USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 393 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 7 LYS NZ :NH3+ -131:sc= -1.38 (180deg=-3.54!) USER MOD Single : A 9 ASN : amide:sc= -5.2! C(o=-5.2!,f=-6.4!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.255 (180deg=-1.53!) USER MOD Single : A 21 THR OG1 : rot 176:sc= -0.469 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -152:sc= 0.565 (180deg=-0.527!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -4.61! K(o=-4.6!,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.202 9.971 0.207 1.00 0.00 N ATOM 66 CA CYS A 5 -6.707 10.200 1.596 1.00 0.00 C ATOM 67 C CYS A 5 -5.913 11.505 1.667 1.00 0.00 C ATOM 68 O CYS A 5 -6.068 12.380 0.838 1.00 0.00 O ATOM 69 CB CYS A 5 -5.812 9.034 2.008 1.00 0.00 C ATOM 70 SG CYS A 5 -6.404 7.362 1.641 1.00 0.00 S ATOM 0 HA CYS A 5 -7.559 10.270 2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -4.845 9.163 1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.641 9.103 3.082 1.00 0.00 H new ATOM 75 N THR A 6 -5.080 11.605 2.660 1.00 0.00 N ATOM 76 CA THR A 6 -4.269 12.846 2.822 1.00 0.00 C ATOM 77 C THR A 6 -3.017 12.811 1.931 1.00 0.00 C ATOM 78 O THR A 6 -3.019 13.326 0.832 1.00 0.00 O ATOM 79 CB THR A 6 -3.844 12.973 4.285 1.00 0.00 C ATOM 80 OG1 THR A 6 -3.746 11.630 4.752 1.00 0.00 O ATOM 81 CG2 THR A 6 -4.939 13.615 5.133 1.00 0.00 C ATOM 0 H THR A 6 -4.923 10.886 3.366 1.00 0.00 H new ATOM 0 HA THR A 6 -4.877 13.701 2.524 1.00 0.00 H new ATOM 0 HB THR A 6 -2.933 13.567 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.473 11.630 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.602 13.689 6.167 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.158 14.612 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.840 13.003 5.088 1.00 0.00 H new ATOM 89 N LYS A 7 -1.975 12.198 2.430 1.00 0.00 N ATOM 90 CA LYS A 7 -0.705 12.138 1.640 1.00 0.00 C ATOM 91 C LYS A 7 -0.774 11.008 0.579 1.00 0.00 C ATOM 92 O LYS A 7 -1.550 10.082 0.715 1.00 0.00 O ATOM 93 CB LYS A 7 0.448 11.865 2.610 1.00 0.00 C ATOM 94 CG LYS A 7 1.109 13.195 2.992 1.00 0.00 C ATOM 95 CD LYS A 7 1.954 12.994 4.252 1.00 0.00 C ATOM 96 CE LYS A 7 3.027 11.937 3.974 1.00 0.00 C ATOM 97 NZ LYS A 7 2.486 10.570 4.214 1.00 0.00 N ATOM 0 H LYS A 7 -1.946 11.740 3.341 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.552 13.083 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.077 11.360 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.179 11.201 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.734 13.552 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.348 13.956 3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.420 13.934 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.322 12.679 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.372 12.022 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.891 12.110 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.147 10.035 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.565 10.640 4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.367 10.079 3.305 1.00 0.00 H new ATOM 111 N PRO A 8 0.050 11.109 -0.468 1.00 0.00 N ATOM 112 CA PRO A 8 0.082 10.087 -1.530 1.00 0.00 C ATOM 113 C PRO A 8 0.345 8.692 -0.948 1.00 0.00 C ATOM 114 O PRO A 8 0.380 8.515 0.253 1.00 0.00 O ATOM 115 CB PRO A 8 1.224 10.503 -2.463 1.00 0.00 C ATOM 116 CG PRO A 8 1.826 11.827 -1.904 1.00 0.00 C ATOM 117 CD PRO A 8 0.996 12.227 -0.671 1.00 0.00 C ATOM 0 HA PRO A 8 -0.872 10.028 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.985 9.724 -2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.856 10.648 -3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.873 11.688 -1.633 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.794 12.612 -2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.631 12.370 0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.468 13.166 -0.838 1.00 0.00 H new ATOM 125 N ASN A 9 0.517 7.732 -1.821 1.00 0.00 N ATOM 126 CA ASN A 9 0.769 6.336 -1.348 1.00 0.00 C ATOM 127 C ASN A 9 -0.465 5.817 -0.606 1.00 0.00 C ATOM 128 O ASN A 9 -1.229 5.043 -1.146 1.00 0.00 O ATOM 129 CB ASN A 9 2.000 6.316 -0.428 1.00 0.00 C ATOM 130 CG ASN A 9 3.061 7.275 -0.974 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.959 6.880 -1.696 1.00 0.00 O ATOM 132 ND2 ASN A 9 2.999 8.538 -0.653 1.00 0.00 N ATOM 0 H ASN A 9 0.494 7.852 -2.834 1.00 0.00 H new ATOM 0 HA ASN A 9 0.963 5.688 -2.203 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.716 6.608 0.583 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.405 5.306 -0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.700 9.189 -1.006 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.249 8.874 -0.049 1.00 0.00 H new ATOM 139 N GLU A 10 -0.640 6.246 0.611 1.00 0.00 N ATOM 140 CA GLU A 10 -1.840 5.794 1.359 1.00 0.00 C ATOM 141 C GLU A 10 -3.084 6.293 0.627 1.00 0.00 C ATOM 142 O GLU A 10 -3.469 7.431 0.778 1.00 0.00 O ATOM 143 CB GLU A 10 -1.806 6.372 2.774 1.00 0.00 C ATOM 144 CG GLU A 10 -1.062 5.403 3.695 1.00 0.00 C ATOM 145 CD GLU A 10 -0.959 6.012 5.094 1.00 0.00 C ATOM 146 OE1 GLU A 10 -0.846 7.226 5.148 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.999 5.230 6.028 1.00 0.00 O ATOM 0 H GLU A 10 -0.016 6.879 1.112 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.857 4.706 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.311 7.343 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.821 6.533 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.588 4.449 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.066 5.200 3.300 1.00 0.00 H new ATOM 154 N GLN A 11 -3.678 5.428 -0.158 1.00 0.00 N ATOM 155 CA GLN A 11 -4.884 5.842 -0.937 1.00 0.00 C ATOM 156 C GLN A 11 -6.055 4.914 -0.634 1.00 0.00 C ATOM 157 O GLN A 11 -5.877 3.833 -0.111 1.00 0.00 O ATOM 158 CB GLN A 11 -4.561 5.780 -2.428 1.00 0.00 C ATOM 159 CG GLN A 11 -5.199 6.983 -3.129 1.00 0.00 C ATOM 160 CD GLN A 11 -4.998 6.854 -4.640 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.866 6.397 -5.356 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.869 7.244 -5.164 1.00 0.00 N ATOM 0 H GLN A 11 -3.382 4.461 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.159 6.859 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.482 5.785 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.938 4.851 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.262 7.033 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.750 7.909 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.136 7.629 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.719 7.164 -6.170 1.00 0.00 H new ATOM 171 N TRP A 12 -7.225 5.357 -0.973 1.00 0.00 N ATOM 172 CA TRP A 12 -8.423 4.522 -0.713 1.00 0.00 C ATOM 173 C TRP A 12 -8.359 3.226 -1.501 1.00 0.00 C ATOM 174 O TRP A 12 -7.936 3.211 -2.641 1.00 0.00 O ATOM 175 CB TRP A 12 -9.663 5.285 -1.139 1.00 0.00 C ATOM 176 CG TRP A 12 -10.878 4.361 -1.023 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.432 3.710 -2.045 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.546 4.148 0.083 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.490 3.096 -1.485 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.631 3.324 -0.139 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.282 4.610 1.353 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.457 2.975 0.903 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.108 4.260 2.401 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.198 3.441 2.175 1.00 0.00 C ATOM 0 H TRP A 12 -7.405 6.257 -1.417 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.458 4.290 0.352 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.798 6.166 -0.511 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.555 5.638 -2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.109 3.682 -3.075 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.134 2.510 -2.016 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.428 5.247 1.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.309 2.336 0.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -11.903 4.625 3.396 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.846 3.166 2.994 1.00 0.00 H new ATOM 195 N THR A 13 -8.778 2.162 -0.878 1.00 0.00 N ATOM 196 CA THR A 13 -8.778 0.860 -1.590 1.00 0.00 C ATOM 197 C THR A 13 -10.018 0.055 -1.193 1.00 0.00 C ATOM 198 O THR A 13 -10.251 -0.193 -0.031 1.00 0.00 O ATOM 199 CB THR A 13 -7.512 0.076 -1.230 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.849 -1.286 -1.466 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.200 0.162 0.262 1.00 0.00 C ATOM 0 H THR A 13 -9.117 2.138 0.084 1.00 0.00 H new ATOM 0 HA THR A 13 -8.796 1.037 -2.665 1.00 0.00 H new ATOM 0 HB THR A 13 -6.665 0.460 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.079 -1.855 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.295 -0.406 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.049 1.204 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.032 -0.250 0.832 1.00 0.00 H new ATOM 209 N LYS A 14 -10.790 -0.330 -2.170 1.00 0.00 N ATOM 210 CA LYS A 14 -12.019 -1.116 -1.861 1.00 0.00 C ATOM 211 C LYS A 14 -11.642 -2.550 -1.471 1.00 0.00 C ATOM 212 O LYS A 14 -12.415 -3.251 -0.849 1.00 0.00 O ATOM 213 CB LYS A 14 -12.922 -1.139 -3.092 1.00 0.00 C ATOM 214 CG LYS A 14 -13.070 0.285 -3.625 1.00 0.00 C ATOM 215 CD LYS A 14 -14.345 0.382 -4.464 1.00 0.00 C ATOM 216 CE LYS A 14 -14.102 1.340 -5.634 1.00 0.00 C ATOM 217 NZ LYS A 14 -13.263 2.492 -5.199 1.00 0.00 N ATOM 0 H LYS A 14 -10.627 -0.138 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.545 -0.651 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.497 -1.786 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.899 -1.549 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.111 0.993 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.203 0.551 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.626 -0.603 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.173 0.739 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.609 0.810 -6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.055 1.702 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.458 3.313 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.487 2.731 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.258 2.237 -5.274 1.00 0.00 H new ATOM 231 N CYS A 15 -10.456 -2.953 -1.849 1.00 0.00 N ATOM 232 CA CYS A 15 -10.001 -4.333 -1.510 1.00 0.00 C ATOM 233 C CYS A 15 -8.521 -4.318 -1.108 1.00 0.00 C ATOM 234 O CYS A 15 -7.653 -4.547 -1.927 1.00 0.00 O ATOM 235 CB CYS A 15 -10.188 -5.234 -2.728 1.00 0.00 C ATOM 236 SG CYS A 15 -9.058 -6.638 -2.907 1.00 0.00 S ATOM 0 H CYS A 15 -9.787 -2.390 -2.374 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.590 -4.710 -0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.206 -5.622 -2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.101 -4.615 -3.621 1.00 0.00 H new ATOM 241 N GLY A 16 -8.269 -4.049 0.142 1.00 0.00 N ATOM 242 CA GLY A 16 -6.854 -4.015 0.612 1.00 0.00 C ATOM 243 C GLY A 16 -6.333 -5.438 0.827 1.00 0.00 C ATOM 244 O GLY A 16 -6.768 -6.362 0.170 1.00 0.00 O ATOM 0 H GLY A 16 -8.973 -3.853 0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.233 -3.499 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.786 -3.451 1.542 1.00 0.00 H new ATOM 248 N GLY A 17 -5.410 -5.578 1.744 1.00 0.00 N ATOM 249 CA GLY A 17 -4.843 -6.933 2.024 1.00 0.00 C ATOM 250 C GLY A 17 -3.319 -6.865 2.109 1.00 0.00 C ATOM 251 O GLY A 17 -2.764 -6.615 3.161 1.00 0.00 O ATOM 0 H GLY A 17 -5.026 -4.819 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.249 -7.318 2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.139 -7.628 1.238 1.00 0.00 H new ATOM 255 N CYS A 18 -2.673 -7.090 0.996 1.00 0.00 N ATOM 256 CA CYS A 18 -1.182 -7.044 0.986 1.00 0.00 C ATOM 257 C CYS A 18 -0.683 -6.388 -0.302 1.00 0.00 C ATOM 258 O CYS A 18 -1.389 -6.347 -1.291 1.00 0.00 O ATOM 259 CB CYS A 18 -0.632 -8.465 1.070 1.00 0.00 C ATOM 260 SG CYS A 18 -1.254 -9.529 2.393 1.00 0.00 S ATOM 0 H CYS A 18 -3.110 -7.302 0.099 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.840 -6.460 1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.833 -8.959 0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.451 -8.400 1.173 1.00 0.00 H new ATOM 265 N GLU A 19 0.525 -5.891 -0.261 1.00 0.00 N ATOM 266 CA GLU A 19 1.098 -5.235 -1.474 1.00 0.00 C ATOM 267 C GLU A 19 2.552 -5.675 -1.671 1.00 0.00 C ATOM 268 O GLU A 19 2.909 -6.789 -1.345 1.00 0.00 O ATOM 269 CB GLU A 19 1.033 -3.717 -1.299 1.00 0.00 C ATOM 270 CG GLU A 19 -0.418 -3.302 -1.056 1.00 0.00 C ATOM 271 CD GLU A 19 -0.682 -3.234 0.450 1.00 0.00 C ATOM 272 OE1 GLU A 19 -0.045 -4.006 1.147 1.00 0.00 O ATOM 273 OE2 GLU A 19 -1.504 -2.411 0.819 1.00 0.00 O ATOM 0 H GLU A 19 1.137 -5.910 0.555 1.00 0.00 H new ATOM 0 HA GLU A 19 0.523 -5.528 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.658 -3.408 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.423 -3.219 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.612 -2.332 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.095 -4.017 -1.523 1.00 0.00 H new ATOM 280 N GLY A 20 3.359 -4.788 -2.193 1.00 0.00 N ATOM 281 CA GLY A 20 4.788 -5.138 -2.427 1.00 0.00 C ATOM 282 C GLY A 20 5.692 -4.455 -1.406 1.00 0.00 C ATOM 283 O GLY A 20 5.237 -3.689 -0.579 1.00 0.00 O ATOM 0 H GLY A 20 3.091 -3.842 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.916 -6.219 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.079 -4.839 -3.434 1.00 0.00 H new ATOM 287 N THR A 21 6.959 -4.754 -1.492 1.00 0.00 N ATOM 288 CA THR A 21 7.938 -4.134 -0.552 1.00 0.00 C ATOM 289 C THR A 21 9.145 -3.634 -1.346 1.00 0.00 C ATOM 290 O THR A 21 9.162 -3.711 -2.557 1.00 0.00 O ATOM 291 CB THR A 21 8.392 -5.182 0.468 1.00 0.00 C ATOM 292 OG1 THR A 21 8.712 -6.330 -0.307 1.00 0.00 O ATOM 293 CG2 THR A 21 7.244 -5.614 1.377 1.00 0.00 C ATOM 0 H THR A 21 7.360 -5.400 -2.172 1.00 0.00 H new ATOM 0 HA THR A 21 7.473 -3.298 -0.029 1.00 0.00 H new ATOM 0 HB THR A 21 9.204 -4.782 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.076 -7.028 0.277 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.603 -6.358 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.864 -4.748 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.445 -6.044 0.774 1.00 0.00 H new ATOM 301 N CYS A 22 10.132 -3.139 -0.657 1.00 0.00 N ATOM 302 CA CYS A 22 11.331 -2.637 -1.384 1.00 0.00 C ATOM 303 C CYS A 22 12.177 -3.819 -1.857 1.00 0.00 C ATOM 304 O CYS A 22 13.291 -3.650 -2.313 1.00 0.00 O ATOM 305 CB CYS A 22 12.155 -1.750 -0.452 1.00 0.00 C ATOM 306 SG CYS A 22 13.590 -0.922 -1.164 1.00 0.00 S ATOM 0 H CYS A 22 10.163 -3.060 0.359 1.00 0.00 H new ATOM 0 HA CYS A 22 11.015 -2.055 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.495 -0.987 -0.039 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.497 -2.362 0.383 1.00 0.00 H new ATOM 311 N ALA A 23 11.623 -4.997 -1.737 1.00 0.00 N ATOM 312 CA ALA A 23 12.376 -6.210 -2.169 1.00 0.00 C ATOM 313 C ALA A 23 11.427 -7.257 -2.782 1.00 0.00 C ATOM 314 O ALA A 23 11.866 -8.280 -3.268 1.00 0.00 O ATOM 315 CB ALA A 23 13.077 -6.809 -0.954 1.00 0.00 C ATOM 0 H ALA A 23 10.690 -5.171 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 23 13.105 -5.924 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.632 -7.697 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.766 -6.076 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.335 -7.082 -0.204 1.00 0.00 H new ATOM 321 N GLN A 24 10.147 -6.978 -2.750 1.00 0.00 N ATOM 322 CA GLN A 24 9.166 -7.953 -3.322 1.00 0.00 C ATOM 323 C GLN A 24 7.939 -7.211 -3.863 1.00 0.00 C ATOM 324 O GLN A 24 6.973 -7.008 -3.159 1.00 0.00 O ATOM 325 CB GLN A 24 8.728 -8.930 -2.229 1.00 0.00 C ATOM 326 CG GLN A 24 9.575 -10.202 -2.316 1.00 0.00 C ATOM 327 CD GLN A 24 9.158 -11.165 -1.201 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.246 -10.853 -0.031 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.698 -12.344 -1.523 1.00 0.00 N ATOM 0 H GLN A 24 9.742 -6.128 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 24 9.640 -8.499 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.842 -8.470 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.672 -9.174 -2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.443 -10.675 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.633 -9.955 -2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.622 -12.611 -2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.415 -12.998 -0.793 1.00 0.00 H new ATOM 338 N LYS A 25 8.009 -6.825 -5.106 1.00 0.00 N ATOM 339 CA LYS A 25 6.859 -6.092 -5.717 1.00 0.00 C ATOM 340 C LYS A 25 5.537 -6.800 -5.376 1.00 0.00 C ATOM 341 O LYS A 25 4.513 -6.165 -5.230 1.00 0.00 O ATOM 342 CB LYS A 25 7.053 -6.052 -7.238 1.00 0.00 C ATOM 343 CG LYS A 25 6.434 -4.765 -7.810 1.00 0.00 C ATOM 344 CD LYS A 25 4.919 -4.761 -7.570 1.00 0.00 C ATOM 345 CE LYS A 25 4.231 -3.992 -8.702 1.00 0.00 C ATOM 346 NZ LYS A 25 2.758 -3.965 -8.493 1.00 0.00 N ATOM 0 H LYS A 25 8.805 -6.982 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 25 6.819 -5.077 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.115 -6.094 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.588 -6.925 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.888 -3.893 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.642 -4.695 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.543 -5.783 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.692 -4.298 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.617 -2.974 -8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.460 -4.460 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.278 -3.891 -9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.459 -4.839 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.506 -3.146 -7.904 1.00 0.00 H new ATOM 360 N ILE A 26 5.590 -8.107 -5.265 1.00 0.00 N ATOM 361 CA ILE A 26 4.348 -8.874 -4.923 1.00 0.00 C ATOM 362 C ILE A 26 4.633 -9.825 -3.755 1.00 0.00 C ATOM 363 O ILE A 26 5.467 -10.703 -3.858 1.00 0.00 O ATOM 364 CB ILE A 26 3.896 -9.700 -6.137 1.00 0.00 C ATOM 365 CG1 ILE A 26 3.768 -8.799 -7.393 1.00 0.00 C ATOM 366 CG2 ILE A 26 2.545 -10.355 -5.822 1.00 0.00 C ATOM 367 CD1 ILE A 26 2.441 -8.017 -7.381 1.00 0.00 C ATOM 0 H ILE A 26 6.430 -8.671 -5.395 1.00 0.00 H new ATOM 0 HA ILE A 26 3.564 -8.170 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 26 4.640 -10.469 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.605 -8.101 -7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.824 -9.413 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.217 -10.943 -6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.650 -11.006 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.807 -9.582 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.378 -7.394 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.606 -8.717 -7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.399 -7.386 -6.493 1.00 0.00 H new ATOM 379 N VAL A 27 3.929 -9.630 -2.669 1.00 0.00 N ATOM 380 CA VAL A 27 4.147 -10.513 -1.481 1.00 0.00 C ATOM 381 C VAL A 27 3.011 -11.580 -1.395 1.00 0.00 C ATOM 382 O VAL A 27 1.853 -11.239 -1.534 1.00 0.00 O ATOM 383 CB VAL A 27 4.112 -9.645 -0.223 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.682 -9.158 0.012 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.560 -10.477 0.979 1.00 0.00 C ATOM 0 H VAL A 27 3.220 -8.906 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 27 5.107 -11.021 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 27 4.778 -8.792 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.651 -8.538 0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.352 -8.572 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.022 -10.016 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.536 -9.860 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.889 -11.327 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.575 -10.838 0.814 1.00 0.00 H new ATOM 395 N PRO A 28 3.352 -12.858 -1.172 1.00 0.00 N ATOM 396 CA PRO A 28 2.322 -13.905 -1.067 1.00 0.00 C ATOM 397 C PRO A 28 1.378 -13.627 0.114 1.00 0.00 C ATOM 398 O PRO A 28 1.790 -13.100 1.128 1.00 0.00 O ATOM 399 CB PRO A 28 3.088 -15.212 -0.832 1.00 0.00 C ATOM 400 CG PRO A 28 4.599 -14.854 -0.731 1.00 0.00 C ATOM 401 CD PRO A 28 4.738 -13.349 -1.022 1.00 0.00 C ATOM 0 HA PRO A 28 1.705 -13.947 -1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.747 -15.698 0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.913 -15.912 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.983 -15.090 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.180 -15.438 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.253 -12.836 -0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.319 -13.174 -1.928 1.00 0.00 H new ATOM 409 N CYS A 29 0.134 -13.991 -0.046 1.00 0.00 N ATOM 410 CA CYS A 29 -0.846 -13.760 1.060 1.00 0.00 C ATOM 411 C CYS A 29 -2.121 -14.572 0.817 1.00 0.00 C ATOM 412 O CYS A 29 -2.696 -14.527 -0.252 1.00 0.00 O ATOM 413 CB CYS A 29 -1.193 -12.274 1.124 1.00 0.00 C ATOM 414 SG CYS A 29 -0.179 -11.228 2.197 1.00 0.00 S ATOM 0 H CYS A 29 -0.245 -14.433 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.400 -14.077 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.139 -11.872 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.230 -12.184 1.448 1.00 0.00 H new ATOM 419 N THR A 30 -2.535 -15.297 1.819 1.00 0.00 N ATOM 420 CA THR A 30 -3.774 -16.116 1.667 1.00 0.00 C ATOM 421 C THR A 30 -5.012 -15.230 1.836 1.00 0.00 C ATOM 422 O THR A 30 -6.124 -15.663 1.613 1.00 0.00 O ATOM 423 CB THR A 30 -3.782 -17.213 2.735 1.00 0.00 C ATOM 424 OG1 THR A 30 -4.295 -16.580 3.902 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.367 -17.650 3.102 1.00 0.00 C ATOM 0 H THR A 30 -2.076 -15.359 2.728 1.00 0.00 H new ATOM 0 HA THR A 30 -3.792 -16.564 0.674 1.00 0.00 H new ATOM 0 HB THR A 30 -4.346 -18.075 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.332 -17.228 4.636 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.413 -18.429 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.864 -18.037 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.812 -16.796 3.490 1.00 0.00 H new ATOM 433 N ARG A 31 -4.789 -14.005 2.229 1.00 0.00 N ATOM 434 CA ARG A 31 -5.940 -13.074 2.420 1.00 0.00 C ATOM 435 C ARG A 31 -6.756 -12.967 1.128 1.00 0.00 C ATOM 436 O ARG A 31 -6.514 -13.686 0.177 1.00 0.00 O ATOM 437 CB ARG A 31 -5.407 -11.695 2.802 1.00 0.00 C ATOM 438 CG ARG A 31 -4.640 -11.803 4.121 1.00 0.00 C ATOM 439 CD ARG A 31 -5.530 -11.309 5.262 1.00 0.00 C ATOM 440 NE ARG A 31 -5.586 -9.821 5.222 1.00 0.00 N ATOM 441 CZ ARG A 31 -4.808 -9.129 6.007 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.518 -9.307 5.931 1.00 0.00 N ATOM 443 NH2 ARG A 31 -5.344 -8.282 6.842 1.00 0.00 N ATOM 0 H ARG A 31 -3.869 -13.611 2.425 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.584 -13.457 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.754 -11.314 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.231 -10.988 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.341 -12.836 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.726 -11.210 4.074 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.532 -11.726 5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.135 -11.646 6.221 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.227 -9.347 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.134 -9.978 5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.893 -8.775 6.537 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.357 -8.169 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.750 -7.733 7.463 1.00 0.00 H new ATOM 457 N GLU A 32 -7.708 -12.069 1.125 1.00 0.00 N ATOM 458 CA GLU A 32 -8.557 -11.890 -0.093 1.00 0.00 C ATOM 459 C GLU A 32 -8.733 -10.401 -0.400 1.00 0.00 C ATOM 460 O GLU A 32 -8.340 -9.931 -1.450 1.00 0.00 O ATOM 461 CB GLU A 32 -9.926 -12.521 0.156 1.00 0.00 C ATOM 462 CG GLU A 32 -9.807 -14.043 0.033 1.00 0.00 C ATOM 463 CD GLU A 32 -10.066 -14.456 -1.417 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.217 -14.354 -1.812 1.00 0.00 O ATOM 465 OE2 GLU A 32 -9.100 -14.851 -2.048 1.00 0.00 O ATOM 0 H GLU A 32 -7.934 -11.455 1.908 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.072 -12.371 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.289 -12.251 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.651 -12.141 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.814 -14.368 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.523 -14.530 0.695 1.00 0.00 H new ATOM 472 N CYS A 33 -9.320 -9.693 0.522 1.00 0.00 N ATOM 473 CA CYS A 33 -9.531 -8.231 0.297 1.00 0.00 C ATOM 474 C CYS A 33 -9.938 -7.543 1.606 1.00 0.00 C ATOM 475 O CYS A 33 -11.099 -7.526 1.963 1.00 0.00 O ATOM 476 CB CYS A 33 -10.636 -8.039 -0.739 1.00 0.00 C ATOM 477 SG CYS A 33 -10.195 -8.252 -2.481 1.00 0.00 S ATOM 0 H CYS A 33 -9.661 -10.055 1.413 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.601 -7.788 -0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.439 -8.739 -0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -11.042 -7.035 -0.615 1.00 0.00 H new ATOM 482 N LYS A 34 -8.975 -6.988 2.293 1.00 0.00 N ATOM 483 CA LYS A 34 -9.302 -6.293 3.573 1.00 0.00 C ATOM 484 C LYS A 34 -10.476 -5.318 3.332 1.00 0.00 C ATOM 485 O LYS A 34 -10.711 -4.910 2.212 1.00 0.00 O ATOM 486 CB LYS A 34 -8.071 -5.512 4.036 1.00 0.00 C ATOM 487 CG LYS A 34 -7.327 -6.326 5.099 1.00 0.00 C ATOM 488 CD LYS A 34 -6.054 -5.577 5.504 1.00 0.00 C ATOM 489 CE LYS A 34 -6.144 -5.201 6.984 1.00 0.00 C ATOM 490 NZ LYS A 34 -4.984 -4.351 7.377 1.00 0.00 N ATOM 0 H LYS A 34 -7.990 -6.985 2.029 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.585 -7.018 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.414 -5.310 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.371 -4.547 4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.965 -6.481 5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.075 -7.312 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.178 -6.201 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.935 -4.681 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.075 -4.667 7.174 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.164 -6.104 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.060 -4.104 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.100 -4.874 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.982 -3.481 6.807 1.00 0.00 H new ATOM 504 N PRO A 35 -11.197 -4.957 4.387 1.00 0.00 N ATOM 505 CA PRO A 35 -12.327 -4.033 4.244 1.00 0.00 C ATOM 506 C PRO A 35 -11.853 -2.702 3.610 1.00 0.00 C ATOM 507 O PRO A 35 -10.679 -2.394 3.624 1.00 0.00 O ATOM 508 CB PRO A 35 -12.838 -3.794 5.671 1.00 0.00 C ATOM 509 CG PRO A 35 -11.938 -4.632 6.632 1.00 0.00 C ATOM 510 CD PRO A 35 -10.946 -5.424 5.761 1.00 0.00 C ATOM 0 HA PRO A 35 -13.106 -4.436 3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.789 -2.735 5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.882 -4.096 5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.405 -3.980 7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.545 -5.308 7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.916 -5.233 6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.111 -6.498 5.850 1.00 0.00 H new ATOM 518 N PRO A 36 -12.786 -1.935 3.062 1.00 0.00 N ATOM 519 CA PRO A 36 -12.451 -0.645 2.438 1.00 0.00 C ATOM 520 C PRO A 36 -11.774 0.296 3.441 1.00 0.00 C ATOM 521 O PRO A 36 -12.265 0.491 4.534 1.00 0.00 O ATOM 522 CB PRO A 36 -13.789 -0.055 1.989 1.00 0.00 C ATOM 523 CG PRO A 36 -14.906 -1.059 2.397 1.00 0.00 C ATOM 524 CD PRO A 36 -14.218 -2.285 3.022 1.00 0.00 C ATOM 0 HA PRO A 36 -11.754 -0.775 1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.956 0.915 2.457 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.794 0.106 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.593 -0.600 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.495 -1.351 1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.603 -2.488 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.389 -3.181 2.426 1.00 0.00 H new ATOM 532 N ARG A 37 -10.667 0.867 3.040 1.00 0.00 N ATOM 533 CA ARG A 37 -9.940 1.803 3.959 1.00 0.00 C ATOM 534 C ARG A 37 -8.686 2.354 3.265 1.00 0.00 C ATOM 535 O ARG A 37 -8.233 1.813 2.274 1.00 0.00 O ATOM 536 CB ARG A 37 -9.528 1.038 5.226 1.00 0.00 C ATOM 537 CG ARG A 37 -8.484 1.849 6.003 1.00 0.00 C ATOM 538 CD ARG A 37 -8.370 1.286 7.421 1.00 0.00 C ATOM 539 NE ARG A 37 -6.933 1.266 7.819 1.00 0.00 N ATOM 540 CZ ARG A 37 -6.236 2.369 7.757 1.00 0.00 C ATOM 541 NH1 ARG A 37 -6.815 3.499 8.057 1.00 0.00 N ATOM 542 NH2 ARG A 37 -4.983 2.304 7.396 1.00 0.00 N ATOM 0 H ARG A 37 -10.236 0.730 2.126 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.594 2.635 4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.401 0.856 5.853 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.120 0.064 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.518 1.800 5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.773 2.900 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.945 1.897 8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.786 0.279 7.461 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.499 0.399 8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.796 3.511 8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.286 4.370 8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.564 1.402 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.423 3.155 7.342 1.00 0.00 H new ATOM 556 N CYS A 38 -8.164 3.434 3.788 1.00 0.00 N ATOM 557 CA CYS A 38 -6.923 4.014 3.190 1.00 0.00 C ATOM 558 C CYS A 38 -5.763 3.033 3.379 1.00 0.00 C ATOM 559 O CYS A 38 -5.550 2.530 4.463 1.00 0.00 O ATOM 560 CB CYS A 38 -6.596 5.337 3.887 1.00 0.00 C ATOM 561 SG CYS A 38 -7.443 6.823 3.289 1.00 0.00 S ATOM 0 H CYS A 38 -8.538 3.935 4.594 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.076 4.193 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.821 5.224 4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.522 5.505 3.805 1.00 0.00 H new ATOM 566 N GLU A 39 -5.034 2.779 2.324 1.00 0.00 N ATOM 567 CA GLU A 39 -3.900 1.814 2.454 1.00 0.00 C ATOM 568 C GLU A 39 -2.936 1.939 1.269 1.00 0.00 C ATOM 569 O GLU A 39 -3.019 2.866 0.489 1.00 0.00 O ATOM 570 CB GLU A 39 -4.462 0.392 2.504 1.00 0.00 C ATOM 571 CG GLU A 39 -3.787 -0.381 3.640 1.00 0.00 C ATOM 572 CD GLU A 39 -4.349 -1.804 3.689 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.133 -2.506 2.714 1.00 0.00 O ATOM 574 OE2 GLU A 39 -4.964 -2.108 4.698 1.00 0.00 O ATOM 0 H GLU A 39 -5.168 3.186 1.398 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.351 2.038 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.541 0.421 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.290 -0.113 1.553 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.708 -0.409 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.960 0.123 4.591 1.00 0.00 H new ATOM 581 N CYS A 40 -2.043 0.991 1.165 1.00 0.00 N ATOM 582 CA CYS A 40 -1.057 1.026 0.047 1.00 0.00 C ATOM 583 C CYS A 40 -1.656 0.390 -1.212 1.00 0.00 C ATOM 584 O CYS A 40 -2.676 -0.267 -1.153 1.00 0.00 O ATOM 585 CB CYS A 40 0.189 0.250 0.462 1.00 0.00 C ATOM 586 SG CYS A 40 1.786 0.871 -0.115 1.00 0.00 S ATOM 0 H CYS A 40 -1.954 0.199 1.802 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.800 2.062 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.216 0.213 1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.080 -0.776 0.111 1.00 0.00 H new ATOM 591 N ILE A 41 -1.000 0.601 -2.325 1.00 0.00 N ATOM 592 CA ILE A 41 -1.505 0.023 -3.607 1.00 0.00 C ATOM 593 C ILE A 41 -0.341 -0.578 -4.407 1.00 0.00 C ATOM 594 O ILE A 41 0.484 0.137 -4.940 1.00 0.00 O ATOM 595 CB ILE A 41 -2.170 1.133 -4.427 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.284 1.777 -3.591 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.770 0.536 -5.703 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.744 3.049 -2.931 1.00 0.00 C ATOM 0 H ILE A 41 -0.141 1.146 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.228 -0.763 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.429 1.886 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.139 2.016 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.635 1.079 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.243 1.326 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.980 0.072 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.514 -0.215 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.531 3.512 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.902 2.795 -2.286 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.414 3.746 -3.701 1.00 0.00 H new ATOM 610 N ALA A 42 -0.301 -1.882 -4.472 1.00 0.00 N ATOM 611 CA ALA A 42 0.802 -2.544 -5.231 1.00 0.00 C ATOM 612 C ALA A 42 0.566 -2.401 -6.738 1.00 0.00 C ATOM 613 O ALA A 42 1.487 -2.165 -7.495 1.00 0.00 O ATOM 614 CB ALA A 42 0.846 -4.029 -4.863 1.00 0.00 C ATOM 0 H ALA A 42 -0.975 -2.512 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 42 1.749 -2.069 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.650 -4.517 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.025 -4.134 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.105 -4.496 -5.119 1.00 0.00 H new ATOM 620 N SER A 43 -0.667 -2.536 -7.141 1.00 0.00 N ATOM 621 CA SER A 43 -0.983 -2.420 -8.594 1.00 0.00 C ATOM 622 C SER A 43 -0.401 -1.122 -9.160 1.00 0.00 C ATOM 623 O SER A 43 -0.378 -0.924 -10.359 1.00 0.00 O ATOM 624 CB SER A 43 -2.500 -2.417 -8.776 1.00 0.00 C ATOM 625 OG SER A 43 -2.698 -3.034 -10.041 1.00 0.00 O ATOM 0 H SER A 43 -1.465 -2.720 -6.533 1.00 0.00 H new ATOM 0 HA SER A 43 -0.544 -3.265 -9.125 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.998 -2.971 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.902 -1.404 -8.759 1.00 0.00 H new ATOM 0 HG SER A 43 -3.657 -3.075 -10.239 1.00 0.00 H new ATOM 631 N ALA A 44 0.058 -0.270 -8.282 1.00 0.00 N ATOM 632 CA ALA A 44 0.643 1.026 -8.748 1.00 0.00 C ATOM 633 C ALA A 44 2.169 0.979 -8.659 1.00 0.00 C ATOM 634 O ALA A 44 2.859 1.366 -9.582 1.00 0.00 O ATOM 635 CB ALA A 44 0.122 2.154 -7.863 1.00 0.00 C ATOM 0 H ALA A 44 0.055 -0.411 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 44 0.353 1.198 -9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.544 3.102 -8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.965 2.197 -7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.414 1.970 -6.829 1.00 0.00 H new ATOM 641 N GLY A 45 2.658 0.503 -7.544 1.00 0.00 N ATOM 642 CA GLY A 45 4.140 0.421 -7.359 1.00 0.00 C ATOM 643 C GLY A 45 4.542 0.967 -5.985 1.00 0.00 C ATOM 644 O GLY A 45 5.685 1.325 -5.769 1.00 0.00 O ATOM 0 H GLY A 45 2.101 0.169 -6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.467 -0.614 -7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.642 0.988 -8.143 1.00 0.00 H new ATOM 648 N PHE A 46 3.597 1.025 -5.086 1.00 0.00 N ATOM 649 CA PHE A 46 3.920 1.544 -3.722 1.00 0.00 C ATOM 650 C PHE A 46 4.431 0.400 -2.835 1.00 0.00 C ATOM 651 O PHE A 46 3.836 -0.658 -2.786 1.00 0.00 O ATOM 652 CB PHE A 46 2.662 2.148 -3.101 1.00 0.00 C ATOM 653 CG PHE A 46 2.276 3.428 -3.851 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.906 4.629 -3.568 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.290 3.401 -4.823 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.554 5.778 -4.246 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.941 4.555 -5.497 1.00 0.00 C ATOM 658 CZ PHE A 46 1.572 5.740 -5.208 1.00 0.00 C ATOM 0 H PHE A 46 2.628 0.741 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 46 4.694 2.307 -3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.843 1.430 -3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.836 2.371 -2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.677 4.666 -2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.791 2.472 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.051 6.710 -4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.170 4.525 -6.253 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.297 6.641 -5.736 1.00 0.00 H new ATOM 668 N VAL A 47 5.523 0.644 -2.153 1.00 0.00 N ATOM 669 CA VAL A 47 6.098 -0.416 -1.264 1.00 0.00 C ATOM 670 C VAL A 47 5.892 -0.055 0.207 1.00 0.00 C ATOM 671 O VAL A 47 5.548 1.065 0.532 1.00 0.00 O ATOM 672 CB VAL A 47 7.594 -0.543 -1.540 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.794 -1.137 -2.929 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.244 0.840 -1.485 1.00 0.00 C ATOM 0 H VAL A 47 6.039 1.524 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 47 5.592 -1.359 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 47 8.051 -1.188 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.860 -1.231 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.327 -2.121 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.338 -0.484 -3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.312 0.748 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.790 1.485 -2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.094 1.274 -0.496 1.00 0.00 H new ATOM 684 N ARG A 48 6.112 -1.017 1.065 1.00 0.00 N ATOM 685 CA ARG A 48 5.942 -0.759 2.525 1.00 0.00 C ATOM 686 C ARG A 48 7.312 -0.589 3.192 1.00 0.00 C ATOM 687 O ARG A 48 8.166 -1.449 3.088 1.00 0.00 O ATOM 688 CB ARG A 48 5.210 -1.941 3.161 1.00 0.00 C ATOM 689 CG ARG A 48 3.792 -2.018 2.592 1.00 0.00 C ATOM 690 CD ARG A 48 3.098 -3.266 3.143 1.00 0.00 C ATOM 691 NE ARG A 48 1.624 -3.110 2.985 1.00 0.00 N ATOM 692 CZ ARG A 48 0.858 -3.157 4.040 1.00 0.00 C ATOM 693 NH1 ARG A 48 0.436 -4.318 4.462 1.00 0.00 N ATOM 694 NH2 ARG A 48 0.537 -2.043 4.638 1.00 0.00 N ATOM 0 H ARG A 48 6.400 -1.964 0.820 1.00 0.00 H new ATOM 0 HA ARG A 48 5.364 0.154 2.664 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.747 -2.868 2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.174 -1.822 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.229 -1.125 2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.825 -2.056 1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.442 -4.154 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.352 -3.405 4.194 1.00 0.00 H new ATOM 0 HE ARG A 48 1.218 -2.968 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.706 -5.169 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.164 -4.374 5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.884 -1.153 4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.061 -2.062 5.464 1.00 0.00 H new ATOM 708 N ASP A 49 7.493 0.514 3.862 1.00 0.00 N ATOM 709 CA ASP A 49 8.801 0.751 4.539 1.00 0.00 C ATOM 710 C ASP A 49 8.848 0.001 5.868 1.00 0.00 C ATOM 711 O ASP A 49 7.839 -0.163 6.527 1.00 0.00 O ATOM 712 CB ASP A 49 8.974 2.242 4.799 1.00 0.00 C ATOM 713 CG ASP A 49 10.464 2.581 4.826 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.061 2.306 5.855 1.00 0.00 O ATOM 715 OD2 ASP A 49 10.922 3.092 3.818 1.00 0.00 O ATOM 0 H ASP A 49 6.801 1.255 3.971 1.00 0.00 H new ATOM 0 HA ASP A 49 9.604 0.391 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.472 2.819 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.510 2.514 5.747 1.00 0.00 H new ATOM 720 N ALA A 50 10.026 -0.425 6.238 1.00 0.00 N ATOM 721 CA ALA A 50 10.169 -1.171 7.517 1.00 0.00 C ATOM 722 C ALA A 50 9.408 -0.452 8.626 1.00 0.00 C ATOM 723 O ALA A 50 8.972 -1.062 9.583 1.00 0.00 O ATOM 724 CB ALA A 50 11.650 -1.254 7.885 1.00 0.00 C ATOM 0 H ALA A 50 10.889 -0.289 5.712 1.00 0.00 H new ATOM 0 HA ALA A 50 9.760 -2.175 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.762 -1.800 8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.193 -1.774 7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.053 -0.248 8.001 1.00 0.00 H new ATOM 730 N GLN A 51 9.263 0.832 8.474 1.00 0.00 N ATOM 731 CA GLN A 51 8.528 1.611 9.508 1.00 0.00 C ATOM 732 C GLN A 51 7.023 1.496 9.266 1.00 0.00 C ATOM 733 O GLN A 51 6.254 2.330 9.699 1.00 0.00 O ATOM 734 CB GLN A 51 8.949 3.077 9.424 1.00 0.00 C ATOM 735 CG GLN A 51 10.440 3.190 9.753 1.00 0.00 C ATOM 736 CD GLN A 51 10.620 3.268 11.271 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.494 4.316 11.869 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.913 2.180 11.931 1.00 0.00 N ATOM 0 H GLN A 51 9.618 1.374 7.686 1.00 0.00 H new ATOM 0 HA GLN A 51 8.762 1.217 10.497 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.754 3.468 8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.364 3.677 10.121 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.978 2.329 9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.862 4.076 9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.020 1.296 11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.034 2.215 12.943 1.00 0.00 H new ATOM 747 N GLY A 52 6.635 0.457 8.576 1.00 0.00 N ATOM 748 CA GLY A 52 5.190 0.270 8.288 1.00 0.00 C ATOM 749 C GLY A 52 4.630 1.514 7.601 1.00 0.00 C ATOM 750 O GLY A 52 3.514 1.919 7.862 1.00 0.00 O ATOM 0 H GLY A 52 7.253 -0.264 8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.048 -0.603 7.651 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.648 0.080 9.214 1.00 0.00 H new ATOM 754 N ASN A 53 5.428 2.093 6.732 1.00 0.00 N ATOM 755 CA ASN A 53 4.969 3.325 6.009 1.00 0.00 C ATOM 756 C ASN A 53 4.937 3.078 4.498 1.00 0.00 C ATOM 757 O ASN A 53 5.946 2.781 3.893 1.00 0.00 O ATOM 758 CB ASN A 53 5.927 4.474 6.316 1.00 0.00 C ATOM 759 CG ASN A 53 5.621 5.029 7.707 1.00 0.00 C ATOM 760 OD1 ASN A 53 4.792 5.900 7.873 1.00 0.00 O ATOM 761 ND2 ASN A 53 6.267 4.551 8.735 1.00 0.00 N ATOM 0 H ASN A 53 6.366 1.771 6.494 1.00 0.00 H new ATOM 0 HA ASN A 53 3.963 3.579 6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.959 4.125 6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.823 5.259 5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.074 4.909 9.670 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.965 3.819 8.603 1.00 0.00 H new ATOM 768 N CYS A 54 3.775 3.215 3.925 1.00 0.00 N ATOM 769 CA CYS A 54 3.649 2.990 2.454 1.00 0.00 C ATOM 770 C CYS A 54 4.291 4.148 1.680 1.00 0.00 C ATOM 771 O CYS A 54 3.946 5.296 1.880 1.00 0.00 O ATOM 772 CB CYS A 54 2.168 2.893 2.096 1.00 0.00 C ATOM 773 SG CYS A 54 1.738 2.834 0.341 1.00 0.00 S ATOM 0 H CYS A 54 2.912 3.471 4.405 1.00 0.00 H new ATOM 0 HA CYS A 54 4.161 2.066 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.764 1.999 2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.658 3.748 2.539 1.00 0.00 H new ATOM 778 N ILE A 55 5.211 3.820 0.811 1.00 0.00 N ATOM 779 CA ILE A 55 5.883 4.891 0.016 1.00 0.00 C ATOM 780 C ILE A 55 6.218 4.381 -1.390 1.00 0.00 C ATOM 781 O ILE A 55 6.252 3.192 -1.627 1.00 0.00 O ATOM 782 CB ILE A 55 7.171 5.314 0.731 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.102 4.100 0.873 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.824 5.846 2.121 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.371 4.525 1.617 1.00 0.00 C ATOM 0 H ILE A 55 5.524 2.868 0.618 1.00 0.00 H new ATOM 0 HA ILE A 55 5.211 5.745 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 55 7.670 6.091 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.598 3.301 1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.357 3.705 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.737 6.148 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.160 6.705 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.327 5.065 2.696 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.036 3.668 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.877 5.310 1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.105 4.900 2.605 1.00 0.00 H new ATOM 797 N LYS A 56 6.456 5.294 -2.290 1.00 0.00 N ATOM 798 CA LYS A 56 6.794 4.883 -3.689 1.00 0.00 C ATOM 799 C LYS A 56 8.031 3.973 -3.694 1.00 0.00 C ATOM 800 O LYS A 56 8.856 4.040 -2.805 1.00 0.00 O ATOM 801 CB LYS A 56 7.085 6.130 -4.522 1.00 0.00 C ATOM 802 CG LYS A 56 6.276 7.306 -3.970 1.00 0.00 C ATOM 803 CD LYS A 56 6.063 8.336 -5.081 1.00 0.00 C ATOM 804 CE LYS A 56 5.332 9.551 -4.504 1.00 0.00 C ATOM 805 NZ LYS A 56 4.837 10.431 -5.600 1.00 0.00 N ATOM 0 H LYS A 56 6.432 6.300 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 56 5.951 4.337 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.150 6.361 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.826 5.953 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.315 6.956 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.801 7.762 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.022 8.639 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.482 7.899 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.495 9.221 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.004 10.112 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.344 11.250 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.642 10.761 -6.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.180 9.897 -6.204 1.00 0.00 H new ATOM 819 N PHE A 57 8.131 3.144 -4.699 1.00 0.00 N ATOM 820 CA PHE A 57 9.313 2.230 -4.783 1.00 0.00 C ATOM 821 C PHE A 57 10.602 3.050 -4.911 1.00 0.00 C ATOM 822 O PHE A 57 11.638 2.667 -4.404 1.00 0.00 O ATOM 823 CB PHE A 57 9.159 1.329 -6.008 1.00 0.00 C ATOM 824 CG PHE A 57 9.541 -0.107 -5.639 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.807 -0.394 -5.155 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.627 -1.138 -5.785 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.150 -1.689 -4.822 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.975 -2.431 -5.449 1.00 0.00 C ATOM 829 CZ PHE A 57 10.235 -2.705 -4.970 1.00 0.00 C ATOM 0 H PHE A 57 7.455 3.058 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 57 9.367 1.623 -3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.131 1.361 -6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.793 1.688 -6.819 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.530 0.400 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.637 -0.929 -6.164 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.139 -1.905 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 57 8.256 -3.229 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.506 -3.718 -4.710 1.00 0.00 H new ATOM 839 N GLU A 58 10.508 4.161 -5.589 1.00 0.00 N ATOM 840 CA GLU A 58 11.718 5.019 -5.764 1.00 0.00 C ATOM 841 C GLU A 58 12.112 5.664 -4.431 1.00 0.00 C ATOM 842 O GLU A 58 13.188 6.216 -4.301 1.00 0.00 O ATOM 843 CB GLU A 58 11.409 6.113 -6.786 1.00 0.00 C ATOM 844 CG GLU A 58 11.024 5.462 -8.116 1.00 0.00 C ATOM 845 CD GLU A 58 10.428 6.523 -9.044 1.00 0.00 C ATOM 846 OE1 GLU A 58 10.900 7.644 -8.958 1.00 0.00 O ATOM 847 OE2 GLU A 58 9.534 6.152 -9.787 1.00 0.00 O ATOM 0 H GLU A 58 9.655 4.511 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 58 12.546 4.402 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.596 6.744 -6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.277 6.758 -6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.900 5.008 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.302 4.663 -7.948 1.00 0.00 H new ATOM 854 N ASP A 59 11.235 5.582 -3.469 1.00 0.00 N ATOM 855 CA ASP A 59 11.547 6.186 -2.139 1.00 0.00 C ATOM 856 C ASP A 59 12.226 5.152 -1.236 1.00 0.00 C ATOM 857 O ASP A 59 12.234 5.287 -0.028 1.00 0.00 O ATOM 858 CB ASP A 59 10.251 6.663 -1.486 1.00 0.00 C ATOM 859 CG ASP A 59 9.677 7.829 -2.293 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.270 8.121 -3.318 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.678 8.363 -1.837 1.00 0.00 O ATOM 0 H ASP A 59 10.324 5.128 -3.542 1.00 0.00 H new ATOM 0 HA ASP A 59 12.222 7.030 -2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.530 5.846 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.441 6.975 -0.459 1.00 0.00 H new ATOM 866 N CYS A 60 12.782 4.141 -1.843 1.00 0.00 N ATOM 867 CA CYS A 60 13.465 3.086 -1.038 1.00 0.00 C ATOM 868 C CYS A 60 14.708 3.688 -0.336 1.00 0.00 C ATOM 869 O CYS A 60 15.242 4.683 -0.783 1.00 0.00 O ATOM 870 CB CYS A 60 13.908 1.966 -1.982 1.00 0.00 C ATOM 871 SG CYS A 60 12.775 0.583 -2.229 1.00 0.00 S ATOM 0 H CYS A 60 12.794 3.998 -2.853 1.00 0.00 H new ATOM 0 HA CYS A 60 12.783 2.695 -0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 60 14.114 2.410 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.851 1.565 -1.609 1.00 0.00 H new