USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 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 155 GLN : amide:sc= -3.22! C(o=-6.2!,f=-12!) USER MOD Set 1.2: A 198 CYS SG : rot 121:sc= -0.0839 USER MOD Set 1.3: A 218 CYS SG : rot 162:sc= -2.85! USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot -153:sc= -2.22! USER MOD Single : A 169 TYR OH : rot -43:sc= -1.85! USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot -128:sc= -2.02! USER MOD Single : A 186 THR OG1 : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 193 ASN : amide:sc= -4.73! C(o=-4.7!,f=-5.2!) USER MOD Single : A 195 ASN :FLIP amide:sc= -3.67! C(o=-4.4!,f=-3.7!) USER MOD Single : A 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= -0.088 USER MOD Single : A 214 MET CE :methyl -156:sc= -0.387 (180deg=-0.934) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -0.0529 K(o=-0.053,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -12.311 7.137 6.979 1.00 0.00 N ATOM 16 CA SER A 149 -12.112 5.748 7.357 1.00 0.00 C ATOM 17 C SER A 149 -10.955 5.148 6.557 1.00 0.00 C ATOM 18 O SER A 149 -11.175 4.439 5.578 1.00 0.00 O ATOM 19 CB SER A 149 -13.387 4.930 7.141 1.00 0.00 C ATOM 20 OG SER A 149 -13.357 3.697 7.853 1.00 0.00 O ATOM 0 HA SER A 149 -11.867 5.715 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 149 -14.250 5.513 7.462 1.00 0.00 H new ATOM 0 HB3 SER A 149 -13.514 4.731 6.077 1.00 0.00 H new ATOM 0 HG SER A 149 -14.189 3.205 7.690 1.00 0.00 H new ATOM 26 N ILE A 150 -9.746 5.458 7.004 1.00 0.00 N ATOM 27 CA ILE A 150 -8.553 4.958 6.341 1.00 0.00 C ATOM 28 C ILE A 150 -8.315 3.504 6.757 1.00 0.00 C ATOM 29 O ILE A 150 -7.558 2.785 6.108 1.00 0.00 O ATOM 30 CB ILE A 150 -7.362 5.879 6.614 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.761 7.348 6.462 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.171 5.512 5.728 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.875 7.735 4.986 1.00 0.00 C ATOM 0 H ILE A 150 -9.567 6.048 7.816 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.688 4.963 5.259 1.00 0.00 H new ATOM 0 HB ILE A 150 -7.048 5.736 7.648 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.713 7.524 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -7.022 7.982 6.952 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.338 6.182 5.942 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.871 4.484 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.454 5.608 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.160 8.784 4.906 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.914 7.581 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.632 7.116 4.505 1.00 0.00 H new ATOM 45 N LEU A 151 -8.975 3.116 7.839 1.00 0.00 N ATOM 46 CA LEU A 151 -8.844 1.763 8.350 1.00 0.00 C ATOM 47 C LEU A 151 -9.483 0.785 7.362 1.00 0.00 C ATOM 48 O LEU A 151 -9.084 -0.377 7.285 1.00 0.00 O ATOM 49 CB LEU A 151 -9.414 1.667 9.766 1.00 0.00 C ATOM 50 CG LEU A 151 -10.752 2.371 9.999 1.00 0.00 C ATOM 51 CD1 LEU A 151 -11.791 1.401 10.564 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.576 3.603 10.890 1.00 0.00 C ATOM 0 H LEU A 151 -9.602 3.716 8.375 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.793 1.489 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -9.532 0.613 10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.682 2.081 10.460 1.00 0.00 H new ATOM 0 HG LEU A 151 -11.126 2.720 9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -12.733 1.927 10.720 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -11.945 0.583 9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -11.437 1.001 11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.542 4.085 11.040 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.169 3.299 11.854 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.892 4.303 10.411 1.00 0.00 H new ATOM 64 N ASP A 152 -10.464 1.291 6.629 1.00 0.00 N ATOM 65 CA ASP A 152 -11.164 0.477 5.649 1.00 0.00 C ATOM 66 C ASP A 152 -10.279 0.304 4.413 1.00 0.00 C ATOM 67 O ASP A 152 -10.615 -0.458 3.508 1.00 0.00 O ATOM 68 CB ASP A 152 -12.467 1.145 5.208 1.00 0.00 C ATOM 69 CG ASP A 152 -13.255 0.382 4.141 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.660 -0.772 4.349 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.454 1.030 3.042 1.00 0.00 O ATOM 0 H ASP A 152 -10.791 2.255 6.694 1.00 0.00 H new ATOM 0 HA ASP A 152 -11.390 -0.485 6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -13.104 1.278 6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.237 2.140 4.827 1.00 0.00 H new ATOM 77 N ILE A 153 -9.166 1.022 4.416 1.00 0.00 N ATOM 78 CA ILE A 153 -8.231 0.957 3.306 1.00 0.00 C ATOM 79 C ILE A 153 -7.147 -0.079 3.616 1.00 0.00 C ATOM 80 O ILE A 153 -6.181 0.219 4.317 1.00 0.00 O ATOM 81 CB ILE A 153 -7.678 2.349 2.990 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.774 3.261 2.435 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.476 2.259 2.048 1.00 0.00 C ATOM 84 CD1 ILE A 153 -9.753 3.674 3.536 1.00 0.00 C ATOM 0 H ILE A 153 -8.891 1.652 5.170 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.738 0.626 2.400 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.327 2.797 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.323 4.149 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.312 2.746 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.102 3.261 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.689 1.668 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.779 1.783 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.522 4.322 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.220 2.785 3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.216 4.210 4.318 1.00 0.00 H new ATOM 96 N ARG A 154 -7.347 -1.274 3.082 1.00 0.00 N ATOM 97 CA ARG A 154 -6.399 -2.355 3.294 1.00 0.00 C ATOM 98 C ARG A 154 -5.996 -2.977 1.955 1.00 0.00 C ATOM 99 O ARG A 154 -6.675 -2.788 0.948 1.00 0.00 O ATOM 100 CB ARG A 154 -6.994 -3.440 4.193 1.00 0.00 C ATOM 101 CG ARG A 154 -5.956 -3.956 5.190 1.00 0.00 C ATOM 102 CD ARG A 154 -6.418 -5.265 5.837 1.00 0.00 C ATOM 103 NE ARG A 154 -5.711 -5.473 7.119 1.00 0.00 N ATOM 104 CZ ARG A 154 -6.070 -6.391 8.042 1.00 0.00 C ATOM 105 NH1 ARG A 154 -7.133 -7.194 7.829 1.00 0.00 N ATOM 106 NH2 ARG A 154 -5.366 -6.490 9.154 1.00 0.00 N ATOM 0 H ARG A 154 -8.151 -1.518 2.503 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.520 -1.935 3.783 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -7.853 -3.040 4.731 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.357 -4.266 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -5.005 -4.114 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -5.784 -3.206 5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.494 -5.236 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -6.223 -6.101 5.165 1.00 0.00 H new ATOM 0 HE ARG A 154 -4.901 -4.886 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -7.671 -7.110 6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -7.399 -7.885 8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -4.564 -5.878 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -5.624 -7.178 9.861 1.00 0.00 H new ATOM 120 N GLN A 155 -4.889 -3.705 1.987 1.00 0.00 N ATOM 121 CA GLN A 155 -4.387 -4.355 0.789 1.00 0.00 C ATOM 122 C GLN A 155 -4.746 -5.842 0.801 1.00 0.00 C ATOM 123 O GLN A 155 -4.014 -6.658 1.360 1.00 0.00 O ATOM 124 CB GLN A 155 -2.876 -4.158 0.652 1.00 0.00 C ATOM 125 CG GLN A 155 -2.329 -4.929 -0.551 1.00 0.00 C ATOM 126 CD GLN A 155 -0.937 -5.493 -0.256 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.302 -5.163 0.732 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.500 -6.360 -1.166 1.00 0.00 N ATOM 0 H GLN A 155 -4.326 -3.859 2.824 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.862 -3.894 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.653 -3.097 0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.378 -4.495 1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -3.008 -5.743 -0.805 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.282 -4.270 -1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.083 -6.592 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.418 -6.792 -1.059 1.00 0.00 H new ATOM 196 N PRO A 160 -5.747 -5.682 -6.003 1.00 0.00 N ATOM 197 CA PRO A 160 -4.514 -5.120 -6.525 1.00 0.00 C ATOM 198 C PRO A 160 -4.049 -3.933 -5.677 1.00 0.00 C ATOM 199 O PRO A 160 -4.871 -3.172 -5.166 1.00 0.00 O ATOM 200 CB PRO A 160 -4.832 -4.735 -7.961 1.00 0.00 C ATOM 201 CG PRO A 160 -6.349 -4.665 -8.046 1.00 0.00 C ATOM 202 CD PRO A 160 -6.918 -5.335 -6.805 1.00 0.00 C ATOM 0 HA PRO A 160 -3.684 -5.826 -6.491 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.382 -3.776 -8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.435 -5.471 -8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.680 -3.628 -8.106 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.704 -5.166 -8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.585 -4.664 -6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.498 -6.221 -7.064 1.00 0.00 H new ATOM 210 N PHE A 161 -2.736 -3.813 -5.553 1.00 0.00 N ATOM 211 CA PHE A 161 -2.154 -2.732 -4.777 1.00 0.00 C ATOM 212 C PHE A 161 -2.652 -1.372 -5.269 1.00 0.00 C ATOM 213 O PHE A 161 -2.776 -0.431 -4.486 1.00 0.00 O ATOM 214 CB PHE A 161 -0.638 -2.809 -4.970 1.00 0.00 C ATOM 215 CG PHE A 161 0.152 -1.859 -4.068 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.056 -1.968 -2.715 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.953 -0.906 -4.619 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.791 -1.085 -1.879 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.687 -0.025 -3.781 1.00 0.00 C ATOM 220 CZ PHE A 161 1.590 -0.133 -2.429 1.00 0.00 C ATOM 0 H PHE A 161 -2.058 -4.447 -5.977 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.436 -2.833 -3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.309 -3.831 -4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.403 -2.586 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.578 -2.725 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.030 -0.820 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.715 -1.170 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.323 0.731 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.148 0.538 -1.792 1.00 0.00 H new ATOM 230 N ARG A 162 -2.924 -1.311 -6.565 1.00 0.00 N ATOM 231 CA ARG A 162 -3.406 -0.082 -7.171 1.00 0.00 C ATOM 232 C ARG A 162 -4.750 0.319 -6.561 1.00 0.00 C ATOM 233 O ARG A 162 -4.959 1.484 -6.223 1.00 0.00 O ATOM 234 CB ARG A 162 -3.567 -0.240 -8.684 1.00 0.00 C ATOM 235 CG ARG A 162 -3.134 1.030 -9.418 1.00 0.00 C ATOM 236 CD ARG A 162 -3.712 1.069 -10.834 1.00 0.00 C ATOM 237 NE ARG A 162 -2.672 0.687 -11.815 1.00 0.00 N ATOM 238 CZ ARG A 162 -2.909 0.488 -13.129 1.00 0.00 C ATOM 239 NH1 ARG A 162 -4.153 0.631 -13.631 1.00 0.00 N ATOM 240 NH2 ARG A 162 -1.905 0.148 -13.916 1.00 0.00 N ATOM 0 H ARG A 162 -2.820 -2.093 -7.211 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.668 0.696 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.972 -1.085 -9.030 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.607 -0.464 -8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.466 1.907 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.046 1.075 -9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.561 0.389 -10.908 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.084 2.069 -11.057 1.00 0.00 H new ATOM 0 HE ARG A 162 -1.717 0.567 -11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.924 0.892 -13.016 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.322 0.479 -14.625 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -0.968 0.039 -13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.067 -0.006 -14.911 1.00 0.00 H new ATOM 254 N ASP A 163 -5.626 -0.667 -6.438 1.00 0.00 N ATOM 255 CA ASP A 163 -6.945 -0.431 -5.874 1.00 0.00 C ATOM 256 C ASP A 163 -6.802 -0.029 -4.405 1.00 0.00 C ATOM 257 O ASP A 163 -7.549 0.816 -3.914 1.00 0.00 O ATOM 258 CB ASP A 163 -7.804 -1.694 -5.938 1.00 0.00 C ATOM 259 CG ASP A 163 -8.473 -1.954 -7.289 1.00 0.00 C ATOM 260 OD1 ASP A 163 -8.011 -1.472 -8.334 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.527 -2.698 -7.241 1.00 0.00 O ATOM 0 H ASP A 163 -5.449 -1.631 -6.719 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.423 0.360 -6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.181 -2.552 -5.687 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.578 -1.628 -5.173 1.00 0.00 H new ATOM 267 N TYR A 164 -5.837 -0.653 -3.744 1.00 0.00 N ATOM 268 CA TYR A 164 -5.588 -0.371 -2.340 1.00 0.00 C ATOM 269 C TYR A 164 -5.123 1.075 -2.146 1.00 0.00 C ATOM 270 O TYR A 164 -5.552 1.747 -1.210 1.00 0.00 O ATOM 271 CB TYR A 164 -4.463 -1.316 -1.915 1.00 0.00 C ATOM 272 CG TYR A 164 -3.882 -1.009 -0.533 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.726 -0.800 0.539 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.515 -0.942 -0.357 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.180 -0.512 1.840 1.00 0.00 C ATOM 276 CE2 TYR A 164 -1.969 -0.653 0.943 1.00 0.00 C ATOM 277 CZ TYR A 164 -2.829 -0.452 1.977 1.00 0.00 C ATOM 278 OH TYR A 164 -2.313 -0.180 3.205 1.00 0.00 O ATOM 0 H TYR A 164 -5.219 -1.353 -4.155 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.496 -0.510 -1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.840 -2.339 -1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.663 -1.267 -2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.796 -0.852 0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.854 -1.107 -1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -4.829 -0.347 2.687 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -0.901 -0.597 1.094 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.437 0.247 3.104 1.00 0.00 H new ATOM 288 N VAL A 165 -4.255 1.510 -3.047 1.00 0.00 N ATOM 289 CA VAL A 165 -3.729 2.863 -2.987 1.00 0.00 C ATOM 290 C VAL A 165 -4.854 3.857 -3.286 1.00 0.00 C ATOM 291 O VAL A 165 -4.965 4.888 -2.627 1.00 0.00 O ATOM 292 CB VAL A 165 -2.538 3.005 -3.937 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.301 4.470 -4.305 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.277 2.381 -3.332 1.00 0.00 C ATOM 0 H VAL A 165 -3.903 0.949 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.357 3.084 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.774 2.464 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.449 4.542 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.188 4.870 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.097 5.044 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.445 2.495 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.037 2.882 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.450 1.321 -3.144 1.00 0.00 H new ATOM 304 N ASP A 166 -5.657 3.510 -4.281 1.00 0.00 N ATOM 305 CA ASP A 166 -6.768 4.358 -4.676 1.00 0.00 C ATOM 306 C ASP A 166 -7.688 4.579 -3.473 1.00 0.00 C ATOM 307 O ASP A 166 -8.168 5.689 -3.250 1.00 0.00 O ATOM 308 CB ASP A 166 -7.592 3.706 -5.788 1.00 0.00 C ATOM 309 CG ASP A 166 -8.419 4.677 -6.633 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.278 5.904 -6.520 1.00 0.00 O ATOM 311 OD2 ASP A 166 -9.250 4.119 -7.446 1.00 0.00 O ATOM 0 H ASP A 166 -5.560 2.653 -4.825 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.359 5.302 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.917 3.159 -6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.264 2.974 -5.340 1.00 0.00 H new ATOM 317 N ARG A 167 -7.906 3.504 -2.731 1.00 0.00 N ATOM 318 CA ARG A 167 -8.759 3.565 -1.556 1.00 0.00 C ATOM 319 C ARG A 167 -8.117 4.439 -0.478 1.00 0.00 C ATOM 320 O ARG A 167 -8.786 5.273 0.130 1.00 0.00 O ATOM 321 CB ARG A 167 -9.013 2.169 -0.986 1.00 0.00 C ATOM 322 CG ARG A 167 -10.503 1.949 -0.717 1.00 0.00 C ATOM 323 CD ARG A 167 -10.745 0.604 -0.027 1.00 0.00 C ATOM 324 NE ARG A 167 -12.075 0.076 -0.400 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.496 -1.178 -0.125 1.00 0.00 C ATOM 326 NH1 ARG A 167 -11.691 -2.043 0.528 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.706 -1.544 -0.504 1.00 0.00 N ATOM 0 H ARG A 167 -7.507 2.585 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.711 3.999 -1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.651 1.415 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.450 2.042 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.886 2.756 -0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.055 1.984 -1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -9.969 -0.106 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -10.683 0.724 1.055 1.00 0.00 H new ATOM 0 HE ARG A 167 -12.714 0.697 -0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -10.757 -1.752 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -12.016 -2.988 0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -14.308 -0.884 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -14.040 -2.487 -0.304 1.00 0.00 H new ATOM 341 N PHE A 168 -6.826 4.220 -0.275 1.00 0.00 N ATOM 342 CA PHE A 168 -6.087 4.977 0.721 1.00 0.00 C ATOM 343 C PHE A 168 -6.148 6.476 0.424 1.00 0.00 C ATOM 344 O PHE A 168 -6.418 7.280 1.316 1.00 0.00 O ATOM 345 CB PHE A 168 -4.630 4.513 0.645 1.00 0.00 C ATOM 346 CG PHE A 168 -3.732 5.097 1.736 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.146 6.311 1.558 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.520 4.402 2.886 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.314 6.853 2.572 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.687 4.943 3.901 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.102 6.158 3.721 1.00 0.00 C ATOM 0 H PHE A 168 -6.273 3.530 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.516 4.811 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.602 3.425 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.224 4.785 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.314 6.863 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -3.986 3.438 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.849 7.818 2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.518 4.391 4.814 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.468 6.571 4.492 1.00 0.00 H new ATOM 361 N TYR A 169 -5.889 6.811 -0.831 1.00 0.00 N ATOM 362 CA TYR A 169 -5.910 8.199 -1.257 1.00 0.00 C ATOM 363 C TYR A 169 -7.347 8.703 -1.411 1.00 0.00 C ATOM 364 O TYR A 169 -7.591 9.909 -1.398 1.00 0.00 O ATOM 365 CB TYR A 169 -5.222 8.233 -2.623 1.00 0.00 C ATOM 366 CG TYR A 169 -3.695 8.179 -2.551 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.074 7.194 -1.809 1.00 0.00 C ATOM 368 CD2 TYR A 169 -2.938 9.113 -3.227 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.636 7.142 -1.741 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.500 9.061 -3.160 1.00 0.00 C ATOM 371 CZ TYR A 169 -0.920 8.079 -2.421 1.00 0.00 C ATOM 372 OH TYR A 169 0.438 8.029 -2.357 1.00 0.00 O ATOM 0 H TYR A 169 -5.663 6.143 -1.568 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.412 8.833 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.578 7.392 -3.219 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.519 9.142 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.666 6.462 -1.280 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.424 9.884 -3.807 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.137 6.377 -1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -0.896 9.786 -3.685 1.00 0.00 H new ATOM 0 HH TYR A 169 0.716 7.851 -1.434 1.00 0.00 H new ATOM 382 N LYS A 170 -8.261 7.754 -1.553 1.00 0.00 N ATOM 383 CA LYS A 170 -9.667 8.087 -1.709 1.00 0.00 C ATOM 384 C LYS A 170 -10.219 8.588 -0.374 1.00 0.00 C ATOM 385 O LYS A 170 -10.913 9.604 -0.326 1.00 0.00 O ATOM 386 CB LYS A 170 -10.438 6.898 -2.287 1.00 0.00 C ATOM 387 CG LYS A 170 -10.509 6.979 -3.813 1.00 0.00 C ATOM 388 CD LYS A 170 -10.752 5.598 -4.425 1.00 0.00 C ATOM 389 CE LYS A 170 -12.246 5.264 -4.446 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.491 3.948 -3.817 1.00 0.00 N ATOM 0 H LYS A 170 -8.055 6.755 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.790 8.897 -2.428 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -9.954 5.968 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.446 6.878 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.310 7.657 -4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.580 7.395 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.355 5.571 -5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.215 4.842 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -12.805 6.036 -3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -12.608 5.256 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -13.509 3.737 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.973 3.212 -4.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.163 3.969 -2.830 1.00 0.00 H new ATOM 404 N THR A 171 -9.892 7.854 0.679 1.00 0.00 N ATOM 405 CA THR A 171 -10.347 8.212 2.012 1.00 0.00 C ATOM 406 C THR A 171 -9.536 9.392 2.553 1.00 0.00 C ATOM 407 O THR A 171 -10.059 10.218 3.298 1.00 0.00 O ATOM 408 CB THR A 171 -10.263 6.962 2.891 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.259 6.094 2.355 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.728 7.224 4.325 1.00 0.00 C ATOM 0 H THR A 171 -9.317 7.013 0.636 1.00 0.00 H new ATOM 0 HA THR A 171 -11.383 8.549 2.000 1.00 0.00 H new ATOM 0 HB THR A 171 -9.237 6.594 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 171 -11.848 5.787 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.649 6.306 4.907 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.102 7.994 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.765 7.559 4.316 1.00 0.00 H new ATOM 418 N LEU A 172 -8.273 9.430 2.158 1.00 0.00 N ATOM 419 CA LEU A 172 -7.385 10.495 2.595 1.00 0.00 C ATOM 420 C LEU A 172 -8.006 11.847 2.243 1.00 0.00 C ATOM 421 O LEU A 172 -7.924 12.794 3.023 1.00 0.00 O ATOM 422 CB LEU A 172 -5.982 10.294 2.019 1.00 0.00 C ATOM 423 CG LEU A 172 -5.518 11.338 1.001 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.374 12.713 1.654 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.229 10.894 0.307 1.00 0.00 C ATOM 0 H LEU A 172 -7.843 8.742 1.541 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.266 10.471 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.271 10.280 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -5.942 9.312 1.547 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.283 11.426 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.043 13.437 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.336 13.025 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.640 12.659 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -3.922 11.654 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.443 10.759 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.402 9.952 -0.214 1.00 0.00 H new ATOM 437 N ARG A 173 -8.614 11.896 1.067 1.00 0.00 N ATOM 438 CA ARG A 173 -9.249 13.116 0.602 1.00 0.00 C ATOM 439 C ARG A 173 -10.321 13.570 1.595 1.00 0.00 C ATOM 440 O ARG A 173 -10.700 14.740 1.614 1.00 0.00 O ATOM 441 CB ARG A 173 -9.891 12.915 -0.772 1.00 0.00 C ATOM 442 CG ARG A 173 -8.902 13.244 -1.893 1.00 0.00 C ATOM 443 CD ARG A 173 -9.104 12.316 -3.093 1.00 0.00 C ATOM 444 NE ARG A 173 -10.171 12.847 -3.970 1.00 0.00 N ATOM 445 CZ ARG A 173 -10.377 12.442 -5.241 1.00 0.00 C ATOM 446 NH1 ARG A 173 -9.591 11.494 -5.795 1.00 0.00 N ATOM 447 NH2 ARG A 173 -11.361 12.985 -5.934 1.00 0.00 N ATOM 0 H ARG A 173 -8.680 11.109 0.422 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.476 13.880 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -10.229 11.884 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.772 13.550 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -9.032 14.280 -2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -7.882 13.148 -1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -8.173 12.225 -3.653 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -9.369 11.316 -2.749 1.00 0.00 H new ATOM 0 HE ARG A 173 -10.789 13.564 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.834 11.078 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -9.754 11.194 -6.756 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -11.952 13.699 -5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -11.531 12.691 -6.896 1.00 0.00 H new ATOM 461 N ALA A 174 -10.777 12.620 2.398 1.00 0.00 N ATOM 462 CA ALA A 174 -11.796 12.907 3.393 1.00 0.00 C ATOM 463 C ALA A 174 -11.130 13.131 4.751 1.00 0.00 C ATOM 464 O ALA A 174 -11.795 13.111 5.785 1.00 0.00 O ATOM 465 CB ALA A 174 -12.815 11.765 3.425 1.00 0.00 C ATOM 0 H ALA A 174 -10.459 11.651 2.380 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.335 13.819 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -13.579 11.980 4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.282 11.667 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.310 10.834 3.681 1.00 0.00 H new ATOM 630 N THR A 186 1.527 9.073 6.437 1.00 0.00 N ATOM 631 CA THR A 186 0.756 8.546 5.325 1.00 0.00 C ATOM 632 C THR A 186 1.422 7.288 4.763 1.00 0.00 C ATOM 633 O THR A 186 0.822 6.215 4.753 1.00 0.00 O ATOM 634 CB THR A 186 0.593 9.661 4.291 1.00 0.00 C ATOM 635 OG1 THR A 186 -0.506 10.427 4.776 1.00 0.00 O ATOM 636 CG2 THR A 186 0.114 9.139 2.935 1.00 0.00 C ATOM 0 HA THR A 186 -0.238 8.234 5.646 1.00 0.00 H new ATOM 0 HB THR A 186 1.544 10.179 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 186 -0.679 11.173 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.015 9.972 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.837 8.423 2.544 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.852 8.649 3.054 1.00 0.00 H new ATOM 644 N GLU A 187 2.653 7.463 4.308 1.00 0.00 N ATOM 645 CA GLU A 187 3.409 6.356 3.746 1.00 0.00 C ATOM 646 C GLU A 187 3.446 5.185 4.730 1.00 0.00 C ATOM 647 O GLU A 187 3.205 4.041 4.346 1.00 0.00 O ATOM 648 CB GLU A 187 4.824 6.796 3.363 1.00 0.00 C ATOM 649 CG GLU A 187 5.748 5.588 3.206 1.00 0.00 C ATOM 650 CD GLU A 187 6.258 5.106 4.566 1.00 0.00 C ATOM 651 OE1 GLU A 187 6.016 3.950 4.946 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.928 5.981 5.238 1.00 0.00 O ATOM 0 H GLU A 187 3.147 8.355 4.317 1.00 0.00 H new ATOM 0 HA GLU A 187 2.909 6.025 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.794 7.359 2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 187 5.220 7.465 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.214 4.780 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.593 5.852 2.570 1.00 0.00 H new ATOM 660 N THR A 188 3.749 5.510 5.977 1.00 0.00 N ATOM 661 CA THR A 188 3.820 4.499 7.019 1.00 0.00 C ATOM 662 C THR A 188 2.442 3.877 7.252 1.00 0.00 C ATOM 663 O THR A 188 2.340 2.733 7.691 1.00 0.00 O ATOM 664 CB THR A 188 4.412 5.150 8.270 1.00 0.00 C ATOM 665 OG1 THR A 188 5.682 4.522 8.419 1.00 0.00 O ATOM 666 CG2 THR A 188 3.655 4.768 9.543 1.00 0.00 C ATOM 0 H THR A 188 3.949 6.460 6.291 1.00 0.00 H new ATOM 0 HA THR A 188 4.470 3.674 6.726 1.00 0.00 H new ATOM 0 HB THR A 188 4.403 6.234 8.155 1.00 0.00 H new ATOM 0 HG1 THR A 188 6.137 4.886 9.207 1.00 0.00 H new ATOM 0 HG21 THR A 188 4.116 5.257 10.401 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.616 5.087 9.458 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.692 3.687 9.678 1.00 0.00 H new ATOM 674 N LEU A 189 1.415 4.658 6.949 1.00 0.00 N ATOM 675 CA LEU A 189 0.048 4.198 7.120 1.00 0.00 C ATOM 676 C LEU A 189 -0.277 3.165 6.039 1.00 0.00 C ATOM 677 O LEU A 189 -0.828 2.104 6.334 1.00 0.00 O ATOM 678 CB LEU A 189 -0.918 5.384 7.146 1.00 0.00 C ATOM 679 CG LEU A 189 -1.448 5.786 8.524 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.266 7.076 8.441 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.244 4.643 9.161 1.00 0.00 C ATOM 0 H LEU A 189 1.503 5.607 6.586 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.068 3.701 8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.416 6.246 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -1.768 5.149 6.506 1.00 0.00 H new ATOM 0 HG LEU A 189 -0.595 5.986 9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -2.631 7.340 9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -1.638 7.881 8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.113 6.928 7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.609 4.955 10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.090 4.388 8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.600 3.771 9.275 1.00 0.00 H new ATOM 693 N LEU A 190 0.077 3.510 4.810 1.00 0.00 N ATOM 694 CA LEU A 190 -0.169 2.624 3.684 1.00 0.00 C ATOM 695 C LEU A 190 0.551 1.296 3.916 1.00 0.00 C ATOM 696 O LEU A 190 -0.017 0.229 3.692 1.00 0.00 O ATOM 697 CB LEU A 190 0.213 3.310 2.371 1.00 0.00 C ATOM 698 CG LEU A 190 0.068 2.463 1.104 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.215 2.818 0.352 1.00 0.00 C ATOM 700 CD2 LEU A 190 1.307 2.588 0.217 1.00 0.00 C ATOM 0 H LEU A 190 0.532 4.390 4.569 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.232 2.398 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.401 4.204 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 190 1.248 3.642 2.446 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.012 1.417 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.294 2.202 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.076 2.635 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.191 3.870 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 190 1.178 1.977 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.443 3.630 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 190 2.184 2.247 0.767 1.00 0.00 H new ATOM 712 N VAL A 191 1.794 1.404 4.365 1.00 0.00 N ATOM 713 CA VAL A 191 2.598 0.223 4.631 1.00 0.00 C ATOM 714 C VAL A 191 2.027 -0.515 5.842 1.00 0.00 C ATOM 715 O VAL A 191 1.897 -1.739 5.824 1.00 0.00 O ATOM 716 CB VAL A 191 4.065 0.620 4.809 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.935 -0.609 5.081 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.575 1.395 3.592 1.00 0.00 C ATOM 0 H VAL A 191 2.263 2.290 4.551 1.00 0.00 H new ATOM 0 HA VAL A 191 2.561 -0.464 3.786 1.00 0.00 H new ATOM 0 HB VAL A 191 4.132 1.277 5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.973 -0.300 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.593 -1.103 5.991 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.859 -1.301 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.620 1.665 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.487 0.773 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.982 2.300 3.462 1.00 0.00 H new ATOM 728 N GLN A 192 1.702 0.259 6.869 1.00 0.00 N ATOM 729 CA GLN A 192 1.147 -0.307 8.085 1.00 0.00 C ATOM 730 C GLN A 192 -0.224 -0.926 7.808 1.00 0.00 C ATOM 731 O GLN A 192 -0.564 -1.968 8.367 1.00 0.00 O ATOM 732 CB GLN A 192 1.059 0.748 9.190 1.00 0.00 C ATOM 733 CG GLN A 192 0.642 0.117 10.520 1.00 0.00 C ATOM 734 CD GLN A 192 0.554 1.172 11.623 1.00 0.00 C ATOM 735 OE1 GLN A 192 -0.488 1.750 11.885 1.00 0.00 O ATOM 736 NE2 GLN A 192 1.704 1.391 12.256 1.00 0.00 N ATOM 0 H GLN A 192 1.813 1.273 6.882 1.00 0.00 H new ATOM 0 HA GLN A 192 1.815 -1.095 8.432 1.00 0.00 H new ATOM 0 HB2 GLN A 192 2.024 1.241 9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.340 1.517 8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 192 -0.323 -0.376 10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.361 -0.652 10.803 1.00 0.00 H new ATOM 0 HE21 GLN A 192 2.541 0.873 11.988 1.00 0.00 H new ATOM 0 HE22 GLN A 192 1.749 2.077 13.010 1.00 0.00 H new ATOM 745 N ASN A 193 -0.974 -0.258 6.944 1.00 0.00 N ATOM 746 CA ASN A 193 -2.302 -0.730 6.585 1.00 0.00 C ATOM 747 C ASN A 193 -2.191 -1.698 5.406 1.00 0.00 C ATOM 748 O ASN A 193 -3.204 -2.128 4.854 1.00 0.00 O ATOM 749 CB ASN A 193 -3.202 0.431 6.161 1.00 0.00 C ATOM 750 CG ASN A 193 -4.675 0.102 6.410 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.074 -1.048 6.503 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.460 1.170 6.511 1.00 0.00 N ATOM 0 H ASN A 193 -0.688 0.605 6.482 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.734 -1.221 7.457 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -2.928 1.329 6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.048 0.648 5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.460 1.054 6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.062 2.105 6.424 1.00 0.00 H new ATOM 759 N ALA A 194 -0.955 -2.013 5.052 1.00 0.00 N ATOM 760 CA ALA A 194 -0.700 -2.922 3.947 1.00 0.00 C ATOM 761 C ALA A 194 -0.473 -4.332 4.495 1.00 0.00 C ATOM 762 O ALA A 194 -0.134 -4.501 5.667 1.00 0.00 O ATOM 763 CB ALA A 194 0.492 -2.415 3.133 1.00 0.00 C ATOM 0 H ALA A 194 -0.117 -1.655 5.511 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.559 -2.962 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.683 -3.097 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.270 -1.422 2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.374 -2.364 3.772 1.00 0.00 H new ATOM 769 N ASN A 195 -0.669 -5.311 3.623 1.00 0.00 N ATOM 770 CA ASN A 195 -0.489 -6.700 4.005 1.00 0.00 C ATOM 771 C ASN A 195 0.858 -6.863 4.711 1.00 0.00 C ATOM 772 O ASN A 195 1.633 -5.911 4.802 1.00 0.00 O ATOM 773 CB ASN A 195 -0.493 -7.614 2.778 1.00 0.00 C ATOM 774 CG ASN A 195 -1.652 -8.611 2.839 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.808 -8.073 3.221 1.00 0.00 O flip ATOM 776 ND2 ASN A 195 -1.506 -9.789 2.559 1.00 0.00 N flip ATOM 0 H ASN A 195 -0.951 -5.169 2.653 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.312 -6.976 4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.574 -7.012 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.452 -8.153 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -0.590 -10.136 2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -2.300 -10.428 2.611 1.00 0.00 H new ATOM 783 N PRO A 196 1.105 -8.105 5.205 1.00 0.00 N ATOM 784 CA PRO A 196 2.345 -8.403 5.899 1.00 0.00 C ATOM 785 C PRO A 196 3.509 -8.526 4.914 1.00 0.00 C ATOM 786 O PRO A 196 4.538 -7.871 5.075 1.00 0.00 O ATOM 787 CB PRO A 196 2.071 -9.690 6.660 1.00 0.00 C ATOM 788 CG PRO A 196 0.852 -10.312 6.002 1.00 0.00 C ATOM 789 CD PRO A 196 0.210 -9.256 5.116 1.00 0.00 C ATOM 0 HA PRO A 196 2.646 -7.609 6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.927 -10.363 6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.885 -9.488 7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.139 -11.182 5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.146 -10.658 6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.115 -9.606 4.088 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.793 -9.006 5.461 1.00 0.00 H new ATOM 797 N ASP A 197 3.308 -9.373 3.914 1.00 0.00 N ATOM 798 CA ASP A 197 4.327 -9.592 2.902 1.00 0.00 C ATOM 799 C ASP A 197 4.783 -8.241 2.344 1.00 0.00 C ATOM 800 O ASP A 197 5.975 -7.934 2.347 1.00 0.00 O ATOM 801 CB ASP A 197 3.782 -10.424 1.741 1.00 0.00 C ATOM 802 CG ASP A 197 2.917 -11.617 2.150 1.00 0.00 C ATOM 803 OD1 ASP A 197 1.760 -11.456 2.565 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.484 -12.769 2.028 1.00 0.00 O ATOM 0 H ASP A 197 2.454 -9.916 3.784 1.00 0.00 H new ATOM 0 HA ASP A 197 5.156 -10.125 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.195 -9.774 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.622 -10.789 1.150 1.00 0.00 H new ATOM 810 N CYS A 198 3.812 -7.472 1.878 1.00 0.00 N ATOM 811 CA CYS A 198 4.099 -6.162 1.318 1.00 0.00 C ATOM 812 C CYS A 198 4.884 -5.356 2.355 1.00 0.00 C ATOM 813 O CYS A 198 5.786 -4.598 2.004 1.00 0.00 O ATOM 814 CB CYS A 198 2.820 -5.441 0.883 1.00 0.00 C ATOM 815 SG CYS A 198 3.244 -3.969 -0.119 1.00 0.00 S ATOM 0 H CYS A 198 2.825 -7.730 1.876 1.00 0.00 H new ATOM 0 HA CYS A 198 4.701 -6.273 0.416 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.190 -6.117 0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.245 -5.142 1.759 1.00 0.00 H new ATOM 0 HG CYS A 198 2.696 -4.071 -1.294 1.00 0.00 H new ATOM 821 N LYS A 199 4.510 -5.548 3.612 1.00 0.00 N ATOM 822 CA LYS A 199 5.168 -4.850 4.703 1.00 0.00 C ATOM 823 C LYS A 199 6.662 -5.177 4.685 1.00 0.00 C ATOM 824 O LYS A 199 7.497 -4.286 4.831 1.00 0.00 O ATOM 825 CB LYS A 199 4.485 -5.169 6.033 1.00 0.00 C ATOM 826 CG LYS A 199 4.829 -4.121 7.093 1.00 0.00 C ATOM 827 CD LYS A 199 3.659 -3.911 8.057 1.00 0.00 C ATOM 828 CE LYS A 199 3.596 -5.033 9.095 1.00 0.00 C ATOM 829 NZ LYS A 199 2.224 -5.169 9.630 1.00 0.00 N ATOM 0 H LYS A 199 3.760 -6.177 3.899 1.00 0.00 H new ATOM 0 HA LYS A 199 5.076 -3.771 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.405 -5.207 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.796 -6.155 6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.711 -4.438 7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.080 -3.177 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.766 -2.950 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 199 2.724 -3.875 7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 199 3.911 -5.973 8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.290 -4.823 9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 2.200 -5.935 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 1.937 -4.277 10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 1.569 -5.391 8.853 1.00 0.00 H new ATOM 843 N THR A 200 6.953 -6.456 4.505 1.00 0.00 N ATOM 844 CA THR A 200 8.333 -6.912 4.465 1.00 0.00 C ATOM 845 C THR A 200 9.054 -6.322 3.252 1.00 0.00 C ATOM 846 O THR A 200 10.206 -5.900 3.355 1.00 0.00 O ATOM 847 CB THR A 200 8.326 -8.442 4.483 1.00 0.00 C ATOM 848 OG1 THR A 200 7.710 -8.772 5.725 1.00 0.00 O ATOM 849 CG2 THR A 200 9.733 -9.032 4.596 1.00 0.00 C ATOM 0 H THR A 200 6.257 -7.192 4.385 1.00 0.00 H new ATOM 0 HA THR A 200 8.890 -6.565 5.335 1.00 0.00 H new ATOM 0 HB THR A 200 7.848 -8.814 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.663 -9.746 5.818 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.672 -10.120 4.605 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.332 -8.709 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.199 -8.688 5.519 1.00 0.00 H new ATOM 857 N ILE A 201 8.350 -6.311 2.131 1.00 0.00 N ATOM 858 CA ILE A 201 8.909 -5.779 0.901 1.00 0.00 C ATOM 859 C ILE A 201 9.159 -4.278 1.065 1.00 0.00 C ATOM 860 O ILE A 201 10.127 -3.744 0.527 1.00 0.00 O ATOM 861 CB ILE A 201 8.013 -6.127 -0.290 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.360 -7.498 -0.103 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.788 -6.036 -1.606 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.303 -8.263 -1.427 1.00 0.00 C ATOM 0 H ILE A 201 7.396 -6.662 2.049 1.00 0.00 H new ATOM 0 HA ILE A 201 9.873 -6.241 0.691 1.00 0.00 H new ATOM 0 HB ILE A 201 7.210 -5.392 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.922 -8.075 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.352 -7.374 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.127 -6.288 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.164 -5.021 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.625 -6.733 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.834 -9.234 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.720 -7.694 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.314 -8.407 -1.808 1.00 0.00 H new ATOM 876 N LEU A 202 8.268 -3.642 1.810 1.00 0.00 N ATOM 877 CA LEU A 202 8.380 -2.213 2.053 1.00 0.00 C ATOM 878 C LEU A 202 9.575 -1.947 2.970 1.00 0.00 C ATOM 879 O LEU A 202 10.260 -0.934 2.825 1.00 0.00 O ATOM 880 CB LEU A 202 7.059 -1.655 2.587 1.00 0.00 C ATOM 881 CG LEU A 202 5.927 -1.520 1.567 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.565 -1.758 2.225 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.989 -0.168 0.854 1.00 0.00 C ATOM 0 H LEU A 202 7.465 -4.089 2.254 1.00 0.00 H new ATOM 0 HA LEU A 202 8.570 -1.682 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.717 -2.299 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.251 -0.673 3.020 1.00 0.00 H new ATOM 0 HG LEU A 202 6.058 -2.291 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 202 3.777 -1.656 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.536 -2.762 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.411 -1.025 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.173 -0.098 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 202 5.897 0.634 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 202 6.942 -0.075 0.332 1.00 0.00 H new ATOM 895 N LYS A 203 9.790 -2.873 3.892 1.00 0.00 N ATOM 896 CA LYS A 203 10.890 -2.751 4.832 1.00 0.00 C ATOM 897 C LYS A 203 12.215 -2.911 4.082 1.00 0.00 C ATOM 898 O LYS A 203 13.205 -2.260 4.419 1.00 0.00 O ATOM 899 CB LYS A 203 10.717 -3.736 5.991 1.00 0.00 C ATOM 900 CG LYS A 203 10.053 -3.057 7.190 1.00 0.00 C ATOM 901 CD LYS A 203 9.769 -4.069 8.304 1.00 0.00 C ATOM 902 CE LYS A 203 8.773 -3.503 9.318 1.00 0.00 C ATOM 903 NZ LYS A 203 8.157 -4.595 10.104 1.00 0.00 N ATOM 0 H LYS A 203 9.221 -3.711 4.008 1.00 0.00 H new ATOM 0 HA LYS A 203 10.896 -1.760 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.112 -4.583 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.689 -4.132 6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.700 -2.265 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.122 -2.585 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.372 -4.988 7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.699 -4.330 8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 203 9.281 -2.808 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.998 -2.938 8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 7.484 -4.194 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.656 -5.243 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 8.898 -5.117 10.614 1.00 0.00 H new ATOM 917 N ALA A 204 12.192 -3.779 3.084 1.00 0.00 N ATOM 918 CA ALA A 204 13.379 -4.033 2.284 1.00 0.00 C ATOM 919 C ALA A 204 13.552 -2.904 1.265 1.00 0.00 C ATOM 920 O ALA A 204 14.671 -2.604 0.850 1.00 0.00 O ATOM 921 CB ALA A 204 13.264 -5.405 1.618 1.00 0.00 C ATOM 0 H ALA A 204 11.370 -4.317 2.809 1.00 0.00 H new ATOM 0 HA ALA A 204 14.269 -4.050 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.154 -5.594 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.172 -6.175 2.384 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.383 -5.425 0.976 1.00 0.00 H new ATOM 927 N LEU A 205 12.429 -2.308 0.892 1.00 0.00 N ATOM 928 CA LEU A 205 12.444 -1.219 -0.070 1.00 0.00 C ATOM 929 C LEU A 205 13.396 -0.126 0.419 1.00 0.00 C ATOM 930 O LEU A 205 14.563 -0.099 0.037 1.00 0.00 O ATOM 931 CB LEU A 205 11.021 -0.723 -0.337 1.00 0.00 C ATOM 932 CG LEU A 205 10.509 -0.896 -1.768 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.150 -2.357 -2.050 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.335 0.045 -2.048 1.00 0.00 C ATOM 0 H LEU A 205 11.503 -2.559 1.238 1.00 0.00 H new ATOM 0 HA LEU A 205 12.823 -1.564 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.342 -1.247 0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.972 0.335 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 205 11.312 -0.623 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.789 -2.452 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.034 -2.981 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.371 -2.680 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 205 8.990 -0.098 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 205 8.521 -0.173 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 205 9.657 1.078 -1.915 1.00 0.00 H new ATOM 946 N GLY A 206 12.859 0.750 1.256 1.00 0.00 N ATOM 947 CA GLY A 206 13.647 1.842 1.801 1.00 0.00 C ATOM 948 C GLY A 206 12.769 2.798 2.613 1.00 0.00 C ATOM 949 O GLY A 206 11.564 2.886 2.385 1.00 0.00 O ATOM 0 H GLY A 206 11.889 0.726 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.439 1.443 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 206 14.131 2.386 0.990 1.00 0.00 H new ATOM 953 N PRO A 207 13.426 3.507 3.570 1.00 0.00 N ATOM 954 CA PRO A 207 12.720 4.453 4.418 1.00 0.00 C ATOM 955 C PRO A 207 12.385 5.733 3.650 1.00 0.00 C ATOM 956 O PRO A 207 12.770 6.827 4.062 1.00 0.00 O ATOM 957 CB PRO A 207 13.648 4.694 5.598 1.00 0.00 C ATOM 958 CG PRO A 207 15.026 4.241 5.142 1.00 0.00 C ATOM 959 CD PRO A 207 14.853 3.429 3.869 1.00 0.00 C ATOM 0 HA PRO A 207 11.756 4.075 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 207 13.656 5.747 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 207 13.322 4.132 6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 207 15.670 5.102 4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 207 15.506 3.641 5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 207 15.451 3.838 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 207 15.172 2.396 4.012 1.00 0.00 H new ATOM 967 N GLY A 208 11.671 5.555 2.549 1.00 0.00 N ATOM 968 CA GLY A 208 11.279 6.682 1.720 1.00 0.00 C ATOM 969 C GLY A 208 11.188 6.274 0.247 1.00 0.00 C ATOM 970 O GLY A 208 11.674 6.988 -0.629 1.00 0.00 O ATOM 0 H GLY A 208 11.353 4.647 2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 208 10.316 7.067 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 208 12.002 7.490 1.833 1.00 0.00 H new ATOM 974 N ALA A 209 10.564 5.129 0.021 1.00 0.00 N ATOM 975 CA ALA A 209 10.402 4.618 -1.330 1.00 0.00 C ATOM 976 C ALA A 209 9.251 5.355 -2.016 1.00 0.00 C ATOM 977 O ALA A 209 8.402 5.946 -1.349 1.00 0.00 O ATOM 978 CB ALA A 209 10.179 3.105 -1.281 1.00 0.00 C ATOM 0 H ALA A 209 10.164 4.539 0.751 1.00 0.00 H new ATOM 0 HA ALA A 209 11.303 4.796 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.058 2.722 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.038 2.626 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.282 2.888 -0.701 1.00 0.00 H new ATOM 984 N THR A 210 9.258 5.298 -3.340 1.00 0.00 N ATOM 985 CA THR A 210 8.226 5.955 -4.122 1.00 0.00 C ATOM 986 C THR A 210 7.067 4.992 -4.388 1.00 0.00 C ATOM 987 O THR A 210 7.227 3.776 -4.285 1.00 0.00 O ATOM 988 CB THR A 210 8.871 6.494 -5.400 1.00 0.00 C ATOM 989 OG1 THR A 210 7.828 7.228 -6.035 1.00 0.00 O ATOM 990 CG2 THR A 210 9.210 5.386 -6.399 1.00 0.00 C ATOM 0 H THR A 210 9.962 4.807 -3.890 1.00 0.00 H new ATOM 0 HA THR A 210 7.794 6.796 -3.579 1.00 0.00 H new ATOM 0 HB THR A 210 9.779 7.041 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 210 8.162 7.613 -6.872 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.665 5.824 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.908 4.685 -5.942 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.299 4.859 -6.681 1.00 0.00 H new ATOM 998 N LEU A 211 5.924 5.570 -4.727 1.00 0.00 N ATOM 999 CA LEU A 211 4.739 4.779 -5.009 1.00 0.00 C ATOM 1000 C LEU A 211 5.085 3.695 -6.032 1.00 0.00 C ATOM 1001 O LEU A 211 4.631 2.559 -5.916 1.00 0.00 O ATOM 1002 CB LEU A 211 3.580 5.683 -5.439 1.00 0.00 C ATOM 1003 CG LEU A 211 2.499 5.933 -4.386 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.919 4.613 -3.873 1.00 0.00 C ATOM 1005 CD2 LEU A 211 3.032 6.806 -3.248 1.00 0.00 C ATOM 0 H LEU A 211 5.794 6.578 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 211 4.398 4.270 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.990 6.645 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.109 5.243 -6.318 1.00 0.00 H new ATOM 0 HG LEU A 211 1.684 6.482 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.153 4.818 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 211 1.477 4.062 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.713 4.017 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 211 2.243 6.968 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 211 3.875 6.307 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 211 3.358 7.766 -3.648 1.00 0.00 H new ATOM 1017 N GLU A 212 5.887 4.086 -7.012 1.00 0.00 N ATOM 1018 CA GLU A 212 6.300 3.163 -8.055 1.00 0.00 C ATOM 1019 C GLU A 212 7.053 1.977 -7.447 1.00 0.00 C ATOM 1020 O GLU A 212 6.872 0.839 -7.875 1.00 0.00 O ATOM 1021 CB GLU A 212 7.153 3.871 -9.108 1.00 0.00 C ATOM 1022 CG GLU A 212 6.483 3.820 -10.483 1.00 0.00 C ATOM 1023 CD GLU A 212 7.190 4.748 -11.473 1.00 0.00 C ATOM 1024 OE1 GLU A 212 8.415 4.660 -11.638 1.00 0.00 O ATOM 1025 OE2 GLU A 212 6.419 5.583 -12.083 1.00 0.00 O ATOM 0 H GLU A 212 6.262 5.030 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 212 5.407 2.785 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.311 4.909 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.135 3.402 -9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.500 2.798 -10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.436 4.109 -10.392 1.00 0.00 H new ATOM 1033 N GLU A 213 7.878 2.286 -6.458 1.00 0.00 N ATOM 1034 CA GLU A 213 8.657 1.260 -5.787 1.00 0.00 C ATOM 1035 C GLU A 213 7.746 0.370 -4.939 1.00 0.00 C ATOM 1036 O GLU A 213 7.945 -0.842 -4.869 1.00 0.00 O ATOM 1037 CB GLU A 213 9.763 1.883 -4.933 1.00 0.00 C ATOM 1038 CG GLU A 213 10.796 0.832 -4.522 1.00 0.00 C ATOM 1039 CD GLU A 213 11.857 0.651 -5.610 1.00 0.00 C ATOM 1040 OE1 GLU A 213 11.596 -0.013 -6.625 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.985 1.231 -5.375 1.00 0.00 O ATOM 0 H GLU A 213 8.024 3.232 -6.105 1.00 0.00 H new ATOM 0 HA GLU A 213 9.134 0.640 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.253 2.681 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.328 2.338 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.274 1.132 -3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.297 -0.119 -4.333 1.00 0.00 H new ATOM 1049 N MET A 214 6.766 1.006 -4.314 1.00 0.00 N ATOM 1050 CA MET A 214 5.822 0.288 -3.473 1.00 0.00 C ATOM 1051 C MET A 214 4.979 -0.683 -4.302 1.00 0.00 C ATOM 1052 O MET A 214 4.770 -1.827 -3.903 1.00 0.00 O ATOM 1053 CB MET A 214 4.905 1.286 -2.767 1.00 0.00 C ATOM 1054 CG MET A 214 5.663 2.054 -1.682 1.00 0.00 C ATOM 1055 SD MET A 214 5.094 3.746 -1.621 1.00 0.00 S ATOM 1056 CE MET A 214 4.723 3.885 0.120 1.00 0.00 C ATOM 0 H MET A 214 6.605 2.011 -4.373 1.00 0.00 H new ATOM 0 HA MET A 214 6.384 -0.286 -2.736 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.495 1.987 -3.495 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.061 0.758 -2.322 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.513 1.576 -0.714 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.733 2.029 -1.887 1.00 0.00 H new ATOM 0 HE1 MET A 214 3.987 4.674 0.273 1.00 0.00 H new ATOM 0 HE2 MET A 214 4.321 2.939 0.483 1.00 0.00 H new ATOM 0 HE3 MET A 214 5.634 4.127 0.668 1.00 0.00 H new ATOM 1066 N MET A 215 4.516 -0.191 -5.441 1.00 0.00 N ATOM 1067 CA MET A 215 3.699 -1.001 -6.330 1.00 0.00 C ATOM 1068 C MET A 215 4.537 -2.090 -7.004 1.00 0.00 C ATOM 1069 O MET A 215 4.045 -3.189 -7.255 1.00 0.00 O ATOM 1070 CB MET A 215 3.068 -0.106 -7.400 1.00 0.00 C ATOM 1071 CG MET A 215 2.178 -0.922 -8.341 1.00 0.00 C ATOM 1072 SD MET A 215 1.778 0.041 -9.789 1.00 0.00 S ATOM 1073 CE MET A 215 3.012 -0.577 -10.922 1.00 0.00 C ATOM 0 H MET A 215 4.691 0.759 -5.770 1.00 0.00 H new ATOM 0 HA MET A 215 2.919 -1.482 -5.740 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.478 0.677 -6.923 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.851 0.390 -7.973 1.00 0.00 H new ATOM 0 HG2 MET A 215 2.689 -1.839 -8.634 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.264 -1.217 -7.826 1.00 0.00 H new ATOM 0 HE1 MET A 215 2.905 -0.077 -11.885 1.00 0.00 H new ATOM 0 HE2 MET A 215 4.006 -0.381 -10.520 1.00 0.00 H new ATOM 0 HE3 MET A 215 2.880 -1.651 -11.054 1.00 0.00 H new ATOM 1083 N THR A 216 5.786 -1.746 -7.277 1.00 0.00 N ATOM 1084 CA THR A 216 6.697 -2.680 -7.917 1.00 0.00 C ATOM 1085 C THR A 216 7.009 -3.848 -6.979 1.00 0.00 C ATOM 1086 O THR A 216 7.107 -4.993 -7.417 1.00 0.00 O ATOM 1087 CB THR A 216 7.940 -1.905 -8.357 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.713 -1.640 -9.738 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.204 -2.768 -8.345 1.00 0.00 C ATOM 0 H THR A 216 6.189 -0.833 -7.067 1.00 0.00 H new ATOM 0 HA THR A 216 6.246 -3.127 -8.803 1.00 0.00 H new ATOM 0 HB THR A 216 8.082 -1.045 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.471 -1.138 -10.104 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.056 -2.169 -8.666 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.381 -3.140 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.076 -3.610 -9.025 1.00 0.00 H new ATOM 1097 N ALA A 217 7.158 -3.516 -5.705 1.00 0.00 N ATOM 1098 CA ALA A 217 7.456 -4.524 -4.700 1.00 0.00 C ATOM 1099 C ALA A 217 6.210 -5.376 -4.452 1.00 0.00 C ATOM 1100 O ALA A 217 6.309 -6.591 -4.285 1.00 0.00 O ATOM 1101 CB ALA A 217 7.960 -3.840 -3.426 1.00 0.00 C ATOM 0 H ALA A 217 7.078 -2.565 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 217 8.246 -5.191 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.184 -4.595 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.863 -3.273 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.192 -3.165 -3.047 1.00 0.00 H new ATOM 1107 N CYS A 218 5.068 -4.706 -4.434 1.00 0.00 N ATOM 1108 CA CYS A 218 3.805 -5.388 -4.209 1.00 0.00 C ATOM 1109 C CYS A 218 3.580 -6.374 -5.357 1.00 0.00 C ATOM 1110 O CYS A 218 3.112 -7.491 -5.138 1.00 0.00 O ATOM 1111 CB CYS A 218 2.645 -4.399 -4.071 1.00 0.00 C ATOM 1112 SG CYS A 218 1.231 -5.205 -3.237 1.00 0.00 S ATOM 0 H CYS A 218 4.990 -3.698 -4.571 1.00 0.00 H new ATOM 0 HA CYS A 218 3.846 -5.933 -3.266 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.966 -3.527 -3.500 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.342 -4.042 -5.055 1.00 0.00 H new ATOM 0 HG CYS A 218 0.416 -4.297 -2.789 1.00 0.00 H new ATOM 1118 N GLN A 219 3.923 -5.926 -6.556 1.00 0.00 N ATOM 1119 CA GLN A 219 3.764 -6.755 -7.739 1.00 0.00 C ATOM 1120 C GLN A 219 4.626 -8.014 -7.622 1.00 0.00 C ATOM 1121 O GLN A 219 4.329 -9.032 -8.246 1.00 0.00 O ATOM 1122 CB GLN A 219 4.106 -5.971 -9.007 1.00 0.00 C ATOM 1123 CG GLN A 219 2.954 -6.029 -10.013 1.00 0.00 C ATOM 1124 CD GLN A 219 3.443 -5.698 -11.424 1.00 0.00 C ATOM 1125 OE1 GLN A 219 4.518 -6.092 -11.845 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.596 -4.955 -12.131 1.00 0.00 N ATOM 0 H GLN A 219 4.310 -4.999 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 219 2.720 -7.058 -7.811 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.319 -4.933 -8.751 1.00 0.00 H new ATOM 0 HB3 GLN A 219 5.010 -6.379 -9.459 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.507 -7.023 -10.003 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.174 -5.326 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 219 1.711 -4.658 -11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 219 2.831 -4.682 -13.085 1.00 0.00 H new ATOM 1135 N GLY A 220 5.676 -7.904 -6.821 1.00 0.00 N ATOM 1136 CA GLY A 220 6.581 -9.021 -6.616 1.00 0.00 C ATOM 1137 C GLY A 220 5.978 -10.047 -5.656 1.00 0.00 C ATOM 1138 O GLY A 220 6.275 -11.238 -5.748 1.00 0.00 O ATOM 0 H GLY A 220 5.920 -7.058 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.799 -9.497 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.528 -8.658 -6.217 1.00 0.00 H new ATOM 1142 N VAL A 221 5.144 -9.549 -4.755 1.00 0.00 N ATOM 1143 CA VAL A 221 4.496 -10.407 -3.779 1.00 0.00 C ATOM 1144 C VAL A 221 3.932 -11.641 -4.484 1.00 0.00 C ATOM 1145 O VAL A 221 3.109 -11.519 -5.392 1.00 0.00 O ATOM 1146 CB VAL A 221 3.433 -9.618 -3.011 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.082 -9.681 -3.726 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.315 -10.118 -1.569 1.00 0.00 C ATOM 0 H VAL A 221 4.902 -8.561 -4.681 1.00 0.00 H new ATOM 0 HA VAL A 221 5.218 -10.757 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 221 3.747 -8.575 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.344 -9.113 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.179 -9.256 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.759 -10.719 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.553 -9.541 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.035 -11.171 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.273 -9.998 -1.063 1.00 0.00 H new