USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 488 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 51 MET CE :methyl -167:sc= -0.0194 (180deg=-0.247) USER MOD Set 1.2: A 71 HIS : no HE2:sc= 0.0838 K(o=0.064,f=-0.65) USER MOD Single : A 8 SER OG : rot 34:sc= 0.129 USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.164 (180deg=-0.606) USER MOD Single : A 24 ASN : amide:sc= -0.0711 K(o=-0.071,f=-2.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.162 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.189 F(o=-2.1!,f=-0.19) USER MOD Single : A 36 MET CE :methyl 159:sc= 0 (180deg=-0.173) USER MOD Single : A 37 THR OG1 : rot 83:sc= 0.799 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -73:sc= 0.844 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.3) USER MOD Single : A 65 TYR OH : rot -23:sc= -0.0284 USER MOD Single : A 70 GLN : amide:sc= -0.0794 X(o=-0.079,f=-0.3) USER MOD Single : A 72 MET CE :methyl -179:sc= 0 (180deg=-0.00171) USER MOD Single : A 73 THR OG1 : rot -78:sc= 0.653 USER MOD ----------------------------------------------------------------- ATOM 110 N SER A 8 0.073 16.926 2.128 1.00 0.00 N ATOM 111 CA SER A 8 -0.564 17.202 0.847 1.00 0.00 C ATOM 112 C SER A 8 -0.565 15.968 -0.055 1.00 0.00 C ATOM 113 O SER A 8 0.198 15.032 0.176 1.00 0.00 O ATOM 114 CB SER A 8 0.150 18.363 0.161 1.00 0.00 C ATOM 115 OG SER A 8 0.168 19.510 0.995 1.00 0.00 O ATOM 0 HA SER A 8 -1.604 17.473 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.171 18.072 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.350 18.599 -0.778 1.00 0.00 H new ATOM 0 HG SER A 8 0.238 19.232 1.932 1.00 0.00 H new ATOM 121 N GLU A 9 -1.410 16.001 -1.101 1.00 0.00 N ATOM 122 CA GLU A 9 -1.558 14.885 -2.063 1.00 0.00 C ATOM 123 C GLU A 9 -0.252 14.648 -2.840 1.00 0.00 C ATOM 124 O GLU A 9 0.085 13.519 -3.195 1.00 0.00 O ATOM 125 CB GLU A 9 -2.668 15.184 -3.082 1.00 0.00 C ATOM 126 CG GLU A 9 -3.922 15.843 -2.514 1.00 0.00 C ATOM 127 CD GLU A 9 -4.708 14.964 -1.563 1.00 0.00 C ATOM 128 OE1 GLU A 9 -5.584 14.217 -2.036 1.00 0.00 O ATOM 129 OE2 GLU A 9 -4.484 15.053 -0.340 1.00 0.00 O ATOM 0 H GLU A 9 -2.011 16.799 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.811 13.997 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.259 15.830 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.956 14.250 -3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.635 16.757 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.570 16.137 -3.340 1.00 0.00 H new ATOM 136 N GLU A 10 0.477 15.745 -3.072 1.00 0.00 N ATOM 137 CA GLU A 10 1.747 15.742 -3.799 1.00 0.00 C ATOM 138 C GLU A 10 2.883 15.110 -2.968 1.00 0.00 C ATOM 139 O GLU A 10 3.862 14.608 -3.519 1.00 0.00 O ATOM 140 CB GLU A 10 2.082 17.186 -4.201 1.00 0.00 C ATOM 141 CG GLU A 10 3.319 17.336 -5.071 1.00 0.00 C ATOM 142 CD GLU A 10 3.509 18.736 -5.599 1.00 0.00 C ATOM 143 OE1 GLU A 10 3.999 19.599 -4.849 1.00 0.00 O ATOM 144 OE2 GLU A 10 3.174 18.975 -6.776 1.00 0.00 O ATOM 0 H GLU A 10 0.195 16.673 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 10 1.647 15.127 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.229 17.607 -4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.218 17.778 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.198 17.050 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.251 16.644 -5.911 1.00 0.00 H new ATOM 151 N GLU A 11 2.728 15.102 -1.649 1.00 0.00 N ATOM 152 CA GLU A 11 3.709 14.491 -0.753 1.00 0.00 C ATOM 153 C GLU A 11 3.451 12.981 -0.615 1.00 0.00 C ATOM 154 O GLU A 11 4.376 12.206 -0.352 1.00 0.00 O ATOM 155 CB GLU A 11 3.661 15.203 0.602 1.00 0.00 C ATOM 156 CG GLU A 11 4.761 14.805 1.571 1.00 0.00 C ATOM 157 CD GLU A 11 4.893 15.793 2.703 1.00 0.00 C ATOM 158 OE1 GLU A 11 3.890 16.051 3.381 1.00 0.00 O ATOM 159 OE2 GLU A 11 5.996 16.344 2.890 1.00 0.00 O ATOM 0 H GLU A 11 1.927 15.515 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 11 4.710 14.605 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.716 16.278 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.696 15.003 1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.549 13.815 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.709 14.735 1.037 1.00 0.00 H new ATOM 166 N ILE A 12 2.200 12.566 -0.862 1.00 0.00 N ATOM 167 CA ILE A 12 1.822 11.144 -0.834 1.00 0.00 C ATOM 168 C ILE A 12 2.427 10.407 -2.048 1.00 0.00 C ATOM 169 O ILE A 12 2.621 9.196 -2.005 1.00 0.00 O ATOM 170 CB ILE A 12 0.275 10.935 -0.817 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.434 11.872 0.185 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.072 9.484 -0.491 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.036 11.688 1.640 1.00 0.00 C ATOM 0 H ILE A 12 1.430 13.197 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 12 2.221 10.730 0.092 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.083 11.181 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.232 12.904 -0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.510 11.722 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.155 9.362 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.363 8.828 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.328 9.226 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.590 12.392 2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.265 10.670 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.033 11.870 1.751 1.00 0.00 H new ATOM 185 N ARG A 13 2.744 11.163 -3.116 1.00 0.00 N ATOM 186 CA ARG A 13 3.369 10.610 -4.332 1.00 0.00 C ATOM 187 C ARG A 13 4.723 9.959 -4.025 1.00 0.00 C ATOM 188 O ARG A 13 5.044 8.906 -4.564 1.00 0.00 O ATOM 189 CB ARG A 13 3.593 11.698 -5.389 1.00 0.00 C ATOM 190 CG ARG A 13 2.376 12.553 -5.693 1.00 0.00 C ATOM 191 CD ARG A 13 2.575 13.417 -6.928 1.00 0.00 C ATOM 192 NE ARG A 13 3.732 14.316 -6.817 1.00 0.00 N ATOM 193 CZ ARG A 13 4.223 15.048 -7.829 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.661 14.998 -9.035 1.00 0.00 N ATOM 195 NH2 ARG A 13 5.276 15.832 -7.623 1.00 0.00 N ATOM 0 H ARG A 13 2.575 12.168 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 13 2.679 9.858 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.402 12.348 -5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.926 11.224 -6.312 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.509 11.909 -5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.159 13.191 -4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.704 12.774 -7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.676 14.009 -7.099 1.00 0.00 H new ATOM 0 HE ARG A 13 4.193 14.389 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.851 14.400 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.041 15.558 -9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.707 15.875 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.653 16.391 -8.388 1.00 0.00 H new ATOM 209 N GLU A 14 5.497 10.598 -3.145 1.00 0.00 N ATOM 210 CA GLU A 14 6.817 10.112 -2.761 1.00 0.00 C ATOM 211 C GLU A 14 6.696 8.941 -1.790 1.00 0.00 C ATOM 212 O GLU A 14 7.445 7.971 -1.903 1.00 0.00 O ATOM 213 CB GLU A 14 7.618 11.251 -2.122 1.00 0.00 C ATOM 214 CG GLU A 14 9.074 10.911 -1.851 1.00 0.00 C ATOM 215 CD GLU A 14 9.812 12.008 -1.124 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.048 13.072 -1.727 1.00 0.00 O ATOM 217 OE2 GLU A 14 10.164 11.806 0.055 1.00 0.00 O ATOM 0 H GLU A 14 5.224 11.465 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 14 7.338 9.763 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.575 12.122 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.141 11.534 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.124 9.995 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.576 10.709 -2.797 1.00 0.00 H new ATOM 224 N ALA A 15 5.728 9.033 -0.866 1.00 0.00 N ATOM 225 CA ALA A 15 5.464 7.973 0.116 1.00 0.00 C ATOM 226 C ALA A 15 5.020 6.678 -0.569 1.00 0.00 C ATOM 227 O ALA A 15 5.392 5.592 -0.148 1.00 0.00 O ATOM 228 CB ALA A 15 4.411 8.433 1.110 1.00 0.00 C ATOM 0 H ALA A 15 5.110 9.840 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 15 6.392 7.767 0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.223 7.640 1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.766 9.322 1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.488 8.667 0.580 1.00 0.00 H new ATOM 234 N PHE A 16 4.268 6.829 -1.662 1.00 0.00 N ATOM 235 CA PHE A 16 3.802 5.715 -2.486 1.00 0.00 C ATOM 236 C PHE A 16 4.975 4.937 -3.110 1.00 0.00 C ATOM 237 O PHE A 16 4.926 3.716 -3.231 1.00 0.00 O ATOM 238 CB PHE A 16 2.870 6.271 -3.581 1.00 0.00 C ATOM 239 CG PHE A 16 2.309 5.242 -4.515 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.350 4.350 -4.080 1.00 0.00 C ATOM 241 CD2 PHE A 16 2.752 5.158 -5.824 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.841 3.397 -4.925 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.242 4.206 -6.676 1.00 0.00 C ATOM 244 CZ PHE A 16 1.290 3.322 -6.222 1.00 0.00 C ATOM 0 H PHE A 16 3.963 7.741 -2.002 1.00 0.00 H new ATOM 0 HA PHE A 16 3.259 5.010 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.043 6.795 -3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.420 7.009 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.996 4.403 -3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.505 5.846 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.089 2.707 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.588 4.153 -7.698 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.895 2.568 -6.886 1.00 0.00 H new ATOM 254 N ARG A 17 6.036 5.659 -3.464 1.00 0.00 N ATOM 255 CA ARG A 17 7.196 5.084 -4.140 1.00 0.00 C ATOM 256 C ARG A 17 8.135 4.320 -3.190 1.00 0.00 C ATOM 257 O ARG A 17 8.970 3.534 -3.643 1.00 0.00 O ATOM 258 CB ARG A 17 7.946 6.194 -4.851 1.00 0.00 C ATOM 259 CG ARG A 17 7.111 6.868 -5.925 1.00 0.00 C ATOM 260 CD ARG A 17 7.932 7.839 -6.731 1.00 0.00 C ATOM 261 NE ARG A 17 8.165 9.103 -6.023 1.00 0.00 N ATOM 262 CZ ARG A 17 9.364 9.687 -5.874 1.00 0.00 C ATOM 263 NH1 ARG A 17 10.474 9.078 -6.284 1.00 0.00 N ATOM 264 NH2 ARG A 17 9.448 10.879 -5.302 1.00 0.00 N ATOM 0 H ARG A 17 6.115 6.661 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 17 6.832 4.347 -4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.262 6.939 -4.121 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.850 5.785 -5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.687 6.112 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.275 7.393 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.891 7.382 -6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.425 8.043 -7.674 1.00 0.00 H new ATOM 0 HE ARG A 17 7.357 9.572 -5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.420 8.156 -6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.379 9.533 -6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 17 8.603 11.349 -4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.357 11.326 -5.187 1.00 0.00 H new ATOM 278 N VAL A 18 7.999 4.552 -1.877 1.00 0.00 N ATOM 279 CA VAL A 18 8.766 3.784 -0.879 1.00 0.00 C ATOM 280 C VAL A 18 8.025 2.495 -0.563 1.00 0.00 C ATOM 281 O VAL A 18 8.638 1.442 -0.373 1.00 0.00 O ATOM 282 CB VAL A 18 8.973 4.518 0.472 1.00 0.00 C ATOM 283 CG1 VAL A 18 10.330 4.172 1.071 1.00 0.00 C ATOM 284 CG2 VAL A 18 8.802 6.013 0.358 1.00 0.00 C ATOM 0 H VAL A 18 7.374 5.255 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 18 9.745 3.621 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 18 8.191 4.165 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.454 4.697 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.389 3.097 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.119 4.474 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.958 6.473 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.529 6.409 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.795 6.238 0.008 1.00 0.00 H new ATOM 294 N PHE A 19 6.693 2.601 -0.513 1.00 0.00 N ATOM 295 CA PHE A 19 5.842 1.481 -0.148 1.00 0.00 C ATOM 296 C PHE A 19 5.741 0.452 -1.284 1.00 0.00 C ATOM 297 O PHE A 19 5.590 -0.747 -1.032 1.00 0.00 O ATOM 298 CB PHE A 19 4.442 1.962 0.257 1.00 0.00 C ATOM 299 CG PHE A 19 4.324 2.416 1.689 1.00 0.00 C ATOM 300 CD1 PHE A 19 4.851 3.623 2.113 1.00 0.00 C ATOM 301 CD2 PHE A 19 3.669 1.626 2.611 1.00 0.00 C ATOM 302 CE1 PHE A 19 4.725 4.034 3.423 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.539 2.026 3.927 1.00 0.00 C ATOM 304 CZ PHE A 19 4.070 3.232 4.334 1.00 0.00 C ATOM 0 H PHE A 19 6.185 3.460 -0.724 1.00 0.00 H new ATOM 0 HA PHE A 19 6.305 0.992 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.152 2.785 -0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.731 1.154 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.370 4.254 1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.251 0.680 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.138 4.982 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.023 1.396 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.973 3.547 5.362 1.00 0.00 H new ATOM 314 N ASP A 20 5.816 0.940 -2.529 1.00 0.00 N ATOM 315 CA ASP A 20 5.886 0.074 -3.694 1.00 0.00 C ATOM 316 C ASP A 20 7.337 -0.353 -3.901 1.00 0.00 C ATOM 317 O ASP A 20 8.177 0.438 -4.343 1.00 0.00 O ATOM 318 CB ASP A 20 5.347 0.773 -4.956 1.00 0.00 C ATOM 319 CG ASP A 20 5.061 -0.194 -6.098 1.00 0.00 C ATOM 320 OD1 ASP A 20 5.869 -1.070 -6.382 1.00 0.00 O ATOM 321 OD2 ASP A 20 4.009 -0.108 -6.712 1.00 0.00 O ATOM 0 H ASP A 20 5.829 1.936 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 20 5.259 -0.800 -3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.432 1.310 -4.704 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.071 1.516 -5.290 1.00 0.00 H new ATOM 326 N LYS A 21 7.607 -1.610 -3.571 1.00 0.00 N ATOM 327 CA LYS A 21 8.957 -2.163 -3.584 1.00 0.00 C ATOM 328 C LYS A 21 9.461 -2.521 -4.989 1.00 0.00 C ATOM 329 O LYS A 21 10.667 -2.612 -5.203 1.00 0.00 O ATOM 330 CB LYS A 21 9.022 -3.390 -2.677 1.00 0.00 C ATOM 331 CG LYS A 21 8.802 -3.071 -1.200 1.00 0.00 C ATOM 332 CD LYS A 21 9.876 -2.132 -0.638 1.00 0.00 C ATOM 333 CE LYS A 21 11.065 -2.876 -0.022 1.00 0.00 C ATOM 334 NZ LYS A 21 11.857 -3.662 -1.007 1.00 0.00 N ATOM 0 H LYS A 21 6.892 -2.279 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 21 9.617 -1.380 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.271 -4.111 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.994 -3.868 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.821 -2.614 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.799 -3.999 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.236 -1.483 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.427 -1.488 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.721 -2.154 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.699 -3.548 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.778 -3.911 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.341 -4.531 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.006 -3.094 -1.865 1.00 0.00 H new ATOM 348 N ASP A 22 8.545 -2.728 -5.932 1.00 0.00 N ATOM 349 CA ASP A 22 8.931 -3.138 -7.288 1.00 0.00 C ATOM 350 C ASP A 22 8.823 -1.979 -8.301 1.00 0.00 C ATOM 351 O ASP A 22 9.314 -2.080 -9.428 1.00 0.00 O ATOM 352 CB ASP A 22 8.085 -4.349 -7.745 1.00 0.00 C ATOM 353 CG ASP A 22 6.585 -4.139 -7.587 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.044 -3.222 -8.192 1.00 0.00 O ATOM 355 OD2 ASP A 22 5.927 -4.881 -6.845 1.00 0.00 O ATOM 0 H ASP A 22 7.541 -2.621 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 22 9.980 -3.433 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.305 -4.562 -8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.383 -5.227 -7.172 1.00 0.00 H new ATOM 360 N GLY A 23 8.193 -0.888 -7.864 1.00 0.00 N ATOM 361 CA GLY A 23 8.034 0.319 -8.664 1.00 0.00 C ATOM 362 C GLY A 23 7.081 0.185 -9.855 1.00 0.00 C ATOM 363 O GLY A 23 7.345 0.765 -10.910 1.00 0.00 O ATOM 0 H GLY A 23 7.776 -0.820 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.674 1.120 -8.018 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.013 0.623 -9.034 1.00 0.00 H new ATOM 367 N ASN A 24 5.972 -0.561 -9.711 1.00 0.00 N ATOM 368 CA ASN A 24 5.046 -0.758 -10.843 1.00 0.00 C ATOM 369 C ASN A 24 3.803 0.144 -10.763 1.00 0.00 C ATOM 370 O ASN A 24 3.041 0.234 -11.730 1.00 0.00 O ATOM 371 CB ASN A 24 4.621 -2.241 -11.008 1.00 0.00 C ATOM 372 CG ASN A 24 3.576 -2.754 -10.009 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.529 -2.354 -8.841 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.736 -3.664 -10.468 1.00 0.00 N ATOM 0 H ASN A 24 5.698 -1.027 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 24 5.611 -0.465 -11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.229 -2.376 -12.016 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.511 -2.865 -10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.023 -4.057 -9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.800 -3.974 -11.438 1.00 0.00 H new ATOM 381 N GLY A 25 3.599 0.800 -9.620 1.00 0.00 N ATOM 382 CA GLY A 25 2.457 1.694 -9.462 1.00 0.00 C ATOM 383 C GLY A 25 1.277 1.030 -8.775 1.00 0.00 C ATOM 384 O GLY A 25 0.168 1.565 -8.781 1.00 0.00 O ATOM 0 H GLY A 25 4.203 0.729 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.763 2.567 -8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.145 2.053 -10.443 1.00 0.00 H new ATOM 388 N TYR A 26 1.531 -0.129 -8.174 1.00 0.00 N ATOM 389 CA TYR A 26 0.520 -0.930 -7.488 1.00 0.00 C ATOM 390 C TYR A 26 1.124 -1.565 -6.236 1.00 0.00 C ATOM 391 O TYR A 26 2.178 -2.214 -6.312 1.00 0.00 O ATOM 392 CB TYR A 26 0.018 -2.067 -8.388 1.00 0.00 C ATOM 393 CG TYR A 26 -0.688 -1.600 -9.626 1.00 0.00 C ATOM 394 CD1 TYR A 26 -1.895 -0.953 -9.525 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.135 -1.782 -10.884 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.548 -0.501 -10.636 1.00 0.00 C ATOM 397 CE2 TYR A 26 -0.780 -1.329 -12.009 1.00 0.00 C ATOM 398 CZ TYR A 26 -1.992 -0.685 -11.883 1.00 0.00 C ATOM 399 OH TYR A 26 -2.647 -0.234 -13.009 1.00 0.00 O ATOM 0 H TYR A 26 2.462 -0.546 -8.149 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.307 -0.268 -7.230 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.866 -2.688 -8.678 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.659 -2.700 -7.813 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.335 -0.799 -8.551 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.815 -2.286 -10.981 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.499 0.000 -10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.341 -1.476 -12.985 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.114 -0.445 -13.804 1.00 0.00 H new ATOM 409 N ILE A 27 0.458 -1.427 -5.107 1.00 0.00 N ATOM 410 CA ILE A 27 0.932 -2.018 -3.863 1.00 0.00 C ATOM 411 C ILE A 27 0.131 -3.283 -3.569 1.00 0.00 C ATOM 412 O ILE A 27 -1.093 -3.238 -3.441 1.00 0.00 O ATOM 413 CB ILE A 27 0.845 -1.027 -2.661 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.621 0.263 -2.972 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.394 -1.666 -1.384 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.464 1.349 -1.926 1.00 0.00 C ATOM 0 H ILE A 27 -0.417 -0.909 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 27 1.986 -2.264 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.206 -0.783 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.679 0.022 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.289 0.651 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.322 -0.955 -0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.814 -2.557 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.438 -1.942 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.043 2.224 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.412 1.621 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.824 0.983 -0.965 1.00 0.00 H new ATOM 428 N SER A 28 0.827 -4.407 -3.517 1.00 0.00 N ATOM 429 CA SER A 28 0.208 -5.678 -3.184 1.00 0.00 C ATOM 430 C SER A 28 0.300 -5.940 -1.682 1.00 0.00 C ATOM 431 O SER A 28 0.906 -5.156 -0.938 1.00 0.00 O ATOM 432 CB SER A 28 0.892 -6.804 -3.959 1.00 0.00 C ATOM 433 OG SER A 28 2.274 -6.879 -3.639 1.00 0.00 O ATOM 0 H SER A 28 1.828 -4.464 -3.703 1.00 0.00 H new ATOM 0 HA SER A 28 -0.845 -5.641 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.410 -7.754 -3.728 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.772 -6.638 -5.030 1.00 0.00 H new ATOM 0 HG SER A 28 2.688 -7.608 -4.147 1.00 0.00 H new ATOM 439 N ALA A 29 -0.282 -7.056 -1.250 1.00 0.00 N ATOM 440 CA ALA A 29 -0.245 -7.458 0.148 1.00 0.00 C ATOM 441 C ALA A 29 1.153 -7.914 0.573 1.00 0.00 C ATOM 442 O ALA A 29 1.486 -7.836 1.732 1.00 0.00 O ATOM 443 CB ALA A 29 -1.273 -8.552 0.413 1.00 0.00 C ATOM 0 H ALA A 29 -0.788 -7.701 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.497 -6.585 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.233 -8.842 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.270 -8.179 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.052 -9.418 -0.211 1.00 0.00 H new ATOM 449 N ALA A 30 1.974 -8.373 -0.371 1.00 0.00 N ATOM 450 CA ALA A 30 3.350 -8.773 -0.064 1.00 0.00 C ATOM 451 C ALA A 30 4.273 -7.557 0.059 1.00 0.00 C ATOM 452 O ALA A 30 5.238 -7.587 0.817 1.00 0.00 O ATOM 453 CB ALA A 30 3.883 -9.721 -1.121 1.00 0.00 C ATOM 0 H ALA A 30 1.713 -8.477 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 30 3.332 -9.287 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.906 -10.005 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.258 -10.613 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.869 -9.227 -2.093 1.00 0.00 H new ATOM 459 N GLU A 31 3.958 -6.487 -0.689 1.00 0.00 N ATOM 460 CA GLU A 31 4.747 -5.245 -0.661 1.00 0.00 C ATOM 461 C GLU A 31 4.517 -4.467 0.625 1.00 0.00 C ATOM 462 O GLU A 31 5.473 -4.005 1.254 1.00 0.00 O ATOM 463 CB GLU A 31 4.406 -4.352 -1.851 1.00 0.00 C ATOM 464 CG GLU A 31 4.863 -4.910 -3.175 1.00 0.00 C ATOM 465 CD GLU A 31 4.388 -4.079 -4.336 1.00 0.00 C ATOM 466 OE1 GLU A 31 4.944 -3.003 -4.563 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.458 -4.501 -5.053 1.00 0.00 O ATOM 0 H GLU A 31 3.159 -6.458 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 31 5.796 -5.536 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.327 -4.200 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.861 -3.373 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.952 -4.962 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.493 -5.930 -3.285 1.00 0.00 H new ATOM 474 N LEU A 32 3.243 -4.352 1.019 1.00 0.00 N ATOM 475 CA LEU A 32 2.866 -3.659 2.244 1.00 0.00 C ATOM 476 C LEU A 32 3.277 -4.478 3.473 1.00 0.00 C ATOM 477 O LEU A 32 3.596 -3.919 4.510 1.00 0.00 O ATOM 478 CB LEU A 32 1.361 -3.383 2.261 1.00 0.00 C ATOM 479 CG LEU A 32 0.854 -2.546 3.441 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.361 -1.115 3.359 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.656 -2.568 3.495 1.00 0.00 C ATOM 0 H LEU A 32 2.454 -4.735 0.498 1.00 0.00 H new ATOM 0 HA LEU A 32 3.391 -2.705 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.093 -2.873 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.835 -4.338 2.263 1.00 0.00 H new ATOM 0 HG LEU A 32 1.244 -2.989 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.985 -0.546 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.451 -1.114 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.011 -0.658 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.999 -1.969 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.059 -2.156 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.001 -3.595 3.616 1.00 0.00 H new ATOM 493 N ARG A 33 3.301 -5.808 3.326 1.00 0.00 N ATOM 494 CA ARG A 33 3.794 -6.702 4.378 1.00 0.00 C ATOM 495 C ARG A 33 5.279 -6.495 4.607 1.00 0.00 C ATOM 496 O ARG A 33 5.731 -6.465 5.752 1.00 0.00 O ATOM 497 CB ARG A 33 3.496 -8.163 4.004 1.00 0.00 C ATOM 498 CG ARG A 33 4.360 -9.210 4.688 1.00 0.00 C ATOM 499 CD ARG A 33 3.784 -10.593 4.517 1.00 0.00 C ATOM 500 NE ARG A 33 3.495 -10.945 3.124 1.00 0.00 N ATOM 501 CZ ARG A 33 4.022 -11.989 2.477 1.00 0.00 C ATOM 502 NH1 ARG A 33 5.035 -12.673 3.005 1.00 0.00 N ATOM 503 NH2 ARG A 33 3.548 -12.330 1.288 1.00 0.00 N ATOM 0 H ARG A 33 2.983 -6.289 2.485 1.00 0.00 H new ATOM 0 HA ARG A 33 3.278 -6.467 5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.452 -8.372 4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.610 -8.273 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.368 -9.180 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.445 -8.978 5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.483 -11.321 4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 33 2.866 -10.669 5.099 1.00 0.00 H new ATOM 0 HE ARG A 33 2.844 -10.350 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.416 -12.402 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.430 -13.468 2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.785 -11.797 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.946 -13.126 0.789 1.00 0.00 H new ATOM 517 N HIS A 34 6.008 -6.269 3.518 1.00 0.00 N ATOM 518 CA HIS A 34 7.445 -6.237 3.575 1.00 0.00 C ATOM 519 C HIS A 34 7.901 -4.938 4.232 1.00 0.00 C ATOM 520 O HIS A 34 8.838 -4.948 5.004 1.00 0.00 O ATOM 521 CB HIS A 34 8.054 -6.398 2.172 1.00 0.00 C ATOM 522 CG HIS A 34 9.538 -6.639 2.168 1.00 0.00 C ATOM 523 ND1 HIS A 34 10.575 -5.779 2.045 1.00 0.00 N flip ATOM 524 CD2 HIS A 34 10.097 -7.888 2.331 1.00 0.00 C flip ATOM 525 CE1 HIS A 34 11.726 -6.516 2.137 1.00 0.00 C flip ATOM 526 NE2 HIS A 34 11.411 -7.784 2.310 1.00 0.00 N flip ATOM 0 H HIS A 34 5.616 -6.107 2.590 1.00 0.00 H new ATOM 0 HA HIS A 34 7.796 -7.075 4.177 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.561 -7.229 1.667 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.841 -5.501 1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.545 -8.808 2.456 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.730 -6.122 2.077 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.072 -8.554 2.411 1.00 0.00 H new ATOM 535 N VAL A 35 7.194 -3.842 3.948 1.00 0.00 N ATOM 536 CA VAL A 35 7.539 -2.538 4.516 1.00 0.00 C ATOM 537 C VAL A 35 7.100 -2.399 5.984 1.00 0.00 C ATOM 538 O VAL A 35 7.742 -1.681 6.732 1.00 0.00 O ATOM 539 CB VAL A 35 6.997 -1.346 3.680 1.00 0.00 C ATOM 540 CG1 VAL A 35 7.668 -1.296 2.318 1.00 0.00 C ATOM 541 CG2 VAL A 35 5.486 -1.386 3.524 1.00 0.00 C ATOM 0 H VAL A 35 6.382 -3.832 3.330 1.00 0.00 H new ATOM 0 HA VAL A 35 8.628 -2.496 4.481 1.00 0.00 H new ATOM 0 HB VAL A 35 7.240 -0.437 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.274 -0.454 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.744 -1.175 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.469 -2.223 1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.159 -0.531 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.196 -2.308 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.018 -1.347 4.507 1.00 0.00 H new ATOM 551 N MET A 36 6.038 -3.113 6.398 1.00 0.00 N ATOM 552 CA MET A 36 5.600 -3.113 7.807 1.00 0.00 C ATOM 553 C MET A 36 6.598 -3.866 8.681 1.00 0.00 C ATOM 554 O MET A 36 6.919 -3.441 9.794 1.00 0.00 O ATOM 555 CB MET A 36 4.215 -3.757 7.969 1.00 0.00 C ATOM 556 CG MET A 36 3.065 -2.928 7.429 1.00 0.00 C ATOM 557 SD MET A 36 2.900 -1.326 8.227 1.00 0.00 S ATOM 558 CE MET A 36 1.503 -0.671 7.321 1.00 0.00 C ATOM 0 H MET A 36 5.470 -3.694 5.782 1.00 0.00 H new ATOM 0 HA MET A 36 5.544 -2.071 8.123 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.217 -4.723 7.465 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.040 -3.950 9.027 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.206 -2.779 6.358 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.136 -3.485 7.554 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.032 0.122 7.902 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.844 -0.268 6.368 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.781 -1.467 7.141 1.00 0.00 H new ATOM 568 N THR A 37 7.097 -4.978 8.148 1.00 0.00 N ATOM 569 CA THR A 37 8.103 -5.802 8.814 1.00 0.00 C ATOM 570 C THR A 37 9.482 -5.109 8.795 1.00 0.00 C ATOM 571 O THR A 37 10.251 -5.222 9.751 1.00 0.00 O ATOM 572 CB THR A 37 8.154 -7.196 8.141 1.00 0.00 C ATOM 573 OG1 THR A 37 6.828 -7.736 8.084 1.00 0.00 O ATOM 574 CG2 THR A 37 9.047 -8.178 8.890 1.00 0.00 C ATOM 0 H THR A 37 6.813 -5.335 7.236 1.00 0.00 H new ATOM 0 HA THR A 37 7.827 -5.933 9.860 1.00 0.00 H new ATOM 0 HB THR A 37 8.573 -7.060 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.360 -7.373 7.303 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.045 -9.138 8.374 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.064 -7.788 8.928 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.671 -8.311 9.904 1.00 0.00 H new ATOM 582 N ASN A 38 9.752 -4.343 7.724 1.00 0.00 N ATOM 583 CA ASN A 38 10.983 -3.543 7.603 1.00 0.00 C ATOM 584 C ASN A 38 11.023 -2.393 8.608 1.00 0.00 C ATOM 585 O ASN A 38 12.094 -2.030 9.089 1.00 0.00 O ATOM 586 CB ASN A 38 11.130 -2.961 6.191 1.00 0.00 C ATOM 587 CG ASN A 38 11.902 -3.855 5.230 1.00 0.00 C ATOM 588 OD1 ASN A 38 11.902 -5.080 5.346 1.00 0.00 O ATOM 589 ND2 ASN A 38 12.560 -3.239 4.264 1.00 0.00 N ATOM 0 H ASN A 38 9.127 -4.261 6.922 1.00 0.00 H new ATOM 0 HA ASN A 38 11.808 -4.224 7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.137 -2.775 5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.633 -1.996 6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 38 13.091 -3.781 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.537 -2.221 4.200 1.00 0.00 H new ATOM 596 N LEU A 39 9.848 -1.840 8.934 1.00 0.00 N ATOM 597 CA LEU A 39 9.729 -0.752 9.913 1.00 0.00 C ATOM 598 C LEU A 39 9.834 -1.263 11.354 1.00 0.00 C ATOM 599 O LEU A 39 9.887 -0.468 12.296 1.00 0.00 O ATOM 600 CB LEU A 39 8.401 -0.005 9.728 1.00 0.00 C ATOM 601 CG LEU A 39 8.280 0.834 8.450 1.00 0.00 C ATOM 602 CD1 LEU A 39 6.876 1.404 8.321 1.00 0.00 C ATOM 603 CD2 LEU A 39 9.311 1.953 8.439 1.00 0.00 C ATOM 0 H LEU A 39 8.958 -2.132 8.530 1.00 0.00 H new ATOM 0 HA LEU A 39 10.560 -0.070 9.735 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.591 -0.734 9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.252 0.651 10.586 1.00 0.00 H new ATOM 0 HG LEU A 39 8.472 0.185 7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.806 1.997 7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.154 0.588 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.659 2.036 9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.207 2.535 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.154 2.601 9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.313 1.525 8.485 1.00 0.00 H new ATOM 615 N GLY A 40 9.843 -2.589 11.520 1.00 0.00 N ATOM 616 CA GLY A 40 9.996 -3.194 12.832 1.00 0.00 C ATOM 617 C GLY A 40 8.678 -3.389 13.551 1.00 0.00 C ATOM 618 O GLY A 40 8.652 -3.828 14.700 1.00 0.00 O ATOM 0 H GLY A 40 9.746 -3.259 10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.492 -4.159 12.725 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.647 -2.567 13.441 1.00 0.00 H new ATOM 622 N GLU A 41 7.585 -3.057 12.873 1.00 0.00 N ATOM 623 CA GLU A 41 6.250 -3.200 13.436 1.00 0.00 C ATOM 624 C GLU A 41 5.782 -4.642 13.313 1.00 0.00 C ATOM 625 O GLU A 41 5.140 -5.159 14.227 1.00 0.00 O ATOM 626 CB GLU A 41 5.286 -2.229 12.748 1.00 0.00 C ATOM 627 CG GLU A 41 5.692 -0.774 12.927 1.00 0.00 C ATOM 628 CD GLU A 41 4.743 0.198 12.264 1.00 0.00 C ATOM 629 OE1 GLU A 41 3.694 0.516 12.861 1.00 0.00 O ATOM 630 OE2 GLU A 41 5.047 0.659 11.150 1.00 0.00 O ATOM 0 H GLU A 41 7.600 -2.684 11.924 1.00 0.00 H new ATOM 0 HA GLU A 41 6.273 -2.950 14.497 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.241 -2.461 11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.283 -2.374 13.149 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.747 -0.548 13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.692 -0.630 12.518 1.00 0.00 H new ATOM 637 N LYS A 42 6.155 -5.264 12.176 1.00 0.00 N ATOM 638 CA LYS A 42 5.982 -6.697 11.915 1.00 0.00 C ATOM 639 C LYS A 42 4.499 -7.091 11.920 1.00 0.00 C ATOM 640 O LYS A 42 3.947 -7.555 12.927 1.00 0.00 O ATOM 641 CB LYS A 42 6.799 -7.530 12.919 1.00 0.00 C ATOM 642 CG LYS A 42 7.033 -8.970 12.511 1.00 0.00 C ATOM 643 CD LYS A 42 7.684 -9.744 13.645 1.00 0.00 C ATOM 644 CE LYS A 42 7.925 -11.194 13.276 1.00 0.00 C ATOM 645 NZ LYS A 42 8.480 -11.959 14.419 1.00 0.00 N ATOM 0 H LYS A 42 6.594 -4.768 11.400 1.00 0.00 H new ATOM 0 HA LYS A 42 6.363 -6.911 10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.765 -7.048 13.067 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.286 -7.519 13.881 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.086 -9.436 12.241 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.669 -9.005 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.632 -9.274 13.908 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.048 -9.695 14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.989 -11.649 12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.613 -11.247 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.633 -12.947 14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.385 -11.539 14.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.811 -11.928 15.215 1.00 0.00 H new ATOM 659 N LEU A 43 3.857 -6.848 10.790 1.00 0.00 N ATOM 660 CA LEU A 43 2.442 -7.138 10.627 1.00 0.00 C ATOM 661 C LEU A 43 2.288 -8.474 9.909 1.00 0.00 C ATOM 662 O LEU A 43 3.025 -8.744 8.953 1.00 0.00 O ATOM 663 CB LEU A 43 1.772 -6.015 9.824 1.00 0.00 C ATOM 664 CG LEU A 43 0.436 -5.506 10.369 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.635 -4.815 11.706 1.00 0.00 C ATOM 666 CD2 LEU A 43 -0.219 -4.561 9.372 1.00 0.00 C ATOM 0 H LEU A 43 4.299 -6.446 9.963 1.00 0.00 H new ATOM 0 HA LEU A 43 1.960 -7.199 11.603 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.463 -5.174 9.767 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.615 -6.368 8.805 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.224 -6.361 10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.326 -4.459 12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.063 -5.519 12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.311 -3.969 11.581 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.168 -4.208 9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.438 -3.710 9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.396 -5.087 8.434 1.00 0.00 H new ATOM 678 N THR A 44 1.344 -9.305 10.362 1.00 0.00 N ATOM 679 CA THR A 44 1.165 -10.639 9.782 1.00 0.00 C ATOM 680 C THR A 44 0.467 -10.568 8.424 1.00 0.00 C ATOM 681 O THR A 44 -0.090 -9.532 8.057 1.00 0.00 O ATOM 682 CB THR A 44 0.372 -11.590 10.710 1.00 0.00 C ATOM 683 OG1 THR A 44 -0.954 -11.104 10.914 1.00 0.00 O ATOM 684 CG2 THR A 44 1.069 -11.769 12.058 1.00 0.00 C ATOM 0 H THR A 44 0.699 -9.081 11.120 1.00 0.00 H new ATOM 0 HA THR A 44 2.169 -11.044 9.655 1.00 0.00 H new ATOM 0 HB THR A 44 0.326 -12.561 10.217 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.929 -10.322 11.504 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.484 -12.443 12.684 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.062 -12.190 11.901 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.159 -10.802 12.552 1.00 0.00 H new ATOM 692 N ASP A 45 0.485 -11.694 7.715 1.00 0.00 N ATOM 693 CA ASP A 45 -0.011 -11.797 6.334 1.00 0.00 C ATOM 694 C ASP A 45 -1.497 -11.423 6.213 1.00 0.00 C ATOM 695 O ASP A 45 -1.885 -10.702 5.291 1.00 0.00 O ATOM 696 CB ASP A 45 0.216 -13.229 5.851 1.00 0.00 C ATOM 697 CG ASP A 45 -0.157 -13.459 4.401 1.00 0.00 C ATOM 698 OD1 ASP A 45 0.685 -13.189 3.521 1.00 0.00 O ATOM 699 OD2 ASP A 45 -1.280 -13.932 4.136 1.00 0.00 O ATOM 0 H ASP A 45 0.847 -12.574 8.082 1.00 0.00 H new ATOM 0 HA ASP A 45 0.537 -11.087 5.715 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.266 -13.486 5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.364 -13.908 6.476 1.00 0.00 H new ATOM 704 N GLU A 46 -2.304 -11.879 7.176 1.00 0.00 N ATOM 705 CA GLU A 46 -3.740 -11.603 7.177 1.00 0.00 C ATOM 706 C GLU A 46 -4.043 -10.158 7.574 1.00 0.00 C ATOM 707 O GLU A 46 -4.958 -9.563 7.019 1.00 0.00 O ATOM 708 CB GLU A 46 -4.490 -12.564 8.101 1.00 0.00 C ATOM 709 CG GLU A 46 -4.371 -14.025 7.693 1.00 0.00 C ATOM 710 CD GLU A 46 -5.308 -14.924 8.471 1.00 0.00 C ATOM 711 OE1 GLU A 46 -4.935 -15.381 9.568 1.00 0.00 O ATOM 712 OE2 GLU A 46 -6.429 -15.177 7.986 1.00 0.00 O ATOM 0 H GLU A 46 -1.985 -12.441 7.965 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.088 -11.755 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.111 -12.448 9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.544 -12.286 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.583 -14.120 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.344 -14.358 7.844 1.00 0.00 H new ATOM 719 N GLU A 47 -3.255 -9.595 8.514 1.00 0.00 N ATOM 720 CA GLU A 47 -3.414 -8.192 8.954 1.00 0.00 C ATOM 721 C GLU A 47 -3.114 -7.206 7.835 1.00 0.00 C ATOM 722 O GLU A 47 -3.765 -6.174 7.725 1.00 0.00 O ATOM 723 CB GLU A 47 -2.490 -7.866 10.119 1.00 0.00 C ATOM 724 CG GLU A 47 -2.887 -8.486 11.434 1.00 0.00 C ATOM 725 CD GLU A 47 -1.902 -8.130 12.521 1.00 0.00 C ATOM 726 OE1 GLU A 47 -0.844 -8.788 12.602 1.00 0.00 O ATOM 727 OE2 GLU A 47 -2.167 -7.187 13.286 1.00 0.00 O ATOM 0 H GLU A 47 -2.499 -10.093 8.985 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.456 -8.093 9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.482 -8.195 9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.450 -6.784 10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.883 -8.144 11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.940 -9.569 11.328 1.00 0.00 H new ATOM 734 N VAL A 48 -2.115 -7.533 7.019 1.00 0.00 N ATOM 735 CA VAL A 48 -1.721 -6.701 5.890 1.00 0.00 C ATOM 736 C VAL A 48 -2.785 -6.749 4.782 1.00 0.00 C ATOM 737 O VAL A 48 -3.023 -5.750 4.115 1.00 0.00 O ATOM 738 CB VAL A 48 -0.334 -7.126 5.342 1.00 0.00 C ATOM 739 CG1 VAL A 48 0.042 -6.343 4.106 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.740 -6.932 6.390 1.00 0.00 C ATOM 0 H VAL A 48 -1.558 -8.381 7.123 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.641 -5.672 6.241 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.408 -8.182 5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.020 -6.669 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.701 -6.513 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.079 -5.280 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.704 -7.237 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.783 -5.881 6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.508 -7.538 7.266 1.00 0.00 H new ATOM 750 N ASP A 49 -3.452 -7.896 4.633 1.00 0.00 N ATOM 751 CA ASP A 49 -4.540 -8.044 3.662 1.00 0.00 C ATOM 752 C ASP A 49 -5.772 -7.220 4.095 1.00 0.00 C ATOM 753 O ASP A 49 -6.511 -6.712 3.250 1.00 0.00 O ATOM 754 CB ASP A 49 -4.880 -9.530 3.504 1.00 0.00 C ATOM 755 CG ASP A 49 -5.770 -9.823 2.307 1.00 0.00 C ATOM 756 OD1 ASP A 49 -5.308 -9.674 1.159 1.00 0.00 O ATOM 757 OD2 ASP A 49 -6.921 -10.250 2.509 1.00 0.00 O ATOM 0 H ASP A 49 -3.257 -8.738 5.174 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.220 -7.658 2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.955 -10.098 3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.375 -9.880 4.410 1.00 0.00 H new ATOM 762 N GLU A 50 -5.957 -7.063 5.420 1.00 0.00 N ATOM 763 CA GLU A 50 -6.976 -6.156 5.985 1.00 0.00 C ATOM 764 C GLU A 50 -6.632 -4.685 5.694 1.00 0.00 C ATOM 765 O GLU A 50 -7.516 -3.860 5.509 1.00 0.00 O ATOM 766 CB GLU A 50 -7.114 -6.319 7.511 1.00 0.00 C ATOM 767 CG GLU A 50 -7.350 -7.742 8.008 1.00 0.00 C ATOM 768 CD GLU A 50 -8.573 -8.404 7.413 1.00 0.00 C ATOM 769 OE1 GLU A 50 -9.685 -8.181 7.924 1.00 0.00 O ATOM 770 OE2 GLU A 50 -8.427 -9.151 6.433 1.00 0.00 O ATOM 0 H GLU A 50 -5.409 -7.557 6.124 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.918 -6.426 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.209 -5.935 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.940 -5.694 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.473 -8.347 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.450 -7.726 9.093 1.00 0.00 H new ATOM 777 N MET A 51 -5.339 -4.370 5.650 1.00 0.00 N ATOM 778 CA MET A 51 -4.878 -3.015 5.340 1.00 0.00 C ATOM 779 C MET A 51 -4.987 -2.726 3.840 1.00 0.00 C ATOM 780 O MET A 51 -5.152 -1.573 3.444 1.00 0.00 O ATOM 781 CB MET A 51 -3.431 -2.810 5.799 1.00 0.00 C ATOM 782 CG MET A 51 -3.217 -2.983 7.294 1.00 0.00 C ATOM 783 SD MET A 51 -4.142 -1.795 8.284 1.00 0.00 S ATOM 784 CE MET A 51 -3.307 -0.269 7.871 1.00 0.00 C ATOM 0 H MET A 51 -4.588 -5.037 5.826 1.00 0.00 H new ATOM 0 HA MET A 51 -5.522 -2.320 5.880 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.791 -3.515 5.269 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.110 -1.809 5.512 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.510 -3.993 7.582 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.155 -2.883 7.517 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.608 0.511 8.570 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.229 -0.416 7.934 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.574 0.029 6.857 1.00 0.00 H new ATOM 794 N ILE A 52 -4.888 -3.779 3.020 1.00 0.00 N ATOM 795 CA ILE A 52 -5.044 -3.670 1.570 1.00 0.00 C ATOM 796 C ILE A 52 -6.492 -3.354 1.204 1.00 0.00 C ATOM 797 O ILE A 52 -6.721 -2.492 0.383 1.00 0.00 O ATOM 798 CB ILE A 52 -4.534 -4.956 0.830 1.00 0.00 C ATOM 799 CG1 ILE A 52 -3.007 -5.083 0.970 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.934 -4.989 -0.656 1.00 0.00 C ATOM 801 CD1 ILE A 52 -2.208 -3.928 0.382 1.00 0.00 C ATOM 0 H ILE A 52 -4.698 -4.727 3.345 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.421 -2.842 1.232 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.018 -5.807 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.761 -5.174 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.689 -6.007 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.554 -5.901 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.020 -4.966 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.512 -4.123 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.143 -4.109 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.417 -3.846 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.490 -3.000 0.879 1.00 0.00 H new ATOM 813 N ARG A 53 -7.464 -4.001 1.854 1.00 0.00 N ATOM 814 CA ARG A 53 -8.882 -3.738 1.566 1.00 0.00 C ATOM 815 C ARG A 53 -9.345 -2.379 2.128 1.00 0.00 C ATOM 816 O ARG A 53 -10.316 -1.809 1.635 1.00 0.00 O ATOM 817 CB ARG A 53 -9.784 -4.864 2.093 1.00 0.00 C ATOM 818 CG ARG A 53 -9.642 -5.116 3.583 1.00 0.00 C ATOM 819 CD ARG A 53 -10.790 -5.920 4.156 1.00 0.00 C ATOM 820 NE ARG A 53 -10.648 -6.111 5.601 1.00 0.00 N ATOM 821 CZ ARG A 53 -10.973 -5.208 6.539 1.00 0.00 C ATOM 822 NH1 ARG A 53 -11.506 -4.030 6.209 1.00 0.00 N ATOM 823 NH2 ARG A 53 -10.772 -5.502 7.814 1.00 0.00 N ATOM 0 H ARG A 53 -7.301 -4.703 2.576 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.974 -3.701 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.823 -4.618 1.873 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.554 -5.783 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.707 -5.644 3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.579 -4.161 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.731 -5.411 3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.836 -6.891 3.663 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.271 -7.003 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.673 -3.803 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.746 -3.357 6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.375 -6.405 8.073 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.014 -4.825 8.538 1.00 0.00 H new ATOM 837 N GLU A 54 -8.637 -1.862 3.141 1.00 0.00 N ATOM 838 CA GLU A 54 -8.927 -0.536 3.697 1.00 0.00 C ATOM 839 C GLU A 54 -8.284 0.576 2.856 1.00 0.00 C ATOM 840 O GLU A 54 -8.653 1.742 2.980 1.00 0.00 O ATOM 841 CB GLU A 54 -8.452 -0.445 5.155 1.00 0.00 C ATOM 842 CG GLU A 54 -9.333 -1.218 6.132 1.00 0.00 C ATOM 843 CD GLU A 54 -8.874 -1.114 7.580 1.00 0.00 C ATOM 844 OE1 GLU A 54 -9.116 -0.063 8.210 1.00 0.00 O ATOM 845 OE2 GLU A 54 -8.322 -2.100 8.108 1.00 0.00 O ATOM 0 H GLU A 54 -7.859 -2.343 3.592 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.008 -0.395 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.432 -0.823 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.423 0.603 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.356 -0.849 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.351 -2.268 5.840 1.00 0.00 H new ATOM 852 N ALA A 55 -7.322 0.210 2.010 1.00 0.00 N ATOM 853 CA ALA A 55 -6.675 1.161 1.116 1.00 0.00 C ATOM 854 C ALA A 55 -7.292 1.117 -0.279 1.00 0.00 C ATOM 855 O ALA A 55 -7.389 2.137 -0.960 1.00 0.00 O ATOM 856 CB ALA A 55 -5.183 0.879 1.037 1.00 0.00 C ATOM 0 H ALA A 55 -6.974 -0.745 1.927 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.828 2.161 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.712 1.597 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.743 0.968 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.023 -0.131 0.659 1.00 0.00 H new ATOM 862 N ASP A 56 -7.732 -0.074 -0.676 1.00 0.00 N ATOM 863 CA ASP A 56 -8.240 -0.317 -2.016 1.00 0.00 C ATOM 864 C ASP A 56 -9.701 0.085 -2.114 1.00 0.00 C ATOM 865 O ASP A 56 -10.563 -0.419 -1.385 1.00 0.00 O ATOM 866 CB ASP A 56 -8.054 -1.786 -2.414 1.00 0.00 C ATOM 867 CG ASP A 56 -7.873 -1.953 -3.904 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.811 -1.619 -4.408 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.798 -2.383 -4.588 1.00 0.00 O ATOM 0 H ASP A 56 -7.745 -0.897 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.668 0.296 -2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.186 -2.194 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.920 -2.362 -2.088 1.00 0.00 H new ATOM 874 N ILE A 57 -9.938 1.039 -2.992 1.00 0.00 N ATOM 875 CA ILE A 57 -11.255 1.602 -3.238 1.00 0.00 C ATOM 876 C ILE A 57 -12.077 0.685 -4.156 1.00 0.00 C ATOM 877 O ILE A 57 -13.225 0.356 -3.850 1.00 0.00 O ATOM 878 CB ILE A 57 -11.120 3.006 -3.902 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.219 3.923 -3.056 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.486 3.657 -4.100 1.00 0.00 C ATOM 881 CD1 ILE A 57 -9.806 5.195 -3.765 1.00 0.00 C ATOM 0 H ILE A 57 -9.206 1.455 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.768 1.696 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.662 2.865 -4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.743 4.184 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.324 3.372 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.359 4.635 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.100 3.026 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.976 3.776 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.173 5.790 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.253 4.944 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.694 5.769 -4.030 1.00 0.00 H new ATOM 893 N ASP A 58 -11.461 0.239 -5.249 1.00 0.00 N ATOM 894 CA ASP A 58 -12.194 -0.382 -6.361 1.00 0.00 C ATOM 895 C ASP A 58 -12.385 -1.909 -6.202 1.00 0.00 C ATOM 896 O ASP A 58 -13.195 -2.501 -6.915 1.00 0.00 O ATOM 897 CB ASP A 58 -11.459 -0.073 -7.693 1.00 0.00 C ATOM 898 CG ASP A 58 -9.982 -0.457 -7.687 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.648 -1.508 -7.165 1.00 0.00 O ATOM 900 OD2 ASP A 58 -9.127 0.308 -8.167 1.00 0.00 O ATOM 0 H ASP A 58 -10.453 0.294 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.195 0.049 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.959 -0.603 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.547 0.992 -7.906 1.00 0.00 H new ATOM 905 N GLY A 59 -11.673 -2.515 -5.247 1.00 0.00 N ATOM 906 CA GLY A 59 -11.731 -3.956 -5.020 1.00 0.00 C ATOM 907 C GLY A 59 -11.073 -4.798 -6.121 1.00 0.00 C ATOM 908 O GLY A 59 -11.726 -5.662 -6.711 1.00 0.00 O ATOM 0 H GLY A 59 -11.044 -2.020 -4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.248 -4.182 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.775 -4.255 -4.926 1.00 0.00 H new ATOM 912 N ASP A 60 -9.789 -4.551 -6.405 1.00 0.00 N ATOM 913 CA ASP A 60 -9.044 -5.377 -7.373 1.00 0.00 C ATOM 914 C ASP A 60 -7.892 -6.152 -6.720 1.00 0.00 C ATOM 915 O ASP A 60 -7.363 -7.092 -7.312 1.00 0.00 O ATOM 916 CB ASP A 60 -8.491 -4.526 -8.554 1.00 0.00 C ATOM 917 CG ASP A 60 -7.618 -3.339 -8.145 1.00 0.00 C ATOM 918 OD1 ASP A 60 -7.135 -3.302 -7.023 1.00 0.00 O ATOM 919 OD2 ASP A 60 -7.457 -2.391 -8.928 1.00 0.00 O ATOM 0 H ASP A 60 -9.246 -3.796 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.764 -6.098 -7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.910 -5.176 -9.209 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.332 -4.154 -9.139 1.00 0.00 H new ATOM 924 N GLY A 61 -7.516 -5.760 -5.499 1.00 0.00 N ATOM 925 CA GLY A 61 -6.408 -6.403 -4.808 1.00 0.00 C ATOM 926 C GLY A 61 -5.094 -5.613 -4.845 1.00 0.00 C ATOM 927 O GLY A 61 -4.183 -5.904 -4.075 1.00 0.00 O ATOM 0 H GLY A 61 -7.962 -5.006 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.690 -6.567 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.240 -7.385 -5.251 1.00 0.00 H new ATOM 931 N GLN A 62 -4.982 -4.626 -5.743 1.00 0.00 N ATOM 932 CA GLN A 62 -3.758 -3.825 -5.872 1.00 0.00 C ATOM 933 C GLN A 62 -4.074 -2.339 -5.760 1.00 0.00 C ATOM 934 O GLN A 62 -4.952 -1.799 -6.451 1.00 0.00 O ATOM 935 CB GLN A 62 -3.033 -4.041 -7.193 1.00 0.00 C ATOM 936 CG GLN A 62 -2.800 -5.496 -7.588 1.00 0.00 C ATOM 937 CD GLN A 62 -2.110 -5.663 -8.937 1.00 0.00 C ATOM 938 OE1 GLN A 62 -2.388 -4.778 -9.881 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -1.353 -6.611 -9.138 1.00 0.00 N flip ATOM 0 H GLN A 62 -5.724 -4.363 -6.391 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.110 -4.156 -5.061 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.605 -3.556 -7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.067 -3.538 -7.143 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.197 -5.980 -6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.759 -6.014 -7.614 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.159 -7.276 -8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.919 -6.732 -10.053 1.00 0.00 H new ATOM 948 N VAL A 63 -3.269 -1.687 -4.968 1.00 0.00 N ATOM 949 CA VAL A 63 -3.515 -0.338 -4.514 1.00 0.00 C ATOM 950 C VAL A 63 -2.735 0.622 -5.391 1.00 0.00 C ATOM 951 O VAL A 63 -1.505 0.652 -5.355 1.00 0.00 O ATOM 952 CB VAL A 63 -3.097 -0.181 -3.019 1.00 0.00 C ATOM 953 CG1 VAL A 63 -3.371 1.218 -2.497 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.813 -1.202 -2.142 1.00 0.00 C ATOM 0 H VAL A 63 -2.401 -2.085 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.579 -0.114 -4.587 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.022 -0.358 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.065 1.283 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.809 1.943 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.436 1.434 -2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.504 -1.071 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.890 -1.057 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.557 -2.209 -2.473 1.00 0.00 H new ATOM 964 N ASN A 64 -3.454 1.385 -6.204 1.00 0.00 N ATOM 965 CA ASN A 64 -2.830 2.346 -7.113 1.00 0.00 C ATOM 966 C ASN A 64 -2.427 3.601 -6.333 1.00 0.00 C ATOM 967 O ASN A 64 -2.560 3.651 -5.103 1.00 0.00 O ATOM 968 CB ASN A 64 -3.773 2.798 -8.247 1.00 0.00 C ATOM 969 CG ASN A 64 -4.848 1.816 -8.695 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.678 0.600 -8.695 1.00 0.00 O ATOM 971 ND2 ASN A 64 -5.991 2.362 -9.076 1.00 0.00 N ATOM 0 H ASN A 64 -4.472 1.359 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.970 1.841 -7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.266 3.717 -7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.162 3.048 -9.114 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.763 1.769 -9.381 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.101 3.376 -9.065 1.00 0.00 H new ATOM 978 N TYR A 65 -1.962 4.625 -7.056 1.00 0.00 N ATOM 979 CA TYR A 65 -1.602 5.914 -6.458 1.00 0.00 C ATOM 980 C TYR A 65 -2.802 6.549 -5.744 1.00 0.00 C ATOM 981 O TYR A 65 -2.716 6.855 -4.562 1.00 0.00 O ATOM 982 CB TYR A 65 -1.033 6.857 -7.540 1.00 0.00 C ATOM 983 CG TYR A 65 -0.972 8.318 -7.135 1.00 0.00 C ATOM 984 CD1 TYR A 65 -0.066 8.771 -6.186 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.855 9.237 -7.694 1.00 0.00 C ATOM 986 CE1 TYR A 65 -0.050 10.095 -5.802 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.835 10.562 -7.321 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.937 10.984 -6.373 1.00 0.00 C ATOM 989 OH TYR A 65 -0.940 12.298 -5.980 1.00 0.00 O ATOM 0 H TYR A 65 -1.825 4.584 -8.066 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.831 5.744 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.029 6.524 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.643 6.768 -8.439 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.634 8.078 -5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.569 8.905 -8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.654 10.435 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.521 11.264 -7.771 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.552 12.372 -5.083 1.00 0.00 H new ATOM 999 N GLU A 66 -3.921 6.675 -6.465 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.135 7.338 -5.963 1.00 0.00 C ATOM 1001 C GLU A 66 -5.759 6.610 -4.761 1.00 0.00 C ATOM 1002 O GLU A 66 -6.349 7.242 -3.886 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.155 7.468 -7.101 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.480 6.157 -7.812 1.00 0.00 C ATOM 1005 CD GLU A 66 -7.402 6.353 -8.992 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -6.918 6.785 -10.054 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -8.608 6.068 -8.862 1.00 0.00 O ATOM 0 H GLU A 66 -4.013 6.320 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.845 8.327 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.077 7.887 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.774 8.179 -7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.554 5.692 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.942 5.468 -7.104 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.576 5.293 -4.713 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.113 4.455 -3.649 1.00 0.00 C ATOM 1016 C GLU A 67 -5.292 4.602 -2.368 1.00 0.00 C ATOM 1017 O GLU A 67 -5.838 4.612 -1.261 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.147 3.010 -4.136 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.207 2.787 -5.200 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.331 1.350 -5.610 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.400 0.795 -6.202 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.379 0.756 -5.361 1.00 0.00 O ATOM 0 H GLU A 67 -5.048 4.776 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.127 4.772 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.170 2.741 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.338 2.348 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.169 3.137 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.967 3.390 -6.076 1.00 0.00 H new ATOM 1029 N PHE A 68 -3.981 4.770 -2.538 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.064 4.959 -1.421 1.00 0.00 C ATOM 1031 C PHE A 68 -3.240 6.349 -0.796 1.00 0.00 C ATOM 1032 O PHE A 68 -3.118 6.493 0.412 1.00 0.00 O ATOM 1033 CB PHE A 68 -1.619 4.750 -1.896 1.00 0.00 C ATOM 1034 CG PHE A 68 -0.593 4.721 -0.793 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -0.620 3.727 0.174 1.00 0.00 C ATOM 1036 CD2 PHE A 68 0.404 5.681 -0.731 1.00 0.00 C ATOM 1037 CE1 PHE A 68 0.326 3.694 1.179 1.00 0.00 C ATOM 1038 CE2 PHE A 68 1.351 5.652 0.275 1.00 0.00 C ATOM 1039 CZ PHE A 68 1.311 4.658 1.229 1.00 0.00 C ATOM 0 H PHE A 68 -3.528 4.779 -3.452 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.291 4.222 -0.651 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.565 3.812 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.361 5.547 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.390 2.970 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.442 6.461 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.295 2.914 1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.122 6.408 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.051 4.634 2.015 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.580 7.348 -1.623 1.00 0.00 N ATOM 1050 CA VAL A 69 -3.760 8.733 -1.163 1.00 0.00 C ATOM 1051 C VAL A 69 -4.975 8.851 -0.240 1.00 0.00 C ATOM 1052 O VAL A 69 -4.910 9.539 0.772 1.00 0.00 O ATOM 1053 CB VAL A 69 -3.873 9.738 -2.355 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.081 11.169 -1.886 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.636 9.690 -3.226 1.00 0.00 C ATOM 0 H VAL A 69 -3.737 7.221 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.868 8.999 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.746 9.429 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.153 11.828 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.001 11.231 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.238 11.475 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.742 10.399 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.761 9.952 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.513 8.684 -3.628 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.046 8.124 -0.557 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.268 8.150 0.255 1.00 0.00 C ATOM 1067 C GLN A 70 -7.056 7.509 1.627 1.00 0.00 C ATOM 1068 O GLN A 70 -7.640 7.946 2.608 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.415 7.445 -0.466 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.772 8.062 -1.812 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.123 9.539 -1.753 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -9.690 10.029 -0.780 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -8.766 10.260 -2.798 1.00 0.00 N ATOM 0 H GLN A 70 -6.095 7.509 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 70 -7.525 9.199 0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.148 6.399 -0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.297 7.460 0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.932 7.928 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.616 7.517 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.297 9.816 -3.587 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.959 11.261 -2.817 1.00 0.00 H new ATOM 1082 N HIS A 71 -6.194 6.493 1.687 1.00 0.00 N ATOM 1083 CA HIS A 71 -5.889 5.809 2.944 1.00 0.00 C ATOM 1084 C HIS A 71 -4.852 6.596 3.776 1.00 0.00 C ATOM 1085 O HIS A 71 -4.741 6.395 4.979 1.00 0.00 O ATOM 1086 CB HIS A 71 -5.397 4.378 2.648 1.00 0.00 C ATOM 1087 CG HIS A 71 -5.255 3.498 3.864 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -6.324 2.928 4.511 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -4.157 3.122 4.558 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -5.894 2.238 5.549 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -4.581 2.340 5.602 1.00 0.00 N ATOM 0 H HIS A 71 -5.694 6.125 0.878 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.799 5.752 3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.092 3.906 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.432 4.437 2.144 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -7.300 3.024 4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -3.135 3.388 4.332 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.513 1.683 6.239 1.00 0.00 H new ATOM 1100 N MET A 72 -4.101 7.482 3.133 1.00 0.00 N ATOM 1101 CA MET A 72 -3.076 8.270 3.822 1.00 0.00 C ATOM 1102 C MET A 72 -3.641 9.578 4.373 1.00 0.00 C ATOM 1103 O MET A 72 -3.129 10.116 5.356 1.00 0.00 O ATOM 1104 CB MET A 72 -1.904 8.547 2.880 1.00 0.00 C ATOM 1105 CG MET A 72 -1.030 7.326 2.629 1.00 0.00 C ATOM 1106 SD MET A 72 -0.009 6.866 4.042 1.00 0.00 S ATOM 1107 CE MET A 72 1.322 8.055 3.889 1.00 0.00 C ATOM 0 H MET A 72 -4.180 7.676 2.135 1.00 0.00 H new ATOM 0 HA MET A 72 -2.722 7.686 4.671 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.291 8.910 1.928 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.290 9.344 3.300 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.667 6.483 2.362 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.384 7.522 1.773 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.050 7.890 4.683 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.808 7.935 2.921 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.919 9.065 3.970 1.00 0.00 H new ATOM 1117 N THR A 73 -4.700 10.080 3.739 1.00 0.00 N ATOM 1118 CA THR A 73 -5.359 11.304 4.183 1.00 0.00 C ATOM 1119 C THR A 73 -6.453 10.994 5.205 1.00 0.00 C ATOM 1120 O THR A 73 -6.661 11.746 6.160 1.00 0.00 O ATOM 1121 CB THR A 73 -5.946 12.087 2.990 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.803 11.241 2.209 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.830 12.634 2.111 1.00 0.00 C ATOM 0 H THR A 73 -5.120 9.654 2.913 1.00 0.00 H new ATOM 0 HA THR A 73 -4.605 11.929 4.662 1.00 0.00 H new ATOM 0 HB THR A 73 -6.529 12.920 3.383 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.257 10.655 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.262 13.183 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.200 13.302 2.697 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.228 11.808 1.731 1.00 0.00 H new