOM 1232 CA LYS A 76 2.608 2.578 -16.638 1.00 0.00 C ATOM 1233 C LYS A 76 2.710 1.242 -15.885 1.00 0.00 C ATOM 1234 O LYS A 76 3.671 1.016 -15.148 1.00 0.00 O ATOM 1235 CB LYS A 76 3.661 2.658 -17.756 1.00 0.00 C ATOM 1236 CG LYS A 76 3.563 3.950 -18.586 1.00 0.00 C ATOM 1237 CD LYS A 76 4.333 3.844 -19.916 1.00 0.00 C ATOM 1238 CE LYS A 76 3.445 3.514 -21.131 1.00 0.00 C ATOM 1239 NZ LYS A 76 2.739 2.211 -21.024 1.00 0.00 N ATOM 0 H LYS A 76 3.710 4.048 -15.615 1.00 0.00 H new ATOM 0 HA LYS A 76 1.624 2.640 -17.102 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.656 2.591 -17.316 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.546 1.799 -18.417 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.515 4.170 -18.791 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.957 4.784 -18.005 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.849 4.786 -20.101 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.099 3.075 -19.820 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.707 4.307 -21.256 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.062 3.509 -22.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.203 2.034 -21.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.434 1.450 -20.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.085 2.236 -20.215 1.00 0.00 H new ATOM 1253 N SER A 77 1.743 0.343 -16.072 1.00 0.00 N ATOM 1254 CA SER A 77 1.671 -0.940 -15.350 1.00 0.00 C ATOM 1255 C SER A 77 2.962 -1.777 -15.449 1.00 0.00 C ATOM 1256 O SER A 77 3.375 -2.403 -14.470 1.00 0.00 O ATOM 1257 CB SER A 77 0.462 -1.751 -15.844 1.00 0.00 C ATOM 1258 OG SER A 77 0.598 -2.206 -17.187 1.00 0.00 O ATOM 0 H SER A 77 0.979 0.480 -16.733 1.00 0.00 H new ATOM 0 HA SER A 77 1.551 -0.699 -14.294 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.318 -2.611 -15.190 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.435 -1.137 -15.765 1.00 0.00 H new ATOM 0 HG SER A 77 1.249 -1.645 -17.658 1.00 0.00 H new ATOM 1264 N GLU A 78 3.666 -1.691 -16.582 1.00 0.00 N ATOM 1265 CA GLU A 78 4.904 -2.420 -16.878 1.00 0.00 C ATOM 1266 C GLU A 78 6.054 -2.092 -15.904 1.00 0.00 C ATOM 1267 O GLU A 78 6.983 -2.887 -15.755 1.00 0.00 O ATOM 1268 CB GLU A 78 5.365 -2.137 -18.323 1.00 0.00 C ATOM 1269 CG GLU A 78 4.283 -2.297 -19.404 1.00 0.00 C ATOM 1270 CD GLU A 78 3.551 -0.976 -19.685 1.00 0.00 C ATOM 1271 OE1 GLU A 78 2.595 -0.639 -18.949 1.00 0.00 O ATOM 1272 OE2 GLU A 78 3.952 -0.249 -20.623 1.00 0.00 O ATOM 0 H GLU A 78 3.377 -1.086 -17.351 1.00 0.00 H new ATOM 0 HA GLU A 78 4.667 -3.477 -16.756 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.754 -1.120 -18.370 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.193 -2.806 -18.560 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.741 -2.661 -20.324 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.562 -3.051 -19.087 1.00 0.00 H new ATOM 1279 N GLU A 79 5.983 -0.946 -15.214 1.00 0.00 N ATOM 1280 CA GLU A 79 6.970 -0.509 -14.222 1.00 0.00 C ATOM 1281 C GLU A 79 6.666 -1.021 -12.801 1.00 0.00 C ATOM 1282 O GLU A 79 7.553 -1.021 -11.946 1.00 0.00 O ATOM 1283 CB GLU A 79 7.015 1.028 -14.193 1.00 0.00 C ATOM 1284 CG GLU A 79 7.435 1.684 -15.518 1.00 0.00 C ATOM 1285 CD GLU A 79 8.857 1.287 -15.947 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.834 1.715 -15.287 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.010 0.564 -16.960 1.00 0.00 O ATOM 0 H GLU A 79 5.218 -0.282 -15.334 1.00 0.00 H new ATOM 0 HA GLU A 79 7.929 -0.930 -14.524 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.029 1.401 -13.915 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.707 1.343 -13.412 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.731 1.400 -16.300 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.379 2.768 -15.417 1.00 0.00 H new ATOM 1294 N VAL A 80 5.431 -1.458 -12.534 1.00 0.00 N ATOM 1295 CA VAL A 80 4.935 -1.774 -11.182 1.00 0.00 C ATOM 1296 C VAL A 80 5.496 -3.132 -10.711 1.00 0.00 C ATOM 1297 O VAL A 80 5.337 -4.119 -11.437 1.00 0.00 O ATOM 1298 CB VAL A 80 3.387 -1.777 -11.129 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.868 -2.065 -9.710 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.805 -0.430 -11.593 1.00 0.00 C ATOM 0 H VAL A 80 4.732 -1.606 -13.262 1.00 0.00 H new ATOM 0 HA VAL A 80 5.285 -0.993 -10.507 1.00 0.00 H new ATOM 0 HB VAL A 80 3.061 -2.569 -11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.778 -2.059 -9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.224 -3.042 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.233 -1.299 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.717 -0.467 -11.543 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.171 0.367 -10.945 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.115 -0.234 -12.620 1.00 0.00 H new ATOM 1310 N PRO A 81 6.130 -3.218 -9.521 1.00 0.00 N ATOM 1311 CA PRO A 81 6.698 -4.462 -9.007 1.00 0.00 C ATOM 1312 C PRO A 81 5.601 -5.432 -8.546 1.00 0.00 C ATOM 1313 O PRO A 81 4.577 -5.023 -7.999 1.00 0.00 O ATOM 1314 CB PRO A 81 7.616 -4.048 -7.853 1.00 0.00 C ATOM 1315 CG PRO A 81 6.965 -2.772 -7.330 1.00 0.00 C ATOM 1316 CD PRO A 81 6.414 -2.124 -8.601 1.00 0.00 C ATOM 0 HA PRO A 81 7.251 -5.000 -9.777 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.668 -4.818 -7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.636 -3.869 -8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.175 -2.987 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.686 -2.127 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.512 -1.551 -8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.138 -1.431 -9.031 1.00 0.00 H new