USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=7 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= 0.109 USER MOD Single : A 7 LYS NZ :NH3+ -141:sc= 1.09 (180deg=0.189) USER MOD Single : A 9 ASN : amide:sc= -2.74 K(o=-2.7,f=-1.8) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 160:sc= -0.898 USER MOD Single : A 24 GLN : amide:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 0.158 (180deg=-0.22) 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 44:sc= 0.569! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 53 ASN : amide:sc= -5! K(o=-5!,f=-1.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N CYS A 5 -7.554 10.425 -0.988 1.00 0.00 N ATOM 66 CA CYS A 5 -7.214 10.253 0.456 1.00 0.00 C ATOM 67 C CYS A 5 -6.466 11.488 0.971 1.00 0.00 C ATOM 68 O CYS A 5 -6.396 12.496 0.298 1.00 0.00 O ATOM 69 CB CYS A 5 -6.342 9.008 0.620 1.00 0.00 C ATOM 70 SG CYS A 5 -7.159 7.400 0.458 1.00 0.00 S ATOM 0 HA CYS A 5 -8.131 10.136 1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.541 9.056 -0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.872 9.051 1.603 1.00 0.00 H new ATOM 75 N THR A 6 -5.924 11.381 2.155 1.00 0.00 N ATOM 76 CA THR A 6 -5.188 12.542 2.737 1.00 0.00 C ATOM 77 C THR A 6 -3.672 12.364 2.581 1.00 0.00 C ATOM 78 O THR A 6 -3.053 12.995 1.749 1.00 0.00 O ATOM 79 CB THR A 6 -5.539 12.649 4.220 1.00 0.00 C ATOM 80 OG1 THR A 6 -5.797 11.310 4.630 1.00 0.00 O ATOM 81 CG2 THR A 6 -6.854 13.395 4.430 1.00 0.00 C ATOM 0 H THR A 6 -5.958 10.547 2.741 1.00 0.00 H new ATOM 0 HA THR A 6 -5.480 13.450 2.209 1.00 0.00 H new ATOM 0 HB THR A 6 -4.740 13.162 4.756 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.030 11.298 5.582 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.073 13.453 5.496 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.770 14.402 4.022 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.659 12.863 3.922 1.00 0.00 H new ATOM 89 N LYS A 7 -3.110 11.508 3.389 1.00 0.00 N ATOM 90 CA LYS A 7 -1.631 11.288 3.313 1.00 0.00 C ATOM 91 C LYS A 7 -1.251 10.686 1.933 1.00 0.00 C ATOM 92 O LYS A 7 -2.069 10.056 1.294 1.00 0.00 O ATOM 93 CB LYS A 7 -1.213 10.316 4.424 1.00 0.00 C ATOM 94 CG LYS A 7 -2.330 10.217 5.468 1.00 0.00 C ATOM 95 CD LYS A 7 -1.787 9.524 6.718 1.00 0.00 C ATOM 96 CE LYS A 7 -2.909 9.404 7.753 1.00 0.00 C ATOM 97 NZ LYS A 7 -3.459 8.019 7.768 1.00 0.00 N ATOM 0 H LYS A 7 -3.601 10.955 4.092 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.118 12.242 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.008 9.332 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.292 10.660 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.699 11.211 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.174 9.657 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.403 8.536 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.954 10.093 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.529 9.661 8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.703 10.114 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.491 8.057 7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.233 7.546 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.037 7.487 8.556 1.00 0.00 H new ATOM 111 N PRO A 8 -0.004 10.894 1.498 1.00 0.00 N ATOM 112 CA PRO A 8 0.454 10.353 0.206 1.00 0.00 C ATOM 113 C PRO A 8 0.431 8.819 0.230 1.00 0.00 C ATOM 114 O PRO A 8 0.342 8.220 1.279 1.00 0.00 O ATOM 115 CB PRO A 8 1.893 10.860 0.043 1.00 0.00 C ATOM 116 CG PRO A 8 2.293 11.549 1.381 1.00 0.00 C ATOM 117 CD PRO A 8 1.019 11.664 2.235 1.00 0.00 C ATOM 0 HA PRO A 8 -0.187 10.669 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.569 10.035 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.961 11.563 -0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.053 10.966 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.720 12.534 1.193 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.175 11.258 3.234 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.718 12.704 2.357 1.00 0.00 H new ATOM 125 N ASN A 9 0.521 8.221 -0.929 1.00 0.00 N ATOM 126 CA ASN A 9 0.497 6.724 -0.999 1.00 0.00 C ATOM 127 C ASN A 9 -0.858 6.194 -0.522 1.00 0.00 C ATOM 128 O ASN A 9 -1.642 5.722 -1.318 1.00 0.00 O ATOM 129 CB ASN A 9 1.615 6.141 -0.127 1.00 0.00 C ATOM 130 CG ASN A 9 2.870 7.013 -0.230 1.00 0.00 C ATOM 131 OD1 ASN A 9 3.647 6.902 -1.163 1.00 0.00 O ATOM 132 ND2 ASN A 9 3.111 7.883 0.711 1.00 0.00 N ATOM 0 H ASN A 9 0.610 8.698 -1.826 1.00 0.00 H new ATOM 0 HA ASN A 9 0.653 6.420 -2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.286 6.084 0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.842 5.124 -0.445 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.946 8.467 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.464 7.980 1.494 1.00 0.00 H new ATOM 139 N GLU A 10 -1.099 6.270 0.763 1.00 0.00 N ATOM 140 CA GLU A 10 -2.408 5.784 1.294 1.00 0.00 C ATOM 141 C GLU A 10 -3.547 6.252 0.382 1.00 0.00 C ATOM 142 O GLU A 10 -4.084 7.328 0.562 1.00 0.00 O ATOM 143 CB GLU A 10 -2.616 6.344 2.703 1.00 0.00 C ATOM 144 CG GLU A 10 -1.376 6.046 3.550 1.00 0.00 C ATOM 145 CD GLU A 10 -1.739 6.148 5.035 1.00 0.00 C ATOM 146 OE1 GLU A 10 -2.771 6.747 5.300 1.00 0.00 O ATOM 147 OE2 GLU A 10 -0.968 5.622 5.818 1.00 0.00 O ATOM 0 H GLU A 10 -0.454 6.643 1.460 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.405 4.694 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.791 7.419 2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.499 5.896 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.999 5.049 3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.580 6.750 3.310 1.00 0.00 H new ATOM 154 N GLN A 11 -3.889 5.424 -0.576 1.00 0.00 N ATOM 155 CA GLN A 11 -4.978 5.798 -1.527 1.00 0.00 C ATOM 156 C GLN A 11 -6.165 4.875 -1.338 1.00 0.00 C ATOM 157 O GLN A 11 -6.033 3.796 -0.802 1.00 0.00 O ATOM 158 CB GLN A 11 -4.472 5.661 -2.957 1.00 0.00 C ATOM 159 CG GLN A 11 -5.223 6.654 -3.846 1.00 0.00 C ATOM 160 CD GLN A 11 -4.890 6.380 -5.312 1.00 0.00 C ATOM 161 OE1 GLN A 11 -5.589 5.658 -5.995 1.00 0.00 O ATOM 162 NE2 GLN A 11 -3.833 6.937 -5.835 1.00 0.00 N ATOM 0 H GLN A 11 -3.463 4.512 -0.738 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.280 6.828 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.400 5.855 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -4.626 4.643 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.297 6.564 -3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.945 7.675 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.242 7.544 -5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.597 6.766 -6.812 1.00 0.00 H new ATOM 171 N TRP A 12 -7.299 5.304 -1.787 1.00 0.00 N ATOM 172 CA TRP A 12 -8.491 4.445 -1.625 1.00 0.00 C ATOM 173 C TRP A 12 -8.284 3.111 -2.306 1.00 0.00 C ATOM 174 O TRP A 12 -7.897 3.053 -3.458 1.00 0.00 O ATOM 175 CB TRP A 12 -9.699 5.104 -2.258 1.00 0.00 C ATOM 176 CG TRP A 12 -10.881 4.129 -2.161 1.00 0.00 C ATOM 177 CD1 TRP A 12 -11.288 3.328 -3.148 1.00 0.00 C ATOM 178 CD2 TRP A 12 -11.639 3.987 -1.102 1.00 0.00 C ATOM 179 NE1 TRP A 12 -12.353 2.694 -2.617 1.00 0.00 N ATOM 180 CE2 TRP A 12 -12.642 3.063 -1.323 1.00 0.00 C ATOM 181 CE3 TRP A 12 -11.526 4.605 0.124 1.00 0.00 C ATOM 182 CZ2 TRP A 12 -13.538 2.771 -0.320 1.00 0.00 C ATOM 183 CZ3 TRP A 12 -12.417 4.310 1.130 1.00 0.00 C ATOM 184 CH2 TRP A 12 -13.427 3.393 0.910 1.00 0.00 C ATOM 0 H TRP A 12 -7.453 6.198 -2.253 1.00 0.00 H new ATOM 0 HA TRP A 12 -8.650 4.299 -0.557 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.934 6.038 -1.748 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.495 5.352 -3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.866 3.215 -4.135 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -12.897 2.001 -3.130 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.737 5.322 0.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.328 2.056 -0.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.327 4.795 2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.129 3.162 1.698 1.00 0.00 H new ATOM 195 N THR A 13 -8.537 2.068 -1.582 1.00 0.00 N ATOM 196 CA THR A 13 -8.406 0.725 -2.184 1.00 0.00 C ATOM 197 C THR A 13 -9.547 -0.159 -1.675 1.00 0.00 C ATOM 198 O THR A 13 -9.662 -0.421 -0.493 1.00 0.00 O ATOM 199 CB THR A 13 -7.043 0.122 -1.822 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.888 -0.978 -2.714 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.042 -0.492 -0.429 1.00 0.00 C ATOM 0 H THR A 13 -8.827 2.086 -0.604 1.00 0.00 H new ATOM 0 HA THR A 13 -8.467 0.794 -3.270 1.00 0.00 H new ATOM 0 HB THR A 13 -6.275 0.893 -1.874 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.029 -1.419 -2.544 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.057 -0.907 -0.215 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.280 0.276 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.788 -1.285 -0.380 1.00 0.00 H new ATOM 209 N LYS A 14 -10.386 -0.576 -2.577 1.00 0.00 N ATOM 210 CA LYS A 14 -11.533 -1.425 -2.163 1.00 0.00 C ATOM 211 C LYS A 14 -11.039 -2.661 -1.397 1.00 0.00 C ATOM 212 O LYS A 14 -11.408 -2.867 -0.257 1.00 0.00 O ATOM 213 CB LYS A 14 -12.309 -1.844 -3.406 1.00 0.00 C ATOM 214 CG LYS A 14 -13.093 -0.638 -3.930 1.00 0.00 C ATOM 215 CD LYS A 14 -14.487 -0.633 -3.302 1.00 0.00 C ATOM 216 CE LYS A 14 -15.255 0.594 -3.796 1.00 0.00 C ATOM 217 NZ LYS A 14 -16.648 0.584 -3.266 1.00 0.00 N ATOM 0 H LYS A 14 -10.329 -0.368 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.185 -0.858 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.625 -2.211 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.989 -2.662 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.568 0.286 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.171 -0.684 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.023 -1.544 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.409 -0.615 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.745 1.503 -3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.274 0.604 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.156 1.423 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.137 -0.274 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.624 0.596 -2.226 1.00 0.00 H new ATOM 231 N CYS A 15 -10.218 -3.455 -2.033 1.00 0.00 N ATOM 232 CA CYS A 15 -9.688 -4.672 -1.338 1.00 0.00 C ATOM 233 C CYS A 15 -8.294 -4.385 -0.773 1.00 0.00 C ATOM 234 O CYS A 15 -7.306 -4.476 -1.475 1.00 0.00 O ATOM 235 CB CYS A 15 -9.603 -5.830 -2.331 1.00 0.00 C ATOM 236 SG CYS A 15 -8.255 -7.018 -2.101 1.00 0.00 S ATOM 0 H CYS A 15 -9.893 -3.319 -2.990 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.359 -4.937 -0.521 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.545 -6.377 -2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.517 -5.410 -3.333 1.00 0.00 H new ATOM 241 N GLY A 16 -8.243 -4.047 0.485 1.00 0.00 N ATOM 242 CA GLY A 16 -6.923 -3.747 1.109 1.00 0.00 C ATOM 243 C GLY A 16 -6.214 -5.042 1.518 1.00 0.00 C ATOM 244 O GLY A 16 -6.531 -6.106 1.023 1.00 0.00 O ATOM 0 H GLY A 16 -9.050 -3.966 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.301 -3.191 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.064 -3.111 1.983 1.00 0.00 H new ATOM 248 N GLY A 17 -5.270 -4.917 2.415 1.00 0.00 N ATOM 249 CA GLY A 17 -4.516 -6.122 2.878 1.00 0.00 C ATOM 250 C GLY A 17 -3.011 -5.846 2.841 1.00 0.00 C ATOM 251 O GLY A 17 -2.568 -4.765 3.174 1.00 0.00 O ATOM 0 H GLY A 17 -4.989 -4.036 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.821 -6.384 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.753 -6.975 2.243 1.00 0.00 H new ATOM 255 N CYS A 18 -2.257 -6.831 2.440 1.00 0.00 N ATOM 256 CA CYS A 18 -0.780 -6.638 2.370 1.00 0.00 C ATOM 257 C CYS A 18 -0.402 -5.993 1.035 1.00 0.00 C ATOM 258 O CYS A 18 -1.260 -5.704 0.223 1.00 0.00 O ATOM 259 CB CYS A 18 -0.089 -7.996 2.494 1.00 0.00 C ATOM 260 SG CYS A 18 -0.772 -9.170 3.688 1.00 0.00 S ATOM 0 H CYS A 18 -2.594 -7.752 2.160 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.461 -5.986 3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.098 -8.470 1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.955 -7.820 2.753 1.00 0.00 H new ATOM 265 N GLU A 19 0.869 -5.781 0.834 1.00 0.00 N ATOM 266 CA GLU A 19 1.309 -5.158 -0.449 1.00 0.00 C ATOM 267 C GLU A 19 2.650 -5.743 -0.897 1.00 0.00 C ATOM 268 O GLU A 19 2.918 -6.909 -0.691 1.00 0.00 O ATOM 269 CB GLU A 19 1.447 -3.648 -0.258 1.00 0.00 C ATOM 270 CG GLU A 19 1.209 -2.960 -1.607 1.00 0.00 C ATOM 271 CD GLU A 19 1.889 -1.592 -1.621 1.00 0.00 C ATOM 272 OE1 GLU A 19 3.022 -1.540 -1.167 1.00 0.00 O ATOM 273 OE2 GLU A 19 1.240 -0.672 -2.090 1.00 0.00 O ATOM 0 H GLU A 19 1.615 -6.008 1.492 1.00 0.00 H new ATOM 0 HA GLU A 19 0.564 -5.367 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.728 -3.293 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.439 -3.404 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.601 -3.579 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.139 -2.846 -1.783 1.00 0.00 H new ATOM 280 N GLY A 20 3.462 -4.914 -1.502 1.00 0.00 N ATOM 281 CA GLY A 20 4.792 -5.396 -1.984 1.00 0.00 C ATOM 282 C GLY A 20 5.921 -4.766 -1.175 1.00 0.00 C ATOM 283 O GLY A 20 5.702 -4.232 -0.105 1.00 0.00 O ATOM 0 H GLY A 20 3.264 -3.930 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.842 -6.482 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.913 -5.150 -3.039 1.00 0.00 H new ATOM 287 N THR A 21 7.107 -4.842 -1.707 1.00 0.00 N ATOM 288 CA THR A 21 8.274 -4.253 -0.991 1.00 0.00 C ATOM 289 C THR A 21 9.296 -3.740 -2.004 1.00 0.00 C ATOM 290 O THR A 21 9.075 -3.806 -3.196 1.00 0.00 O ATOM 291 CB THR A 21 8.919 -5.325 -0.110 1.00 0.00 C ATOM 292 OG1 THR A 21 9.488 -6.254 -1.027 1.00 0.00 O ATOM 293 CG2 THR A 21 7.871 -6.115 0.669 1.00 0.00 C ATOM 0 H THR A 21 7.320 -5.284 -2.601 1.00 0.00 H new ATOM 0 HA THR A 21 7.938 -3.422 -0.370 1.00 0.00 H new ATOM 0 HB THR A 21 9.617 -4.863 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.177 -6.782 -0.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.365 -6.867 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.306 -5.437 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.192 -6.605 -0.029 1.00 0.00 H new ATOM 301 N CYS A 22 10.399 -3.249 -1.514 1.00 0.00 N ATOM 302 CA CYS A 22 11.435 -2.731 -2.445 1.00 0.00 C ATOM 303 C CYS A 22 12.119 -3.903 -3.142 1.00 0.00 C ATOM 304 O CYS A 22 13.027 -3.725 -3.929 1.00 0.00 O ATOM 305 CB CYS A 22 12.466 -1.928 -1.656 1.00 0.00 C ATOM 306 SG CYS A 22 13.690 -0.988 -2.601 1.00 0.00 S ATOM 0 H CYS A 22 10.625 -3.185 -0.522 1.00 0.00 H new ATOM 0 HA CYS A 22 10.971 -2.088 -3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.929 -1.231 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.001 -2.617 -1.003 1.00 0.00 H new ATOM 311 N ALA A 23 11.660 -5.084 -2.831 1.00 0.00 N ATOM 312 CA ALA A 23 12.265 -6.296 -3.450 1.00 0.00 C ATOM 313 C ALA A 23 11.189 -7.357 -3.724 1.00 0.00 C ATOM 314 O ALA A 23 11.487 -8.430 -4.210 1.00 0.00 O ATOM 315 CB ALA A 23 13.305 -6.861 -2.490 1.00 0.00 C ATOM 0 H ALA A 23 10.896 -5.261 -2.179 1.00 0.00 H new ATOM 0 HA ALA A 23 12.729 -6.025 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.759 -7.750 -2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.076 -6.113 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.825 -7.125 -1.548 1.00 0.00 H new ATOM 321 N GLN A 24 9.960 -7.037 -3.407 1.00 0.00 N ATOM 322 CA GLN A 24 8.863 -8.022 -3.641 1.00 0.00 C ATOM 323 C GLN A 24 7.568 -7.291 -4.013 1.00 0.00 C ATOM 324 O GLN A 24 6.749 -7.006 -3.164 1.00 0.00 O ATOM 325 CB GLN A 24 8.637 -8.834 -2.366 1.00 0.00 C ATOM 326 CG GLN A 24 9.961 -9.462 -1.925 1.00 0.00 C ATOM 327 CD GLN A 24 9.693 -10.479 -0.815 1.00 0.00 C ATOM 328 OE1 GLN A 24 10.211 -10.372 0.280 1.00 0.00 O ATOM 329 NE2 GLN A 24 8.893 -11.481 -1.054 1.00 0.00 N ATOM 0 H GLN A 24 9.672 -6.147 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 24 9.145 -8.684 -4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.245 -8.192 -1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.894 -9.611 -2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.445 -9.949 -2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.643 -8.689 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.455 -11.577 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.705 -12.169 -0.325 1.00 0.00 H new ATOM 338 N LYS A 25 7.414 -7.001 -5.275 1.00 0.00 N ATOM 339 CA LYS A 25 6.180 -6.290 -5.720 1.00 0.00 C ATOM 340 C LYS A 25 4.933 -6.941 -5.106 1.00 0.00 C ATOM 341 O LYS A 25 3.959 -6.271 -4.826 1.00 0.00 O ATOM 342 CB LYS A 25 6.086 -6.362 -7.243 1.00 0.00 C ATOM 343 CG LYS A 25 5.045 -5.346 -7.734 1.00 0.00 C ATOM 344 CD LYS A 25 5.575 -3.914 -7.553 1.00 0.00 C ATOM 345 CE LYS A 25 5.382 -3.143 -8.859 1.00 0.00 C ATOM 346 NZ LYS A 25 3.967 -3.239 -9.319 1.00 0.00 N ATOM 0 H LYS A 25 8.082 -7.223 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 25 6.231 -5.252 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.057 -6.150 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.805 -7.368 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.816 -5.527 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.115 -5.470 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.046 -3.417 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.630 -3.935 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.653 -2.097 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.047 -3.542 -9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.770 -2.477 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.813 -4.160 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.330 -3.148 -8.502 1.00 0.00 H new ATOM 360 N ILE A 26 4.987 -8.239 -4.926 1.00 0.00 N ATOM 361 CA ILE A 26 3.815 -8.958 -4.331 1.00 0.00 C ATOM 362 C ILE A 26 4.284 -9.847 -3.173 1.00 0.00 C ATOM 363 O ILE A 26 5.209 -10.622 -3.324 1.00 0.00 O ATOM 364 CB ILE A 26 3.156 -9.839 -5.406 1.00 0.00 C ATOM 365 CG1 ILE A 26 2.802 -8.996 -6.661 1.00 0.00 C ATOM 366 CG2 ILE A 26 1.892 -10.483 -4.828 1.00 0.00 C ATOM 367 CD1 ILE A 26 1.488 -8.219 -6.450 1.00 0.00 C ATOM 0 H ILE A 26 5.785 -8.828 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 26 3.097 -8.226 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 26 3.856 -10.618 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.611 -8.298 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.707 -9.650 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.422 -11.108 -5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.157 -11.096 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.196 -9.704 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.262 -7.637 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.676 -8.921 -6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.595 -7.549 -5.597 1.00 0.00 H new ATOM 379 N VAL A 27 3.629 -9.715 -2.043 1.00 0.00 N ATOM 380 CA VAL A 27 4.019 -10.546 -0.857 1.00 0.00 C ATOM 381 C VAL A 27 2.885 -11.568 -0.528 1.00 0.00 C ATOM 382 O VAL A 27 1.728 -11.200 -0.501 1.00 0.00 O ATOM 383 CB VAL A 27 4.218 -9.612 0.343 1.00 0.00 C ATOM 384 CG1 VAL A 27 2.852 -9.200 0.906 1.00 0.00 C ATOM 385 CG2 VAL A 27 5.011 -10.346 1.428 1.00 0.00 C ATOM 0 H VAL A 27 2.849 -9.075 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 27 4.937 -11.091 -1.074 1.00 0.00 H new ATOM 0 HB VAL A 27 4.763 -8.723 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.995 -8.536 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.282 -8.682 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.307 -10.088 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.155 -9.686 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.462 -11.233 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.982 -10.643 1.031 1.00 0.00 H new ATOM 395 N PRO A 28 3.227 -12.842 -0.286 1.00 0.00 N ATOM 396 CA PRO A 28 2.201 -13.843 0.045 1.00 0.00 C ATOM 397 C PRO A 28 1.474 -13.456 1.341 1.00 0.00 C ATOM 398 O PRO A 28 2.048 -12.831 2.212 1.00 0.00 O ATOM 399 CB PRO A 28 2.959 -15.160 0.238 1.00 0.00 C ATOM 400 CG PRO A 28 4.475 -14.855 0.058 1.00 0.00 C ATOM 401 CD PRO A 28 4.605 -13.375 -0.338 1.00 0.00 C ATOM 0 HA PRO A 28 1.446 -13.919 -0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.765 -15.573 1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.628 -15.903 -0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.018 -15.054 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.907 -15.497 -0.710 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.261 -12.839 0.348 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.032 -13.269 -1.336 1.00 0.00 H new ATOM 409 N CYS A 29 0.231 -13.834 1.443 1.00 0.00 N ATOM 410 CA CYS A 29 -0.536 -13.495 2.678 1.00 0.00 C ATOM 411 C CYS A 29 -1.819 -14.328 2.756 1.00 0.00 C ATOM 412 O CYS A 29 -2.626 -14.318 1.849 1.00 0.00 O ATOM 413 CB CYS A 29 -0.893 -12.010 2.651 1.00 0.00 C ATOM 414 SG CYS A 29 0.295 -10.859 3.385 1.00 0.00 S ATOM 0 H CYS A 29 -0.284 -14.357 0.735 1.00 0.00 H new ATOM 0 HA CYS A 29 0.077 -13.716 3.551 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.047 -11.719 1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.847 -11.883 3.163 1.00 0.00 H new ATOM 419 N THR A 30 -1.979 -15.032 3.844 1.00 0.00 N ATOM 420 CA THR A 30 -3.202 -15.871 4.001 1.00 0.00 C ATOM 421 C THR A 30 -4.438 -14.977 4.138 1.00 0.00 C ATOM 422 O THR A 30 -5.552 -15.456 4.195 1.00 0.00 O ATOM 423 CB THR A 30 -3.057 -16.737 5.255 1.00 0.00 C ATOM 424 OG1 THR A 30 -3.043 -15.811 6.338 1.00 0.00 O ATOM 425 CG2 THR A 30 -1.700 -17.432 5.302 1.00 0.00 C ATOM 0 H THR A 30 -1.323 -15.063 4.624 1.00 0.00 H new ATOM 0 HA THR A 30 -3.320 -16.506 3.123 1.00 0.00 H new ATOM 0 HB THR A 30 -3.849 -17.485 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.953 -16.298 7.184 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.633 -18.038 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.589 -18.072 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.908 -16.683 5.307 1.00 0.00 H new ATOM 433 N ARG A 31 -4.211 -13.692 4.186 1.00 0.00 N ATOM 434 CA ARG A 31 -5.360 -12.749 4.317 1.00 0.00 C ATOM 435 C ARG A 31 -6.299 -12.889 3.116 1.00 0.00 C ATOM 436 O ARG A 31 -6.234 -13.857 2.383 1.00 0.00 O ATOM 437 CB ARG A 31 -4.827 -11.319 4.381 1.00 0.00 C ATOM 438 CG ARG A 31 -3.992 -11.149 5.652 1.00 0.00 C ATOM 439 CD ARG A 31 -3.626 -9.672 5.815 1.00 0.00 C ATOM 440 NE ARG A 31 -2.223 -9.572 6.310 1.00 0.00 N ATOM 441 CZ ARG A 31 -1.883 -8.569 7.074 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.161 -7.355 6.683 1.00 0.00 N ATOM 443 NH2 ARG A 31 -1.277 -8.813 8.204 1.00 0.00 N ATOM 0 H ARG A 31 -3.289 -13.257 4.141 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.914 -12.982 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.220 -11.105 3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.654 -10.609 4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.553 -11.496 6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.089 -11.756 5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.727 -9.152 4.863 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.308 -9.190 6.516 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.535 -10.280 6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.636 -7.202 5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.903 -6.559 7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.076 -9.775 8.478 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.004 -8.042 8.813 1.00 0.00 H new ATOM 457 N GLU A 32 -7.155 -11.916 2.942 1.00 0.00 N ATOM 458 CA GLU A 32 -8.110 -11.963 1.793 1.00 0.00 C ATOM 459 C GLU A 32 -8.213 -10.580 1.145 1.00 0.00 C ATOM 460 O GLU A 32 -7.727 -10.364 0.053 1.00 0.00 O ATOM 461 CB GLU A 32 -9.487 -12.391 2.303 1.00 0.00 C ATOM 462 CG GLU A 32 -9.335 -13.629 3.191 1.00 0.00 C ATOM 463 CD GLU A 32 -8.698 -14.759 2.380 1.00 0.00 C ATOM 464 OE1 GLU A 32 -9.059 -14.863 1.219 1.00 0.00 O ATOM 465 OE2 GLU A 32 -7.885 -15.455 2.967 1.00 0.00 O ATOM 0 H GLU A 32 -7.235 -11.095 3.542 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.751 -12.678 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.947 -11.579 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.147 -12.610 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.717 -13.395 4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.309 -13.941 3.569 1.00 0.00 H new ATOM 472 N CYS A 33 -8.847 -9.677 1.835 1.00 0.00 N ATOM 473 CA CYS A 33 -8.994 -8.296 1.286 1.00 0.00 C ATOM 474 C CYS A 33 -9.594 -7.370 2.349 1.00 0.00 C ATOM 475 O CYS A 33 -10.798 -7.264 2.468 1.00 0.00 O ATOM 476 CB CYS A 33 -9.919 -8.334 0.067 1.00 0.00 C ATOM 477 SG CYS A 33 -9.176 -8.728 -1.537 1.00 0.00 S ATOM 0 H CYS A 33 -9.269 -9.830 2.751 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.013 -7.919 0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.703 -9.065 0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.404 -7.362 -0.017 1.00 0.00 H new ATOM 482 N LYS A 34 -8.740 -6.728 3.106 1.00 0.00 N ATOM 483 CA LYS A 34 -9.244 -5.803 4.164 1.00 0.00 C ATOM 484 C LYS A 34 -10.404 -4.949 3.590 1.00 0.00 C ATOM 485 O LYS A 34 -10.448 -4.704 2.400 1.00 0.00 O ATOM 486 CB LYS A 34 -8.092 -4.891 4.597 1.00 0.00 C ATOM 487 CG LYS A 34 -7.188 -5.651 5.576 1.00 0.00 C ATOM 488 CD LYS A 34 -7.696 -5.451 7.005 1.00 0.00 C ATOM 489 CE LYS A 34 -6.746 -6.152 7.978 1.00 0.00 C ATOM 490 NZ LYS A 34 -7.477 -6.595 9.196 1.00 0.00 N ATOM 0 H LYS A 34 -7.725 -6.804 3.038 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.611 -6.369 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.518 -4.571 3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.483 -3.990 5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.178 -6.712 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.162 -5.294 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.755 -4.388 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.703 -5.856 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.287 -7.012 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.939 -5.475 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.816 -7.069 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.895 -5.769 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.232 -7.258 8.926 1.00 0.00 H new ATOM 504 N PRO A 35 -11.326 -4.506 4.439 1.00 0.00 N ATOM 505 CA PRO A 35 -12.458 -3.698 3.967 1.00 0.00 C ATOM 506 C PRO A 35 -11.957 -2.452 3.200 1.00 0.00 C ATOM 507 O PRO A 35 -10.798 -2.098 3.279 1.00 0.00 O ATOM 508 CB PRO A 35 -13.216 -3.282 5.235 1.00 0.00 C ATOM 509 CG PRO A 35 -12.474 -3.915 6.450 1.00 0.00 C ATOM 510 CD PRO A 35 -11.314 -4.759 5.893 1.00 0.00 C ATOM 0 HA PRO A 35 -13.093 -4.255 3.278 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.245 -2.196 5.326 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.249 -3.626 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.098 -3.139 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.154 -4.535 7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.363 -4.466 6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.455 -5.818 6.111 1.00 0.00 H new ATOM 518 N PRO A 36 -12.856 -1.812 2.468 1.00 0.00 N ATOM 519 CA PRO A 36 -12.514 -0.606 1.696 1.00 0.00 C ATOM 520 C PRO A 36 -11.954 0.494 2.608 1.00 0.00 C ATOM 521 O PRO A 36 -12.592 0.892 3.562 1.00 0.00 O ATOM 522 CB PRO A 36 -13.835 -0.138 1.077 1.00 0.00 C ATOM 523 CG PRO A 36 -14.940 -1.143 1.513 1.00 0.00 C ATOM 524 CD PRO A 36 -14.264 -2.237 2.354 1.00 0.00 C ATOM 0 HA PRO A 36 -11.750 -0.819 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.080 0.870 1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.757 -0.102 -0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.712 -0.636 2.092 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.429 -1.577 0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.731 -2.326 3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.345 -3.212 1.873 1.00 0.00 H new ATOM 532 N ARG A 37 -10.775 0.966 2.291 1.00 0.00 N ATOM 533 CA ARG A 37 -10.165 2.044 3.130 1.00 0.00 C ATOM 534 C ARG A 37 -8.861 2.541 2.495 1.00 0.00 C ATOM 535 O ARG A 37 -8.263 1.860 1.688 1.00 0.00 O ATOM 536 CB ARG A 37 -9.859 1.488 4.527 1.00 0.00 C ATOM 537 CG ARG A 37 -9.833 2.642 5.535 1.00 0.00 C ATOM 538 CD ARG A 37 -8.816 2.324 6.634 1.00 0.00 C ATOM 539 NE ARG A 37 -8.982 3.302 7.745 1.00 0.00 N ATOM 540 CZ ARG A 37 -7.932 3.913 8.223 1.00 0.00 C ATOM 541 NH1 ARG A 37 -6.789 3.284 8.234 1.00 0.00 N ATOM 542 NH2 ARG A 37 -8.061 5.131 8.672 1.00 0.00 N ATOM 0 H ARG A 37 -10.213 0.657 1.498 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.868 2.874 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.614 0.756 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.899 0.971 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.567 3.573 5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.823 2.785 5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.963 1.308 7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.803 2.375 6.236 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.908 3.493 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.727 2.332 7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.957 3.744 8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.971 5.590 8.646 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.252 5.624 9.049 1.00 0.00 H new ATOM 556 N CYS A 38 -8.460 3.728 2.858 1.00 0.00 N ATOM 557 CA CYS A 38 -7.178 4.268 2.308 1.00 0.00 C ATOM 558 C CYS A 38 -6.026 3.324 2.672 1.00 0.00 C ATOM 559 O CYS A 38 -5.837 2.995 3.826 1.00 0.00 O ATOM 560 CB CYS A 38 -6.917 5.648 2.913 1.00 0.00 C ATOM 561 SG CYS A 38 -7.909 7.031 2.296 1.00 0.00 S ATOM 0 H CYS A 38 -8.955 4.343 3.503 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.248 4.349 1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.070 5.578 3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.866 5.891 2.756 1.00 0.00 H new ATOM 566 N GLU A 39 -5.276 2.907 1.684 1.00 0.00 N ATOM 567 CA GLU A 39 -4.140 1.974 1.983 1.00 0.00 C ATOM 568 C GLU A 39 -3.081 2.015 0.874 1.00 0.00 C ATOM 569 O GLU A 39 -3.091 2.888 0.029 1.00 0.00 O ATOM 570 CB GLU A 39 -4.682 0.553 2.110 1.00 0.00 C ATOM 571 CG GLU A 39 -4.262 -0.022 3.464 1.00 0.00 C ATOM 572 CD GLU A 39 -4.668 -1.495 3.537 1.00 0.00 C ATOM 573 OE1 GLU A 39 -5.857 -1.735 3.429 1.00 0.00 O ATOM 574 OE2 GLU A 39 -3.762 -2.297 3.697 1.00 0.00 O ATOM 0 H GLU A 39 -5.394 3.163 0.704 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.671 2.288 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.769 0.555 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.299 -0.070 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.184 0.077 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.734 0.537 4.272 1.00 0.00 H new ATOM 581 N CYS A 40 -2.191 1.056 0.906 1.00 0.00 N ATOM 582 CA CYS A 40 -1.107 1.012 -0.119 1.00 0.00 C ATOM 583 C CYS A 40 -1.620 0.376 -1.421 1.00 0.00 C ATOM 584 O CYS A 40 -2.644 -0.280 -1.430 1.00 0.00 O ATOM 585 CB CYS A 40 0.050 0.181 0.432 1.00 0.00 C ATOM 586 SG CYS A 40 1.726 0.785 0.125 1.00 0.00 S ATOM 0 H CYS A 40 -2.169 0.304 1.595 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.776 2.027 -0.338 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.083 0.090 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.028 -0.823 0.016 1.00 0.00 H new ATOM 591 N ILE A 41 -0.889 0.582 -2.493 1.00 0.00 N ATOM 592 CA ILE A 41 -1.320 0.009 -3.809 1.00 0.00 C ATOM 593 C ILE A 41 -0.115 -0.584 -4.557 1.00 0.00 C ATOM 594 O ILE A 41 0.723 0.138 -5.055 1.00 0.00 O ATOM 595 CB ILE A 41 -1.940 1.121 -4.660 1.00 0.00 C ATOM 596 CG1 ILE A 41 -3.046 1.822 -3.858 1.00 0.00 C ATOM 597 CG2 ILE A 41 -2.542 0.511 -5.927 1.00 0.00 C ATOM 598 CD1 ILE A 41 -2.469 3.063 -3.165 1.00 0.00 C ATOM 0 H ILE A 41 -0.021 1.117 -2.514 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.049 -0.781 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.172 1.845 -4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.863 2.109 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.461 1.139 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.985 1.300 -6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.760 0.009 -6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.311 -0.211 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.255 3.560 -2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.667 2.763 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.075 3.749 -3.915 1.00 0.00 H new ATOM 610 N ALA A 42 -0.061 -1.886 -4.628 1.00 0.00 N ATOM 611 CA ALA A 42 1.084 -2.533 -5.341 1.00 0.00 C ATOM 612 C ALA A 42 0.917 -2.395 -6.858 1.00 0.00 C ATOM 613 O ALA A 42 1.858 -2.092 -7.565 1.00 0.00 O ATOM 614 CB ALA A 42 1.124 -4.016 -4.978 1.00 0.00 C ATOM 0 H ALA A 42 -0.749 -2.525 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 42 2.010 -2.043 -5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.956 -4.495 -5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.255 -4.124 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.190 -4.490 -5.279 1.00 0.00 H new ATOM 620 N SER A 43 -0.281 -2.615 -7.320 1.00 0.00 N ATOM 621 CA SER A 43 -0.535 -2.521 -8.788 1.00 0.00 C ATOM 622 C SER A 43 -0.093 -1.158 -9.326 1.00 0.00 C ATOM 623 O SER A 43 -0.107 -0.931 -10.520 1.00 0.00 O ATOM 624 CB SER A 43 -2.028 -2.708 -9.046 1.00 0.00 C ATOM 625 OG SER A 43 -2.325 -1.766 -10.067 1.00 0.00 O ATOM 0 H SER A 43 -1.093 -2.855 -6.751 1.00 0.00 H new ATOM 0 HA SER A 43 0.036 -3.297 -9.297 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.253 -3.726 -9.365 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.614 -2.519 -8.147 1.00 0.00 H new ATOM 0 HG SER A 43 -1.623 -1.792 -10.751 1.00 0.00 H new ATOM 631 N ALA A 44 0.293 -0.282 -8.436 1.00 0.00 N ATOM 632 CA ALA A 44 0.737 1.077 -8.884 1.00 0.00 C ATOM 633 C ALA A 44 2.262 1.192 -8.814 1.00 0.00 C ATOM 634 O ALA A 44 2.889 1.682 -9.734 1.00 0.00 O ATOM 635 CB ALA A 44 0.114 2.126 -7.976 1.00 0.00 C ATOM 0 H ALA A 44 0.321 -0.443 -7.429 1.00 0.00 H new ATOM 0 HA ALA A 44 0.419 1.233 -9.915 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.432 3.119 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.972 2.057 -8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.435 1.955 -6.949 1.00 0.00 H new ATOM 641 N GLY A 45 2.822 0.733 -7.726 1.00 0.00 N ATOM 642 CA GLY A 45 4.305 0.811 -7.567 1.00 0.00 C ATOM 643 C GLY A 45 4.673 1.305 -6.164 1.00 0.00 C ATOM 644 O GLY A 45 5.719 1.895 -5.964 1.00 0.00 O ATOM 0 H GLY A 45 2.321 0.310 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.747 -0.170 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.721 1.484 -8.316 1.00 0.00 H new ATOM 648 N PHE A 46 3.800 1.058 -5.223 1.00 0.00 N ATOM 649 CA PHE A 46 4.088 1.499 -3.825 1.00 0.00 C ATOM 650 C PHE A 46 4.676 0.332 -3.022 1.00 0.00 C ATOM 651 O PHE A 46 4.358 -0.815 -3.270 1.00 0.00 O ATOM 652 CB PHE A 46 2.788 1.965 -3.165 1.00 0.00 C ATOM 653 CG PHE A 46 2.359 3.311 -3.763 1.00 0.00 C ATOM 654 CD1 PHE A 46 2.822 4.501 -3.227 1.00 0.00 C ATOM 655 CD2 PHE A 46 1.498 3.354 -4.849 1.00 0.00 C ATOM 656 CE1 PHE A 46 2.430 5.709 -3.769 1.00 0.00 C ATOM 657 CE2 PHE A 46 1.111 4.565 -5.385 1.00 0.00 C ATOM 658 CZ PHE A 46 1.576 5.739 -4.846 1.00 0.00 C ATOM 0 H PHE A 46 2.911 0.576 -5.358 1.00 0.00 H new ATOM 0 HA PHE A 46 4.806 2.319 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.005 1.222 -3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.930 2.063 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.493 4.484 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.128 2.434 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.795 6.633 -3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.440 4.590 -6.231 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.271 6.685 -5.268 1.00 0.00 H new ATOM 668 N VAL A 47 5.526 0.652 -2.080 1.00 0.00 N ATOM 669 CA VAL A 47 6.152 -0.426 -1.245 1.00 0.00 C ATOM 670 C VAL A 47 6.117 -0.040 0.232 1.00 0.00 C ATOM 671 O VAL A 47 6.038 1.123 0.568 1.00 0.00 O ATOM 672 CB VAL A 47 7.602 -0.623 -1.679 1.00 0.00 C ATOM 673 CG1 VAL A 47 7.632 -1.408 -2.986 1.00 0.00 C ATOM 674 CG2 VAL A 47 8.261 0.739 -1.895 1.00 0.00 C ATOM 0 H VAL A 47 5.814 1.603 -1.852 1.00 0.00 H new ATOM 0 HA VAL A 47 5.592 -1.351 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 47 8.142 -1.170 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.666 -1.552 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.160 -2.379 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.092 -0.855 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.296 0.597 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.722 1.285 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.235 1.307 -0.965 1.00 0.00 H new ATOM 684 N ARG A 48 6.182 -1.027 1.085 1.00 0.00 N ATOM 685 CA ARG A 48 6.148 -0.734 2.546 1.00 0.00 C ATOM 686 C ARG A 48 7.566 -0.733 3.129 1.00 0.00 C ATOM 687 O ARG A 48 8.284 -1.706 3.020 1.00 0.00 O ATOM 688 CB ARG A 48 5.307 -1.800 3.248 1.00 0.00 C ATOM 689 CG ARG A 48 3.834 -1.394 3.186 1.00 0.00 C ATOM 690 CD ARG A 48 2.965 -2.595 3.562 1.00 0.00 C ATOM 691 NE ARG A 48 1.536 -2.173 3.576 1.00 0.00 N ATOM 692 CZ ARG A 48 0.869 -2.205 4.697 1.00 0.00 C ATOM 693 NH1 ARG A 48 1.038 -3.219 5.501 1.00 0.00 N ATOM 694 NH2 ARG A 48 0.058 -1.222 4.978 1.00 0.00 N ATOM 0 H ARG A 48 6.256 -2.013 0.837 1.00 0.00 H new ATOM 0 HA ARG A 48 5.709 0.252 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.451 -2.768 2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.625 -1.907 4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.644 -0.565 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.582 -1.047 2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.112 -3.405 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.254 -2.978 4.541 1.00 0.00 H new ATOM 0 HE ARG A 48 1.083 -1.862 2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.682 -3.968 5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.526 -3.262 6.382 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.047 -0.445 4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.471 -1.231 5.850 1.00 0.00 H new ATOM 708 N ASP A 49 7.934 0.364 3.735 1.00 0.00 N ATOM 709 CA ASP A 49 9.297 0.445 4.334 1.00 0.00 C ATOM 710 C ASP A 49 9.351 -0.385 5.616 1.00 0.00 C ATOM 711 O ASP A 49 8.343 -0.585 6.269 1.00 0.00 O ATOM 712 CB ASP A 49 9.619 1.903 4.657 1.00 0.00 C ATOM 713 CG ASP A 49 11.134 2.071 4.775 1.00 0.00 C ATOM 714 OD1 ASP A 49 11.635 1.742 5.838 1.00 0.00 O ATOM 715 OD2 ASP A 49 11.707 2.523 3.796 1.00 0.00 O ATOM 0 H ASP A 49 7.357 1.199 3.841 1.00 0.00 H new ATOM 0 HA ASP A 49 10.027 0.055 3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.229 2.555 3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.135 2.197 5.589 1.00 0.00 H new ATOM 720 N ALA A 50 10.530 -0.839 5.953 1.00 0.00 N ATOM 721 CA ALA A 50 10.682 -1.669 7.183 1.00 0.00 C ATOM 722 C ALA A 50 9.882 -1.057 8.329 1.00 0.00 C ATOM 723 O ALA A 50 9.469 -1.745 9.241 1.00 0.00 O ATOM 724 CB ALA A 50 12.159 -1.732 7.568 1.00 0.00 C ATOM 0 H ALA A 50 11.391 -0.671 5.432 1.00 0.00 H new ATOM 0 HA ALA A 50 10.308 -2.674 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.275 -2.338 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.729 -2.179 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.528 -0.725 7.759 1.00 0.00 H new ATOM 730 N GLN A 51 9.683 0.225 8.256 1.00 0.00 N ATOM 731 CA GLN A 51 8.906 0.904 9.331 1.00 0.00 C ATOM 732 C GLN A 51 7.408 0.736 9.069 1.00 0.00 C ATOM 733 O GLN A 51 6.601 1.512 9.540 1.00 0.00 O ATOM 734 CB GLN A 51 9.258 2.391 9.344 1.00 0.00 C ATOM 735 CG GLN A 51 10.667 2.569 9.916 1.00 0.00 C ATOM 736 CD GLN A 51 11.310 3.813 9.300 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.644 4.782 8.994 1.00 0.00 O ATOM 738 NE2 GLN A 51 12.600 3.828 9.103 1.00 0.00 N ATOM 0 H GLN A 51 10.020 0.830 7.507 1.00 0.00 H new ATOM 0 HA GLN A 51 9.154 0.460 10.295 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.208 2.798 8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.536 2.943 9.946 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.622 2.668 11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.273 1.689 9.702 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.164 3.017 9.358 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.044 4.650 8.694 1.00 0.00 H new ATOM 747 N GLY A 52 7.071 -0.279 8.318 1.00 0.00 N ATOM 748 CA GLY A 52 5.636 -0.509 8.008 1.00 0.00 C ATOM 749 C GLY A 52 5.016 0.773 7.464 1.00 0.00 C ATOM 750 O GLY A 52 3.879 1.088 7.758 1.00 0.00 O ATOM 0 H GLY A 52 7.722 -0.951 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.536 -1.311 7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.107 -0.828 8.906 1.00 0.00 H new ATOM 754 N ASN A 53 5.785 1.487 6.678 1.00 0.00 N ATOM 755 CA ASN A 53 5.269 2.773 6.101 1.00 0.00 C ATOM 756 C ASN A 53 5.108 2.658 4.582 1.00 0.00 C ATOM 757 O ASN A 53 6.056 2.388 3.874 1.00 0.00 O ATOM 758 CB ASN A 53 6.260 3.891 6.421 1.00 0.00 C ATOM 759 CG ASN A 53 5.996 4.412 7.833 1.00 0.00 C ATOM 760 OD1 ASN A 53 5.215 5.321 8.035 1.00 0.00 O ATOM 761 ND2 ASN A 53 6.624 3.866 8.837 1.00 0.00 N ATOM 0 H ASN A 53 6.738 1.240 6.412 1.00 0.00 H new ATOM 0 HA ASN A 53 4.295 2.993 6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.282 3.520 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.159 4.700 5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.459 4.202 9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.281 3.103 8.674 1.00 0.00 H new ATOM 768 N CYS A 54 3.909 2.873 4.113 1.00 0.00 N ATOM 769 CA CYS A 54 3.673 2.781 2.643 1.00 0.00 C ATOM 770 C CYS A 54 4.300 3.980 1.934 1.00 0.00 C ATOM 771 O CYS A 54 3.976 5.115 2.223 1.00 0.00 O ATOM 772 CB CYS A 54 2.171 2.753 2.375 1.00 0.00 C ATOM 773 SG CYS A 54 1.641 2.731 0.648 1.00 0.00 S ATOM 0 H CYS A 54 3.091 3.106 4.676 1.00 0.00 H new ATOM 0 HA CYS A 54 4.131 1.868 2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.756 1.873 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.726 3.625 2.854 1.00 0.00 H new ATOM 778 N ILE A 55 5.187 3.704 1.018 1.00 0.00 N ATOM 779 CA ILE A 55 5.857 4.817 0.289 1.00 0.00 C ATOM 780 C ILE A 55 6.166 4.412 -1.157 1.00 0.00 C ATOM 781 O ILE A 55 6.314 3.248 -1.463 1.00 0.00 O ATOM 782 CB ILE A 55 7.163 5.160 1.010 1.00 0.00 C ATOM 783 CG1 ILE A 55 7.956 3.865 1.262 1.00 0.00 C ATOM 784 CG2 ILE A 55 6.843 5.836 2.351 1.00 0.00 C ATOM 785 CD1 ILE A 55 9.450 4.189 1.296 1.00 0.00 C ATOM 0 H ILE A 55 5.475 2.764 0.745 1.00 0.00 H new ATOM 0 HA ILE A 55 5.193 5.681 0.270 1.00 0.00 H new ATOM 0 HB ILE A 55 7.756 5.838 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.648 3.414 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.747 3.138 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.772 6.081 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.276 6.749 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.254 5.158 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.017 3.275 1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.750 4.622 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.650 4.902 2.096 1.00 0.00 H new ATOM 797 N LYS A 56 6.259 5.392 -2.013 1.00 0.00 N ATOM 798 CA LYS A 56 6.557 5.096 -3.449 1.00 0.00 C ATOM 799 C LYS A 56 7.830 4.246 -3.571 1.00 0.00 C ATOM 800 O LYS A 56 8.594 4.124 -2.633 1.00 0.00 O ATOM 801 CB LYS A 56 6.773 6.412 -4.197 1.00 0.00 C ATOM 802 CG LYS A 56 5.960 7.522 -3.527 1.00 0.00 C ATOM 803 CD LYS A 56 5.664 8.617 -4.556 1.00 0.00 C ATOM 804 CE LYS A 56 5.135 9.857 -3.831 1.00 0.00 C ATOM 805 NZ LYS A 56 4.945 10.980 -4.791 1.00 0.00 N ATOM 0 H LYS A 56 6.143 6.380 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 56 5.718 4.546 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.831 6.672 -4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.471 6.304 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.029 7.118 -3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.513 7.937 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.568 8.864 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.930 8.264 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.189 9.624 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.833 10.154 -3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.586 11.814 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.855 11.212 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.262 10.699 -5.523 1.00 0.00 H new ATOM 819 N PHE A 57 8.027 3.677 -4.733 1.00 0.00 N ATOM 820 CA PHE A 57 9.249 2.844 -4.951 1.00 0.00 C ATOM 821 C PHE A 57 10.497 3.733 -4.976 1.00 0.00 C ATOM 822 O PHE A 57 11.530 3.374 -4.446 1.00 0.00 O ATOM 823 CB PHE A 57 9.119 2.115 -6.287 1.00 0.00 C ATOM 824 CG PHE A 57 9.323 0.615 -6.072 1.00 0.00 C ATOM 825 CD1 PHE A 57 10.587 0.105 -5.830 1.00 0.00 C ATOM 826 CD2 PHE A 57 8.246 -0.253 -6.116 1.00 0.00 C ATOM 827 CE1 PHE A 57 10.770 -1.248 -5.637 1.00 0.00 C ATOM 828 CE2 PHE A 57 8.432 -1.606 -5.923 1.00 0.00 C ATOM 829 CZ PHE A 57 9.693 -2.102 -5.684 1.00 0.00 C ATOM 0 H PHE A 57 7.401 3.752 -5.534 1.00 0.00 H new ATOM 0 HA PHE A 57 9.345 2.124 -4.138 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.136 2.301 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.856 2.495 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.436 0.772 -5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.254 0.131 -6.303 1.00 0.00 H new ATOM 0 HE1 PHE A 57 11.760 -1.637 -5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.587 -2.277 -5.960 1.00 0.00 H new ATOM 0 HZ PHE A 57 9.837 -3.162 -5.533 1.00 0.00 H new ATOM 839 N GLU A 58 10.373 4.878 -5.594 1.00 0.00 N ATOM 840 CA GLU A 58 11.544 5.803 -5.670 1.00 0.00 C ATOM 841 C GLU A 58 12.045 6.147 -4.264 1.00 0.00 C ATOM 842 O GLU A 58 13.201 6.473 -4.076 1.00 0.00 O ATOM 843 CB GLU A 58 11.123 7.084 -6.387 1.00 0.00 C ATOM 844 CG GLU A 58 12.131 8.189 -6.068 1.00 0.00 C ATOM 845 CD GLU A 58 12.053 9.272 -7.147 1.00 0.00 C ATOM 846 OE1 GLU A 58 11.119 10.052 -7.065 1.00 0.00 O ATOM 847 OE2 GLU A 58 12.932 9.257 -7.993 1.00 0.00 O ATOM 0 H GLU A 58 9.521 5.211 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 58 12.349 5.315 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.078 6.915 -7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.124 7.382 -6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.919 8.619 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.139 7.776 -6.023 1.00 0.00 H new ATOM 854 N ASP A 59 11.166 6.068 -3.304 1.00 0.00 N ATOM 855 CA ASP A 59 11.578 6.389 -1.905 1.00 0.00 C ATOM 856 C ASP A 59 12.026 5.112 -1.187 1.00 0.00 C ATOM 857 O ASP A 59 12.027 5.046 0.024 1.00 0.00 O ATOM 858 CB ASP A 59 10.392 7.003 -1.162 1.00 0.00 C ATOM 859 CG ASP A 59 10.156 8.426 -1.673 1.00 0.00 C ATOM 860 OD1 ASP A 59 11.146 9.128 -1.797 1.00 0.00 O ATOM 861 OD2 ASP A 59 8.999 8.730 -1.914 1.00 0.00 O ATOM 0 H ASP A 59 10.190 5.798 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 59 12.408 7.096 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.499 6.397 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.588 7.017 -0.090 1.00 0.00 H new ATOM 866 N CYS A 60 12.406 4.130 -1.958 1.00 0.00 N ATOM 867 CA CYS A 60 12.856 2.845 -1.347 1.00 0.00 C ATOM 868 C CYS A 60 13.803 3.129 -0.158 1.00 0.00 C ATOM 869 O CYS A 60 14.374 4.199 -0.066 1.00 0.00 O ATOM 870 CB CYS A 60 13.595 2.033 -2.412 1.00 0.00 C ATOM 871 SG CYS A 60 12.695 0.667 -3.189 1.00 0.00 S ATOM 0 H CYS A 60 12.425 4.160 -2.977 1.00 0.00 H new ATOM 0 HA CYS A 60 11.994 2.287 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.913 2.718 -3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.499 1.627 -1.959 1.00 0.00 H new