USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=6 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= 0.115 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -5.41! C(o=-5.4!,f=-4.1!) USER MOD Single : A 11 GLN : amide:sc= -0.0909 X(o=-0.091,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00284 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.443 USER MOD Single : A 24 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.25) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0.165 (180deg=0.0719) 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= 0.0109 USER MOD Single : A 51 GLN : amide:sc= -1.32 K(o=-1.3,f=0.23) USER MOD Single : A 53 ASN : amide:sc= -5.45! K(o=-5.4!,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.677 10.275 0.356 1.00 0.00 N ATOM 66 CA CYS A 5 -6.932 10.055 1.631 1.00 0.00 C ATOM 67 C CYS A 5 -6.055 11.270 1.947 1.00 0.00 C ATOM 68 O CYS A 5 -6.190 12.311 1.333 1.00 0.00 O ATOM 69 CB CYS A 5 -6.055 8.812 1.491 1.00 0.00 C ATOM 70 SG CYS A 5 -6.886 7.250 1.106 1.00 0.00 S ATOM 0 HA CYS A 5 -7.644 9.915 2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.319 9.004 0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.504 8.681 2.422 1.00 0.00 H new ATOM 75 N THR A 6 -5.174 11.111 2.899 1.00 0.00 N ATOM 76 CA THR A 6 -4.285 12.247 3.279 1.00 0.00 C ATOM 77 C THR A 6 -2.895 12.088 2.648 1.00 0.00 C ATOM 78 O THR A 6 -2.663 12.504 1.532 1.00 0.00 O ATOM 79 CB THR A 6 -4.150 12.280 4.801 1.00 0.00 C ATOM 80 OG1 THR A 6 -4.289 10.922 5.207 1.00 0.00 O ATOM 81 CG2 THR A 6 -5.317 13.018 5.450 1.00 0.00 C ATOM 0 H THR A 6 -5.032 10.250 3.427 1.00 0.00 H new ATOM 0 HA THR A 6 -4.724 13.176 2.915 1.00 0.00 H new ATOM 0 HB THR A 6 -3.214 12.764 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.211 10.862 6.182 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.188 13.022 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.347 14.044 5.084 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.251 12.516 5.198 1.00 0.00 H new ATOM 89 N LYS A 7 -2.001 11.485 3.384 1.00 0.00 N ATOM 90 CA LYS A 7 -0.613 11.301 2.859 1.00 0.00 C ATOM 91 C LYS A 7 -0.649 10.585 1.482 1.00 0.00 C ATOM 92 O LYS A 7 -1.574 9.848 1.200 1.00 0.00 O ATOM 93 CB LYS A 7 0.172 10.446 3.858 1.00 0.00 C ATOM 94 CG LYS A 7 0.706 11.345 4.977 1.00 0.00 C ATOM 95 CD LYS A 7 0.921 10.505 6.239 1.00 0.00 C ATOM 96 CE LYS A 7 1.946 9.407 5.940 1.00 0.00 C ATOM 97 NZ LYS A 7 2.375 8.737 7.201 1.00 0.00 N ATOM 0 H LYS A 7 -2.167 11.114 4.319 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.137 12.273 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.470 9.669 4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.997 9.942 3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.643 11.809 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.002 12.152 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.273 11.136 7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.021 10.062 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.514 8.673 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.812 9.837 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.070 7.995 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.806 9.438 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.548 8.310 7.666 1.00 0.00 H new ATOM 111 N PRO A 8 0.366 10.816 0.643 1.00 0.00 N ATOM 112 CA PRO A 8 0.426 10.170 -0.679 1.00 0.00 C ATOM 113 C PRO A 8 0.439 8.642 -0.531 1.00 0.00 C ATOM 114 O PRO A 8 0.333 8.126 0.561 1.00 0.00 O ATOM 115 CB PRO A 8 1.738 10.654 -1.309 1.00 0.00 C ATOM 116 CG PRO A 8 2.458 11.546 -0.256 1.00 0.00 C ATOM 117 CD PRO A 8 1.499 11.717 0.935 1.00 0.00 C ATOM 0 HA PRO A 8 -0.439 10.423 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.365 9.807 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.541 11.219 -2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.391 11.083 0.066 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.714 12.515 -0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.984 11.450 1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.167 12.751 1.030 1.00 0.00 H new ATOM 125 N ASN A 9 0.582 7.957 -1.637 1.00 0.00 N ATOM 126 CA ASN A 9 0.595 6.460 -1.589 1.00 0.00 C ATOM 127 C ASN A 9 -0.698 5.942 -0.941 1.00 0.00 C ATOM 128 O ASN A 9 -1.589 5.485 -1.630 1.00 0.00 O ATOM 129 CB ASN A 9 1.827 5.980 -0.800 1.00 0.00 C ATOM 130 CG ASN A 9 2.958 7.007 -0.930 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.820 6.898 -1.785 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.000 8.011 -0.099 1.00 0.00 N ATOM 0 H ASN A 9 0.690 8.364 -2.566 1.00 0.00 H new ATOM 0 HA ASN A 9 0.651 6.066 -2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.567 5.842 0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.157 5.012 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.751 8.698 -0.167 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.282 8.109 0.619 1.00 0.00 H new ATOM 139 N GLU A 10 -0.782 6.019 0.359 1.00 0.00 N ATOM 140 CA GLU A 10 -2.024 5.548 1.032 1.00 0.00 C ATOM 141 C GLU A 10 -3.237 6.114 0.296 1.00 0.00 C ATOM 142 O GLU A 10 -3.587 7.266 0.471 1.00 0.00 O ATOM 143 CB GLU A 10 -2.029 6.031 2.482 1.00 0.00 C ATOM 144 CG GLU A 10 -0.689 5.677 3.133 1.00 0.00 C ATOM 145 CD GLU A 10 -0.902 5.446 4.630 1.00 0.00 C ATOM 146 OE1 GLU A 10 -1.760 6.127 5.165 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.195 4.601 5.153 1.00 0.00 O ATOM 0 H GLU A 10 -0.056 6.382 0.976 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.064 4.459 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.192 7.108 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.848 5.566 3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.272 4.782 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.029 6.482 2.976 1.00 0.00 H new ATOM 154 N GLN A 11 -3.851 5.289 -0.512 1.00 0.00 N ATOM 155 CA GLN A 11 -5.036 5.754 -1.293 1.00 0.00 C ATOM 156 C GLN A 11 -6.217 4.824 -1.047 1.00 0.00 C ATOM 157 O GLN A 11 -6.068 3.762 -0.479 1.00 0.00 O ATOM 158 CB GLN A 11 -4.684 5.752 -2.780 1.00 0.00 C ATOM 159 CG GLN A 11 -5.415 6.905 -3.468 1.00 0.00 C ATOM 160 CD GLN A 11 -5.150 6.846 -4.974 1.00 0.00 C ATOM 161 OE1 GLN A 11 -4.695 7.798 -5.574 1.00 0.00 O ATOM 162 NE2 GLN A 11 -5.424 5.747 -5.622 1.00 0.00 N ATOM 0 H GLN A 11 -3.584 4.316 -0.665 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.307 6.762 -0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.607 5.857 -2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.969 4.802 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.485 6.840 -3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.075 7.859 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.807 4.943 -5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.256 5.692 -6.626 1.00 0.00 H new ATOM 171 N TRP A 12 -7.366 5.238 -1.483 1.00 0.00 N ATOM 172 CA TRP A 12 -8.568 4.391 -1.278 1.00 0.00 C ATOM 173 C TRP A 12 -8.441 3.081 -2.035 1.00 0.00 C ATOM 174 O TRP A 12 -7.962 3.050 -3.152 1.00 0.00 O ATOM 175 CB TRP A 12 -9.790 5.121 -1.799 1.00 0.00 C ATOM 176 CG TRP A 12 -10.990 4.171 -1.751 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.455 3.483 -2.794 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.724 3.955 -0.686 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.528 2.841 -2.294 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.767 3.091 -0.962 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.561 4.453 0.589 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.651 2.740 0.033 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.442 4.099 1.587 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.490 3.243 1.309 1.00 0.00 C ATOM 0 H TRP A 12 -7.527 6.120 -1.970 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.663 4.185 -0.212 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.986 6.007 -1.196 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.619 5.462 -2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.064 3.449 -3.800 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.114 2.222 -2.855 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.741 5.122 0.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.471 2.071 -0.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.314 4.490 2.585 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.183 2.967 2.090 1.00 0.00 H new ATOM 195 N THR A 13 -8.869 2.019 -1.411 1.00 0.00 N ATOM 196 CA THR A 13 -8.815 0.706 -2.099 1.00 0.00 C ATOM 197 C THR A 13 -10.055 -0.119 -1.742 1.00 0.00 C ATOM 198 O THR A 13 -10.336 -0.358 -0.587 1.00 0.00 O ATOM 199 CB THR A 13 -7.546 -0.050 -1.688 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.832 -1.415 -1.974 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.309 0.002 -0.180 1.00 0.00 C ATOM 0 H THR A 13 -9.249 2.006 -0.465 1.00 0.00 H new ATOM 0 HA THR A 13 -8.794 0.870 -3.176 1.00 0.00 H new ATOM 0 HB THR A 13 -6.683 0.376 -2.200 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.059 -1.968 -1.737 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.399 -0.547 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.203 1.040 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.155 -0.450 0.337 1.00 0.00 H new ATOM 209 N LYS A 14 -10.779 -0.525 -2.744 1.00 0.00 N ATOM 210 CA LYS A 14 -11.997 -1.335 -2.476 1.00 0.00 C ATOM 211 C LYS A 14 -11.594 -2.718 -1.951 1.00 0.00 C ATOM 212 O LYS A 14 -12.387 -3.412 -1.346 1.00 0.00 O ATOM 213 CB LYS A 14 -12.794 -1.481 -3.769 1.00 0.00 C ATOM 214 CG LYS A 14 -12.995 -0.099 -4.390 1.00 0.00 C ATOM 215 CD LYS A 14 -14.118 -0.173 -5.424 1.00 0.00 C ATOM 216 CE LYS A 14 -13.740 -1.192 -6.503 1.00 0.00 C ATOM 217 NZ LYS A 14 -14.407 -0.858 -7.792 1.00 0.00 N ATOM 0 H LYS A 14 -10.584 -0.334 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.611 -0.838 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.266 -2.133 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.759 -1.946 -3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.243 0.628 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -12.072 0.239 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.053 -0.463 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.281 0.807 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.659 -1.203 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.031 -2.193 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.140 -1.559 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.439 -0.870 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.108 0.089 -8.102 1.00 0.00 H new ATOM 231 N CYS A 15 -10.362 -3.084 -2.197 1.00 0.00 N ATOM 232 CA CYS A 15 -9.869 -4.407 -1.718 1.00 0.00 C ATOM 233 C CYS A 15 -8.445 -4.269 -1.168 1.00 0.00 C ATOM 234 O CYS A 15 -7.486 -4.299 -1.914 1.00 0.00 O ATOM 235 CB CYS A 15 -9.863 -5.390 -2.882 1.00 0.00 C ATOM 236 SG CYS A 15 -8.498 -6.581 -2.956 1.00 0.00 S ATOM 0 H CYS A 15 -9.679 -2.524 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.525 -4.769 -0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.798 -5.950 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.861 -4.816 -3.809 1.00 0.00 H new ATOM 241 N GLY A 16 -8.337 -4.119 0.121 1.00 0.00 N ATOM 242 CA GLY A 16 -6.983 -3.980 0.727 1.00 0.00 C ATOM 243 C GLY A 16 -6.362 -5.358 0.956 1.00 0.00 C ATOM 244 O GLY A 16 -6.620 -6.287 0.216 1.00 0.00 O ATOM 0 H GLY A 16 -9.118 -4.087 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.343 -3.389 0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.054 -3.443 1.673 1.00 0.00 H new ATOM 248 N GLY A 17 -5.553 -5.457 1.983 1.00 0.00 N ATOM 249 CA GLY A 17 -4.898 -6.764 2.290 1.00 0.00 C ATOM 250 C GLY A 17 -3.381 -6.594 2.378 1.00 0.00 C ATOM 251 O GLY A 17 -2.891 -5.612 2.898 1.00 0.00 O ATOM 0 H GLY A 17 -5.320 -4.693 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.281 -7.157 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.144 -7.492 1.517 1.00 0.00 H new ATOM 255 N CYS A 18 -2.670 -7.559 1.865 1.00 0.00 N ATOM 256 CA CYS A 18 -1.182 -7.477 1.906 1.00 0.00 C ATOM 257 C CYS A 18 -0.650 -6.817 0.630 1.00 0.00 C ATOM 258 O CYS A 18 -1.084 -7.135 -0.459 1.00 0.00 O ATOM 259 CB CYS A 18 -0.612 -8.888 2.016 1.00 0.00 C ATOM 260 SG CYS A 18 -1.608 -10.126 2.883 1.00 0.00 S ATOM 0 H CYS A 18 -3.050 -8.395 1.422 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.880 -6.879 2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.424 -9.254 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.354 -8.823 2.517 1.00 0.00 H new ATOM 265 N GLU A 19 0.283 -5.910 0.798 1.00 0.00 N ATOM 266 CA GLU A 19 0.866 -5.212 -0.395 1.00 0.00 C ATOM 267 C GLU A 19 2.303 -5.691 -0.645 1.00 0.00 C ATOM 268 O GLU A 19 2.684 -6.767 -0.222 1.00 0.00 O ATOM 269 CB GLU A 19 0.842 -3.692 -0.156 1.00 0.00 C ATOM 270 CG GLU A 19 1.966 -3.278 0.809 1.00 0.00 C ATOM 271 CD GLU A 19 2.158 -4.351 1.881 1.00 0.00 C ATOM 272 OE1 GLU A 19 1.315 -4.393 2.761 1.00 0.00 O ATOM 273 OE2 GLU A 19 3.138 -5.068 1.760 1.00 0.00 O ATOM 0 H GLU A 19 0.664 -5.624 1.700 1.00 0.00 H new ATOM 0 HA GLU A 19 0.271 -5.448 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.958 -3.167 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.124 -3.398 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.895 -3.133 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.722 -2.324 1.277 1.00 0.00 H new ATOM 280 N GLY A 20 3.067 -4.888 -1.337 1.00 0.00 N ATOM 281 CA GLY A 20 4.475 -5.282 -1.628 1.00 0.00 C ATOM 282 C GLY A 20 5.445 -4.598 -0.666 1.00 0.00 C ATOM 283 O GLY A 20 5.048 -4.050 0.342 1.00 0.00 O ATOM 0 H GLY A 20 2.779 -3.983 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.578 -6.364 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.726 -5.015 -2.654 1.00 0.00 H new ATOM 287 N THR A 21 6.705 -4.648 -1.001 1.00 0.00 N ATOM 288 CA THR A 21 7.723 -4.004 -0.124 1.00 0.00 C ATOM 289 C THR A 21 8.936 -3.586 -0.956 1.00 0.00 C ATOM 290 O THR A 21 8.954 -3.761 -2.159 1.00 0.00 O ATOM 291 CB THR A 21 8.160 -4.998 0.957 1.00 0.00 C ATOM 292 OG1 THR A 21 8.110 -6.270 0.320 1.00 0.00 O ATOM 293 CG2 THR A 21 7.146 -5.075 2.095 1.00 0.00 C ATOM 0 H THR A 21 7.072 -5.103 -1.837 1.00 0.00 H new ATOM 0 HA THR A 21 7.290 -3.120 0.344 1.00 0.00 H new ATOM 0 HB THR A 21 9.131 -4.707 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.224 -6.976 0.990 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.491 -5.790 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.040 -4.093 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.182 -5.398 1.702 1.00 0.00 H new ATOM 301 N CYS A 22 9.926 -3.044 -0.305 1.00 0.00 N ATOM 302 CA CYS A 22 11.136 -2.617 -1.056 1.00 0.00 C ATOM 303 C CYS A 22 11.939 -3.849 -1.474 1.00 0.00 C ATOM 304 O CYS A 22 13.049 -3.741 -1.958 1.00 0.00 O ATOM 305 CB CYS A 22 11.994 -1.716 -0.167 1.00 0.00 C ATOM 306 SG CYS A 22 13.151 -0.598 -0.987 1.00 0.00 S ATOM 0 H CYS A 22 9.950 -2.880 0.701 1.00 0.00 H new ATOM 0 HA CYS A 22 10.837 -2.065 -1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.325 -1.116 0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.564 -2.354 0.509 1.00 0.00 H new ATOM 311 N ALA A 23 11.351 -4.999 -1.273 1.00 0.00 N ATOM 312 CA ALA A 23 12.055 -6.263 -1.644 1.00 0.00 C ATOM 313 C ALA A 23 11.067 -7.286 -2.236 1.00 0.00 C ATOM 314 O ALA A 23 11.473 -8.300 -2.770 1.00 0.00 O ATOM 315 CB ALA A 23 12.702 -6.846 -0.391 1.00 0.00 C ATOM 0 H ALA A 23 10.421 -5.118 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 23 12.812 -6.043 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.221 -7.770 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.416 -6.130 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.933 -7.055 0.352 1.00 0.00 H new ATOM 321 N GLN A 24 9.794 -6.998 -2.134 1.00 0.00 N ATOM 322 CA GLN A 24 8.778 -7.945 -2.685 1.00 0.00 C ATOM 323 C GLN A 24 7.582 -7.162 -3.230 1.00 0.00 C ATOM 324 O GLN A 24 6.622 -6.921 -2.530 1.00 0.00 O ATOM 325 CB GLN A 24 8.309 -8.884 -1.574 1.00 0.00 C ATOM 326 CG GLN A 24 9.121 -10.181 -1.631 1.00 0.00 C ATOM 327 CD GLN A 24 8.688 -10.999 -2.850 1.00 0.00 C ATOM 328 OE1 GLN A 24 9.493 -11.361 -3.685 1.00 0.00 O ATOM 329 NE2 GLN A 24 7.429 -11.310 -2.991 1.00 0.00 N ATOM 0 H GLN A 24 9.417 -6.157 -1.698 1.00 0.00 H new ATOM 0 HA GLN A 24 9.224 -8.525 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.433 -8.406 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.247 -9.101 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.185 -9.954 -1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.969 -10.758 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.748 -11.009 -2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.125 -11.854 -3.799 1.00 0.00 H new ATOM 338 N LYS A 25 7.668 -6.785 -4.472 1.00 0.00 N ATOM 339 CA LYS A 25 6.552 -6.008 -5.087 1.00 0.00 C ATOM 340 C LYS A 25 5.194 -6.637 -4.745 1.00 0.00 C ATOM 341 O LYS A 25 4.197 -5.948 -4.673 1.00 0.00 O ATOM 342 CB LYS A 25 6.735 -5.992 -6.606 1.00 0.00 C ATOM 343 CG LYS A 25 5.718 -5.024 -7.237 1.00 0.00 C ATOM 344 CD LYS A 25 6.035 -3.581 -6.813 1.00 0.00 C ATOM 345 CE LYS A 25 5.852 -2.649 -8.014 1.00 0.00 C ATOM 346 NZ LYS A 25 4.440 -2.681 -8.486 1.00 0.00 N ATOM 0 H LYS A 25 8.457 -6.978 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 25 6.571 -4.992 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.750 -5.684 -6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.597 -6.995 -7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.749 -5.108 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.708 -5.290 -6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.378 -3.276 -5.998 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.057 -3.516 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.127 -1.631 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.519 -2.951 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.299 -1.947 -9.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.231 -3.615 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.802 -2.503 -7.684 1.00 0.00 H new ATOM 360 N ILE A 26 5.178 -7.931 -4.571 1.00 0.00 N ATOM 361 CA ILE A 26 3.892 -8.605 -4.237 1.00 0.00 C ATOM 362 C ILE A 26 4.118 -9.715 -3.203 1.00 0.00 C ATOM 363 O ILE A 26 4.774 -10.698 -3.479 1.00 0.00 O ATOM 364 CB ILE A 26 3.323 -9.195 -5.520 1.00 0.00 C ATOM 365 CG1 ILE A 26 3.315 -8.103 -6.595 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.892 -9.683 -5.278 1.00 0.00 C ATOM 367 CD1 ILE A 26 2.478 -8.563 -7.784 1.00 0.00 C ATOM 0 H ILE A 26 5.990 -8.544 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 26 3.196 -7.885 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 26 3.934 -10.038 -5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.907 -7.179 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.334 -7.887 -6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.490 -10.104 -6.200 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.895 -10.447 -4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.271 -8.845 -4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.473 -7.786 -8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.905 -9.476 -8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.456 -8.757 -7.457 1.00 0.00 H new ATOM 379 N VAL A 27 3.570 -9.527 -2.031 1.00 0.00 N ATOM 380 CA VAL A 27 3.740 -10.565 -0.973 1.00 0.00 C ATOM 381 C VAL A 27 2.552 -11.578 -1.025 1.00 0.00 C ATOM 382 O VAL A 27 1.409 -11.166 -0.975 1.00 0.00 O ATOM 383 CB VAL A 27 3.745 -9.873 0.389 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.348 -9.328 0.681 1.00 0.00 C ATOM 385 CG2 VAL A 27 4.120 -10.887 1.467 1.00 0.00 C ATOM 0 H VAL A 27 3.019 -8.711 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 27 4.675 -11.102 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 27 4.467 -9.056 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.346 -8.833 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.068 -8.612 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.632 -10.150 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.125 -10.398 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.392 -11.698 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.111 -11.290 1.258 1.00 0.00 H new ATOM 395 N PRO A 28 2.827 -12.888 -1.127 1.00 0.00 N ATOM 396 CA PRO A 28 1.741 -13.883 -1.178 1.00 0.00 C ATOM 397 C PRO A 28 0.897 -13.834 0.104 1.00 0.00 C ATOM 398 O PRO A 28 1.366 -13.419 1.144 1.00 0.00 O ATOM 399 CB PRO A 28 2.435 -15.243 -1.302 1.00 0.00 C ATOM 400 CG PRO A 28 3.970 -14.987 -1.281 1.00 0.00 C ATOM 401 CD PRO A 28 4.186 -13.466 -1.200 1.00 0.00 C ATOM 0 HA PRO A 28 1.064 -13.692 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.144 -15.898 -0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.142 -15.741 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.430 -15.485 -0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.438 -15.393 -2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.776 -13.198 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.725 -13.097 -2.073 1.00 0.00 H new ATOM 409 N CYS A 29 -0.333 -14.262 -0.004 1.00 0.00 N ATOM 410 CA CYS A 29 -1.220 -14.252 1.197 1.00 0.00 C ATOM 411 C CYS A 29 -2.459 -15.120 0.948 1.00 0.00 C ATOM 412 O CYS A 29 -3.124 -14.984 -0.061 1.00 0.00 O ATOM 413 CB CYS A 29 -1.648 -12.816 1.495 1.00 0.00 C ATOM 414 SG CYS A 29 -0.597 -11.853 2.609 1.00 0.00 S ATOM 0 H CYS A 29 -0.759 -14.614 -0.861 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.674 -14.657 2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.716 -12.281 0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.652 -12.844 1.918 1.00 0.00 H new ATOM 419 N THR A 30 -2.743 -15.991 1.877 1.00 0.00 N ATOM 420 CA THR A 30 -3.933 -16.879 1.714 1.00 0.00 C ATOM 421 C THR A 30 -5.226 -16.082 1.921 1.00 0.00 C ATOM 422 O THR A 30 -6.310 -16.626 1.848 1.00 0.00 O ATOM 423 CB THR A 30 -3.857 -18.009 2.744 1.00 0.00 C ATOM 424 OG1 THR A 30 -4.612 -17.538 3.856 1.00 0.00 O ATOM 425 CG2 THR A 30 -2.435 -18.193 3.269 1.00 0.00 C ATOM 0 H THR A 30 -2.209 -16.127 2.735 1.00 0.00 H new ATOM 0 HA THR A 30 -3.936 -17.293 0.706 1.00 0.00 H new ATOM 0 HB THR A 30 -4.203 -18.942 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.610 -18.216 4.563 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.418 -19.003 3.998 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.770 -18.437 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.100 -17.271 3.744 1.00 0.00 H new ATOM 433 N ARG A 31 -5.084 -14.809 2.175 1.00 0.00 N ATOM 434 CA ARG A 31 -6.301 -13.967 2.388 1.00 0.00 C ATOM 435 C ARG A 31 -6.894 -13.547 1.040 1.00 0.00 C ATOM 436 O ARG A 31 -6.382 -13.903 -0.003 1.00 0.00 O ATOM 437 CB ARG A 31 -5.916 -12.723 3.190 1.00 0.00 C ATOM 438 CG ARG A 31 -6.040 -13.028 4.687 1.00 0.00 C ATOM 439 CD ARG A 31 -5.652 -11.784 5.488 1.00 0.00 C ATOM 440 NE ARG A 31 -6.831 -10.875 5.569 1.00 0.00 N ATOM 441 CZ ARG A 31 -7.523 -10.820 6.674 1.00 0.00 C ATOM 442 NH1 ARG A 31 -7.136 -10.009 7.621 1.00 0.00 N ATOM 443 NH2 ARG A 31 -8.580 -11.577 6.795 1.00 0.00 N ATOM 0 H ARG A 31 -4.192 -14.319 2.244 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.047 -14.543 2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.895 -12.424 2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.564 -11.888 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.061 -13.325 4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.394 -13.864 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.325 -12.067 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.815 -11.274 5.011 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.094 -10.301 4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.305 -9.432 7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.664 -9.953 8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.853 -12.198 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.133 -11.547 7.651 1.00 0.00 H new ATOM 457 N GLU A 32 -7.967 -12.793 1.094 1.00 0.00 N ATOM 458 CA GLU A 32 -8.623 -12.336 -0.173 1.00 0.00 C ATOM 459 C GLU A 32 -8.487 -10.818 -0.325 1.00 0.00 C ATOM 460 O GLU A 32 -7.675 -10.337 -1.090 1.00 0.00 O ATOM 461 CB GLU A 32 -10.103 -12.709 -0.125 1.00 0.00 C ATOM 462 CG GLU A 32 -10.233 -14.226 0.016 1.00 0.00 C ATOM 463 CD GLU A 32 -10.763 -14.562 1.410 1.00 0.00 C ATOM 464 OE1 GLU A 32 -11.808 -14.022 1.737 1.00 0.00 O ATOM 465 OE2 GLU A 32 -10.092 -15.338 2.071 1.00 0.00 O ATOM 0 H GLU A 32 -8.414 -12.476 1.954 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.140 -12.818 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.589 -12.211 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.605 -12.371 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.908 -14.617 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.265 -14.701 -0.142 1.00 0.00 H new ATOM 472 N CYS A 33 -9.289 -10.094 0.406 1.00 0.00 N ATOM 473 CA CYS A 33 -9.224 -8.605 0.312 1.00 0.00 C ATOM 474 C CYS A 33 -9.787 -7.961 1.585 1.00 0.00 C ATOM 475 O CYS A 33 -10.867 -8.296 2.025 1.00 0.00 O ATOM 476 CB CYS A 33 -10.057 -8.144 -0.885 1.00 0.00 C ATOM 477 SG CYS A 33 -9.351 -8.365 -2.537 1.00 0.00 S ATOM 0 H CYS A 33 -9.981 -10.463 1.059 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.183 -8.305 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.010 -8.673 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.276 -7.084 -0.753 1.00 0.00 H new ATOM 482 N LYS A 34 -9.040 -7.049 2.148 1.00 0.00 N ATOM 483 CA LYS A 34 -9.530 -6.365 3.380 1.00 0.00 C ATOM 484 C LYS A 34 -10.683 -5.412 3.000 1.00 0.00 C ATOM 485 O LYS A 34 -10.794 -5.013 1.857 1.00 0.00 O ATOM 486 CB LYS A 34 -8.378 -5.566 3.988 1.00 0.00 C ATOM 487 CG LYS A 34 -7.752 -6.371 5.130 1.00 0.00 C ATOM 488 CD LYS A 34 -6.570 -5.587 5.704 1.00 0.00 C ATOM 489 CE LYS A 34 -6.814 -5.332 7.193 1.00 0.00 C ATOM 490 NZ LYS A 34 -5.706 -4.521 7.771 1.00 0.00 N ATOM 0 H LYS A 34 -8.124 -6.751 1.814 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.890 -7.097 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.629 -5.350 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.741 -4.608 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.492 -6.559 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.418 -7.343 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.645 -6.146 5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.453 -4.641 5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.762 -4.812 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.893 -6.281 7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.887 -4.357 8.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.807 -5.031 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.650 -3.608 7.277 1.00 0.00 H new ATOM 504 N PRO A 35 -11.527 -5.062 3.958 1.00 0.00 N ATOM 505 CA PRO A 35 -12.649 -4.159 3.679 1.00 0.00 C ATOM 506 C PRO A 35 -12.136 -2.840 3.047 1.00 0.00 C ATOM 507 O PRO A 35 -10.970 -2.517 3.152 1.00 0.00 O ATOM 508 CB PRO A 35 -13.299 -3.889 5.042 1.00 0.00 C ATOM 509 CG PRO A 35 -12.524 -4.729 6.102 1.00 0.00 C ATOM 510 CD PRO A 35 -11.433 -5.520 5.356 1.00 0.00 C ATOM 0 HA PRO A 35 -13.357 -4.592 2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.254 -2.828 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.353 -4.168 5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.079 -4.079 6.856 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.200 -5.406 6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.445 -5.321 5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.601 -6.594 5.433 1.00 0.00 H new ATOM 518 N PRO A 36 -13.028 -2.102 2.399 1.00 0.00 N ATOM 519 CA PRO A 36 -12.658 -0.827 1.760 1.00 0.00 C ATOM 520 C PRO A 36 -12.076 0.159 2.783 1.00 0.00 C ATOM 521 O PRO A 36 -12.650 0.379 3.830 1.00 0.00 O ATOM 522 CB PRO A 36 -13.964 -0.270 1.188 1.00 0.00 C ATOM 523 CG PRO A 36 -15.098 -1.276 1.537 1.00 0.00 C ATOM 524 CD PRO A 36 -14.448 -2.474 2.251 1.00 0.00 C ATOM 0 HA PRO A 36 -11.895 -0.975 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.179 0.711 1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.885 -0.142 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.844 -0.806 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.614 -1.601 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.912 -2.656 3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.558 -3.389 1.668 1.00 0.00 H new ATOM 532 N ARG A 37 -10.951 0.739 2.445 1.00 0.00 N ATOM 533 CA ARG A 37 -10.314 1.723 3.380 1.00 0.00 C ATOM 534 C ARG A 37 -9.039 2.302 2.752 1.00 0.00 C ATOM 535 O ARG A 37 -8.512 1.764 1.796 1.00 0.00 O ATOM 536 CB ARG A 37 -9.962 1.012 4.699 1.00 0.00 C ATOM 537 CG ARG A 37 -9.026 1.905 5.531 1.00 0.00 C ATOM 538 CD ARG A 37 -8.954 1.372 6.971 1.00 0.00 C ATOM 539 NE ARG A 37 -9.655 2.327 7.878 1.00 0.00 N ATOM 540 CZ ARG A 37 -10.960 2.329 7.925 1.00 0.00 C ATOM 541 NH1 ARG A 37 -11.631 2.492 6.817 1.00 0.00 N ATOM 542 NH2 ARG A 37 -11.551 2.171 9.079 1.00 0.00 N ATOM 0 H ARG A 37 -10.449 0.578 1.572 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.012 2.538 3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.870 0.796 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.481 0.056 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.031 1.919 5.087 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.390 2.932 5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.417 0.387 7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.915 1.255 7.278 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.119 2.973 8.457 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.135 2.615 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.651 2.496 6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.994 2.049 9.925 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.569 2.170 9.134 1.00 0.00 H new ATOM 556 N CYS A 38 -8.584 3.402 3.291 1.00 0.00 N ATOM 557 CA CYS A 38 -7.328 4.018 2.759 1.00 0.00 C ATOM 558 C CYS A 38 -6.143 3.086 3.035 1.00 0.00 C ATOM 559 O CYS A 38 -5.986 2.596 4.136 1.00 0.00 O ATOM 560 CB CYS A 38 -7.094 5.359 3.456 1.00 0.00 C ATOM 561 SG CYS A 38 -7.933 6.812 2.777 1.00 0.00 S ATOM 0 H CYS A 38 -9.020 3.898 4.068 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.422 4.173 1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.395 5.253 4.498 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.022 5.557 3.452 1.00 0.00 H new ATOM 566 N GLU A 39 -5.329 2.854 2.036 1.00 0.00 N ATOM 567 CA GLU A 39 -4.160 1.947 2.257 1.00 0.00 C ATOM 568 C GLU A 39 -3.193 2.001 1.066 1.00 0.00 C ATOM 569 O GLU A 39 -3.445 2.674 0.087 1.00 0.00 O ATOM 570 CB GLU A 39 -4.676 0.512 2.443 1.00 0.00 C ATOM 571 CG GLU A 39 -3.517 -0.413 2.848 1.00 0.00 C ATOM 572 CD GLU A 39 -4.071 -1.591 3.654 1.00 0.00 C ATOM 573 OE1 GLU A 39 -4.905 -2.285 3.099 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.628 -1.729 4.784 1.00 0.00 O ATOM 0 H GLU A 39 -5.418 3.243 1.097 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.620 2.271 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.453 0.492 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.130 0.157 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.998 -0.776 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.787 0.138 3.441 1.00 0.00 H new ATOM 581 N CYS A 40 -2.107 1.283 1.182 1.00 0.00 N ATOM 582 CA CYS A 40 -1.097 1.276 0.080 1.00 0.00 C ATOM 583 C CYS A 40 -1.644 0.541 -1.150 1.00 0.00 C ATOM 584 O CYS A 40 -2.614 -0.186 -1.063 1.00 0.00 O ATOM 585 CB CYS A 40 0.162 0.568 0.572 1.00 0.00 C ATOM 586 SG CYS A 40 1.753 1.281 0.097 1.00 0.00 S ATOM 0 H CYS A 40 -1.875 0.703 1.988 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.870 2.304 -0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.122 0.527 1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.133 -0.461 0.213 1.00 0.00 H new ATOM 591 N ILE A 41 -1.000 0.750 -2.274 1.00 0.00 N ATOM 592 CA ILE A 41 -1.456 0.077 -3.532 1.00 0.00 C ATOM 593 C ILE A 41 -0.245 -0.460 -4.312 1.00 0.00 C ATOM 594 O ILE A 41 0.536 0.301 -4.846 1.00 0.00 O ATOM 595 CB ILE A 41 -2.204 1.093 -4.402 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.332 1.733 -3.585 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.797 0.379 -5.618 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.845 3.071 -3.020 1.00 0.00 C ATOM 0 H ILE A 41 -0.184 1.353 -2.375 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.114 -0.754 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.513 1.868 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.210 1.887 -4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.632 1.069 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.330 1.099 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.995 -0.078 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.489 -0.394 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.643 3.532 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.979 2.902 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.566 3.732 -3.840 1.00 0.00 H new ATOM 610 N ALA A 42 -0.120 -1.760 -4.361 1.00 0.00 N ATOM 611 CA ALA A 42 1.034 -2.356 -5.104 1.00 0.00 C ATOM 612 C ALA A 42 0.800 -2.262 -6.616 1.00 0.00 C ATOM 613 O ALA A 42 1.712 -1.985 -7.369 1.00 0.00 O ATOM 614 CB ALA A 42 1.181 -3.827 -4.708 1.00 0.00 C ATOM 0 H ALA A 42 -0.756 -2.429 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 42 1.941 -1.807 -4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.021 -4.267 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.360 -3.899 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.267 -4.365 -4.960 1.00 0.00 H new ATOM 620 N SER A 43 -0.416 -2.489 -7.023 1.00 0.00 N ATOM 621 CA SER A 43 -0.728 -2.426 -8.481 1.00 0.00 C ATOM 622 C SER A 43 -0.330 -1.064 -9.054 1.00 0.00 C ATOM 623 O SER A 43 -0.328 -0.872 -10.255 1.00 0.00 O ATOM 624 CB SER A 43 -2.227 -2.644 -8.681 1.00 0.00 C ATOM 625 OG SER A 43 -2.505 -3.836 -7.959 1.00 0.00 O ATOM 0 H SER A 43 -1.204 -2.714 -6.416 1.00 0.00 H new ATOM 0 HA SER A 43 -0.165 -3.202 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.806 -1.803 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.477 -2.750 -9.737 1.00 0.00 H new ATOM 0 HG SER A 43 -3.458 -4.050 -8.035 1.00 0.00 H new ATOM 631 N ALA A 44 0.000 -0.144 -8.183 1.00 0.00 N ATOM 632 CA ALA A 44 0.398 1.214 -8.665 1.00 0.00 C ATOM 633 C ALA A 44 1.921 1.356 -8.647 1.00 0.00 C ATOM 634 O ALA A 44 2.505 1.881 -9.576 1.00 0.00 O ATOM 635 CB ALA A 44 -0.218 2.266 -7.750 1.00 0.00 C ATOM 0 H ALA A 44 0.011 -0.271 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 44 0.043 1.351 -9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.067 3.260 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.304 2.173 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.141 2.118 -6.732 1.00 0.00 H new ATOM 641 N GLY A 45 2.531 0.883 -7.590 1.00 0.00 N ATOM 642 CA GLY A 45 4.020 0.978 -7.492 1.00 0.00 C ATOM 643 C GLY A 45 4.455 1.447 -6.097 1.00 0.00 C ATOM 644 O GLY A 45 5.575 1.884 -5.912 1.00 0.00 O ATOM 0 H GLY A 45 2.068 0.439 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.464 0.006 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.393 1.672 -8.245 1.00 0.00 H new ATOM 648 N PHE A 46 3.563 1.352 -5.146 1.00 0.00 N ATOM 649 CA PHE A 46 3.928 1.785 -3.762 1.00 0.00 C ATOM 650 C PHE A 46 4.412 0.581 -2.945 1.00 0.00 C ATOM 651 O PHE A 46 3.987 -0.535 -3.172 1.00 0.00 O ATOM 652 CB PHE A 46 2.705 2.395 -3.082 1.00 0.00 C ATOM 653 CG PHE A 46 2.265 3.650 -3.841 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.944 4.848 -3.684 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.180 3.602 -4.695 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.536 5.976 -4.373 1.00 0.00 C ATOM 657 CE2 PHE A 46 0.777 4.730 -5.380 1.00 0.00 C ATOM 658 CZ PHE A 46 1.456 5.914 -5.219 1.00 0.00 C ATOM 0 H PHE A 46 2.613 1.000 -5.262 1.00 0.00 H new ATOM 0 HA PHE A 46 4.727 2.524 -3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.892 1.670 -3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.940 2.647 -2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.795 4.901 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.643 2.674 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.068 6.907 -4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.074 4.682 -6.044 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.140 6.795 -5.758 1.00 0.00 H new ATOM 668 N VAL A 47 5.291 0.834 -2.013 1.00 0.00 N ATOM 669 CA VAL A 47 5.814 -0.287 -1.169 1.00 0.00 C ATOM 670 C VAL A 47 5.970 0.168 0.280 1.00 0.00 C ATOM 671 O VAL A 47 6.159 1.338 0.551 1.00 0.00 O ATOM 672 CB VAL A 47 7.170 -0.729 -1.707 1.00 0.00 C ATOM 673 CG1 VAL A 47 6.956 -1.647 -2.907 1.00 0.00 C ATOM 674 CG2 VAL A 47 7.966 0.496 -2.145 1.00 0.00 C ATOM 0 H VAL A 47 5.668 1.757 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 47 5.109 -1.117 -1.205 1.00 0.00 H new ATOM 0 HB VAL A 47 7.718 -1.260 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.922 -1.967 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.382 -2.521 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.411 -1.110 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.936 0.181 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.420 1.025 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.112 1.159 -1.292 1.00 0.00 H new ATOM 684 N ARG A 48 5.894 -0.768 1.184 1.00 0.00 N ATOM 685 CA ARG A 48 6.036 -0.404 2.621 1.00 0.00 C ATOM 686 C ARG A 48 7.503 -0.490 3.049 1.00 0.00 C ATOM 687 O ARG A 48 8.065 -1.564 3.135 1.00 0.00 O ATOM 688 CB ARG A 48 5.200 -1.362 3.465 1.00 0.00 C ATOM 689 CG ARG A 48 3.791 -0.787 3.624 1.00 0.00 C ATOM 690 CD ARG A 48 2.934 -1.774 4.416 1.00 0.00 C ATOM 691 NE ARG A 48 1.757 -1.051 4.974 1.00 0.00 N ATOM 692 CZ ARG A 48 1.877 -0.405 6.101 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.959 -1.083 7.214 1.00 0.00 N ATOM 694 NH2 ARG A 48 1.912 0.900 6.079 1.00 0.00 N ATOM 0 H ARG A 48 5.741 -1.758 0.994 1.00 0.00 H new ATOM 0 HA ARG A 48 5.689 0.619 2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.155 -2.342 2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.661 -1.503 4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.833 0.173 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.347 -0.604 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.605 -2.589 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.519 -2.220 5.221 1.00 0.00 H new ATOM 0 HE ARG A 48 0.865 -1.061 4.479 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.929 -2.102 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.053 -0.593 8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.846 1.397 5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.005 1.422 6.950 1.00 0.00 H new ATOM 708 N ASP A 49 8.091 0.645 3.309 1.00 0.00 N ATOM 709 CA ASP A 49 9.515 0.645 3.738 1.00 0.00 C ATOM 710 C ASP A 49 9.672 -0.200 4.998 1.00 0.00 C ATOM 711 O ASP A 49 8.725 -0.377 5.743 1.00 0.00 O ATOM 712 CB ASP A 49 9.953 2.069 4.040 1.00 0.00 C ATOM 713 CG ASP A 49 11.478 2.122 4.106 1.00 0.00 C ATOM 714 OD1 ASP A 49 12.072 1.952 3.055 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.965 2.326 5.206 1.00 0.00 O ATOM 0 H ASP A 49 7.651 1.563 3.244 1.00 0.00 H new ATOM 0 HA ASP A 49 10.129 0.230 2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.587 2.746 3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.524 2.401 4.985 1.00 0.00 H new ATOM 720 N ALA A 50 10.862 -0.690 5.213 1.00 0.00 N ATOM 721 CA ALA A 50 11.103 -1.531 6.418 1.00 0.00 C ATOM 722 C ALA A 50 10.466 -0.878 7.640 1.00 0.00 C ATOM 723 O ALA A 50 10.153 -1.537 8.611 1.00 0.00 O ATOM 724 CB ALA A 50 12.607 -1.670 6.638 1.00 0.00 C ATOM 0 H ALA A 50 11.672 -0.546 4.611 1.00 0.00 H new ATOM 0 HA ALA A 50 10.660 -2.516 6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.791 -2.285 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.060 -2.141 5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 50 13.046 -0.683 6.786 1.00 0.00 H new ATOM 730 N GLN A 51 10.288 0.410 7.564 1.00 0.00 N ATOM 731 CA GLN A 51 9.668 1.130 8.710 1.00 0.00 C ATOM 732 C GLN A 51 8.144 1.073 8.590 1.00 0.00 C ATOM 733 O GLN A 51 7.441 1.903 9.131 1.00 0.00 O ATOM 734 CB GLN A 51 10.129 2.586 8.696 1.00 0.00 C ATOM 735 CG GLN A 51 11.588 2.656 9.152 1.00 0.00 C ATOM 736 CD GLN A 51 12.310 3.750 8.365 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.533 3.633 7.176 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.695 4.829 8.989 1.00 0.00 N ATOM 0 H GLN A 51 10.542 0.992 6.766 1.00 0.00 H new ATOM 0 HA GLN A 51 9.971 0.659 9.645 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.028 3.002 7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.500 3.185 9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.638 2.867 10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 51 12.077 1.695 8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.511 4.934 9.987 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.180 5.568 8.479 1.00 0.00 H new ATOM 747 N GLY A 52 7.667 0.087 7.879 1.00 0.00 N ATOM 748 CA GLY A 52 6.198 -0.046 7.703 1.00 0.00 C ATOM 749 C GLY A 52 5.614 1.264 7.187 1.00 0.00 C ATOM 750 O GLY A 52 4.560 1.686 7.620 1.00 0.00 O ATOM 0 H GLY A 52 8.230 -0.627 7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.979 -0.852 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.732 -0.313 8.652 1.00 0.00 H new ATOM 754 N ASN A 53 6.317 1.882 6.265 1.00 0.00 N ATOM 755 CA ASN A 53 5.820 3.186 5.703 1.00 0.00 C ATOM 756 C ASN A 53 5.501 3.052 4.211 1.00 0.00 C ATOM 757 O ASN A 53 6.363 2.754 3.413 1.00 0.00 O ATOM 758 CB ASN A 53 6.894 4.254 5.895 1.00 0.00 C ATOM 759 CG ASN A 53 6.850 4.763 7.338 1.00 0.00 C ATOM 760 OD1 ASN A 53 6.119 5.676 7.665 1.00 0.00 O ATOM 761 ND2 ASN A 53 7.617 4.198 8.230 1.00 0.00 N ATOM 0 H ASN A 53 7.201 1.548 5.880 1.00 0.00 H new ATOM 0 HA ASN A 53 4.907 3.468 6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.878 3.841 5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.731 5.079 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.601 4.524 9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 53 8.233 3.431 7.961 1.00 0.00 H new ATOM 768 N CYS A 54 4.265 3.290 3.868 1.00 0.00 N ATOM 769 CA CYS A 54 3.863 3.183 2.432 1.00 0.00 C ATOM 770 C CYS A 54 4.464 4.337 1.624 1.00 0.00 C ATOM 771 O CYS A 54 4.096 5.481 1.806 1.00 0.00 O ATOM 772 CB CYS A 54 2.341 3.229 2.336 1.00 0.00 C ATOM 773 SG CYS A 54 1.614 3.207 0.680 1.00 0.00 S ATOM 0 H CYS A 54 3.519 3.552 4.512 1.00 0.00 H new ATOM 0 HA CYS A 54 4.233 2.242 2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.942 2.380 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.998 4.131 2.843 1.00 0.00 H new ATOM 778 N ILE A 55 5.377 4.012 0.748 1.00 0.00 N ATOM 779 CA ILE A 55 6.017 5.079 -0.078 1.00 0.00 C ATOM 780 C ILE A 55 6.420 4.523 -1.446 1.00 0.00 C ATOM 781 O ILE A 55 6.630 3.337 -1.600 1.00 0.00 O ATOM 782 CB ILE A 55 7.267 5.587 0.647 1.00 0.00 C ATOM 783 CG1 ILE A 55 8.224 4.408 0.884 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.864 6.187 1.996 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.435 4.892 1.682 1.00 0.00 C ATOM 0 H ILE A 55 5.706 3.063 0.569 1.00 0.00 H new ATOM 0 HA ILE A 55 5.307 5.893 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 55 7.759 6.348 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.712 3.612 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.546 3.989 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.753 6.549 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.175 7.016 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.377 5.424 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.116 4.058 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.950 5.673 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.103 5.291 2.641 1.00 0.00 H new ATOM 797 N LYS A 56 6.518 5.394 -2.412 1.00 0.00 N ATOM 798 CA LYS A 56 6.918 4.932 -3.778 1.00 0.00 C ATOM 799 C LYS A 56 8.187 4.078 -3.696 1.00 0.00 C ATOM 800 O LYS A 56 8.962 4.198 -2.769 1.00 0.00 O ATOM 801 CB LYS A 56 7.203 6.147 -4.668 1.00 0.00 C ATOM 802 CG LYS A 56 6.220 7.271 -4.337 1.00 0.00 C ATOM 803 CD LYS A 56 5.830 7.990 -5.632 1.00 0.00 C ATOM 804 CE LYS A 56 7.090 8.547 -6.299 1.00 0.00 C ATOM 805 NZ LYS A 56 6.773 9.786 -7.064 1.00 0.00 N ATOM 0 H LYS A 56 6.342 6.394 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 56 6.105 4.340 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.227 6.489 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.113 5.870 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.333 6.865 -3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.673 7.974 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.322 7.300 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.131 8.798 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.844 8.763 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.515 7.799 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.639 10.150 -7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.070 9.570 -7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.388 10.504 -6.418 1.00 0.00 H new ATOM 819 N PHE A 57 8.374 3.232 -4.672 1.00 0.00 N ATOM 820 CA PHE A 57 9.595 2.373 -4.672 1.00 0.00 C ATOM 821 C PHE A 57 10.843 3.244 -4.850 1.00 0.00 C ATOM 822 O PHE A 57 11.829 3.069 -4.163 1.00 0.00 O ATOM 823 CB PHE A 57 9.502 1.374 -5.825 1.00 0.00 C ATOM 824 CG PHE A 57 9.999 0.002 -5.355 1.00 0.00 C ATOM 825 CD1 PHE A 57 11.218 -0.122 -4.709 1.00 0.00 C ATOM 826 CD2 PHE A 57 9.236 -1.133 -5.572 1.00 0.00 C ATOM 827 CE1 PHE A 57 11.661 -1.358 -4.288 1.00 0.00 C ATOM 828 CE2 PHE A 57 9.683 -2.368 -5.148 1.00 0.00 C ATOM 829 CZ PHE A 57 10.895 -2.479 -4.508 1.00 0.00 C ATOM 0 H PHE A 57 7.743 3.098 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 57 9.665 1.839 -3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.472 1.300 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.100 1.720 -6.669 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.825 0.754 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.285 -1.051 -6.077 1.00 0.00 H new ATOM 0 HE1 PHE A 57 12.612 -1.446 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 57 9.080 -3.248 -5.319 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.245 -3.446 -4.178 1.00 0.00 H new ATOM 839 N GLU A 58 10.766 4.170 -5.765 1.00 0.00 N ATOM 840 CA GLU A 58 11.941 5.059 -6.005 1.00 0.00 C ATOM 841 C GLU A 58 12.203 5.937 -4.776 1.00 0.00 C ATOM 842 O GLU A 58 13.118 6.737 -4.768 1.00 0.00 O ATOM 843 CB GLU A 58 11.655 5.949 -7.214 1.00 0.00 C ATOM 844 CG GLU A 58 12.187 5.267 -8.476 1.00 0.00 C ATOM 845 CD GLU A 58 13.714 5.356 -8.496 1.00 0.00 C ATOM 846 OE1 GLU A 58 14.190 6.388 -8.943 1.00 0.00 O ATOM 847 OE2 GLU A 58 14.319 4.389 -8.064 1.00 0.00 O ATOM 0 H GLU A 58 9.951 4.350 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 58 12.822 4.445 -6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.583 6.126 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.129 6.922 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.872 4.224 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.772 5.745 -9.363 1.00 0.00 H new ATOM 854 N ASP A 59 11.390 5.762 -3.765 1.00 0.00 N ATOM 855 CA ASP A 59 11.565 6.573 -2.520 1.00 0.00 C ATOM 856 C ASP A 59 12.091 5.691 -1.382 1.00 0.00 C ATOM 857 O ASP A 59 11.796 5.921 -0.227 1.00 0.00 O ATOM 858 CB ASP A 59 10.215 7.167 -2.119 1.00 0.00 C ATOM 859 CG ASP A 59 9.763 8.163 -3.189 1.00 0.00 C ATOM 860 OD1 ASP A 59 10.440 8.210 -4.205 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.769 8.821 -2.933 1.00 0.00 O ATOM 0 H ASP A 59 10.617 5.097 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 59 12.284 7.370 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.475 6.375 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.296 7.665 -1.153 1.00 0.00 H new ATOM 866 N CYS A 60 12.859 4.697 -1.737 1.00 0.00 N ATOM 867 CA CYS A 60 13.415 3.791 -0.690 1.00 0.00 C ATOM 868 C CYS A 60 14.808 4.296 -0.245 1.00 0.00 C ATOM 869 O CYS A 60 15.455 5.030 -0.965 1.00 0.00 O ATOM 870 CB CYS A 60 13.537 2.387 -1.278 1.00 0.00 C ATOM 871 SG CYS A 60 12.247 1.199 -0.846 1.00 0.00 S ATOM 0 H CYS A 60 13.124 4.474 -2.696 1.00 0.00 H new ATOM 0 HA CYS A 60 12.755 3.776 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.565 2.476 -2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.496 1.973 -0.968 1.00 0.00 H new