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= -2.1 K(o=-4.2,f=-11!) USER MOD Set 1.2: A 218 CYS SG : rot 164:sc= -2.13 USER MOD Single : A 149 SER OG : rot 140:sc= -0.412 USER MOD Single : A 164 TYR OH : rot 168:sc= -0.201 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 82:sc= -1.25 USER MOD Single : A 186 THR OG1 : rot 64:sc= 0.697 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.37) USER MOD Single : A 193 ASN : amide:sc= -4.95! C(o=-4.9!,f=-6!) USER MOD Single : A 195 ASN : amide:sc= -2.73! C(o=-2.7!,f=-5.1!) USER MOD Single : A 198 CYS SG : rot 180:sc= 0 USER MOD Single : A 199 LYS NZ :NH3+ -161:sc= -0.26 (180deg=-0.884) 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= -0.164 USER MOD Single : A 214 MET CE :methyl 153:sc= -1.57 (180deg=-4.69!) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 38:sc= 1.3 USER MOD Single : A 219 GLN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -13.166 5.275 7.346 1.00 0.00 N ATOM 16 CA SER A 149 -11.859 5.650 7.862 1.00 0.00 C ATOM 17 C SER A 149 -10.759 5.072 6.971 1.00 0.00 C ATOM 18 O SER A 149 -11.036 4.291 6.063 1.00 0.00 O ATOM 19 CB SER A 149 -11.680 5.174 9.304 1.00 0.00 C ATOM 20 OG SER A 149 -10.579 5.814 9.944 1.00 0.00 O ATOM 0 HA SER A 149 -11.788 6.738 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 149 -12.592 5.372 9.867 1.00 0.00 H new ATOM 0 HB3 SER A 149 -11.528 4.095 9.313 1.00 0.00 H new ATOM 0 HG SER A 149 -10.819 6.030 10.869 1.00 0.00 H new ATOM 26 N ILE A 150 -9.532 5.480 7.261 1.00 0.00 N ATOM 27 CA ILE A 150 -8.388 5.014 6.497 1.00 0.00 C ATOM 28 C ILE A 150 -8.033 3.591 6.935 1.00 0.00 C ATOM 29 O ILE A 150 -7.331 2.875 6.224 1.00 0.00 O ATOM 30 CB ILE A 150 -7.225 6.001 6.617 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.705 7.440 6.416 1.00 0.00 C ATOM 32 CG2 ILE A 150 -6.094 5.635 5.653 1.00 0.00 C ATOM 33 CD1 ILE A 150 -8.013 7.715 4.943 1.00 0.00 C ATOM 0 H ILE A 150 -9.306 6.129 8.015 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.632 4.971 5.435 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.822 5.933 7.628 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.597 7.617 7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.942 8.134 6.767 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -5.280 6.352 5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.728 4.634 5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.467 5.657 4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.352 8.745 4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -7.113 7.561 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.794 7.036 4.602 1.00 0.00 H new ATOM 45 N LEU A 151 -8.536 3.225 8.106 1.00 0.00 N ATOM 46 CA LEU A 151 -8.281 1.900 8.648 1.00 0.00 C ATOM 47 C LEU A 151 -8.955 0.852 7.760 1.00 0.00 C ATOM 48 O LEU A 151 -8.448 -0.258 7.611 1.00 0.00 O ATOM 49 CB LEU A 151 -8.710 1.832 10.115 1.00 0.00 C ATOM 50 CG LEU A 151 -10.215 1.763 10.372 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.646 0.341 10.737 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.638 2.780 11.435 1.00 0.00 C ATOM 0 H LEU A 151 -9.118 3.822 8.694 1.00 0.00 H new ATOM 0 HA LEU A 151 -7.213 1.683 8.641 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -8.244 0.957 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -8.314 2.707 10.629 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.730 2.028 9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -11.721 0.321 10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.401 -0.335 9.918 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -10.123 0.023 11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.713 2.710 11.598 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -10.115 2.570 12.368 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -10.388 3.785 11.097 1.00 0.00 H new ATOM 64 N ASP A 152 -10.088 1.244 7.194 1.00 0.00 N ATOM 65 CA ASP A 152 -10.837 0.351 6.325 1.00 0.00 C ATOM 66 C ASP A 152 -10.045 0.119 5.037 1.00 0.00 C ATOM 67 O ASP A 152 -10.337 -0.810 4.285 1.00 0.00 O ATOM 68 CB ASP A 152 -12.189 0.959 5.946 1.00 0.00 C ATOM 69 CG ASP A 152 -13.256 -0.052 5.524 1.00 0.00 C ATOM 70 OD1 ASP A 152 -13.232 -1.219 5.942 1.00 0.00 O ATOM 71 OD2 ASP A 152 -14.154 0.407 4.718 1.00 0.00 O ATOM 0 H ASP A 152 -10.505 2.166 7.320 1.00 0.00 H new ATOM 0 HA ASP A 152 -10.999 -0.585 6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.565 1.529 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -12.037 1.666 5.130 1.00 0.00 H new ATOM 77 N ILE A 153 -9.061 0.977 4.822 1.00 0.00 N ATOM 78 CA ILE A 153 -8.225 0.877 3.637 1.00 0.00 C ATOM 79 C ILE A 153 -7.079 -0.102 3.908 1.00 0.00 C ATOM 80 O ILE A 153 -6.064 0.270 4.494 1.00 0.00 O ATOM 81 CB ILE A 153 -7.755 2.263 3.192 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.936 3.116 2.720 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.662 2.158 2.128 1.00 0.00 C ATOM 84 CD1 ILE A 153 -10.015 3.205 3.800 1.00 0.00 C ATOM 0 H ILE A 153 -8.823 1.746 5.448 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.798 0.477 2.801 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.316 2.767 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.587 4.117 2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.360 2.686 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.347 3.158 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.809 1.615 2.535 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -7.050 1.626 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.842 3.816 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.379 2.205 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.595 3.658 4.698 1.00 0.00 H new ATOM 96 N ARG A 154 -7.282 -1.336 3.468 1.00 0.00 N ATOM 97 CA ARG A 154 -6.280 -2.370 3.655 1.00 0.00 C ATOM 98 C ARG A 154 -5.915 -3.006 2.312 1.00 0.00 C ATOM 99 O ARG A 154 -6.576 -2.758 1.304 1.00 0.00 O ATOM 100 CB ARG A 154 -6.782 -3.458 4.607 1.00 0.00 C ATOM 101 CG ARG A 154 -8.028 -4.146 4.044 1.00 0.00 C ATOM 102 CD ARG A 154 -8.128 -5.590 4.540 1.00 0.00 C ATOM 103 NE ARG A 154 -8.810 -6.428 3.527 1.00 0.00 N ATOM 104 CZ ARG A 154 -8.849 -7.776 3.563 1.00 0.00 C ATOM 105 NH1 ARG A 154 -8.246 -8.453 4.563 1.00 0.00 N ATOM 106 NH2 ARG A 154 -9.487 -8.424 2.606 1.00 0.00 N ATOM 0 H ARG A 154 -8.126 -1.642 2.983 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.398 -1.901 4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -5.996 -4.196 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -7.012 -3.019 5.578 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -8.919 -3.593 4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -7.994 -4.133 2.955 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -7.132 -5.985 4.739 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -8.678 -5.623 5.481 1.00 0.00 H new ATOM 0 HE ARG A 154 -9.279 -5.957 2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -7.756 -7.945 5.299 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -8.281 -9.472 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -9.941 -7.905 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -9.526 -9.443 2.618 1.00 0.00 H new ATOM 120 N GLN A 155 -4.866 -3.813 2.341 1.00 0.00 N ATOM 121 CA GLN A 155 -4.404 -4.485 1.138 1.00 0.00 C ATOM 122 C GLN A 155 -4.660 -5.991 1.242 1.00 0.00 C ATOM 123 O GLN A 155 -3.957 -6.696 1.964 1.00 0.00 O ATOM 124 CB GLN A 155 -2.925 -4.197 0.882 1.00 0.00 C ATOM 125 CG GLN A 155 -2.415 -4.981 -0.329 1.00 0.00 C ATOM 126 CD GLN A 155 -1.017 -5.546 -0.068 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.346 -5.194 0.888 1.00 0.00 O ATOM 128 NE2 GLN A 155 -0.616 -6.436 -0.970 1.00 0.00 N ATOM 0 H GLN A 155 -4.322 -4.017 3.179 1.00 0.00 H new ATOM 0 HA GLN A 155 -4.967 -4.097 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -2.782 -3.129 0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.341 -4.462 1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -3.103 -5.795 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -2.391 -4.331 -1.204 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -1.228 -6.686 -1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 155 0.304 -6.869 -0.885 1.00 0.00 H new ATOM 196 N PRO A 160 -5.583 -5.948 -5.607 1.00 0.00 N ATOM 197 CA PRO A 160 -4.410 -5.313 -6.182 1.00 0.00 C ATOM 198 C PRO A 160 -3.960 -4.122 -5.334 1.00 0.00 C ATOM 199 O PRO A 160 -4.763 -3.526 -4.617 1.00 0.00 O ATOM 200 CB PRO A 160 -4.828 -4.915 -7.588 1.00 0.00 C ATOM 201 CG PRO A 160 -6.348 -4.922 -7.590 1.00 0.00 C ATOM 202 CD PRO A 160 -6.811 -5.645 -6.335 1.00 0.00 C ATOM 0 HA PRO A 160 -3.545 -5.975 -6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.442 -3.929 -7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.433 -5.614 -8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.735 -3.903 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.727 -5.423 -8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.479 -5.020 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.360 -6.554 -6.581 1.00 0.00 H new ATOM 210 N PHE A 161 -2.677 -3.811 -5.442 1.00 0.00 N ATOM 211 CA PHE A 161 -2.110 -2.703 -4.694 1.00 0.00 C ATOM 212 C PHE A 161 -2.630 -1.362 -5.219 1.00 0.00 C ATOM 213 O PHE A 161 -2.746 -0.399 -4.464 1.00 0.00 O ATOM 214 CB PHE A 161 -0.594 -2.758 -4.891 1.00 0.00 C ATOM 215 CG PHE A 161 0.187 -1.789 -3.999 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.083 -1.877 -2.645 1.00 0.00 C ATOM 217 CD2 PHE A 161 0.983 -0.841 -4.560 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.806 -0.979 -1.818 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.708 0.058 -3.732 1.00 0.00 C ATOM 220 CZ PHE A 161 1.604 -0.029 -2.379 1.00 0.00 C ATOM 0 H PHE A 161 -2.014 -4.308 -6.037 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.388 -2.785 -3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.249 -3.773 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.366 -2.539 -5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.550 -2.630 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.065 -0.771 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.723 -1.049 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.342 0.811 -4.177 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.154 0.655 -1.750 1.00 0.00 H new ATOM 230 N ARG A 162 -2.932 -1.346 -6.509 1.00 0.00 N ATOM 231 CA ARG A 162 -3.438 -0.141 -7.142 1.00 0.00 C ATOM 232 C ARG A 162 -4.794 0.243 -6.546 1.00 0.00 C ATOM 233 O ARG A 162 -5.028 1.409 -6.229 1.00 0.00 O ATOM 234 CB ARG A 162 -3.589 -0.335 -8.653 1.00 0.00 C ATOM 235 CG ARG A 162 -3.150 0.917 -9.415 1.00 0.00 C ATOM 236 CD ARG A 162 -3.439 0.778 -10.910 1.00 0.00 C ATOM 237 NE ARG A 162 -3.335 2.099 -11.571 1.00 0.00 N ATOM 238 CZ ARG A 162 -4.315 3.028 -11.566 1.00 0.00 C ATOM 239 NH1 ARG A 162 -5.483 2.787 -10.933 1.00 0.00 N ATOM 240 NH2 ARG A 162 -4.114 4.173 -12.187 1.00 0.00 N ATOM 0 H ARG A 162 -2.836 -2.148 -7.132 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.718 0.657 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.992 -1.188 -8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.628 -0.564 -8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.671 1.789 -9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.084 1.086 -9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -2.734 0.080 -11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.437 0.365 -11.059 1.00 0.00 H new ATOM 0 HE ARG A 162 -2.468 2.321 -12.061 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.630 1.898 -10.454 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.219 3.494 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -3.228 4.347 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.844 4.885 -12.193 1.00 0.00 H new ATOM 254 N ASP A 163 -5.651 -0.757 -6.412 1.00 0.00 N ATOM 255 CA ASP A 163 -6.976 -0.539 -5.859 1.00 0.00 C ATOM 256 C ASP A 163 -6.851 -0.138 -4.387 1.00 0.00 C ATOM 257 O ASP A 163 -7.650 0.650 -3.885 1.00 0.00 O ATOM 258 CB ASP A 163 -7.820 -1.812 -5.932 1.00 0.00 C ATOM 259 CG ASP A 163 -8.934 -1.911 -4.888 1.00 0.00 C ATOM 260 OD1 ASP A 163 -9.209 -2.992 -4.347 1.00 0.00 O ATOM 261 OD2 ASP A 163 -9.541 -0.801 -4.632 1.00 0.00 O ATOM 0 H ASP A 163 -5.453 -1.722 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.458 0.247 -6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.266 -1.878 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -7.161 -2.673 -5.821 1.00 0.00 H new ATOM 267 N TYR A 164 -5.841 -0.701 -3.739 1.00 0.00 N ATOM 268 CA TYR A 164 -5.601 -0.412 -2.335 1.00 0.00 C ATOM 269 C TYR A 164 -5.190 1.049 -2.137 1.00 0.00 C ATOM 270 O TYR A 164 -5.660 1.711 -1.213 1.00 0.00 O ATOM 271 CB TYR A 164 -4.443 -1.317 -1.911 1.00 0.00 C ATOM 272 CG TYR A 164 -3.936 -1.056 -0.491 1.00 0.00 C ATOM 273 CD1 TYR A 164 -4.836 -0.868 0.540 1.00 0.00 C ATOM 274 CD2 TYR A 164 -2.580 -1.009 -0.240 1.00 0.00 C ATOM 275 CE1 TYR A 164 -4.360 -0.622 1.874 1.00 0.00 C ATOM 276 CE2 TYR A 164 -2.104 -0.763 1.098 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.018 -0.582 2.089 1.00 0.00 C ATOM 278 OH TYR A 164 -2.568 -0.351 3.351 1.00 0.00 O ATOM 0 H TYR A 164 -5.181 -1.355 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.503 -0.584 -1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.762 -2.357 -1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.617 -1.185 -2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -5.897 -0.906 0.344 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -1.876 -1.156 -1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -5.054 -0.472 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -1.046 -0.723 1.309 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.607 -0.539 3.395 1.00 0.00 H new ATOM 288 N VAL A 165 -4.317 1.509 -3.022 1.00 0.00 N ATOM 289 CA VAL A 165 -3.838 2.879 -2.957 1.00 0.00 C ATOM 290 C VAL A 165 -4.993 3.835 -3.260 1.00 0.00 C ATOM 291 O VAL A 165 -5.148 4.858 -2.595 1.00 0.00 O ATOM 292 CB VAL A 165 -2.646 3.062 -3.899 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.471 4.533 -4.280 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.366 2.498 -3.281 1.00 0.00 C ATOM 0 H VAL A 165 -3.929 0.957 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.481 3.111 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.850 2.502 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.617 4.636 -4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.371 4.888 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.300 5.124 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.535 2.641 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -1.154 3.016 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.495 1.434 -3.085 1.00 0.00 H new ATOM 304 N ASP A 166 -5.775 3.466 -4.264 1.00 0.00 N ATOM 305 CA ASP A 166 -6.913 4.277 -4.664 1.00 0.00 C ATOM 306 C ASP A 166 -7.855 4.450 -3.471 1.00 0.00 C ATOM 307 O ASP A 166 -8.356 5.547 -3.226 1.00 0.00 O ATOM 308 CB ASP A 166 -7.697 3.607 -5.792 1.00 0.00 C ATOM 309 CG ASP A 166 -8.611 4.541 -6.589 1.00 0.00 C ATOM 310 OD1 ASP A 166 -8.954 5.641 -6.131 1.00 0.00 O ATOM 311 OD2 ASP A 166 -8.978 4.093 -7.742 1.00 0.00 O ATOM 0 H ASP A 166 -5.643 2.616 -4.813 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.536 5.240 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -6.990 3.142 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.302 2.806 -5.367 1.00 0.00 H new ATOM 317 N ARG A 167 -8.065 3.353 -2.760 1.00 0.00 N ATOM 318 CA ARG A 167 -8.938 3.369 -1.599 1.00 0.00 C ATOM 319 C ARG A 167 -8.341 4.248 -0.497 1.00 0.00 C ATOM 320 O ARG A 167 -9.047 5.047 0.115 1.00 0.00 O ATOM 321 CB ARG A 167 -9.156 1.956 -1.052 1.00 0.00 C ATOM 322 CG ARG A 167 -10.632 1.716 -0.729 1.00 0.00 C ATOM 323 CD ARG A 167 -11.273 0.781 -1.757 1.00 0.00 C ATOM 324 NE ARG A 167 -12.747 0.819 -1.626 1.00 0.00 N ATOM 325 CZ ARG A 167 -13.571 -0.155 -2.068 1.00 0.00 C ATOM 326 NH1 ARG A 167 -13.072 -1.252 -2.676 1.00 0.00 N ATOM 327 NH2 ARG A 167 -14.874 -0.018 -1.898 1.00 0.00 N ATOM 0 H ARG A 167 -7.645 2.446 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.899 3.776 -1.914 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.816 1.222 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.555 1.813 -0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.724 1.285 0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.164 2.667 -0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -10.981 1.080 -2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -10.913 -0.237 -1.609 1.00 0.00 H new ATOM 0 HE ARG A 167 -13.166 1.631 -1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -12.065 -1.350 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -13.702 -1.983 -3.007 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -15.244 0.814 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -15.510 -0.745 -2.226 1.00 0.00 H new ATOM 341 N PHE A 168 -7.046 4.069 -0.280 1.00 0.00 N ATOM 342 CA PHE A 168 -6.346 4.835 0.736 1.00 0.00 C ATOM 343 C PHE A 168 -6.463 6.337 0.469 1.00 0.00 C ATOM 344 O PHE A 168 -6.781 7.109 1.372 1.00 0.00 O ATOM 345 CB PHE A 168 -4.872 4.430 0.663 1.00 0.00 C ATOM 346 CG PHE A 168 -4.007 5.033 1.773 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.518 6.295 1.644 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.727 4.306 2.888 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.714 6.854 2.674 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.923 4.865 3.916 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.434 6.127 3.788 1.00 0.00 C ATOM 0 H PHE A 168 -6.464 3.405 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.777 4.633 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.801 3.343 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.469 4.734 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.740 6.873 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.116 3.304 2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -2.325 7.856 2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.700 4.287 4.801 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.823 6.552 4.571 1.00 0.00 H new ATOM 361 N TYR A 169 -6.200 6.707 -0.776 1.00 0.00 N ATOM 362 CA TYR A 169 -6.274 8.102 -1.173 1.00 0.00 C ATOM 363 C TYR A 169 -7.726 8.555 -1.323 1.00 0.00 C ATOM 364 O TYR A 169 -8.016 9.749 -1.275 1.00 0.00 O ATOM 365 CB TYR A 169 -5.582 8.189 -2.537 1.00 0.00 C ATOM 366 CG TYR A 169 -4.054 8.195 -2.461 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.396 7.232 -1.722 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.335 9.162 -3.131 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.958 7.238 -1.651 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.896 9.169 -3.059 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.278 8.205 -2.323 1.00 0.00 C ATOM 372 OH TYR A 169 0.079 8.211 -2.255 1.00 0.00 O ATOM 0 H TYR A 169 -5.935 6.064 -1.523 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.805 8.739 -0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.902 7.346 -3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.914 9.095 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.960 6.475 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.850 9.914 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.431 6.491 -1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.321 9.922 -3.577 1.00 0.00 H new ATOM 0 HH TYR A 169 0.430 8.957 -2.784 1.00 0.00 H new ATOM 382 N LYS A 170 -8.602 7.577 -1.497 1.00 0.00 N ATOM 383 CA LYS A 170 -10.019 7.860 -1.653 1.00 0.00 C ATOM 384 C LYS A 170 -10.601 8.288 -0.304 1.00 0.00 C ATOM 385 O LYS A 170 -11.354 9.258 -0.228 1.00 0.00 O ATOM 386 CB LYS A 170 -10.739 6.665 -2.280 1.00 0.00 C ATOM 387 CG LYS A 170 -10.817 6.808 -3.802 1.00 0.00 C ATOM 388 CD LYS A 170 -11.549 5.620 -4.428 1.00 0.00 C ATOM 389 CE LYS A 170 -12.101 5.981 -5.808 1.00 0.00 C ATOM 390 NZ LYS A 170 -12.364 4.757 -6.597 1.00 0.00 N ATOM 0 H LYS A 170 -8.358 6.587 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 170 -10.167 8.690 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -10.214 5.745 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.744 6.584 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.333 7.733 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.811 6.879 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.868 4.774 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -12.365 5.307 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -13.021 6.555 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -11.389 6.616 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -12.738 5.020 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -11.479 4.224 -6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -13.060 4.166 -6.099 1.00 0.00 H new ATOM 404 N THR A 171 -10.228 7.545 0.728 1.00 0.00 N ATOM 405 CA THR A 171 -10.703 7.836 2.069 1.00 0.00 C ATOM 406 C THR A 171 -9.988 9.065 2.634 1.00 0.00 C ATOM 407 O THR A 171 -10.596 9.879 3.328 1.00 0.00 O ATOM 408 CB THR A 171 -10.514 6.579 2.922 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.306 5.592 2.265 1.00 0.00 O ATOM 410 CG2 THR A 171 -11.151 6.709 4.306 1.00 0.00 C ATOM 0 H THR A 171 -9.602 6.742 0.662 1.00 0.00 H new ATOM 0 HA THR A 171 -11.763 8.088 2.066 1.00 0.00 H new ATOM 0 HB THR A 171 -9.450 6.371 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.804 5.219 1.510 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.988 5.790 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.698 7.546 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 171 -12.222 6.883 4.199 1.00 0.00 H new ATOM 418 N LEU A 172 -8.706 9.162 2.315 1.00 0.00 N ATOM 419 CA LEU A 172 -7.901 10.279 2.780 1.00 0.00 C ATOM 420 C LEU A 172 -8.534 11.590 2.310 1.00 0.00 C ATOM 421 O LEU A 172 -8.651 12.538 3.084 1.00 0.00 O ATOM 422 CB LEU A 172 -6.444 10.107 2.346 1.00 0.00 C ATOM 423 CG LEU A 172 -5.991 10.972 1.167 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.998 12.456 1.541 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.625 10.517 0.647 1.00 0.00 C ATOM 0 H LEU A 172 -8.204 8.485 1.740 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.883 10.308 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.803 10.326 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.283 9.061 2.087 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.705 10.843 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.672 13.048 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -7.007 12.755 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -5.320 12.624 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.326 11.148 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.886 10.599 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.689 9.480 0.316 1.00 0.00 H new ATOM 437 N ARG A 173 -8.925 11.600 1.045 1.00 0.00 N ATOM 438 CA ARG A 173 -9.543 12.779 0.462 1.00 0.00 C ATOM 439 C ARG A 173 -11.030 12.831 0.820 1.00 0.00 C ATOM 440 O ARG A 173 -11.754 13.708 0.353 1.00 0.00 O ATOM 441 CB ARG A 173 -9.393 12.783 -1.060 1.00 0.00 C ATOM 442 CG ARG A 173 -9.153 14.202 -1.583 1.00 0.00 C ATOM 443 CD ARG A 173 -10.135 14.547 -2.704 1.00 0.00 C ATOM 444 NE ARG A 173 -10.107 16.002 -2.972 1.00 0.00 N ATOM 445 CZ ARG A 173 -10.774 16.598 -3.983 1.00 0.00 C ATOM 446 NH1 ARG A 173 -11.529 15.868 -4.830 1.00 0.00 N ATOM 447 NH2 ARG A 173 -10.676 17.906 -4.130 1.00 0.00 N ATOM 0 H ARG A 173 -8.826 10.811 0.407 1.00 0.00 H new ATOM 0 HA ARG A 173 -9.036 13.654 0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -8.562 12.139 -1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -10.291 12.369 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -9.261 14.917 -0.767 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -8.131 14.290 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -9.875 13.997 -3.609 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -11.142 14.240 -2.423 1.00 0.00 H new ATOM 0 HE ARG A 173 -9.549 16.591 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -11.599 14.858 -4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -12.030 16.327 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -10.103 18.450 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -11.173 18.373 -4.889 1.00 0.00 H new ATOM 461 N ALA A 174 -11.439 11.881 1.650 1.00 0.00 N ATOM 462 CA ALA A 174 -12.826 11.808 2.077 1.00 0.00 C ATOM 463 C ALA A 174 -12.973 12.492 3.437 1.00 0.00 C ATOM 464 O ALA A 174 -14.084 12.805 3.861 1.00 0.00 O ATOM 465 CB ALA A 174 -13.274 10.345 2.107 1.00 0.00 C ATOM 0 H ALA A 174 -10.834 11.157 2.037 1.00 0.00 H new ATOM 0 HA ALA A 174 -13.473 12.332 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.314 10.290 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.178 9.914 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.649 9.787 2.805 1.00 0.00 H new ATOM 630 N THR A 186 1.668 9.024 4.641 1.00 0.00 N ATOM 631 CA THR A 186 0.717 8.268 3.842 1.00 0.00 C ATOM 632 C THR A 186 1.262 6.869 3.546 1.00 0.00 C ATOM 633 O THR A 186 0.546 5.879 3.679 1.00 0.00 O ATOM 634 CB THR A 186 0.408 9.080 2.583 1.00 0.00 C ATOM 635 OG1 THR A 186 0.102 8.093 1.601 1.00 0.00 O ATOM 636 CG2 THR A 186 1.643 9.790 2.025 1.00 0.00 C ATOM 0 HA THR A 186 -0.217 8.110 4.382 1.00 0.00 H new ATOM 0 HB THR A 186 -0.363 9.817 2.807 1.00 0.00 H new ATOM 0 HG1 THR A 186 -0.707 7.607 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 186 1.368 10.351 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 186 2.040 10.474 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 186 2.403 9.051 1.769 1.00 0.00 H new ATOM 644 N GLU A 187 2.527 6.835 3.149 1.00 0.00 N ATOM 645 CA GLU A 187 3.177 5.574 2.832 1.00 0.00 C ATOM 646 C GLU A 187 3.333 4.725 4.096 1.00 0.00 C ATOM 647 O GLU A 187 3.351 3.498 4.026 1.00 0.00 O ATOM 648 CB GLU A 187 4.530 5.809 2.159 1.00 0.00 C ATOM 649 CG GLU A 187 5.540 6.393 3.147 1.00 0.00 C ATOM 650 CD GLU A 187 5.424 7.918 3.215 1.00 0.00 C ATOM 651 OE1 GLU A 187 4.614 8.511 2.486 1.00 0.00 O ATOM 652 OE2 GLU A 187 6.213 8.489 4.061 1.00 0.00 O ATOM 0 H GLU A 187 3.118 7.659 3.040 1.00 0.00 H new ATOM 0 HA GLU A 187 2.548 5.030 2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.909 4.869 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.407 6.488 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.373 5.968 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 187 6.550 6.115 2.847 1.00 0.00 H new ATOM 660 N THR A 188 3.441 5.414 5.223 1.00 0.00 N ATOM 661 CA THR A 188 3.596 4.739 6.500 1.00 0.00 C ATOM 662 C THR A 188 2.289 4.052 6.902 1.00 0.00 C ATOM 663 O THR A 188 2.301 2.929 7.403 1.00 0.00 O ATOM 664 CB THR A 188 4.081 5.767 7.524 1.00 0.00 C ATOM 665 OG1 THR A 188 5.299 5.216 8.019 1.00 0.00 O ATOM 666 CG2 THR A 188 3.176 5.842 8.754 1.00 0.00 C ATOM 0 H THR A 188 3.424 6.432 5.278 1.00 0.00 H new ATOM 0 HA THR A 188 4.340 3.945 6.439 1.00 0.00 H new ATOM 0 HB THR A 188 4.134 6.749 7.055 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.683 5.820 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.566 6.587 9.448 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.169 6.124 8.448 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.147 4.869 9.244 1.00 0.00 H new ATOM 674 N LEU A 189 1.192 4.757 6.668 1.00 0.00 N ATOM 675 CA LEU A 189 -0.121 4.230 6.999 1.00 0.00 C ATOM 676 C LEU A 189 -0.497 3.139 5.993 1.00 0.00 C ATOM 677 O LEU A 189 -0.972 2.072 6.378 1.00 0.00 O ATOM 678 CB LEU A 189 -1.147 5.362 7.088 1.00 0.00 C ATOM 679 CG LEU A 189 -1.699 5.658 8.485 1.00 0.00 C ATOM 680 CD1 LEU A 189 -0.589 5.603 9.537 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.447 6.991 8.509 1.00 0.00 C ATOM 0 H LEU A 189 1.185 5.689 6.253 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.106 3.765 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.690 6.272 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -1.983 5.120 6.432 1.00 0.00 H new ATOM 0 HG LEU A 189 -2.420 4.881 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -1.008 5.817 10.520 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -0.141 4.609 9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 189 0.175 6.344 9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.828 7.176 9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -1.768 7.795 8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -3.279 6.954 7.806 1.00 0.00 H new ATOM 693 N LEU A 190 -0.270 3.446 4.724 1.00 0.00 N ATOM 694 CA LEU A 190 -0.578 2.506 3.660 1.00 0.00 C ATOM 695 C LEU A 190 0.251 1.235 3.853 1.00 0.00 C ATOM 696 O LEU A 190 -0.263 0.125 3.708 1.00 0.00 O ATOM 697 CB LEU A 190 -0.388 3.163 2.292 1.00 0.00 C ATOM 698 CG LEU A 190 -0.545 2.244 1.078 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.863 2.518 0.352 1.00 0.00 C ATOM 700 CD2 LEU A 190 0.660 2.360 0.143 1.00 0.00 C ATOM 0 H LEU A 190 0.124 4.333 4.409 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.627 2.213 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -1.105 3.979 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.607 3.608 2.260 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.579 1.213 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.951 1.852 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.696 2.344 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.883 3.553 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.523 1.697 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 190 0.751 3.388 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.566 2.078 0.680 1.00 0.00 H new ATOM 712 N VAL A 191 1.521 1.437 4.176 1.00 0.00 N ATOM 713 CA VAL A 191 2.426 0.322 4.389 1.00 0.00 C ATOM 714 C VAL A 191 2.038 -0.404 5.679 1.00 0.00 C ATOM 715 O VAL A 191 1.965 -1.632 5.705 1.00 0.00 O ATOM 716 CB VAL A 191 3.874 0.816 4.394 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.823 -0.271 4.905 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.293 1.300 3.004 1.00 0.00 C ATOM 0 H VAL A 191 1.944 2.358 4.295 1.00 0.00 H new ATOM 0 HA VAL A 191 2.345 -0.397 3.574 1.00 0.00 H new ATOM 0 HB VAL A 191 3.936 1.663 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.846 0.106 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.545 -0.548 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.755 -1.146 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.326 1.646 3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 191 4.206 0.480 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.645 2.120 2.694 1.00 0.00 H new ATOM 728 N GLN A 192 1.800 0.384 6.716 1.00 0.00 N ATOM 729 CA GLN A 192 1.421 -0.168 8.005 1.00 0.00 C ATOM 730 C GLN A 192 0.067 -0.874 7.904 1.00 0.00 C ATOM 731 O GLN A 192 -0.145 -1.911 8.529 1.00 0.00 O ATOM 732 CB GLN A 192 1.393 0.919 9.081 1.00 0.00 C ATOM 733 CG GLN A 192 0.790 0.387 10.383 1.00 0.00 C ATOM 734 CD GLN A 192 -0.454 1.185 10.777 1.00 0.00 C ATOM 735 OE1 GLN A 192 -1.452 1.217 10.075 1.00 0.00 O ATOM 736 NE2 GLN A 192 -0.340 1.826 11.937 1.00 0.00 N ATOM 0 H GLN A 192 1.862 1.402 6.690 1.00 0.00 H new ATOM 0 HA GLN A 192 2.171 -0.903 8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 192 2.405 1.279 9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.811 1.770 8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 192 0.529 -0.665 10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 192 1.531 0.444 11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 192 0.524 1.757 12.475 1.00 0.00 H new ATOM 0 HE22 GLN A 192 -1.116 2.387 12.288 1.00 0.00 H new ATOM 745 N ASN A 193 -0.814 -0.283 7.110 1.00 0.00 N ATOM 746 CA ASN A 193 -2.142 -0.841 6.918 1.00 0.00 C ATOM 747 C ASN A 193 -2.124 -1.786 5.715 1.00 0.00 C ATOM 748 O ASN A 193 -3.175 -2.153 5.193 1.00 0.00 O ATOM 749 CB ASN A 193 -3.168 0.258 6.640 1.00 0.00 C ATOM 750 CG ASN A 193 -4.592 -0.247 6.874 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.088 -1.122 6.182 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.219 0.349 7.884 1.00 0.00 N ATOM 0 H ASN A 193 -0.634 0.577 6.592 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.420 -1.370 7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -2.972 1.115 7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.066 0.604 5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.174 0.081 8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -4.745 1.074 8.422 1.00 0.00 H new ATOM 759 N ALA A 194 -0.917 -2.153 5.309 1.00 0.00 N ATOM 760 CA ALA A 194 -0.748 -3.049 4.177 1.00 0.00 C ATOM 761 C ALA A 194 -0.539 -4.476 4.688 1.00 0.00 C ATOM 762 O ALA A 194 -0.256 -4.682 5.867 1.00 0.00 O ATOM 763 CB ALA A 194 0.417 -2.564 3.312 1.00 0.00 C ATOM 0 H ALA A 194 -0.047 -1.846 5.744 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.641 -3.050 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.544 -3.236 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.207 -1.557 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.331 -2.553 3.906 1.00 0.00 H new ATOM 769 N ASN A 195 -0.688 -5.424 3.775 1.00 0.00 N ATOM 770 CA ASN A 195 -0.519 -6.827 4.118 1.00 0.00 C ATOM 771 C ASN A 195 0.833 -7.019 4.808 1.00 0.00 C ATOM 772 O ASN A 195 1.624 -6.082 4.905 1.00 0.00 O ATOM 773 CB ASN A 195 -0.541 -7.706 2.867 1.00 0.00 C ATOM 774 CG ASN A 195 -1.712 -8.689 2.907 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.619 -8.580 3.715 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.642 -9.651 1.991 1.00 0.00 N ATOM 0 H ASN A 195 -0.924 -5.249 2.798 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.340 -7.115 4.775 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.619 -7.079 1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.397 -8.256 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.377 -10.356 1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.854 -9.683 1.345 1.00 0.00 H new ATOM 783 N PRO A 196 1.062 -8.273 5.283 1.00 0.00 N ATOM 784 CA PRO A 196 2.305 -8.600 5.962 1.00 0.00 C ATOM 785 C PRO A 196 3.457 -8.730 4.963 1.00 0.00 C ATOM 786 O PRO A 196 4.507 -8.114 5.140 1.00 0.00 O ATOM 787 CB PRO A 196 2.017 -9.893 6.708 1.00 0.00 C ATOM 788 CG PRO A 196 0.780 -10.486 6.051 1.00 0.00 C ATOM 789 CD PRO A 196 0.148 -9.407 5.187 1.00 0.00 C ATOM 0 HA PRO A 196 2.625 -7.820 6.653 1.00 0.00 H new ATOM 0 HB2 PRO A 196 2.862 -10.579 6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 196 1.844 -9.703 7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.048 -11.352 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.075 -10.831 6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.037 -9.740 4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.847 -9.145 5.546 1.00 0.00 H new ATOM 797 N ASP A 197 3.222 -9.535 3.938 1.00 0.00 N ATOM 798 CA ASP A 197 4.227 -9.754 2.912 1.00 0.00 C ATOM 799 C ASP A 197 4.736 -8.403 2.407 1.00 0.00 C ATOM 800 O ASP A 197 5.939 -8.147 2.412 1.00 0.00 O ATOM 801 CB ASP A 197 3.640 -10.512 1.720 1.00 0.00 C ATOM 802 CG ASP A 197 2.918 -11.815 2.074 1.00 0.00 C ATOM 803 OD1 ASP A 197 1.795 -11.799 2.599 1.00 0.00 O ATOM 804 OD2 ASP A 197 3.565 -12.892 1.786 1.00 0.00 O ATOM 0 H ASP A 197 2.350 -10.044 3.796 1.00 0.00 H new ATOM 0 HA ASP A 197 5.035 -10.340 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.941 -9.857 1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 197 4.445 -10.739 1.021 1.00 0.00 H new ATOM 810 N CYS A 198 3.794 -7.572 1.983 1.00 0.00 N ATOM 811 CA CYS A 198 4.134 -6.253 1.477 1.00 0.00 C ATOM 812 C CYS A 198 4.965 -5.529 2.537 1.00 0.00 C ATOM 813 O CYS A 198 5.904 -4.805 2.208 1.00 0.00 O ATOM 814 CB CYS A 198 2.883 -5.457 1.090 1.00 0.00 C ATOM 815 SG CYS A 198 3.363 -3.945 0.179 1.00 0.00 S ATOM 0 H CYS A 198 2.797 -7.787 1.980 1.00 0.00 H new ATOM 0 HA CYS A 198 4.721 -6.352 0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.227 -6.071 0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.320 -5.190 1.985 1.00 0.00 H new ATOM 0 HG CYS A 198 2.296 -3.278 -0.147 1.00 0.00 H new ATOM 821 N LYS A 199 4.591 -5.751 3.788 1.00 0.00 N ATOM 822 CA LYS A 199 5.292 -5.128 4.899 1.00 0.00 C ATOM 823 C LYS A 199 6.765 -5.535 4.859 1.00 0.00 C ATOM 824 O LYS A 199 7.649 -4.691 4.998 1.00 0.00 O ATOM 825 CB LYS A 199 4.598 -5.460 6.223 1.00 0.00 C ATOM 826 CG LYS A 199 5.020 -4.483 7.322 1.00 0.00 C ATOM 827 CD LYS A 199 3.837 -3.627 7.778 1.00 0.00 C ATOM 828 CE LYS A 199 3.452 -3.948 9.223 1.00 0.00 C ATOM 829 NZ LYS A 199 2.945 -2.735 9.905 1.00 0.00 N ATOM 0 H LYS A 199 3.813 -6.353 4.057 1.00 0.00 H new ATOM 0 HA LYS A 199 5.258 -4.042 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.517 -5.420 6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 199 4.845 -6.479 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.422 -5.036 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.819 -3.839 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 199 4.093 -2.571 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 199 2.983 -3.802 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 199 2.690 -4.727 9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 199 4.317 -4.339 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 2.992 -2.871 10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 3.528 -1.917 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 1.959 -2.565 9.623 1.00 0.00 H new ATOM 843 N THR A 200 6.986 -6.828 4.669 1.00 0.00 N ATOM 844 CA THR A 200 8.338 -7.355 4.608 1.00 0.00 C ATOM 845 C THR A 200 9.090 -6.760 3.417 1.00 0.00 C ATOM 846 O THR A 200 10.263 -6.409 3.531 1.00 0.00 O ATOM 847 CB THR A 200 8.247 -8.882 4.569 1.00 0.00 C ATOM 848 OG1 THR A 200 7.611 -9.225 5.797 1.00 0.00 O ATOM 849 CG2 THR A 200 9.620 -9.553 4.659 1.00 0.00 C ATOM 0 H THR A 200 6.251 -7.526 4.555 1.00 0.00 H new ATOM 0 HA THR A 200 8.914 -7.071 5.489 1.00 0.00 H new ATOM 0 HB THR A 200 7.751 -9.192 3.649 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.511 -10.198 5.853 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.499 -10.636 4.627 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.237 -9.232 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.103 -9.270 5.594 1.00 0.00 H new ATOM 857 N ILE A 201 8.384 -6.665 2.299 1.00 0.00 N ATOM 858 CA ILE A 201 8.970 -6.119 1.087 1.00 0.00 C ATOM 859 C ILE A 201 9.308 -4.643 1.311 1.00 0.00 C ATOM 860 O ILE A 201 10.308 -4.146 0.792 1.00 0.00 O ATOM 861 CB ILE A 201 8.051 -6.364 -0.110 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.330 -7.708 0.019 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.823 -6.253 -1.426 1.00 0.00 C ATOM 864 CD1 ILE A 201 7.318 -8.454 -1.318 1.00 0.00 C ATOM 0 H ILE A 201 7.411 -6.957 2.208 1.00 0.00 H new ATOM 0 HA ILE A 201 9.904 -6.629 0.851 1.00 0.00 H new ATOM 0 HB ILE A 201 7.287 -5.587 -0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.823 -8.318 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.307 -7.545 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 201 8.146 -6.432 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 201 9.251 -5.255 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.623 -6.994 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.800 -9.406 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 201 6.803 -7.851 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 201 8.343 -8.637 -1.642 1.00 0.00 H new ATOM 876 N LEU A 202 8.458 -3.984 2.082 1.00 0.00 N ATOM 877 CA LEU A 202 8.654 -2.576 2.381 1.00 0.00 C ATOM 878 C LEU A 202 9.871 -2.417 3.295 1.00 0.00 C ATOM 879 O LEU A 202 10.601 -1.431 3.195 1.00 0.00 O ATOM 880 CB LEU A 202 7.373 -1.965 2.951 1.00 0.00 C ATOM 881 CG LEU A 202 6.875 -0.690 2.269 1.00 0.00 C ATOM 882 CD1 LEU A 202 8.046 0.178 1.806 1.00 0.00 C ATOM 883 CD2 LEU A 202 5.918 -1.020 1.122 1.00 0.00 C ATOM 0 H LEU A 202 7.630 -4.399 2.510 1.00 0.00 H new ATOM 0 HA LEU A 202 8.866 -2.019 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.583 -2.714 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.536 -1.748 4.007 1.00 0.00 H new ATOM 0 HG LEU A 202 6.313 -0.109 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 202 7.664 1.078 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 202 8.654 0.457 2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 202 8.656 -0.382 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.579 -0.096 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.434 -1.633 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 202 5.059 -1.567 1.511 1.00 0.00 H new ATOM 895 N LYS A 203 10.051 -3.401 4.163 1.00 0.00 N ATOM 896 CA LYS A 203 11.166 -3.383 5.092 1.00 0.00 C ATOM 897 C LYS A 203 12.475 -3.548 4.317 1.00 0.00 C ATOM 898 O LYS A 203 13.477 -2.911 4.638 1.00 0.00 O ATOM 899 CB LYS A 203 10.966 -4.429 6.191 1.00 0.00 C ATOM 900 CG LYS A 203 10.812 -3.765 7.560 1.00 0.00 C ATOM 901 CD LYS A 203 10.715 -4.813 8.671 1.00 0.00 C ATOM 902 CE LYS A 203 11.788 -4.582 9.737 1.00 0.00 C ATOM 903 NZ LYS A 203 11.759 -5.666 10.744 1.00 0.00 N ATOM 0 H LYS A 203 9.443 -4.216 4.242 1.00 0.00 H new ATOM 0 HA LYS A 203 11.218 -2.422 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.082 -5.027 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.816 -5.111 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 203 11.662 -3.109 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.919 -3.140 7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 203 9.727 -4.772 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 203 10.828 -5.810 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 203 12.771 -4.539 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 203 11.624 -3.621 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 12.493 -5.494 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 10.826 -5.689 11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 11.937 -6.578 10.277 1.00 0.00 H new ATOM 917 N ALA A 204 12.424 -4.409 3.310 1.00 0.00 N ATOM 918 CA ALA A 204 13.592 -4.666 2.485 1.00 0.00 C ATOM 919 C ALA A 204 13.764 -3.523 1.483 1.00 0.00 C ATOM 920 O ALA A 204 14.872 -3.269 1.012 1.00 0.00 O ATOM 921 CB ALA A 204 13.444 -6.026 1.801 1.00 0.00 C ATOM 0 H ALA A 204 11.592 -4.937 3.047 1.00 0.00 H new ATOM 0 HA ALA A 204 14.494 -4.706 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.320 -6.219 1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.355 -6.806 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.551 -6.024 1.176 1.00 0.00 H new ATOM 927 N LEU A 205 12.655 -2.866 1.185 1.00 0.00 N ATOM 928 CA LEU A 205 12.669 -1.757 0.247 1.00 0.00 C ATOM 929 C LEU A 205 13.490 -0.608 0.836 1.00 0.00 C ATOM 930 O LEU A 205 14.677 -0.474 0.542 1.00 0.00 O ATOM 931 CB LEU A 205 11.241 -1.360 -0.135 1.00 0.00 C ATOM 932 CG LEU A 205 10.890 -1.468 -1.621 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.302 -2.842 -1.946 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.963 -0.329 -2.049 1.00 0.00 C ATOM 0 H LEU A 205 11.738 -3.080 1.577 1.00 0.00 H new ATOM 0 HA LEU A 205 13.153 -2.051 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 205 10.548 -1.985 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 205 11.073 -0.331 0.184 1.00 0.00 H new ATOM 0 HG LEU A 205 11.809 -1.368 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 205 10.061 -2.893 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 205 11.029 -3.616 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.396 -2.998 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.729 -0.429 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.042 -0.372 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.457 0.627 -1.875 1.00 0.00 H new ATOM 946 N GLY A 206 12.825 0.194 1.656 1.00 0.00 N ATOM 947 CA GLY A 206 13.479 1.327 2.288 1.00 0.00 C ATOM 948 C GLY A 206 12.473 2.175 3.069 1.00 0.00 C ATOM 949 O GLY A 206 11.300 2.245 2.705 1.00 0.00 O ATOM 0 H GLY A 206 11.840 0.081 1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 206 14.260 0.972 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.966 1.940 1.529 1.00 0.00 H new ATOM 953 N PRO A 207 12.980 2.813 4.156 1.00 0.00 N ATOM 954 CA PRO A 207 12.140 3.653 4.991 1.00 0.00 C ATOM 955 C PRO A 207 11.842 4.987 4.304 1.00 0.00 C ATOM 956 O PRO A 207 12.137 6.051 4.849 1.00 0.00 O ATOM 957 CB PRO A 207 12.911 3.814 6.291 1.00 0.00 C ATOM 958 CG PRO A 207 14.351 3.449 5.969 1.00 0.00 C ATOM 959 CD PRO A 207 14.365 2.753 4.618 1.00 0.00 C ATOM 0 HA PRO A 207 11.160 3.214 5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 207 12.841 4.836 6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 207 12.508 3.164 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 207 14.975 4.343 5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 207 14.760 2.795 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 207 15.037 3.254 3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 207 14.709 1.722 4.707 1.00 0.00 H new ATOM 967 N GLY A 208 11.262 4.889 3.117 1.00 0.00 N ATOM 968 CA GLY A 208 10.923 6.074 2.349 1.00 0.00 C ATOM 969 C GLY A 208 10.979 5.790 0.847 1.00 0.00 C ATOM 970 O GLY A 208 11.522 6.583 0.081 1.00 0.00 O ATOM 0 H GLY A 208 11.018 4.006 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.924 6.414 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.613 6.881 2.596 1.00 0.00 H new ATOM 974 N ALA A 209 10.409 4.654 0.470 1.00 0.00 N ATOM 975 CA ALA A 209 10.389 4.255 -0.927 1.00 0.00 C ATOM 976 C ALA A 209 9.262 4.998 -1.648 1.00 0.00 C ATOM 977 O ALA A 209 8.358 5.535 -1.009 1.00 0.00 O ATOM 978 CB ALA A 209 10.238 2.735 -1.021 1.00 0.00 C ATOM 0 H ALA A 209 9.958 3.998 1.108 1.00 0.00 H new ATOM 0 HA ALA A 209 11.326 4.521 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 209 10.223 2.435 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 209 11.077 2.254 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 209 9.306 2.432 -0.543 1.00 0.00 H new ATOM 984 N THR A 210 9.353 5.005 -2.969 1.00 0.00 N ATOM 985 CA THR A 210 8.352 5.673 -3.785 1.00 0.00 C ATOM 986 C THR A 210 7.209 4.713 -4.119 1.00 0.00 C ATOM 987 O THR A 210 7.363 3.498 -4.013 1.00 0.00 O ATOM 988 CB THR A 210 9.053 6.239 -5.022 1.00 0.00 C ATOM 989 OG1 THR A 210 8.023 6.944 -5.712 1.00 0.00 O ATOM 990 CG2 THR A 210 9.479 5.147 -6.006 1.00 0.00 C ATOM 0 H THR A 210 10.104 4.559 -3.496 1.00 0.00 H new ATOM 0 HA THR A 210 7.891 6.501 -3.247 1.00 0.00 H new ATOM 0 HB THR A 210 9.928 6.811 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 210 8.391 7.345 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.971 5.603 -6.865 1.00 0.00 H new ATOM 0 HG22 THR A 210 10.170 4.463 -5.513 1.00 0.00 H new ATOM 0 HG23 THR A 210 8.600 4.597 -6.341 1.00 0.00 H new ATOM 998 N LEU A 211 6.088 5.296 -4.517 1.00 0.00 N ATOM 999 CA LEU A 211 4.919 4.507 -4.868 1.00 0.00 C ATOM 1000 C LEU A 211 5.305 3.475 -5.929 1.00 0.00 C ATOM 1001 O LEU A 211 4.766 2.368 -5.949 1.00 0.00 O ATOM 1002 CB LEU A 211 3.765 5.419 -5.290 1.00 0.00 C ATOM 1003 CG LEU A 211 2.357 4.873 -5.047 1.00 0.00 C ATOM 1004 CD1 LEU A 211 2.225 3.441 -5.567 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.974 4.984 -3.570 1.00 0.00 C ATOM 0 H LEU A 211 5.964 6.305 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 211 4.559 3.954 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.863 6.366 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.870 5.637 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 211 1.652 5.485 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 211 1.214 3.078 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 211 2.426 3.423 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.941 2.800 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.969 4.589 -3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.679 4.412 -2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 211 2.001 6.030 -3.265 1.00 0.00 H new ATOM 1017 N GLU A 212 6.235 3.871 -6.784 1.00 0.00 N ATOM 1018 CA GLU A 212 6.701 2.993 -7.845 1.00 0.00 C ATOM 1019 C GLU A 212 7.402 1.770 -7.252 1.00 0.00 C ATOM 1020 O GLU A 212 7.235 0.655 -7.744 1.00 0.00 O ATOM 1021 CB GLU A 212 7.625 3.741 -8.809 1.00 0.00 C ATOM 1022 CG GLU A 212 7.278 3.412 -10.263 1.00 0.00 C ATOM 1023 CD GLU A 212 8.546 3.204 -11.095 1.00 0.00 C ATOM 1024 OE1 GLU A 212 9.541 3.915 -10.896 1.00 0.00 O ATOM 1025 OE2 GLU A 212 8.473 2.261 -11.973 1.00 0.00 O ATOM 0 H GLU A 212 6.679 4.789 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 212 5.836 2.651 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 212 7.537 4.815 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.662 3.471 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 212 6.663 2.513 -10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 212 6.686 4.221 -10.691 1.00 0.00 H new ATOM 1033 N GLU A 213 8.172 2.018 -6.202 1.00 0.00 N ATOM 1034 CA GLU A 213 8.898 0.950 -5.537 1.00 0.00 C ATOM 1035 C GLU A 213 7.945 0.109 -4.686 1.00 0.00 C ATOM 1036 O GLU A 213 8.093 -1.109 -4.603 1.00 0.00 O ATOM 1037 CB GLU A 213 10.040 1.511 -4.687 1.00 0.00 C ATOM 1038 CG GLU A 213 11.197 0.515 -4.598 1.00 0.00 C ATOM 1039 CD GLU A 213 12.107 0.619 -5.823 1.00 0.00 C ATOM 1040 OE1 GLU A 213 13.204 1.191 -5.735 1.00 0.00 O ATOM 1041 OE2 GLU A 213 11.639 0.078 -6.898 1.00 0.00 O ATOM 0 H GLU A 213 8.309 2.944 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 213 9.337 0.306 -6.299 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.394 2.447 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.675 1.740 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 213 11.776 0.705 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.804 -0.498 -4.518 1.00 0.00 H new ATOM 1049 N MET A 214 6.987 0.791 -4.078 1.00 0.00 N ATOM 1050 CA MET A 214 6.008 0.122 -3.237 1.00 0.00 C ATOM 1051 C MET A 214 5.117 -0.804 -4.066 1.00 0.00 C ATOM 1052 O MET A 214 4.876 -1.948 -3.684 1.00 0.00 O ATOM 1053 CB MET A 214 5.143 1.166 -2.529 1.00 0.00 C ATOM 1054 CG MET A 214 5.988 2.038 -1.598 1.00 0.00 C ATOM 1055 SD MET A 214 5.011 2.561 -0.199 1.00 0.00 S ATOM 1056 CE MET A 214 4.701 4.259 -0.656 1.00 0.00 C ATOM 0 H MET A 214 6.867 1.801 -4.151 1.00 0.00 H new ATOM 0 HA MET A 214 6.540 -0.480 -2.500 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.646 1.793 -3.269 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.361 0.668 -1.956 1.00 0.00 H new ATOM 0 HG2 MET A 214 6.860 1.480 -1.255 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.359 2.909 -2.139 1.00 0.00 H new ATOM 0 HE1 MET A 214 3.768 4.594 -0.202 1.00 0.00 H new ATOM 0 HE2 MET A 214 5.521 4.886 -0.305 1.00 0.00 H new ATOM 0 HE3 MET A 214 4.624 4.336 -1.741 1.00 0.00 H new ATOM 1066 N MET A 215 4.647 -0.276 -5.187 1.00 0.00 N ATOM 1067 CA MET A 215 3.786 -1.040 -6.073 1.00 0.00 C ATOM 1068 C MET A 215 4.579 -2.122 -6.809 1.00 0.00 C ATOM 1069 O MET A 215 4.049 -3.193 -7.102 1.00 0.00 O ATOM 1070 CB MET A 215 3.138 -0.100 -7.092 1.00 0.00 C ATOM 1071 CG MET A 215 4.196 0.552 -7.985 1.00 0.00 C ATOM 1072 SD MET A 215 4.580 -0.519 -9.360 1.00 0.00 S ATOM 1073 CE MET A 215 3.957 0.471 -10.708 1.00 0.00 C ATOM 0 H MET A 215 4.847 0.673 -5.502 1.00 0.00 H new ATOM 0 HA MET A 215 3.017 -1.525 -5.472 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.430 -0.656 -7.707 1.00 0.00 H new ATOM 0 HB3 MET A 215 2.571 0.671 -6.571 1.00 0.00 H new ATOM 0 HG2 MET A 215 3.832 1.512 -8.352 1.00 0.00 H new ATOM 0 HG3 MET A 215 5.098 0.753 -7.407 1.00 0.00 H new ATOM 0 HE1 MET A 215 4.118 -0.054 -11.650 1.00 0.00 H new ATOM 0 HE2 MET A 215 2.890 0.646 -10.568 1.00 0.00 H new ATOM 0 HE3 MET A 215 4.482 1.426 -10.731 1.00 0.00 H new ATOM 1083 N THR A 216 5.836 -1.806 -7.083 1.00 0.00 N ATOM 1084 CA THR A 216 6.707 -2.739 -7.779 1.00 0.00 C ATOM 1085 C THR A 216 6.993 -3.958 -6.900 1.00 0.00 C ATOM 1086 O THR A 216 7.045 -5.084 -7.392 1.00 0.00 O ATOM 1087 CB THR A 216 7.969 -1.983 -8.200 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.629 -1.412 -9.460 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.135 -2.921 -8.519 1.00 0.00 C ATOM 0 H THR A 216 6.272 -0.918 -6.836 1.00 0.00 H new ATOM 0 HA THR A 216 6.231 -3.131 -8.678 1.00 0.00 H new ATOM 0 HB THR A 216 8.262 -1.297 -7.405 1.00 0.00 H new ATOM 0 HG1 THR A 216 6.695 -1.117 -9.444 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.005 -2.333 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.378 -3.513 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 216 8.854 -3.586 -9.336 1.00 0.00 H new ATOM 1097 N ALA A 217 7.170 -3.692 -5.614 1.00 0.00 N ATOM 1098 CA ALA A 217 7.449 -4.753 -4.662 1.00 0.00 C ATOM 1099 C ALA A 217 6.180 -5.576 -4.436 1.00 0.00 C ATOM 1100 O ALA A 217 6.235 -6.805 -4.379 1.00 0.00 O ATOM 1101 CB ALA A 217 7.989 -4.146 -3.365 1.00 0.00 C ATOM 0 H ALA A 217 7.126 -2.757 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 217 8.213 -5.426 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 217 8.198 -4.942 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.906 -3.596 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.247 -3.467 -2.945 1.00 0.00 H new ATOM 1107 N CYS A 218 5.067 -4.869 -4.315 1.00 0.00 N ATOM 1108 CA CYS A 218 3.787 -5.520 -4.098 1.00 0.00 C ATOM 1109 C CYS A 218 3.530 -6.478 -5.262 1.00 0.00 C ATOM 1110 O CYS A 218 3.059 -7.596 -5.060 1.00 0.00 O ATOM 1111 CB CYS A 218 2.656 -4.503 -3.937 1.00 0.00 C ATOM 1112 SG CYS A 218 1.191 -5.308 -3.190 1.00 0.00 S ATOM 0 H CYS A 218 5.025 -3.851 -4.363 1.00 0.00 H new ATOM 0 HA CYS A 218 3.817 -6.084 -3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.986 -3.676 -3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.394 -4.081 -4.907 1.00 0.00 H new ATOM 0 HG CYS A 218 0.372 -4.398 -2.753 1.00 0.00 H new ATOM 1118 N GLN A 219 3.852 -6.006 -6.459 1.00 0.00 N ATOM 1119 CA GLN A 219 3.663 -6.807 -7.655 1.00 0.00 C ATOM 1120 C GLN A 219 4.516 -8.075 -7.586 1.00 0.00 C ATOM 1121 O GLN A 219 4.192 -9.081 -8.215 1.00 0.00 O ATOM 1122 CB GLN A 219 3.985 -5.996 -8.914 1.00 0.00 C ATOM 1123 CG GLN A 219 2.806 -6.004 -9.888 1.00 0.00 C ATOM 1124 CD GLN A 219 3.262 -5.647 -11.303 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.973 -4.682 -11.529 1.00 0.00 O ATOM 1126 NE2 GLN A 219 2.815 -6.476 -12.242 1.00 0.00 N ATOM 0 H GLN A 219 4.243 -5.078 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 219 2.615 -7.101 -7.710 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.226 -4.970 -8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.867 -6.410 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.338 -6.989 -9.890 1.00 0.00 H new ATOM 0 HG3 GLN A 219 2.050 -5.293 -9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 219 2.223 -7.266 -11.985 1.00 0.00 H new ATOM 0 HE22 GLN A 219 3.064 -6.322 -13.219 1.00 0.00 H new ATOM 1135 N GLY A 220 5.592 -7.985 -6.817 1.00 0.00 N ATOM 1136 CA GLY A 220 6.494 -9.112 -6.658 1.00 0.00 C ATOM 1137 C GLY A 220 5.902 -10.159 -5.711 1.00 0.00 C ATOM 1138 O GLY A 220 6.178 -11.350 -5.847 1.00 0.00 O ATOM 0 H GLY A 220 5.859 -7.149 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.690 -9.565 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.451 -8.764 -6.269 1.00 0.00 H new ATOM 1142 N VAL A 221 5.098 -9.677 -4.775 1.00 0.00 N ATOM 1143 CA VAL A 221 4.465 -10.555 -3.807 1.00 0.00 C ATOM 1144 C VAL A 221 3.840 -11.745 -4.537 1.00 0.00 C ATOM 1145 O VAL A 221 3.203 -11.575 -5.576 1.00 0.00 O ATOM 1146 CB VAL A 221 3.455 -9.769 -2.968 1.00 0.00 C ATOM 1147 CG1 VAL A 221 2.076 -9.766 -3.633 1.00 0.00 C ATOM 1148 CG2 VAL A 221 3.376 -10.321 -1.545 1.00 0.00 C ATOM 0 H VAL A 221 4.870 -8.689 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 221 5.204 -10.952 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 221 3.801 -8.737 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 221 1.376 -9.201 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 221 2.148 -9.304 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.721 -10.791 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 221 2.651 -9.744 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 221 3.066 -11.365 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 221 4.355 -10.248 -1.071 1.00 0.00 H new