USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 385 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot -130:sc= 0.969 USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0.837 USER MOD Set 2.1: A 15 THR OG1 : rot 5:sc= 1 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.0412 USER MOD Set 2.3: A 21 GLN : amide:sc= -0.0661 K(o=0.98,f=1.6) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.757 K(o=-0.76,f=-2.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 126:sc= 0.384 USER MOD Single : A 58 TYR OH : rot 165:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0969 USER MOD ----------------------------------------------------------------- ATOM 92 N ALA A 7 0.622 10.222 -2.301 1.00 0.00 N ATOM 93 CA ALA A 7 1.045 8.827 -2.254 1.00 0.00 C ATOM 94 C ALA A 7 1.929 8.564 -1.036 1.00 0.00 C ATOM 95 O ALA A 7 3.061 9.040 -0.975 1.00 0.00 O ATOM 96 CB ALA A 7 1.757 8.450 -3.555 1.00 0.00 C ATOM 0 HA ALA A 7 0.161 8.197 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.069 7.407 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.077 8.590 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.633 9.085 -3.688 1.00 0.00 H new ATOM 102 N CYS A 8 1.379 7.826 -0.065 1.00 0.00 N ATOM 103 CA CYS A 8 2.039 7.468 1.184 1.00 0.00 C ATOM 104 C CYS A 8 1.914 5.966 1.408 1.00 0.00 C ATOM 105 O CYS A 8 1.355 5.243 0.588 1.00 0.00 O ATOM 106 CB CYS A 8 1.406 8.214 2.365 1.00 0.00 C ATOM 107 SG CYS A 8 -0.277 7.662 2.763 1.00 0.00 S ATOM 0 H CYS A 8 0.432 7.452 -0.134 1.00 0.00 H new ATOM 0 HA CYS A 8 3.090 7.749 1.117 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.038 8.086 3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.385 9.280 2.140 1.00 0.00 H new ATOM 112 N CYS A 9 2.412 5.528 2.563 1.00 0.00 N ATOM 113 CA CYS A 9 2.307 4.173 3.085 1.00 0.00 C ATOM 114 C CYS A 9 2.845 4.190 4.515 1.00 0.00 C ATOM 115 O CYS A 9 3.608 5.086 4.862 1.00 0.00 O ATOM 116 CB CYS A 9 3.109 3.209 2.205 1.00 0.00 C ATOM 117 SG CYS A 9 3.026 1.468 2.689 1.00 0.00 S ATOM 0 H CYS A 9 2.927 6.145 3.191 1.00 0.00 H new ATOM 0 HA CYS A 9 1.272 3.832 3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.755 3.301 1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.153 3.521 2.211 1.00 0.00 H new ATOM 122 N ASP A 10 2.462 3.214 5.345 1.00 0.00 N ATOM 123 CA ASP A 10 2.883 3.123 6.734 1.00 0.00 C ATOM 124 C ASP A 10 3.917 2.006 6.857 1.00 0.00 C ATOM 125 O ASP A 10 5.056 2.266 7.240 1.00 0.00 O ATOM 126 CB ASP A 10 1.657 2.839 7.606 1.00 0.00 C ATOM 127 CG ASP A 10 0.702 4.029 7.662 1.00 0.00 C ATOM 128 OD1 ASP A 10 -0.332 3.997 6.999 1.00 0.00 O ATOM 129 OD2 ASP A 10 1.061 5.052 8.488 1.00 0.00 O ATOM 0 H ASP A 10 1.841 2.457 5.059 1.00 0.00 H new ATOM 0 HA ASP A 10 3.335 4.057 7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.129 1.969 7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.982 2.588 8.616 1.00 0.00 H new ATOM 135 N PHE A 11 3.518 0.773 6.523 1.00 0.00 N ATOM 136 CA PHE A 11 4.341 -0.420 6.622 1.00 0.00 C ATOM 137 C PHE A 11 4.585 -0.960 5.214 1.00 0.00 C ATOM 138 O PHE A 11 3.638 -1.357 4.532 1.00 0.00 O ATOM 139 CB PHE A 11 3.627 -1.444 7.511 1.00 0.00 C ATOM 140 CG PHE A 11 3.143 -0.910 8.851 1.00 0.00 C ATOM 141 CD1 PHE A 11 3.978 -0.094 9.639 1.00 0.00 C ATOM 142 CD2 PHE A 11 1.846 -1.218 9.305 1.00 0.00 C ATOM 143 CE1 PHE A 11 3.494 0.470 10.832 1.00 0.00 C ATOM 144 CE2 PHE A 11 1.363 -0.657 10.500 1.00 0.00 C ATOM 145 CZ PHE A 11 2.183 0.196 11.258 1.00 0.00 C ATOM 0 H PHE A 11 2.582 0.581 6.166 1.00 0.00 H new ATOM 0 HA PHE A 11 5.307 -0.198 7.076 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.771 -1.841 6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.304 -2.278 7.693 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.993 0.099 9.326 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.220 -1.887 8.733 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.130 1.114 11.421 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.361 -0.882 10.836 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.806 0.641 12.167 1.00 0.00 H new ATOM 155 N CYS A 12 5.855 -0.942 4.786 1.00 0.00 N ATOM 156 CA CYS A 12 6.287 -1.284 3.442 1.00 0.00 C ATOM 157 C CYS A 12 7.468 -2.257 3.448 1.00 0.00 C ATOM 158 O CYS A 12 8.604 -1.844 3.219 1.00 0.00 O ATOM 159 CB CYS A 12 6.594 -0.012 2.652 1.00 0.00 C ATOM 160 SG CYS A 12 7.723 1.187 3.403 1.00 0.00 S ATOM 0 H CYS A 12 6.630 -0.678 5.395 1.00 0.00 H new ATOM 0 HA CYS A 12 5.470 -1.806 2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.009 -0.307 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.650 0.495 2.451 1.00 0.00 H new ATOM 165 N PRO A 13 7.222 -3.558 3.669 1.00 0.00 N ATOM 166 CA PRO A 13 8.247 -4.580 3.550 1.00 0.00 C ATOM 167 C PRO A 13 8.630 -4.803 2.082 1.00 0.00 C ATOM 168 O PRO A 13 7.904 -4.425 1.157 1.00 0.00 O ATOM 169 CB PRO A 13 7.644 -5.838 4.179 1.00 0.00 C ATOM 170 CG PRO A 13 6.147 -5.662 3.934 1.00 0.00 C ATOM 171 CD PRO A 13 5.953 -4.152 4.062 1.00 0.00 C ATOM 0 HA PRO A 13 9.170 -4.294 4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.025 -6.746 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.873 -5.907 5.242 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.854 -6.024 2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.551 -6.209 4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.143 -3.805 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.691 -3.876 5.083 1.00 0.00 H new ATOM 179 N CYS A 14 9.799 -5.425 1.891 1.00 0.00 N ATOM 180 CA CYS A 14 10.347 -5.756 0.591 1.00 0.00 C ATOM 181 C CYS A 14 10.835 -7.203 0.598 1.00 0.00 C ATOM 182 O CYS A 14 11.117 -7.773 1.651 1.00 0.00 O ATOM 183 CB CYS A 14 11.491 -4.795 0.244 1.00 0.00 C ATOM 184 SG CYS A 14 11.149 -3.015 0.394 1.00 0.00 S ATOM 0 H CYS A 14 10.398 -5.716 2.664 1.00 0.00 H new ATOM 0 HA CYS A 14 9.573 -5.652 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.339 -5.032 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.802 -4.995 -0.781 1.00 0.00 H new ATOM 189 N THR A 15 10.914 -7.791 -0.597 1.00 0.00 N ATOM 190 CA THR A 15 11.302 -9.171 -0.824 1.00 0.00 C ATOM 191 C THR A 15 12.827 -9.292 -0.879 1.00 0.00 C ATOM 192 O THR A 15 13.533 -8.295 -1.028 1.00 0.00 O ATOM 193 CB THR A 15 10.671 -9.654 -2.139 1.00 0.00 C ATOM 194 OG1 THR A 15 11.110 -8.834 -3.198 1.00 0.00 O ATOM 195 CG2 THR A 15 9.139 -9.623 -2.098 1.00 0.00 C ATOM 0 H THR A 15 10.700 -7.294 -1.462 1.00 0.00 H new ATOM 0 HA THR A 15 10.947 -9.793 -0.003 1.00 0.00 H new ATOM 0 HB THR A 15 10.984 -10.688 -2.287 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.775 -8.196 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.742 -9.974 -3.051 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.783 -10.271 -1.297 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.800 -8.603 -1.917 1.00 0.00 H new ATOM 203 N ARG A 16 13.318 -10.531 -0.770 1.00 0.00 N ATOM 204 CA ARG A 16 14.736 -10.875 -0.824 1.00 0.00 C ATOM 205 C ARG A 16 15.114 -11.599 -2.121 1.00 0.00 C ATOM 206 O ARG A 16 16.253 -12.035 -2.277 1.00 0.00 O ATOM 207 CB ARG A 16 15.100 -11.705 0.408 1.00 0.00 C ATOM 208 CG ARG A 16 14.269 -12.985 0.555 1.00 0.00 C ATOM 209 CD ARG A 16 14.756 -13.789 1.765 1.00 0.00 C ATOM 210 NE ARG A 16 13.889 -14.945 2.033 1.00 0.00 N ATOM 211 CZ ARG A 16 12.717 -14.903 2.691 1.00 0.00 C ATOM 212 NH1 ARG A 16 12.214 -13.739 3.130 1.00 0.00 N ATOM 213 NH2 ARG A 16 12.041 -16.038 2.912 1.00 0.00 N ATOM 0 H ARG A 16 12.718 -11.345 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 16 15.313 -9.950 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 16 16.156 -11.971 0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 16 14.969 -11.092 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.215 -12.733 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 16 14.351 -13.588 -0.350 1.00 0.00 H new ATOM 0 HD2 ARG A 16 15.775 -14.132 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 16 14.785 -13.144 2.643 1.00 0.00 H new ATOM 0 HE ARG A 16 14.202 -15.854 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.722 -12.870 2.966 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.324 -13.723 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.416 -16.927 2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.151 -16.013 3.411 1.00 0.00 H new ATOM 227 N SER A 17 14.164 -11.716 -3.052 1.00 0.00 N ATOM 228 CA SER A 17 14.361 -12.271 -4.379 1.00 0.00 C ATOM 229 C SER A 17 15.145 -11.301 -5.264 1.00 0.00 C ATOM 230 O SER A 17 15.474 -10.190 -4.851 1.00 0.00 O ATOM 231 CB SER A 17 12.988 -12.598 -4.974 1.00 0.00 C ATOM 232 OG SER A 17 12.064 -11.567 -4.692 1.00 0.00 O ATOM 0 H SER A 17 13.204 -11.414 -2.889 1.00 0.00 H new ATOM 0 HA SER A 17 14.952 -13.185 -4.319 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.075 -12.730 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.624 -13.541 -4.566 1.00 0.00 H new ATOM 0 HG SER A 17 11.193 -11.793 -5.081 1.00 0.00 H new ATOM 238 N ILE A 18 15.452 -11.755 -6.484 1.00 0.00 N ATOM 239 CA ILE A 18 16.251 -11.036 -7.466 1.00 0.00 C ATOM 240 C ILE A 18 15.447 -10.915 -8.772 1.00 0.00 C ATOM 241 O ILE A 18 15.137 -11.937 -9.382 1.00 0.00 O ATOM 242 CB ILE A 18 17.612 -11.749 -7.627 1.00 0.00 C ATOM 243 CG1 ILE A 18 18.597 -10.957 -8.505 1.00 0.00 C ATOM 244 CG2 ILE A 18 17.507 -13.185 -8.167 1.00 0.00 C ATOM 245 CD1 ILE A 18 19.166 -9.721 -7.799 1.00 0.00 C ATOM 0 H ILE A 18 15.137 -12.665 -6.820 1.00 0.00 H new ATOM 0 HA ILE A 18 16.472 -10.019 -7.143 1.00 0.00 H new ATOM 0 HB ILE A 18 17.997 -11.802 -6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 18 19.418 -11.610 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.092 -10.646 -9.419 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.505 -13.616 -8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 18 16.908 -13.788 -7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.034 -13.171 -9.149 1.00 0.00 H new ATOM 0 HD11 ILE A 18 19.854 -9.204 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.351 -9.050 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 18 19.698 -10.029 -6.899 1.00 0.00 H new ATOM 257 N PRO A 19 15.069 -9.701 -9.215 1.00 0.00 N ATOM 258 CA PRO A 19 15.224 -8.426 -8.525 1.00 0.00 C ATOM 259 C PRO A 19 14.269 -8.363 -7.324 1.00 0.00 C ATOM 260 O PRO A 19 13.216 -8.999 -7.354 1.00 0.00 O ATOM 261 CB PRO A 19 14.850 -7.364 -9.562 1.00 0.00 C ATOM 262 CG PRO A 19 13.808 -8.078 -10.420 1.00 0.00 C ATOM 263 CD PRO A 19 14.330 -9.514 -10.453 1.00 0.00 C ATOM 0 HA PRO A 19 16.234 -8.281 -8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.443 -6.468 -9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 19 15.713 -7.052 -10.150 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.812 -8.019 -9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.742 -7.648 -11.419 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.508 -10.226 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.972 -9.676 -11.319 1.00 0.00 H new ATOM 271 N PRO A 20 14.607 -7.603 -6.269 1.00 0.00 N ATOM 272 CA PRO A 20 13.738 -7.411 -5.121 1.00 0.00 C ATOM 273 C PRO A 20 12.666 -6.367 -5.451 1.00 0.00 C ATOM 274 O PRO A 20 12.964 -5.327 -6.037 1.00 0.00 O ATOM 275 CB PRO A 20 14.664 -6.923 -4.005 1.00 0.00 C ATOM 276 CG PRO A 20 15.736 -6.140 -4.764 1.00 0.00 C ATOM 277 CD PRO A 20 15.875 -6.915 -6.077 1.00 0.00 C ATOM 0 HA PRO A 20 13.210 -8.320 -4.832 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.136 -6.294 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.092 -7.754 -3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 20 15.433 -5.107 -4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 20 16.676 -6.109 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 20 16.084 -6.241 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 20 16.701 -7.625 -6.026 1.00 0.00 H new ATOM 285 N GLN A 21 11.420 -6.644 -5.055 1.00 0.00 N ATOM 286 CA GLN A 21 10.300 -5.724 -5.097 1.00 0.00 C ATOM 287 C GLN A 21 9.937 -5.290 -3.680 1.00 0.00 C ATOM 288 O GLN A 21 10.088 -6.064 -2.738 1.00 0.00 O ATOM 289 CB GLN A 21 9.076 -6.354 -5.771 1.00 0.00 C ATOM 290 CG GLN A 21 8.842 -7.856 -5.587 1.00 0.00 C ATOM 291 CD GLN A 21 9.684 -8.670 -6.563 1.00 0.00 C ATOM 292 OE1 GLN A 21 9.454 -8.628 -7.769 1.00 0.00 O ATOM 293 NE2 GLN A 21 10.671 -9.399 -6.051 1.00 0.00 N ATOM 0 H GLN A 21 11.163 -7.558 -4.682 1.00 0.00 H new ATOM 0 HA GLN A 21 10.601 -4.858 -5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.191 -5.832 -5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.146 -6.157 -6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.088 -8.142 -4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.786 -8.083 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.829 -9.407 -5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.270 -9.950 -6.666 1.00 0.00 H new ATOM 302 N CYS A 22 9.415 -4.064 -3.561 1.00 0.00 N ATOM 303 CA CYS A 22 8.815 -3.516 -2.358 1.00 0.00 C ATOM 304 C CYS A 22 7.320 -3.323 -2.584 1.00 0.00 C ATOM 305 O CYS A 22 6.876 -3.059 -3.704 1.00 0.00 O ATOM 306 CB CYS A 22 9.466 -2.183 -2.001 1.00 0.00 C ATOM 307 SG CYS A 22 11.208 -2.268 -1.519 1.00 0.00 S ATOM 0 H CYS A 22 9.403 -3.405 -4.339 1.00 0.00 H new ATOM 0 HA CYS A 22 8.972 -4.209 -1.531 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.377 -1.515 -2.857 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.903 -1.731 -1.184 1.00 0.00 H new ATOM 312 N GLN A 23 6.556 -3.465 -1.498 1.00 0.00 N ATOM 313 CA GLN A 23 5.109 -3.386 -1.493 1.00 0.00 C ATOM 314 C GLN A 23 4.637 -3.003 -0.091 1.00 0.00 C ATOM 315 O GLN A 23 5.436 -3.021 0.842 1.00 0.00 O ATOM 316 CB GLN A 23 4.540 -4.739 -1.929 1.00 0.00 C ATOM 317 CG GLN A 23 5.113 -5.925 -1.135 1.00 0.00 C ATOM 318 CD GLN A 23 4.496 -7.256 -1.558 1.00 0.00 C ATOM 319 OE1 GLN A 23 3.429 -7.297 -2.168 1.00 0.00 O ATOM 320 NE2 GLN A 23 5.175 -8.357 -1.233 1.00 0.00 N ATOM 0 H GLN A 23 6.948 -3.643 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 23 4.757 -2.625 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.456 -4.724 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.746 -4.887 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.193 -5.966 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.936 -5.767 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.057 -8.281 -0.726 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.812 -9.275 -1.491 1.00 0.00 H new ATOM 329 N CYS A 24 3.347 -2.675 0.061 1.00 0.00 N ATOM 330 CA CYS A 24 2.770 -2.279 1.342 1.00 0.00 C ATOM 331 C CYS A 24 1.889 -3.383 1.905 1.00 0.00 C ATOM 332 O CYS A 24 1.168 -4.059 1.172 1.00 0.00 O ATOM 333 CB CYS A 24 1.986 -0.975 1.220 1.00 0.00 C ATOM 334 SG CYS A 24 3.038 0.465 0.898 1.00 0.00 S ATOM 0 H CYS A 24 2.676 -2.679 -0.707 1.00 0.00 H new ATOM 0 HA CYS A 24 3.594 -2.110 2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.257 -1.071 0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.425 -0.809 2.140 1.00 0.00 H new ATOM 339 N THR A 25 1.970 -3.538 3.229 1.00 0.00 N ATOM 340 CA THR A 25 1.232 -4.526 3.999 1.00 0.00 C ATOM 341 C THR A 25 0.138 -3.854 4.833 1.00 0.00 C ATOM 342 O THR A 25 -0.861 -4.498 5.151 1.00 0.00 O ATOM 343 CB THR A 25 2.206 -5.352 4.849 1.00 0.00 C ATOM 344 OG1 THR A 25 1.521 -6.406 5.493 1.00 0.00 O ATOM 345 CG2 THR A 25 2.900 -4.493 5.903 1.00 0.00 C ATOM 0 H THR A 25 2.574 -2.956 3.809 1.00 0.00 H new ATOM 0 HA THR A 25 0.724 -5.214 3.324 1.00 0.00 H new ATOM 0 HB THR A 25 2.962 -5.755 4.176 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.153 -6.927 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.582 -5.112 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.461 -3.698 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.153 -4.055 6.565 1.00 0.00 H new ATOM 353 N ASP A 26 0.315 -2.570 5.189 1.00 0.00 N ATOM 354 CA ASP A 26 -0.637 -1.851 6.026 1.00 0.00 C ATOM 355 C ASP A 26 -2.020 -1.826 5.390 1.00 0.00 C ATOM 356 O ASP A 26 -2.168 -1.696 4.176 1.00 0.00 O ATOM 357 CB ASP A 26 -0.183 -0.419 6.309 1.00 0.00 C ATOM 358 CG ASP A 26 -1.181 0.341 7.181 1.00 0.00 C ATOM 359 OD1 ASP A 26 -1.745 1.336 6.732 1.00 0.00 O ATOM 360 OD2 ASP A 26 -1.389 -0.163 8.431 1.00 0.00 O ATOM 0 H ASP A 26 1.119 -2.012 4.902 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.686 -2.390 6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.788 -0.439 6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.050 0.111 5.366 1.00 0.00 H new ATOM 366 N VAL A 27 -3.013 -1.947 6.266 1.00 0.00 N ATOM 367 CA VAL A 27 -4.417 -2.108 5.940 1.00 0.00 C ATOM 368 C VAL A 27 -5.145 -0.845 6.407 1.00 0.00 C ATOM 369 O VAL A 27 -4.893 -0.357 7.510 1.00 0.00 O ATOM 370 CB VAL A 27 -4.964 -3.383 6.610 1.00 0.00 C ATOM 371 CG1 VAL A 27 -6.332 -3.745 6.028 1.00 0.00 C ATOM 372 CG2 VAL A 27 -4.037 -4.589 6.414 1.00 0.00 C ATOM 0 H VAL A 27 -2.846 -1.934 7.272 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.570 -2.229 4.868 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.038 -3.162 7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.706 -4.648 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.030 -2.926 6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.237 -3.920 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.467 -5.462 6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.923 -4.791 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.061 -4.372 6.849 1.00 0.00 H new ATOM 382 N ARG A 28 -6.013 -0.295 5.550 1.00 0.00 N ATOM 383 CA ARG A 28 -6.706 0.965 5.786 1.00 0.00 C ATOM 384 C ARG A 28 -7.929 1.024 4.860 1.00 0.00 C ATOM 385 O ARG A 28 -8.484 -0.014 4.504 1.00 0.00 O ATOM 386 CB ARG A 28 -5.713 2.130 5.581 1.00 0.00 C ATOM 387 CG ARG A 28 -6.019 3.348 6.467 1.00 0.00 C ATOM 388 CD ARG A 28 -5.550 3.157 7.915 1.00 0.00 C ATOM 389 NE ARG A 28 -4.085 3.103 8.011 1.00 0.00 N ATOM 390 CZ ARG A 28 -3.403 3.030 9.167 1.00 0.00 C ATOM 391 NH1 ARG A 28 -4.049 2.903 10.334 1.00 0.00 N ATOM 392 NH2 ARG A 28 -2.067 3.086 9.150 1.00 0.00 N ATOM 0 H ARG A 28 -6.254 -0.726 4.658 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.073 1.047 6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.703 1.779 5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.732 2.436 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.536 4.230 6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.092 3.538 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.925 3.976 8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.975 2.237 8.316 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.550 3.122 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.068 2.861 10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.522 2.848 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.572 3.184 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.543 3.031 10.023 1.00 0.00 H new ATOM 406 N GLU A 29 -8.343 2.230 4.455 1.00 0.00 N ATOM 407 CA GLU A 29 -9.400 2.433 3.478 1.00 0.00 C ATOM 408 C GLU A 29 -8.821 2.233 2.068 1.00 0.00 C ATOM 409 O GLU A 29 -7.870 1.471 1.891 1.00 0.00 O ATOM 410 CB GLU A 29 -10.006 3.831 3.687 1.00 0.00 C ATOM 411 CG GLU A 29 -11.493 3.844 3.315 1.00 0.00 C ATOM 412 CD GLU A 29 -11.997 5.266 3.097 1.00 0.00 C ATOM 413 OE1 GLU A 29 -12.258 5.643 1.956 1.00 0.00 O ATOM 414 OE2 GLU A 29 -12.120 6.033 4.216 1.00 0.00 O ATOM 0 H GLU A 29 -7.943 3.100 4.806 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.205 1.708 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.885 4.132 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.469 4.559 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.649 3.258 2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.072 3.368 4.106 1.00 0.00 H new ATOM 422 N LYS A 30 -9.380 2.919 1.061 1.00 0.00 N ATOM 423 CA LYS A 30 -8.964 2.779 -0.324 1.00 0.00 C ATOM 424 C LYS A 30 -7.492 3.154 -0.492 1.00 0.00 C ATOM 425 O LYS A 30 -6.913 3.868 0.327 1.00 0.00 O ATOM 426 CB LYS A 30 -9.835 3.648 -1.236 1.00 0.00 C ATOM 427 CG LYS A 30 -11.337 3.378 -1.067 1.00 0.00 C ATOM 428 CD LYS A 30 -12.174 4.089 -2.139 1.00 0.00 C ATOM 429 CE LYS A 30 -12.090 5.617 -2.026 1.00 0.00 C ATOM 430 NZ LYS A 30 -13.005 6.279 -2.974 1.00 0.00 N ATOM 0 H LYS A 30 -10.138 3.589 1.195 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.088 1.734 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.635 4.699 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.554 3.470 -2.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.520 2.305 -1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.656 3.710 -0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.832 3.781 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.215 3.777 -2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.335 5.922 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.067 5.942 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.924 7.311 -2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.755 6.006 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.983 5.987 -2.774 1.00 0.00 H new ATOM 444 N CYS A 31 -6.892 2.649 -1.569 1.00 0.00 N ATOM 445 CA CYS A 31 -5.464 2.719 -1.799 1.00 0.00 C ATOM 446 C CYS A 31 -5.061 4.087 -2.350 1.00 0.00 C ATOM 447 O CYS A 31 -5.905 4.851 -2.818 1.00 0.00 O ATOM 448 CB CYS A 31 -5.061 1.590 -2.743 1.00 0.00 C ATOM 449 SG CYS A 31 -5.483 -0.078 -2.163 1.00 0.00 S ATOM 0 H CYS A 31 -7.400 2.173 -2.314 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.936 2.596 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.539 1.755 -3.708 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.985 1.640 -2.908 1.00 0.00 H new ATOM 454 N HIS A 32 -3.762 4.398 -2.275 1.00 0.00 N ATOM 455 CA HIS A 32 -3.232 5.697 -2.650 1.00 0.00 C ATOM 456 C HIS A 32 -3.063 5.838 -4.161 1.00 0.00 C ATOM 457 O HIS A 32 -3.230 4.884 -4.918 1.00 0.00 O ATOM 458 CB HIS A 32 -1.945 6.020 -1.885 1.00 0.00 C ATOM 459 CG HIS A 32 -0.816 5.028 -1.992 1.00 0.00 C ATOM 460 ND1 HIS A 32 0.217 5.133 -2.908 1.00 0.00 N ATOM 461 CD2 HIS A 32 -0.576 3.925 -1.218 1.00 0.00 C ATOM 462 CE1 HIS A 32 1.049 4.109 -2.659 1.00 0.00 C ATOM 463 NE2 HIS A 32 0.610 3.357 -1.637 1.00 0.00 N ATOM 0 H HIS A 32 -3.050 3.744 -1.949 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.971 6.443 -2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.580 6.987 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.197 6.133 -0.831 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.205 3.562 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.957 3.915 -3.211 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.063 2.530 -1.248 1.00 0.00 H new ATOM 472 N SER A 33 -2.725 7.064 -4.573 1.00 0.00 N ATOM 473 CA SER A 33 -2.584 7.481 -5.965 1.00 0.00 C ATOM 474 C SER A 33 -1.603 6.607 -6.756 1.00 0.00 C ATOM 475 O SER A 33 -1.761 6.445 -7.964 1.00 0.00 O ATOM 476 CB SER A 33 -2.176 8.954 -6.008 1.00 0.00 C ATOM 477 OG SER A 33 -2.151 9.430 -7.337 1.00 0.00 O ATOM 0 H SER A 33 -2.535 7.821 -3.916 1.00 0.00 H new ATOM 0 HA SER A 33 -3.550 7.352 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.875 9.547 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.192 9.077 -5.555 1.00 0.00 H new ATOM 0 HG SER A 33 -1.889 10.374 -7.341 1.00 0.00 H new ATOM 483 N ALA A 34 -0.608 6.036 -6.066 1.00 0.00 N ATOM 484 CA ALA A 34 0.421 5.188 -6.653 1.00 0.00 C ATOM 485 C ALA A 34 0.195 3.730 -6.251 1.00 0.00 C ATOM 486 O ALA A 34 1.127 3.042 -5.836 1.00 0.00 O ATOM 487 CB ALA A 34 1.802 5.701 -6.238 1.00 0.00 C ATOM 0 H ALA A 34 -0.499 6.158 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 34 0.365 5.230 -7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.573 5.067 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.931 6.725 -6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.888 5.677 -5.152 1.00 0.00 H new ATOM 493 N CYS A 35 -1.049 3.267 -6.409 1.00 0.00 N ATOM 494 CA CYS A 35 -1.414 1.859 -6.397 1.00 0.00 C ATOM 495 C CYS A 35 -2.244 1.581 -7.647 1.00 0.00 C ATOM 496 O CYS A 35 -3.159 2.339 -7.964 1.00 0.00 O ATOM 497 CB CYS A 35 -2.183 1.495 -5.120 1.00 0.00 C ATOM 498 SG CYS A 35 -1.183 1.583 -3.613 1.00 0.00 S ATOM 0 H CYS A 35 -1.848 3.885 -6.552 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.517 1.239 -6.402 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.037 2.165 -5.018 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.581 0.485 -5.222 1.00 0.00 H new ATOM 503 N LYS A 36 -1.918 0.488 -8.347 1.00 0.00 N ATOM 504 CA LYS A 36 -2.543 0.074 -9.590 1.00 0.00 C ATOM 505 C LYS A 36 -3.489 -1.088 -9.305 1.00 0.00 C ATOM 506 O LYS A 36 -4.611 -1.112 -9.806 1.00 0.00 O ATOM 507 CB LYS A 36 -1.452 -0.374 -10.568 1.00 0.00 C ATOM 508 CG LYS A 36 -0.550 0.791 -10.998 1.00 0.00 C ATOM 509 CD LYS A 36 0.544 0.355 -11.983 1.00 0.00 C ATOM 510 CE LYS A 36 -0.031 -0.128 -13.321 1.00 0.00 C ATOM 511 NZ LYS A 36 1.033 -0.370 -14.312 1.00 0.00 N ATOM 0 H LYS A 36 -1.183 -0.151 -8.044 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.105 0.901 -10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.844 -1.150 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.915 -0.818 -11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.160 1.568 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.086 1.231 -10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.221 1.190 -12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.135 -0.444 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.599 -1.045 -13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.728 0.616 -13.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.609 -0.695 -15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.558 0.512 -14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.683 -1.098 -13.952 1.00 0.00 H new ATOM 525 N SER A 37 -3.034 -2.019 -8.462 1.00 0.00 N ATOM 526 CA SER A 37 -3.837 -3.103 -7.921 1.00 0.00 C ATOM 527 C SER A 37 -4.138 -2.781 -6.460 1.00 0.00 C ATOM 528 O SER A 37 -3.237 -2.443 -5.692 1.00 0.00 O ATOM 529 CB SER A 37 -3.086 -4.431 -8.053 1.00 0.00 C ATOM 530 OG SER A 37 -3.935 -5.508 -7.715 1.00 0.00 O ATOM 0 H SER A 37 -2.069 -2.034 -8.132 1.00 0.00 H new ATOM 0 HA SER A 37 -4.772 -3.202 -8.473 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.723 -4.552 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.212 -4.429 -7.402 1.00 0.00 H new ATOM 0 HG SER A 37 -3.445 -6.352 -7.805 1.00 0.00 H new ATOM 536 N CYS A 38 -5.420 -2.878 -6.100 1.00 0.00 N ATOM 537 CA CYS A 38 -5.952 -2.603 -4.777 1.00 0.00 C ATOM 538 C CYS A 38 -6.987 -3.682 -4.479 1.00 0.00 C ATOM 539 O CYS A 38 -7.800 -4.006 -5.343 1.00 0.00 O ATOM 540 CB CYS A 38 -6.576 -1.204 -4.765 1.00 0.00 C ATOM 541 SG CYS A 38 -7.190 -0.611 -3.165 1.00 0.00 S ATOM 0 H CYS A 38 -6.144 -3.164 -6.759 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.175 -2.620 -4.013 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.833 -0.495 -5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.403 -1.192 -5.474 1.00 0.00 H new ATOM 546 N LEU A 39 -6.914 -4.269 -3.283 1.00 0.00 N ATOM 547 CA LEU A 39 -7.687 -5.444 -2.898 1.00 0.00 C ATOM 548 C LEU A 39 -8.196 -5.260 -1.473 1.00 0.00 C ATOM 549 O LEU A 39 -7.536 -4.621 -0.659 1.00 0.00 O ATOM 550 CB LEU A 39 -6.796 -6.695 -3.001 1.00 0.00 C ATOM 551 CG LEU A 39 -7.379 -7.858 -3.819 1.00 0.00 C ATOM 552 CD1 LEU A 39 -8.699 -8.383 -3.240 1.00 0.00 C ATOM 553 CD2 LEU A 39 -7.544 -7.501 -5.300 1.00 0.00 C ATOM 0 H LEU A 39 -6.301 -3.931 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.541 -5.569 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.843 -6.405 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.585 -7.053 -1.993 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.647 -8.663 -3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.066 -9.203 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.534 -8.739 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.436 -7.580 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.959 -8.355 -5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.218 -6.650 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.573 -7.245 -5.723 1.00 0.00 H new ATOM 565 N CYS A 40 -9.369 -5.826 -1.176 1.00 0.00 N ATOM 566 CA CYS A 40 -10.010 -5.720 0.125 1.00 0.00 C ATOM 567 C CYS A 40 -10.563 -7.073 0.554 1.00 0.00 C ATOM 568 O CYS A 40 -10.801 -7.941 -0.286 1.00 0.00 O ATOM 569 CB CYS A 40 -11.141 -4.685 0.072 1.00 0.00 C ATOM 570 SG CYS A 40 -10.789 -3.117 -0.777 1.00 0.00 S ATOM 0 H CYS A 40 -9.903 -6.378 -1.847 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.267 -5.397 0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -12.000 -5.147 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -11.438 -4.456 1.095 1.00 0.00 H new ATOM 575 N THR A 41 -10.777 -7.235 1.865 1.00 0.00 N ATOM 576 CA THR A 41 -11.394 -8.438 2.408 1.00 0.00 C ATOM 577 C THR A 41 -12.917 -8.295 2.406 1.00 0.00 C ATOM 578 O THR A 41 -13.448 -7.185 2.445 1.00 0.00 O ATOM 579 CB THR A 41 -10.845 -8.783 3.802 1.00 0.00 C ATOM 580 OG1 THR A 41 -11.407 -10.012 4.212 1.00 0.00 O ATOM 581 CG2 THR A 41 -11.147 -7.719 4.861 1.00 0.00 C ATOM 0 H THR A 41 -10.528 -6.540 2.569 1.00 0.00 H new ATOM 0 HA THR A 41 -11.134 -9.278 1.764 1.00 0.00 H new ATOM 0 HB THR A 41 -9.760 -8.839 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.767 -9.921 5.119 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.730 -8.030 5.819 1.00 0.00 H new ATOM 0 HG22 THR A 41 -10.701 -6.771 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.226 -7.598 4.958 1.00 0.00 H new ATOM 589 N ARG A 42 -13.607 -9.440 2.380 1.00 0.00 N ATOM 590 CA ARG A 42 -15.053 -9.541 2.478 1.00 0.00 C ATOM 591 C ARG A 42 -15.511 -9.678 3.934 1.00 0.00 C ATOM 592 O ARG A 42 -16.690 -9.926 4.183 1.00 0.00 O ATOM 593 CB ARG A 42 -15.517 -10.737 1.641 1.00 0.00 C ATOM 594 CG ARG A 42 -15.064 -10.585 0.188 1.00 0.00 C ATOM 595 CD ARG A 42 -15.731 -11.638 -0.700 1.00 0.00 C ATOM 596 NE ARG A 42 -15.361 -11.449 -2.109 1.00 0.00 N ATOM 597 CZ ARG A 42 -15.841 -12.176 -3.132 1.00 0.00 C ATOM 598 NH1 ARG A 42 -16.715 -13.169 -2.915 1.00 0.00 N ATOM 599 NH2 ARG A 42 -15.441 -11.904 -4.381 1.00 0.00 N ATOM 0 H ARG A 42 -13.152 -10.348 2.287 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.503 -8.626 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.113 -11.659 2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.603 -10.817 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.313 -9.587 -0.173 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.980 -10.685 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.435 -12.635 -0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.814 -11.576 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.691 -10.712 -2.327 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.022 -13.379 -1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.073 -13.714 -3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.776 -11.149 -4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.801 -12.452 -5.163 1.00 0.00 H new ATOM 613 N SER A 43 -14.593 -9.505 4.893 1.00 0.00 N ATOM 614 CA SER A 43 -14.888 -9.494 6.312 1.00 0.00 C ATOM 615 C SER A 43 -15.764 -8.291 6.680 1.00 0.00 C ATOM 616 O SER A 43 -16.066 -7.450 5.834 1.00 0.00 O ATOM 617 CB SER A 43 -13.573 -9.456 7.096 1.00 0.00 C ATOM 618 OG SER A 43 -12.680 -10.451 6.642 1.00 0.00 O ATOM 0 H SER A 43 -13.604 -9.366 4.688 1.00 0.00 H new ATOM 0 HA SER A 43 -15.441 -10.398 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.112 -8.474 6.991 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.775 -9.601 8.157 1.00 0.00 H new ATOM 0 HG SER A 43 -11.848 -10.404 7.158 1.00 0.00 H new ATOM 624 N PHE A 44 -16.151 -8.206 7.957 1.00 0.00 N ATOM 625 CA PHE A 44 -16.886 -7.081 8.512 1.00 0.00 C ATOM 626 C PHE A 44 -16.078 -6.516 9.686 1.00 0.00 C ATOM 627 O PHE A 44 -15.929 -7.213 10.689 1.00 0.00 O ATOM 628 CB PHE A 44 -18.278 -7.535 8.961 1.00 0.00 C ATOM 629 CG PHE A 44 -19.155 -6.387 9.421 1.00 0.00 C ATOM 630 CD1 PHE A 44 -19.866 -5.624 8.474 1.00 0.00 C ATOM 631 CD2 PHE A 44 -19.247 -6.064 10.788 1.00 0.00 C ATOM 632 CE1 PHE A 44 -20.659 -4.542 8.891 1.00 0.00 C ATOM 633 CE2 PHE A 44 -20.040 -4.980 11.204 1.00 0.00 C ATOM 634 CZ PHE A 44 -20.745 -4.218 10.257 1.00 0.00 C ATOM 0 H PHE A 44 -15.955 -8.936 8.642 1.00 0.00 H new ATOM 0 HA PHE A 44 -17.023 -6.303 7.761 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -18.769 -8.053 8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -18.175 -8.255 9.773 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -19.801 -5.872 7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -18.708 -6.649 11.518 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -21.203 -3.959 8.163 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -20.107 -4.733 12.253 1.00 0.00 H new ATOM 0 HZ PHE A 44 -21.352 -3.384 10.578 1.00 0.00 H new ATOM 644 N PRO A 45 -15.543 -5.285 9.598 1.00 0.00 N ATOM 645 CA PRO A 45 -15.648 -4.357 8.479 1.00 0.00 C ATOM 646 C PRO A 45 -14.791 -4.823 7.290 1.00 0.00 C ATOM 647 O PRO A 45 -13.733 -5.418 7.501 1.00 0.00 O ATOM 648 CB PRO A 45 -15.137 -3.020 9.026 1.00 0.00 C ATOM 649 CG PRO A 45 -14.128 -3.442 10.093 1.00 0.00 C ATOM 650 CD PRO A 45 -14.779 -4.691 10.682 1.00 0.00 C ATOM 0 HA PRO A 45 -16.670 -4.286 8.106 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.670 -2.418 8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.945 -2.423 9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -13.149 -3.657 9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.983 -2.666 10.845 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.027 -5.385 11.057 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.425 -4.437 11.522 1.00 0.00 H new ATOM 658 N PRO A 46 -15.216 -4.554 6.042 1.00 0.00 N ATOM 659 CA PRO A 46 -14.444 -4.861 4.847 1.00 0.00 C ATOM 660 C PRO A 46 -13.320 -3.830 4.708 1.00 0.00 C ATOM 661 O PRO A 46 -13.577 -2.678 4.364 1.00 0.00 O ATOM 662 CB PRO A 46 -15.446 -4.789 3.691 1.00 0.00 C ATOM 663 CG PRO A 46 -16.475 -3.764 4.171 1.00 0.00 C ATOM 664 CD PRO A 46 -16.500 -3.966 5.687 1.00 0.00 C ATOM 0 HA PRO A 46 -13.969 -5.842 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.967 -4.473 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.906 -5.758 3.498 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.183 -2.748 3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.454 -3.940 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.649 -3.018 6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.321 -4.621 5.979 1.00 0.00 H new ATOM 672 N GLN A 47 -12.081 -4.244 4.998 1.00 0.00 N ATOM 673 CA GLN A 47 -10.919 -3.364 5.059 1.00 0.00 C ATOM 674 C GLN A 47 -10.016 -3.624 3.849 1.00 0.00 C ATOM 675 O GLN A 47 -9.976 -4.743 3.337 1.00 0.00 O ATOM 676 CB GLN A 47 -10.194 -3.590 6.396 1.00 0.00 C ATOM 677 CG GLN A 47 -9.581 -2.297 6.953 1.00 0.00 C ATOM 678 CD GLN A 47 -10.632 -1.262 7.354 1.00 0.00 C ATOM 679 OE1 GLN A 47 -10.669 -0.165 6.802 1.00 0.00 O ATOM 680 NE2 GLN A 47 -11.487 -1.606 8.318 1.00 0.00 N ATOM 0 H GLN A 47 -11.859 -5.219 5.200 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.220 -2.317 5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.896 -3.999 7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.408 -4.333 6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.966 -2.537 7.820 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.919 -1.863 6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.423 -2.527 8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.205 -0.948 8.622 1.00 0.00 H new ATOM 689 N CYS A 48 -9.330 -2.579 3.369 1.00 0.00 N ATOM 690 CA CYS A 48 -8.659 -2.561 2.077 1.00 0.00 C ATOM 691 C CYS A 48 -7.144 -2.403 2.219 1.00 0.00 C ATOM 692 O CYS A 48 -6.650 -1.963 3.256 1.00 0.00 O ATOM 693 CB CYS A 48 -9.259 -1.428 1.245 1.00 0.00 C ATOM 694 SG CYS A 48 -10.959 -1.678 0.673 1.00 0.00 S ATOM 0 H CYS A 48 -9.228 -1.705 3.886 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.816 -3.517 1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.226 -0.513 1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.624 -1.267 0.374 1.00 0.00 H new ATOM 699 N ARG A 49 -6.407 -2.789 1.168 1.00 0.00 N ATOM 700 CA ARG A 49 -4.951 -2.833 1.138 1.00 0.00 C ATOM 701 C ARG A 49 -4.461 -2.720 -0.306 1.00 0.00 C ATOM 702 O ARG A 49 -5.121 -3.170 -1.242 1.00 0.00 O ATOM 703 CB ARG A 49 -4.477 -4.155 1.740 1.00 0.00 C ATOM 704 CG ARG A 49 -2.994 -4.147 2.136 1.00 0.00 C ATOM 705 CD ARG A 49 -2.379 -5.537 2.015 1.00 0.00 C ATOM 706 NE ARG A 49 -2.186 -5.908 0.605 1.00 0.00 N ATOM 707 CZ ARG A 49 -2.891 -6.811 -0.096 1.00 0.00 C ATOM 708 NH1 ARG A 49 -3.935 -7.463 0.435 1.00 0.00 N ATOM 709 NH2 ARG A 49 -2.543 -7.061 -1.363 1.00 0.00 N ATOM 0 H ARG A 49 -6.829 -3.088 0.289 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.548 -2.002 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.079 -4.382 2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.649 -4.956 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.449 -3.450 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.891 -3.790 3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.421 -5.561 2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.025 -6.268 2.502 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.437 -5.428 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.215 -7.279 1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.450 -8.143 -0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.754 -6.569 -1.782 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.067 -7.744 -1.911 1.00 0.00 H new ATOM 723 N CYS A 50 -3.277 -2.129 -0.471 1.00 0.00 N ATOM 724 CA CYS A 50 -2.599 -1.961 -1.752 1.00 0.00 C ATOM 725 C CYS A 50 -1.845 -3.241 -2.113 1.00 0.00 C ATOM 726 O CYS A 50 -1.210 -3.851 -1.253 1.00 0.00 O ATOM 727 CB CYS A 50 -1.676 -0.741 -1.665 1.00 0.00 C ATOM 728 SG CYS A 50 -0.694 -0.357 -3.141 1.00 0.00 S ATOM 0 H CYS A 50 -2.748 -1.742 0.311 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.320 -1.783 -2.550 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.285 0.130 -1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.991 -0.891 -0.830 1.00 0.00 H new ATOM 733 N TYR A 51 -1.945 -3.652 -3.385 1.00 0.00 N ATOM 734 CA TYR A 51 -1.336 -4.863 -3.928 1.00 0.00 C ATOM 735 C TYR A 51 -0.405 -4.529 -5.104 1.00 0.00 C ATOM 736 O TYR A 51 -0.071 -5.403 -5.900 1.00 0.00 O ATOM 737 CB TYR A 51 -2.467 -5.811 -4.362 1.00 0.00 C ATOM 738 CG TYR A 51 -2.179 -7.302 -4.471 1.00 0.00 C ATOM 739 CD1 TYR A 51 -0.899 -7.851 -4.239 1.00 0.00 C ATOM 740 CD2 TYR A 51 -3.248 -8.160 -4.790 1.00 0.00 C ATOM 741 CE1 TYR A 51 -0.706 -9.242 -4.296 1.00 0.00 C ATOM 742 CE2 TYR A 51 -3.057 -9.553 -4.832 1.00 0.00 C ATOM 743 CZ TYR A 51 -1.785 -10.095 -4.587 1.00 0.00 C ATOM 744 OH TYR A 51 -1.601 -11.446 -4.629 1.00 0.00 O ATOM 0 H TYR A 51 -2.472 -3.128 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.722 -5.347 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.290 -5.685 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.825 -5.473 -5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.066 -7.200 -4.017 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.222 -7.746 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.275 -9.657 -4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.889 -10.206 -5.053 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.451 -11.885 -4.843 1.00 0.00 H new ATOM 754 N ASP A 52 0.007 -3.262 -5.224 1.00 0.00 N ATOM 755 CA ASP A 52 0.897 -2.792 -6.272 1.00 0.00 C ATOM 756 C ASP A 52 2.343 -3.154 -5.935 1.00 0.00 C ATOM 757 O ASP A 52 2.713 -3.215 -4.763 1.00 0.00 O ATOM 758 CB ASP A 52 0.732 -1.276 -6.414 1.00 0.00 C ATOM 759 CG ASP A 52 1.525 -0.708 -7.590 1.00 0.00 C ATOM 760 OD1 ASP A 52 1.438 -1.243 -8.693 1.00 0.00 O ATOM 761 OD2 ASP A 52 2.291 0.386 -7.319 1.00 0.00 O ATOM 0 H ASP A 52 -0.279 -2.526 -4.578 1.00 0.00 H new ATOM 0 HA ASP A 52 0.645 -3.271 -7.218 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.324 -1.039 -6.544 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.056 -0.791 -5.493 1.00 0.00 H new ATOM 767 N ILE A 53 3.150 -3.386 -6.976 1.00 0.00 N ATOM 768 CA ILE A 53 4.555 -3.747 -6.870 1.00 0.00 C ATOM 769 C ILE A 53 5.403 -2.561 -7.327 1.00 0.00 C ATOM 770 O ILE A 53 5.125 -1.962 -8.366 1.00 0.00 O ATOM 771 CB ILE A 53 4.835 -5.002 -7.718 1.00 0.00 C ATOM 772 CG1 ILE A 53 3.956 -6.201 -7.306 1.00 0.00 C ATOM 773 CG2 ILE A 53 6.321 -5.374 -7.640 1.00 0.00 C ATOM 774 CD1 ILE A 53 4.095 -6.627 -5.839 1.00 0.00 C ATOM 0 H ILE A 53 2.827 -3.324 -7.942 1.00 0.00 H new ATOM 0 HA ILE A 53 4.812 -3.982 -5.837 1.00 0.00 H new ATOM 0 HB ILE A 53 4.577 -4.759 -8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.913 -5.952 -7.500 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.205 -7.051 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.506 -6.263 -8.244 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.923 -4.547 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.591 -5.577 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.440 -7.476 -5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.128 -6.912 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.816 -5.796 -5.191 1.00 0.00 H new ATOM 786 N THR A 54 6.438 -2.235 -6.544 1.00 0.00 N ATOM 787 CA THR A 54 7.422 -1.204 -6.844 1.00 0.00 C ATOM 788 C THR A 54 8.804 -1.731 -6.448 1.00 0.00 C ATOM 789 O THR A 54 8.946 -2.910 -6.132 1.00 0.00 O ATOM 790 CB THR A 54 7.072 0.087 -6.083 1.00 0.00 C ATOM 791 OG1 THR A 54 7.056 -0.157 -4.692 1.00 0.00 O ATOM 792 CG2 THR A 54 5.722 0.665 -6.520 1.00 0.00 C ATOM 0 H THR A 54 6.614 -2.702 -5.654 1.00 0.00 H new ATOM 0 HA THR A 54 7.423 -0.968 -7.908 1.00 0.00 H new ATOM 0 HB THR A 54 7.842 0.821 -6.320 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.645 0.483 -4.241 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.516 1.575 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.753 0.896 -7.585 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.935 -0.065 -6.330 1.00 0.00 H new ATOM 800 N ASP A 55 9.817 -0.858 -6.451 1.00 0.00 N ATOM 801 CA ASP A 55 11.156 -1.129 -5.947 1.00 0.00 C ATOM 802 C ASP A 55 11.508 -0.209 -4.770 1.00 0.00 C ATOM 803 O ASP A 55 12.644 -0.218 -4.301 1.00 0.00 O ATOM 804 CB ASP A 55 12.138 -0.923 -7.100 1.00 0.00 C ATOM 805 CG ASP A 55 12.062 -2.065 -8.110 1.00 0.00 C ATOM 806 OD1 ASP A 55 11.181 -2.055 -8.968 1.00 0.00 O ATOM 807 OD2 ASP A 55 13.005 -3.041 -7.979 1.00 0.00 O ATOM 0 H ASP A 55 9.717 0.088 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 55 11.209 -2.153 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.921 0.021 -7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.152 -0.850 -6.707 1.00 0.00 H new ATOM 813 N PHE A 56 10.546 0.595 -4.305 1.00 0.00 N ATOM 814 CA PHE A 56 10.738 1.655 -3.329 1.00 0.00 C ATOM 815 C PHE A 56 9.544 1.727 -2.380 1.00 0.00 C ATOM 816 O PHE A 56 8.599 0.946 -2.478 1.00 0.00 O ATOM 817 CB PHE A 56 10.928 2.980 -4.082 1.00 0.00 C ATOM 818 CG PHE A 56 9.914 3.227 -5.187 1.00 0.00 C ATOM 819 CD1 PHE A 56 8.625 3.701 -4.875 1.00 0.00 C ATOM 820 CD2 PHE A 56 10.255 2.961 -6.527 1.00 0.00 C ATOM 821 CE1 PHE A 56 7.681 3.898 -5.897 1.00 0.00 C ATOM 822 CE2 PHE A 56 9.313 3.171 -7.549 1.00 0.00 C ATOM 823 CZ PHE A 56 8.027 3.642 -7.235 1.00 0.00 C ATOM 0 H PHE A 56 9.577 0.516 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 56 11.622 1.453 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.875 3.801 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.929 2.998 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.362 3.913 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.242 2.595 -6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.688 4.247 -5.654 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.578 2.970 -8.577 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.305 3.807 -8.021 1.00 0.00 H new ATOM 833 N CYS A 57 9.599 2.698 -1.466 1.00 0.00 N ATOM 834 CA CYS A 57 8.525 3.024 -0.546 1.00 0.00 C ATOM 835 C CYS A 57 8.434 4.539 -0.397 1.00 0.00 C ATOM 836 O CYS A 57 9.444 5.240 -0.435 1.00 0.00 O ATOM 837 CB CYS A 57 8.778 2.348 0.799 1.00 0.00 C ATOM 838 SG CYS A 57 7.583 2.755 2.099 1.00 0.00 S ATOM 0 H CYS A 57 10.419 3.292 -1.348 1.00 0.00 H new ATOM 0 HA CYS A 57 7.574 2.658 -0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.777 1.268 0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 57 9.775 2.622 1.144 1.00 0.00 H new ATOM 843 N TYR A 58 7.204 5.026 -0.230 1.00 0.00 N ATOM 844 CA TYR A 58 6.884 6.422 0.005 1.00 0.00 C ATOM 845 C TYR A 58 7.127 6.769 1.476 1.00 0.00 C ATOM 846 O TYR A 58 7.120 5.872 2.319 1.00 0.00 O ATOM 847 CB TYR A 58 5.416 6.634 -0.380 1.00 0.00 C ATOM 848 CG TYR A 58 5.181 6.577 -1.874 1.00 0.00 C ATOM 849 CD1 TYR A 58 5.435 7.714 -2.664 1.00 0.00 C ATOM 850 CD2 TYR A 58 4.745 5.385 -2.483 1.00 0.00 C ATOM 851 CE1 TYR A 58 5.320 7.641 -4.063 1.00 0.00 C ATOM 852 CE2 TYR A 58 4.628 5.313 -3.882 1.00 0.00 C ATOM 853 CZ TYR A 58 4.940 6.434 -4.673 1.00 0.00 C ATOM 854 OH TYR A 58 4.878 6.347 -6.032 1.00 0.00 O ATOM 0 H TYR A 58 6.376 4.431 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 58 7.518 7.075 -0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.805 5.874 0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.083 7.601 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.719 8.644 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.500 4.526 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.524 8.512 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.299 4.397 -4.350 1.00 0.00 H new ATOM 0 HH TYR A 58 4.838 5.405 -6.298 1.00 0.00 H new ATOM 864 N PRO A 59 7.336 8.053 1.814 1.00 0.00 N ATOM 865 CA PRO A 59 7.514 8.483 3.193 1.00 0.00 C ATOM 866 C PRO A 59 6.273 8.158 4.029 1.00 0.00 C ATOM 867 O PRO A 59 5.173 8.014 3.493 1.00 0.00 O ATOM 868 CB PRO A 59 7.799 9.987 3.131 1.00 0.00 C ATOM 869 CG PRO A 59 7.171 10.417 1.806 1.00 0.00 C ATOM 870 CD PRO A 59 7.392 9.195 0.916 1.00 0.00 C ATOM 0 HA PRO A 59 8.337 7.960 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.355 10.514 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.869 10.194 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.112 10.651 1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.653 11.306 1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.626 9.127 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.354 9.248 0.406 1.00 0.00 H new ATOM 878 N SER A 60 6.471 7.998 5.343 1.00 0.00 N ATOM 879 CA SER A 60 5.476 7.450 6.243 1.00 0.00 C ATOM 880 C SER A 60 4.186 8.265 6.253 1.00 0.00 C ATOM 881 O SER A 60 4.219 9.495 6.272 1.00 0.00 O ATOM 882 CB SER A 60 6.050 7.290 7.654 1.00 0.00 C ATOM 883 OG SER A 60 7.160 8.139 7.877 1.00 0.00 O ATOM 0 H SER A 60 7.343 8.252 5.807 1.00 0.00 H new ATOM 0 HA SER A 60 5.212 6.461 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.274 7.509 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.350 6.253 7.807 1.00 0.00 H new ATOM 0 HG SER A 60 7.495 8.007 8.789 1.00 0.00 H new ATOM 889 N CYS A 61 3.055 7.552 6.258 1.00 0.00 N ATOM 890 CA CYS A 61 1.731 8.150 6.347 1.00 0.00 C ATOM 891 C CYS A 61 1.341 8.345 7.815 1.00 0.00 C ATOM 892 O CYS A 61 2.112 8.025 8.720 1.00 0.00 O ATOM 893 CB CYS A 61 0.689 7.291 5.612 1.00 0.00 C ATOM 894 SG CYS A 61 -0.534 8.275 4.699 1.00 0.00 S ATOM 0 H CYS A 61 3.039 6.534 6.200 1.00 0.00 H new ATOM 0 HA CYS A 61 1.757 9.125 5.861 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.201 6.625 4.918 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.172 6.661 6.335 1.00 0.00 H new