USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 186 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 HIS : no HD1:sc= 0.135 K(o=0.13,f=-2.2!) USER MOD Single : A 203 GLN : amide:sc= -0.666 K(o=-0.67,f=-2.5!) USER MOD Single : A 205 TYR OH : rot -74:sc= -2.52! USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.79) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 221 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.394) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 227 TYR OH : rot 104:sc= 1.24 USER MOD Single : A 230 SER OG : rot 124:sc= 0.326 USER MOD Single : A 231 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.22) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 236 LYS NZ :NH3+ 168:sc= -0.02 (180deg=-0.248) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.712 -0.310 -4.100 1.00 0.00 N ATOM 37 CA ILE A 182 -3.195 0.087 -2.804 1.00 0.00 C ATOM 38 C ILE A 182 -1.760 -0.395 -2.606 1.00 0.00 C ATOM 39 O ILE A 182 -1.510 -1.542 -2.234 1.00 0.00 O ATOM 40 CB ILE A 182 -4.094 -0.426 -1.656 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.447 -1.902 -1.857 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.359 0.414 -1.556 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.392 -2.447 -0.810 1.00 0.00 C ATOM 0 HA ILE A 182 -3.197 1.177 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.539 -0.333 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -4.897 -2.028 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.530 -2.491 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.981 0.040 -0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -5.092 1.452 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.912 0.352 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -5.597 -3.497 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -4.936 -2.353 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.325 -1.884 -0.833 1.00 0.00 H new ATOM 55 N VAL A 183 -0.820 0.504 -2.840 1.00 0.00 N ATOM 56 CA VAL A 183 0.591 0.203 -2.667 1.00 0.00 C ATOM 57 C VAL A 183 0.989 0.436 -1.215 1.00 0.00 C ATOM 58 O VAL A 183 1.332 1.547 -0.828 1.00 0.00 O ATOM 59 CB VAL A 183 1.481 1.066 -3.593 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.955 0.278 -4.788 1.00 0.00 C ATOM 61 CG2 VAL A 183 0.735 2.288 -4.074 1.00 0.00 C ATOM 0 H VAL A 183 -1.010 1.456 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 183 0.744 -0.842 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 183 2.345 1.377 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.578 0.913 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.536 -0.580 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 183 1.094 -0.069 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 183 1.383 2.878 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 183 -0.150 1.979 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 183 0.434 2.891 -3.217 1.00 0.00 H new ATOM 71 N VAL A 184 0.913 -0.609 -0.412 1.00 0.00 N ATOM 72 CA VAL A 184 1.236 -0.516 1.002 1.00 0.00 C ATOM 73 C VAL A 184 2.745 -0.499 1.218 1.00 0.00 C ATOM 74 O VAL A 184 3.438 -1.433 0.830 1.00 0.00 O ATOM 75 CB VAL A 184 0.640 -1.713 1.778 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.580 -1.412 3.268 1.00 0.00 C ATOM 77 CG2 VAL A 184 -0.745 -2.058 1.248 1.00 0.00 C ATOM 0 H VAL A 184 0.628 -1.540 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 184 0.806 0.415 1.372 1.00 0.00 H new ATOM 0 HB VAL A 184 1.291 -2.574 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.157 -2.267 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.586 -1.217 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -0.046 -0.536 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.148 -2.903 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.404 -1.198 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -0.676 -2.321 0.192 1.00 0.00 H new ATOM 87 N ALA A 185 3.249 0.551 1.854 1.00 0.00 N ATOM 88 CA ALA A 185 4.677 0.649 2.131 1.00 0.00 C ATOM 89 C ALA A 185 5.079 -0.425 3.140 1.00 0.00 C ATOM 90 O ALA A 185 4.549 -0.473 4.252 1.00 0.00 O ATOM 91 CB ALA A 185 5.020 2.026 2.672 1.00 0.00 C ATOM 0 H ALA A 185 2.696 1.341 2.186 1.00 0.00 H new ATOM 0 HA ALA A 185 5.228 0.496 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.090 2.082 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.749 2.784 1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.467 2.202 3.595 1.00 0.00 H new ATOM 97 N MET A 186 6.002 -1.289 2.746 1.00 0.00 N ATOM 98 CA MET A 186 6.466 -2.368 3.607 1.00 0.00 C ATOM 99 C MET A 186 7.554 -1.855 4.543 1.00 0.00 C ATOM 100 O MET A 186 7.478 -2.018 5.761 1.00 0.00 O ATOM 101 CB MET A 186 7.000 -3.524 2.749 1.00 0.00 C ATOM 102 CG MET A 186 6.779 -4.907 3.353 1.00 0.00 C ATOM 103 SD MET A 186 7.592 -5.126 4.947 1.00 0.00 S ATOM 104 CE MET A 186 7.230 -6.845 5.274 1.00 0.00 C ATOM 0 H MET A 186 6.448 -1.264 1.829 1.00 0.00 H new ATOM 0 HA MET A 186 5.633 -2.732 4.208 1.00 0.00 H new ATOM 0 HB2 MET A 186 6.521 -3.487 1.771 1.00 0.00 H new ATOM 0 HB3 MET A 186 8.068 -3.378 2.587 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.709 -5.077 3.472 1.00 0.00 H new ATOM 0 HG3 MET A 186 7.147 -5.662 2.658 1.00 0.00 H new ATOM 0 HE1 MET A 186 7.668 -7.134 6.230 1.00 0.00 H new ATOM 0 HE2 MET A 186 6.150 -6.989 5.311 1.00 0.00 H new ATOM 0 HE3 MET A 186 7.651 -7.463 4.481 1.00 0.00 H new ATOM 114 N TYR A 187 8.564 -1.225 3.963 1.00 0.00 N ATOM 115 CA TYR A 187 9.663 -0.679 4.742 1.00 0.00 C ATOM 116 C TYR A 187 9.564 0.841 4.768 1.00 0.00 C ATOM 117 O TYR A 187 8.923 1.439 3.902 1.00 0.00 O ATOM 118 CB TYR A 187 11.013 -1.097 4.145 1.00 0.00 C ATOM 119 CG TYR A 187 11.050 -2.521 3.621 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.856 -3.610 4.463 1.00 0.00 C ATOM 121 CD2 TYR A 187 11.270 -2.768 2.274 1.00 0.00 C ATOM 122 CE1 TYR A 187 10.882 -4.905 3.972 1.00 0.00 C ATOM 123 CE2 TYR A 187 11.298 -4.057 1.776 1.00 0.00 C ATOM 124 CZ TYR A 187 11.102 -5.121 2.629 1.00 0.00 C ATOM 125 OH TYR A 187 11.126 -6.406 2.136 1.00 0.00 O ATOM 0 H TYR A 187 8.645 -1.080 2.957 1.00 0.00 H new ATOM 0 HA TYR A 187 9.597 -1.070 5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 187 11.264 -0.416 3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.785 -0.982 4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 187 10.682 -3.444 5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 187 11.422 -1.937 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 187 10.731 -5.741 4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 187 11.473 -4.229 0.724 1.00 0.00 H new ATOM 0 HH TYR A 187 11.291 -6.383 1.170 1.00 0.00 H new ATOM 135 N ASP A 188 10.202 1.464 5.750 1.00 0.00 N ATOM 136 CA ASP A 188 10.177 2.919 5.858 1.00 0.00 C ATOM 137 C ASP A 188 11.142 3.541 4.859 1.00 0.00 C ATOM 138 O ASP A 188 12.135 2.919 4.471 1.00 0.00 O ATOM 139 CB ASP A 188 10.540 3.378 7.273 1.00 0.00 C ATOM 140 CG ASP A 188 9.576 2.872 8.320 1.00 0.00 C ATOM 141 OD1 ASP A 188 8.380 3.211 8.245 1.00 0.00 O ATOM 142 OD2 ASP A 188 10.023 2.143 9.229 1.00 0.00 O ATOM 0 H ASP A 188 10.739 0.991 6.477 1.00 0.00 H new ATOM 0 HA ASP A 188 9.162 3.249 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 188 11.545 3.033 7.515 1.00 0.00 H new ATOM 0 HB3 ASP A 188 10.561 4.467 7.302 1.00 0.00 H new ATOM 147 N PHE A 189 10.853 4.767 4.448 1.00 0.00 N ATOM 148 CA PHE A 189 11.702 5.480 3.494 1.00 0.00 C ATOM 149 C PHE A 189 11.753 6.962 3.838 1.00 0.00 C ATOM 150 O PHE A 189 10.742 7.549 4.226 1.00 0.00 O ATOM 151 CB PHE A 189 11.179 5.285 2.065 1.00 0.00 C ATOM 152 CG PHE A 189 12.027 5.908 0.993 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.366 5.587 0.874 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.478 6.815 0.100 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.145 6.153 -0.117 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.247 7.384 -0.893 1.00 0.00 C ATOM 157 CZ PHE A 189 13.586 7.056 -1.002 1.00 0.00 C ATOM 0 H PHE A 189 10.036 5.293 4.759 1.00 0.00 H new ATOM 0 HA PHE A 189 12.711 5.072 3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.095 4.217 1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.174 5.701 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 189 13.809 4.885 1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.434 7.079 0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.189 5.890 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 189 11.804 8.085 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.193 7.504 -1.775 1.00 0.00 H new ATOM 167 N GLN A 190 12.928 7.554 3.698 1.00 0.00 N ATOM 168 CA GLN A 190 13.119 8.965 4.000 1.00 0.00 C ATOM 169 C GLN A 190 13.267 9.777 2.713 1.00 0.00 C ATOM 170 O GLN A 190 13.826 9.291 1.733 1.00 0.00 O ATOM 171 CB GLN A 190 14.369 9.128 4.872 1.00 0.00 C ATOM 172 CG GLN A 190 14.717 10.566 5.211 1.00 0.00 C ATOM 173 CD GLN A 190 16.074 10.681 5.871 1.00 0.00 C ATOM 174 OE1 GLN A 190 17.089 10.307 5.284 1.00 0.00 O ATOM 175 NE2 GLN A 190 16.097 11.191 7.092 1.00 0.00 N ATOM 0 H GLN A 190 13.769 7.076 3.375 1.00 0.00 H new ATOM 0 HA GLN A 190 12.246 9.336 4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 190 14.224 8.574 5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 190 15.216 8.674 4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 190 14.704 11.166 4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 190 13.956 10.977 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 190 15.229 11.487 7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 190 16.983 11.288 7.588 1.00 0.00 H new ATOM 184 N ALA A 191 12.788 11.017 2.726 1.00 0.00 N ATOM 185 CA ALA A 191 12.906 11.887 1.560 1.00 0.00 C ATOM 186 C ALA A 191 14.259 12.579 1.574 1.00 0.00 C ATOM 187 O ALA A 191 14.683 13.096 2.606 1.00 0.00 O ATOM 188 CB ALA A 191 11.794 12.921 1.530 1.00 0.00 C ATOM 0 H ALA A 191 12.317 11.440 3.526 1.00 0.00 H new ATOM 0 HA ALA A 191 12.818 11.273 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 191 11.909 13.554 0.650 1.00 0.00 H new ATOM 0 HB2 ALA A 191 10.829 12.416 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 191 11.845 13.536 2.428 1.00 0.00 H new ATOM 194 N THR A 192 14.946 12.578 0.445 1.00 0.00 N ATOM 195 CA THR A 192 16.257 13.201 0.375 1.00 0.00 C ATOM 196 C THR A 192 16.166 14.613 -0.202 1.00 0.00 C ATOM 197 O THR A 192 17.049 15.437 0.025 1.00 0.00 O ATOM 198 CB THR A 192 17.211 12.328 -0.445 1.00 0.00 C ATOM 199 OG1 THR A 192 18.555 12.715 -0.230 1.00 0.00 O ATOM 200 CG2 THR A 192 16.957 12.381 -1.933 1.00 0.00 C ATOM 0 H THR A 192 14.623 12.158 -0.427 1.00 0.00 H new ATOM 0 HA THR A 192 16.653 13.288 1.387 1.00 0.00 H new ATOM 0 HB THR A 192 17.027 11.310 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 192 19.149 12.144 -0.761 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.671 11.738 -2.447 1.00 0.00 H new ATOM 0 HG22 THR A 192 15.944 12.038 -2.142 1.00 0.00 H new ATOM 0 HG23 THR A 192 17.072 13.406 -2.286 1.00 0.00 H new ATOM 208 N GLU A 193 15.102 14.897 -0.948 1.00 0.00 N ATOM 209 CA GLU A 193 14.942 16.219 -1.538 1.00 0.00 C ATOM 210 C GLU A 193 13.500 16.719 -1.441 1.00 0.00 C ATOM 211 O GLU A 193 13.161 17.476 -0.533 1.00 0.00 O ATOM 212 CB GLU A 193 15.408 16.206 -3.002 1.00 0.00 C ATOM 213 CG GLU A 193 15.303 17.557 -3.702 1.00 0.00 C ATOM 214 CD GLU A 193 16.121 18.632 -3.025 1.00 0.00 C ATOM 215 OE1 GLU A 193 17.351 18.468 -2.931 1.00 0.00 O ATOM 216 OE2 GLU A 193 15.533 19.635 -2.578 1.00 0.00 O ATOM 0 H GLU A 193 14.350 14.240 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 193 15.564 16.911 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 193 16.444 15.869 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 193 14.816 15.476 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 193 15.633 17.452 -4.735 1.00 0.00 H new ATOM 0 HG3 GLU A 193 14.258 17.866 -3.731 1.00 0.00 H new ATOM 223 N ALA A 194 12.662 16.306 -2.389 1.00 0.00 N ATOM 224 CA ALA A 194 11.263 16.732 -2.428 1.00 0.00 C ATOM 225 C ALA A 194 10.418 15.742 -3.210 1.00 0.00 C ATOM 226 O ALA A 194 9.332 15.366 -2.775 1.00 0.00 O ATOM 227 CB ALA A 194 11.139 18.116 -3.052 1.00 0.00 C ATOM 0 H ALA A 194 12.928 15.674 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 194 10.899 16.772 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 194 10.091 18.414 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 194 11.709 18.834 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 194 11.528 18.092 -4.070 1.00 0.00 H new ATOM 233 N HIS A 195 10.932 15.320 -4.366 1.00 0.00 N ATOM 234 CA HIS A 195 10.234 14.355 -5.218 1.00 0.00 C ATOM 235 C HIS A 195 10.078 13.029 -4.490 1.00 0.00 C ATOM 236 O HIS A 195 9.119 12.291 -4.718 1.00 0.00 O ATOM 237 CB HIS A 195 10.970 14.153 -6.549 1.00 0.00 C ATOM 238 CG HIS A 195 12.443 13.920 -6.403 1.00 0.00 C ATOM 239 ND1 HIS A 195 13.339 14.928 -6.113 1.00 0.00 N ATOM 240 CD2 HIS A 195 13.172 12.782 -6.485 1.00 0.00 C ATOM 241 CE1 HIS A 195 14.554 14.420 -6.019 1.00 0.00 C ATOM 242 NE2 HIS A 195 14.480 13.121 -6.245 1.00 0.00 N ATOM 0 H HIS A 195 11.831 15.632 -4.735 1.00 0.00 H new ATOM 0 HA HIS A 195 9.245 14.754 -5.442 1.00 0.00 H new ATOM 0 HB2 HIS A 195 10.529 13.304 -7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 195 10.812 15.030 -7.176 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.795 11.793 -6.699 1.00 0.00 H new ATOM 0 HE1 HIS A 195 15.455 14.972 -5.795 1.00 0.00 H new ATOM 0 HE2 HIS A 195 15.268 12.474 -6.242 1.00 0.00 H new ATOM 251 N ASP A 196 11.015 12.753 -3.590 1.00 0.00 N ATOM 252 CA ASP A 196 10.979 11.541 -2.788 1.00 0.00 C ATOM 253 C ASP A 196 9.940 11.700 -1.689 1.00 0.00 C ATOM 254 O ASP A 196 9.899 12.733 -1.015 1.00 0.00 O ATOM 255 CB ASP A 196 12.346 11.261 -2.155 1.00 0.00 C ATOM 256 CG ASP A 196 13.366 10.755 -3.145 1.00 0.00 C ATOM 257 OD1 ASP A 196 13.009 10.543 -4.320 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.526 10.555 -2.742 1.00 0.00 O ATOM 0 H ASP A 196 11.813 13.358 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 196 10.720 10.703 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.720 12.175 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 196 12.227 10.527 -1.358 1.00 0.00 H new ATOM 263 N LEU A 197 9.108 10.690 -1.499 1.00 0.00 N ATOM 264 CA LEU A 197 8.082 10.749 -0.467 1.00 0.00 C ATOM 265 C LEU A 197 8.417 9.785 0.662 1.00 0.00 C ATOM 266 O LEU A 197 9.020 8.736 0.441 1.00 0.00 O ATOM 267 CB LEU A 197 6.700 10.442 -1.057 1.00 0.00 C ATOM 268 CG LEU A 197 5.697 11.601 -0.982 1.00 0.00 C ATOM 269 CD1 LEU A 197 5.326 11.883 0.464 1.00 0.00 C ATOM 270 CD2 LEU A 197 6.267 12.852 -1.634 1.00 0.00 C ATOM 0 H LEU A 197 9.120 9.825 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 197 8.055 11.760 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.822 10.153 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.280 9.582 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 197 4.798 11.311 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 197 4.614 12.707 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 197 4.876 10.993 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 197 6.222 12.151 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 197 5.539 13.660 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 197 7.182 13.146 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.489 12.647 -2.681 1.00 0.00 H new ATOM 282 N ARG A 198 8.037 10.156 1.879 1.00 0.00 N ATOM 283 CA ARG A 198 8.310 9.330 3.050 1.00 0.00 C ATOM 284 C ARG A 198 7.383 8.128 3.111 1.00 0.00 C ATOM 285 O ARG A 198 6.174 8.248 2.913 1.00 0.00 O ATOM 286 CB ARG A 198 8.173 10.144 4.340 1.00 0.00 C ATOM 287 CG ARG A 198 9.492 10.665 4.882 1.00 0.00 C ATOM 288 CD ARG A 198 9.672 10.268 6.341 1.00 0.00 C ATOM 289 NE ARG A 198 9.501 8.826 6.532 1.00 0.00 N ATOM 290 CZ ARG A 198 9.500 8.222 7.720 1.00 0.00 C ATOM 291 NH1 ARG A 198 9.745 8.918 8.823 1.00 0.00 N ATOM 292 NH2 ARG A 198 9.251 6.922 7.801 1.00 0.00 N ATOM 0 H ARG A 198 7.539 11.023 2.081 1.00 0.00 H new ATOM 0 HA ARG A 198 9.336 8.975 2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 198 7.508 10.988 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 198 7.698 9.524 5.101 1.00 0.00 H new ATOM 0 HG2 ARG A 198 10.316 10.269 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 198 9.525 11.751 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 198 10.664 10.565 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 198 8.951 10.805 6.957 1.00 0.00 H new ATOM 0 HE ARG A 198 9.374 8.247 5.702 1.00 0.00 H new ATOM 0 HH11 ARG A 198 9.935 9.918 8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 198 9.743 8.453 9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 198 9.061 6.386 6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 198 9.250 6.459 8.710 1.00 0.00 H new ATOM 306 N LEU A 199 7.961 6.971 3.407 1.00 0.00 N ATOM 307 CA LEU A 199 7.200 5.735 3.516 1.00 0.00 C ATOM 308 C LEU A 199 7.044 5.323 4.962 1.00 0.00 C ATOM 309 O LEU A 199 7.997 5.413 5.747 1.00 0.00 O ATOM 310 CB LEU A 199 7.874 4.587 2.765 1.00 0.00 C ATOM 311 CG LEU A 199 7.585 4.500 1.267 1.00 0.00 C ATOM 312 CD1 LEU A 199 8.129 5.708 0.528 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.172 3.217 0.695 1.00 0.00 C ATOM 0 H LEU A 199 8.961 6.864 3.577 1.00 0.00 H new ATOM 0 HA LEU A 199 6.224 5.933 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.952 4.674 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.569 3.649 3.228 1.00 0.00 H new ATOM 0 HG LEU A 199 6.504 4.488 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.907 5.615 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.664 6.613 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 199 9.208 5.765 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 199 7.961 3.165 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 199 9.251 3.209 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 199 7.726 2.358 1.196 1.00 0.00 H new ATOM 325 N GLU A 200 5.856 4.846 5.297 1.00 0.00 N ATOM 326 CA GLU A 200 5.562 4.376 6.644 1.00 0.00 C ATOM 327 C GLU A 200 5.120 2.917 6.567 1.00 0.00 C ATOM 328 O GLU A 200 4.337 2.562 5.688 1.00 0.00 O ATOM 329 CB GLU A 200 4.442 5.210 7.280 1.00 0.00 C ATOM 330 CG GLU A 200 4.500 6.707 6.983 1.00 0.00 C ATOM 331 CD GLU A 200 5.738 7.374 7.529 1.00 0.00 C ATOM 332 OE1 GLU A 200 6.041 7.176 8.725 1.00 0.00 O ATOM 333 OE2 GLU A 200 6.395 8.114 6.772 1.00 0.00 O ATOM 0 H GLU A 200 5.072 4.773 4.649 1.00 0.00 H new ATOM 0 HA GLU A 200 6.457 4.474 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 200 3.483 4.824 6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 200 4.473 5.068 8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 200 4.459 6.859 5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.619 7.189 7.406 1.00 0.00 H new ATOM 340 N ARG A 201 5.621 2.072 7.464 1.00 0.00 N ATOM 341 CA ARG A 201 5.256 0.651 7.451 1.00 0.00 C ATOM 342 C ARG A 201 3.753 0.459 7.642 1.00 0.00 C ATOM 343 O ARG A 201 3.228 0.666 8.734 1.00 0.00 O ATOM 344 CB ARG A 201 5.995 -0.130 8.539 1.00 0.00 C ATOM 345 CG ARG A 201 7.502 0.033 8.516 1.00 0.00 C ATOM 346 CD ARG A 201 8.162 -1.016 9.392 1.00 0.00 C ATOM 347 NE ARG A 201 9.544 -0.679 9.734 1.00 0.00 N ATOM 348 CZ ARG A 201 10.406 -1.549 10.265 1.00 0.00 C ATOM 349 NH1 ARG A 201 10.076 -2.836 10.362 1.00 0.00 N ATOM 350 NH2 ARG A 201 11.600 -1.139 10.681 1.00 0.00 N ATOM 0 H ARG A 201 6.273 2.338 8.202 1.00 0.00 H new ATOM 0 HA ARG A 201 5.548 0.267 6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.623 0.188 9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.755 -1.188 8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.868 -0.056 7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.772 1.030 8.866 1.00 0.00 H new ATOM 0 HD2 ARG A 201 7.584 -1.134 10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 201 8.143 -1.977 8.878 1.00 0.00 H new ATOM 0 HE ARG A 201 9.866 0.272 9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 201 9.166 -3.155 10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 201 10.734 -3.502 10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 201 11.860 -0.157 10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 201 12.256 -1.807 11.086 1.00 0.00 H new ATOM 364 N GLY A 202 3.061 0.056 6.584 1.00 0.00 N ATOM 365 CA GLY A 202 1.629 -0.162 6.680 1.00 0.00 C ATOM 366 C GLY A 202 0.816 0.953 6.063 1.00 0.00 C ATOM 367 O GLY A 202 -0.417 0.898 6.059 1.00 0.00 O ATOM 0 H GLY A 202 3.463 -0.124 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.377 -1.102 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.353 -0.267 7.729 1.00 0.00 H new ATOM 371 N GLN A 203 1.486 1.967 5.535 1.00 0.00 N ATOM 372 CA GLN A 203 0.790 3.084 4.917 1.00 0.00 C ATOM 373 C GLN A 203 0.317 2.694 3.522 1.00 0.00 C ATOM 374 O GLN A 203 1.112 2.275 2.682 1.00 0.00 O ATOM 375 CB GLN A 203 1.700 4.315 4.857 1.00 0.00 C ATOM 376 CG GLN A 203 1.002 5.588 4.400 1.00 0.00 C ATOM 377 CD GLN A 203 -0.031 6.085 5.397 1.00 0.00 C ATOM 378 OE1 GLN A 203 -1.039 5.426 5.642 1.00 0.00 O ATOM 379 NE2 GLN A 203 0.218 7.249 5.987 1.00 0.00 N ATOM 0 H GLN A 203 2.503 2.039 5.522 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.081 3.336 5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.128 4.484 5.845 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.529 4.107 4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.747 6.367 4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.516 5.406 3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.066 7.766 5.757 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -0.439 7.625 6.670 1.00 0.00 H new ATOM 388 N GLU A 204 -0.981 2.825 3.282 1.00 0.00 N ATOM 389 CA GLU A 204 -1.554 2.481 1.991 1.00 0.00 C ATOM 390 C GLU A 204 -1.447 3.657 1.030 1.00 0.00 C ATOM 391 O GLU A 204 -1.889 4.767 1.331 1.00 0.00 O ATOM 392 CB GLU A 204 -3.011 2.040 2.161 1.00 0.00 C ATOM 393 CG GLU A 204 -3.154 0.795 3.023 1.00 0.00 C ATOM 394 CD GLU A 204 -4.589 0.389 3.253 1.00 0.00 C ATOM 395 OE1 GLU A 204 -5.495 1.082 2.750 1.00 0.00 O ATOM 396 OE2 GLU A 204 -4.816 -0.627 3.940 1.00 0.00 O ATOM 0 H GLU A 204 -1.656 3.167 3.966 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.992 1.649 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.582 2.854 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -3.445 1.848 1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -2.622 -0.030 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.675 0.971 3.986 1.00 0.00 H new ATOM 403 N TYR A 205 -0.829 3.400 -0.114 1.00 0.00 N ATOM 404 CA TYR A 205 -0.614 4.416 -1.141 1.00 0.00 C ATOM 405 C TYR A 205 -1.441 4.121 -2.384 1.00 0.00 C ATOM 406 O TYR A 205 -2.022 3.044 -2.517 1.00 0.00 O ATOM 407 CB TYR A 205 0.864 4.427 -1.539 1.00 0.00 C ATOM 408 CG TYR A 205 1.792 4.896 -0.450 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.442 5.937 0.392 1.00 0.00 C ATOM 410 CD2 TYR A 205 3.021 4.284 -0.264 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.295 6.357 1.393 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.878 4.695 0.736 1.00 0.00 C ATOM 413 CZ TYR A 205 3.510 5.732 1.564 1.00 0.00 C ATOM 414 OH TYR A 205 4.356 6.138 2.569 1.00 0.00 O ATOM 0 H TYR A 205 -0.461 2.481 -0.359 1.00 0.00 H new ATOM 0 HA TYR A 205 -0.915 5.381 -0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.155 3.421 -1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.990 5.070 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.488 6.428 0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 205 3.313 3.471 -0.913 1.00 0.00 H new ATOM 0 HE1 TYR A 205 2.010 7.173 2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.832 4.206 0.869 1.00 0.00 H new ATOM 0 HH TYR A 205 4.763 6.996 2.328 1.00 0.00 H new ATOM 424 N ILE A 206 -1.449 5.068 -3.312 1.00 0.00 N ATOM 425 CA ILE A 206 -2.156 4.904 -4.576 1.00 0.00 C ATOM 426 C ILE A 206 -1.134 4.969 -5.707 1.00 0.00 C ATOM 427 O ILE A 206 -0.575 6.030 -5.977 1.00 0.00 O ATOM 428 CB ILE A 206 -3.241 5.994 -4.795 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.229 6.042 -3.618 1.00 0.00 C ATOM 430 CG2 ILE A 206 -3.997 5.743 -6.100 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.780 6.899 -2.449 1.00 0.00 C ATOM 0 H ILE A 206 -0.971 5.963 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.668 3.942 -4.559 1.00 0.00 H new ATOM 0 HB ILE A 206 -2.735 6.957 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.186 6.417 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.399 5.026 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -4.753 6.516 -6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.298 5.767 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.480 4.767 -6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.538 6.873 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.839 6.514 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -3.639 7.927 -2.784 1.00 0.00 H new ATOM 443 N ILE A 207 -0.850 3.832 -6.333 1.00 0.00 N ATOM 444 CA ILE A 207 0.143 3.779 -7.393 1.00 0.00 C ATOM 445 C ILE A 207 -0.299 4.598 -8.606 1.00 0.00 C ATOM 446 O ILE A 207 -1.402 4.424 -9.133 1.00 0.00 O ATOM 447 CB ILE A 207 0.461 2.305 -7.754 1.00 0.00 C ATOM 448 CG1 ILE A 207 1.518 2.189 -8.858 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.802 1.542 -8.124 1.00 0.00 C ATOM 450 CD1 ILE A 207 0.964 2.187 -10.270 1.00 0.00 C ATOM 0 H ILE A 207 -1.294 2.938 -6.123 1.00 0.00 H new ATOM 0 HA ILE A 207 1.066 4.235 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 207 0.884 1.848 -6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 207 2.219 3.018 -8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 207 2.085 1.271 -8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -0.545 0.512 -8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -1.493 1.551 -7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -1.274 2.015 -8.985 1.00 0.00 H new ATOM 0 HD11 ILE A 207 1.784 2.102 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 207 0.286 1.342 -10.394 1.00 0.00 H new ATOM 0 HD13 ILE A 207 0.423 3.116 -10.450 1.00 0.00 H new ATOM 462 N LEU A 208 0.565 5.516 -9.023 1.00 0.00 N ATOM 463 CA LEU A 208 0.280 6.396 -10.146 1.00 0.00 C ATOM 464 C LEU A 208 1.149 6.042 -11.350 1.00 0.00 C ATOM 465 O LEU A 208 0.686 5.410 -12.296 1.00 0.00 O ATOM 466 CB LEU A 208 0.540 7.847 -9.735 1.00 0.00 C ATOM 467 CG LEU A 208 0.008 8.237 -8.357 1.00 0.00 C ATOM 468 CD1 LEU A 208 0.779 9.416 -7.816 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.465 8.579 -8.428 1.00 0.00 C ATOM 0 H LEU A 208 1.477 5.670 -8.594 1.00 0.00 H new ATOM 0 HA LEU A 208 -0.766 6.271 -10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.615 8.027 -9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 208 0.092 8.505 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 208 0.137 7.386 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 208 0.391 9.685 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 208 1.833 9.153 -7.730 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.671 10.263 -8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -1.823 8.854 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.612 9.416 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -2.022 7.714 -8.788 1.00 0.00 H new ATOM 481 N GLU A 209 2.418 6.449 -11.307 1.00 0.00 N ATOM 482 CA GLU A 209 3.346 6.171 -12.399 1.00 0.00 C ATOM 483 C GLU A 209 4.130 4.888 -12.166 1.00 0.00 C ATOM 484 O GLU A 209 5.014 4.831 -11.309 1.00 0.00 O ATOM 485 CB GLU A 209 4.340 7.318 -12.587 1.00 0.00 C ATOM 486 CG GLU A 209 3.730 8.603 -13.113 1.00 0.00 C ATOM 487 CD GLU A 209 4.784 9.596 -13.551 1.00 0.00 C ATOM 488 OE1 GLU A 209 5.568 10.053 -12.700 1.00 0.00 O ATOM 489 OE2 GLU A 209 4.842 9.903 -14.759 1.00 0.00 O ATOM 0 H GLU A 209 2.824 6.970 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 209 2.736 6.059 -13.295 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.821 7.525 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 209 5.122 6.995 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 209 3.075 8.375 -13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 209 3.109 9.052 -12.338 1.00 0.00 H new ATOM 496 N LYS A 210 3.832 3.869 -12.953 1.00 0.00 N ATOM 497 CA LYS A 210 4.548 2.613 -12.849 1.00 0.00 C ATOM 498 C LYS A 210 5.683 2.613 -13.861 1.00 0.00 C ATOM 499 O LYS A 210 5.476 2.311 -15.037 1.00 0.00 O ATOM 500 CB LYS A 210 3.624 1.417 -13.105 1.00 0.00 C ATOM 501 CG LYS A 210 4.303 0.069 -12.876 1.00 0.00 C ATOM 502 CD LYS A 210 3.453 -1.099 -13.343 1.00 0.00 C ATOM 503 CE LYS A 210 4.227 -2.403 -13.223 1.00 0.00 C ATOM 504 NZ LYS A 210 3.492 -3.556 -13.810 1.00 0.00 N ATOM 0 H LYS A 210 3.103 3.887 -13.667 1.00 0.00 H new ATOM 0 HA LYS A 210 4.940 2.516 -11.837 1.00 0.00 H new ATOM 0 HB2 LYS A 210 2.754 1.493 -12.453 1.00 0.00 H new ATOM 0 HB3 LYS A 210 3.259 1.462 -14.131 1.00 0.00 H new ATOM 0 HG2 LYS A 210 5.257 0.053 -13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 210 4.523 -0.048 -11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 210 2.542 -1.154 -12.748 1.00 0.00 H new ATOM 0 HD3 LYS A 210 3.149 -0.944 -14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 210 5.190 -2.298 -13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 210 4.433 -2.604 -12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 4.060 -4.420 -13.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 2.584 -3.676 -13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 3.317 -3.379 -14.820 1.00 0.00 H new ATOM 518 N ASN A 211 6.876 2.968 -13.404 1.00 0.00 N ATOM 519 CA ASN A 211 8.044 3.014 -14.277 1.00 0.00 C ATOM 520 C ASN A 211 8.484 1.596 -14.614 1.00 0.00 C ATOM 521 O ASN A 211 8.072 1.027 -15.625 1.00 0.00 O ATOM 522 CB ASN A 211 9.194 3.771 -13.599 1.00 0.00 C ATOM 523 CG ASN A 211 8.868 5.218 -13.284 1.00 0.00 C ATOM 524 OD1 ASN A 211 9.609 5.883 -12.562 1.00 0.00 O ATOM 525 ND2 ASN A 211 7.772 5.721 -13.831 1.00 0.00 N ATOM 0 H ASN A 211 7.062 3.228 -12.435 1.00 0.00 H new ATOM 0 HA ASN A 211 7.778 3.540 -15.194 1.00 0.00 H new ATOM 0 HB2 ASN A 211 9.460 3.258 -12.675 1.00 0.00 H new ATOM 0 HB3 ASN A 211 10.071 3.738 -14.246 1.00 0.00 H new ATOM 0 HD21 ASN A 211 7.516 6.693 -13.659 1.00 0.00 H new ATOM 0 HD22 ASN A 211 7.184 5.136 -14.424 1.00 0.00 H new ATOM 532 N ASP A 212 9.291 1.022 -13.739 1.00 0.00 N ATOM 533 CA ASP A 212 9.768 -0.343 -13.908 1.00 0.00 C ATOM 534 C ASP A 212 9.452 -1.110 -12.631 1.00 0.00 C ATOM 535 O ASP A 212 8.457 -0.827 -11.973 1.00 0.00 O ATOM 536 CB ASP A 212 11.280 -0.346 -14.192 1.00 0.00 C ATOM 537 CG ASP A 212 11.735 -1.547 -14.998 1.00 0.00 C ATOM 538 OD1 ASP A 212 11.657 -2.679 -14.491 1.00 0.00 O ATOM 539 OD2 ASP A 212 12.171 -1.355 -16.149 1.00 0.00 O ATOM 0 H ASP A 212 9.633 1.484 -12.896 1.00 0.00 H new ATOM 0 HA ASP A 212 9.275 -0.819 -14.756 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.544 0.565 -14.729 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.821 -0.326 -13.246 1.00 0.00 H new ATOM 544 N LEU A 213 10.297 -2.052 -12.261 1.00 0.00 N ATOM 545 CA LEU A 213 10.087 -2.805 -11.035 1.00 0.00 C ATOM 546 C LEU A 213 10.796 -2.103 -9.883 1.00 0.00 C ATOM 547 O LEU A 213 10.846 -2.608 -8.762 1.00 0.00 O ATOM 548 CB LEU A 213 10.610 -4.236 -11.186 1.00 0.00 C ATOM 549 CG LEU A 213 10.065 -5.001 -12.396 1.00 0.00 C ATOM 550 CD1 LEU A 213 10.707 -6.379 -12.476 1.00 0.00 C ATOM 551 CD2 LEU A 213 8.546 -5.110 -12.336 1.00 0.00 C ATOM 0 H LEU A 213 11.131 -2.315 -12.786 1.00 0.00 H new ATOM 0 HA LEU A 213 9.018 -2.854 -10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.697 -4.204 -11.255 1.00 0.00 H new ATOM 0 HB3 LEU A 213 10.365 -4.794 -10.282 1.00 0.00 H new ATOM 0 HG LEU A 213 10.320 -4.446 -13.299 1.00 0.00 H new ATOM 0 HD11 LEU A 213 10.313 -6.915 -13.340 1.00 0.00 H new ATOM 0 HD12 LEU A 213 11.787 -6.272 -12.578 1.00 0.00 H new ATOM 0 HD13 LEU A 213 10.482 -6.939 -11.568 1.00 0.00 H new ATOM 0 HD21 LEU A 213 8.186 -5.658 -13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 213 8.255 -5.639 -11.429 1.00 0.00 H new ATOM 0 HD23 LEU A 213 8.110 -4.111 -12.329 1.00 0.00 H new ATOM 563 N HIS A 214 11.369 -0.942 -10.188 1.00 0.00 N ATOM 564 CA HIS A 214 12.114 -0.167 -9.207 1.00 0.00 C ATOM 565 C HIS A 214 11.329 1.050 -8.728 1.00 0.00 C ATOM 566 O HIS A 214 10.761 1.041 -7.637 1.00 0.00 O ATOM 567 CB HIS A 214 13.451 0.282 -9.812 1.00 0.00 C ATOM 568 CG HIS A 214 14.187 -0.810 -10.525 1.00 0.00 C ATOM 569 ND1 HIS A 214 14.687 -1.934 -9.896 1.00 0.00 N ATOM 570 CD2 HIS A 214 14.478 -0.955 -11.836 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.256 -2.717 -10.797 1.00 0.00 C ATOM 572 NE2 HIS A 214 15.140 -2.148 -11.984 1.00 0.00 N ATOM 0 H HIS A 214 11.329 -0.517 -11.114 1.00 0.00 H new ATOM 0 HA HIS A 214 12.292 -0.806 -8.342 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.268 1.100 -10.509 1.00 0.00 H new ATOM 0 HB3 HIS A 214 14.085 0.676 -9.018 1.00 0.00 H new ATOM 0 HD2 HIS A 214 14.234 -0.259 -12.625 1.00 0.00 H new ATOM 0 HE1 HIS A 214 15.736 -3.664 -10.596 1.00 0.00 H new ATOM 0 HE2 HIS A 214 15.485 -2.532 -12.864 1.00 0.00 H new ATOM 581 N TRP A 215 11.318 2.109 -9.533 1.00 0.00 N ATOM 582 CA TRP A 215 10.626 3.340 -9.159 1.00 0.00 C ATOM 583 C TRP A 215 9.135 3.300 -9.472 1.00 0.00 C ATOM 584 O TRP A 215 8.725 3.026 -10.602 1.00 0.00 O ATOM 585 CB TRP A 215 11.255 4.550 -9.854 1.00 0.00 C ATOM 586 CG TRP A 215 12.576 4.944 -9.288 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.810 4.518 -9.683 1.00 0.00 C ATOM 588 CD2 TRP A 215 12.779 5.828 -8.190 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.778 5.115 -8.909 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.165 5.920 -7.979 1.00 0.00 C ATOM 591 CE3 TRP A 215 11.916 6.560 -7.373 1.00 0.00 C ATOM 592 CZ2 TRP A 215 14.707 6.715 -6.971 1.00 0.00 C ATOM 593 CZ3 TRP A 215 12.452 7.349 -6.378 1.00 0.00 C ATOM 594 CH2 TRP A 215 13.835 7.423 -6.183 1.00 0.00 C ATOM 0 H TRP A 215 11.777 2.141 -10.443 1.00 0.00 H new ATOM 0 HA TRP A 215 10.737 3.432 -8.079 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.375 4.327 -10.914 1.00 0.00 H new ATOM 0 HB3 TRP A 215 10.571 5.396 -9.782 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.999 3.817 -10.483 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.784 4.982 -9.009 1.00 0.00 H new ATOM 0 HE3 TRP A 215 10.847 6.509 -7.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 15.774 6.772 -6.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 11.794 7.919 -5.739 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.225 8.051 -5.395 1.00 0.00 H new ATOM 605 N TRP A 216 8.337 3.611 -8.461 1.00 0.00 N ATOM 606 CA TRP A 216 6.885 3.665 -8.585 1.00 0.00 C ATOM 607 C TRP A 216 6.379 4.953 -7.961 1.00 0.00 C ATOM 608 O TRP A 216 6.489 5.144 -6.753 1.00 0.00 O ATOM 609 CB TRP A 216 6.223 2.480 -7.875 1.00 0.00 C ATOM 610 CG TRP A 216 6.119 1.228 -8.697 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.844 0.898 -9.799 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.247 0.118 -8.446 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.473 -0.339 -10.255 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.494 -0.841 -9.443 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.277 -0.154 -7.473 1.00 0.00 C ATOM 616 CZ2 TRP A 216 4.811 -2.053 -9.495 1.00 0.00 C ATOM 617 CZ3 TRP A 216 3.599 -1.358 -7.525 1.00 0.00 C ATOM 618 CH2 TRP A 216 3.868 -2.294 -8.532 1.00 0.00 C ATOM 0 H TRP A 216 8.679 3.834 -7.526 1.00 0.00 H new ATOM 0 HA TRP A 216 6.631 3.623 -9.644 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.787 2.257 -6.969 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.222 2.776 -7.562 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.602 1.521 -10.249 1.00 0.00 H new ATOM 0 HE1 TRP A 216 6.865 -0.811 -11.070 1.00 0.00 H new ATOM 0 HE3 TRP A 216 4.062 0.564 -6.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.018 -2.778 -10.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 2.851 -1.580 -6.778 1.00 0.00 H new ATOM 0 HH2 TRP A 216 3.320 -3.225 -8.549 1.00 0.00 H new ATOM 629 N ARG A 217 5.830 5.839 -8.769 1.00 0.00 N ATOM 630 CA ARG A 217 5.322 7.098 -8.246 1.00 0.00 C ATOM 631 C ARG A 217 3.966 6.857 -7.607 1.00 0.00 C ATOM 632 O ARG A 217 2.988 6.589 -8.299 1.00 0.00 O ATOM 633 CB ARG A 217 5.219 8.148 -9.356 1.00 0.00 C ATOM 634 CG ARG A 217 5.620 9.552 -8.924 1.00 0.00 C ATOM 635 CD ARG A 217 4.542 10.229 -8.095 1.00 0.00 C ATOM 636 NE ARG A 217 4.868 11.630 -7.835 1.00 0.00 N ATOM 637 CZ ARG A 217 4.893 12.571 -8.779 1.00 0.00 C ATOM 638 NH1 ARG A 217 4.515 12.285 -10.017 1.00 0.00 N ATOM 639 NH2 ARG A 217 5.277 13.800 -8.475 1.00 0.00 N ATOM 0 H ARG A 217 5.724 5.716 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 217 6.013 7.481 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 217 5.850 7.842 -10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.193 8.172 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 217 6.543 9.502 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 217 5.829 10.156 -9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 217 3.587 10.167 -8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.423 9.700 -7.149 1.00 0.00 H new ATOM 0 HE ARG A 217 5.089 11.903 -6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 217 4.204 11.342 -10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 217 4.536 13.008 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 217 5.553 14.026 -7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 217 5.297 14.521 -9.196 1.00 0.00 H new ATOM 653 N ALA A 218 3.918 6.927 -6.281 1.00 0.00 N ATOM 654 CA ALA A 218 2.683 6.693 -5.547 1.00 0.00 C ATOM 655 C ALA A 218 2.123 7.984 -4.972 1.00 0.00 C ATOM 656 O ALA A 218 2.746 9.042 -5.054 1.00 0.00 O ATOM 657 CB ALA A 218 2.909 5.679 -4.440 1.00 0.00 C ATOM 0 H ALA A 218 4.723 7.144 -5.693 1.00 0.00 H new ATOM 0 HA ALA A 218 1.951 6.295 -6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.976 5.515 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 218 3.248 4.738 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.665 6.055 -3.751 1.00 0.00 H new ATOM 663 N ARG A 219 0.936 7.881 -4.400 1.00 0.00 N ATOM 664 CA ARG A 219 0.255 9.020 -3.812 1.00 0.00 C ATOM 665 C ARG A 219 -0.233 8.648 -2.414 1.00 0.00 C ATOM 666 O ARG A 219 -0.705 7.533 -2.208 1.00 0.00 O ATOM 667 CB ARG A 219 -0.925 9.406 -4.709 1.00 0.00 C ATOM 668 CG ARG A 219 -1.269 10.885 -4.696 1.00 0.00 C ATOM 669 CD ARG A 219 -2.104 11.262 -3.483 1.00 0.00 C ATOM 670 NE ARG A 219 -3.344 10.481 -3.384 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.335 10.524 -4.280 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.235 11.307 -5.352 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.427 9.793 -4.100 1.00 0.00 N ATOM 0 H ARG A 219 0.418 7.005 -4.330 1.00 0.00 H new ATOM 0 HA ARG A 219 0.934 9.869 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.700 9.107 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.802 8.839 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.350 11.471 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -1.814 11.139 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.513 11.113 -2.579 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.350 12.323 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.456 9.865 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.400 11.876 -5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -4.993 11.337 -6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.512 9.197 -3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -6.182 9.827 -4.785 1.00 0.00 H new ATOM 687 N ASP A 220 -0.117 9.565 -1.455 1.00 0.00 N ATOM 688 CA ASP A 220 -0.557 9.285 -0.088 1.00 0.00 C ATOM 689 C ASP A 220 -1.431 10.399 0.466 1.00 0.00 C ATOM 690 O ASP A 220 -2.388 10.143 1.199 1.00 0.00 O ATOM 691 CB ASP A 220 0.648 9.060 0.835 1.00 0.00 C ATOM 692 CG ASP A 220 1.510 10.284 1.039 1.00 0.00 C ATOM 693 OD1 ASP A 220 2.447 10.487 0.250 1.00 0.00 O ATOM 694 OD2 ASP A 220 1.242 11.052 1.985 1.00 0.00 O ATOM 0 H ASP A 220 0.273 10.497 -1.595 1.00 0.00 H new ATOM 0 HA ASP A 220 -1.156 8.375 -0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 220 0.289 8.717 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 220 1.263 8.261 0.422 1.00 0.00 H new ATOM 699 N LYS A 221 -1.086 11.631 0.145 1.00 0.00 N ATOM 700 CA LYS A 221 -1.826 12.779 0.648 1.00 0.00 C ATOM 701 C LYS A 221 -3.067 13.097 -0.173 1.00 0.00 C ATOM 702 O LYS A 221 -3.499 12.322 -1.019 1.00 0.00 O ATOM 703 CB LYS A 221 -0.936 14.019 0.677 1.00 0.00 C ATOM 704 CG LYS A 221 0.205 13.957 1.676 1.00 0.00 C ATOM 705 CD LYS A 221 -0.296 13.649 3.085 1.00 0.00 C ATOM 706 CE LYS A 221 0.573 14.304 4.147 1.00 0.00 C ATOM 707 NZ LYS A 221 2.022 14.180 3.842 1.00 0.00 N ATOM 0 H LYS A 221 -0.300 11.866 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 221 -2.146 12.509 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -0.521 14.175 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -1.554 14.888 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 221 0.918 13.192 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 221 0.739 14.907 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -1.323 13.997 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -0.308 12.570 3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 221 0.310 15.359 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 221 0.367 13.847 5.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 2.571 14.271 4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 2.208 13.251 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 2.303 14.931 3.179 1.00 0.00 H new ATOM 721 N TYR A 222 -3.615 14.275 0.093 1.00 0.00 N ATOM 722 CA TYR A 222 -4.796 14.784 -0.590 1.00 0.00 C ATOM 723 C TYR A 222 -4.411 15.400 -1.930 1.00 0.00 C ATOM 724 O TYR A 222 -4.736 16.551 -2.215 1.00 0.00 O ATOM 725 CB TYR A 222 -5.483 15.828 0.297 1.00 0.00 C ATOM 726 CG TYR A 222 -4.504 16.638 1.126 1.00 0.00 C ATOM 727 CD1 TYR A 222 -3.628 17.533 0.525 1.00 0.00 C ATOM 728 CD2 TYR A 222 -4.438 16.482 2.503 1.00 0.00 C ATOM 729 CE1 TYR A 222 -2.713 18.248 1.272 1.00 0.00 C ATOM 730 CE2 TYR A 222 -3.527 17.197 3.259 1.00 0.00 C ATOM 731 CZ TYR A 222 -2.667 18.078 2.638 1.00 0.00 C ATOM 732 OH TYR A 222 -1.754 18.788 3.385 1.00 0.00 O ATOM 0 H TYR A 222 -3.246 14.912 0.799 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.485 13.961 -0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -6.065 16.503 -0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -6.185 15.326 0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -3.663 17.672 -0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -5.109 15.791 2.992 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -2.037 18.937 0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -3.489 17.066 4.330 1.00 0.00 H new ATOM 0 HH TYR A 222 -1.853 18.554 4.331 1.00 0.00 H new ATOM 742 N GLY A 223 -3.702 14.631 -2.740 1.00 0.00 N ATOM 743 CA GLY A 223 -3.265 15.117 -4.031 1.00 0.00 C ATOM 744 C GLY A 223 -1.760 15.109 -4.146 1.00 0.00 C ATOM 745 O GLY A 223 -1.215 15.015 -5.242 1.00 0.00 O ATOM 0 H GLY A 223 -3.420 13.675 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -3.694 14.497 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -3.637 16.130 -4.184 1.00 0.00 H new ATOM 749 N SER A 224 -1.092 15.209 -3.004 1.00 0.00 N ATOM 750 CA SER A 224 0.363 15.211 -2.965 1.00 0.00 C ATOM 751 C SER A 224 0.897 13.813 -3.273 1.00 0.00 C ATOM 752 O SER A 224 0.528 12.835 -2.616 1.00 0.00 O ATOM 753 CB SER A 224 0.853 15.686 -1.595 1.00 0.00 C ATOM 754 OG SER A 224 -0.020 16.674 -1.061 1.00 0.00 O ATOM 0 H SER A 224 -1.537 15.290 -2.090 1.00 0.00 H new ATOM 0 HA SER A 224 0.738 15.899 -3.722 1.00 0.00 H new ATOM 0 HB2 SER A 224 0.913 14.839 -0.911 1.00 0.00 H new ATOM 0 HB3 SER A 224 1.860 16.094 -1.685 1.00 0.00 H new ATOM 0 HG SER A 224 0.310 16.963 -0.185 1.00 0.00 H new ATOM 760 N GLU A 225 1.741 13.731 -4.290 1.00 0.00 N ATOM 761 CA GLU A 225 2.319 12.465 -4.727 1.00 0.00 C ATOM 762 C GLU A 225 3.836 12.493 -4.599 1.00 0.00 C ATOM 763 O GLU A 225 4.422 13.543 -4.337 1.00 0.00 O ATOM 764 CB GLU A 225 1.907 12.210 -6.183 1.00 0.00 C ATOM 765 CG GLU A 225 1.657 13.502 -6.957 1.00 0.00 C ATOM 766 CD GLU A 225 1.258 13.293 -8.406 1.00 0.00 C ATOM 767 OE1 GLU A 225 1.135 12.134 -8.840 1.00 0.00 O ATOM 768 OE2 GLU A 225 1.058 14.298 -9.115 1.00 0.00 O ATOM 0 H GLU A 225 2.045 14.537 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 225 1.948 11.659 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.688 11.637 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 225 1.004 11.600 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 225 0.873 14.067 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 225 2.560 14.112 -6.925 1.00 0.00 H new ATOM 775 N GLY A 226 4.473 11.344 -4.789 1.00 0.00 N ATOM 776 CA GLY A 226 5.918 11.283 -4.691 1.00 0.00 C ATOM 777 C GLY A 226 6.488 9.980 -5.208 1.00 0.00 C ATOM 778 O GLY A 226 5.844 8.936 -5.119 1.00 0.00 O ATOM 0 H GLY A 226 4.017 10.458 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.351 12.111 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.213 11.415 -3.650 1.00 0.00 H new ATOM 782 N TYR A 227 7.702 10.041 -5.749 1.00 0.00 N ATOM 783 CA TYR A 227 8.374 8.854 -6.272 1.00 0.00 C ATOM 784 C TYR A 227 8.779 7.930 -5.132 1.00 0.00 C ATOM 785 O TYR A 227 9.356 8.370 -4.140 1.00 0.00 O ATOM 786 CB TYR A 227 9.585 9.242 -7.122 1.00 0.00 C ATOM 787 CG TYR A 227 9.254 9.300 -8.593 1.00 0.00 C ATOM 788 CD1 TYR A 227 8.978 8.136 -9.298 1.00 0.00 C ATOM 789 CD2 TYR A 227 9.185 10.510 -9.272 1.00 0.00 C ATOM 790 CE1 TYR A 227 8.641 8.173 -10.634 1.00 0.00 C ATOM 791 CE2 TYR A 227 8.853 10.552 -10.614 1.00 0.00 C ATOM 792 CZ TYR A 227 8.580 9.380 -11.288 1.00 0.00 C ATOM 793 OH TYR A 227 8.227 9.417 -12.612 1.00 0.00 O ATOM 0 H TYR A 227 8.242 10.902 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 227 7.676 8.318 -6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 227 9.959 10.213 -6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.386 8.521 -6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 227 9.028 7.184 -8.790 1.00 0.00 H new ATOM 0 HD2 TYR A 227 9.393 11.430 -8.745 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.426 7.257 -11.165 1.00 0.00 H new ATOM 0 HE2 TYR A 227 8.808 11.499 -11.132 1.00 0.00 H new ATOM 0 HH TYR A 227 7.304 9.734 -12.696 1.00 0.00 H new ATOM 803 N ILE A 228 8.429 6.660 -5.262 1.00 0.00 N ATOM 804 CA ILE A 228 8.708 5.685 -4.224 1.00 0.00 C ATOM 805 C ILE A 228 9.336 4.417 -4.782 1.00 0.00 C ATOM 806 O ILE A 228 8.846 3.856 -5.760 1.00 0.00 O ATOM 807 CB ILE A 228 7.394 5.283 -3.525 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.710 6.515 -2.920 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.631 4.209 -2.471 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.479 6.197 -2.105 1.00 0.00 C ATOM 0 H ILE A 228 7.950 6.281 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 228 9.406 6.152 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 228 6.728 4.857 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.425 7.041 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.434 7.196 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.684 3.949 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 228 8.056 3.323 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 228 8.322 4.585 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 228 5.054 7.121 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.743 5.699 -2.736 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.750 5.541 -1.277 1.00 0.00 H new ATOM 822 N PRO A 229 10.403 3.911 -4.145 1.00 0.00 N ATOM 823 CA PRO A 229 11.023 2.672 -4.574 1.00 0.00 C ATOM 824 C PRO A 229 10.127 1.492 -4.237 1.00 0.00 C ATOM 825 O PRO A 229 10.069 1.056 -3.089 1.00 0.00 O ATOM 826 CB PRO A 229 12.319 2.594 -3.769 1.00 0.00 C ATOM 827 CG PRO A 229 12.083 3.445 -2.560 1.00 0.00 C ATOM 828 CD PRO A 229 11.050 4.476 -2.943 1.00 0.00 C ATOM 0 HA PRO A 229 11.197 2.645 -5.650 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.547 1.566 -3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.166 2.961 -4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 229 11.732 2.839 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 229 13.008 3.925 -2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.330 4.635 -2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.510 5.441 -3.155 1.00 0.00 H new ATOM 836 N SER A 230 9.413 0.999 -5.241 1.00 0.00 N ATOM 837 CA SER A 230 8.491 -0.133 -5.091 1.00 0.00 C ATOM 838 C SER A 230 9.161 -1.327 -4.408 1.00 0.00 C ATOM 839 O SER A 230 8.480 -2.228 -3.917 1.00 0.00 O ATOM 840 CB SER A 230 7.967 -0.550 -6.468 1.00 0.00 C ATOM 841 OG SER A 230 7.147 -1.706 -6.390 1.00 0.00 O ATOM 0 H SER A 230 9.453 1.371 -6.190 1.00 0.00 H new ATOM 0 HA SER A 230 7.664 0.188 -4.457 1.00 0.00 H new ATOM 0 HB2 SER A 230 7.398 0.271 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 230 8.808 -0.745 -7.134 1.00 0.00 H new ATOM 0 HG SER A 230 6.271 -1.513 -6.785 1.00 0.00 H new ATOM 847 N ASN A 231 10.490 -1.320 -4.356 1.00 0.00 N ATOM 848 CA ASN A 231 11.241 -2.385 -3.705 1.00 0.00 C ATOM 849 C ASN A 231 10.928 -2.407 -2.211 1.00 0.00 C ATOM 850 O ASN A 231 11.207 -3.380 -1.514 1.00 0.00 O ATOM 851 CB ASN A 231 12.745 -2.184 -3.913 1.00 0.00 C ATOM 852 CG ASN A 231 13.092 -1.864 -5.351 1.00 0.00 C ATOM 853 OD1 ASN A 231 12.729 -2.603 -6.263 1.00 0.00 O ATOM 854 ND2 ASN A 231 13.797 -0.764 -5.560 1.00 0.00 N ATOM 0 H ASN A 231 11.070 -0.584 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 231 10.948 -3.336 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.093 -1.376 -3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.275 -3.086 -3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 231 14.061 -0.500 -6.509 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.077 -0.180 -4.772 1.00 0.00 H new ATOM 861 N TYR A 232 10.347 -1.309 -1.732 1.00 0.00 N ATOM 862 CA TYR A 232 9.992 -1.156 -0.329 1.00 0.00 C ATOM 863 C TYR A 232 8.476 -1.190 -0.123 1.00 0.00 C ATOM 864 O TYR A 232 7.998 -0.843 0.952 1.00 0.00 O ATOM 865 CB TYR A 232 10.530 0.183 0.209 1.00 0.00 C ATOM 866 CG TYR A 232 12.037 0.264 0.342 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.871 0.012 -0.740 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.625 0.609 1.553 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.243 0.098 -0.619 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.996 0.697 1.682 1.00 0.00 C ATOM 871 CZ TYR A 232 14.800 0.439 0.596 1.00 0.00 C ATOM 872 OH TYR A 232 16.166 0.524 0.723 1.00 0.00 O ATOM 0 H TYR A 232 10.110 -0.502 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 232 10.439 -1.991 0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.196 0.983 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.084 0.370 1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.438 -0.256 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.998 0.812 2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.877 -0.101 -1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.436 0.967 2.631 1.00 0.00 H new ATOM 0 HH TYR A 232 16.394 0.776 1.642 1.00 0.00 H new ATOM 882 N VAL A 233 7.715 -1.581 -1.142 1.00 0.00 N ATOM 883 CA VAL A 233 6.257 -1.610 -1.011 1.00 0.00 C ATOM 884 C VAL A 233 5.666 -2.984 -1.334 1.00 0.00 C ATOM 885 O VAL A 233 6.341 -3.868 -1.865 1.00 0.00 O ATOM 886 CB VAL A 233 5.570 -0.546 -1.908 1.00 0.00 C ATOM 887 CG1 VAL A 233 6.189 0.824 -1.685 1.00 0.00 C ATOM 888 CG2 VAL A 233 5.638 -0.920 -3.380 1.00 0.00 C ATOM 0 H VAL A 233 8.072 -1.877 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 233 6.058 -1.381 0.036 1.00 0.00 H new ATOM 0 HB VAL A 233 4.519 -0.511 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.693 1.555 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 233 6.068 1.112 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 233 7.250 0.788 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 233 5.146 -0.150 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.681 -1.004 -3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.136 -1.875 -3.536 1.00 0.00 H new ATOM 898 N THR A 234 4.388 -3.123 -1.015 1.00 0.00 N ATOM 899 CA THR A 234 3.624 -4.335 -1.258 1.00 0.00 C ATOM 900 C THR A 234 2.218 -3.928 -1.684 1.00 0.00 C ATOM 901 O THR A 234 1.923 -2.738 -1.799 1.00 0.00 O ATOM 902 CB THR A 234 3.604 -5.218 0.005 1.00 0.00 C ATOM 903 OG1 THR A 234 2.882 -6.419 -0.218 1.00 0.00 O ATOM 904 CG2 THR A 234 3.006 -4.536 1.218 1.00 0.00 C ATOM 0 H THR A 234 3.844 -2.383 -0.572 1.00 0.00 H new ATOM 0 HA THR A 234 4.083 -4.927 -2.050 1.00 0.00 H new ATOM 0 HB THR A 234 4.654 -5.426 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 234 2.887 -6.960 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.027 -5.220 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 234 3.585 -3.644 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 234 1.975 -4.253 1.005 1.00 0.00 H new ATOM 912 N GLY A 235 1.357 -4.893 -1.910 1.00 0.00 N ATOM 913 CA GLY A 235 0.001 -4.586 -2.303 1.00 0.00 C ATOM 914 C GLY A 235 -0.967 -5.254 -1.371 1.00 0.00 C ATOM 915 O GLY A 235 -1.391 -4.672 -0.375 1.00 0.00 O ATOM 0 H GLY A 235 1.568 -5.888 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -0.155 -3.507 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -0.175 -4.921 -3.325 1.00 0.00 H new ATOM 919 N LYS A 236 -1.291 -6.496 -1.671 1.00 0.00 N ATOM 920 CA LYS A 236 -2.190 -7.265 -0.830 1.00 0.00 C ATOM 921 C LYS A 236 -1.400 -8.242 0.034 1.00 0.00 C ATOM 922 O LYS A 236 -1.675 -9.442 0.028 1.00 0.00 O ATOM 923 CB LYS A 236 -3.241 -7.996 -1.663 1.00 0.00 C ATOM 924 CG LYS A 236 -4.250 -7.053 -2.298 1.00 0.00 C ATOM 925 CD LYS A 236 -5.362 -7.809 -3.001 1.00 0.00 C ATOM 926 CE LYS A 236 -6.406 -6.860 -3.569 1.00 0.00 C ATOM 927 NZ LYS A 236 -5.816 -5.879 -4.515 1.00 0.00 N ATOM 0 H LYS A 236 -0.946 -6.995 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 236 -2.718 -6.572 -0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -2.744 -8.569 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.767 -8.711 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -4.678 -6.408 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.742 -6.405 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -4.941 -8.413 -3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -5.836 -8.496 -2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -7.178 -7.435 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -6.893 -6.327 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -6.577 -5.391 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -5.253 -5.183 -3.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -5.204 -6.376 -5.194 1.00 0.00 H new