USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 617 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 212 SER OG : rot -32:sc= 0.0178 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 THR OG1 : rot -71:sc=0.000126 USER MOD Single : A 232 CYS SG : rot -24:sc= 0.0241 USER MOD Single : A 233 LYS NZ :NH3+ -113:sc= -0.253 (180deg=-2.05!) USER MOD Single : A 234 SER OG : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 39:sc= 0.0622 USER MOD Single : B 217 TYR OH : rot 180:sc= 0 USER MOD Single : B 219 THR OG1 : rot -72:sc= 0.981 USER MOD Single : B 232 CYS SG : rot 180:sc= 0 USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 234 SER OG : rot -82:sc= 0.8 USER MOD Single : C 212 SER OG : rot 180:sc= 0 USER MOD Single : C 217 TYR OH : rot 180:sc= 0 USER MOD Single : C 219 THR OG1 : rot -85:sc= 0.982 USER MOD Single : C 232 CYS SG : rot 90:sc= 1.26 USER MOD Single : C 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 212 86.940 21.195 0.651 1.00 0.00 N ATOM 72 CA SER A 212 85.724 20.323 0.939 1.00 0.00 C ATOM 73 C SER A 212 85.414 19.388 -0.252 1.00 0.00 C ATOM 74 O SER A 212 84.749 18.380 -0.089 1.00 0.00 O ATOM 75 CB SER A 212 84.493 21.247 1.244 1.00 0.00 C ATOM 76 OG SER A 212 84.150 21.977 0.070 1.00 0.00 O ATOM 0 HA SER A 212 85.935 19.694 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 212 83.645 20.646 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 212 84.731 21.934 2.056 1.00 0.00 H new ATOM 0 HG SER A 212 84.959 22.151 -0.455 1.00 0.00 H new ATOM 82 N GLY A 213 85.876 19.780 -1.453 1.00 0.00 N ATOM 83 CA GLY A 213 85.645 19.002 -2.732 1.00 0.00 C ATOM 84 C GLY A 213 86.513 17.734 -2.857 1.00 0.00 C ATOM 85 O GLY A 213 86.013 16.667 -3.201 1.00 0.00 O ATOM 0 H GLY A 213 86.418 20.634 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 213 84.594 18.718 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 213 85.845 19.653 -3.583 1.00 0.00 H new ATOM 89 N ILE A 214 87.854 17.881 -2.641 1.00 0.00 N ATOM 90 CA ILE A 214 88.846 16.729 -2.810 1.00 0.00 C ATOM 91 C ILE A 214 88.628 15.586 -1.771 1.00 0.00 C ATOM 92 O ILE A 214 88.801 14.419 -2.110 1.00 0.00 O ATOM 93 CB ILE A 214 90.350 17.296 -2.796 1.00 0.00 C ATOM 94 CG1 ILE A 214 91.433 16.125 -3.107 1.00 0.00 C ATOM 95 CG2 ILE A 214 90.667 18.027 -1.419 1.00 0.00 C ATOM 96 CD1 ILE A 214 92.876 16.662 -3.333 1.00 0.00 C ATOM 0 H ILE A 214 88.285 18.760 -2.355 1.00 0.00 H new ATOM 0 HA ILE A 214 88.664 16.268 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 214 90.434 18.033 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 214 91.442 15.419 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 214 91.116 15.573 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 214 91.690 18.402 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 214 89.977 18.860 -1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 214 90.551 17.321 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 214 93.547 15.827 -3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 214 92.881 17.346 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 214 93.212 17.189 -2.440 1.00 0.00 H new ATOM 108 N ILE A 215 88.260 15.922 -0.495 1.00 0.00 N ATOM 109 CA ILE A 215 88.034 14.865 0.601 1.00 0.00 C ATOM 110 C ILE A 215 86.910 13.857 0.186 1.00 0.00 C ATOM 111 O ILE A 215 86.961 12.696 0.550 1.00 0.00 O ATOM 112 CB ILE A 215 87.793 15.548 2.040 1.00 0.00 C ATOM 113 CG1 ILE A 215 86.476 16.467 2.013 1.00 0.00 C ATOM 114 CG2 ILE A 215 89.090 16.409 2.457 1.00 0.00 C ATOM 115 CD1 ILE A 215 86.122 17.104 3.394 1.00 0.00 C ATOM 0 H ILE A 215 88.112 16.882 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 215 88.944 14.275 0.707 1.00 0.00 H new ATOM 0 HB ILE A 215 87.639 14.767 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 215 86.615 17.263 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 215 85.632 15.866 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 215 88.923 16.869 3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 215 89.960 15.754 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 215 89.265 17.186 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 215 85.221 17.710 3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 215 85.950 16.314 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 215 86.948 17.733 3.727 1.00 0.00 H new ATOM 127 N ILE A 216 85.877 14.326 -0.574 1.00 0.00 N ATOM 128 CA ILE A 216 84.744 13.411 -1.063 1.00 0.00 C ATOM 129 C ILE A 216 85.318 12.426 -2.147 1.00 0.00 C ATOM 130 O ILE A 216 84.973 11.255 -2.193 1.00 0.00 O ATOM 131 CB ILE A 216 83.528 14.297 -1.654 1.00 0.00 C ATOM 132 CG1 ILE A 216 83.030 15.359 -0.539 1.00 0.00 C ATOM 133 CG2 ILE A 216 82.304 13.364 -2.133 1.00 0.00 C ATOM 134 CD1 ILE A 216 81.962 16.366 -1.065 1.00 0.00 C ATOM 0 H ILE A 216 85.785 15.299 -0.866 1.00 0.00 H new ATOM 0 HA ILE A 216 84.349 12.827 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 216 83.891 14.840 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 216 82.616 14.814 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 216 83.891 15.916 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 216 81.502 13.989 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 216 82.648 12.684 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 216 81.933 12.787 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 216 81.677 17.046 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 216 82.378 16.938 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 216 81.083 15.819 -1.407 1.00 0.00 H new ATOM 146 N TYR A 217 86.139 13.000 -3.055 1.00 0.00 N ATOM 147 CA TYR A 217 86.754 12.284 -4.259 1.00 0.00 C ATOM 148 C TYR A 217 87.812 11.170 -3.934 1.00 0.00 C ATOM 149 O TYR A 217 87.916 10.218 -4.702 1.00 0.00 O ATOM 150 CB TYR A 217 87.389 13.394 -5.198 1.00 0.00 C ATOM 151 CG TYR A 217 87.922 12.799 -6.575 1.00 0.00 C ATOM 152 CD1 TYR A 217 86.990 12.336 -7.557 1.00 0.00 C ATOM 153 CD2 TYR A 217 89.325 12.696 -6.867 1.00 0.00 C ATOM 154 CE1 TYR A 217 87.452 11.794 -8.779 1.00 0.00 C ATOM 155 CE2 TYR A 217 89.757 12.150 -8.099 1.00 0.00 C ATOM 156 CZ TYR A 217 88.823 11.706 -9.042 1.00 0.00 C ATOM 157 OH TYR A 217 89.259 11.171 -10.241 1.00 0.00 O ATOM 0 H TYR A 217 86.413 13.981 -2.997 1.00 0.00 H new ATOM 0 HA TYR A 217 85.947 11.733 -4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 217 86.643 14.162 -5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 217 88.212 13.881 -4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 217 85.929 12.401 -7.364 1.00 0.00 H new ATOM 0 HD2 TYR A 217 90.052 13.036 -6.144 1.00 0.00 H new ATOM 0 HE1 TYR A 217 86.741 11.446 -9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 217 90.813 12.076 -8.313 1.00 0.00 H new ATOM 0 HH TYR A 217 90.239 11.183 -10.267 1.00 0.00 H new ATOM 167 N VAL A 218 88.651 11.317 -2.861 1.00 0.00 N ATOM 168 CA VAL A 218 89.773 10.292 -2.560 1.00 0.00 C ATOM 169 C VAL A 218 89.201 8.853 -2.379 1.00 0.00 C ATOM 170 O VAL A 218 89.817 7.875 -2.783 1.00 0.00 O ATOM 171 CB VAL A 218 90.638 10.769 -1.292 1.00 0.00 C ATOM 172 CG1 VAL A 218 89.770 10.766 0.047 1.00 0.00 C ATOM 173 CG2 VAL A 218 91.960 9.875 -1.102 1.00 0.00 C ATOM 0 H VAL A 218 88.599 12.092 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 218 90.442 10.249 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 218 90.949 11.794 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 218 90.389 11.094 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 218 88.924 11.444 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 218 89.404 9.758 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 218 92.517 10.229 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 218 91.676 8.834 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 218 92.584 9.955 -1.992 1.00 0.00 H new ATOM 183 N THR A 219 88.004 8.762 -1.752 1.00 0.00 N ATOM 184 CA THR A 219 87.288 7.441 -1.490 1.00 0.00 C ATOM 185 C THR A 219 86.833 6.800 -2.826 1.00 0.00 C ATOM 186 O THR A 219 87.056 5.627 -3.073 1.00 0.00 O ATOM 187 CB THR A 219 86.019 7.696 -0.567 1.00 0.00 C ATOM 188 OG1 THR A 219 85.033 8.413 -1.308 1.00 0.00 O ATOM 189 CG2 THR A 219 86.365 8.558 0.702 1.00 0.00 C ATOM 0 H THR A 219 87.494 9.576 -1.409 1.00 0.00 H new ATOM 0 HA THR A 219 87.977 6.762 -0.988 1.00 0.00 H new ATOM 0 HB THR A 219 85.660 6.718 -0.245 1.00 0.00 H new ATOM 0 HG1 THR A 219 85.332 9.336 -1.443 1.00 0.00 H new ATOM 0 HG21 THR A 219 85.465 8.704 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 219 87.117 8.042 1.299 1.00 0.00 H new ATOM 0 HG23 THR A 219 86.753 9.527 0.389 1.00 0.00 H new ATOM 197 N VAL A 220 86.180 7.631 -3.673 1.00 0.00 N ATOM 198 CA VAL A 220 85.641 7.205 -5.034 1.00 0.00 C ATOM 199 C VAL A 220 86.822 6.877 -5.993 1.00 0.00 C ATOM 200 O VAL A 220 86.695 6.034 -6.871 1.00 0.00 O ATOM 201 CB VAL A 220 84.699 8.371 -5.618 1.00 0.00 C ATOM 202 CG1 VAL A 220 84.037 7.959 -7.025 1.00 0.00 C ATOM 203 CG2 VAL A 220 83.547 8.736 -4.559 1.00 0.00 C ATOM 0 H VAL A 220 86.001 8.612 -3.456 1.00 0.00 H new ATOM 0 HA VAL A 220 85.041 6.301 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 220 85.328 9.245 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 220 83.409 8.774 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 220 84.824 7.759 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 220 83.429 7.064 -6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 220 82.916 9.526 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 220 82.940 7.852 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 220 84.002 9.077 -3.629 1.00 0.00 H new ATOM 213 N ALA A 221 87.964 7.593 -5.807 1.00 0.00 N ATOM 214 CA ALA A 221 89.206 7.417 -6.670 1.00 0.00 C ATOM 215 C ALA A 221 89.800 5.981 -6.526 1.00 0.00 C ATOM 216 O ALA A 221 90.332 5.428 -7.482 1.00 0.00 O ATOM 217 CB ALA A 221 90.268 8.511 -6.273 1.00 0.00 C ATOM 0 H ALA A 221 88.068 8.298 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 221 88.931 7.544 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 221 91.161 8.391 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 221 89.846 9.503 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 221 90.533 8.397 -5.222 1.00 0.00 H new ATOM 223 N ALA A 222 89.723 5.414 -5.296 1.00 0.00 N ATOM 224 CA ALA A 222 90.270 4.029 -4.990 1.00 0.00 C ATOM 225 C ALA A 222 89.417 2.911 -5.663 1.00 0.00 C ATOM 226 O ALA A 222 89.952 1.923 -6.151 1.00 0.00 O ATOM 227 CB ALA A 222 90.312 3.849 -3.427 1.00 0.00 C ATOM 0 H ALA A 222 89.295 5.874 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 222 91.275 3.938 -5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 222 90.702 2.860 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 222 90.958 4.611 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 222 89.305 3.951 -3.022 1.00 0.00 H new ATOM 233 N VAL A 223 88.072 3.077 -5.622 1.00 0.00 N ATOM 234 CA VAL A 223 87.082 2.057 -6.181 1.00 0.00 C ATOM 235 C VAL A 223 87.210 1.910 -7.729 1.00 0.00 C ATOM 236 O VAL A 223 87.204 0.795 -8.236 1.00 0.00 O ATOM 237 CB VAL A 223 85.595 2.473 -5.731 1.00 0.00 C ATOM 238 CG1 VAL A 223 84.481 1.449 -6.280 1.00 0.00 C ATOM 239 CG2 VAL A 223 85.506 2.558 -4.127 1.00 0.00 C ATOM 0 H VAL A 223 87.625 3.898 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 223 87.312 1.073 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 223 85.389 3.450 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 223 83.494 1.773 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 223 84.510 1.429 -7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 223 84.683 0.450 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 223 84.495 2.840 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 223 85.751 1.587 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 223 86.212 3.305 -3.762 1.00 0.00 H new ATOM 249 N VAL A 224 87.284 3.047 -8.477 1.00 0.00 N ATOM 250 CA VAL A 224 87.378 3.008 -10.004 1.00 0.00 C ATOM 251 C VAL A 224 88.737 2.405 -10.466 1.00 0.00 C ATOM 252 O VAL A 224 88.819 1.803 -11.531 1.00 0.00 O ATOM 253 CB VAL A 224 87.117 4.475 -10.598 1.00 0.00 C ATOM 254 CG1 VAL A 224 88.209 5.509 -10.078 1.00 0.00 C ATOM 255 CG2 VAL A 224 87.054 4.468 -12.204 1.00 0.00 C ATOM 0 H VAL A 224 87.282 3.987 -8.081 1.00 0.00 H new ATOM 0 HA VAL A 224 86.604 2.349 -10.398 1.00 0.00 H new ATOM 0 HB VAL A 224 86.142 4.799 -10.234 1.00 0.00 H new ATOM 0 HG11 VAL A 224 88.006 6.494 -10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 224 88.170 5.563 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 224 89.200 5.179 -10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 224 86.876 5.481 -12.566 1.00 0.00 H new ATOM 0 HG22 VAL A 224 87.999 4.101 -12.604 1.00 0.00 H new ATOM 0 HG23 VAL A 224 86.244 3.817 -12.534 1.00 0.00 H new ATOM 265 N LEU A 225 89.809 2.641 -9.664 1.00 0.00 N ATOM 266 CA LEU A 225 91.217 2.169 -10.010 1.00 0.00 C ATOM 267 C LEU A 225 91.370 0.620 -9.912 1.00 0.00 C ATOM 268 O LEU A 225 91.952 0.012 -10.803 1.00 0.00 O ATOM 269 CB LEU A 225 92.223 2.927 -9.041 1.00 0.00 C ATOM 270 CG LEU A 225 93.791 2.555 -9.233 1.00 0.00 C ATOM 271 CD1 LEU A 225 94.293 2.789 -10.718 1.00 0.00 C ATOM 272 CD2 LEU A 225 94.687 3.383 -8.200 1.00 0.00 C ATOM 0 H LEU A 225 89.748 3.147 -8.780 1.00 0.00 H new ATOM 0 HA LEU A 225 91.439 2.408 -11.050 1.00 0.00 H new ATOM 0 HB2 LEU A 225 92.102 4.000 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 225 91.940 2.711 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 225 93.897 1.490 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 225 95.348 2.525 -10.791 1.00 0.00 H new ATOM 0 HD12 LEU A 225 93.715 2.166 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 225 94.162 3.838 -10.985 1.00 0.00 H new ATOM 0 HD21 LEU A 225 95.737 3.124 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 225 94.550 4.450 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 225 94.386 3.140 -7.181 1.00 0.00 H new ATOM 284 N ILE A 226 90.892 -0.002 -8.798 1.00 0.00 N ATOM 285 CA ILE A 226 91.038 -1.514 -8.572 1.00 0.00 C ATOM 286 C ILE A 226 90.139 -2.363 -9.522 1.00 0.00 C ATOM 287 O ILE A 226 90.543 -3.433 -9.965 1.00 0.00 O ATOM 288 CB ILE A 226 90.764 -1.854 -7.024 1.00 0.00 C ATOM 289 CG1 ILE A 226 91.094 -3.407 -6.686 1.00 0.00 C ATOM 290 CG2 ILE A 226 89.268 -1.479 -6.610 1.00 0.00 C ATOM 291 CD1 ILE A 226 91.031 -3.735 -5.168 1.00 0.00 C ATOM 0 H ILE A 226 90.409 0.486 -8.044 1.00 0.00 H new ATOM 0 HA ILE A 226 92.062 -1.792 -8.823 1.00 0.00 H new ATOM 0 HB ILE A 226 91.441 -1.241 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 226 90.388 -4.045 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 226 92.088 -3.650 -7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 226 89.110 -1.719 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 226 89.103 -0.413 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 226 88.568 -2.048 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 226 91.262 -4.789 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 226 91.757 -3.122 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 226 90.030 -3.524 -4.791 1.00 0.00 H new ATOM 303 N VAL A 227 88.874 -1.925 -9.744 1.00 0.00 N ATOM 304 CA VAL A 227 87.868 -2.710 -10.590 1.00 0.00 C ATOM 305 C VAL A 227 88.254 -2.766 -12.093 1.00 0.00 C ATOM 306 O VAL A 227 88.185 -3.809 -12.721 1.00 0.00 O ATOM 307 CB VAL A 227 86.401 -2.103 -10.351 1.00 0.00 C ATOM 308 CG1 VAL A 227 86.271 -0.636 -10.969 1.00 0.00 C ATOM 309 CG2 VAL A 227 85.252 -3.059 -10.926 1.00 0.00 C ATOM 0 H VAL A 227 88.507 -1.051 -9.367 1.00 0.00 H new ATOM 0 HA VAL A 227 87.878 -3.751 -10.266 1.00 0.00 H new ATOM 0 HB VAL A 227 86.262 -2.035 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 227 85.266 -0.254 -10.790 1.00 0.00 H new ATOM 0 HG12 VAL A 227 86.999 0.023 -10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 227 86.459 -0.675 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 227 84.277 -2.608 -10.742 1.00 0.00 H new ATOM 0 HG22 VAL A 227 85.393 -3.193 -11.999 1.00 0.00 H new ATOM 0 HG23 VAL A 227 85.303 -4.028 -10.430 1.00 0.00 H new ATOM 319 N ALA A 228 88.600 -1.593 -12.656 1.00 0.00 N ATOM 320 CA ALA A 228 88.932 -1.432 -14.133 1.00 0.00 C ATOM 321 C ALA A 228 90.138 -2.302 -14.599 1.00 0.00 C ATOM 322 O ALA A 228 90.078 -2.926 -15.654 1.00 0.00 O ATOM 323 CB ALA A 228 89.202 0.096 -14.409 1.00 0.00 C ATOM 0 H ALA A 228 88.665 -0.723 -12.128 1.00 0.00 H new ATOM 0 HA ALA A 228 88.081 -1.789 -14.713 1.00 0.00 H new ATOM 0 HB1 ALA A 228 89.443 0.238 -15.463 1.00 0.00 H new ATOM 0 HB2 ALA A 228 88.312 0.674 -14.159 1.00 0.00 H new ATOM 0 HB3 ALA A 228 90.038 0.434 -13.797 1.00 0.00 H new ATOM 329 N VAL A 229 91.246 -2.292 -13.818 1.00 0.00 N ATOM 330 CA VAL A 229 92.517 -3.052 -14.185 1.00 0.00 C ATOM 331 C VAL A 229 92.279 -4.596 -14.318 1.00 0.00 C ATOM 332 O VAL A 229 92.880 -5.200 -15.204 1.00 0.00 O ATOM 333 CB VAL A 229 93.691 -2.686 -13.153 1.00 0.00 C ATOM 334 CG1 VAL A 229 93.278 -3.046 -11.663 1.00 0.00 C ATOM 335 CG2 VAL A 229 95.082 -3.390 -13.550 1.00 0.00 C ATOM 0 H VAL A 229 91.309 -1.781 -12.938 1.00 0.00 H new ATOM 0 HA VAL A 229 92.832 -2.730 -15.178 1.00 0.00 H new ATOM 0 HB VAL A 229 93.844 -1.608 -13.212 1.00 0.00 H new ATOM 0 HG11 VAL A 229 94.093 -2.787 -10.987 1.00 0.00 H new ATOM 0 HG12 VAL A 229 92.385 -2.485 -11.387 1.00 0.00 H new ATOM 0 HG13 VAL A 229 93.072 -4.114 -11.590 1.00 0.00 H new ATOM 0 HG21 VAL A 229 95.849 -3.115 -12.825 1.00 0.00 H new ATOM 0 HG22 VAL A 229 94.955 -4.473 -13.551 1.00 0.00 H new ATOM 0 HG23 VAL A 229 95.387 -3.060 -14.543 1.00 0.00 H new ATOM 345 N PHE A 230 91.408 -5.251 -13.452 1.00 0.00 N ATOM 346 CA PHE A 230 91.165 -6.775 -13.588 1.00 0.00 C ATOM 347 C PHE A 230 90.290 -7.063 -14.835 1.00 0.00 C ATOM 348 O PHE A 230 90.467 -8.071 -15.502 1.00 0.00 O ATOM 349 CB PHE A 230 90.639 -7.455 -12.234 1.00 0.00 C ATOM 350 CG PHE A 230 89.075 -7.355 -11.930 1.00 0.00 C ATOM 351 CD1 PHE A 230 88.569 -6.578 -10.828 1.00 0.00 C ATOM 352 CD2 PHE A 230 88.129 -8.120 -12.698 1.00 0.00 C ATOM 353 CE1 PHE A 230 87.185 -6.566 -10.529 1.00 0.00 C ATOM 354 CE2 PHE A 230 86.748 -8.083 -12.390 1.00 0.00 C ATOM 355 CZ PHE A 230 86.279 -7.308 -11.311 1.00 0.00 C ATOM 0 H PHE A 230 90.890 -4.797 -12.699 1.00 0.00 H new ATOM 0 HA PHE A 230 92.125 -7.263 -13.755 1.00 0.00 H new ATOM 0 HB2 PHE A 230 90.912 -8.510 -12.257 1.00 0.00 H new ATOM 0 HB3 PHE A 230 91.175 -7.005 -11.399 1.00 0.00 H new ATOM 0 HD1 PHE A 230 89.252 -5.999 -10.224 1.00 0.00 H new ATOM 0 HD2 PHE A 230 88.477 -8.730 -13.519 1.00 0.00 H new ATOM 0 HE1 PHE A 230 86.822 -5.984 -9.695 1.00 0.00 H new ATOM 0 HE2 PHE A 230 86.050 -8.652 -12.986 1.00 0.00 H new ATOM 0 HZ PHE A 230 85.224 -7.283 -11.083 1.00 0.00 H new ATOM 365 N VAL A 231 89.342 -6.143 -15.155 1.00 0.00 N ATOM 366 CA VAL A 231 88.446 -6.268 -16.390 1.00 0.00 C ATOM 367 C VAL A 231 89.304 -6.048 -17.682 1.00 0.00 C ATOM 368 O VAL A 231 89.000 -6.592 -18.729 1.00 0.00 O ATOM 369 CB VAL A 231 87.233 -5.228 -16.260 1.00 0.00 C ATOM 370 CG1 VAL A 231 86.296 -5.214 -17.567 1.00 0.00 C ATOM 371 CG2 VAL A 231 86.345 -5.577 -14.963 1.00 0.00 C ATOM 0 H VAL A 231 89.161 -5.308 -14.598 1.00 0.00 H new ATOM 0 HA VAL A 231 88.015 -7.266 -16.462 1.00 0.00 H new ATOM 0 HB VAL A 231 87.671 -4.235 -16.158 1.00 0.00 H new ATOM 0 HG11 VAL A 231 85.490 -4.494 -17.429 1.00 0.00 H new ATOM 0 HG12 VAL A 231 86.889 -4.932 -18.437 1.00 0.00 H new ATOM 0 HG13 VAL A 231 85.873 -6.207 -17.722 1.00 0.00 H new ATOM 0 HG21 VAL A 231 85.523 -4.865 -14.882 1.00 0.00 H new ATOM 0 HG22 VAL A 231 85.943 -6.586 -15.058 1.00 0.00 H new ATOM 0 HG23 VAL A 231 86.966 -5.516 -14.070 1.00 0.00 H new ATOM 381 N CYS A 232 90.330 -5.165 -17.573 1.00 0.00 N ATOM 382 CA CYS A 232 91.229 -4.750 -18.741 1.00 0.00 C ATOM 383 C CYS A 232 92.069 -5.914 -19.354 1.00 0.00 C ATOM 384 O CYS A 232 92.348 -5.875 -20.539 1.00 0.00 O ATOM 385 CB CYS A 232 92.165 -3.573 -18.265 1.00 0.00 C ATOM 386 SG CYS A 232 93.108 -2.851 -19.650 1.00 0.00 S ATOM 0 H CYS A 232 90.576 -4.711 -16.693 1.00 0.00 H new ATOM 0 HA CYS A 232 90.574 -4.425 -19.549 1.00 0.00 H new ATOM 0 HB2 CYS A 232 91.562 -2.797 -17.793 1.00 0.00 H new ATOM 0 HB3 CYS A 232 92.857 -3.943 -17.508 1.00 0.00 H new ATOM 0 HG CYS A 232 93.221 -3.729 -20.602 1.00 0.00 H new ATOM 392 N LYS A 233 92.507 -6.910 -18.539 1.00 0.00 N ATOM 393 CA LYS A 233 93.354 -8.096 -19.040 1.00 0.00 C ATOM 394 C LYS A 233 92.439 -9.221 -19.590 1.00 0.00 C ATOM 395 O LYS A 233 92.878 -10.057 -20.364 1.00 0.00 O ATOM 396 CB LYS A 233 94.335 -8.607 -17.887 1.00 0.00 C ATOM 397 CG LYS A 233 93.569 -9.225 -16.634 1.00 0.00 C ATOM 398 CD LYS A 233 94.545 -9.547 -15.397 1.00 0.00 C ATOM 399 CE LYS A 233 95.697 -10.582 -15.748 1.00 0.00 C ATOM 400 NZ LYS A 233 96.809 -9.898 -16.478 1.00 0.00 N ATOM 0 H LYS A 233 92.306 -6.943 -17.539 1.00 0.00 H new ATOM 0 HA LYS A 233 93.982 -7.766 -19.867 1.00 0.00 H new ATOM 0 HB2 LYS A 233 95.008 -9.359 -18.299 1.00 0.00 H new ATOM 0 HB3 LYS A 233 94.954 -7.775 -17.551 1.00 0.00 H new ATOM 0 HG2 LYS A 233 92.796 -8.529 -16.308 1.00 0.00 H new ATOM 0 HG3 LYS A 233 93.064 -10.142 -16.940 1.00 0.00 H new ATOM 0 HD2 LYS A 233 94.997 -8.618 -15.050 1.00 0.00 H new ATOM 0 HD3 LYS A 233 93.953 -9.942 -14.571 1.00 0.00 H new ATOM 0 HE2 LYS A 233 96.079 -11.035 -14.833 1.00 0.00 H new ATOM 0 HE3 LYS A 233 95.295 -11.390 -16.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 96.854 -10.254 -17.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 96.637 -8.872 -16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 97.711 -10.092 -15.997 1.00 0.00 H new ATOM 414 N SER A 234 91.165 -9.251 -19.121 1.00 0.00 N ATOM 415 CA SER A 234 90.162 -10.326 -19.507 1.00 0.00 C ATOM 416 C SER A 234 89.821 -10.335 -21.031 1.00 0.00 C ATOM 417 O SER A 234 89.760 -11.403 -21.626 1.00 0.00 O ATOM 418 CB SER A 234 88.862 -10.116 -18.670 1.00 0.00 C ATOM 419 OG SER A 234 87.936 -11.159 -18.957 1.00 0.00 O ATOM 0 H SER A 234 90.791 -8.554 -18.477 1.00 0.00 H new ATOM 0 HA SER A 234 90.615 -11.294 -19.292 1.00 0.00 H new ATOM 0 HB2 SER A 234 89.099 -10.109 -17.606 1.00 0.00 H new ATOM 0 HB3 SER A 234 88.419 -9.148 -18.904 1.00 0.00 H new ATOM 0 HG SER A 234 87.121 -11.027 -18.430 1.00 0.00 H new ATOM 425 N LEU A 235 89.606 -9.134 -21.654 1.00 0.00 N ATOM 426 CA LEU A 235 89.265 -9.020 -23.161 1.00 0.00 C ATOM 427 C LEU A 235 90.552 -8.967 -24.021 1.00 0.00 C ATOM 428 O LEU A 235 90.485 -9.133 -25.230 1.00 0.00 O ATOM 429 CB LEU A 235 88.275 -7.786 -23.449 1.00 0.00 C ATOM 430 CG LEU A 235 88.962 -6.317 -23.488 1.00 0.00 C ATOM 431 CD1 LEU A 235 87.880 -5.188 -23.795 1.00 0.00 C ATOM 432 CD2 LEU A 235 89.734 -6.007 -22.146 1.00 0.00 C ATOM 0 H LEU A 235 89.655 -8.236 -21.173 1.00 0.00 H new ATOM 0 HA LEU A 235 88.726 -9.921 -23.456 1.00 0.00 H new ATOM 0 HB2 LEU A 235 87.779 -7.959 -24.404 1.00 0.00 H new ATOM 0 HB3 LEU A 235 87.499 -7.782 -22.683 1.00 0.00 H new ATOM 0 HG LEU A 235 89.691 -6.316 -24.298 1.00 0.00 H new ATOM 0 HD11 LEU A 235 88.367 -4.213 -23.815 1.00 0.00 H new ATOM 0 HD12 LEU A 235 87.416 -5.382 -24.762 1.00 0.00 H new ATOM 0 HD13 LEU A 235 87.116 -5.195 -23.018 1.00 0.00 H new ATOM 0 HD21 LEU A 235 90.183 -5.015 -22.205 1.00 0.00 H new ATOM 0 HD22 LEU A 235 89.037 -6.041 -21.309 1.00 0.00 H new ATOM 0 HD23 LEU A 235 90.517 -6.751 -21.996 1.00 0.00 H new ATOM 444 N LEU A 236 91.727 -8.716 -23.372 1.00 0.00 N ATOM 445 CA LEU A 236 93.082 -8.621 -24.094 1.00 0.00 C ATOM 446 C LEU A 236 93.610 -10.071 -24.349 1.00 0.00 C ATOM 447 O LEU A 236 94.299 -10.324 -25.323 1.00 0.00 O ATOM 448 CB LEU A 236 94.096 -7.762 -23.177 1.00 0.00 C ATOM 449 CG LEU A 236 95.156 -6.855 -24.000 1.00 0.00 C ATOM 450 CD1 LEU A 236 96.057 -5.987 -23.016 1.00 0.00 C ATOM 451 CD2 LEU A 236 96.056 -7.739 -24.961 1.00 0.00 C ATOM 0 H LEU A 236 91.789 -8.574 -22.364 1.00 0.00 H new ATOM 0 HA LEU A 236 92.989 -8.118 -25.057 1.00 0.00 H new ATOM 0 HB2 LEU A 236 93.512 -7.112 -22.526 1.00 0.00 H new ATOM 0 HB3 LEU A 236 94.648 -8.446 -22.532 1.00 0.00 H new ATOM 0 HG LEU A 236 94.582 -6.170 -24.623 1.00 0.00 H new ATOM 0 HD11 LEU A 236 96.759 -5.389 -23.597 1.00 0.00 H new ATOM 0 HD12 LEU A 236 95.420 -5.328 -22.426 1.00 0.00 H new ATOM 0 HD13 LEU A 236 96.610 -6.649 -22.350 1.00 0.00 H new ATOM 0 HD21 LEU A 236 96.755 -7.097 -25.497 1.00 0.00 H new ATOM 0 HD22 LEU A 236 96.612 -8.468 -24.371 1.00 0.00 H new ATOM 0 HD23 LEU A 236 95.421 -8.261 -25.677 1.00 0.00 H new ATOM 652 N SER B 212 73.961 10.160 5.042 1.00 0.00 N ATOM 653 CA SER B 212 75.212 10.224 5.915 1.00 0.00 C ATOM 654 C SER B 212 75.791 8.808 6.172 1.00 0.00 C ATOM 655 O SER B 212 76.943 8.677 6.495 1.00 0.00 O ATOM 656 CB SER B 212 74.889 10.950 7.262 1.00 0.00 C ATOM 657 OG SER B 212 74.466 12.277 6.977 1.00 0.00 O ATOM 0 HA SER B 212 75.973 10.796 5.384 1.00 0.00 H new ATOM 0 HB2 SER B 212 74.109 10.413 7.803 1.00 0.00 H new ATOM 0 HB3 SER B 212 75.770 10.964 7.904 1.00 0.00 H new ATOM 0 HG SER B 212 73.907 12.276 6.172 1.00 0.00 H new ATOM 663 N GLY B 213 74.939 7.777 6.030 1.00 0.00 N ATOM 664 CA GLY B 213 75.336 6.324 6.217 1.00 0.00 C ATOM 665 C GLY B 213 76.144 5.802 5.014 1.00 0.00 C ATOM 666 O GLY B 213 77.083 5.032 5.158 1.00 0.00 O ATOM 0 H GLY B 213 73.957 7.900 5.784 1.00 0.00 H new ATOM 0 HA2 GLY B 213 75.928 6.221 7.127 1.00 0.00 H new ATOM 0 HA3 GLY B 213 74.442 5.715 6.348 1.00 0.00 H new ATOM 670 N ILE B 214 75.689 6.209 3.805 1.00 0.00 N ATOM 671 CA ILE B 214 76.277 5.771 2.465 1.00 0.00 C ATOM 672 C ILE B 214 77.782 6.177 2.315 1.00 0.00 C ATOM 673 O ILE B 214 78.588 5.386 1.833 1.00 0.00 O ATOM 674 CB ILE B 214 75.361 6.379 1.293 1.00 0.00 C ATOM 675 CG1 ILE B 214 73.794 5.995 1.512 1.00 0.00 C ATOM 676 CG2 ILE B 214 75.837 5.920 -0.164 1.00 0.00 C ATOM 677 CD1 ILE B 214 73.491 4.462 1.539 1.00 0.00 C ATOM 0 H ILE B 214 74.903 6.852 3.704 1.00 0.00 H new ATOM 0 HA ILE B 214 76.270 4.683 2.404 1.00 0.00 H new ATOM 0 HB ILE B 214 75.475 7.462 1.349 1.00 0.00 H new ATOM 0 HG12 ILE B 214 73.455 6.434 2.450 1.00 0.00 H new ATOM 0 HG13 ILE B 214 73.208 6.453 0.715 1.00 0.00 H new ATOM 0 HG21 ILE B 214 75.182 6.360 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE B 214 76.861 6.253 -0.334 1.00 0.00 H new ATOM 0 HG23 ILE B 214 75.792 4.833 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE B 214 72.423 4.305 1.689 1.00 0.00 H new ATOM 0 HD12 ILE B 214 73.794 4.015 0.592 1.00 0.00 H new ATOM 0 HD13 ILE B 214 74.045 3.996 2.354 1.00 0.00 H new ATOM 689 N ILE B 215 78.143 7.427 2.709 1.00 0.00 N ATOM 690 CA ILE B 215 79.581 7.951 2.594 1.00 0.00 C ATOM 691 C ILE B 215 80.553 7.118 3.487 1.00 0.00 C ATOM 692 O ILE B 215 81.706 6.941 3.131 1.00 0.00 O ATOM 693 CB ILE B 215 79.637 9.529 2.893 1.00 0.00 C ATOM 694 CG1 ILE B 215 81.144 10.112 2.747 1.00 0.00 C ATOM 695 CG2 ILE B 215 79.027 9.846 4.325 1.00 0.00 C ATOM 696 CD1 ILE B 215 81.211 11.669 2.795 1.00 0.00 C ATOM 0 H ILE B 215 77.489 8.101 3.106 1.00 0.00 H new ATOM 0 HA ILE B 215 79.925 7.819 1.568 1.00 0.00 H new ATOM 0 HB ILE B 215 79.027 10.035 2.145 1.00 0.00 H new ATOM 0 HG12 ILE B 215 81.763 9.704 3.546 1.00 0.00 H new ATOM 0 HG13 ILE B 215 81.570 9.766 1.805 1.00 0.00 H new ATOM 0 HG21 ILE B 215 79.073 10.919 4.511 1.00 0.00 H new ATOM 0 HG22 ILE B 215 77.989 9.516 4.359 1.00 0.00 H new ATOM 0 HG23 ILE B 215 79.600 9.321 5.089 1.00 0.00 H new ATOM 0 HD11 ILE B 215 82.247 11.992 2.692 1.00 0.00 H new ATOM 0 HD12 ILE B 215 80.619 12.084 1.980 1.00 0.00 H new ATOM 0 HD13 ILE B 215 80.814 12.021 3.747 1.00 0.00 H new ATOM 708 N ILE B 216 80.081 6.619 4.665 1.00 0.00 N ATOM 709 CA ILE B 216 80.950 5.772 5.607 1.00 0.00 C ATOM 710 C ILE B 216 81.228 4.380 4.938 1.00 0.00 C ATOM 711 O ILE B 216 82.304 3.817 5.063 1.00 0.00 O ATOM 712 CB ILE B 216 80.219 5.570 7.029 1.00 0.00 C ATOM 713 CG1 ILE B 216 79.645 6.963 7.605 1.00 0.00 C ATOM 714 CG2 ILE B 216 81.186 4.874 8.104 1.00 0.00 C ATOM 715 CD1 ILE B 216 80.708 8.057 7.873 1.00 0.00 C ATOM 0 H ILE B 216 79.130 6.770 5.001 1.00 0.00 H new ATOM 0 HA ILE B 216 81.894 6.289 5.783 1.00 0.00 H new ATOM 0 HB ILE B 216 79.376 4.902 6.855 1.00 0.00 H new ATOM 0 HG12 ILE B 216 78.914 7.356 6.898 1.00 0.00 H new ATOM 0 HG13 ILE B 216 79.113 6.761 8.535 1.00 0.00 H new ATOM 0 HG21 ILE B 216 80.655 4.756 9.049 1.00 0.00 H new ATOM 0 HG22 ILE B 216 81.494 3.895 7.736 1.00 0.00 H new ATOM 0 HG23 ILE B 216 82.067 5.497 8.258 1.00 0.00 H new ATOM 0 HD11 ILE B 216 80.220 8.952 8.258 1.00 0.00 H new ATOM 0 HD12 ILE B 216 81.428 7.693 8.606 1.00 0.00 H new ATOM 0 HD13 ILE B 216 81.226 8.297 6.944 1.00 0.00 H new ATOM 727 N TYR B 217 80.165 3.834 4.302 1.00 0.00 N ATOM 728 CA TYR B 217 80.165 2.452 3.656 1.00 0.00 C ATOM 729 C TYR B 217 81.152 2.290 2.454 1.00 0.00 C ATOM 730 O TYR B 217 81.816 1.260 2.357 1.00 0.00 O ATOM 731 CB TYR B 217 78.677 2.121 3.216 1.00 0.00 C ATOM 732 CG TYR B 217 78.523 0.629 2.686 1.00 0.00 C ATOM 733 CD1 TYR B 217 78.317 0.331 1.296 1.00 0.00 C ATOM 734 CD2 TYR B 217 78.609 -0.465 3.605 1.00 0.00 C ATOM 735 CE1 TYR B 217 78.200 -1.010 0.864 1.00 0.00 C ATOM 736 CE2 TYR B 217 78.486 -1.796 3.145 1.00 0.00 C ATOM 737 CZ TYR B 217 78.284 -2.059 1.786 1.00 0.00 C ATOM 738 OH TYR B 217 78.169 -3.367 1.349 1.00 0.00 O ATOM 0 H TYR B 217 79.273 4.319 4.209 1.00 0.00 H new ATOM 0 HA TYR B 217 80.531 1.743 4.399 1.00 0.00 H new ATOM 0 HB2 TYR B 217 78.007 2.275 4.062 1.00 0.00 H new ATOM 0 HB3 TYR B 217 78.368 2.816 2.435 1.00 0.00 H new ATOM 0 HD1 TYR B 217 78.251 1.135 0.578 1.00 0.00 H new ATOM 0 HD2 TYR B 217 78.769 -0.273 4.656 1.00 0.00 H new ATOM 0 HE1 TYR B 217 78.045 -1.226 -0.183 1.00 0.00 H new ATOM 0 HE2 TYR B 217 78.548 -2.615 3.847 1.00 0.00 H new ATOM 0 HH TYR B 217 78.251 -3.975 2.113 1.00 0.00 H new ATOM 748 N VAL B 218 81.201 3.270 1.501 1.00 0.00 N ATOM 749 CA VAL B 218 82.092 3.137 0.250 1.00 0.00 C ATOM 750 C VAL B 218 83.597 2.931 0.628 1.00 0.00 C ATOM 751 O VAL B 218 84.338 2.279 -0.097 1.00 0.00 O ATOM 752 CB VAL B 218 81.880 4.390 -0.739 1.00 0.00 C ATOM 753 CG1 VAL B 218 80.368 4.427 -1.291 1.00 0.00 C ATOM 754 CG2 VAL B 218 82.223 5.761 0.004 1.00 0.00 C ATOM 0 H VAL B 218 80.666 4.137 1.547 1.00 0.00 H new ATOM 0 HA VAL B 218 81.784 2.240 -0.287 1.00 0.00 H new ATOM 0 HB VAL B 218 82.559 4.271 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL B 218 80.245 5.281 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL B 218 80.157 3.507 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL B 218 79.677 4.518 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL B 218 82.073 6.594 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL B 218 81.569 5.880 0.868 1.00 0.00 H new ATOM 0 HG23 VAL B 218 83.262 5.746 0.335 1.00 0.00 H new ATOM 764 N THR B 219 84.017 3.510 1.780 1.00 0.00 N ATOM 765 CA THR B 219 85.452 3.407 2.299 1.00 0.00 C ATOM 766 C THR B 219 85.759 1.963 2.771 1.00 0.00 C ATOM 767 O THR B 219 86.776 1.384 2.415 1.00 0.00 O ATOM 768 CB THR B 219 85.659 4.413 3.517 1.00 0.00 C ATOM 769 OG1 THR B 219 84.935 3.936 4.651 1.00 0.00 O ATOM 770 CG2 THR B 219 85.124 5.853 3.195 1.00 0.00 C ATOM 0 H THR B 219 83.403 4.057 2.384 1.00 0.00 H new ATOM 0 HA THR B 219 86.131 3.666 1.487 1.00 0.00 H new ATOM 0 HB THR B 219 86.731 4.466 3.709 1.00 0.00 H new ATOM 0 HG1 THR B 219 83.974 4.060 4.501 1.00 0.00 H new ATOM 0 HG21 THR B 219 85.287 6.503 4.055 1.00 0.00 H new ATOM 0 HG22 THR B 219 85.655 6.254 2.332 1.00 0.00 H new ATOM 0 HG23 THR B 219 84.058 5.804 2.975 1.00 0.00 H new ATOM 778 N VAL B 220 84.835 1.407 3.593 1.00 0.00 N ATOM 779 CA VAL B 220 84.955 -0.001 4.168 1.00 0.00 C ATOM 780 C VAL B 220 84.791 -1.041 3.026 1.00 0.00 C ATOM 781 O VAL B 220 85.375 -2.115 3.073 1.00 0.00 O ATOM 782 CB VAL B 220 83.856 -0.196 5.326 1.00 0.00 C ATOM 783 CG1 VAL B 220 83.958 -1.649 6.010 1.00 0.00 C ATOM 784 CG2 VAL B 220 84.023 0.946 6.444 1.00 0.00 C ATOM 0 H VAL B 220 83.989 1.895 3.887 1.00 0.00 H new ATOM 0 HA VAL B 220 85.939 -0.151 4.613 1.00 0.00 H new ATOM 0 HB VAL B 220 82.873 -0.114 4.863 1.00 0.00 H new ATOM 0 HG11 VAL B 220 83.199 -1.740 6.787 1.00 0.00 H new ATOM 0 HG12 VAL B 220 83.799 -2.419 5.255 1.00 0.00 H new ATOM 0 HG13 VAL B 220 84.946 -1.774 6.453 1.00 0.00 H new ATOM 0 HG21 VAL B 220 83.274 0.805 7.223 1.00 0.00 H new ATOM 0 HG22 VAL B 220 85.019 0.883 6.882 1.00 0.00 H new ATOM 0 HG23 VAL B 220 83.889 1.926 5.986 1.00 0.00 H new ATOM 794 N ALA B 221 83.960 -0.688 2.009 1.00 0.00 N ATOM 795 CA ALA B 221 83.666 -1.590 0.817 1.00 0.00 C ATOM 796 C ALA B 221 84.963 -1.947 0.026 1.00 0.00 C ATOM 797 O ALA B 221 85.102 -3.050 -0.487 1.00 0.00 O ATOM 798 CB ALA B 221 82.622 -0.877 -0.122 1.00 0.00 C ATOM 0 H ALA B 221 83.474 0.208 1.973 1.00 0.00 H new ATOM 0 HA ALA B 221 83.251 -2.528 1.186 1.00 0.00 H new ATOM 0 HB1 ALA B 221 82.406 -1.516 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA B 221 81.702 -0.690 0.432 1.00 0.00 H new ATOM 0 HB3 ALA B 221 83.034 0.070 -0.471 1.00 0.00 H new ATOM 804 N ALA B 222 85.887 -0.958 -0.088 1.00 0.00 N ATOM 805 CA ALA B 222 87.194 -1.133 -0.847 1.00 0.00 C ATOM 806 C ALA B 222 88.172 -2.088 -0.103 1.00 0.00 C ATOM 807 O ALA B 222 88.852 -2.898 -0.723 1.00 0.00 O ATOM 808 CB ALA B 222 87.836 0.290 -1.052 1.00 0.00 C ATOM 0 H ALA B 222 85.771 -0.033 0.325 1.00 0.00 H new ATOM 0 HA ALA B 222 86.992 -1.595 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA B 222 88.776 0.190 -1.595 1.00 0.00 H new ATOM 0 HB2 ALA B 222 87.152 0.919 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA B 222 88.025 0.747 -0.081 1.00 0.00 H new ATOM 814 N VAL B 223 88.260 -1.924 1.238 1.00 0.00 N ATOM 815 CA VAL B 223 89.209 -2.729 2.122 1.00 0.00 C ATOM 816 C VAL B 223 88.801 -4.234 2.181 1.00 0.00 C ATOM 817 O VAL B 223 89.665 -5.102 2.106 1.00 0.00 O ATOM 818 CB VAL B 223 89.275 -2.048 3.576 1.00 0.00 C ATOM 819 CG1 VAL B 223 90.292 -2.816 4.557 1.00 0.00 C ATOM 820 CG2 VAL B 223 89.708 -0.502 3.446 1.00 0.00 C ATOM 0 H VAL B 223 87.696 -1.248 1.754 1.00 0.00 H new ATOM 0 HA VAL B 223 90.210 -2.713 1.690 1.00 0.00 H new ATOM 0 HB VAL B 223 88.278 -2.116 4.011 1.00 0.00 H new ATOM 0 HG11 VAL B 223 90.304 -2.321 5.528 1.00 0.00 H new ATOM 0 HG12 VAL B 223 89.968 -3.849 4.680 1.00 0.00 H new ATOM 0 HG13 VAL B 223 91.294 -2.799 4.128 1.00 0.00 H new ATOM 0 HG21 VAL B 223 89.749 -0.051 4.438 1.00 0.00 H new ATOM 0 HG22 VAL B 223 90.690 -0.437 2.977 1.00 0.00 H new ATOM 0 HG23 VAL B 223 88.978 0.030 2.836 1.00 0.00 H new ATOM 830 N VAL B 224 87.482 -4.551 2.342 1.00 0.00 N ATOM 831 CA VAL B 224 87.007 -6.008 2.417 1.00 0.00 C ATOM 832 C VAL B 224 87.197 -6.712 1.044 1.00 0.00 C ATOM 833 O VAL B 224 87.418 -7.910 0.986 1.00 0.00 O ATOM 834 CB VAL B 224 85.494 -6.068 2.943 1.00 0.00 C ATOM 835 CG1 VAL B 224 84.504 -5.333 1.936 1.00 0.00 C ATOM 836 CG2 VAL B 224 85.015 -7.579 3.212 1.00 0.00 C ATOM 0 H VAL B 224 86.736 -3.860 2.422 1.00 0.00 H new ATOM 0 HA VAL B 224 87.617 -6.555 3.136 1.00 0.00 H new ATOM 0 HB VAL B 224 85.465 -5.539 3.896 1.00 0.00 H new ATOM 0 HG11 VAL B 224 83.486 -5.391 2.320 1.00 0.00 H new ATOM 0 HG12 VAL B 224 84.796 -4.287 1.837 1.00 0.00 H new ATOM 0 HG13 VAL B 224 84.552 -5.817 0.961 1.00 0.00 H new ATOM 0 HG21 VAL B 224 83.985 -7.576 3.567 1.00 0.00 H new ATOM 0 HG22 VAL B 224 85.078 -8.151 2.286 1.00 0.00 H new ATOM 0 HG23 VAL B 224 85.657 -8.036 3.965 1.00 0.00 H new ATOM 846 N LEU B 225 87.051 -5.927 -0.060 1.00 0.00 N ATOM 847 CA LEU B 225 87.152 -6.467 -1.483 1.00 0.00 C ATOM 848 C LEU B 225 88.581 -6.992 -1.821 1.00 0.00 C ATOM 849 O LEU B 225 88.715 -8.063 -2.407 1.00 0.00 O ATOM 850 CB LEU B 225 86.709 -5.299 -2.472 1.00 0.00 C ATOM 851 CG LEU B 225 86.755 -5.668 -4.053 1.00 0.00 C ATOM 852 CD1 LEU B 225 85.859 -6.927 -4.405 1.00 0.00 C ATOM 853 CD2 LEU B 225 86.324 -4.406 -4.937 1.00 0.00 C ATOM 0 H LEU B 225 86.864 -4.925 -0.013 1.00 0.00 H new ATOM 0 HA LEU B 225 86.495 -7.329 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU B 225 85.694 -4.996 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU B 225 87.352 -4.436 -2.299 1.00 0.00 H new ATOM 0 HG LEU B 225 87.785 -5.933 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU B 225 85.924 -7.132 -5.473 1.00 0.00 H new ATOM 0 HD12 LEU B 225 86.214 -7.793 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU B 225 84.822 -6.722 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU B 225 86.361 -4.672 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU B 225 85.310 -4.106 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU B 225 87.008 -3.578 -4.747 1.00 0.00 H new ATOM 865 N ILE B 226 89.642 -6.197 -1.501 1.00 0.00 N ATOM 866 CA ILE B 226 91.083 -6.585 -1.851 1.00 0.00 C ATOM 867 C ILE B 226 91.631 -7.780 -0.997 1.00 0.00 C ATOM 868 O ILE B 226 92.300 -8.635 -1.535 1.00 0.00 O ATOM 869 CB ILE B 226 92.037 -5.291 -1.798 1.00 0.00 C ATOM 870 CG1 ILE B 226 93.502 -5.607 -2.427 1.00 0.00 C ATOM 871 CG2 ILE B 226 92.159 -4.719 -0.318 1.00 0.00 C ATOM 872 CD1 ILE B 226 94.390 -4.339 -2.592 1.00 0.00 C ATOM 0 H ILE B 226 89.555 -5.304 -1.015 1.00 0.00 H new ATOM 0 HA ILE B 226 91.080 -6.960 -2.874 1.00 0.00 H new ATOM 0 HB ILE B 226 91.573 -4.520 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE B 226 94.018 -6.322 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE B 226 93.377 -6.083 -3.400 1.00 0.00 H new ATOM 0 HG21 ILE B 226 92.811 -3.845 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE B 226 91.171 -4.435 0.045 1.00 0.00 H new ATOM 0 HG23 ILE B 226 92.579 -5.485 0.334 1.00 0.00 H new ATOM 0 HD11 ILE B 226 95.353 -4.622 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE B 226 93.894 -3.632 -3.257 1.00 0.00 H new ATOM 0 HD13 ILE B 226 94.545 -3.874 -1.618 1.00 0.00 H new ATOM 884 N VAL B 227 91.381 -7.807 0.347 1.00 0.00 N ATOM 885 CA VAL B 227 91.911 -8.929 1.268 1.00 0.00 C ATOM 886 C VAL B 227 91.261 -10.316 0.965 1.00 0.00 C ATOM 887 O VAL B 227 91.893 -11.350 1.131 1.00 0.00 O ATOM 888 CB VAL B 227 91.720 -8.522 2.816 1.00 0.00 C ATOM 889 CG1 VAL B 227 92.476 -7.144 3.134 1.00 0.00 C ATOM 890 CG2 VAL B 227 90.168 -8.389 3.180 1.00 0.00 C ATOM 0 H VAL B 227 90.833 -7.096 0.832 1.00 0.00 H new ATOM 0 HA VAL B 227 92.976 -9.038 1.061 1.00 0.00 H new ATOM 0 HB VAL B 227 92.155 -9.312 3.428 1.00 0.00 H new ATOM 0 HG11 VAL B 227 92.336 -6.886 4.184 1.00 0.00 H new ATOM 0 HG12 VAL B 227 93.540 -7.257 2.927 1.00 0.00 H new ATOM 0 HG13 VAL B 227 92.067 -6.351 2.508 1.00 0.00 H new ATOM 0 HG21 VAL B 227 90.063 -8.114 4.229 1.00 0.00 H new ATOM 0 HG22 VAL B 227 89.712 -7.620 2.556 1.00 0.00 H new ATOM 0 HG23 VAL B 227 89.670 -9.342 3.003 1.00 0.00 H new ATOM 900 N ALA B 228 89.949 -10.296 0.633 1.00 0.00 N ATOM 901 CA ALA B 228 89.113 -11.556 0.431 1.00 0.00 C ATOM 902 C ALA B 228 89.646 -12.516 -0.678 1.00 0.00 C ATOM 903 O ALA B 228 89.445 -13.722 -0.571 1.00 0.00 O ATOM 904 CB ALA B 228 87.632 -11.115 0.118 1.00 0.00 C ATOM 0 H ALA B 228 89.424 -9.432 0.494 1.00 0.00 H new ATOM 0 HA ALA B 228 89.172 -12.137 1.351 1.00 0.00 H new ATOM 0 HB1 ALA B 228 87.013 -12.000 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA B 228 87.241 -10.535 0.954 1.00 0.00 H new ATOM 0 HB3 ALA B 228 87.617 -10.505 -0.786 1.00 0.00 H new ATOM 910 N VAL B 229 90.293 -11.987 -1.754 1.00 0.00 N ATOM 911 CA VAL B 229 90.817 -12.875 -2.896 1.00 0.00 C ATOM 912 C VAL B 229 91.968 -13.799 -2.397 1.00 0.00 C ATOM 913 O VAL B 229 92.097 -14.928 -2.850 1.00 0.00 O ATOM 914 CB VAL B 229 91.240 -12.001 -4.186 1.00 0.00 C ATOM 915 CG1 VAL B 229 90.062 -10.978 -4.560 1.00 0.00 C ATOM 916 CG2 VAL B 229 92.618 -11.210 -3.970 1.00 0.00 C ATOM 0 H VAL B 229 90.473 -10.991 -1.878 1.00 0.00 H new ATOM 0 HA VAL B 229 90.003 -13.523 -3.221 1.00 0.00 H new ATOM 0 HB VAL B 229 91.401 -12.695 -5.011 1.00 0.00 H new ATOM 0 HG11 VAL B 229 90.353 -10.391 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL B 229 89.153 -11.536 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL B 229 89.878 -10.311 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL B 229 92.854 -10.639 -4.868 1.00 0.00 H new ATOM 0 HG22 VAL B 229 92.519 -10.530 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL B 229 93.419 -11.922 -3.771 1.00 0.00 H new ATOM 926 N PHE B 230 92.808 -13.279 -1.449 1.00 0.00 N ATOM 927 CA PHE B 230 93.984 -14.065 -0.867 1.00 0.00 C ATOM 928 C PHE B 230 93.471 -15.274 -0.028 1.00 0.00 C ATOM 929 O PHE B 230 94.105 -16.318 0.009 1.00 0.00 O ATOM 930 CB PHE B 230 94.878 -13.097 0.008 1.00 0.00 C ATOM 931 CG PHE B 230 95.535 -11.979 -0.915 1.00 0.00 C ATOM 932 CD1 PHE B 230 96.841 -12.157 -1.482 1.00 0.00 C ATOM 933 CD2 PHE B 230 94.821 -10.780 -1.223 1.00 0.00 C ATOM 934 CE1 PHE B 230 97.403 -11.163 -2.319 1.00 0.00 C ATOM 935 CE2 PHE B 230 95.396 -9.794 -2.059 1.00 0.00 C ATOM 936 CZ PHE B 230 96.681 -9.985 -2.605 1.00 0.00 C ATOM 0 H PHE B 230 92.710 -12.338 -1.067 1.00 0.00 H new ATOM 0 HA PHE B 230 94.592 -14.465 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE B 230 94.271 -12.629 0.783 1.00 0.00 H new ATOM 0 HB3 PHE B 230 95.657 -13.667 0.514 1.00 0.00 H new ATOM 0 HD1 PHE B 230 97.400 -13.056 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE B 230 93.834 -10.625 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE B 230 98.387 -11.307 -2.740 1.00 0.00 H new ATOM 0 HE2 PHE B 230 94.847 -8.890 -2.280 1.00 0.00 H new ATOM 0 HZ PHE B 230 97.114 -9.229 -3.243 1.00 0.00 H new ATOM 946 N VAL B 231 92.303 -15.096 0.646 1.00 0.00 N ATOM 947 CA VAL B 231 91.666 -16.177 1.519 1.00 0.00 C ATOM 948 C VAL B 231 91.252 -17.393 0.633 1.00 0.00 C ATOM 949 O VAL B 231 91.448 -18.539 1.011 1.00 0.00 O ATOM 950 CB VAL B 231 90.414 -15.557 2.316 1.00 0.00 C ATOM 951 CG1 VAL B 231 89.739 -16.634 3.301 1.00 0.00 C ATOM 952 CG2 VAL B 231 90.878 -14.266 3.153 1.00 0.00 C ATOM 0 H VAL B 231 91.769 -14.227 0.616 1.00 0.00 H new ATOM 0 HA VAL B 231 92.384 -16.536 2.256 1.00 0.00 H new ATOM 0 HB VAL B 231 89.666 -15.266 1.579 1.00 0.00 H new ATOM 0 HG11 VAL B 231 88.898 -16.175 3.820 1.00 0.00 H new ATOM 0 HG12 VAL B 231 89.386 -17.487 2.721 1.00 0.00 H new ATOM 0 HG13 VAL B 231 90.475 -16.971 4.031 1.00 0.00 H new ATOM 0 HG21 VAL B 231 90.023 -13.853 3.689 1.00 0.00 H new ATOM 0 HG22 VAL B 231 91.650 -14.553 3.867 1.00 0.00 H new ATOM 0 HG23 VAL B 231 91.276 -13.514 2.471 1.00 0.00 H new ATOM 962 N CYS B 232 90.664 -17.096 -0.554 1.00 0.00 N ATOM 963 CA CYS B 232 90.188 -18.152 -1.544 1.00 0.00 C ATOM 964 C CYS B 232 91.390 -18.964 -2.120 1.00 0.00 C ATOM 965 O CYS B 232 91.341 -20.183 -2.216 1.00 0.00 O ATOM 966 CB CYS B 232 89.392 -17.425 -2.694 1.00 0.00 C ATOM 967 SG CYS B 232 88.651 -18.618 -3.858 1.00 0.00 S ATOM 0 H CYS B 232 90.499 -16.140 -0.868 1.00 0.00 H new ATOM 0 HA CYS B 232 89.538 -18.866 -1.039 1.00 0.00 H new ATOM 0 HB2 CYS B 232 88.608 -16.806 -2.259 1.00 0.00 H new ATOM 0 HB3 CYS B 232 90.062 -16.757 -3.235 1.00 0.00 H new ATOM 0 HG CYS B 232 88.005 -17.975 -4.785 1.00 0.00 H new ATOM 973 N LYS B 233 92.457 -18.233 -2.514 1.00 0.00 N ATOM 974 CA LYS B 233 93.719 -18.837 -3.114 1.00 0.00 C ATOM 975 C LYS B 233 94.538 -19.606 -2.030 1.00 0.00 C ATOM 976 O LYS B 233 94.985 -20.724 -2.255 1.00 0.00 O ATOM 977 CB LYS B 233 94.572 -17.661 -3.765 1.00 0.00 C ATOM 978 CG LYS B 233 93.816 -16.993 -5.014 1.00 0.00 C ATOM 979 CD LYS B 233 94.651 -15.776 -5.634 1.00 0.00 C ATOM 980 CE LYS B 233 93.922 -15.116 -6.867 1.00 0.00 C ATOM 981 NZ LYS B 233 94.757 -13.994 -7.382 1.00 0.00 N ATOM 0 H LYS B 233 92.491 -17.217 -2.436 1.00 0.00 H new ATOM 0 HA LYS B 233 93.457 -19.564 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS B 233 94.773 -16.899 -3.012 1.00 0.00 H new ATOM 0 HB3 LYS B 233 95.537 -18.050 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS B 233 93.648 -17.747 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS B 233 92.836 -16.637 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS B 233 94.814 -15.021 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS B 233 95.633 -16.133 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS B 233 93.762 -15.857 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS B 233 92.939 -14.749 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 94.283 -13.553 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 94.887 -13.286 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 95.685 -14.359 -7.678 1.00 0.00 H new ATOM 995 N SER B 234 94.736 -18.969 -0.850 1.00 0.00 N ATOM 996 CA SER B 234 95.538 -19.581 0.298 1.00 0.00 C ATOM 997 C SER B 234 94.869 -20.868 0.849 1.00 0.00 C ATOM 998 O SER B 234 95.492 -21.599 1.595 1.00 0.00 O ATOM 999 CB SER B 234 95.689 -18.518 1.440 1.00 0.00 C ATOM 1000 OG SER B 234 94.406 -18.220 1.976 1.00 0.00 O ATOM 0 H SER B 234 94.366 -18.041 -0.645 1.00 0.00 H new ATOM 0 HA SER B 234 96.519 -19.865 -0.082 1.00 0.00 H new ATOM 0 HB2 SER B 234 96.344 -18.899 2.224 1.00 0.00 H new ATOM 0 HB3 SER B 234 96.153 -17.612 1.050 1.00 0.00 H new ATOM 0 HG SER B 234 93.956 -17.565 1.403 1.00 0.00 H new ATOM 1006 N LEU B 235 93.583 -21.105 0.469 1.00 0.00 N ATOM 1007 CA LEU B 235 92.767 -22.317 0.925 1.00 0.00 C ATOM 1008 C LEU B 235 92.949 -23.503 -0.069 1.00 0.00 C ATOM 1009 O LEU B 235 92.902 -24.657 0.332 1.00 0.00 O ATOM 1010 CB LEU B 235 91.248 -21.863 1.022 1.00 0.00 C ATOM 1011 CG LEU B 235 90.202 -23.022 1.463 1.00 0.00 C ATOM 1012 CD1 LEU B 235 90.552 -23.645 2.879 1.00 0.00 C ATOM 1013 CD2 LEU B 235 88.707 -22.455 1.454 1.00 0.00 C ATOM 0 H LEU B 235 93.068 -20.483 -0.154 1.00 0.00 H new ATOM 0 HA LEU B 235 93.108 -22.669 1.899 1.00 0.00 H new ATOM 0 HB2 LEU B 235 91.177 -21.042 1.736 1.00 0.00 H new ATOM 0 HB3 LEU B 235 90.941 -21.470 0.053 1.00 0.00 H new ATOM 0 HG LEU B 235 90.285 -23.826 0.732 1.00 0.00 H new ATOM 0 HD11 LEU B 235 89.822 -24.416 3.128 1.00 0.00 H new ATOM 0 HD12 LEU B 235 91.548 -24.086 2.846 1.00 0.00 H new ATOM 0 HD13 LEU B 235 90.526 -22.862 3.637 1.00 0.00 H new ATOM 0 HD21 LEU B 235 88.017 -23.244 1.752 1.00 0.00 H new ATOM 0 HD22 LEU B 235 88.630 -21.622 2.153 1.00 0.00 H new ATOM 0 HD23 LEU B 235 88.454 -22.112 0.451 1.00 0.00 H new ATOM 1025 N LEU B 236 93.093 -23.182 -1.387 1.00 0.00 N ATOM 1026 CA LEU B 236 93.217 -24.220 -2.517 1.00 0.00 C ATOM 1027 C LEU B 236 94.702 -24.566 -2.842 1.00 0.00 C ATOM 1028 O LEU B 236 94.977 -25.654 -3.331 1.00 0.00 O ATOM 1029 CB LEU B 236 92.476 -23.613 -3.788 1.00 0.00 C ATOM 1030 CG LEU B 236 92.494 -24.542 -5.119 1.00 0.00 C ATOM 1031 CD1 LEU B 236 91.857 -25.972 -4.868 1.00 0.00 C ATOM 1032 CD2 LEU B 236 91.754 -23.800 -6.325 1.00 0.00 C ATOM 0 H LEU B 236 93.129 -22.218 -1.719 1.00 0.00 H new ATOM 0 HA LEU B 236 92.759 -25.160 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU B 236 91.439 -23.413 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU B 236 92.934 -22.654 -4.030 1.00 0.00 H new ATOM 0 HG LEU B 236 93.539 -24.703 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU B 236 91.894 -26.553 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU B 236 92.419 -26.489 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU B 236 90.820 -25.858 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU B 236 91.774 -24.435 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU B 236 90.720 -23.597 -6.048 1.00 0.00 H new ATOM 0 HD23 LEU B 236 92.263 -22.860 -6.541 1.00 0.00 H new ATOM 1214 N LEU C 211 89.460 11.833 17.314 1.00 0.00 N ATOM 1215 CA LEU C 211 88.720 10.506 17.136 1.00 0.00 C ATOM 1216 C LEU C 211 88.128 10.423 15.722 1.00 0.00 C ATOM 1217 O LEU C 211 88.196 9.393 15.076 1.00 0.00 O ATOM 1218 CB LEU C 211 87.612 10.394 18.266 1.00 0.00 C ATOM 1219 CG LEU C 211 86.670 9.059 18.223 1.00 0.00 C ATOM 1220 CD1 LEU C 211 85.475 9.122 17.168 1.00 0.00 C ATOM 1221 CD2 LEU C 211 87.516 7.723 18.050 1.00 0.00 C ATOM 0 HA LEU C 211 89.402 9.662 17.241 1.00 0.00 H new ATOM 0 HB2 LEU C 211 88.107 10.433 19.236 1.00 0.00 H new ATOM 0 HB3 LEU C 211 86.967 11.271 18.202 1.00 0.00 H new ATOM 0 HG LEU C 211 86.196 9.037 19.204 1.00 0.00 H new ATOM 0 HD11 LEU C 211 84.904 8.194 17.209 1.00 0.00 H new ATOM 0 HD12 LEU C 211 84.822 9.961 17.408 1.00 0.00 H new ATOM 0 HD13 LEU C 211 85.882 9.253 16.165 1.00 0.00 H new ATOM 0 HD21 LEU C 211 86.843 6.866 18.027 1.00 0.00 H new ATOM 0 HD22 LEU C 211 88.079 7.767 17.118 1.00 0.00 H new ATOM 0 HD23 LEU C 211 88.207 7.619 18.886 1.00 0.00 H new ATOM 1233 N SER C 212 87.582 11.559 15.241 1.00 0.00 N ATOM 1234 CA SER C 212 86.993 11.663 13.833 1.00 0.00 C ATOM 1235 C SER C 212 88.102 11.390 12.785 1.00 0.00 C ATOM 1236 O SER C 212 87.822 11.019 11.662 1.00 0.00 O ATOM 1237 CB SER C 212 86.396 13.097 13.625 1.00 0.00 C ATOM 1238 OG SER C 212 87.439 14.059 13.750 1.00 0.00 O ATOM 0 H SER C 212 87.523 12.424 15.778 1.00 0.00 H new ATOM 0 HA SER C 212 86.201 10.924 13.710 1.00 0.00 H new ATOM 0 HB2 SER C 212 85.931 13.172 12.642 1.00 0.00 H new ATOM 0 HB3 SER C 212 85.616 13.290 14.362 1.00 0.00 H new ATOM 0 HG SER C 212 87.072 14.958 13.619 1.00 0.00 H new ATOM 1244 N GLY C 213 89.365 11.585 13.233 1.00 0.00 N ATOM 1245 CA GLY C 213 90.608 11.382 12.402 1.00 0.00 C ATOM 1246 C GLY C 213 90.770 9.929 11.916 1.00 0.00 C ATOM 1247 O GLY C 213 91.288 9.694 10.832 1.00 0.00 O ATOM 0 H GLY C 213 89.567 11.890 14.185 1.00 0.00 H new ATOM 0 HA2 GLY C 213 90.576 12.047 11.539 1.00 0.00 H new ATOM 0 HA3 GLY C 213 91.482 11.664 12.989 1.00 0.00 H new ATOM 1251 N ILE C 214 90.328 8.936 12.752 1.00 0.00 N ATOM 1252 CA ILE C 214 90.440 7.441 12.397 1.00 0.00 C ATOM 1253 C ILE C 214 89.630 7.148 11.086 1.00 0.00 C ATOM 1254 O ILE C 214 90.037 6.350 10.255 1.00 0.00 O ATOM 1255 CB ILE C 214 90.013 6.519 13.666 1.00 0.00 C ATOM 1256 CG1 ILE C 214 90.789 5.090 13.678 1.00 0.00 C ATOM 1257 CG2 ILE C 214 88.433 6.286 13.786 1.00 0.00 C ATOM 1258 CD1 ILE C 214 90.588 4.245 12.385 1.00 0.00 C ATOM 0 H ILE C 214 89.898 9.115 13.659 1.00 0.00 H new ATOM 0 HA ILE C 214 91.476 7.178 12.184 1.00 0.00 H new ATOM 0 HB ILE C 214 90.322 7.091 14.541 1.00 0.00 H new ATOM 0 HG12 ILE C 214 91.855 5.269 13.820 1.00 0.00 H new ATOM 0 HG13 ILE C 214 90.446 4.510 14.535 1.00 0.00 H new ATOM 0 HG21 ILE C 214 88.222 5.662 14.655 1.00 0.00 H new ATOM 0 HG22 ILE C 214 87.931 7.247 13.899 1.00 0.00 H new ATOM 0 HG23 ILE C 214 88.069 5.790 12.886 1.00 0.00 H new ATOM 0 HD11 ILE C 214 91.138 3.308 12.474 1.00 0.00 H new ATOM 0 HD12 ILE C 214 89.527 4.032 12.251 1.00 0.00 H new ATOM 0 HD13 ILE C 214 90.958 4.803 11.525 1.00 0.00 H new ATOM 1270 N ILE C 215 88.464 7.844 10.926 1.00 0.00 N ATOM 1271 CA ILE C 215 87.560 7.693 9.693 1.00 0.00 C ATOM 1272 C ILE C 215 88.300 8.240 8.431 1.00 0.00 C ATOM 1273 O ILE C 215 88.135 7.721 7.343 1.00 0.00 O ATOM 1274 CB ILE C 215 86.143 8.443 9.920 1.00 0.00 C ATOM 1275 CG1 ILE C 215 85.465 7.933 11.298 1.00 0.00 C ATOM 1276 CG2 ILE C 215 85.152 8.198 8.672 1.00 0.00 C ATOM 1277 CD1 ILE C 215 84.148 8.685 11.666 1.00 0.00 C ATOM 0 H ILE C 215 88.113 8.511 11.613 1.00 0.00 H new ATOM 0 HA ILE C 215 87.343 6.636 9.537 1.00 0.00 H new ATOM 0 HB ILE C 215 86.326 9.515 9.992 1.00 0.00 H new ATOM 0 HG12 ILE C 215 85.253 6.867 11.215 1.00 0.00 H new ATOM 0 HG13 ILE C 215 86.181 8.054 12.111 1.00 0.00 H new ATOM 0 HG21 ILE C 215 84.208 8.713 8.851 1.00 0.00 H new ATOM 0 HG22 ILE C 215 85.610 8.586 7.762 1.00 0.00 H new ATOM 0 HG23 ILE C 215 84.967 7.130 8.558 1.00 0.00 H new ATOM 0 HD11 ILE C 215 83.752 8.289 12.601 1.00 0.00 H new ATOM 0 HD12 ILE C 215 84.357 9.749 11.782 1.00 0.00 H new ATOM 0 HD13 ILE C 215 83.414 8.544 10.872 1.00 0.00 H new ATOM 1289 N ILE C 216 89.099 9.321 8.607 1.00 0.00 N ATOM 1290 CA ILE C 216 89.892 9.964 7.467 1.00 0.00 C ATOM 1291 C ILE C 216 91.045 9.002 7.035 1.00 0.00 C ATOM 1292 O ILE C 216 91.394 8.911 5.872 1.00 0.00 O ATOM 1293 CB ILE C 216 90.465 11.397 7.922 1.00 0.00 C ATOM 1294 CG1 ILE C 216 89.308 12.298 8.608 1.00 0.00 C ATOM 1295 CG2 ILE C 216 91.129 12.186 6.692 1.00 0.00 C ATOM 1296 CD1 ILE C 216 88.060 12.552 7.716 1.00 0.00 C ATOM 0 H ILE C 216 89.228 9.781 9.508 1.00 0.00 H new ATOM 0 HA ILE C 216 89.237 10.129 6.612 1.00 0.00 H new ATOM 0 HB ILE C 216 91.243 11.211 8.662 1.00 0.00 H new ATOM 0 HG12 ILE C 216 88.986 11.810 9.528 1.00 0.00 H new ATOM 0 HG13 ILE C 216 89.736 13.260 8.890 1.00 0.00 H new ATOM 0 HG21 ILE C 216 91.505 13.149 7.038 1.00 0.00 H new ATOM 0 HG22 ILE C 216 91.953 11.600 6.286 1.00 0.00 H new ATOM 0 HG23 ILE C 216 90.381 12.346 5.916 1.00 0.00 H new ATOM 0 HD11 ILE C 216 87.341 13.164 8.261 1.00 0.00 H new ATOM 0 HD12 ILE C 216 88.362 13.071 6.807 1.00 0.00 H new ATOM 0 HD13 ILE C 216 87.600 11.599 7.454 1.00 0.00 H new ATOM 1308 N TYR C 217 91.656 8.351 8.050 1.00 0.00 N ATOM 1309 CA TYR C 217 92.853 7.422 7.879 1.00 0.00 C ATOM 1310 C TYR C 217 92.559 6.148 7.023 1.00 0.00 C ATOM 1311 O TYR C 217 93.383 5.781 6.189 1.00 0.00 O ATOM 1312 CB TYR C 217 93.385 7.029 9.321 1.00 0.00 C ATOM 1313 CG TYR C 217 94.757 6.222 9.256 1.00 0.00 C ATOM 1314 CD1 TYR C 217 94.783 4.788 9.281 1.00 0.00 C ATOM 1315 CD2 TYR C 217 96.006 6.919 9.156 1.00 0.00 C ATOM 1316 CE1 TYR C 217 96.014 4.096 9.212 1.00 0.00 C ATOM 1317 CE2 TYR C 217 97.221 6.200 9.091 1.00 0.00 C ATOM 1318 CZ TYR C 217 97.219 4.802 9.120 1.00 0.00 C ATOM 1319 OH TYR C 217 98.415 4.112 9.054 1.00 0.00 O ATOM 0 H TYR C 217 91.352 8.438 9.020 1.00 0.00 H new ATOM 0 HA TYR C 217 93.613 7.963 7.315 1.00 0.00 H new ATOM 0 HB2 TYR C 217 93.525 7.933 9.914 1.00 0.00 H new ATOM 0 HB3 TYR C 217 92.634 6.426 9.832 1.00 0.00 H new ATOM 0 HD1 TYR C 217 93.858 4.235 9.353 1.00 0.00 H new ATOM 0 HD2 TYR C 217 96.018 7.999 9.130 1.00 0.00 H new ATOM 0 HE1 TYR C 217 96.025 3.016 9.230 1.00 0.00 H new ATOM 0 HE2 TYR C 217 98.157 6.734 9.018 1.00 0.00 H new ATOM 0 HH TYR C 217 99.157 4.749 8.992 1.00 0.00 H new ATOM 1329 N VAL C 218 91.411 5.436 7.265 1.00 0.00 N ATOM 1330 CA VAL C 218 91.098 4.133 6.498 1.00 0.00 C ATOM 1331 C VAL C 218 91.056 4.374 4.951 1.00 0.00 C ATOM 1332 O VAL C 218 91.361 3.477 4.174 1.00 0.00 O ATOM 1333 CB VAL C 218 89.755 3.431 7.047 1.00 0.00 C ATOM 1334 CG1 VAL C 218 89.924 3.029 8.595 1.00 0.00 C ATOM 1335 CG2 VAL C 218 88.487 4.385 6.866 1.00 0.00 C ATOM 0 H VAL C 218 90.703 5.707 7.948 1.00 0.00 H new ATOM 0 HA VAL C 218 91.914 3.435 6.685 1.00 0.00 H new ATOM 0 HB VAL C 218 89.588 2.528 6.460 1.00 0.00 H new ATOM 0 HG11 VAL C 218 89.008 2.556 8.950 1.00 0.00 H new ATOM 0 HG12 VAL C 218 90.756 2.333 8.701 1.00 0.00 H new ATOM 0 HG13 VAL C 218 90.122 3.925 9.184 1.00 0.00 H new ATOM 0 HG21 VAL C 218 87.597 3.883 7.246 1.00 0.00 H new ATOM 0 HG22 VAL C 218 88.646 5.310 7.420 1.00 0.00 H new ATOM 0 HG23 VAL C 218 88.352 4.614 5.809 1.00 0.00 H new ATOM 1345 N THR C 219 90.669 5.612 4.537 1.00 0.00 N ATOM 1346 CA THR C 219 90.581 6.013 3.063 1.00 0.00 C ATOM 1347 C THR C 219 91.994 6.089 2.435 1.00 0.00 C ATOM 1348 O THR C 219 92.239 5.547 1.371 1.00 0.00 O ATOM 1349 CB THR C 219 89.878 7.440 2.913 1.00 0.00 C ATOM 1350 OG1 THR C 219 90.772 8.465 3.348 1.00 0.00 O ATOM 1351 CG2 THR C 219 88.574 7.561 3.776 1.00 0.00 C ATOM 0 H THR C 219 90.410 6.360 5.181 1.00 0.00 H new ATOM 0 HA THR C 219 89.991 5.256 2.547 1.00 0.00 H new ATOM 0 HB THR C 219 89.618 7.549 1.860 1.00 0.00 H new ATOM 0 HG1 THR C 219 90.703 8.568 4.320 1.00 0.00 H new ATOM 0 HG21 THR C 219 88.136 8.550 3.637 1.00 0.00 H new ATOM 0 HG22 THR C 219 87.859 6.800 3.463 1.00 0.00 H new ATOM 0 HG23 THR C 219 88.819 7.417 4.828 1.00 0.00 H new ATOM 1359 N VAL C 220 92.913 6.793 3.143 1.00 0.00 N ATOM 1360 CA VAL C 220 94.356 6.996 2.693 1.00 0.00 C ATOM 1361 C VAL C 220 95.097 5.633 2.704 1.00 0.00 C ATOM 1362 O VAL C 220 95.946 5.373 1.861 1.00 0.00 O ATOM 1363 CB VAL C 220 95.061 8.078 3.650 1.00 0.00 C ATOM 1364 CG1 VAL C 220 96.579 8.372 3.210 1.00 0.00 C ATOM 1365 CG2 VAL C 220 94.218 9.447 3.651 1.00 0.00 C ATOM 0 H VAL C 220 92.700 7.240 4.035 1.00 0.00 H new ATOM 0 HA VAL C 220 94.390 7.380 1.674 1.00 0.00 H new ATOM 0 HB VAL C 220 95.083 7.659 4.656 1.00 0.00 H new ATOM 0 HG11 VAL C 220 97.017 9.109 3.884 1.00 0.00 H new ATOM 0 HG12 VAL C 220 97.157 7.449 3.257 1.00 0.00 H new ATOM 0 HG13 VAL C 220 96.594 8.758 2.191 1.00 0.00 H new ATOM 0 HG21 VAL C 220 94.704 10.173 4.302 1.00 0.00 H new ATOM 0 HG22 VAL C 220 94.169 9.845 2.637 1.00 0.00 H new ATOM 0 HG23 VAL C 220 93.209 9.253 4.014 1.00 0.00 H new ATOM 1375 N ALA C 221 94.754 4.782 3.703 1.00 0.00 N ATOM 1376 CA ALA C 221 95.386 3.409 3.884 1.00 0.00 C ATOM 1377 C ALA C 221 95.171 2.504 2.628 1.00 0.00 C ATOM 1378 O ALA C 221 96.030 1.705 2.280 1.00 0.00 O ATOM 1379 CB ALA C 221 94.783 2.736 5.172 1.00 0.00 C ATOM 0 H ALA C 221 94.047 5.002 4.405 1.00 0.00 H new ATOM 0 HA ALA C 221 96.463 3.530 4.004 1.00 0.00 H new ATOM 0 HB1 ALA C 221 95.229 1.751 5.311 1.00 0.00 H new ATOM 0 HB2 ALA C 221 94.997 3.357 6.041 1.00 0.00 H new ATOM 0 HB3 ALA C 221 93.704 2.632 5.057 1.00 0.00 H new ATOM 1385 N ALA C 222 93.987 2.637 1.977 1.00 0.00 N ATOM 1386 CA ALA C 222 93.630 1.822 0.741 1.00 0.00 C ATOM 1387 C ALA C 222 94.478 2.271 -0.486 1.00 0.00 C ATOM 1388 O ALA C 222 94.855 1.456 -1.318 1.00 0.00 O ATOM 1389 CB ALA C 222 92.090 1.989 0.466 1.00 0.00 C ATOM 0 H ALA C 222 93.257 3.288 2.267 1.00 0.00 H new ATOM 0 HA ALA C 222 93.856 0.770 0.912 1.00 0.00 H new ATOM 0 HB1 ALA C 222 91.813 1.412 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA C 222 91.526 1.629 1.326 1.00 0.00 H new ATOM 0 HB3 ALA C 222 91.863 3.042 0.298 1.00 0.00 H new ATOM 1395 N VAL C 223 94.726 3.602 -0.587 1.00 0.00 N ATOM 1396 CA VAL C 223 95.503 4.228 -1.742 1.00 0.00 C ATOM 1397 C VAL C 223 97.002 3.798 -1.722 1.00 0.00 C ATOM 1398 O VAL C 223 97.552 3.477 -2.765 1.00 0.00 O ATOM 1399 CB VAL C 223 95.321 5.823 -1.694 1.00 0.00 C ATOM 1400 CG1 VAL C 223 96.140 6.569 -2.861 1.00 0.00 C ATOM 1401 CG2 VAL C 223 93.761 6.204 -1.802 1.00 0.00 C ATOM 0 H VAL C 223 94.409 4.280 0.106 1.00 0.00 H new ATOM 0 HA VAL C 223 95.102 3.864 -2.688 1.00 0.00 H new ATOM 0 HB VAL C 223 95.724 6.163 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL C 223 95.984 7.645 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL C 223 97.202 6.348 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL C 223 95.789 6.220 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL C 223 93.648 7.288 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL C 223 93.358 5.826 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL C 223 93.219 5.757 -0.969 1.00 0.00 H new ATOM 1411 N VAL C 224 97.684 3.828 -0.538 1.00 0.00 N ATOM 1412 CA VAL C 224 99.167 3.446 -0.468 1.00 0.00 C ATOM 1413 C VAL C 224 99.364 1.933 -0.767 1.00 0.00 C ATOM 1414 O VAL C 224 100.376 1.538 -1.315 1.00 0.00 O ATOM 1415 CB VAL C 224 99.803 3.882 0.947 1.00 0.00 C ATOM 1416 CG1 VAL C 224 99.567 5.450 1.195 1.00 0.00 C ATOM 1417 CG2 VAL C 224 99.184 3.040 2.158 1.00 0.00 C ATOM 0 H VAL C 224 97.271 4.097 0.355 1.00 0.00 H new ATOM 0 HA VAL C 224 99.706 3.994 -1.241 1.00 0.00 H new ATOM 0 HB VAL C 224 100.872 3.675 0.908 1.00 0.00 H new ATOM 0 HG11 VAL C 224 100.000 5.736 2.154 1.00 0.00 H new ATOM 0 HG12 VAL C 224 100.043 6.020 0.397 1.00 0.00 H new ATOM 0 HG13 VAL C 224 98.497 5.660 1.203 1.00 0.00 H new ATOM 0 HG21 VAL C 224 99.638 3.363 3.095 1.00 0.00 H new ATOM 0 HG22 VAL C 224 98.107 3.203 2.201 1.00 0.00 H new ATOM 0 HG23 VAL C 224 99.385 1.980 2.004 1.00 0.00 H new ATOM 1427 N LEU C 225 98.371 1.099 -0.351 1.00 0.00 N ATOM 1428 CA LEU C 225 98.426 -0.419 -0.521 1.00 0.00 C ATOM 1429 C LEU C 225 98.442 -0.849 -2.020 1.00 0.00 C ATOM 1430 O LEU C 225 99.251 -1.686 -2.410 1.00 0.00 O ATOM 1431 CB LEU C 225 97.187 -1.026 0.264 1.00 0.00 C ATOM 1432 CG LEU C 225 97.042 -2.639 0.198 1.00 0.00 C ATOM 1433 CD1 LEU C 225 98.339 -3.387 0.715 1.00 0.00 C ATOM 1434 CD2 LEU C 225 95.754 -3.114 1.021 1.00 0.00 C ATOM 0 H LEU C 225 97.520 1.429 0.104 1.00 0.00 H new ATOM 0 HA LEU C 225 99.358 -0.806 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU C 225 97.260 -0.728 1.310 1.00 0.00 H new ATOM 0 HB3 LEU C 225 96.274 -0.580 -0.132 1.00 0.00 H new ATOM 0 HG LEU C 225 96.919 -2.908 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU C 225 98.188 -4.465 0.649 1.00 0.00 H new ATOM 0 HD12 LEU C 225 99.193 -3.102 0.100 1.00 0.00 H new ATOM 0 HD13 LEU C 225 98.530 -3.110 1.752 1.00 0.00 H new ATOM 0 HD21 LEU C 225 95.669 -4.199 0.968 1.00 0.00 H new ATOM 0 HD22 LEU C 225 95.854 -2.808 2.062 1.00 0.00 H new ATOM 0 HD23 LEU C 225 94.861 -2.659 0.593 1.00 0.00 H new ATOM 1446 N ILE C 226 97.529 -0.273 -2.857 1.00 0.00 N ATOM 1447 CA ILE C 226 97.448 -0.626 -4.349 1.00 0.00 C ATOM 1448 C ILE C 226 98.693 -0.050 -5.105 1.00 0.00 C ATOM 1449 O ILE C 226 99.237 -0.701 -5.968 1.00 0.00 O ATOM 1450 CB ILE C 226 96.038 -0.147 -4.945 1.00 0.00 C ATOM 1451 CG1 ILE C 226 95.847 -0.546 -6.504 1.00 0.00 C ATOM 1452 CG2 ILE C 226 95.841 1.417 -4.752 1.00 0.00 C ATOM 1453 CD1 ILE C 226 95.902 -2.075 -6.795 1.00 0.00 C ATOM 0 H ILE C 226 96.846 0.422 -2.556 1.00 0.00 H new ATOM 0 HA ILE C 226 97.486 -1.706 -4.491 1.00 0.00 H new ATOM 0 HB ILE C 226 95.271 -0.677 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE C 226 94.889 -0.158 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE C 226 96.621 -0.050 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE C 226 94.877 1.716 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE C 226 95.872 1.659 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE C 226 96.638 1.951 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE C 226 95.765 -2.247 -7.863 1.00 0.00 H new ATOM 0 HD12 ILE C 226 96.870 -2.470 -6.485 1.00 0.00 H new ATOM 0 HD13 ILE C 226 95.110 -2.579 -6.241 1.00 0.00 H new ATOM 1465 N VAL C 227 99.142 1.180 -4.735 1.00 0.00 N ATOM 1466 CA VAL C 227 100.381 1.867 -5.347 1.00 0.00 C ATOM 1467 C VAL C 227 101.691 1.105 -4.981 1.00 0.00 C ATOM 1468 O VAL C 227 102.650 1.140 -5.745 1.00 0.00 O ATOM 1469 CB VAL C 227 100.447 3.417 -4.904 1.00 0.00 C ATOM 1470 CG1 VAL C 227 101.825 4.140 -5.335 1.00 0.00 C ATOM 1471 CG2 VAL C 227 99.213 4.232 -5.530 1.00 0.00 C ATOM 0 H VAL C 227 98.684 1.741 -4.017 1.00 0.00 H new ATOM 0 HA VAL C 227 100.287 1.835 -6.432 1.00 0.00 H new ATOM 0 HB VAL C 227 100.395 3.423 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL C 227 101.808 5.180 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL C 227 102.666 3.627 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL C 227 101.932 4.102 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL C 227 99.272 5.276 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL C 227 99.252 4.172 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL C 227 98.276 3.802 -5.176 1.00 0.00 H new ATOM 1481 N ALA C 228 101.763 0.545 -3.747 1.00 0.00 N ATOM 1482 CA ALA C 228 103.041 -0.092 -3.201 1.00 0.00 C ATOM 1483 C ALA C 228 103.602 -1.246 -4.092 1.00 0.00 C ATOM 1484 O ALA C 228 104.812 -1.376 -4.214 1.00 0.00 O ATOM 1485 CB ALA C 228 102.759 -0.632 -1.743 1.00 0.00 C ATOM 0 H ALA C 228 100.975 0.509 -3.100 1.00 0.00 H new ATOM 0 HA ALA C 228 103.807 0.684 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA C 228 103.664 -1.089 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA C 228 102.456 0.195 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA C 228 101.962 -1.375 -1.778 1.00 0.00 H new ATOM 1491 N VAL C 229 102.726 -2.090 -4.677 1.00 0.00 N ATOM 1492 CA VAL C 229 103.191 -3.265 -5.544 1.00 0.00 C ATOM 1493 C VAL C 229 103.748 -2.783 -6.923 1.00 0.00 C ATOM 1494 O VAL C 229 104.672 -3.392 -7.456 1.00 0.00 O ATOM 1495 CB VAL C 229 102.017 -4.358 -5.689 1.00 0.00 C ATOM 1496 CG1 VAL C 229 101.487 -4.786 -4.232 1.00 0.00 C ATOM 1497 CG2 VAL C 229 100.802 -3.819 -6.579 1.00 0.00 C ATOM 0 H VAL C 229 101.713 -2.010 -4.587 1.00 0.00 H new ATOM 0 HA VAL C 229 104.026 -3.754 -5.042 1.00 0.00 H new ATOM 0 HB VAL C 229 102.434 -5.227 -6.198 1.00 0.00 H new ATOM 0 HG11 VAL C 229 100.693 -5.525 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL C 229 102.308 -5.214 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL C 229 101.100 -3.909 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL C 229 100.033 -4.589 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL C 229 100.380 -2.927 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL C 229 101.163 -3.574 -7.578 1.00 0.00 H new ATOM 1507 N PHE C 230 103.143 -1.702 -7.514 1.00 0.00 N ATOM 1508 CA PHE C 230 103.584 -1.170 -8.882 1.00 0.00 C ATOM 1509 C PHE C 230 104.977 -0.469 -8.807 1.00 0.00 C ATOM 1510 O PHE C 230 105.797 -0.647 -9.706 1.00 0.00 O ATOM 1511 CB PHE C 230 102.490 -0.177 -9.475 1.00 0.00 C ATOM 1512 CG PHE C 230 101.153 -0.939 -9.890 1.00 0.00 C ATOM 1513 CD1 PHE C 230 99.913 -0.732 -9.199 1.00 0.00 C ATOM 1514 CD2 PHE C 230 101.166 -1.865 -10.987 1.00 0.00 C ATOM 1515 CE1 PHE C 230 98.745 -1.429 -9.593 1.00 0.00 C ATOM 1516 CE2 PHE C 230 99.989 -2.550 -11.367 1.00 0.00 C ATOM 1517 CZ PHE C 230 98.784 -2.335 -10.671 1.00 0.00 C ATOM 0 H PHE C 230 102.371 -1.185 -7.093 1.00 0.00 H new ATOM 0 HA PHE C 230 103.681 -2.025 -9.551 1.00 0.00 H new ATOM 0 HB2 PHE C 230 102.256 0.588 -8.735 1.00 0.00 H new ATOM 0 HB3 PHE C 230 102.900 0.336 -10.345 1.00 0.00 H new ATOM 0 HD1 PHE C 230 99.870 -0.039 -8.372 1.00 0.00 H new ATOM 0 HD2 PHE C 230 102.084 -2.040 -11.528 1.00 0.00 H new ATOM 0 HE1 PHE C 230 97.818 -1.265 -9.064 1.00 0.00 H new ATOM 0 HE2 PHE C 230 100.014 -3.242 -12.196 1.00 0.00 H new ATOM 0 HZ PHE C 230 97.890 -2.865 -10.964 1.00 0.00 H new ATOM 1527 N VAL C 231 105.231 0.355 -7.747 1.00 0.00 N ATOM 1528 CA VAL C 231 106.564 1.108 -7.614 1.00 0.00 C ATOM 1529 C VAL C 231 107.741 0.118 -7.344 1.00 0.00 C ATOM 1530 O VAL C 231 108.843 0.329 -7.830 1.00 0.00 O ATOM 1531 CB VAL C 231 106.446 2.247 -6.486 1.00 0.00 C ATOM 1532 CG1 VAL C 231 105.307 3.308 -6.886 1.00 0.00 C ATOM 1533 CG2 VAL C 231 106.121 1.600 -5.066 1.00 0.00 C ATOM 0 H VAL C 231 104.572 0.526 -6.987 1.00 0.00 H new ATOM 0 HA VAL C 231 106.788 1.605 -8.558 1.00 0.00 H new ATOM 0 HB VAL C 231 107.403 2.765 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL C 231 105.237 4.074 -6.114 1.00 0.00 H new ATOM 0 HG12 VAL C 231 105.562 3.774 -7.838 1.00 0.00 H new ATOM 0 HG13 VAL C 231 104.349 2.796 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL C 231 106.045 2.387 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL C 231 105.177 1.059 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL C 231 106.919 0.911 -4.789 1.00 0.00 H new ATOM 1543 N CYS C 232 107.480 -0.974 -6.558 1.00 0.00 N ATOM 1544 CA CYS C 232 108.541 -2.022 -6.218 1.00 0.00 C ATOM 1545 C CYS C 232 108.956 -2.795 -7.506 1.00 0.00 C ATOM 1546 O CYS C 232 110.113 -3.149 -7.688 1.00 0.00 O ATOM 1547 CB CYS C 232 107.969 -3.002 -5.126 1.00 0.00 C ATOM 1548 SG CYS C 232 107.659 -2.109 -3.571 1.00 0.00 S ATOM 0 H CYS C 232 106.566 -1.164 -6.147 1.00 0.00 H new ATOM 0 HA CYS C 232 109.430 -1.535 -5.818 1.00 0.00 H new ATOM 0 HB2 CYS C 232 107.044 -3.455 -5.483 1.00 0.00 H new ATOM 0 HB3 CYS C 232 108.675 -3.814 -4.952 1.00 0.00 H new ATOM 0 HG CYS C 232 106.448 -1.635 -3.577 1.00 0.00 H new ATOM 1554 N LYS C 233 107.956 -3.032 -8.386 1.00 0.00 N ATOM 1555 CA LYS C 233 108.143 -3.763 -9.709 1.00 0.00 C ATOM 1556 C LYS C 233 108.975 -2.886 -10.685 1.00 0.00 C ATOM 1557 O LYS C 233 109.904 -3.361 -11.326 1.00 0.00 O ATOM 1558 CB LYS C 233 106.699 -4.095 -10.285 1.00 0.00 C ATOM 1559 CG LYS C 233 106.735 -4.960 -11.631 1.00 0.00 C ATOM 1560 CD LYS C 233 105.261 -5.336 -12.135 1.00 0.00 C ATOM 1561 CE LYS C 233 105.278 -6.183 -13.464 1.00 0.00 C ATOM 1562 NZ LYS C 233 103.874 -6.490 -13.862 1.00 0.00 N ATOM 0 H LYS C 233 106.994 -2.734 -8.222 1.00 0.00 H new ATOM 0 HA LYS C 233 108.695 -4.693 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS C 233 106.130 -4.636 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS C 233 106.169 -3.162 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS C 233 107.254 -4.400 -12.409 1.00 0.00 H new ATOM 0 HG3 LYS C 233 107.305 -5.873 -11.461 1.00 0.00 H new ATOM 0 HD2 LYS C 233 104.746 -5.898 -11.356 1.00 0.00 H new ATOM 0 HD3 LYS C 233 104.691 -4.421 -12.298 1.00 0.00 H new ATOM 0 HE2 LYS C 233 105.782 -5.630 -14.257 1.00 0.00 H new ATOM 0 HE3 LYS C 233 105.838 -7.106 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS C 233 103.876 -7.049 -14.739 1.00 0.00 H new ATOM 0 HZ2 LYS C 233 103.410 -7.033 -13.106 1.00 0.00 H new ATOM 0 HZ3 LYS C 233 103.356 -5.602 -14.019 1.00 0.00 H new