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 36:sc= 0.0944 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 THR OG1 : rot -70:sc= 0.0824 USER MOD Single : A 232 CYS SG : rot 180:sc= 0 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 SER OG : rot -84:sc= 1.17 USER MOD Single : B 212 SER OG : rot -30:sc= 0.0181 USER MOD Single : B 217 TYR OH : rot 180:sc= 0 USER MOD Single : B 219 THR OG1 : rot -71:sc= 0.223 USER MOD Single : B 232 CYS SG : rot 90:sc= 1.31 USER MOD Single : B 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 234 SER OG : rot 180:sc= 0 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 -69:sc= 0.0626 USER MOD Single : C 232 CYS SG : rot 77:sc= 1.16 USER MOD Single : C 233 LYS NZ :NH3+ -168:sc= -0.0036 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 212 88.094 20.612 0.422 1.00 0.00 N ATOM 72 CA SER A 212 86.669 20.134 0.680 1.00 0.00 C ATOM 73 C SER A 212 86.182 19.195 -0.454 1.00 0.00 C ATOM 74 O SER A 212 85.464 18.238 -0.218 1.00 0.00 O ATOM 75 CB SER A 212 85.744 21.384 0.834 1.00 0.00 C ATOM 76 OG SER A 212 86.205 22.154 1.937 1.00 0.00 O ATOM 0 HA SER A 212 86.636 19.551 1.600 1.00 0.00 H new ATOM 0 HB2 SER A 212 85.760 21.981 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 212 84.711 21.074 0.994 1.00 0.00 H new ATOM 0 HG SER A 212 87.184 22.117 1.975 1.00 0.00 H new ATOM 82 N GLY A 213 86.571 19.529 -1.691 1.00 0.00 N ATOM 83 CA GLY A 213 86.195 18.735 -2.928 1.00 0.00 C ATOM 84 C GLY A 213 87.003 17.433 -3.035 1.00 0.00 C ATOM 85 O GLY A 213 86.490 16.399 -3.436 1.00 0.00 O ATOM 0 H GLY A 213 87.150 20.345 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 213 85.131 18.502 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 213 86.365 19.343 -3.816 1.00 0.00 H new ATOM 89 N ILE A 214 88.317 17.538 -2.717 1.00 0.00 N ATOM 90 CA ILE A 214 89.312 16.389 -2.819 1.00 0.00 C ATOM 91 C ILE A 214 88.945 15.244 -1.821 1.00 0.00 C ATOM 92 O ILE A 214 88.955 14.078 -2.201 1.00 0.00 O ATOM 93 CB ILE A 214 90.807 16.948 -2.590 1.00 0.00 C ATOM 94 CG1 ILE A 214 91.258 17.959 -3.788 1.00 0.00 C ATOM 95 CG2 ILE A 214 91.898 15.763 -2.477 1.00 0.00 C ATOM 96 CD1 ILE A 214 90.381 19.234 -3.950 1.00 0.00 C ATOM 0 H ILE A 214 88.736 18.406 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 214 89.266 15.955 -3.818 1.00 0.00 H new ATOM 0 HB ILE A 214 90.778 17.489 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 214 92.289 18.267 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 214 91.246 17.409 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 214 92.888 16.193 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 214 91.648 15.117 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 214 91.896 15.177 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 214 90.765 19.838 -4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 214 89.352 18.943 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 214 90.411 19.815 -3.028 1.00 0.00 H new ATOM 108 N ILE A 215 88.658 15.581 -0.526 1.00 0.00 N ATOM 109 CA ILE A 215 88.330 14.519 0.540 1.00 0.00 C ATOM 110 C ILE A 215 87.109 13.634 0.115 1.00 0.00 C ATOM 111 O ILE A 215 87.071 12.449 0.421 1.00 0.00 O ATOM 112 CB ILE A 215 88.159 15.189 1.991 1.00 0.00 C ATOM 113 CG1 ILE A 215 87.971 14.064 3.146 1.00 0.00 C ATOM 114 CG2 ILE A 215 86.957 16.229 1.996 1.00 0.00 C ATOM 115 CD1 ILE A 215 88.007 14.650 4.590 1.00 0.00 C ATOM 0 H ILE A 215 88.641 16.541 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 215 89.177 13.837 0.616 1.00 0.00 H new ATOM 0 HB ILE A 215 89.076 15.734 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 215 87.021 13.552 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 215 88.757 13.315 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 215 86.861 16.669 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 215 87.153 17.016 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 215 86.031 15.716 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 215 87.876 13.845 5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 215 88.967 15.138 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 215 87.204 15.378 4.707 1.00 0.00 H new ATOM 127 N ILE A 216 86.114 14.229 -0.603 1.00 0.00 N ATOM 128 CA ILE A 216 84.891 13.455 -1.111 1.00 0.00 C ATOM 129 C ILE A 216 85.342 12.474 -2.251 1.00 0.00 C ATOM 130 O ILE A 216 84.862 11.354 -2.353 1.00 0.00 O ATOM 131 CB ILE A 216 83.764 14.489 -1.630 1.00 0.00 C ATOM 132 CG1 ILE A 216 83.352 15.501 -0.433 1.00 0.00 C ATOM 133 CG2 ILE A 216 82.462 13.717 -2.184 1.00 0.00 C ATOM 134 CD1 ILE A 216 82.404 16.652 -0.889 1.00 0.00 C ATOM 0 H ILE A 216 86.112 15.219 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 216 84.455 12.868 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 216 84.185 15.060 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 216 82.866 14.933 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 216 84.257 15.934 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 216 81.725 14.444 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 216 82.747 13.073 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 216 82.032 13.111 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 216 82.170 17.290 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 216 82.896 17.244 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 216 81.483 16.228 -1.288 1.00 0.00 H new ATOM 146 N TYR A 217 86.209 13.001 -3.147 1.00 0.00 N ATOM 147 CA TYR A 217 86.709 12.278 -4.394 1.00 0.00 C ATOM 148 C TYR A 217 87.626 11.031 -4.136 1.00 0.00 C ATOM 149 O TYR A 217 87.528 10.056 -4.872 1.00 0.00 O ATOM 150 CB TYR A 217 87.457 13.340 -5.313 1.00 0.00 C ATOM 151 CG TYR A 217 86.607 14.616 -5.776 1.00 0.00 C ATOM 152 CD1 TYR A 217 87.285 15.665 -6.496 1.00 0.00 C ATOM 153 CD2 TYR A 217 85.194 14.792 -5.528 1.00 0.00 C ATOM 154 CE1 TYR A 217 86.587 16.812 -6.936 1.00 0.00 C ATOM 155 CE2 TYR A 217 84.529 15.958 -5.985 1.00 0.00 C ATOM 156 CZ TYR A 217 85.223 16.950 -6.679 1.00 0.00 C ATOM 157 OH TYR A 217 84.553 18.080 -7.117 1.00 0.00 O ATOM 0 H TYR A 217 86.596 13.939 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 217 85.830 11.859 -4.883 1.00 0.00 H new ATOM 0 HB2 TYR A 217 88.337 13.694 -4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 217 87.813 12.826 -6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 217 88.341 15.573 -6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 217 84.643 14.033 -4.993 1.00 0.00 H new ATOM 0 HE1 TYR A 217 87.113 17.587 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 217 83.473 16.080 -5.794 1.00 0.00 H new ATOM 0 HH TYR A 217 83.609 18.022 -6.859 1.00 0.00 H new ATOM 167 N VAL A 218 88.570 11.088 -3.156 1.00 0.00 N ATOM 168 CA VAL A 218 89.561 9.930 -2.922 1.00 0.00 C ATOM 169 C VAL A 218 88.844 8.568 -2.623 1.00 0.00 C ATOM 170 O VAL A 218 89.365 7.512 -2.968 1.00 0.00 O ATOM 171 CB VAL A 218 90.610 10.310 -1.761 1.00 0.00 C ATOM 172 CG1 VAL A 218 91.558 11.525 -2.220 1.00 0.00 C ATOM 173 CG2 VAL A 218 89.835 10.690 -0.420 1.00 0.00 C ATOM 0 H VAL A 218 88.687 11.879 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 218 90.110 9.785 -3.852 1.00 0.00 H new ATOM 0 HB VAL A 218 91.239 9.440 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 218 92.258 11.763 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 218 92.113 11.236 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 218 90.947 12.400 -2.440 1.00 0.00 H new ATOM 0 HG21 VAL A 218 90.556 10.945 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 218 89.184 11.544 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 218 89.235 9.841 -0.094 1.00 0.00 H new ATOM 183 N THR A 219 87.670 8.615 -1.942 1.00 0.00 N ATOM 184 CA THR A 219 86.893 7.358 -1.550 1.00 0.00 C ATOM 185 C THR A 219 86.307 6.610 -2.782 1.00 0.00 C ATOM 186 O THR A 219 86.482 5.402 -2.914 1.00 0.00 O ATOM 187 CB THR A 219 85.709 7.766 -0.572 1.00 0.00 C ATOM 188 OG1 THR A 219 84.766 8.551 -1.300 1.00 0.00 O ATOM 189 CG2 THR A 219 86.212 8.628 0.648 1.00 0.00 C ATOM 0 H THR A 219 87.227 9.485 -1.646 1.00 0.00 H new ATOM 0 HA THR A 219 87.590 6.679 -1.059 1.00 0.00 H new ATOM 0 HB THR A 219 85.268 6.847 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 219 85.157 9.426 -1.503 1.00 0.00 H new ATOM 0 HG21 THR A 219 85.366 8.882 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 219 86.942 8.056 1.221 1.00 0.00 H new ATOM 0 HG23 THR A 219 86.676 9.543 0.280 1.00 0.00 H new ATOM 197 N VAL A 220 85.606 7.350 -3.685 1.00 0.00 N ATOM 198 CA VAL A 220 84.981 6.738 -4.943 1.00 0.00 C ATOM 199 C VAL A 220 86.095 6.376 -5.957 1.00 0.00 C ATOM 200 O VAL A 220 85.964 5.423 -6.713 1.00 0.00 O ATOM 201 CB VAL A 220 83.876 7.733 -5.547 1.00 0.00 C ATOM 202 CG1 VAL A 220 84.509 9.149 -5.906 1.00 0.00 C ATOM 203 CG2 VAL A 220 83.135 7.096 -6.822 1.00 0.00 C ATOM 0 H VAL A 220 85.449 8.353 -3.590 1.00 0.00 H new ATOM 0 HA VAL A 220 84.464 5.811 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 220 83.124 7.886 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 220 83.736 9.801 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 220 84.927 9.600 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 220 85.299 9.018 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 220 82.395 7.800 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 220 83.868 6.885 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 220 82.639 6.170 -6.530 1.00 0.00 H new ATOM 213 N ALA A 221 87.200 7.176 -5.957 1.00 0.00 N ATOM 214 CA ALA A 221 88.382 6.965 -6.896 1.00 0.00 C ATOM 215 C ALA A 221 89.042 5.568 -6.677 1.00 0.00 C ATOM 216 O ALA A 221 89.575 4.974 -7.604 1.00 0.00 O ATOM 217 CB ALA A 221 89.434 8.116 -6.695 1.00 0.00 C ATOM 0 H ALA A 221 87.313 7.972 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 221 88.015 6.994 -7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 221 90.277 7.960 -7.369 1.00 0.00 H new ATOM 0 HB2 ALA A 221 88.968 9.077 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 221 89.788 8.110 -5.664 1.00 0.00 H new ATOM 223 N ALA A 222 89.044 5.097 -5.404 1.00 0.00 N ATOM 224 CA ALA A 222 89.681 3.770 -5.021 1.00 0.00 C ATOM 225 C ALA A 222 88.883 2.562 -5.597 1.00 0.00 C ATOM 226 O ALA A 222 89.464 1.578 -6.029 1.00 0.00 O ATOM 227 CB ALA A 222 89.755 3.691 -3.449 1.00 0.00 C ATOM 0 H ALA A 222 88.622 5.595 -4.620 1.00 0.00 H new ATOM 0 HA ALA A 222 90.683 3.717 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 222 90.209 2.745 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 222 90.357 4.517 -3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 222 88.749 3.756 -3.034 1.00 0.00 H new ATOM 233 N VAL A 223 87.538 2.656 -5.532 1.00 0.00 N ATOM 234 CA VAL A 223 86.593 1.550 -5.993 1.00 0.00 C ATOM 235 C VAL A 223 86.634 1.361 -7.542 1.00 0.00 C ATOM 236 O VAL A 223 86.641 0.227 -8.016 1.00 0.00 O ATOM 237 CB VAL A 223 85.113 1.877 -5.455 1.00 0.00 C ATOM 238 CG1 VAL A 223 84.061 0.725 -5.843 1.00 0.00 C ATOM 239 CG2 VAL A 223 85.134 2.083 -3.858 1.00 0.00 C ATOM 0 H VAL A 223 87.056 3.478 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 223 86.917 0.598 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 223 84.789 2.798 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 223 83.075 0.988 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 223 84.014 0.626 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 223 84.380 -0.221 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 223 84.126 2.304 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 223 85.494 1.173 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 223 85.796 2.912 -3.607 1.00 0.00 H new ATOM 249 N VAL A 224 86.630 2.478 -8.333 1.00 0.00 N ATOM 250 CA VAL A 224 86.639 2.386 -9.862 1.00 0.00 C ATOM 251 C VAL A 224 87.985 1.793 -10.372 1.00 0.00 C ATOM 252 O VAL A 224 88.030 1.147 -11.409 1.00 0.00 O ATOM 253 CB VAL A 224 86.309 3.817 -10.527 1.00 0.00 C ATOM 254 CG1 VAL A 224 84.888 4.353 -10.005 1.00 0.00 C ATOM 255 CG2 VAL A 224 87.450 4.880 -10.195 1.00 0.00 C ATOM 0 H VAL A 224 86.621 3.431 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 224 85.850 1.702 -10.173 1.00 0.00 H new ATOM 0 HB VAL A 224 86.268 3.688 -11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 224 84.674 5.320 -10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 224 84.108 3.643 -10.279 1.00 0.00 H new ATOM 0 HG13 VAL A 224 84.916 4.460 -8.921 1.00 0.00 H new ATOM 0 HG21 VAL A 224 87.202 5.836 -10.656 1.00 0.00 H new ATOM 0 HG22 VAL A 224 87.526 5.007 -9.115 1.00 0.00 H new ATOM 0 HG23 VAL A 224 88.403 4.525 -10.587 1.00 0.00 H new ATOM 265 N LEU A 225 89.094 2.082 -9.627 1.00 0.00 N ATOM 266 CA LEU A 225 90.497 1.623 -10.009 1.00 0.00 C ATOM 267 C LEU A 225 90.605 0.067 -10.112 1.00 0.00 C ATOM 268 O LEU A 225 91.321 -0.438 -10.970 1.00 0.00 O ATOM 269 CB LEU A 225 91.524 2.221 -8.951 1.00 0.00 C ATOM 270 CG LEU A 225 93.087 1.871 -9.227 1.00 0.00 C ATOM 271 CD1 LEU A 225 93.576 2.362 -10.654 1.00 0.00 C ATOM 272 CD2 LEU A 225 94.012 2.490 -8.075 1.00 0.00 C ATOM 0 H LEU A 225 89.061 2.625 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 225 90.738 1.996 -11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 225 91.409 3.305 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 225 91.256 1.853 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 225 93.178 0.785 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 225 94.626 2.103 -10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 225 92.982 1.878 -11.429 1.00 0.00 H new ATOM 0 HD13 LEU A 225 93.456 3.443 -10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 225 95.055 2.246 -8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 225 93.890 3.573 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 225 93.721 2.073 -7.111 1.00 0.00 H new ATOM 284 N ILE A 226 89.918 -0.681 -9.196 1.00 0.00 N ATOM 285 CA ILE A 226 89.994 -2.215 -9.185 1.00 0.00 C ATOM 286 C ILE A 226 89.259 -2.849 -10.416 1.00 0.00 C ATOM 287 O ILE A 226 89.829 -3.663 -11.118 1.00 0.00 O ATOM 288 CB ILE A 226 89.369 -2.792 -7.816 1.00 0.00 C ATOM 289 CG1 ILE A 226 89.975 -2.022 -6.527 1.00 0.00 C ATOM 290 CG2 ILE A 226 89.597 -4.382 -7.673 1.00 0.00 C ATOM 291 CD1 ILE A 226 91.522 -2.105 -6.388 1.00 0.00 C ATOM 0 H ILE A 226 89.320 -0.284 -8.471 1.00 0.00 H new ATOM 0 HA ILE A 226 91.047 -2.490 -9.251 1.00 0.00 H new ATOM 0 HB ILE A 226 88.295 -2.611 -7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 226 89.684 -0.973 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 226 89.520 -2.436 -5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 226 89.160 -4.729 -6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 226 89.120 -4.895 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 226 90.665 -4.598 -7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 226 91.837 -1.561 -5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 226 91.824 -3.149 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 226 91.991 -1.663 -7.267 1.00 0.00 H new ATOM 303 N VAL A 227 87.962 -2.501 -10.596 1.00 0.00 N ATOM 304 CA VAL A 227 87.071 -3.093 -11.693 1.00 0.00 C ATOM 305 C VAL A 227 87.496 -2.701 -13.141 1.00 0.00 C ATOM 306 O VAL A 227 87.328 -3.489 -14.061 1.00 0.00 O ATOM 307 CB VAL A 227 85.538 -2.707 -11.389 1.00 0.00 C ATOM 308 CG1 VAL A 227 85.098 -3.258 -9.944 1.00 0.00 C ATOM 309 CG2 VAL A 227 85.332 -1.124 -11.451 1.00 0.00 C ATOM 0 H VAL A 227 87.485 -1.816 -10.010 1.00 0.00 H new ATOM 0 HA VAL A 227 87.192 -4.176 -11.663 1.00 0.00 H new ATOM 0 HB VAL A 227 84.913 -3.171 -12.152 1.00 0.00 H new ATOM 0 HG11 VAL A 227 84.059 -2.989 -9.753 1.00 0.00 H new ATOM 0 HG12 VAL A 227 85.202 -4.343 -9.921 1.00 0.00 H new ATOM 0 HG13 VAL A 227 85.734 -2.816 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 227 84.289 -0.884 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 227 85.970 -0.645 -10.708 1.00 0.00 H new ATOM 0 HG23 VAL A 227 85.596 -0.761 -12.444 1.00 0.00 H new ATOM 319 N ALA A 228 87.960 -1.441 -13.331 1.00 0.00 N ATOM 320 CA ALA A 228 88.318 -0.879 -14.711 1.00 0.00 C ATOM 321 C ALA A 228 89.426 -1.698 -15.440 1.00 0.00 C ATOM 322 O ALA A 228 89.297 -2.003 -16.622 1.00 0.00 O ATOM 323 CB ALA A 228 88.747 0.626 -14.538 1.00 0.00 C ATOM 0 H ALA A 228 88.103 -0.778 -12.569 1.00 0.00 H new ATOM 0 HA ALA A 228 87.437 -0.954 -15.349 1.00 0.00 H new ATOM 0 HB1 ALA A 228 89.006 1.045 -15.511 1.00 0.00 H new ATOM 0 HB2 ALA A 228 87.921 1.193 -14.107 1.00 0.00 H new ATOM 0 HB3 ALA A 228 89.611 0.684 -13.876 1.00 0.00 H new ATOM 329 N VAL A 229 90.515 -2.045 -14.724 1.00 0.00 N ATOM 330 CA VAL A 229 91.654 -2.868 -15.319 1.00 0.00 C ATOM 331 C VAL A 229 91.188 -4.342 -15.496 1.00 0.00 C ATOM 332 O VAL A 229 91.618 -5.036 -16.402 1.00 0.00 O ATOM 333 CB VAL A 229 92.967 -2.738 -14.400 1.00 0.00 C ATOM 334 CG1 VAL A 229 93.441 -1.205 -14.334 1.00 0.00 C ATOM 335 CG2 VAL A 229 92.702 -3.294 -12.920 1.00 0.00 C ATOM 0 H VAL A 229 90.654 -1.786 -13.747 1.00 0.00 H new ATOM 0 HA VAL A 229 91.921 -2.488 -16.305 1.00 0.00 H new ATOM 0 HB VAL A 229 93.755 -3.342 -14.850 1.00 0.00 H new ATOM 0 HG11 VAL A 229 94.331 -1.126 -13.710 1.00 0.00 H new ATOM 0 HG12 VAL A 229 93.671 -0.852 -15.339 1.00 0.00 H new ATOM 0 HG13 VAL A 229 92.644 -0.596 -13.908 1.00 0.00 H new ATOM 0 HG21 VAL A 229 93.609 -3.191 -12.325 1.00 0.00 H new ATOM 0 HG22 VAL A 229 91.897 -2.724 -12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 229 92.419 -4.345 -12.972 1.00 0.00 H new ATOM 345 N PHE A 230 90.332 -4.804 -14.546 1.00 0.00 N ATOM 346 CA PHE A 230 89.814 -6.240 -14.506 1.00 0.00 C ATOM 347 C PHE A 230 88.982 -6.606 -15.769 1.00 0.00 C ATOM 348 O PHE A 230 89.162 -7.678 -16.332 1.00 0.00 O ATOM 349 CB PHE A 230 88.939 -6.409 -13.185 1.00 0.00 C ATOM 350 CG PHE A 230 88.800 -7.920 -12.708 1.00 0.00 C ATOM 351 CD1 PHE A 230 89.539 -8.412 -11.573 1.00 0.00 C ATOM 352 CD2 PHE A 230 87.921 -8.821 -13.386 1.00 0.00 C ATOM 353 CE1 PHE A 230 89.395 -9.746 -11.147 1.00 0.00 C ATOM 354 CE2 PHE A 230 87.791 -10.161 -12.946 1.00 0.00 C ATOM 355 CZ PHE A 230 88.525 -10.621 -11.830 1.00 0.00 C ATOM 0 H PHE A 230 89.974 -4.221 -13.790 1.00 0.00 H new ATOM 0 HA PHE A 230 90.663 -6.923 -14.496 1.00 0.00 H new ATOM 0 HB2 PHE A 230 89.388 -5.823 -12.383 1.00 0.00 H new ATOM 0 HB3 PHE A 230 87.945 -5.999 -13.362 1.00 0.00 H new ATOM 0 HD1 PHE A 230 90.210 -7.751 -11.044 1.00 0.00 H new ATOM 0 HD2 PHE A 230 87.353 -8.478 -14.238 1.00 0.00 H new ATOM 0 HE1 PHE A 230 89.953 -10.101 -10.293 1.00 0.00 H new ATOM 0 HE2 PHE A 230 87.127 -10.835 -13.467 1.00 0.00 H new ATOM 0 HZ PHE A 230 88.420 -11.644 -11.500 1.00 0.00 H new ATOM 365 N VAL A 231 88.072 -5.684 -16.215 1.00 0.00 N ATOM 366 CA VAL A 231 87.210 -5.928 -17.457 1.00 0.00 C ATOM 367 C VAL A 231 88.091 -5.895 -18.737 1.00 0.00 C ATOM 368 O VAL A 231 87.849 -6.625 -19.686 1.00 0.00 O ATOM 369 CB VAL A 231 85.978 -4.892 -17.523 1.00 0.00 C ATOM 370 CG1 VAL A 231 84.986 -5.121 -16.276 1.00 0.00 C ATOM 371 CG2 VAL A 231 86.495 -3.381 -17.540 1.00 0.00 C ATOM 0 H VAL A 231 87.906 -4.786 -15.761 1.00 0.00 H new ATOM 0 HA VAL A 231 86.769 -6.923 -17.392 1.00 0.00 H new ATOM 0 HB VAL A 231 85.434 -5.077 -18.450 1.00 0.00 H new ATOM 0 HG11 VAL A 231 84.159 -4.414 -16.335 1.00 0.00 H new ATOM 0 HG12 VAL A 231 84.596 -6.139 -16.303 1.00 0.00 H new ATOM 0 HG13 VAL A 231 85.531 -4.966 -15.345 1.00 0.00 H new ATOM 0 HG21 VAL A 231 85.641 -2.705 -17.585 1.00 0.00 H new ATOM 0 HG22 VAL A 231 87.068 -3.182 -16.634 1.00 0.00 H new ATOM 0 HG23 VAL A 231 87.129 -3.223 -18.412 1.00 0.00 H new ATOM 381 N CYS A 232 89.112 -5.000 -18.729 1.00 0.00 N ATOM 382 CA CYS A 232 90.063 -4.805 -19.900 1.00 0.00 C ATOM 383 C CYS A 232 90.964 -6.057 -20.125 1.00 0.00 C ATOM 384 O CYS A 232 91.118 -6.525 -21.243 1.00 0.00 O ATOM 385 CB CYS A 232 90.936 -3.525 -19.613 1.00 0.00 C ATOM 386 SG CYS A 232 91.998 -3.100 -21.034 1.00 0.00 S ATOM 0 H CYS A 232 89.314 -4.393 -17.934 1.00 0.00 H new ATOM 0 HA CYS A 232 89.488 -4.670 -20.816 1.00 0.00 H new ATOM 0 HB2 CYS A 232 90.283 -2.683 -19.382 1.00 0.00 H new ATOM 0 HB3 CYS A 232 91.557 -3.697 -18.734 1.00 0.00 H new ATOM 0 HG CYS A 232 92.696 -2.040 -20.752 1.00 0.00 H new ATOM 392 N LYS A 233 91.576 -6.565 -19.032 1.00 0.00 N ATOM 393 CA LYS A 233 92.511 -7.768 -19.086 1.00 0.00 C ATOM 394 C LYS A 233 91.713 -9.079 -19.333 1.00 0.00 C ATOM 395 O LYS A 233 92.116 -9.908 -20.134 1.00 0.00 O ATOM 396 CB LYS A 233 93.335 -7.824 -17.723 1.00 0.00 C ATOM 397 CG LYS A 233 94.337 -6.582 -17.581 1.00 0.00 C ATOM 398 CD LYS A 233 95.069 -6.530 -16.153 1.00 0.00 C ATOM 399 CE LYS A 233 96.034 -7.756 -15.898 1.00 0.00 C ATOM 400 NZ LYS A 233 96.824 -7.517 -14.651 1.00 0.00 N ATOM 0 H LYS A 233 91.456 -6.180 -18.095 1.00 0.00 H new ATOM 0 HA LYS A 233 93.206 -7.666 -19.920 1.00 0.00 H new ATOM 0 HB2 LYS A 233 92.644 -7.831 -16.880 1.00 0.00 H new ATOM 0 HB3 LYS A 233 93.901 -8.754 -17.679 1.00 0.00 H new ATOM 0 HG2 LYS A 233 95.090 -6.637 -18.368 1.00 0.00 H new ATOM 0 HG3 LYS A 233 93.783 -5.656 -17.734 1.00 0.00 H new ATOM 0 HD2 LYS A 233 95.641 -5.605 -16.080 1.00 0.00 H new ATOM 0 HD3 LYS A 233 94.314 -6.501 -15.367 1.00 0.00 H new ATOM 0 HE2 LYS A 233 95.455 -8.675 -15.804 1.00 0.00 H new ATOM 0 HE3 LYS A 233 96.705 -7.887 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 233 97.459 -8.323 -14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 233 97.387 -6.649 -14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 233 96.176 -7.412 -13.844 1.00 0.00 H new ATOM 414 N SER A 234 90.589 -9.253 -18.605 1.00 0.00 N ATOM 415 CA SER A 234 89.719 -10.502 -18.703 1.00 0.00 C ATOM 416 C SER A 234 89.051 -10.669 -20.100 1.00 0.00 C ATOM 417 O SER A 234 88.912 -11.783 -20.579 1.00 0.00 O ATOM 418 CB SER A 234 88.619 -10.443 -17.585 1.00 0.00 C ATOM 419 OG SER A 234 87.731 -9.364 -17.853 1.00 0.00 O ATOM 0 H SER A 234 90.242 -8.563 -17.939 1.00 0.00 H new ATOM 0 HA SER A 234 90.366 -11.368 -18.564 1.00 0.00 H new ATOM 0 HB2 SER A 234 88.068 -11.383 -17.552 1.00 0.00 H new ATOM 0 HB3 SER A 234 89.084 -10.312 -16.608 1.00 0.00 H new ATOM 0 HG SER A 234 88.113 -8.531 -17.505 1.00 0.00 H new ATOM 425 N LEU A 235 88.585 -9.548 -20.710 1.00 0.00 N ATOM 426 CA LEU A 235 87.851 -9.582 -22.055 1.00 0.00 C ATOM 427 C LEU A 235 88.821 -9.877 -23.240 1.00 0.00 C ATOM 428 O LEU A 235 88.446 -10.554 -24.189 1.00 0.00 O ATOM 429 CB LEU A 235 87.110 -8.191 -22.241 1.00 0.00 C ATOM 430 CG LEU A 235 86.243 -8.045 -23.606 1.00 0.00 C ATOM 431 CD1 LEU A 235 85.113 -9.154 -23.728 1.00 0.00 C ATOM 432 CD2 LEU A 235 85.616 -6.579 -23.712 1.00 0.00 C ATOM 0 H LEU A 235 88.690 -8.611 -20.320 1.00 0.00 H new ATOM 0 HA LEU A 235 87.125 -10.395 -22.056 1.00 0.00 H new ATOM 0 HB2 LEU A 235 86.447 -8.034 -21.390 1.00 0.00 H new ATOM 0 HB3 LEU A 235 87.854 -7.395 -22.216 1.00 0.00 H new ATOM 0 HG LEU A 235 86.926 -8.200 -24.442 1.00 0.00 H new ATOM 0 HD11 LEU A 235 84.562 -9.012 -24.658 1.00 0.00 H new ATOM 0 HD12 LEU A 235 85.572 -10.143 -23.726 1.00 0.00 H new ATOM 0 HD13 LEU A 235 84.428 -9.070 -22.884 1.00 0.00 H new ATOM 0 HD21 LEU A 235 85.038 -6.496 -24.632 1.00 0.00 H new ATOM 0 HD22 LEU A 235 84.965 -6.399 -22.857 1.00 0.00 H new ATOM 0 HD23 LEU A 235 86.417 -5.840 -23.720 1.00 0.00 H new ATOM 444 N LEU A 236 90.057 -9.318 -23.178 1.00 0.00 N ATOM 445 CA LEU A 236 91.117 -9.470 -24.283 1.00 0.00 C ATOM 446 C LEU A 236 91.911 -10.803 -24.125 1.00 0.00 C ATOM 447 O LEU A 236 92.460 -11.292 -25.106 1.00 0.00 O ATOM 448 CB LEU A 236 92.084 -8.184 -24.270 1.00 0.00 C ATOM 449 CG LEU A 236 91.508 -6.922 -25.116 1.00 0.00 C ATOM 450 CD1 LEU A 236 90.067 -6.472 -24.628 1.00 0.00 C ATOM 451 CD2 LEU A 236 92.531 -5.697 -25.073 1.00 0.00 C ATOM 0 H LEU A 236 90.371 -8.754 -22.388 1.00 0.00 H new ATOM 0 HA LEU A 236 90.623 -9.521 -25.253 1.00 0.00 H new ATOM 0 HB2 LEU A 236 92.247 -7.874 -23.238 1.00 0.00 H new ATOM 0 HB3 LEU A 236 93.056 -8.468 -24.674 1.00 0.00 H new ATOM 0 HG LEU A 236 91.403 -7.253 -26.149 1.00 0.00 H new ATOM 0 HD11 LEU A 236 89.728 -5.626 -25.226 1.00 0.00 H new ATOM 0 HD12 LEU A 236 89.368 -7.301 -24.744 1.00 0.00 H new ATOM 0 HD13 LEU A 236 90.113 -6.180 -23.579 1.00 0.00 H new ATOM 0 HD21 LEU A 236 92.125 -4.863 -25.646 1.00 0.00 H new ATOM 0 HD22 LEU A 236 92.684 -5.387 -24.039 1.00 0.00 H new ATOM 0 HD23 LEU A 236 93.484 -6.003 -25.504 1.00 0.00 H new ATOM 652 N SER B 212 74.243 9.814 4.082 1.00 0.00 N ATOM 653 CA SER B 212 75.370 10.022 5.090 1.00 0.00 C ATOM 654 C SER B 212 75.880 8.668 5.635 1.00 0.00 C ATOM 655 O SER B 212 77.013 8.564 6.052 1.00 0.00 O ATOM 656 CB SER B 212 74.872 10.923 6.269 1.00 0.00 C ATOM 657 OG SER B 212 73.836 10.245 6.975 1.00 0.00 O ATOM 0 HA SER B 212 76.197 10.519 4.583 1.00 0.00 H new ATOM 0 HB2 SER B 212 75.698 11.150 6.943 1.00 0.00 H new ATOM 0 HB3 SER B 212 74.504 11.874 5.885 1.00 0.00 H new ATOM 0 HG SER B 212 73.352 9.656 6.359 1.00 0.00 H new ATOM 663 N GLY B 213 74.994 7.659 5.617 1.00 0.00 N ATOM 664 CA GLY B 213 75.312 6.250 6.075 1.00 0.00 C ATOM 665 C GLY B 213 76.162 5.496 5.033 1.00 0.00 C ATOM 666 O GLY B 213 77.102 4.790 5.368 1.00 0.00 O ATOM 0 H GLY B 213 74.034 7.771 5.290 1.00 0.00 H new ATOM 0 HA2 GLY B 213 75.846 6.287 7.024 1.00 0.00 H new ATOM 0 HA3 GLY B 213 74.384 5.706 6.252 1.00 0.00 H new ATOM 670 N ILE B 214 75.750 5.632 3.746 1.00 0.00 N ATOM 671 CA ILE B 214 76.388 4.925 2.547 1.00 0.00 C ATOM 672 C ILE B 214 77.900 5.281 2.409 1.00 0.00 C ATOM 673 O ILE B 214 78.724 4.395 2.202 1.00 0.00 O ATOM 674 CB ILE B 214 75.525 5.275 1.220 1.00 0.00 C ATOM 675 CG1 ILE B 214 74.060 4.564 1.258 1.00 0.00 C ATOM 676 CG2 ILE B 214 76.273 4.853 -0.144 1.00 0.00 C ATOM 677 CD1 ILE B 214 73.165 4.962 2.468 1.00 0.00 C ATOM 0 H ILE B 214 74.967 6.230 3.484 1.00 0.00 H new ATOM 0 HA ILE B 214 76.363 3.845 2.695 1.00 0.00 H new ATOM 0 HB ILE B 214 75.410 6.359 1.225 1.00 0.00 H new ATOM 0 HG12 ILE B 214 73.530 4.809 0.338 1.00 0.00 H new ATOM 0 HG13 ILE B 214 74.198 3.483 1.268 1.00 0.00 H new ATOM 0 HG21 ILE B 214 75.647 5.112 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE B 214 77.223 5.383 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE B 214 76.456 3.778 -0.141 1.00 0.00 H new ATOM 0 HD11 ILE B 214 72.212 4.437 2.404 1.00 0.00 H new ATOM 0 HD12 ILE B 214 73.667 4.691 3.397 1.00 0.00 H new ATOM 0 HD13 ILE B 214 72.989 6.038 2.452 1.00 0.00 H new ATOM 689 N ILE B 215 78.255 6.586 2.517 1.00 0.00 N ATOM 690 CA ILE B 215 79.709 7.059 2.393 1.00 0.00 C ATOM 691 C ILE B 215 80.620 6.337 3.438 1.00 0.00 C ATOM 692 O ILE B 215 81.788 6.123 3.177 1.00 0.00 O ATOM 693 CB ILE B 215 79.812 8.664 2.447 1.00 0.00 C ATOM 694 CG1 ILE B 215 81.348 9.166 2.303 1.00 0.00 C ATOM 695 CG2 ILE B 215 79.142 9.216 3.772 1.00 0.00 C ATOM 696 CD1 ILE B 215 81.478 10.708 2.115 1.00 0.00 C ATOM 0 H ILE B 215 77.588 7.338 2.687 1.00 0.00 H new ATOM 0 HA ILE B 215 80.087 6.774 1.411 1.00 0.00 H new ATOM 0 HB ILE B 215 79.264 9.069 1.596 1.00 0.00 H new ATOM 0 HG12 ILE B 215 81.905 8.867 3.191 1.00 0.00 H new ATOM 0 HG13 ILE B 215 81.809 8.663 1.453 1.00 0.00 H new ATOM 0 HG21 ILE B 215 79.220 10.303 3.794 1.00 0.00 H new ATOM 0 HG22 ILE B 215 78.091 8.927 3.796 1.00 0.00 H new ATOM 0 HG23 ILE B 215 79.653 8.798 4.639 1.00 0.00 H new ATOM 0 HD11 ILE B 215 82.531 10.976 2.025 1.00 0.00 H new ATOM 0 HD12 ILE B 215 80.948 11.010 1.212 1.00 0.00 H new ATOM 0 HD13 ILE B 215 81.046 11.217 2.977 1.00 0.00 H new ATOM 708 N ILE B 216 80.080 5.997 4.645 1.00 0.00 N ATOM 709 CA ILE B 216 80.906 5.294 5.738 1.00 0.00 C ATOM 710 C ILE B 216 81.395 3.879 5.241 1.00 0.00 C ATOM 711 O ILE B 216 82.549 3.512 5.425 1.00 0.00 O ATOM 712 CB ILE B 216 80.033 5.113 7.086 1.00 0.00 C ATOM 713 CG1 ILE B 216 79.232 6.458 7.472 1.00 0.00 C ATOM 714 CG2 ILE B 216 80.936 4.625 8.320 1.00 0.00 C ATOM 715 CD1 ILE B 216 80.126 7.696 7.749 1.00 0.00 C ATOM 0 H ILE B 216 79.111 6.180 4.905 1.00 0.00 H new ATOM 0 HA ILE B 216 81.773 5.919 5.954 1.00 0.00 H new ATOM 0 HB ILE B 216 79.299 4.335 6.875 1.00 0.00 H new ATOM 0 HG12 ILE B 216 78.544 6.699 6.661 1.00 0.00 H new ATOM 0 HG13 ILE B 216 78.626 6.261 8.356 1.00 0.00 H new ATOM 0 HG21 ILE B 216 80.312 4.515 9.207 1.00 0.00 H new ATOM 0 HG22 ILE B 216 81.395 3.666 8.078 1.00 0.00 H new ATOM 0 HG23 ILE B 216 81.716 5.362 8.514 1.00 0.00 H new ATOM 0 HD11 ILE B 216 79.497 8.550 8.000 1.00 0.00 H new ATOM 0 HD12 ILE B 216 80.796 7.482 8.582 1.00 0.00 H new ATOM 0 HD13 ILE B 216 80.714 7.927 6.860 1.00 0.00 H new ATOM 727 N TYR B 217 80.444 3.085 4.676 1.00 0.00 N ATOM 728 CA TYR B 217 80.706 1.651 4.208 1.00 0.00 C ATOM 729 C TYR B 217 81.661 1.504 2.972 1.00 0.00 C ATOM 730 O TYR B 217 82.432 0.546 2.932 1.00 0.00 O ATOM 731 CB TYR B 217 79.316 0.929 3.934 1.00 0.00 C ATOM 732 CG TYR B 217 78.453 0.820 5.269 1.00 0.00 C ATOM 733 CD1 TYR B 217 77.262 1.593 5.476 1.00 0.00 C ATOM 734 CD2 TYR B 217 78.867 -0.067 6.318 1.00 0.00 C ATOM 735 CE1 TYR B 217 76.531 1.474 6.681 1.00 0.00 C ATOM 736 CE2 TYR B 217 78.114 -0.167 7.511 1.00 0.00 C ATOM 737 CZ TYR B 217 76.959 0.600 7.684 1.00 0.00 C ATOM 738 OH TYR B 217 76.236 0.495 8.859 1.00 0.00 O ATOM 0 H TYR B 217 79.483 3.393 4.524 1.00 0.00 H new ATOM 0 HA TYR B 217 81.248 1.168 5.021 1.00 0.00 H new ATOM 0 HB2 TYR B 217 78.757 1.484 3.180 1.00 0.00 H new ATOM 0 HB3 TYR B 217 79.494 -0.068 3.530 1.00 0.00 H new ATOM 0 HD1 TYR B 217 76.921 2.270 4.707 1.00 0.00 H new ATOM 0 HD2 TYR B 217 79.760 -0.662 6.196 1.00 0.00 H new ATOM 0 HE1 TYR B 217 75.637 2.062 6.827 1.00 0.00 H new ATOM 0 HE2 TYR B 217 78.434 -0.840 8.293 1.00 0.00 H new ATOM 0 HH TYR B 217 76.667 -0.156 9.451 1.00 0.00 H new ATOM 748 N VAL B 218 81.569 2.389 1.926 1.00 0.00 N ATOM 749 CA VAL B 218 82.436 2.210 0.653 1.00 0.00 C ATOM 750 C VAL B 218 83.967 2.189 0.982 1.00 0.00 C ATOM 751 O VAL B 218 84.722 1.432 0.387 1.00 0.00 O ATOM 752 CB VAL B 218 82.067 3.305 -0.473 1.00 0.00 C ATOM 753 CG1 VAL B 218 80.503 3.226 -0.827 1.00 0.00 C ATOM 754 CG2 VAL B 218 82.453 4.785 -0.006 1.00 0.00 C ATOM 0 H VAL B 218 80.948 3.198 1.910 1.00 0.00 H new ATOM 0 HA VAL B 218 82.198 1.232 0.235 1.00 0.00 H new ATOM 0 HB VAL B 218 82.651 3.076 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL B 218 80.264 3.969 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL B 218 80.265 2.231 -1.204 1.00 0.00 H new ATOM 0 HG13 VAL B 218 79.916 3.424 0.070 1.00 0.00 H new ATOM 0 HG21 VAL B 218 82.190 5.494 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL B 218 81.908 5.033 0.905 1.00 0.00 H new ATOM 0 HG23 VAL B 218 83.525 4.838 0.186 1.00 0.00 H new ATOM 764 N THR B 219 84.390 3.045 1.944 1.00 0.00 N ATOM 765 CA THR B 219 85.847 3.160 2.397 1.00 0.00 C ATOM 766 C THR B 219 86.360 1.819 2.991 1.00 0.00 C ATOM 767 O THR B 219 87.441 1.349 2.659 1.00 0.00 O ATOM 768 CB THR B 219 85.975 4.304 3.495 1.00 0.00 C ATOM 769 OG1 THR B 219 85.292 3.891 4.675 1.00 0.00 O ATOM 770 CG2 THR B 219 85.327 5.655 3.029 1.00 0.00 C ATOM 0 H THR B 219 83.761 3.678 2.438 1.00 0.00 H new ATOM 0 HA THR B 219 86.455 3.406 1.526 1.00 0.00 H new ATOM 0 HB THR B 219 87.039 4.466 3.669 1.00 0.00 H new ATOM 0 HG1 THR B 219 84.325 3.911 4.517 1.00 0.00 H new ATOM 0 HG21 THR B 219 85.441 6.403 3.814 1.00 0.00 H new ATOM 0 HG22 THR B 219 85.822 6.002 2.122 1.00 0.00 H new ATOM 0 HG23 THR B 219 84.267 5.500 2.827 1.00 0.00 H new ATOM 778 N VAL B 220 85.546 1.235 3.903 1.00 0.00 N ATOM 779 CA VAL B 220 85.877 -0.070 4.611 1.00 0.00 C ATOM 780 C VAL B 220 85.809 -1.243 3.594 1.00 0.00 C ATOM 781 O VAL B 220 86.678 -2.101 3.573 1.00 0.00 O ATOM 782 CB VAL B 220 84.862 -0.269 5.842 1.00 0.00 C ATOM 783 CG1 VAL B 220 85.167 -1.617 6.662 1.00 0.00 C ATOM 784 CG2 VAL B 220 84.933 0.999 6.829 1.00 0.00 C ATOM 0 H VAL B 220 84.648 1.632 4.181 1.00 0.00 H new ATOM 0 HA VAL B 220 86.890 -0.047 5.013 1.00 0.00 H new ATOM 0 HB VAL B 220 83.858 -0.354 5.426 1.00 0.00 H new ATOM 0 HG11 VAL B 220 84.458 -1.711 7.484 1.00 0.00 H new ATOM 0 HG12 VAL B 220 85.070 -2.476 5.999 1.00 0.00 H new ATOM 0 HG13 VAL B 220 86.181 -1.579 7.060 1.00 0.00 H new ATOM 0 HG21 VAL B 220 84.242 0.853 7.659 1.00 0.00 H new ATOM 0 HG22 VAL B 220 85.947 1.103 7.215 1.00 0.00 H new ATOM 0 HG23 VAL B 220 84.659 1.901 6.282 1.00 0.00 H new ATOM 794 N ALA B 221 84.744 -1.254 2.752 1.00 0.00 N ATOM 795 CA ALA B 221 84.526 -2.339 1.703 1.00 0.00 C ATOM 796 C ALA B 221 85.700 -2.372 0.678 1.00 0.00 C ATOM 797 O ALA B 221 86.068 -3.431 0.190 1.00 0.00 O ATOM 798 CB ALA B 221 83.149 -2.085 0.985 1.00 0.00 C ATOM 0 H ALA B 221 84.016 -0.539 2.761 1.00 0.00 H new ATOM 0 HA ALA B 221 84.502 -3.314 2.190 1.00 0.00 H new ATOM 0 HB1 ALA B 221 82.983 -2.856 0.232 1.00 0.00 H new ATOM 0 HB2 ALA B 221 82.344 -2.116 1.720 1.00 0.00 H new ATOM 0 HB3 ALA B 221 83.164 -1.107 0.505 1.00 0.00 H new ATOM 804 N ALA B 222 86.265 -1.169 0.361 1.00 0.00 N ATOM 805 CA ALA B 222 87.409 -1.026 -0.634 1.00 0.00 C ATOM 806 C ALA B 222 88.672 -1.827 -0.188 1.00 0.00 C ATOM 807 O ALA B 222 89.325 -2.458 -1.005 1.00 0.00 O ATOM 808 CB ALA B 222 87.742 0.505 -0.806 1.00 0.00 C ATOM 0 H ALA B 222 85.961 -0.284 0.767 1.00 0.00 H new ATOM 0 HA ALA B 222 87.099 -1.446 -1.591 1.00 0.00 H new ATOM 0 HB1 ALA B 222 88.560 0.622 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA B 222 86.861 1.029 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA B 222 88.035 0.924 0.157 1.00 0.00 H new ATOM 814 N VAL B 223 89.002 -1.769 1.129 1.00 0.00 N ATOM 815 CA VAL B 223 90.213 -2.496 1.717 1.00 0.00 C ATOM 816 C VAL B 223 89.950 -4.028 1.717 1.00 0.00 C ATOM 817 O VAL B 223 90.811 -4.818 1.354 1.00 0.00 O ATOM 818 CB VAL B 223 90.509 -1.925 3.188 1.00 0.00 C ATOM 819 CG1 VAL B 223 91.797 -2.618 3.853 1.00 0.00 C ATOM 820 CG2 VAL B 223 90.713 -0.331 3.127 1.00 0.00 C ATOM 0 H VAL B 223 88.467 -1.238 1.817 1.00 0.00 H new ATOM 0 HA VAL B 223 91.100 -2.319 1.109 1.00 0.00 H new ATOM 0 HB VAL B 223 89.648 -2.161 3.813 1.00 0.00 H new ATOM 0 HG11 VAL B 223 91.961 -2.202 4.847 1.00 0.00 H new ATOM 0 HG12 VAL B 223 91.632 -3.693 3.932 1.00 0.00 H new ATOM 0 HG13 VAL B 223 92.673 -2.430 3.232 1.00 0.00 H new ATOM 0 HG21 VAL B 223 90.913 0.049 4.129 1.00 0.00 H new ATOM 0 HG22 VAL B 223 91.554 -0.097 2.475 1.00 0.00 H new ATOM 0 HG23 VAL B 223 89.810 0.137 2.736 1.00 0.00 H new ATOM 830 N VAL B 224 88.725 -4.412 2.143 1.00 0.00 N ATOM 831 CA VAL B 224 88.270 -5.862 2.224 1.00 0.00 C ATOM 832 C VAL B 224 88.218 -6.486 0.797 1.00 0.00 C ATOM 833 O VAL B 224 88.504 -7.661 0.631 1.00 0.00 O ATOM 834 CB VAL B 224 86.852 -5.890 2.973 1.00 0.00 C ATOM 835 CG1 VAL B 224 86.175 -7.344 2.981 1.00 0.00 C ATOM 836 CG2 VAL B 224 87.015 -5.357 4.486 1.00 0.00 C ATOM 0 H VAL B 224 88.012 -3.748 2.443 1.00 0.00 H new ATOM 0 HA VAL B 224 88.973 -6.470 2.794 1.00 0.00 H new ATOM 0 HB VAL B 224 86.189 -5.232 2.412 1.00 0.00 H new ATOM 0 HG11 VAL B 224 85.219 -7.297 3.502 1.00 0.00 H new ATOM 0 HG12 VAL B 224 86.014 -7.676 1.955 1.00 0.00 H new ATOM 0 HG13 VAL B 224 86.832 -8.048 3.491 1.00 0.00 H new ATOM 0 HG21 VAL B 224 86.047 -5.380 4.986 1.00 0.00 H new ATOM 0 HG22 VAL B 224 87.716 -5.996 5.023 1.00 0.00 H new ATOM 0 HG23 VAL B 224 87.393 -4.335 4.473 1.00 0.00 H new ATOM 846 N LEU B 225 87.839 -5.668 -0.224 1.00 0.00 N ATOM 847 CA LEU B 225 87.722 -6.141 -1.676 1.00 0.00 C ATOM 848 C LEU B 225 89.084 -6.689 -2.206 1.00 0.00 C ATOM 849 O LEU B 225 89.112 -7.670 -2.943 1.00 0.00 O ATOM 850 CB LEU B 225 87.172 -4.940 -2.551 1.00 0.00 C ATOM 851 CG LEU B 225 86.988 -5.259 -4.129 1.00 0.00 C ATOM 852 CD1 LEU B 225 86.029 -6.495 -4.392 1.00 0.00 C ATOM 853 CD2 LEU B 225 86.456 -3.963 -4.899 1.00 0.00 C ATOM 0 H LEU B 225 87.607 -4.683 -0.094 1.00 0.00 H new ATOM 0 HA LEU B 225 87.022 -6.974 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU B 225 86.209 -4.628 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU B 225 87.851 -4.094 -2.445 1.00 0.00 H new ATOM 0 HG LEU B 225 87.969 -5.531 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU B 225 85.941 -6.665 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU B 225 86.443 -7.384 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU B 225 85.044 -6.286 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU B 225 86.337 -4.192 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU B 225 85.495 -3.662 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU B 225 87.173 -3.150 -4.782 1.00 0.00 H new ATOM 865 N ILE B 226 90.213 -6.036 -1.809 1.00 0.00 N ATOM 866 CA ILE B 226 91.618 -6.468 -2.237 1.00 0.00 C ATOM 867 C ILE B 226 91.954 -7.833 -1.547 1.00 0.00 C ATOM 868 O ILE B 226 92.407 -8.759 -2.175 1.00 0.00 O ATOM 869 CB ILE B 226 92.673 -5.311 -1.853 1.00 0.00 C ATOM 870 CG1 ILE B 226 92.241 -3.919 -2.566 1.00 0.00 C ATOM 871 CG2 ILE B 226 94.174 -5.719 -2.270 1.00 0.00 C ATOM 872 CD1 ILE B 226 93.097 -2.697 -2.116 1.00 0.00 C ATOM 0 H ILE B 226 90.202 -5.217 -1.201 1.00 0.00 H new ATOM 0 HA ILE B 226 91.673 -6.612 -3.316 1.00 0.00 H new ATOM 0 HB ILE B 226 92.660 -5.180 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE B 226 92.325 -4.033 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE B 226 91.192 -3.718 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE B 226 94.859 -4.916 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE B 226 94.460 -6.633 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE B 226 94.220 -5.884 -3.346 1.00 0.00 H new ATOM 0 HD11 ILE B 226 92.752 -1.801 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE B 226 92.994 -2.557 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE B 226 94.144 -2.877 -2.360 1.00 0.00 H new ATOM 884 N VAL B 227 91.716 -7.884 -0.226 1.00 0.00 N ATOM 885 CA VAL B 227 91.968 -9.092 0.673 1.00 0.00 C ATOM 886 C VAL B 227 91.040 -10.290 0.320 1.00 0.00 C ATOM 887 O VAL B 227 91.419 -11.439 0.523 1.00 0.00 O ATOM 888 CB VAL B 227 91.832 -8.639 2.207 1.00 0.00 C ATOM 889 CG1 VAL B 227 92.081 -9.855 3.231 1.00 0.00 C ATOM 890 CG2 VAL B 227 92.864 -7.448 2.520 1.00 0.00 C ATOM 0 H VAL B 227 91.336 -7.088 0.285 1.00 0.00 H new ATOM 0 HA VAL B 227 92.982 -9.456 0.505 1.00 0.00 H new ATOM 0 HB VAL B 227 90.808 -8.295 2.351 1.00 0.00 H new ATOM 0 HG11 VAL B 227 91.977 -9.496 4.255 1.00 0.00 H new ATOM 0 HG12 VAL B 227 91.349 -10.641 3.047 1.00 0.00 H new ATOM 0 HG13 VAL B 227 93.085 -10.253 3.086 1.00 0.00 H new ATOM 0 HG21 VAL B 227 92.766 -7.146 3.563 1.00 0.00 H new ATOM 0 HG22 VAL B 227 93.882 -7.791 2.336 1.00 0.00 H new ATOM 0 HG23 VAL B 227 92.645 -6.598 1.874 1.00 0.00 H new ATOM 900 N ALA B 228 89.778 -9.998 -0.082 1.00 0.00 N ATOM 901 CA ALA B 228 88.720 -11.071 -0.324 1.00 0.00 C ATOM 902 C ALA B 228 89.145 -12.137 -1.386 1.00 0.00 C ATOM 903 O ALA B 228 88.762 -13.291 -1.260 1.00 0.00 O ATOM 904 CB ALA B 228 87.378 -10.365 -0.765 1.00 0.00 C ATOM 0 H ALA B 228 89.448 -9.047 -0.250 1.00 0.00 H new ATOM 0 HA ALA B 228 88.586 -11.618 0.609 1.00 0.00 H new ATOM 0 HB1 ALA B 228 86.611 -11.119 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA B 228 87.047 -9.689 0.023 1.00 0.00 H new ATOM 0 HB3 ALA B 228 87.548 -9.799 -1.681 1.00 0.00 H new ATOM 910 N VAL B 229 89.919 -11.744 -2.429 1.00 0.00 N ATOM 911 CA VAL B 229 90.382 -12.729 -3.513 1.00 0.00 C ATOM 912 C VAL B 229 91.487 -13.682 -2.967 1.00 0.00 C ATOM 913 O VAL B 229 91.480 -14.872 -3.248 1.00 0.00 O ATOM 914 CB VAL B 229 90.834 -11.966 -4.863 1.00 0.00 C ATOM 915 CG1 VAL B 229 89.726 -10.881 -5.271 1.00 0.00 C ATOM 916 CG2 VAL B 229 92.275 -11.270 -4.735 1.00 0.00 C ATOM 0 H VAL B 229 90.243 -10.787 -2.566 1.00 0.00 H new ATOM 0 HA VAL B 229 89.530 -13.351 -3.786 1.00 0.00 H new ATOM 0 HB VAL B 229 90.921 -12.720 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL B 229 90.036 -10.369 -6.182 1.00 0.00 H new ATOM 0 HG12 VAL B 229 88.773 -11.381 -5.442 1.00 0.00 H new ATOM 0 HG13 VAL B 229 89.615 -10.154 -4.466 1.00 0.00 H new ATOM 0 HG21 VAL B 229 92.524 -10.774 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL B 229 92.254 -10.535 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL B 229 93.027 -12.028 -4.515 1.00 0.00 H new ATOM 926 N PHE B 230 92.479 -13.103 -2.216 1.00 0.00 N ATOM 927 CA PHE B 230 93.666 -13.894 -1.665 1.00 0.00 C ATOM 928 C PHE B 230 93.230 -14.986 -0.639 1.00 0.00 C ATOM 929 O PHE B 230 93.766 -16.092 -0.670 1.00 0.00 O ATOM 930 CB PHE B 230 94.729 -12.902 -1.018 1.00 0.00 C ATOM 931 CG PHE B 230 95.429 -11.988 -2.123 1.00 0.00 C ATOM 932 CD1 PHE B 230 96.329 -12.577 -3.072 1.00 0.00 C ATOM 933 CD2 PHE B 230 95.191 -10.577 -2.207 1.00 0.00 C ATOM 934 CE1 PHE B 230 96.956 -11.782 -4.060 1.00 0.00 C ATOM 935 CE2 PHE B 230 95.828 -9.795 -3.200 1.00 0.00 C ATOM 936 CZ PHE B 230 96.707 -10.397 -4.124 1.00 0.00 C ATOM 0 H PHE B 230 92.495 -12.112 -1.974 1.00 0.00 H new ATOM 0 HA PHE B 230 94.127 -14.418 -2.502 1.00 0.00 H new ATOM 0 HB2 PHE B 230 94.235 -12.269 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE B 230 95.488 -13.477 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE B 230 96.530 -13.637 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE B 230 94.519 -10.106 -1.505 1.00 0.00 H new ATOM 0 HE1 PHE B 230 97.630 -12.240 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE B 230 95.640 -8.733 -3.250 1.00 0.00 H new ATOM 0 HZ PHE B 230 97.189 -9.796 -4.881 1.00 0.00 H new ATOM 946 N VAL B 231 92.274 -14.671 0.284 1.00 0.00 N ATOM 947 CA VAL B 231 91.813 -15.691 1.339 1.00 0.00 C ATOM 948 C VAL B 231 91.078 -16.896 0.663 1.00 0.00 C ATOM 949 O VAL B 231 91.176 -18.020 1.135 1.00 0.00 O ATOM 950 CB VAL B 231 90.912 -14.968 2.455 1.00 0.00 C ATOM 951 CG1 VAL B 231 91.766 -13.832 3.207 1.00 0.00 C ATOM 952 CG2 VAL B 231 89.608 -14.328 1.796 1.00 0.00 C ATOM 0 H VAL B 231 91.810 -13.764 0.340 1.00 0.00 H new ATOM 0 HA VAL B 231 92.687 -16.101 1.845 1.00 0.00 H new ATOM 0 HB VAL B 231 90.600 -15.716 3.183 1.00 0.00 H new ATOM 0 HG11 VAL B 231 91.145 -13.349 3.961 1.00 0.00 H new ATOM 0 HG12 VAL B 231 92.632 -14.286 3.688 1.00 0.00 H new ATOM 0 HG13 VAL B 231 92.101 -13.089 2.483 1.00 0.00 H new ATOM 0 HG21 VAL B 231 89.011 -13.843 2.568 1.00 0.00 H new ATOM 0 HG22 VAL B 231 89.902 -13.591 1.049 1.00 0.00 H new ATOM 0 HG23 VAL B 231 89.019 -15.112 1.320 1.00 0.00 H new ATOM 962 N CYS B 232 90.342 -16.625 -0.459 1.00 0.00 N ATOM 963 CA CYS B 232 89.576 -17.699 -1.233 1.00 0.00 C ATOM 964 C CYS B 232 90.565 -18.699 -1.910 1.00 0.00 C ATOM 965 O CYS B 232 90.357 -19.905 -1.891 1.00 0.00 O ATOM 966 CB CYS B 232 88.657 -17.000 -2.303 1.00 0.00 C ATOM 967 SG CYS B 232 87.404 -15.967 -1.485 1.00 0.00 S ATOM 0 H CYS B 232 90.253 -15.690 -0.857 1.00 0.00 H new ATOM 0 HA CYS B 232 88.953 -18.271 -0.546 1.00 0.00 H new ATOM 0 HB2 CYS B 232 89.265 -16.387 -2.969 1.00 0.00 H new ATOM 0 HB3 CYS B 232 88.169 -17.754 -2.921 1.00 0.00 H new ATOM 0 HG CYS B 232 87.871 -14.765 -1.323 1.00 0.00 H new ATOM 973 N LYS B 233 91.637 -18.144 -2.520 1.00 0.00 N ATOM 974 CA LYS B 233 92.712 -18.950 -3.240 1.00 0.00 C ATOM 975 C LYS B 233 93.599 -19.697 -2.214 1.00 0.00 C ATOM 976 O LYS B 233 94.109 -20.759 -2.511 1.00 0.00 O ATOM 977 CB LYS B 233 93.569 -17.961 -4.158 1.00 0.00 C ATOM 978 CG LYS B 233 92.708 -17.369 -5.373 1.00 0.00 C ATOM 979 CD LYS B 233 93.568 -16.435 -6.355 1.00 0.00 C ATOM 980 CE LYS B 233 94.085 -15.105 -5.671 1.00 0.00 C ATOM 981 NZ LYS B 233 94.654 -14.201 -6.717 1.00 0.00 N ATOM 0 H LYS B 233 91.803 -17.138 -2.541 1.00 0.00 H new ATOM 0 HA LYS B 233 92.253 -19.706 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS B 233 93.949 -17.140 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS B 233 94.435 -18.492 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS B 233 92.283 -18.193 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS B 233 91.873 -16.794 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS B 233 94.424 -17.000 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS B 233 92.960 -16.176 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS B 233 93.266 -14.608 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS B 233 94.843 -15.338 -4.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 94.995 -13.326 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 95.446 -14.677 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 93.918 -13.970 -7.414 1.00 0.00 H new ATOM 995 N SER B 234 93.775 -19.103 -1.013 1.00 0.00 N ATOM 996 CA SER B 234 94.637 -19.700 0.090 1.00 0.00 C ATOM 997 C SER B 234 94.096 -21.056 0.623 1.00 0.00 C ATOM 998 O SER B 234 94.868 -21.974 0.876 1.00 0.00 O ATOM 999 CB SER B 234 94.743 -18.670 1.256 1.00 0.00 C ATOM 1000 OG SER B 234 95.617 -19.178 2.260 1.00 0.00 O ATOM 0 H SER B 234 93.343 -18.214 -0.761 1.00 0.00 H new ATOM 0 HA SER B 234 95.619 -19.909 -0.334 1.00 0.00 H new ATOM 0 HB2 SER B 234 95.117 -17.717 0.881 1.00 0.00 H new ATOM 0 HB3 SER B 234 93.757 -18.481 1.679 1.00 0.00 H new ATOM 0 HG SER B 234 95.685 -18.530 2.992 1.00 0.00 H new ATOM 1006 N LEU B 235 92.760 -21.135 0.829 1.00 0.00 N ATOM 1007 CA LEU B 235 92.060 -22.373 1.396 1.00 0.00 C ATOM 1008 C LEU B 235 91.686 -23.395 0.301 1.00 0.00 C ATOM 1009 O LEU B 235 91.312 -24.513 0.626 1.00 0.00 O ATOM 1010 CB LEU B 235 90.773 -21.902 2.240 1.00 0.00 C ATOM 1011 CG LEU B 235 89.679 -21.020 1.399 1.00 0.00 C ATOM 1012 CD1 LEU B 235 88.630 -21.920 0.600 1.00 0.00 C ATOM 1013 CD2 LEU B 235 88.892 -20.009 2.361 1.00 0.00 C ATOM 0 H LEU B 235 92.121 -20.368 0.619 1.00 0.00 H new ATOM 0 HA LEU B 235 92.754 -22.894 2.055 1.00 0.00 H new ATOM 0 HB2 LEU B 235 90.275 -22.786 2.639 1.00 0.00 H new ATOM 0 HB3 LEU B 235 91.112 -21.315 3.093 1.00 0.00 H new ATOM 0 HG LEU B 235 90.254 -20.456 0.665 1.00 0.00 H new ATOM 0 HD11 LEU B 235 87.933 -21.276 0.064 1.00 0.00 H new ATOM 0 HD12 LEU B 235 89.161 -22.552 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU B 235 88.079 -22.546 1.302 1.00 0.00 H new ATOM 0 HD21 LEU B 235 88.172 -19.436 1.776 1.00 0.00 H new ATOM 0 HD22 LEU B 235 88.366 -20.574 3.131 1.00 0.00 H new ATOM 0 HD23 LEU B 235 89.601 -19.328 2.831 1.00 0.00 H new ATOM 1025 N LEU B 236 91.721 -22.973 -0.997 1.00 0.00 N ATOM 1026 CA LEU B 236 91.293 -23.852 -2.189 1.00 0.00 C ATOM 1027 C LEU B 236 92.453 -24.704 -2.810 1.00 0.00 C ATOM 1028 O LEU B 236 92.157 -25.733 -3.405 1.00 0.00 O ATOM 1029 CB LEU B 236 90.654 -22.881 -3.274 1.00 0.00 C ATOM 1030 CG LEU B 236 90.097 -23.599 -4.620 1.00 0.00 C ATOM 1031 CD1 LEU B 236 88.993 -24.694 -4.311 1.00 0.00 C ATOM 1032 CD2 LEU B 236 89.534 -22.504 -5.640 1.00 0.00 C ATOM 0 H LEU B 236 92.035 -22.042 -1.270 1.00 0.00 H new ATOM 0 HA LEU B 236 90.577 -24.593 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU B 236 89.833 -22.336 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU B 236 91.404 -22.144 -3.561 1.00 0.00 H new ATOM 0 HG LEU B 236 90.938 -24.119 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU B 236 88.655 -25.143 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU B 236 89.416 -25.467 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU B 236 88.148 -24.226 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU B 236 89.164 -22.999 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU B 236 88.721 -21.952 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU B 236 90.333 -21.813 -5.910 1.00 0.00 H new ATOM 1214 N LEU C 211 87.689 9.382 18.169 1.00 0.00 N ATOM 1215 CA LEU C 211 88.048 8.294 17.149 1.00 0.00 C ATOM 1216 C LEU C 211 87.759 8.781 15.701 1.00 0.00 C ATOM 1217 O LEU C 211 88.093 8.105 14.752 1.00 0.00 O ATOM 1218 CB LEU C 211 87.223 6.970 17.506 1.00 0.00 C ATOM 1219 CG LEU C 211 87.781 5.609 16.784 1.00 0.00 C ATOM 1220 CD1 LEU C 211 88.971 4.943 17.601 1.00 0.00 C ATOM 1221 CD2 LEU C 211 86.611 4.556 16.533 1.00 0.00 C ATOM 0 HA LEU C 211 89.114 8.072 17.198 1.00 0.00 H new ATOM 0 HB2 LEU C 211 87.240 6.826 18.586 1.00 0.00 H new ATOM 0 HB3 LEU C 211 86.182 7.117 17.220 1.00 0.00 H new ATOM 0 HG LEU C 211 88.177 5.912 15.815 1.00 0.00 H new ATOM 0 HD11 LEU C 211 89.308 4.044 17.085 1.00 0.00 H new ATOM 0 HD12 LEU C 211 89.798 5.649 17.679 1.00 0.00 H new ATOM 0 HD13 LEU C 211 88.623 4.679 18.600 1.00 0.00 H new ATOM 0 HD21 LEU C 211 87.019 3.667 16.053 1.00 0.00 H new ATOM 0 HD22 LEU C 211 86.160 4.279 17.486 1.00 0.00 H new ATOM 0 HD23 LEU C 211 85.853 5.001 15.888 1.00 0.00 H new ATOM 1233 N SER C 212 87.153 9.985 15.543 1.00 0.00 N ATOM 1234 CA SER C 212 86.826 10.578 14.173 1.00 0.00 C ATOM 1235 C SER C 212 88.094 10.678 13.278 1.00 0.00 C ATOM 1236 O SER C 212 87.990 10.766 12.068 1.00 0.00 O ATOM 1237 CB SER C 212 86.165 11.982 14.375 1.00 0.00 C ATOM 1238 OG SER C 212 84.945 11.816 15.089 1.00 0.00 O ATOM 0 H SER C 212 86.874 10.578 16.325 1.00 0.00 H new ATOM 0 HA SER C 212 86.129 9.919 13.656 1.00 0.00 H new ATOM 0 HB2 SER C 212 86.838 12.640 14.925 1.00 0.00 H new ATOM 0 HB3 SER C 212 85.977 12.453 13.410 1.00 0.00 H new ATOM 0 HG SER C 212 84.523 12.690 15.223 1.00 0.00 H new ATOM 1244 N GLY C 213 89.270 10.668 13.937 1.00 0.00 N ATOM 1245 CA GLY C 213 90.618 10.767 13.264 1.00 0.00 C ATOM 1246 C GLY C 213 90.953 9.534 12.398 1.00 0.00 C ATOM 1247 O GLY C 213 91.540 9.673 11.330 1.00 0.00 O ATOM 0 H GLY C 213 89.332 10.592 14.952 1.00 0.00 H new ATOM 0 HA2 GLY C 213 90.641 11.660 12.639 1.00 0.00 H new ATOM 0 HA3 GLY C 213 91.389 10.890 14.024 1.00 0.00 H new ATOM 1251 N ILE C 214 90.602 8.300 12.888 1.00 0.00 N ATOM 1252 CA ILE C 214 90.913 6.989 12.133 1.00 0.00 C ATOM 1253 C ILE C 214 90.169 6.978 10.760 1.00 0.00 C ATOM 1254 O ILE C 214 90.696 6.522 9.754 1.00 0.00 O ATOM 1255 CB ILE C 214 90.577 5.698 13.066 1.00 0.00 C ATOM 1256 CG1 ILE C 214 91.548 4.435 12.743 1.00 0.00 C ATOM 1257 CG2 ILE C 214 89.040 5.238 12.999 1.00 0.00 C ATOM 1258 CD1 ILE C 214 91.508 3.968 11.257 1.00 0.00 C ATOM 0 H ILE C 214 90.117 8.163 13.775 1.00 0.00 H new ATOM 0 HA ILE C 214 91.979 6.930 11.913 1.00 0.00 H new ATOM 0 HB ILE C 214 90.769 6.036 14.084 1.00 0.00 H new ATOM 0 HG12 ILE C 214 92.573 4.702 13.002 1.00 0.00 H new ATOM 0 HG13 ILE C 214 91.265 3.599 13.383 1.00 0.00 H new ATOM 0 HG21 ILE C 214 88.891 4.373 13.645 1.00 0.00 H new ATOM 0 HG22 ILE C 214 88.401 6.055 13.333 1.00 0.00 H new ATOM 0 HG23 ILE C 214 88.784 4.973 11.973 1.00 0.00 H new ATOM 0 HD11 ILE C 214 92.182 3.122 11.123 1.00 0.00 H new ATOM 0 HD12 ILE C 214 90.493 3.667 10.997 1.00 0.00 H new ATOM 0 HD13 ILE C 214 91.821 4.787 10.610 1.00 0.00 H new ATOM 1270 N ILE C 215 88.913 7.514 10.756 1.00 0.00 N ATOM 1271 CA ILE C 215 88.034 7.595 9.502 1.00 0.00 C ATOM 1272 C ILE C 215 88.772 8.375 8.365 1.00 0.00 C ATOM 1273 O ILE C 215 88.590 8.084 7.197 1.00 0.00 O ATOM 1274 CB ILE C 215 86.599 8.253 9.848 1.00 0.00 C ATOM 1275 CG1 ILE C 215 85.921 7.471 11.095 1.00 0.00 C ATOM 1276 CG2 ILE C 215 85.623 8.229 8.563 1.00 0.00 C ATOM 1277 CD1 ILE C 215 84.551 8.070 11.545 1.00 0.00 C ATOM 0 H ILE C 215 88.470 7.899 11.590 1.00 0.00 H new ATOM 0 HA ILE C 215 87.848 6.584 9.141 1.00 0.00 H new ATOM 0 HB ILE C 215 86.755 9.295 10.126 1.00 0.00 H new ATOM 0 HG12 ILE C 215 85.778 6.426 10.822 1.00 0.00 H new ATOM 0 HG13 ILE C 215 86.609 7.488 11.940 1.00 0.00 H new ATOM 0 HG21 ILE C 215 84.665 8.678 8.825 1.00 0.00 H new ATOM 0 HG22 ILE C 215 86.078 8.794 7.750 1.00 0.00 H new ATOM 0 HG23 ILE C 215 85.466 7.198 8.245 1.00 0.00 H new ATOM 0 HD11 ILE C 215 84.160 7.494 12.383 1.00 0.00 H new ATOM 0 HD12 ILE C 215 84.690 9.107 11.851 1.00 0.00 H new ATOM 0 HD13 ILE C 215 83.845 8.028 10.715 1.00 0.00 H new ATOM 1289 N ILE C 216 89.579 9.395 8.744 1.00 0.00 N ATOM 1290 CA ILE C 216 90.364 10.244 7.745 1.00 0.00 C ATOM 1291 C ILE C 216 91.506 9.382 7.105 1.00 0.00 C ATOM 1292 O ILE C 216 91.783 9.463 5.919 1.00 0.00 O ATOM 1293 CB ILE C 216 90.970 11.541 8.484 1.00 0.00 C ATOM 1294 CG1 ILE C 216 89.848 12.284 9.384 1.00 0.00 C ATOM 1295 CG2 ILE C 216 91.618 12.570 7.438 1.00 0.00 C ATOM 1296 CD1 ILE C 216 88.572 12.717 8.606 1.00 0.00 C ATOM 0 H ILE C 216 89.719 9.667 9.717 1.00 0.00 H new ATOM 0 HA ILE C 216 89.698 10.583 6.951 1.00 0.00 H new ATOM 0 HB ILE C 216 91.762 11.189 9.145 1.00 0.00 H new ATOM 0 HG12 ILE C 216 89.554 11.619 10.196 1.00 0.00 H new ATOM 0 HG13 ILE C 216 90.295 13.167 9.842 1.00 0.00 H new ATOM 0 HG21 ILE C 216 92.016 13.432 7.974 1.00 0.00 H new ATOM 0 HG22 ILE C 216 92.424 12.077 6.894 1.00 0.00 H new ATOM 0 HG23 ILE C 216 90.855 12.902 6.734 1.00 0.00 H new ATOM 0 HD11 ILE C 216 87.878 13.206 9.289 1.00 0.00 H new ATOM 0 HD12 ILE C 216 88.848 13.411 7.812 1.00 0.00 H new ATOM 0 HD13 ILE C 216 88.095 11.838 8.171 1.00 0.00 H new ATOM 1308 N TYR C 217 92.194 8.627 7.986 1.00 0.00 N ATOM 1309 CA TYR C 217 93.405 7.767 7.640 1.00 0.00 C ATOM 1310 C TYR C 217 93.109 6.539 6.716 1.00 0.00 C ATOM 1311 O TYR C 217 93.940 6.207 5.875 1.00 0.00 O ATOM 1312 CB TYR C 217 94.066 7.299 9.004 1.00 0.00 C ATOM 1313 CG TYR C 217 95.442 6.530 8.776 1.00 0.00 C ATOM 1314 CD1 TYR C 217 95.493 5.096 8.708 1.00 0.00 C ATOM 1315 CD2 TYR C 217 96.665 7.257 8.613 1.00 0.00 C ATOM 1316 CE1 TYR C 217 96.725 4.437 8.493 1.00 0.00 C ATOM 1317 CE2 TYR C 217 97.883 6.570 8.399 1.00 0.00 C ATOM 1318 CZ TYR C 217 97.905 5.172 8.340 1.00 0.00 C ATOM 1319 OH TYR C 217 99.103 4.512 8.131 1.00 0.00 O ATOM 0 H TYR C 217 91.943 8.579 8.974 1.00 0.00 H new ATOM 0 HA TYR C 217 94.081 8.383 7.047 1.00 0.00 H new ATOM 0 HB2 TYR C 217 94.239 8.168 9.638 1.00 0.00 H new ATOM 0 HB3 TYR C 217 93.373 6.648 9.537 1.00 0.00 H new ATOM 0 HD1 TYR C 217 94.587 4.519 8.822 1.00 0.00 H new ATOM 0 HD2 TYR C 217 96.657 8.336 8.654 1.00 0.00 H new ATOM 0 HE1 TYR C 217 96.755 3.358 8.447 1.00 0.00 H new ATOM 0 HE2 TYR C 217 98.801 7.127 8.281 1.00 0.00 H new ATOM 0 HH TYR C 217 99.827 5.167 8.044 1.00 0.00 H new ATOM 1329 N VAL C 218 91.978 5.812 6.929 1.00 0.00 N ATOM 1330 CA VAL C 218 91.670 4.538 6.119 1.00 0.00 C ATOM 1331 C VAL C 218 91.529 4.828 4.589 1.00 0.00 C ATOM 1332 O VAL C 218 91.909 4.002 3.767 1.00 0.00 O ATOM 1333 CB VAL C 218 90.381 3.805 6.735 1.00 0.00 C ATOM 1334 CG1 VAL C 218 89.090 4.731 6.637 1.00 0.00 C ATOM 1335 CG2 VAL C 218 90.114 2.380 6.043 1.00 0.00 C ATOM 0 H VAL C 218 91.270 6.051 7.623 1.00 0.00 H new ATOM 0 HA VAL C 218 92.518 3.858 6.204 1.00 0.00 H new ATOM 0 HB VAL C 218 90.591 3.623 7.789 1.00 0.00 H new ATOM 0 HG11 VAL C 218 88.234 4.207 7.062 1.00 0.00 H new ATOM 0 HG12 VAL C 218 89.262 5.654 7.190 1.00 0.00 H new ATOM 0 HG13 VAL C 218 88.889 4.966 5.592 1.00 0.00 H new ATOM 0 HG21 VAL C 218 89.233 1.918 6.489 1.00 0.00 H new ATOM 0 HG22 VAL C 218 89.949 2.520 4.975 1.00 0.00 H new ATOM 0 HG23 VAL C 218 90.979 1.734 6.195 1.00 0.00 H new ATOM 1345 N THR C 219 90.937 5.997 4.233 1.00 0.00 N ATOM 1346 CA THR C 219 90.694 6.397 2.777 1.00 0.00 C ATOM 1347 C THR C 219 92.016 6.582 1.983 1.00 0.00 C ATOM 1348 O THR C 219 92.163 6.050 0.887 1.00 0.00 O ATOM 1349 CB THR C 219 89.870 7.759 2.731 1.00 0.00 C ATOM 1350 OG1 THR C 219 90.692 8.813 3.226 1.00 0.00 O ATOM 1351 CG2 THR C 219 88.580 7.706 3.622 1.00 0.00 C ATOM 0 H THR C 219 90.613 6.689 4.909 1.00 0.00 H new ATOM 0 HA THR C 219 90.134 5.587 2.309 1.00 0.00 H new ATOM 0 HB THR C 219 89.572 7.923 1.695 1.00 0.00 H new ATOM 0 HG1 THR C 219 90.842 8.688 4.186 1.00 0.00 H new ATOM 0 HG21 THR C 219 88.053 8.658 3.557 1.00 0.00 H new ATOM 0 HG22 THR C 219 87.928 6.906 3.271 1.00 0.00 H new ATOM 0 HG23 THR C 219 88.861 7.517 4.658 1.00 0.00 H new ATOM 1359 N VAL C 220 92.977 7.358 2.557 1.00 0.00 N ATOM 1360 CA VAL C 220 94.322 7.625 1.881 1.00 0.00 C ATOM 1361 C VAL C 220 95.188 6.344 1.917 1.00 0.00 C ATOM 1362 O VAL C 220 95.879 6.035 0.960 1.00 0.00 O ATOM 1363 CB VAL C 220 95.034 8.895 2.553 1.00 0.00 C ATOM 1364 CG1 VAL C 220 95.264 8.672 4.112 1.00 0.00 C ATOM 1365 CG2 VAL C 220 96.413 9.265 1.815 1.00 0.00 C ATOM 0 H VAL C 220 92.870 7.810 3.465 1.00 0.00 H new ATOM 0 HA VAL C 220 94.175 7.875 0.830 1.00 0.00 H new ATOM 0 HB VAL C 220 94.360 9.743 2.431 1.00 0.00 H new ATOM 0 HG11 VAL C 220 95.748 9.551 4.538 1.00 0.00 H new ATOM 0 HG12 VAL C 220 94.304 8.514 4.602 1.00 0.00 H new ATOM 0 HG13 VAL C 220 95.898 7.799 4.265 1.00 0.00 H new ATOM 0 HG21 VAL C 220 96.864 10.131 2.300 1.00 0.00 H new ATOM 0 HG22 VAL C 220 97.096 8.418 1.875 1.00 0.00 H new ATOM 0 HG23 VAL C 220 96.215 9.498 0.769 1.00 0.00 H new ATOM 1375 N ALA C 221 95.132 5.595 3.053 1.00 0.00 N ATOM 1376 CA ALA C 221 95.934 4.312 3.234 1.00 0.00 C ATOM 1377 C ALA C 221 95.556 3.260 2.148 1.00 0.00 C ATOM 1378 O ALA C 221 96.397 2.491 1.711 1.00 0.00 O ATOM 1379 CB ALA C 221 95.683 3.747 4.680 1.00 0.00 C ATOM 0 H ALA C 221 94.554 5.838 3.857 1.00 0.00 H new ATOM 0 HA ALA C 221 96.995 4.532 3.115 1.00 0.00 H new ATOM 0 HB1 ALA C 221 96.254 2.829 4.816 1.00 0.00 H new ATOM 0 HB2 ALA C 221 95.999 4.484 5.418 1.00 0.00 H new ATOM 0 HB3 ALA C 221 94.621 3.536 4.809 1.00 0.00 H new ATOM 1385 N ALA C 222 94.253 3.244 1.748 1.00 0.00 N ATOM 1386 CA ALA C 222 93.713 2.266 0.713 1.00 0.00 C ATOM 1387 C ALA C 222 94.410 2.437 -0.675 1.00 0.00 C ATOM 1388 O ALA C 222 94.814 1.463 -1.301 1.00 0.00 O ATOM 1389 CB ALA C 222 92.157 2.484 0.592 1.00 0.00 C ATOM 0 H ALA C 222 93.549 3.885 2.113 1.00 0.00 H new ATOM 0 HA ALA C 222 93.927 1.248 1.039 1.00 0.00 H new ATOM 0 HB1 ALA C 222 91.749 1.793 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA C 222 91.688 2.302 1.559 1.00 0.00 H new ATOM 0 HB3 ALA C 222 91.956 3.509 0.279 1.00 0.00 H new ATOM 1395 N VAL C 223 94.515 3.708 -1.139 1.00 0.00 N ATOM 1396 CA VAL C 223 95.149 4.060 -2.483 1.00 0.00 C ATOM 1397 C VAL C 223 96.679 3.810 -2.425 1.00 0.00 C ATOM 1398 O VAL C 223 97.264 3.313 -3.370 1.00 0.00 O ATOM 1399 CB VAL C 223 94.799 5.587 -2.844 1.00 0.00 C ATOM 1400 CG1 VAL C 223 95.415 6.030 -4.261 1.00 0.00 C ATOM 1401 CG2 VAL C 223 93.206 5.800 -2.850 1.00 0.00 C ATOM 0 H VAL C 223 94.177 4.519 -0.622 1.00 0.00 H new ATOM 0 HA VAL C 223 94.747 3.424 -3.272 1.00 0.00 H new ATOM 0 HB VAL C 223 95.252 6.216 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL C 223 95.153 7.069 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL C 223 96.500 5.928 -4.234 1.00 0.00 H new ATOM 0 HG13 VAL C 223 95.010 5.394 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL C 223 92.979 6.837 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL C 223 92.754 5.144 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL C 223 92.804 5.564 -1.865 1.00 0.00 H new ATOM 1411 N VAL C 224 97.303 4.190 -1.288 1.00 0.00 N ATOM 1412 CA VAL C 224 98.800 4.032 -1.055 1.00 0.00 C ATOM 1413 C VAL C 224 99.176 2.527 -0.969 1.00 0.00 C ATOM 1414 O VAL C 224 100.280 2.153 -1.337 1.00 0.00 O ATOM 1415 CB VAL C 224 99.195 4.866 0.258 1.00 0.00 C ATOM 1416 CG1 VAL C 224 100.701 4.603 0.748 1.00 0.00 C ATOM 1417 CG2 VAL C 224 98.979 6.442 -0.007 1.00 0.00 C ATOM 0 H VAL C 224 96.812 4.612 -0.500 1.00 0.00 H new ATOM 0 HA VAL C 224 99.374 4.433 -1.891 1.00 0.00 H new ATOM 0 HB VAL C 224 98.538 4.520 1.056 1.00 0.00 H new ATOM 0 HG11 VAL C 224 100.903 5.197 1.639 1.00 0.00 H new ATOM 0 HG12 VAL C 224 100.829 3.546 0.980 1.00 0.00 H new ATOM 0 HG13 VAL C 224 101.396 4.887 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL C 224 99.249 7.002 0.888 1.00 0.00 H new ATOM 0 HG22 VAL C 224 99.608 6.761 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL C 224 97.933 6.630 -0.251 1.00 0.00 H new ATOM 1427 N LEU C 225 98.258 1.674 -0.440 1.00 0.00 N ATOM 1428 CA LEU C 225 98.545 0.181 -0.274 1.00 0.00 C ATOM 1429 C LEU C 225 98.750 -0.531 -1.650 1.00 0.00 C ATOM 1430 O LEU C 225 99.697 -1.296 -1.811 1.00 0.00 O ATOM 1431 CB LEU C 225 97.331 -0.458 0.535 1.00 0.00 C ATOM 1432 CG LEU C 225 97.414 -2.062 0.770 1.00 0.00 C ATOM 1433 CD1 LEU C 225 98.744 -2.490 1.518 1.00 0.00 C ATOM 1434 CD2 LEU C 225 96.127 -2.576 1.567 1.00 0.00 C ATOM 0 H LEU C 225 97.332 1.961 -0.123 1.00 0.00 H new ATOM 0 HA LEU C 225 99.477 0.045 0.274 1.00 0.00 H new ATOM 0 HB2 LEU C 225 97.268 0.031 1.507 1.00 0.00 H new ATOM 0 HB3 LEU C 225 96.406 -0.234 0.004 1.00 0.00 H new ATOM 0 HG LEU C 225 97.434 -2.534 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU C 225 98.754 -3.572 1.652 1.00 0.00 H new ATOM 0 HD12 LEU C 225 99.608 -2.190 0.925 1.00 0.00 H new ATOM 0 HD13 LEU C 225 98.786 -2.003 2.492 1.00 0.00 H new ATOM 0 HD21 LEU C 225 96.198 -3.653 1.716 1.00 0.00 H new ATOM 0 HD22 LEU C 225 96.076 -2.078 2.535 1.00 0.00 H new ATOM 0 HD23 LEU C 225 95.229 -2.348 0.993 1.00 0.00 H new ATOM 1446 N ILE C 226 97.825 -0.298 -2.625 1.00 0.00 N ATOM 1447 CA ILE C 226 97.895 -0.972 -4.001 1.00 0.00 C ATOM 1448 C ILE C 226 99.043 -0.443 -4.932 1.00 0.00 C ATOM 1449 O ILE C 226 99.749 -1.232 -5.527 1.00 0.00 O ATOM 1450 CB ILE C 226 96.452 -0.926 -4.712 1.00 0.00 C ATOM 1451 CG1 ILE C 226 96.436 -1.786 -6.094 1.00 0.00 C ATOM 1452 CG2 ILE C 226 95.983 0.573 -4.966 1.00 0.00 C ATOM 1453 CD1 ILE C 226 95.010 -1.975 -6.685 1.00 0.00 C ATOM 0 H ILE C 226 97.031 0.332 -2.511 1.00 0.00 H new ATOM 0 HA ILE C 226 98.168 -2.012 -3.823 1.00 0.00 H new ATOM 0 HB ILE C 226 95.739 -1.390 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE C 226 97.064 -1.287 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE C 226 96.878 -2.765 -5.910 1.00 0.00 H new ATOM 0 HG21 ILE C 226 95.005 0.572 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE C 226 95.918 1.100 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE C 226 96.704 1.076 -5.611 1.00 0.00 H new ATOM 0 HD11 ILE C 226 95.072 -2.556 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE C 226 94.384 -2.501 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE C 226 94.573 -1.000 -6.901 1.00 0.00 H new ATOM 1465 N VAL C 227 99.143 0.897 -5.141 1.00 0.00 N ATOM 1466 CA VAL C 227 100.150 1.525 -6.125 1.00 0.00 C ATOM 1467 C VAL C 227 101.638 1.366 -5.706 1.00 0.00 C ATOM 1468 O VAL C 227 102.514 1.260 -6.556 1.00 0.00 O ATOM 1469 CB VAL C 227 99.750 3.061 -6.393 1.00 0.00 C ATOM 1470 CG1 VAL C 227 100.067 3.986 -5.129 1.00 0.00 C ATOM 1471 CG2 VAL C 227 100.464 3.644 -7.706 1.00 0.00 C ATOM 0 H VAL C 227 98.558 1.581 -4.661 1.00 0.00 H new ATOM 0 HA VAL C 227 100.080 0.966 -7.058 1.00 0.00 H new ATOM 0 HB VAL C 227 98.673 3.075 -6.561 1.00 0.00 H new ATOM 0 HG11 VAL C 227 99.783 5.015 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL C 227 99.502 3.631 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL C 227 101.133 3.944 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL C 227 100.167 4.683 -7.851 1.00 0.00 H new ATOM 0 HG22 VAL C 227 101.546 3.589 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL C 227 100.164 3.057 -8.574 1.00 0.00 H new ATOM 1481 N ALA C 228 101.904 1.457 -4.386 1.00 0.00 N ATOM 1482 CA ALA C 228 103.315 1.437 -3.808 1.00 0.00 C ATOM 1483 C ALA C 228 104.131 0.148 -4.148 1.00 0.00 C ATOM 1484 O ALA C 228 105.348 0.227 -4.255 1.00 0.00 O ATOM 1485 CB ALA C 228 103.213 1.635 -2.248 1.00 0.00 C ATOM 0 H ALA C 228 101.175 1.546 -3.678 1.00 0.00 H new ATOM 0 HA ALA C 228 103.870 2.251 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA C 228 104.213 1.624 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA C 228 102.735 2.591 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA C 228 102.621 0.828 -1.817 1.00 0.00 H new ATOM 1491 N VAL C 229 103.473 -1.039 -4.293 1.00 0.00 N ATOM 1492 CA VAL C 229 104.226 -2.348 -4.603 1.00 0.00 C ATOM 1493 C VAL C 229 104.958 -2.252 -5.978 1.00 0.00 C ATOM 1494 O VAL C 229 106.046 -2.792 -6.143 1.00 0.00 O ATOM 1495 CB VAL C 229 103.261 -3.637 -4.497 1.00 0.00 C ATOM 1496 CG1 VAL C 229 102.464 -3.606 -3.106 1.00 0.00 C ATOM 1497 CG2 VAL C 229 102.238 -3.742 -5.724 1.00 0.00 C ATOM 0 H VAL C 229 102.462 -1.144 -4.209 1.00 0.00 H new ATOM 0 HA VAL C 229 104.992 -2.487 -3.840 1.00 0.00 H new ATOM 0 HB VAL C 229 103.894 -4.523 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL C 229 101.814 -4.478 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL C 229 103.174 -3.619 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL C 229 101.861 -2.699 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL C 229 101.613 -4.627 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL C 229 101.608 -2.853 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL C 229 102.796 -3.818 -6.657 1.00 0.00 H new ATOM 1507 N PHE C 230 104.327 -1.530 -6.956 1.00 0.00 N ATOM 1508 CA PHE C 230 104.924 -1.328 -8.349 1.00 0.00 C ATOM 1509 C PHE C 230 106.184 -0.406 -8.257 1.00 0.00 C ATOM 1510 O PHE C 230 107.172 -0.616 -8.949 1.00 0.00 O ATOM 1511 CB PHE C 230 103.827 -0.698 -9.298 1.00 0.00 C ATOM 1512 CG PHE C 230 102.585 -1.681 -9.436 1.00 0.00 C ATOM 1513 CD1 PHE C 230 101.532 -1.666 -8.466 1.00 0.00 C ATOM 1514 CD2 PHE C 230 102.484 -2.608 -10.530 1.00 0.00 C ATOM 1515 CE1 PHE C 230 100.423 -2.536 -8.586 1.00 0.00 C ATOM 1516 CE2 PHE C 230 101.369 -3.474 -10.635 1.00 0.00 C ATOM 1517 CZ PHE C 230 100.343 -3.437 -9.668 1.00 0.00 C ATOM 0 H PHE C 230 103.421 -1.080 -6.825 1.00 0.00 H new ATOM 0 HA PHE C 230 105.236 -2.287 -8.763 1.00 0.00 H new ATOM 0 HB2 PHE C 230 103.498 0.261 -8.898 1.00 0.00 H new ATOM 0 HB3 PHE C 230 104.256 -0.503 -10.281 1.00 0.00 H new ATOM 0 HD1 PHE C 230 101.585 -0.982 -7.632 1.00 0.00 H new ATOM 0 HD2 PHE C 230 103.264 -2.644 -11.277 1.00 0.00 H new ATOM 0 HE1 PHE C 230 99.636 -2.510 -7.847 1.00 0.00 H new ATOM 0 HE2 PHE C 230 101.304 -4.167 -11.461 1.00 0.00 H new ATOM 0 HZ PHE C 230 99.495 -4.100 -9.756 1.00 0.00 H new ATOM 1527 N VAL C 231 106.097 0.623 -7.378 1.00 0.00 N ATOM 1528 CA VAL C 231 107.212 1.639 -7.143 1.00 0.00 C ATOM 1529 C VAL C 231 108.423 0.937 -6.453 1.00 0.00 C ATOM 1530 O VAL C 231 109.572 1.200 -6.784 1.00 0.00 O ATOM 1531 CB VAL C 231 106.634 2.855 -6.264 1.00 0.00 C ATOM 1532 CG1 VAL C 231 107.746 3.981 -5.987 1.00 0.00 C ATOM 1533 CG2 VAL C 231 105.361 3.512 -6.996 1.00 0.00 C ATOM 0 H VAL C 231 105.270 0.792 -6.806 1.00 0.00 H new ATOM 0 HA VAL C 231 107.568 2.046 -8.089 1.00 0.00 H new ATOM 0 HB VAL C 231 106.332 2.445 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL C 231 107.311 4.783 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL C 231 108.584 3.540 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL C 231 108.098 4.385 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL C 231 104.978 4.334 -6.392 1.00 0.00 H new ATOM 0 HG22 VAL C 231 105.658 3.889 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL C 231 104.583 2.759 -7.118 1.00 0.00 H new ATOM 1543 N CYS C 232 108.118 0.047 -5.472 1.00 0.00 N ATOM 1544 CA CYS C 232 109.168 -0.726 -4.679 1.00 0.00 C ATOM 1545 C CYS C 232 109.964 -1.684 -5.618 1.00 0.00 C ATOM 1546 O CYS C 232 111.165 -1.848 -5.471 1.00 0.00 O ATOM 1547 CB CYS C 232 108.446 -1.526 -3.531 1.00 0.00 C ATOM 1548 SG CYS C 232 107.633 -0.377 -2.378 1.00 0.00 S ATOM 0 H CYS C 232 107.160 -0.168 -5.196 1.00 0.00 H new ATOM 0 HA CYS C 232 109.884 -0.033 -4.237 1.00 0.00 H new ATOM 0 HB2 CYS C 232 107.709 -2.205 -3.959 1.00 0.00 H new ATOM 0 HB3 CYS C 232 109.170 -2.139 -2.994 1.00 0.00 H new ATOM 0 HG CYS C 232 106.538 0.074 -2.914 1.00 0.00 H new ATOM 1554 N LYS C 233 109.245 -2.308 -6.583 1.00 0.00 N ATOM 1555 CA LYS C 233 109.854 -3.272 -7.594 1.00 0.00 C ATOM 1556 C LYS C 233 110.710 -2.477 -8.617 1.00 0.00 C ATOM 1557 O LYS C 233 111.833 -2.836 -8.925 1.00 0.00 O ATOM 1558 CB LYS C 233 108.674 -4.064 -8.311 1.00 0.00 C ATOM 1559 CG LYS C 233 109.199 -5.218 -9.295 1.00 0.00 C ATOM 1560 CD LYS C 233 107.990 -6.021 -9.972 1.00 0.00 C ATOM 1561 CE LYS C 233 108.512 -7.173 -10.923 1.00 0.00 C ATOM 1562 NZ LYS C 233 109.341 -6.573 -12.008 1.00 0.00 N ATOM 0 H LYS C 233 108.241 -2.175 -6.701 1.00 0.00 H new ATOM 0 HA LYS C 233 110.508 -3.990 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS C 233 108.028 -4.507 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS C 233 108.064 -3.361 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS C 233 109.822 -4.776 -10.073 1.00 0.00 H new ATOM 0 HG3 LYS C 233 109.829 -5.912 -8.738 1.00 0.00 H new ATOM 0 HD2 LYS C 233 107.357 -6.450 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS C 233 107.369 -5.331 -10.543 1.00 0.00 H new ATOM 0 HE2 LYS C 233 109.101 -7.892 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS C 233 107.670 -7.718 -11.351 1.00 0.00 H new ATOM 0 HZ1 LYS C 233 109.517 -7.286 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS C 233 108.837 -5.764 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS C 233 110.248 -6.251 -11.614 1.00 0.00 H new