USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=14 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 29:sc= 0.071 USER MOD Single : A 217 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 THR OG1 : rot -70:sc= 0.798 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 -43:sc= 1.24 USER MOD Single : B 212 SER OG : rot 31:sc= 0.0883 USER MOD Single : B 217 TYR OH : rot 180:sc= 0 USER MOD Single : B 219 THR OG1 : rot -63:sc= 0.98 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 -78:sc= 0.543 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 -61:sc= 0.95 USER MOD Single : C 232 CYS SG : rot 77:sc= 0.865 USER MOD Single : C 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 212 85.686 19.829 0.706 1.00256.86 N ATOM 72 CA SER A 212 84.570 18.814 0.898 1.00224.46 C ATOM 73 C SER A 212 84.448 17.915 -0.362 1.00171.84 C ATOM 74 O SER A 212 83.936 16.817 -0.293 1.00142.76 O ATOM 75 CB SER A 212 83.241 19.581 1.195 1.00312.16 C ATOM 76 OG SER A 212 83.397 20.305 2.409 1.00422.23 O ATOM 0 HA SER A 212 84.790 18.160 1.742 1.00224.46 H new ATOM 0 HB2 SER A 212 83.006 20.261 0.376 1.00312.16 H new ATOM 0 HB3 SER A 212 82.410 18.880 1.276 1.00312.16 H new ATOM 0 HG SER A 212 84.341 20.538 2.532 1.00422.23 H new ATOM 82 N GLY A 213 84.921 18.445 -1.509 1.00182.12 N ATOM 83 CA GLY A 213 84.874 17.729 -2.839 1.00156.80 C ATOM 84 C GLY A 213 85.911 16.595 -2.956 1.00118.11 C ATOM 85 O GLY A 213 85.569 15.485 -3.355 1.00101.99 O ATOM 0 H GLY A 213 85.346 19.371 -1.560 1.00182.12 H new ATOM 0 HA2 GLY A 213 83.876 17.316 -2.987 1.00156.80 H new ATOM 0 HA3 GLY A 213 85.042 18.450 -3.639 1.00156.80 H new ATOM 89 N ILE A 214 87.215 16.890 -2.640 1.00120.78 N ATOM 90 CA ILE A 214 88.341 15.854 -2.762 1.00106.48 C ATOM 91 C ILE A 214 88.150 14.699 -1.736 1.00 73.22 C ATOM 92 O ILE A 214 88.431 13.548 -2.044 1.00 62.12 O ATOM 93 CB ILE A 214 89.775 16.564 -2.645 1.00143.44 C ATOM 94 CG1 ILE A 214 91.001 15.546 -2.963 1.00254.65 C ATOM 95 CG2 ILE A 214 89.972 17.227 -1.210 1.00297.08 C ATOM 96 CD1 ILE A 214 90.977 14.923 -4.396 1.00429.52 C ATOM 0 H ILE A 214 87.523 17.804 -2.307 1.00120.78 H new ATOM 0 HA ILE A 214 88.295 15.397 -3.750 1.00106.48 H new ATOM 0 HB ILE A 214 89.794 17.347 -3.403 1.00143.44 H new ATOM 0 HG12 ILE A 214 91.942 16.079 -2.829 1.00254.65 H new ATOM 0 HG13 ILE A 214 90.985 14.739 -2.230 1.00254.65 H new ATOM 0 HG21 ILE A 214 90.952 17.701 -1.160 1.00297.08 H new ATOM 0 HG22 ILE A 214 89.198 17.977 -1.046 1.00297.08 H new ATOM 0 HG23 ILE A 214 89.901 16.458 -0.441 1.00297.08 H new ATOM 0 HD11 ILE A 214 91.832 14.258 -4.518 1.00429.52 H new ATOM 0 HD12 ILE A 214 90.055 14.358 -4.532 1.00429.52 H new ATOM 0 HD13 ILE A 214 91.027 15.718 -5.139 1.00429.52 H new ATOM 108 N ILE A 215 87.667 15.038 -0.497 1.00 74.46 N ATOM 109 CA ILE A 215 87.430 13.998 0.614 1.00 61.51 C ATOM 110 C ILE A 215 86.356 12.950 0.164 1.00 43.87 C ATOM 111 O ILE A 215 86.504 11.770 0.431 1.00 36.40 O ATOM 112 CB ILE A 215 87.022 14.751 1.978 1.00 90.25 C ATOM 113 CG1 ILE A 215 88.218 15.717 2.518 1.00166.60 C ATOM 114 CG2 ILE A 215 86.544 13.747 3.139 1.00261.13 C ATOM 115 CD1 ILE A 215 89.430 14.990 3.184 1.00386.43 C ATOM 0 H ILE A 215 87.433 15.993 -0.227 1.00 74.46 H new ATOM 0 HA ILE A 215 88.349 13.443 0.803 1.00 61.51 H new ATOM 0 HB ILE A 215 86.164 15.372 1.721 1.00 90.25 H new ATOM 0 HG12 ILE A 215 88.588 16.308 1.680 1.00166.60 H new ATOM 0 HG13 ILE A 215 87.797 16.417 3.240 1.00166.60 H new ATOM 0 HG21 ILE A 215 86.284 14.319 4.030 1.00261.13 H new ATOM 0 HG22 ILE A 215 85.673 13.187 2.800 1.00261.13 H new ATOM 0 HG23 ILE A 215 87.351 13.054 3.376 1.00261.13 H new ATOM 0 HD11 ILE A 215 90.165 15.728 3.506 1.00386.43 H new ATOM 0 HD12 ILE A 215 89.084 14.422 4.048 1.00386.43 H new ATOM 0 HD13 ILE A 215 89.888 14.312 2.464 1.00386.43 H new ATOM 127 N ILE A 216 85.258 13.399 -0.495 1.00 47.95 N ATOM 128 CA ILE A 216 84.158 12.455 -0.994 1.00 43.36 C ATOM 129 C ILE A 216 84.703 11.612 -2.194 1.00 35.60 C ATOM 130 O ILE A 216 84.445 10.421 -2.300 1.00 33.24 O ATOM 131 CB ILE A 216 82.857 13.319 -1.365 1.00 61.63 C ATOM 132 CG1 ILE A 216 82.285 14.042 -0.028 1.00 81.49 C ATOM 133 CG2 ILE A 216 81.707 12.417 -2.042 1.00 67.16 C ATOM 134 CD1 ILE A 216 81.178 15.098 -0.321 1.00161.88 C ATOM 0 H ILE A 216 85.088 14.383 -0.703 1.00 47.95 H new ATOM 0 HA ILE A 216 83.864 11.747 -0.220 1.00 43.36 H new ATOM 0 HB ILE A 216 83.152 14.072 -2.096 1.00 61.63 H new ATOM 0 HG12 ILE A 216 81.884 13.283 0.643 1.00 81.49 H new ATOM 0 HG13 ILE A 216 83.109 14.526 0.495 1.00 81.49 H new ATOM 0 HG21 ILE A 216 80.845 13.042 -2.277 1.00 67.16 H new ATOM 0 HG22 ILE A 216 82.089 11.967 -2.958 1.00 67.16 H new ATOM 0 HG23 ILE A 216 81.407 11.630 -1.350 1.00 67.16 H new ATOM 0 HD11 ILE A 216 80.841 15.542 0.616 1.00161.88 H new ATOM 0 HD12 ILE A 216 81.581 15.878 -0.967 1.00161.88 H new ATOM 0 HD13 ILE A 216 80.336 14.615 -0.817 1.00161.88 H new ATOM 146 N TYR A 217 85.396 12.308 -3.125 1.00 43.22 N ATOM 147 CA TYR A 217 85.938 11.698 -4.416 1.00 51.06 C ATOM 148 C TYR A 217 87.081 10.650 -4.208 1.00 38.66 C ATOM 149 O TYR A 217 87.125 9.663 -4.936 1.00 39.74 O ATOM 150 CB TYR A 217 86.425 12.869 -5.368 1.00 80.23 C ATOM 151 CG TYR A 217 86.789 12.336 -6.827 1.00178.50 C ATOM 152 CD1 TYR A 217 85.798 12.282 -7.861 1.00351.30 C ATOM 153 CD2 TYR A 217 88.111 11.870 -7.132 1.00455.64 C ATOM 154 CE1 TYR A 217 86.130 11.786 -9.143 1.00665.07 C ATOM 155 CE2 TYR A 217 88.415 11.382 -8.424 1.00779.53 C ATOM 156 CZ TYR A 217 87.429 11.343 -9.416 1.00822.73 C ATOM 157 OH TYR A 217 87.739 10.860 -10.675 1.00999.99 O ATOM 0 H TYR A 217 85.607 13.301 -3.028 1.00 43.22 H new ATOM 0 HA TYR A 217 85.120 11.137 -4.869 1.00 51.06 H new ATOM 0 HB2 TYR A 217 85.644 13.625 -5.442 1.00 80.23 H new ATOM 0 HB3 TYR A 217 87.298 13.354 -4.930 1.00 80.23 H new ATOM 0 HD1 TYR A 217 84.793 12.622 -7.660 1.00351.30 H new ATOM 0 HD2 TYR A 217 88.878 11.892 -6.372 1.00455.64 H new ATOM 0 HE1 TYR A 217 85.377 11.749 -9.916 1.00665.07 H new ATOM 0 HE2 TYR A 217 89.414 11.037 -8.646 1.00779.53 H new ATOM 0 HH TYR A 217 88.682 10.594 -10.700 1.00999.99 H new ATOM 167 N VAL A 218 88.047 10.895 -3.264 1.00 33.22 N ATOM 168 CA VAL A 218 89.244 9.941 -3.065 1.00 30.21 C ATOM 169 C VAL A 218 88.763 8.493 -2.730 1.00 22.48 C ATOM 170 O VAL A 218 89.416 7.521 -3.088 1.00 25.62 O ATOM 171 CB VAL A 218 90.254 10.535 -1.967 1.00 33.88 C ATOM 172 CG1 VAL A 218 89.540 10.696 -0.557 1.00164.70 C ATOM 173 CG2 VAL A 218 91.585 9.644 -1.834 1.00168.06 C ATOM 0 H VAL A 218 88.044 11.704 -2.642 1.00 33.22 H new ATOM 0 HA VAL A 218 89.797 9.867 -4.001 1.00 30.21 H new ATOM 0 HB VAL A 218 90.555 11.524 -2.311 1.00 33.88 H new ATOM 0 HG11 VAL A 218 90.249 11.100 0.166 1.00164.70 H new ATOM 0 HG12 VAL A 218 88.693 11.375 -0.654 1.00164.70 H new ATOM 0 HG13 VAL A 218 89.188 9.723 -0.214 1.00164.70 H new ATOM 0 HG21 VAL A 218 92.241 10.080 -1.081 1.00168.06 H new ATOM 0 HG22 VAL A 218 91.316 8.630 -1.537 1.00168.06 H new ATOM 0 HG23 VAL A 218 92.102 9.616 -2.793 1.00168.06 H new ATOM 183 N THR A 219 87.599 8.387 -2.036 1.00 16.65 N ATOM 184 CA THR A 219 86.977 7.051 -1.636 1.00 13.62 C ATOM 185 C THR A 219 86.449 6.310 -2.886 1.00 17.62 C ATOM 186 O THR A 219 86.714 5.135 -3.086 1.00 18.04 O ATOM 187 CB THR A 219 85.769 7.294 -0.628 1.00 13.05 C ATOM 188 OG1 THR A 219 84.693 7.924 -1.324 1.00 21.50 O ATOM 189 CG2 THR A 219 86.168 8.228 0.564 1.00 11.07 C ATOM 0 H THR A 219 87.057 9.196 -1.732 1.00 16.65 H new ATOM 0 HA THR A 219 87.743 6.445 -1.153 1.00 13.62 H new ATOM 0 HB THR A 219 85.483 6.320 -0.232 1.00 13.05 H new ATOM 0 HG1 THR A 219 84.943 8.844 -1.549 1.00 21.50 H new ATOM 0 HG21 THR A 219 85.311 8.363 1.223 1.00 11.07 H new ATOM 0 HG22 THR A 219 86.987 7.775 1.122 1.00 11.07 H new ATOM 0 HG23 THR A 219 86.484 9.197 0.177 1.00 11.07 H new ATOM 197 N VAL A 220 85.683 7.056 -3.722 1.00 23.98 N ATOM 198 CA VAL A 220 85.062 6.520 -5.005 1.00 33.16 C ATOM 199 C VAL A 220 86.191 6.213 -6.026 1.00 36.12 C ATOM 200 O VAL A 220 86.091 5.279 -6.806 1.00 41.73 O ATOM 201 CB VAL A 220 84.003 7.587 -5.577 1.00 46.00 C ATOM 202 CG1 VAL A 220 83.271 7.050 -6.903 1.00133.33 C ATOM 203 CG2 VAL A 220 82.910 7.937 -4.452 1.00220.71 C ATOM 0 H VAL A 220 85.468 8.038 -3.547 1.00 23.98 H new ATOM 0 HA VAL A 220 84.522 5.593 -4.812 1.00 33.16 H new ATOM 0 HB VAL A 220 84.555 8.488 -5.843 1.00 46.00 H new ATOM 0 HG11 VAL A 220 82.564 7.800 -7.257 1.00133.33 H new ATOM 0 HG12 VAL A 220 84.014 6.858 -7.677 1.00133.33 H new ATOM 0 HG13 VAL A 220 82.737 6.127 -6.676 1.00133.33 H new ATOM 0 HG21 VAL A 220 82.198 8.660 -4.849 1.00220.71 H new ATOM 0 HG22 VAL A 220 82.382 7.028 -4.163 1.00220.71 H new ATOM 0 HG23 VAL A 220 83.408 8.360 -3.580 1.00220.71 H new ATOM 213 N ALA A 221 87.268 7.044 -5.993 1.00 37.92 N ATOM 214 CA ALA A 221 88.463 6.900 -6.925 1.00 46.69 C ATOM 215 C ALA A 221 89.139 5.505 -6.757 1.00 36.38 C ATOM 216 O ALA A 221 89.653 4.935 -7.711 1.00 42.09 O ATOM 217 CB ALA A 221 89.496 8.053 -6.640 1.00 59.04 C ATOM 0 H ALA A 221 87.350 7.823 -5.340 1.00 37.92 H new ATOM 0 HA ALA A 221 88.115 6.977 -7.955 1.00 46.69 H new ATOM 0 HB1 ALA A 221 90.351 7.949 -7.308 1.00 59.04 H new ATOM 0 HB2 ALA A 221 89.019 9.019 -6.809 1.00 59.04 H new ATOM 0 HB3 ALA A 221 89.834 7.991 -5.606 1.00 59.04 H new ATOM 223 N ALA A 222 89.136 4.995 -5.500 1.00 25.92 N ATOM 224 CA ALA A 222 89.752 3.652 -5.152 1.00 21.20 C ATOM 225 C ALA A 222 88.910 2.480 -5.737 1.00 17.88 C ATOM 226 O ALA A 222 89.453 1.522 -6.249 1.00 17.65 O ATOM 227 CB ALA A 222 89.867 3.548 -3.585 1.00 20.39 C ATOM 0 H ALA A 222 88.721 5.476 -4.702 1.00 25.92 H new ATOM 0 HA ALA A 222 90.745 3.577 -5.596 1.00 21.20 H new ATOM 0 HB1 ALA A 222 90.308 2.588 -3.315 1.00 20.39 H new ATOM 0 HB2 ALA A 222 90.498 4.355 -3.212 1.00 20.39 H new ATOM 0 HB3 ALA A 222 88.875 3.629 -3.141 1.00 20.39 H new ATOM 233 N VAL A 223 87.567 2.577 -5.603 1.00 19.30 N ATOM 234 CA VAL A 223 86.593 1.498 -6.078 1.00 21.40 C ATOM 235 C VAL A 223 86.610 1.348 -7.632 1.00 22.58 C ATOM 236 O VAL A 223 86.618 0.227 -8.135 1.00 22.69 O ATOM 237 CB VAL A 223 85.122 1.833 -5.518 1.00 29.12 C ATOM 238 CG1 VAL A 223 84.039 0.726 -5.954 1.00 37.84 C ATOM 239 CG2 VAL A 223 85.154 1.956 -3.915 1.00 29.56 C ATOM 0 H VAL A 223 87.108 3.380 -5.174 1.00 19.30 H new ATOM 0 HA VAL A 223 86.907 0.533 -5.681 1.00 21.40 H new ATOM 0 HB VAL A 223 84.819 2.784 -5.956 1.00 29.12 H new ATOM 0 HG11 VAL A 223 83.062 0.995 -5.553 1.00 37.84 H new ATOM 0 HG12 VAL A 223 83.984 0.679 -7.042 1.00 37.84 H new ATOM 0 HG13 VAL A 223 84.336 -0.247 -5.563 1.00 37.84 H new ATOM 0 HG21 VAL A 223 84.153 2.183 -3.547 1.00 29.56 H new ATOM 0 HG22 VAL A 223 85.494 1.014 -3.485 1.00 29.56 H new ATOM 0 HG23 VAL A 223 85.837 2.755 -3.625 1.00 29.56 H new ATOM 249 N VAL A 224 86.586 2.485 -8.395 1.00 27.49 N ATOM 250 CA VAL A 224 86.570 2.431 -9.925 1.00 32.43 C ATOM 251 C VAL A 224 87.914 1.855 -10.463 1.00 30.09 C ATOM 252 O VAL A 224 87.947 1.212 -11.498 1.00 33.18 O ATOM 253 CB VAL A 224 86.248 3.886 -10.535 1.00 48.42 C ATOM 254 CG1 VAL A 224 84.814 4.398 -10.022 1.00161.48 C ATOM 255 CG2 VAL A 224 87.376 4.934 -10.125 1.00282.57 C ATOM 0 H VAL A 224 86.577 3.429 -8.008 1.00 27.49 H new ATOM 0 HA VAL A 224 85.776 1.759 -10.250 1.00 32.43 H new ATOM 0 HB VAL A 224 86.230 3.803 -11.622 1.00 48.42 H new ATOM 0 HG11 VAL A 224 84.608 5.383 -10.441 1.00161.48 H new ATOM 0 HG12 VAL A 224 84.042 3.698 -10.342 1.00161.48 H new ATOM 0 HG13 VAL A 224 84.818 4.461 -8.934 1.00161.48 H new ATOM 0 HG21 VAL A 224 87.137 5.910 -10.548 1.00282.57 H new ATOM 0 HG22 VAL A 224 87.423 5.011 -9.039 1.00282.57 H new ATOM 0 HG23 VAL A 224 88.340 4.599 -10.507 1.00282.57 H new ATOM 265 N LEU A 225 89.026 2.144 -9.729 1.00 29.68 N ATOM 266 CA LEU A 225 90.432 1.702 -10.122 1.00 34.31 C ATOM 267 C LEU A 225 90.584 0.150 -10.119 1.00 29.82 C ATOM 268 O LEU A 225 91.308 -0.387 -10.941 1.00 35.43 O ATOM 269 CB LEU A 225 91.460 2.407 -9.141 1.00 44.81 C ATOM 270 CG LEU A 225 93.023 2.073 -9.416 1.00 42.84 C ATOM 271 CD1 LEU A 225 93.473 2.440 -10.892 1.00170.35 C ATOM 272 CD2 LEU A 225 93.946 2.821 -8.346 1.00100.49 C ATOM 0 H LEU A 225 88.995 2.679 -8.861 1.00 29.68 H new ATOM 0 HA LEU A 225 90.638 2.007 -11.148 1.00 34.31 H new ATOM 0 HB2 LEU A 225 91.319 3.486 -9.208 1.00 44.81 H new ATOM 0 HB3 LEU A 225 91.218 2.117 -8.119 1.00 44.81 H new ATOM 0 HG LEU A 225 93.145 0.995 -9.307 1.00 42.84 H new ATOM 0 HD11 LEU A 225 94.527 2.196 -11.022 1.00170.35 H new ATOM 0 HD12 LEU A 225 92.878 1.870 -11.606 1.00170.35 H new ATOM 0 HD13 LEU A 225 93.323 3.506 -11.064 1.00170.35 H new ATOM 0 HD21 LEU A 225 94.993 2.588 -8.542 1.00100.49 H new ATOM 0 HD22 LEU A 225 93.793 3.897 -8.423 1.00100.49 H new ATOM 0 HD23 LEU A 225 93.682 2.488 -7.342 1.00100.49 H new ATOM 284 N ILE A 226 89.912 -0.550 -9.162 1.00 26.05 N ATOM 285 CA ILE A 226 89.997 -2.079 -9.034 1.00 29.61 C ATOM 286 C ILE A 226 89.268 -2.767 -10.235 1.00 24.84 C ATOM 287 O ILE A 226 89.825 -3.638 -10.877 1.00 27.57 O ATOM 288 CB ILE A 226 89.398 -2.515 -7.606 1.00 41.84 C ATOM 289 CG1 ILE A 226 90.289 -1.861 -6.416 1.00 95.03 C ATOM 290 CG2 ILE A 226 89.342 -4.116 -7.438 1.00138.01 C ATOM 291 CD1 ILE A 226 89.658 -2.024 -5.004 1.00145.71 C ATOM 0 H ILE A 226 89.308 -0.111 -8.467 1.00 26.05 H new ATOM 0 HA ILE A 226 91.035 -2.409 -9.077 1.00 29.61 H new ATOM 0 HB ILE A 226 88.374 -2.145 -7.548 1.00 41.84 H new ATOM 0 HG12 ILE A 226 91.277 -2.321 -6.418 1.00 95.03 H new ATOM 0 HG13 ILE A 226 90.431 -0.800 -6.621 1.00 95.03 H new ATOM 0 HG21 ILE A 226 88.931 -4.365 -6.460 1.00138.01 H new ATOM 0 HG22 ILE A 226 88.709 -4.542 -8.216 1.00138.01 H new ATOM 0 HG23 ILE A 226 90.348 -4.526 -7.524 1.00138.01 H new ATOM 0 HD11 ILE A 226 90.308 -1.564 -4.260 1.00145.71 H new ATOM 0 HD12 ILE A 226 88.682 -1.539 -4.983 1.00145.71 H new ATOM 0 HD13 ILE A 226 89.541 -3.084 -4.778 1.00145.71 H new ATOM 303 N VAL A 227 87.994 -2.395 -10.494 1.00 25.42 N ATOM 304 CA VAL A 227 87.165 -3.010 -11.625 1.00 31.54 C ATOM 305 C VAL A 227 87.724 -2.635 -13.038 1.00 29.93 C ATOM 306 O VAL A 227 87.662 -3.432 -13.954 1.00 37.63 O ATOM 307 CB VAL A 227 85.623 -2.593 -11.445 1.00 47.17 C ATOM 308 CG1 VAL A 227 85.062 -3.132 -10.038 1.00205.37 C ATOM 309 CG2 VAL A 227 85.458 -1.008 -11.524 1.00 60.28 C ATOM 0 H VAL A 227 87.497 -1.683 -9.958 1.00 25.42 H new ATOM 0 HA VAL A 227 87.238 -4.096 -11.562 1.00 31.54 H new ATOM 0 HB VAL A 227 85.049 -3.045 -12.254 1.00 47.17 H new ATOM 0 HG11 VAL A 227 84.017 -2.843 -9.928 1.00205.37 H new ATOM 0 HG12 VAL A 227 85.143 -4.218 -10.006 1.00205.37 H new ATOM 0 HG13 VAL A 227 85.645 -2.700 -9.224 1.00205.37 H new ATOM 0 HG21 VAL A 227 84.408 -0.745 -11.400 1.00 60.28 H new ATOM 0 HG22 VAL A 227 86.045 -0.541 -10.733 1.00 60.28 H new ATOM 0 HG23 VAL A 227 85.809 -0.654 -12.493 1.00 60.28 H new ATOM 319 N ALA A 228 88.218 -1.377 -13.198 1.00 29.25 N ATOM 320 CA ALA A 228 88.722 -0.841 -14.546 1.00 40.66 C ATOM 321 C ALA A 228 89.888 -1.695 -15.140 1.00 39.03 C ATOM 322 O ALA A 228 89.857 -2.046 -16.316 1.00 48.57 O ATOM 323 CB ALA A 228 89.172 0.659 -14.360 1.00 54.00 C ATOM 0 H ALA A 228 88.288 -0.703 -12.436 1.00 29.25 H new ATOM 0 HA ALA A 228 87.903 -0.906 -15.263 1.00 40.66 H new ATOM 0 HB1 ALA A 228 89.532 1.051 -15.311 1.00 54.00 H new ATOM 0 HB2 ALA A 228 88.324 1.254 -14.020 1.00 54.00 H new ATOM 0 HB3 ALA A 228 89.971 0.710 -13.620 1.00 54.00 H new ATOM 329 N VAL A 229 90.909 -2.027 -14.309 1.00 36.37 N ATOM 330 CA VAL A 229 92.107 -2.867 -14.763 1.00 44.70 C ATOM 331 C VAL A 229 91.625 -4.295 -15.185 1.00 52.80 C ATOM 332 O VAL A 229 92.178 -4.882 -16.104 1.00 67.52 O ATOM 333 CB VAL A 229 93.240 -2.887 -13.624 1.00 60.59 C ATOM 334 CG1 VAL A 229 92.650 -3.388 -12.238 1.00133.25 C ATOM 335 CG2 VAL A 229 94.507 -3.771 -14.059 1.00167.28 C ATOM 0 H VAL A 229 90.951 -1.743 -13.330 1.00 36.37 H new ATOM 0 HA VAL A 229 92.567 -2.417 -15.643 1.00 44.70 H new ATOM 0 HB VAL A 229 93.585 -1.861 -13.496 1.00 60.59 H new ATOM 0 HG11 VAL A 229 93.439 -3.391 -11.486 1.00133.25 H new ATOM 0 HG12 VAL A 229 91.849 -2.720 -11.921 1.00133.25 H new ATOM 0 HG13 VAL A 229 92.256 -4.397 -12.354 1.00133.25 H new ATOM 0 HG21 VAL A 229 95.250 -3.759 -13.262 1.00167.28 H new ATOM 0 HG22 VAL A 229 94.189 -4.797 -14.243 1.00167.28 H new ATOM 0 HG23 VAL A 229 94.944 -3.358 -14.968 1.00167.28 H new ATOM 345 N PHE A 230 90.575 -4.839 -14.498 1.00 59.01 N ATOM 346 CA PHE A 230 89.996 -6.228 -14.830 1.00 92.34 C ATOM 347 C PHE A 230 89.255 -6.174 -16.211 1.00 98.31 C ATOM 348 O PHE A 230 89.399 -7.075 -17.030 1.00131.99 O ATOM 349 CB PHE A 230 89.015 -6.719 -13.650 1.00126.91 C ATOM 350 CG PHE A 230 89.762 -7.698 -12.632 1.00 81.32 C ATOM 351 CD1 PHE A 230 90.409 -7.200 -11.456 1.00243.68 C ATOM 352 CD2 PHE A 230 89.821 -9.108 -12.891 1.00207.79 C ATOM 353 CE1 PHE A 230 91.082 -8.081 -10.576 1.00382.56 C ATOM 354 CE2 PHE A 230 90.495 -9.976 -12.001 1.00356.85 C ATOM 355 CZ PHE A 230 91.123 -9.464 -10.847 1.00372.92 C ATOM 0 H PHE A 230 90.105 -4.369 -13.725 1.00 59.01 H new ATOM 0 HA PHE A 230 90.806 -6.953 -14.907 1.00 92.34 H new ATOM 0 HB2 PHE A 230 88.634 -5.853 -13.109 1.00126.91 H new ATOM 0 HB3 PHE A 230 88.154 -7.230 -14.081 1.00126.91 H new ATOM 0 HD1 PHE A 230 90.383 -6.142 -11.238 1.00243.68 H new ATOM 0 HD2 PHE A 230 89.346 -9.510 -13.774 1.00207.79 H new ATOM 0 HE1 PHE A 230 91.566 -7.692 -9.693 1.00382.56 H new ATOM 0 HE2 PHE A 230 90.529 -11.036 -12.206 1.00356.85 H new ATOM 0 HZ PHE A 230 91.636 -10.132 -10.170 1.00372.92 H new ATOM 365 N VAL A 231 88.470 -5.085 -16.447 1.00 88.20 N ATOM 366 CA VAL A 231 87.695 -4.873 -17.753 1.00125.48 C ATOM 367 C VAL A 231 88.698 -4.609 -18.915 1.00135.40 C ATOM 368 O VAL A 231 88.432 -4.959 -20.057 1.00172.11 O ATOM 369 CB VAL A 231 86.636 -3.683 -17.554 1.00152.46 C ATOM 370 CG1 VAL A 231 85.907 -3.265 -18.926 1.00396.06 C ATOM 371 CG2 VAL A 231 85.527 -4.111 -16.467 1.00103.57 C ATOM 0 H VAL A 231 88.343 -4.333 -15.770 1.00 88.20 H new ATOM 0 HA VAL A 231 87.129 -5.766 -18.018 1.00125.48 H new ATOM 0 HB VAL A 231 87.195 -2.816 -17.204 1.00152.46 H new ATOM 0 HG11 VAL A 231 85.202 -2.457 -18.732 1.00396.06 H new ATOM 0 HG12 VAL A 231 86.653 -2.931 -19.647 1.00396.06 H new ATOM 0 HG13 VAL A 231 85.371 -4.124 -19.330 1.00396.06 H new ATOM 0 HG21 VAL A 231 84.812 -3.299 -16.337 1.00103.57 H new ATOM 0 HG22 VAL A 231 85.004 -5.003 -16.812 1.00103.57 H new ATOM 0 HG23 VAL A 231 86.013 -4.322 -15.515 1.00103.57 H new ATOM 381 N CYS A 232 89.850 -3.964 -18.593 1.00115.34 N ATOM 382 CA CYS A 232 90.930 -3.620 -19.617 1.00138.76 C ATOM 383 C CYS A 232 91.565 -4.921 -20.198 1.00139.46 C ATOM 384 O CYS A 232 91.859 -5.003 -21.383 1.00166.87 O ATOM 385 CB CYS A 232 92.015 -2.712 -18.927 1.00139.28 C ATOM 386 SG CYS A 232 93.254 -2.121 -20.127 1.00241.93 S ATOM 0 H CYS A 232 90.075 -3.664 -17.644 1.00115.34 H new ATOM 0 HA CYS A 232 90.489 -3.074 -20.451 1.00138.76 H new ATOM 0 HB2 CYS A 232 91.529 -1.859 -18.454 1.00139.28 H new ATOM 0 HB3 CYS A 232 92.512 -3.274 -18.136 1.00139.28 H new ATOM 0 HG CYS A 232 94.127 -1.375 -19.517 1.00241.93 H new ATOM 392 N LYS A 233 91.768 -5.926 -19.311 1.00124.28 N ATOM 393 CA LYS A 233 92.376 -7.272 -19.685 1.00144.70 C ATOM 394 C LYS A 233 91.321 -8.162 -20.391 1.00172.83 C ATOM 395 O LYS A 233 91.665 -8.943 -21.262 1.00199.77 O ATOM 396 CB LYS A 233 92.947 -7.971 -18.373 1.00154.39 C ATOM 397 CG LYS A 233 94.221 -7.194 -17.783 1.00276.32 C ATOM 398 CD LYS A 233 94.772 -7.876 -16.445 1.00410.07 C ATOM 399 CE LYS A 233 96.068 -7.161 -15.899 1.00603.52 C ATOM 400 NZ LYS A 233 96.500 -7.834 -14.641 1.00962.60 N ATOM 0 H LYS A 233 91.526 -5.850 -18.323 1.00124.28 H new ATOM 0 HA LYS A 233 93.198 -7.124 -20.385 1.00144.70 H new ATOM 0 HB2 LYS A 233 92.165 -8.013 -17.615 1.00154.39 H new ATOM 0 HB3 LYS A 233 93.224 -9.000 -18.602 1.00154.39 H new ATOM 0 HG2 LYS A 233 95.012 -7.174 -18.532 1.00276.32 H new ATOM 0 HG3 LYS A 233 93.951 -6.158 -17.577 1.00276.32 H new ATOM 0 HD2 LYS A 233 93.996 -7.850 -15.680 1.00410.07 H new ATOM 0 HD3 LYS A 233 94.993 -8.926 -16.639 1.00410.07 H new ATOM 0 HE2 LYS A 233 96.864 -7.206 -16.642 1.00603.52 H new ATOM 0 HE3 LYS A 233 95.866 -6.107 -15.712 1.00603.52 H new ATOM 0 HZ1 LYS A 233 97.355 -7.368 -14.274 1.00962.60 H new ATOM 0 HZ2 LYS A 233 95.740 -7.769 -13.934 1.00962.60 H new ATOM 0 HZ3 LYS A 233 96.707 -8.834 -14.836 1.00962.60 H new ATOM 414 N SER A 234 90.027 -8.030 -20.002 1.00182.74 N ATOM 415 CA SER A 234 88.894 -8.858 -20.619 1.00237.73 C ATOM 416 C SER A 234 88.745 -8.531 -22.129 1.00269.89 C ATOM 417 O SER A 234 88.250 -9.339 -22.900 1.00329.86 O ATOM 418 CB SER A 234 87.550 -8.560 -19.865 1.00258.98 C ATOM 419 OG SER A 234 87.106 -7.242 -20.168 1.00308.30 O ATOM 0 H SER A 234 89.719 -7.378 -19.280 1.00182.74 H new ATOM 0 HA SER A 234 89.134 -9.916 -20.518 1.00237.73 H new ATOM 0 HB2 SER A 234 86.790 -9.285 -20.157 1.00258.98 H new ATOM 0 HB3 SER A 234 87.695 -8.666 -18.790 1.00258.98 H new ATOM 0 HG SER A 234 87.869 -6.627 -20.149 1.00308.30 H new ATOM 425 N LEU A 235 89.205 -7.313 -22.511 1.00257.17 N ATOM 426 CA LEU A 235 89.169 -6.799 -23.940 1.00322.82 C ATOM 427 C LEU A 235 90.384 -7.370 -24.731 1.00316.79 C ATOM 428 O LEU A 235 90.304 -7.571 -25.931 1.00383.96 O ATOM 429 CB LEU A 235 89.197 -5.211 -23.889 1.00355.44 C ATOM 430 CG LEU A 235 89.196 -4.478 -25.335 1.00444.88 C ATOM 431 CD1 LEU A 235 87.937 -4.874 -26.216 1.00627.77 C ATOM 432 CD2 LEU A 235 89.282 -2.892 -25.155 1.00647.43 C ATOM 0 H LEU A 235 89.613 -6.648 -21.854 1.00257.17 H new ATOM 0 HA LEU A 235 88.264 -7.124 -24.453 1.00322.82 H new ATOM 0 HB2 LEU A 235 88.332 -4.866 -23.323 1.00355.44 H new ATOM 0 HB3 LEU A 235 90.084 -4.896 -23.340 1.00355.44 H new ATOM 0 HG LEU A 235 90.079 -4.825 -25.872 1.00444.88 H new ATOM 0 HD11 LEU A 235 87.985 -4.356 -27.174 1.00627.77 H new ATOM 0 HD12 LEU A 235 87.936 -5.951 -26.386 1.00627.77 H new ATOM 0 HD13 LEU A 235 87.024 -4.588 -25.695 1.00627.77 H new ATOM 0 HD21 LEU A 235 89.280 -2.414 -26.135 1.00647.43 H new ATOM 0 HD22 LEU A 235 88.424 -2.544 -24.580 1.00647.43 H new ATOM 0 HD23 LEU A 235 90.201 -2.635 -24.627 1.00647.43 H new ATOM 444 N LEU A 236 91.530 -7.562 -24.016 1.00262.84 N ATOM 445 CA LEU A 236 92.860 -8.058 -24.612 1.00286.40 C ATOM 446 C LEU A 236 93.009 -9.608 -24.490 1.00304.05 C ATOM 447 O LEU A 236 93.889 -10.183 -25.105 1.00354.94 O ATOM 448 CB LEU A 236 94.022 -7.288 -23.841 1.00271.05 C ATOM 449 CG LEU A 236 95.525 -7.547 -24.386 1.00421.58 C ATOM 450 CD1 LEU A 236 95.721 -7.050 -25.880 1.00634.42 C ATOM 451 CD2 LEU A 236 96.597 -6.845 -23.425 1.00658.92 C ATOM 0 H LEU A 236 91.584 -7.385 -23.013 1.00262.84 H new ATOM 0 HA LEU A 236 92.904 -7.848 -25.681 1.00286.40 H new ATOM 0 HB2 LEU A 236 93.818 -6.218 -23.890 1.00271.05 H new ATOM 0 HB3 LEU A 236 93.984 -7.572 -22.789 1.00271.05 H new ATOM 0 HG LEU A 236 95.685 -8.625 -24.380 1.00421.58 H new ATOM 0 HD11 LEU A 236 96.745 -7.247 -26.197 1.00634.42 H new ATOM 0 HD12 LEU A 236 95.030 -7.582 -26.534 1.00634.42 H new ATOM 0 HD13 LEU A 236 95.523 -5.980 -25.936 1.00634.42 H new ATOM 0 HD21 LEU A 236 97.602 -7.029 -23.805 1.00658.92 H new ATOM 0 HD22 LEU A 236 96.411 -5.771 -23.395 1.00658.92 H new ATOM 0 HD23 LEU A 236 96.509 -7.257 -22.420 1.00658.92 H new ATOM 652 N SER B 212 74.776 9.755 4.708 1.00182.42 N ATOM 653 CA SER B 212 76.103 9.964 5.427 1.00145.65 C ATOM 654 C SER B 212 76.768 8.606 5.799 1.00102.64 C ATOM 655 O SER B 212 77.979 8.503 5.871 1.00 76.61 O ATOM 656 CB SER B 212 75.843 10.840 6.697 1.00178.04 C ATOM 657 OG SER B 212 75.326 12.100 6.283 1.00322.12 O ATOM 0 HA SER B 212 76.800 10.478 4.765 1.00145.65 H new ATOM 0 HB2 SER B 212 75.137 10.342 7.362 1.00178.04 H new ATOM 0 HB3 SER B 212 76.768 10.977 7.258 1.00178.04 H new ATOM 0 HG SER B 212 74.802 11.985 5.463 1.00322.12 H new ATOM 663 N GLY B 213 75.916 7.586 6.022 1.00118.70 N ATOM 664 CA GLY B 213 76.361 6.183 6.388 1.00103.41 C ATOM 665 C GLY B 213 76.968 5.452 5.177 1.00 74.58 C ATOM 666 O GLY B 213 77.898 4.668 5.317 1.00 67.93 O ATOM 0 H GLY B 213 74.903 7.687 5.960 1.00118.70 H new ATOM 0 HA2 GLY B 213 77.096 6.231 7.192 1.00103.41 H new ATOM 0 HA3 GLY B 213 75.510 5.617 6.767 1.00103.41 H new ATOM 670 N ILE B 214 76.396 5.719 3.971 1.00 68.61 N ATOM 671 CA ILE B 214 76.846 5.080 2.658 1.00 55.31 C ATOM 672 C ILE B 214 78.291 5.546 2.300 1.00 39.69 C ATOM 673 O ILE B 214 79.078 4.776 1.761 1.00 36.04 O ATOM 674 CB ILE B 214 75.788 5.437 1.503 1.00 68.98 C ATOM 675 CG1 ILE B 214 74.280 5.047 1.958 1.00205.18 C ATOM 676 CG2 ILE B 214 76.142 4.735 0.110 1.00147.02 C ATOM 677 CD1 ILE B 214 74.068 3.538 2.305 1.00351.56 C ATOM 0 H ILE B 214 75.619 6.371 3.859 1.00 68.61 H new ATOM 0 HA ILE B 214 76.877 3.995 2.761 1.00 55.31 H new ATOM 0 HB ILE B 214 75.847 6.515 1.349 1.00 68.98 H new ATOM 0 HG12 ILE B 214 74.012 5.646 2.828 1.00205.18 H new ATOM 0 HG13 ILE B 214 73.592 5.321 1.158 1.00205.18 H new ATOM 0 HG21 ILE B 214 75.396 5.009 -0.636 1.00147.02 H new ATOM 0 HG22 ILE B 214 77.126 5.064 -0.223 1.00147.02 H new ATOM 0 HG23 ILE B 214 76.146 3.653 0.239 1.00147.02 H new ATOM 0 HD11 ILE B 214 73.031 3.374 2.598 1.00351.56 H new ATOM 0 HD12 ILE B 214 74.299 2.928 1.432 1.00351.56 H new ATOM 0 HD13 ILE B 214 74.726 3.258 3.128 1.00351.56 H new ATOM 689 N ILE B 215 78.607 6.837 2.599 1.00 40.69 N ATOM 690 CA ILE B 215 79.975 7.455 2.299 1.00 36.00 C ATOM 691 C ILE B 215 81.071 6.759 3.163 1.00 27.70 C ATOM 692 O ILE B 215 82.158 6.512 2.685 1.00 25.51 O ATOM 693 CB ILE B 215 79.936 9.051 2.534 1.00 55.56 C ATOM 694 CG1 ILE B 215 78.743 9.705 1.652 1.00197.30 C ATOM 695 CG2 ILE B 215 81.352 9.731 2.167 1.00224.98 C ATOM 696 CD1 ILE B 215 78.552 11.235 1.894 1.00318.28 C ATOM 0 H ILE B 215 77.954 7.483 3.044 1.00 40.69 H new ATOM 0 HA ILE B 215 80.227 7.292 1.251 1.00 36.00 H new ATOM 0 HB ILE B 215 79.745 9.240 3.590 1.00 55.56 H new ATOM 0 HG12 ILE B 215 78.950 9.536 0.595 1.00197.30 H new ATOM 0 HG13 ILE B 215 77.810 9.190 1.881 1.00197.30 H new ATOM 0 HG21 ILE B 215 81.294 10.806 2.336 1.00224.98 H new ATOM 0 HG22 ILE B 215 82.134 9.307 2.797 1.00224.98 H new ATOM 0 HG23 ILE B 215 81.587 9.540 1.120 1.00224.98 H new ATOM 0 HD11 ILE B 215 77.737 11.603 1.270 1.00318.28 H new ATOM 0 HD12 ILE B 215 78.314 11.410 2.943 1.00318.28 H new ATOM 0 HD13 ILE B 215 79.471 11.761 1.638 1.00318.28 H new ATOM 708 N ILE B 216 80.755 6.476 4.451 1.00 29.59 N ATOM 709 CA ILE B 216 81.715 5.788 5.422 1.00 29.59 C ATOM 710 C ILE B 216 81.898 4.296 4.997 1.00 26.23 C ATOM 711 O ILE B 216 82.969 3.726 5.138 1.00 25.86 O ATOM 712 CB ILE B 216 81.146 5.935 6.921 1.00 41.58 C ATOM 713 CG1 ILE B 216 80.996 7.507 7.299 1.00 60.88 C ATOM 714 CG2 ILE B 216 82.089 5.189 7.992 1.00 44.43 C ATOM 715 CD1 ILE B 216 80.259 7.753 8.650 1.00156.48 C ATOM 0 H ILE B 216 79.851 6.703 4.864 1.00 29.59 H new ATOM 0 HA ILE B 216 82.698 6.259 5.395 1.00 29.59 H new ATOM 0 HB ILE B 216 80.167 5.457 6.959 1.00 41.58 H new ATOM 0 HG12 ILE B 216 81.987 7.957 7.348 1.00 60.88 H new ATOM 0 HG13 ILE B 216 80.454 8.015 6.501 1.00 60.88 H new ATOM 0 HG21 ILE B 216 81.672 5.311 8.992 1.00 44.43 H new ATOM 0 HG22 ILE B 216 82.146 4.128 7.750 1.00 44.43 H new ATOM 0 HG23 ILE B 216 83.089 5.623 7.961 1.00 44.43 H new ATOM 0 HD11 ILE B 216 80.194 8.824 8.839 1.00156.48 H new ATOM 0 HD12 ILE B 216 79.255 7.332 8.598 1.00156.48 H new ATOM 0 HD13 ILE B 216 80.812 7.274 9.458 1.00156.48 H new ATOM 727 N TYR B 217 80.783 3.681 4.542 1.00 29.64 N ATOM 728 CA TYR B 217 80.723 2.208 4.143 1.00 33.33 C ATOM 729 C TYR B 217 81.661 1.848 2.950 1.00 24.43 C ATOM 730 O TYR B 217 82.362 0.840 3.004 1.00 26.58 O ATOM 731 CB TYR B 217 79.217 1.842 3.808 1.00 48.06 C ATOM 732 CG TYR B 217 79.023 0.277 3.581 1.00165.23 C ATOM 733 CD1 TYR B 217 78.650 -0.589 4.662 1.00399.67 C ATOM 734 CD2 TYR B 217 79.247 -0.309 2.293 1.00425.45 C ATOM 735 CE1 TYR B 217 78.508 -1.979 4.447 1.00781.72 C ATOM 736 CE2 TYR B 217 79.093 -1.703 2.106 1.00796.27 C ATOM 737 CZ TYR B 217 78.727 -2.525 3.178 1.00924.63 C ATOM 738 OH TYR B 217 78.586 -3.887 2.983 1.00999.99 O ATOM 0 H TYR B 217 79.892 4.165 4.432 1.00 29.64 H new ATOM 0 HA TYR B 217 81.086 1.617 4.984 1.00 33.33 H new ATOM 0 HB2 TYR B 217 78.573 2.173 4.623 1.00 48.06 H new ATOM 0 HB3 TYR B 217 78.903 2.380 2.914 1.00 48.06 H new ATOM 0 HD1 TYR B 217 78.477 -0.177 5.645 1.00399.67 H new ATOM 0 HD2 TYR B 217 79.535 0.316 1.461 1.00425.45 H new ATOM 0 HE1 TYR B 217 78.229 -2.623 5.268 1.00781.72 H new ATOM 0 HE2 TYR B 217 79.259 -2.135 1.130 1.00796.27 H new ATOM 0 HH TYR B 217 78.772 -4.104 2.046 1.00999.99 H new ATOM 748 N VAL B 218 81.635 2.660 1.853 1.00 21.10 N ATOM 749 CA VAL B 218 82.483 2.372 0.606 1.00 20.78 C ATOM 750 C VAL B 218 84.006 2.334 0.954 1.00 15.66 C ATOM 751 O VAL B 218 84.768 1.651 0.288 1.00 18.37 O ATOM 752 CB VAL B 218 82.157 3.425 -0.568 1.00 32.11 C ATOM 753 CG1 VAL B 218 80.692 3.173 -1.187 1.00221.17 C ATOM 754 CG2 VAL B 218 82.266 4.913 -0.013 1.00100.82 C ATOM 0 H VAL B 218 81.061 3.501 1.784 1.00 21.10 H new ATOM 0 HA VAL B 218 82.217 1.382 0.235 1.00 20.78 H new ATOM 0 HB VAL B 218 82.889 3.282 -1.363 1.00 32.11 H new ATOM 0 HG11 VAL B 218 80.501 3.899 -1.977 1.00221.17 H new ATOM 0 HG12 VAL B 218 80.640 2.166 -1.600 1.00221.17 H new ATOM 0 HG13 VAL B 218 79.942 3.283 -0.404 1.00221.17 H new ATOM 0 HG21 VAL B 218 82.044 5.617 -0.815 1.00100.82 H new ATOM 0 HG22 VAL B 218 81.553 5.051 0.800 1.00100.82 H new ATOM 0 HG23 VAL B 218 83.276 5.090 0.356 1.00100.82 H new ATOM 764 N THR B 219 84.425 3.080 2.017 1.00 13.11 N ATOM 765 CA THR B 219 85.889 3.128 2.477 1.00 13.65 C ATOM 766 C THR B 219 86.328 1.750 3.017 1.00 16.51 C ATOM 767 O THR B 219 87.379 1.237 2.670 1.00 19.53 O ATOM 768 CB THR B 219 86.109 4.219 3.623 1.00 15.35 C ATOM 769 OG1 THR B 219 85.603 3.725 4.869 1.00 21.87 O ATOM 770 CG2 THR B 219 85.372 5.565 3.316 1.00 16.88 C ATOM 0 H THR B 219 83.798 3.656 2.579 1.00 13.11 H new ATOM 0 HA THR B 219 86.490 3.400 1.609 1.00 13.65 H new ATOM 0 HB THR B 219 87.182 4.406 3.672 1.00 15.35 H new ATOM 0 HG1 THR B 219 84.635 3.589 4.798 1.00 21.87 H new ATOM 0 HG21 THR B 219 85.554 6.272 4.125 1.00 16.88 H new ATOM 0 HG22 THR B 219 85.747 5.980 2.381 1.00 16.88 H new ATOM 0 HG23 THR B 219 84.301 5.382 3.228 1.00 16.88 H new ATOM 778 N VAL B 220 85.476 1.177 3.904 1.00 18.83 N ATOM 779 CA VAL B 220 85.732 -0.169 4.562 1.00 25.95 C ATOM 780 C VAL B 220 85.643 -1.286 3.485 1.00 27.40 C ATOM 781 O VAL B 220 86.544 -2.099 3.351 1.00 34.38 O ATOM 782 CB VAL B 220 84.675 -0.388 5.753 1.00 32.97 C ATOM 783 CG1 VAL B 220 84.928 -1.774 6.528 1.00157.05 C ATOM 784 CG2 VAL B 220 84.745 0.840 6.787 1.00176.34 C ATOM 0 H VAL B 220 84.600 1.612 4.193 1.00 18.83 H new ATOM 0 HA VAL B 220 86.731 -0.204 4.997 1.00 25.95 H new ATOM 0 HB VAL B 220 83.681 -0.433 5.308 1.00 32.97 H new ATOM 0 HG11 VAL B 220 84.193 -1.884 7.325 1.00157.05 H new ATOM 0 HG12 VAL B 220 84.832 -2.605 5.829 1.00157.05 H new ATOM 0 HG13 VAL B 220 85.930 -1.774 6.956 1.00157.05 H new ATOM 0 HG21 VAL B 220 84.025 0.681 7.590 1.00176.34 H new ATOM 0 HG22 VAL B 220 85.749 0.905 7.207 1.00176.34 H new ATOM 0 HG23 VAL B 220 84.509 1.768 6.266 1.00176.34 H new ATOM 794 N ALA B 221 84.524 -1.291 2.713 1.00 26.04 N ATOM 795 CA ALA B 221 84.279 -2.322 1.617 1.00 31.29 C ATOM 796 C ALA B 221 85.467 -2.375 0.603 1.00 27.76 C ATOM 797 O ALA B 221 85.792 -3.435 0.085 1.00 32.74 O ATOM 798 CB ALA B 221 82.925 -1.994 0.886 1.00 36.92 C ATOM 0 H ALA B 221 83.772 -0.609 2.812 1.00 26.04 H new ATOM 0 HA ALA B 221 84.209 -3.309 2.075 1.00 31.29 H new ATOM 0 HB1 ALA B 221 82.747 -2.730 0.102 1.00 36.92 H new ATOM 0 HB2 ALA B 221 82.106 -2.025 1.605 1.00 36.92 H new ATOM 0 HB3 ALA B 221 82.982 -0.999 0.444 1.00 36.92 H new ATOM 804 N ALA B 222 86.100 -1.190 0.335 1.00 22.80 N ATOM 805 CA ALA B 222 87.272 -1.083 -0.632 1.00 23.13 C ATOM 806 C ALA B 222 88.498 -1.897 -0.122 1.00 24.56 C ATOM 807 O ALA B 222 89.127 -2.607 -0.884 1.00 26.88 O ATOM 808 CB ALA B 222 87.648 0.435 -0.829 1.00 24.38 C ATOM 0 H ALA B 222 85.833 -0.302 0.761 1.00 22.80 H new ATOM 0 HA ALA B 222 86.978 -1.507 -1.592 1.00 23.13 H new ATOM 0 HB1 ALA B 222 88.487 0.515 -1.521 1.00 24.38 H new ATOM 0 HB2 ALA B 222 86.791 0.973 -1.234 1.00 24.38 H new ATOM 0 HB3 ALA B 222 87.927 0.868 0.131 1.00 24.38 H new ATOM 814 N VAL B 223 88.817 -1.767 1.192 1.00 25.83 N ATOM 815 CA VAL B 223 89.994 -2.501 1.838 1.00 31.02 C ATOM 816 C VAL B 223 89.677 -4.021 1.916 1.00 33.07 C ATOM 817 O VAL B 223 90.502 -4.850 1.564 1.00 35.91 O ATOM 818 CB VAL B 223 90.284 -1.862 3.281 1.00 37.12 C ATOM 819 CG1 VAL B 223 91.498 -2.598 4.036 1.00 93.61 C ATOM 820 CG2 VAL B 223 90.607 -0.296 3.129 1.00 61.16 C ATOM 0 H VAL B 223 88.297 -1.174 1.838 1.00 25.83 H new ATOM 0 HA VAL B 223 90.896 -2.387 1.237 1.00 31.02 H new ATOM 0 HB VAL B 223 89.388 -1.999 3.887 1.00 37.12 H new ATOM 0 HG11 VAL B 223 91.658 -2.132 5.008 1.00 93.61 H new ATOM 0 HG12 VAL B 223 91.255 -3.652 4.174 1.00 93.61 H new ATOM 0 HG13 VAL B 223 92.405 -2.510 3.438 1.00 93.61 H new ATOM 0 HG21 VAL B 223 90.803 0.132 4.112 1.00 61.16 H new ATOM 0 HG22 VAL B 223 91.484 -0.165 2.495 1.00 61.16 H new ATOM 0 HG23 VAL B 223 89.754 0.209 2.677 1.00 61.16 H new ATOM 830 N VAL B 224 88.449 -4.360 2.386 1.00 35.24 N ATOM 831 CA VAL B 224 87.976 -5.805 2.529 1.00 40.80 C ATOM 832 C VAL B 224 88.003 -6.520 1.143 1.00 37.92 C ATOM 833 O VAL B 224 88.270 -7.708 1.077 1.00 41.35 O ATOM 834 CB VAL B 224 86.521 -5.794 3.203 1.00 54.55 C ATOM 835 CG1 VAL B 224 85.836 -7.244 3.246 1.00229.62 C ATOM 836 CG2 VAL B 224 86.606 -5.190 4.694 1.00193.63 C ATOM 0 H VAL B 224 87.755 -3.672 2.677 1.00 35.24 H new ATOM 0 HA VAL B 224 88.644 -6.374 3.176 1.00 40.80 H new ATOM 0 HB VAL B 224 85.892 -5.162 2.576 1.00 54.55 H new ATOM 0 HG11 VAL B 224 84.854 -7.169 3.714 1.00229.62 H new ATOM 0 HG12 VAL B 224 85.726 -7.625 2.231 1.00229.62 H new ATOM 0 HG13 VAL B 224 86.462 -7.925 3.823 1.00229.62 H new ATOM 0 HG21 VAL B 224 85.613 -5.187 5.143 1.00193.63 H new ATOM 0 HG22 VAL B 224 87.275 -5.804 5.298 1.00193.63 H new ATOM 0 HG23 VAL B 224 86.988 -4.170 4.652 1.00193.63 H new ATOM 846 N LEU B 225 87.718 -5.767 0.043 1.00 36.07 N ATOM 847 CA LEU B 225 87.702 -6.344 -1.375 1.00 38.18 C ATOM 848 C LEU B 225 89.132 -6.809 -1.796 1.00 33.34 C ATOM 849 O LEU B 225 89.287 -7.843 -2.434 1.00 37.57 O ATOM 850 CB LEU B 225 87.107 -5.254 -2.359 1.00 47.31 C ATOM 851 CG LEU B 225 87.031 -5.699 -3.917 1.00 35.25 C ATOM 852 CD1 LEU B 225 86.198 -7.033 -4.129 1.00164.04 C ATOM 853 CD2 LEU B 225 86.426 -4.514 -4.803 1.00 60.75 C ATOM 0 H LEU B 225 87.497 -4.772 0.086 1.00 36.07 H new ATOM 0 HA LEU B 225 87.067 -7.229 -1.416 1.00 38.18 H new ATOM 0 HB2 LEU B 225 86.104 -4.993 -2.023 1.00 47.31 H new ATOM 0 HB3 LEU B 225 87.713 -4.351 -2.285 1.00 47.31 H new ATOM 0 HG LEU B 225 88.051 -5.907 -4.242 1.00 35.25 H new ATOM 0 HD11 LEU B 225 86.179 -7.285 -5.189 1.00164.04 H new ATOM 0 HD12 LEU B 225 86.664 -7.845 -3.571 1.00164.04 H new ATOM 0 HD13 LEU B 225 85.178 -6.886 -3.773 1.00164.04 H new ATOM 0 HD21 LEU B 225 86.381 -4.826 -5.846 1.00 60.75 H new ATOM 0 HD22 LEU B 225 85.422 -4.273 -4.452 1.00 60.75 H new ATOM 0 HD23 LEU B 225 87.062 -3.633 -4.715 1.00 60.75 H new ATOM 865 N ILE B 226 90.169 -6.013 -1.413 1.00 27.34 N ATOM 866 CA ILE B 226 91.634 -6.328 -1.734 1.00 26.52 C ATOM 867 C ILE B 226 92.085 -7.563 -0.894 1.00 27.13 C ATOM 868 O ILE B 226 92.706 -8.463 -1.405 1.00 30.66 O ATOM 869 CB ILE B 226 92.537 -5.027 -1.437 1.00 25.51 C ATOM 870 CG1 ILE B 226 92.044 -3.791 -2.364 1.00 92.23 C ATOM 871 CG2 ILE B 226 94.102 -5.316 -1.684 1.00110.97 C ATOM 872 CD1 ILE B 226 92.700 -2.430 -1.978 1.00134.42 C ATOM 0 H ILE B 226 90.043 -5.150 -0.885 1.00 27.34 H new ATOM 0 HA ILE B 226 91.754 -6.578 -2.788 1.00 26.52 H new ATOM 0 HB ILE B 226 92.413 -4.767 -0.386 1.00 25.51 H new ATOM 0 HG12 ILE B 226 92.273 -4.014 -3.406 1.00 92.23 H new ATOM 0 HG13 ILE B 226 90.961 -3.699 -2.288 1.00 92.23 H new ATOM 0 HG21 ILE B 226 94.676 -4.414 -1.473 1.00110.97 H new ATOM 0 HG22 ILE B 226 94.432 -6.119 -1.025 1.00110.97 H new ATOM 0 HG23 ILE B 226 94.258 -5.611 -2.722 1.00110.97 H new ATOM 0 HD11 ILE B 226 92.327 -1.646 -2.637 1.00134.42 H new ATOM 0 HD12 ILE B 226 92.450 -2.185 -0.946 1.00134.42 H new ATOM 0 HD13 ILE B 226 93.782 -2.506 -2.081 1.00134.42 H new ATOM 884 N VAL B 227 91.765 -7.549 0.417 1.00 28.27 N ATOM 885 CA VAL B 227 92.135 -8.657 1.404 1.00 33.93 C ATOM 886 C VAL B 227 91.395 -9.986 1.068 1.00 37.61 C ATOM 887 O VAL B 227 91.940 -11.057 1.278 1.00 42.78 O ATOM 888 CB VAL B 227 91.843 -8.139 2.894 1.00 42.77 C ATOM 889 CG1 VAL B 227 92.103 -9.270 4.006 1.00189.86 C ATOM 890 CG2 VAL B 227 92.752 -6.852 3.216 1.00111.89 C ATOM 0 H VAL B 227 91.245 -6.785 0.848 1.00 28.27 H new ATOM 0 HA VAL B 227 93.198 -8.887 1.324 1.00 33.93 H new ATOM 0 HB VAL B 227 90.786 -7.876 2.937 1.00 42.77 H new ATOM 0 HG11 VAL B 227 91.890 -8.864 4.995 1.00189.86 H new ATOM 0 HG12 VAL B 227 91.452 -10.123 3.816 1.00189.86 H new ATOM 0 HG13 VAL B 227 93.144 -9.591 3.962 1.00189.86 H new ATOM 0 HG21 VAL B 227 92.548 -6.507 4.229 1.00111.89 H new ATOM 0 HG22 VAL B 227 93.805 -7.119 3.129 1.00111.89 H new ATOM 0 HG23 VAL B 227 92.520 -6.056 2.508 1.00111.89 H new ATOM 900 N ALA B 228 90.125 -9.895 0.610 1.00 38.31 N ATOM 901 CA ALA B 228 89.255 -11.121 0.328 1.00 44.31 C ATOM 902 C ALA B 228 89.897 -12.089 -0.716 1.00 42.97 C ATOM 903 O ALA B 228 89.679 -13.292 -0.633 1.00 45.02 O ATOM 904 CB ALA B 228 87.836 -10.640 -0.165 1.00 50.32 C ATOM 0 H ALA B 228 89.660 -9.007 0.421 1.00 38.31 H new ATOM 0 HA ALA B 228 89.162 -11.687 1.255 1.00 44.31 H new ATOM 0 HB1 ALA B 228 87.208 -11.508 -0.369 1.00 50.32 H new ATOM 0 HB2 ALA B 228 87.370 -10.029 0.608 1.00 50.32 H new ATOM 0 HB3 ALA B 228 87.947 -10.051 -1.075 1.00 50.32 H new ATOM 910 N VAL B 229 90.683 -11.559 -1.697 1.00 45.74 N ATOM 911 CA VAL B 229 91.355 -12.435 -2.768 1.00 48.42 C ATOM 912 C VAL B 229 92.452 -13.322 -2.107 1.00 44.51 C ATOM 913 O VAL B 229 92.556 -14.505 -2.390 1.00 47.71 O ATOM 914 CB VAL B 229 91.933 -11.556 -4.006 1.00 71.32 C ATOM 915 CG1 VAL B 229 90.880 -10.420 -4.408 1.00 75.18 C ATOM 916 CG2 VAL B 229 93.378 -10.909 -3.704 1.00179.11 C ATOM 0 H VAL B 229 90.878 -10.562 -1.789 1.00 45.74 H new ATOM 0 HA VAL B 229 90.600 -13.091 -3.202 1.00 48.42 H new ATOM 0 HB VAL B 229 92.074 -12.240 -4.843 1.00 71.32 H new ATOM 0 HG11 VAL B 229 91.275 -9.835 -5.239 1.00 75.18 H new ATOM 0 HG12 VAL B 229 89.940 -10.884 -4.706 1.00 75.18 H new ATOM 0 HG13 VAL B 229 90.707 -9.766 -3.554 1.00 75.18 H new ATOM 0 HG21 VAL B 229 93.708 -10.335 -4.570 1.00179.11 H new ATOM 0 HG22 VAL B 229 93.308 -10.251 -2.838 1.00179.11 H new ATOM 0 HG23 VAL B 229 94.097 -11.703 -3.500 1.00179.11 H new ATOM 926 N PHE B 230 93.274 -12.700 -1.206 1.00 51.51 N ATOM 927 CA PHE B 230 94.400 -13.426 -0.474 1.00 69.98 C ATOM 928 C PHE B 230 93.811 -14.499 0.490 1.00 64.55 C ATOM 929 O PHE B 230 94.308 -15.614 0.552 1.00 85.92 O ATOM 930 CB PHE B 230 95.282 -12.371 0.312 1.00 99.64 C ATOM 931 CG PHE B 230 96.104 -11.464 -0.705 1.00 86.09 C ATOM 932 CD1 PHE B 230 97.255 -12.005 -1.365 1.00239.47 C ATOM 933 CD2 PHE B 230 95.727 -10.114 -0.998 1.00189.40 C ATOM 934 CE1 PHE B 230 97.996 -11.219 -2.278 1.00336.07 C ATOM 935 CE2 PHE B 230 96.478 -9.340 -1.914 1.00261.41 C ATOM 936 CZ PHE B 230 97.609 -9.891 -2.552 1.00257.90 C ATOM 0 H PHE B 230 93.193 -11.713 -0.962 1.00 51.51 H new ATOM 0 HA PHE B 230 95.035 -13.940 -1.196 1.00 69.98 H new ATOM 0 HB2 PHE B 230 94.642 -11.744 0.933 1.00 99.64 H new ATOM 0 HB3 PHE B 230 95.968 -12.889 0.983 1.00 99.64 H new ATOM 0 HD1 PHE B 230 97.559 -13.021 -1.164 1.00239.47 H new ATOM 0 HD2 PHE B 230 94.862 -9.683 -0.516 1.00189.40 H new ATOM 0 HE1 PHE B 230 98.863 -11.638 -2.768 1.00336.07 H new ATOM 0 HE2 PHE B 230 96.184 -8.323 -2.126 1.00261.41 H new ATOM 0 HZ PHE B 230 98.179 -9.296 -3.250 1.00257.90 H new ATOM 946 N VAL B 231 92.720 -14.141 1.222 1.00 52.59 N ATOM 947 CA VAL B 231 92.025 -15.103 2.190 1.00 70.39 C ATOM 948 C VAL B 231 91.400 -16.289 1.388 1.00 78.87 C ATOM 949 O VAL B 231 91.426 -17.418 1.847 1.00107.80 O ATOM 950 CB VAL B 231 90.941 -14.299 3.057 1.00 82.05 C ATOM 951 CG1 VAL B 231 90.069 -15.265 4.002 1.00298.70 C ATOM 952 CG2 VAL B 231 91.675 -13.186 3.958 1.00 88.68 C ATOM 0 H VAL B 231 92.292 -13.216 1.178 1.00 52.59 H new ATOM 0 HA VAL B 231 92.744 -15.531 2.889 1.00 70.39 H new ATOM 0 HB VAL B 231 90.258 -13.824 2.353 1.00 82.05 H new ATOM 0 HG11 VAL B 231 89.351 -14.670 4.567 1.00298.70 H new ATOM 0 HG12 VAL B 231 89.536 -15.990 3.388 1.00298.70 H new ATOM 0 HG13 VAL B 231 90.728 -15.790 4.693 1.00298.70 H new ATOM 0 HG21 VAL B 231 90.932 -12.644 4.544 1.00 88.68 H new ATOM 0 HG22 VAL B 231 92.384 -13.671 4.630 1.00 88.68 H new ATOM 0 HG23 VAL B 231 92.207 -12.488 3.312 1.00 88.68 H new ATOM 962 N CYS B 232 90.828 -15.995 0.190 1.00 64.96 N ATOM 963 CA CYS B 232 90.167 -17.049 -0.698 1.00 82.85 C ATOM 964 C CYS B 232 91.217 -18.060 -1.262 1.00 89.26 C ATOM 965 O CYS B 232 91.015 -19.268 -1.214 1.00120.17 O ATOM 966 CB CYS B 232 89.410 -16.309 -1.864 1.00 80.92 C ATOM 967 SG CYS B 232 88.480 -17.475 -2.913 1.00272.98 S ATOM 0 H CYS B 232 90.800 -15.053 -0.200 1.00 64.96 H new ATOM 0 HA CYS B 232 89.459 -17.631 -0.107 1.00 82.85 H new ATOM 0 HB2 CYS B 232 88.725 -15.573 -1.443 1.00 80.92 H new ATOM 0 HB3 CYS B 232 90.129 -15.763 -2.475 1.00 80.92 H new ATOM 0 HG CYS B 232 87.872 -16.820 -3.857 1.00272.98 H new ATOM 973 N LYS B 233 92.331 -17.519 -1.816 1.00 72.55 N ATOM 974 CA LYS B 233 93.454 -18.347 -2.435 1.00 86.52 C ATOM 975 C LYS B 233 94.258 -19.106 -1.342 1.00115.37 C ATOM 976 O LYS B 233 94.616 -20.262 -1.524 1.00144.96 O ATOM 977 CB LYS B 233 94.396 -17.379 -3.277 1.00 81.63 C ATOM 978 CG LYS B 233 93.653 -16.785 -4.569 1.00222.97 C ATOM 979 CD LYS B 233 94.578 -15.750 -5.365 1.00254.16 C ATOM 980 CE LYS B 233 93.860 -15.161 -6.640 1.00555.74 C ATOM 981 NZ LYS B 233 94.785 -14.208 -7.318 1.00892.98 N ATOM 0 H LYS B 233 92.497 -16.513 -1.858 1.00 72.55 H new ATOM 0 HA LYS B 233 93.028 -19.102 -3.096 1.00 86.52 H new ATOM 0 HB2 LYS B 233 94.731 -16.558 -2.643 1.00 81.63 H new ATOM 0 HB3 LYS B 233 95.287 -17.923 -3.590 1.00 81.63 H new ATOM 0 HG2 LYS B 233 93.368 -17.602 -5.232 1.00222.97 H new ATOM 0 HG3 LYS B 233 92.733 -16.288 -4.262 1.00222.97 H new ATOM 0 HD2 LYS B 233 94.860 -14.933 -4.700 1.00254.16 H new ATOM 0 HD3 LYS B 233 95.499 -16.248 -5.667 1.00254.16 H new ATOM 0 HE2 LYS B 233 93.582 -15.965 -7.321 1.00555.74 H new ATOM 0 HE3 LYS B 233 92.939 -14.653 -6.353 1.00555.74 H new ATOM 0 HZ1 LYS B 233 94.321 -13.814 -8.161 1.00892.98 H new ATOM 0 HZ2 LYS B 233 95.029 -13.437 -6.664 1.00892.98 H new ATOM 0 HZ3 LYS B 233 95.651 -14.708 -7.602 1.00892.98 H new ATOM 995 N SER B 234 94.553 -18.425 -0.207 1.00123.89 N ATOM 996 CA SER B 234 95.358 -19.041 0.936 1.00173.81 C ATOM 997 C SER B 234 94.609 -20.239 1.570 1.00205.47 C ATOM 998 O SER B 234 95.204 -20.976 2.325 1.00267.84 O ATOM 999 CB SER B 234 95.655 -17.953 2.024 1.00190.40 C ATOM 1000 OG SER B 234 94.429 -17.521 2.597 1.00295.12 O ATOM 0 H SER B 234 94.262 -17.462 -0.037 1.00123.89 H new ATOM 0 HA SER B 234 96.299 -19.412 0.529 1.00173.81 H new ATOM 0 HB2 SER B 234 96.307 -18.361 2.796 1.00190.40 H new ATOM 0 HB3 SER B 234 96.180 -17.108 1.578 1.00190.40 H new ATOM 0 HG SER B 234 93.989 -16.890 1.990 1.00295.12 H new ATOM 1006 N LEU B 235 93.291 -20.396 1.248 1.00188.36 N ATOM 1007 CA LEU B 235 92.408 -21.532 1.794 1.00240.80 C ATOM 1008 C LEU B 235 92.469 -22.748 0.813 1.00239.40 C ATOM 1009 O LEU B 235 92.471 -23.898 1.227 1.00280.74 O ATOM 1010 CB LEU B 235 90.902 -20.982 1.950 1.00268.29 C ATOM 1011 CG LEU B 235 89.985 -21.737 3.065 1.00470.31 C ATOM 1012 CD1 LEU B 235 90.015 -23.308 2.909 1.00617.01 C ATOM 1013 CD2 LEU B 235 90.354 -21.298 4.558 1.00751.54 C ATOM 0 H LEU B 235 92.796 -19.765 0.617 1.00188.36 H new ATOM 0 HA LEU B 235 92.763 -21.865 2.769 1.00240.80 H new ATOM 0 HB2 LEU B 235 90.946 -19.922 2.200 1.00268.29 H new ATOM 0 HB3 LEU B 235 90.404 -21.061 0.983 1.00268.29 H new ATOM 0 HG LEU B 235 88.962 -21.413 2.876 1.00470.31 H new ATOM 0 HD11 LEU B 235 89.388 -23.762 3.676 1.00617.01 H new ATOM 0 HD12 LEU B 235 89.639 -23.583 1.924 1.00617.01 H new ATOM 0 HD13 LEU B 235 91.039 -23.665 3.019 1.00617.01 H new ATOM 0 HD21 LEU B 235 89.714 -21.830 5.262 1.00751.54 H new ATOM 0 HD22 LEU B 235 91.397 -21.540 4.761 1.00751.54 H new ATOM 0 HD23 LEU B 235 90.202 -20.224 4.670 1.00751.54 H new ATOM 1025 N LEU B 236 92.503 -22.447 -0.515 1.00206.29 N ATOM 1026 CA LEU B 236 92.533 -23.509 -1.618 1.00219.83 C ATOM 1027 C LEU B 236 93.973 -24.054 -1.817 1.00226.40 C ATOM 1028 O LEU B 236 94.145 -25.192 -2.234 1.00263.04 O ATOM 1029 CB LEU B 236 91.961 -22.842 -2.942 1.00210.39 C ATOM 1030 CG LEU B 236 91.946 -23.801 -4.250 1.00329.54 C ATOM 1031 CD1 LEU B 236 91.107 -25.126 -4.018 1.00539.81 C ATOM 1032 CD2 LEU B 236 91.400 -23.002 -5.521 1.00476.36 C ATOM 0 H LEU B 236 92.511 -21.490 -0.869 1.00206.29 H new ATOM 0 HA LEU B 236 91.917 -24.366 -1.347 1.00219.83 H new ATOM 0 HB2 LEU B 236 90.943 -22.504 -2.748 1.00210.39 H new ATOM 0 HB3 LEU B 236 92.554 -21.956 -3.168 1.00210.39 H new ATOM 0 HG LEU B 236 92.975 -24.106 -4.438 1.00329.54 H new ATOM 0 HD11 LEU B 236 91.128 -25.733 -4.923 1.00539.81 H new ATOM 0 HD12 LEU B 236 91.539 -25.691 -3.192 1.00539.81 H new ATOM 0 HD13 LEU B 236 90.076 -24.866 -3.779 1.00539.81 H new ATOM 0 HD21 LEU B 236 91.396 -23.660 -6.390 1.00476.36 H new ATOM 0 HD22 LEU B 236 90.386 -22.655 -5.324 1.00476.36 H new ATOM 0 HD23 LEU B 236 92.045 -22.145 -5.717 1.00476.36 H new ATOM 1214 N LEU C 211 87.891 10.598 16.737 1.00231.56 N ATOM 1215 CA LEU C 211 87.375 9.543 15.764 1.00188.06 C ATOM 1216 C LEU C 211 87.346 10.094 14.316 1.00151.75 C ATOM 1217 O LEU C 211 87.297 9.335 13.369 1.00142.02 O ATOM 1218 CB LEU C 211 85.932 9.057 16.223 1.00268.84 C ATOM 1219 CG LEU C 211 85.930 8.293 17.652 1.00301.58 C ATOM 1220 CD1 LEU C 211 84.440 8.046 18.159 1.00581.98 C ATOM 1221 CD2 LEU C 211 86.737 6.911 17.591 1.00360.39 C ATOM 0 HA LEU C 211 88.052 8.689 15.773 1.00188.06 H new ATOM 0 HB2 LEU C 211 85.268 9.920 16.281 1.00268.84 H new ATOM 0 HB3 LEU C 211 85.523 8.391 15.463 1.00268.84 H new ATOM 0 HG LEU C 211 86.440 8.941 18.365 1.00301.58 H new ATOM 0 HD11 LEU C 211 84.463 7.532 19.120 1.00581.98 H new ATOM 0 HD12 LEU C 211 83.931 9.003 18.272 1.00581.98 H new ATOM 0 HD13 LEU C 211 83.905 7.434 17.433 1.00581.98 H new ATOM 0 HD21 LEU C 211 86.711 6.431 18.569 1.00360.39 H new ATOM 0 HD22 LEU C 211 86.278 6.254 16.852 1.00360.39 H new ATOM 0 HD23 LEU C 211 87.772 7.106 17.310 1.00360.39 H new ATOM 1233 N SER C 212 87.389 11.430 14.176 1.00158.67 N ATOM 1234 CA SER C 212 87.394 12.118 12.821 1.00158.20 C ATOM 1235 C SER C 212 88.749 11.872 12.106 1.00130.83 C ATOM 1236 O SER C 212 88.843 11.983 10.902 1.00132.54 O ATOM 1237 CB SER C 212 87.118 13.642 13.033 1.00208.34 C ATOM 1238 OG SER C 212 85.826 13.792 13.608 1.00487.96 O ATOM 0 H SER C 212 87.421 12.075 14.965 1.00158.67 H new ATOM 0 HA SER C 212 86.612 11.708 12.182 1.00158.20 H new ATOM 0 HB2 SER C 212 87.875 14.077 13.685 1.00208.34 H new ATOM 0 HB3 SER C 212 87.173 14.173 12.082 1.00208.34 H new ATOM 0 HG SER C 212 85.639 14.744 13.749 1.00487.96 H new ATOM 1244 N GLY C 213 89.790 11.558 12.906 1.00126.84 N ATOM 1245 CA GLY C 213 91.189 11.302 12.392 1.00119.64 C ATOM 1246 C GLY C 213 91.337 9.937 11.691 1.00 86.72 C ATOM 1247 O GLY C 213 91.873 9.864 10.589 1.00 78.65 O ATOM 0 H GLY C 213 89.706 11.471 13.919 1.00126.84 H new ATOM 0 HA2 GLY C 213 91.463 12.093 11.694 1.00119.64 H new ATOM 0 HA3 GLY C 213 91.890 11.354 13.225 1.00119.64 H new ATOM 1251 N ILE C 214 90.883 8.827 12.362 1.00 80.14 N ATOM 1252 CA ILE C 214 91.012 7.411 11.782 1.00 65.22 C ATOM 1253 C ILE C 214 90.127 7.248 10.511 1.00 46.88 C ATOM 1254 O ILE C 214 90.519 6.572 9.567 1.00 44.18 O ATOM 1255 CB ILE C 214 90.705 6.307 12.906 1.00 84.12 C ATOM 1256 CG1 ILE C 214 90.982 4.793 12.384 1.00191.66 C ATOM 1257 CG2 ILE C 214 89.212 6.438 13.444 1.00178.34 C ATOM 1258 CD1 ILE C 214 92.449 4.521 11.922 1.00390.09 C ATOM 0 H ILE C 214 90.435 8.864 13.278 1.00 80.14 H new ATOM 0 HA ILE C 214 92.042 7.253 11.462 1.00 65.22 H new ATOM 0 HB ILE C 214 91.396 6.501 13.726 1.00 84.12 H new ATOM 0 HG12 ILE C 214 90.732 4.096 13.184 1.00191.66 H new ATOM 0 HG13 ILE C 214 90.309 4.580 11.554 1.00191.66 H new ATOM 0 HG21 ILE C 214 89.031 5.678 14.204 1.00178.34 H new ATOM 0 HG22 ILE C 214 89.067 7.427 13.878 1.00178.34 H new ATOM 0 HG23 ILE C 214 88.514 6.298 12.618 1.00178.34 H new ATOM 0 HD11 ILE C 214 92.540 3.487 11.591 1.00390.09 H new ATOM 0 HD12 ILE C 214 92.701 5.189 11.099 1.00390.09 H new ATOM 0 HD13 ILE C 214 93.131 4.697 12.754 1.00390.09 H new ATOM 1270 N ILE C 215 88.912 7.883 10.510 1.00 44.76 N ATOM 1271 CA ILE C 215 87.937 7.808 9.320 1.00 38.12 C ATOM 1272 C ILE C 215 88.596 8.426 8.042 1.00 32.48 C ATOM 1273 O ILE C 215 88.425 7.902 6.962 1.00 30.32 O ATOM 1274 CB ILE C 215 86.547 8.526 9.706 1.00 47.55 C ATOM 1275 CG1 ILE C 215 85.832 7.726 10.922 1.00195.24 C ATOM 1276 CG2 ILE C 215 85.543 8.623 8.447 1.00179.44 C ATOM 1277 CD1 ILE C 215 84.616 8.485 11.535 1.00395.70 C ATOM 0 H ILE C 215 88.571 8.445 11.290 1.00 44.76 H new ATOM 0 HA ILE C 215 87.713 6.766 9.091 1.00 38.12 H new ATOM 0 HB ILE C 215 86.779 9.544 10.019 1.00 47.55 H new ATOM 0 HG12 ILE C 215 85.498 6.753 10.560 1.00195.24 H new ATOM 0 HG13 ILE C 215 86.567 7.540 11.705 1.00195.24 H new ATOM 0 HG21 ILE C 215 84.620 9.114 8.755 1.00179.44 H new ATOM 0 HG22 ILE C 215 86.013 9.200 7.651 1.00179.44 H new ATOM 0 HG23 ILE C 215 85.317 7.620 8.084 1.00179.44 H new ATOM 0 HD11 ILE C 215 84.187 7.892 12.343 1.00395.70 H new ATOM 0 HD12 ILE C 215 84.947 9.446 11.927 1.00395.70 H new ATOM 0 HD13 ILE C 215 83.863 8.648 10.764 1.00395.70 H new ATOM 1289 N ILE C 216 89.325 9.562 8.181 1.00 35.42 N ATOM 1290 CA ILE C 216 90.025 10.244 6.999 1.00 35.41 C ATOM 1291 C ILE C 216 91.230 9.364 6.532 1.00 32.11 C ATOM 1292 O ILE C 216 91.533 9.291 5.352 1.00 30.33 O ATOM 1293 CB ILE C 216 90.450 11.731 7.430 1.00 47.95 C ATOM 1294 CG1 ILE C 216 89.117 12.607 7.738 1.00 68.85 C ATOM 1295 CG2 ILE C 216 91.341 12.458 6.304 1.00 53.49 C ATOM 1296 CD1 ILE C 216 89.420 13.978 8.413 1.00188.96 C ATOM 0 H ILE C 216 89.458 10.039 9.073 1.00 35.42 H new ATOM 0 HA ILE C 216 89.356 10.338 6.144 1.00 35.41 H new ATOM 0 HB ILE C 216 91.063 11.656 8.328 1.00 47.95 H new ATOM 0 HG12 ILE C 216 88.582 12.780 6.805 1.00 68.85 H new ATOM 0 HG13 ILE C 216 88.454 12.031 8.384 1.00 68.85 H new ATOM 0 HG21 ILE C 216 91.604 13.461 6.640 1.00 53.49 H new ATOM 0 HG22 ILE C 216 92.250 11.882 6.132 1.00 53.49 H new ATOM 0 HG23 ILE C 216 90.772 12.524 5.376 1.00 53.49 H new ATOM 0 HD11 ILE C 216 88.486 14.511 8.590 1.00188.96 H new ATOM 0 HD12 ILE C 216 89.929 13.812 9.363 1.00188.96 H new ATOM 0 HD13 ILE C 216 90.058 14.572 7.759 1.00188.96 H new ATOM 1308 N TYR C 217 91.941 8.766 7.515 1.00 38.01 N ATOM 1309 CA TYR C 217 93.197 7.931 7.266 1.00 43.17 C ATOM 1310 C TYR C 217 92.941 6.628 6.440 1.00 34.30 C ATOM 1311 O TYR C 217 93.720 6.312 5.545 1.00 35.54 O ATOM 1312 CB TYR C 217 93.857 7.576 8.662 1.00 59.35 C ATOM 1313 CG TYR C 217 95.290 6.903 8.487 1.00152.97 C ATOM 1314 CD1 TYR C 217 95.474 5.482 8.584 1.00344.36 C ATOM 1315 CD2 TYR C 217 96.433 7.714 8.201 1.00351.46 C ATOM 1316 CE1 TYR C 217 96.758 4.917 8.402 1.00597.31 C ATOM 1317 CE2 TYR C 217 97.705 7.122 8.027 1.00581.99 C ATOM 1318 CZ TYR C 217 97.859 5.735 8.128 1.00642.60 C ATOM 1319 OH TYR C 217 99.109 5.169 7.952 1.00999.99 O ATOM 0 H TYR C 217 91.686 8.831 8.501 1.00 38.01 H new ATOM 0 HA TYR C 217 93.869 8.535 6.656 1.00 43.17 H new ATOM 0 HB2 TYR C 217 93.952 8.483 9.260 1.00 59.35 H new ATOM 0 HB3 TYR C 217 93.203 6.899 9.211 1.00 59.35 H new ATOM 0 HD1 TYR C 217 94.630 4.843 8.796 1.00344.36 H new ATOM 0 HD2 TYR C 217 96.324 8.785 8.117 1.00351.46 H new ATOM 0 HE1 TYR C 217 96.889 3.847 8.475 1.00597.31 H new ATOM 0 HE2 TYR C 217 98.562 7.744 7.815 1.00581.99 H new ATOM 0 HH TYR C 217 99.764 5.874 7.768 1.00999.99 H new ATOM 1329 N VAL C 218 91.880 5.839 6.792 1.00 29.91 N ATOM 1330 CA VAL C 218 91.589 4.502 6.089 1.00 27.34 C ATOM 1331 C VAL C 218 91.390 4.697 4.552 1.00 21.77 C ATOM 1332 O VAL C 218 91.662 3.791 3.775 1.00 22.24 O ATOM 1333 CB VAL C 218 90.353 3.763 6.801 1.00 30.91 C ATOM 1334 CG1 VAL C 218 89.054 4.673 6.779 1.00199.57 C ATOM 1335 CG2 VAL C 218 90.059 2.325 6.152 1.00117.67 C ATOM 0 H VAL C 218 91.218 6.076 7.531 1.00 29.91 H new ATOM 0 HA VAL C 218 92.455 3.848 6.192 1.00 27.34 H new ATOM 0 HB VAL C 218 90.634 3.597 7.841 1.00 30.91 H new ATOM 0 HG11 VAL C 218 88.233 4.148 7.268 1.00199.57 H new ATOM 0 HG12 VAL C 218 89.254 5.605 7.307 1.00199.57 H new ATOM 0 HG13 VAL C 218 88.781 4.892 5.747 1.00199.57 H new ATOM 0 HG21 VAL C 218 89.216 1.861 6.663 1.00117.67 H new ATOM 0 HG22 VAL C 218 89.821 2.445 5.095 1.00117.67 H new ATOM 0 HG23 VAL C 218 90.940 1.692 6.256 1.00117.67 H new ATOM 1345 N THR C 219 90.920 5.905 4.141 1.00 18.95 N ATOM 1346 CA THR C 219 90.688 6.259 2.669 1.00 16.87 C ATOM 1347 C THR C 219 92.038 6.392 1.933 1.00 22.03 C ATOM 1348 O THR C 219 92.230 5.854 0.856 1.00 22.63 O ATOM 1349 CB THR C 219 89.894 7.632 2.537 1.00 16.71 C ATOM 1350 OG1 THR C 219 90.753 8.720 2.888 1.00 22.73 O ATOM 1351 CG2 THR C 219 88.648 7.688 3.485 1.00 16.10 C ATOM 0 H THR C 219 90.689 6.661 4.785 1.00 18.95 H new ATOM 0 HA THR C 219 90.100 5.458 2.221 1.00 16.87 H new ATOM 0 HB THR C 219 89.557 7.705 1.503 1.00 16.71 H new ATOM 0 HG1 THR C 219 91.049 8.616 3.816 1.00 22.73 H new ATOM 0 HG21 THR C 219 88.138 8.643 3.360 1.00 16.10 H new ATOM 0 HG22 THR C 219 87.964 6.876 3.236 1.00 16.10 H new ATOM 0 HG23 THR C 219 88.973 7.583 4.520 1.00 16.10 H new ATOM 1359 N VAL C 220 92.967 7.156 2.559 1.00 28.87 N ATOM 1360 CA VAL C 220 94.353 7.422 1.994 1.00 38.63 C ATOM 1361 C VAL C 220 95.159 6.092 1.985 1.00 39.36 C ATOM 1362 O VAL C 220 95.760 5.732 0.987 1.00 45.31 O ATOM 1363 CB VAL C 220 95.072 8.563 2.868 1.00 56.07 C ATOM 1364 CG1 VAL C 220 96.532 8.920 2.300 1.00125.41 C ATOM 1365 CG2 VAL C 220 94.160 9.887 2.905 1.00203.96 C ATOM 0 H VAL C 220 92.800 7.608 3.458 1.00 28.87 H new ATOM 0 HA VAL C 220 94.292 7.783 0.967 1.00 38.63 H new ATOM 0 HB VAL C 220 95.194 8.175 3.879 1.00 56.07 H new ATOM 0 HG11 VAL C 220 96.984 9.695 2.919 1.00125.41 H new ATOM 0 HG12 VAL C 220 97.159 8.028 2.321 1.00125.41 H new ATOM 0 HG13 VAL C 220 96.446 9.279 1.274 1.00125.41 H new ATOM 0 HG21 VAL C 220 94.656 10.654 3.500 1.00203.96 H new ATOM 0 HG22 VAL C 220 94.011 10.255 1.890 1.00203.96 H new ATOM 0 HG23 VAL C 220 93.194 9.651 3.351 1.00203.96 H new ATOM 1375 N ALA C 221 95.130 5.364 3.132 1.00 38.23 N ATOM 1376 CA ALA C 221 95.863 4.039 3.299 1.00 42.23 C ATOM 1377 C ALA C 221 95.501 3.037 2.158 1.00 33.33 C ATOM 1378 O ALA C 221 96.337 2.250 1.730 1.00 37.12 O ATOM 1379 CB ALA C 221 95.517 3.432 4.710 1.00 49.70 C ATOM 0 H ALA C 221 94.615 5.654 3.963 1.00 38.23 H new ATOM 0 HA ALA C 221 96.936 4.220 3.235 1.00 42.23 H new ATOM 0 HB1 ALA C 221 96.039 2.483 4.836 1.00 49.70 H new ATOM 0 HB2 ALA C 221 95.831 4.125 5.491 1.00 49.70 H new ATOM 0 HB3 ALA C 221 94.442 3.267 4.781 1.00 49.70 H new ATOM 1385 N ALA C 222 94.220 3.093 1.690 1.00 25.30 N ATOM 1386 CA ALA C 222 93.701 2.183 0.585 1.00 21.49 C ATOM 1387 C ALA C 222 94.410 2.489 -0.768 1.00 18.70 C ATOM 1388 O ALA C 222 94.795 1.584 -1.485 1.00 17.70 O ATOM 1389 CB ALA C 222 92.140 2.366 0.459 1.00 22.90 C ATOM 0 H ALA C 222 93.522 3.746 2.046 1.00 25.30 H new ATOM 0 HA ALA C 222 93.922 1.146 0.839 1.00 21.49 H new ATOM 0 HB1 ALA C 222 91.760 1.718 -0.331 1.00 22.90 H new ATOM 0 HB2 ALA C 222 91.665 2.103 1.404 1.00 22.90 H new ATOM 0 HB3 ALA C 222 91.914 3.404 0.216 1.00 22.90 H new ATOM 1395 N VAL C 223 94.559 3.798 -1.091 1.00 20.44 N ATOM 1396 CA VAL C 223 95.226 4.274 -2.382 1.00 22.67 C ATOM 1397 C VAL C 223 96.752 3.981 -2.319 1.00 21.08 C ATOM 1398 O VAL C 223 97.345 3.550 -3.299 1.00 19.64 O ATOM 1399 CB VAL C 223 94.913 5.834 -2.597 1.00 32.28 C ATOM 1400 CG1 VAL C 223 95.569 6.399 -3.952 1.00 93.88 C ATOM 1401 CG2 VAL C 223 93.325 6.079 -2.614 1.00 49.49 C ATOM 0 H VAL C 223 94.236 4.559 -0.494 1.00 20.44 H new ATOM 0 HA VAL C 223 94.826 3.734 -3.240 1.00 22.67 H new ATOM 0 HB VAL C 223 95.360 6.376 -1.763 1.00 32.28 H new ATOM 0 HG11 VAL C 223 95.332 7.458 -4.057 1.00 93.88 H new ATOM 0 HG12 VAL C 223 96.651 6.271 -3.913 1.00 93.88 H new ATOM 0 HG13 VAL C 223 95.170 5.851 -4.806 1.00 93.88 H new ATOM 0 HG21 VAL C 223 93.122 7.140 -2.760 1.00 49.49 H new ATOM 0 HG22 VAL C 223 92.878 5.508 -3.428 1.00 49.49 H new ATOM 0 HG23 VAL C 223 92.897 5.755 -1.665 1.00 49.49 H new ATOM 1411 N VAL C 224 97.366 4.231 -1.131 1.00 23.86 N ATOM 1412 CA VAL C 224 98.856 4.000 -0.890 1.00 24.70 C ATOM 1413 C VAL C 224 99.193 2.487 -1.056 1.00 20.88 C ATOM 1414 O VAL C 224 100.268 2.146 -1.516 1.00 21.94 O ATOM 1415 CB VAL C 224 99.233 4.569 0.564 1.00 36.45 C ATOM 1416 CG1 VAL C 224 100.720 4.181 1.033 1.00116.15 C ATOM 1417 CG2 VAL C 224 99.061 6.170 0.594 1.00243.00 C ATOM 0 H VAL C 224 96.872 4.592 -0.315 1.00 23.86 H new ATOM 0 HA VAL C 224 99.458 4.534 -1.625 1.00 24.70 H new ATOM 0 HB VAL C 224 98.544 4.099 1.266 1.00 36.45 H new ATOM 0 HG11 VAL C 224 100.909 4.596 2.023 1.00116.15 H new ATOM 0 HG12 VAL C 224 100.818 3.096 1.070 1.00116.15 H new ATOM 0 HG13 VAL C 224 101.442 4.587 0.325 1.00116.15 H new ATOM 0 HG21 VAL C 224 99.319 6.545 1.584 1.00243.00 H new ATOM 0 HG22 VAL C 224 99.720 6.621 -0.148 1.00243.00 H new ATOM 0 HG23 VAL C 224 98.027 6.429 0.366 1.00243.00 H new ATOM 1427 N LEU C 225 98.253 1.596 -0.646 1.00 19.96 N ATOM 1428 CA LEU C 225 98.454 0.082 -0.717 1.00 20.98 C ATOM 1429 C LEU C 225 98.588 -0.422 -2.193 1.00 15.01 C ATOM 1430 O LEU C 225 99.406 -1.290 -2.478 1.00 15.52 O ATOM 1431 CB LEU C 225 97.240 -0.610 0.035 1.00 27.18 C ATOM 1432 CG LEU C 225 97.294 -2.230 0.086 1.00 27.61 C ATOM 1433 CD1 LEU C 225 98.611 -2.773 0.786 1.00 85.12 C ATOM 1434 CD2 LEU C 225 95.992 -2.807 0.811 1.00 62.48 C ATOM 0 H LEU C 225 97.349 1.873 -0.263 1.00 19.96 H new ATOM 0 HA LEU C 225 99.391 -0.186 -0.229 1.00 20.98 H new ATOM 0 HB2 LEU C 225 97.202 -0.231 1.056 1.00 27.18 H new ATOM 0 HB3 LEU C 225 96.312 -0.308 -0.451 1.00 27.18 H new ATOM 0 HG LEU C 225 97.316 -2.583 -0.945 1.00 27.61 H new ATOM 0 HD11 LEU C 225 98.596 -3.863 0.793 1.00 85.12 H new ATOM 0 HD12 LEU C 225 99.485 -2.426 0.235 1.00 85.12 H new ATOM 0 HD13 LEU C 225 98.657 -2.404 1.811 1.00 85.12 H new ATOM 0 HD21 LEU C 225 96.043 -3.896 0.838 1.00 62.48 H new ATOM 0 HD22 LEU C 225 95.941 -2.421 1.829 1.00 62.48 H new ATOM 0 HD23 LEU C 225 95.103 -2.498 0.261 1.00 62.48 H new ATOM 1446 N ILE C 226 97.735 0.113 -3.108 1.00 13.27 N ATOM 1447 CA ILE C 226 97.711 -0.311 -4.582 1.00 13.21 C ATOM 1448 C ILE C 226 99.026 0.118 -5.316 1.00 12.14 C ATOM 1449 O ILE C 226 99.628 -0.676 -6.007 1.00 14.66 O ATOM 1450 CB ILE C 226 96.394 0.294 -5.291 1.00 18.98 C ATOM 1451 CG1 ILE C 226 95.065 -0.217 -4.512 1.00 69.54 C ATOM 1452 CG2 ILE C 226 96.317 -0.112 -6.849 1.00 73.03 C ATOM 1453 CD1 ILE C 226 93.756 0.480 -4.995 1.00125.46 C ATOM 0 H ILE C 226 97.051 0.834 -2.878 1.00 13.27 H new ATOM 0 HA ILE C 226 97.665 -1.398 -4.644 1.00 13.21 H new ATOM 0 HB ILE C 226 96.452 1.381 -5.237 1.00 18.98 H new ATOM 0 HG12 ILE C 226 94.965 -1.294 -4.647 1.00 69.54 H new ATOM 0 HG13 ILE C 226 95.189 -0.040 -3.444 1.00 69.54 H new ATOM 0 HG21 ILE C 226 95.417 0.314 -7.292 1.00 73.03 H new ATOM 0 HG22 ILE C 226 97.194 0.273 -7.369 1.00 73.03 H new ATOM 0 HG23 ILE C 226 96.288 -1.198 -6.941 1.00 73.03 H new ATOM 0 HD11 ILE C 226 92.908 0.091 -4.432 1.00125.46 H new ATOM 0 HD12 ILE C 226 93.836 1.555 -4.834 1.00125.46 H new ATOM 0 HD13 ILE C 226 93.609 0.282 -6.057 1.00125.46 H new ATOM 1465 N VAL C 227 99.415 1.406 -5.203 1.00 14.38 N ATOM 1466 CA VAL C 227 100.656 1.973 -5.899 1.00 21.43 C ATOM 1467 C VAL C 227 101.987 1.382 -5.336 1.00 21.79 C ATOM 1468 O VAL C 227 102.951 1.237 -6.065 1.00 28.88 O ATOM 1469 CB VAL C 227 100.625 3.579 -5.824 1.00 37.54 C ATOM 1470 CG1 VAL C 227 99.283 4.140 -6.508 1.00188.14 C ATOM 1471 CG2 VAL C 227 100.711 4.069 -4.307 1.00119.96 C ATOM 0 H VAL C 227 98.909 2.094 -4.645 1.00 14.38 H new ATOM 0 HA VAL C 227 100.628 1.669 -6.945 1.00 21.43 H new ATOM 0 HB VAL C 227 101.488 3.967 -6.365 1.00 37.54 H new ATOM 0 HG11 VAL C 227 99.273 5.228 -6.451 1.00188.14 H new ATOM 0 HG12 VAL C 227 99.251 3.831 -7.553 1.00188.14 H new ATOM 0 HG13 VAL C 227 98.414 3.742 -5.985 1.00188.14 H new ATOM 0 HG21 VAL C 227 100.689 5.158 -4.275 1.00119.96 H new ATOM 0 HG22 VAL C 227 99.864 3.672 -3.748 1.00119.96 H new ATOM 0 HG23 VAL C 227 101.639 3.712 -3.861 1.00119.96 H new ATOM 1481 N ALA C 228 102.037 1.141 -3.998 1.00 22.71 N ATOM 1482 CA ALA C 228 103.311 0.682 -3.283 1.00 32.37 C ATOM 1483 C ALA C 228 103.891 -0.651 -3.851 1.00 29.32 C ATOM 1484 O ALA C 228 105.097 -0.743 -4.056 1.00 37.92 O ATOM 1485 CB ALA C 228 103.004 0.533 -1.742 1.00 48.46 C ATOM 0 H ALA C 228 101.233 1.248 -3.379 1.00 22.71 H new ATOM 0 HA ALA C 228 104.076 1.440 -3.453 1.00 32.37 H new ATOM 0 HB1 ALA C 228 103.904 0.206 -1.222 1.00 48.46 H new ATOM 0 HB2 ALA C 228 102.681 1.494 -1.341 1.00 48.46 H new ATOM 0 HB3 ALA C 228 102.214 -0.204 -1.598 1.00 48.46 H new ATOM 1491 N VAL C 229 103.037 -1.679 -4.105 1.00 27.01 N ATOM 1492 CA VAL C 229 103.533 -3.024 -4.661 1.00 38.77 C ATOM 1493 C VAL C 229 104.248 -2.820 -6.044 1.00 44.63 C ATOM 1494 O VAL C 229 105.217 -3.507 -6.336 1.00 61.53 O ATOM 1495 CB VAL C 229 102.342 -4.104 -4.738 1.00 51.53 C ATOM 1496 CG1 VAL C 229 101.820 -4.487 -3.264 1.00 76.73 C ATOM 1497 CG2 VAL C 229 101.137 -3.547 -5.618 1.00139.07 C ATOM 0 H VAL C 229 102.030 -1.634 -3.949 1.00 27.01 H new ATOM 0 HA VAL C 229 104.272 -3.430 -3.971 1.00 38.77 H new ATOM 0 HB VAL C 229 102.734 -5.005 -5.211 1.00 51.53 H new ATOM 0 HG11 VAL C 229 101.015 -5.218 -3.342 1.00 76.73 H new ATOM 0 HG12 VAL C 229 102.641 -4.911 -2.686 1.00 76.73 H new ATOM 0 HG13 VAL C 229 101.450 -3.591 -2.765 1.00 76.73 H new ATOM 0 HG21 VAL C 229 100.342 -4.291 -5.658 1.00139.07 H new ATOM 0 HG22 VAL C 229 100.754 -2.630 -5.171 1.00139.07 H new ATOM 0 HG23 VAL C 229 101.490 -3.338 -6.628 1.00139.07 H new ATOM 1507 N PHE C 230 103.761 -1.842 -6.877 1.00 41.85 N ATOM 1508 CA PHE C 230 104.399 -1.531 -8.239 1.00 63.85 C ATOM 1509 C PHE C 230 105.778 -0.827 -8.024 1.00 71.91 C ATOM 1510 O PHE C 230 106.748 -1.143 -8.700 1.00 92.60 O ATOM 1511 CB PHE C 230 103.429 -0.623 -9.109 1.00 79.69 C ATOM 1512 CG PHE C 230 102.207 -1.468 -9.683 1.00 46.23 C ATOM 1513 CD1 PHE C 230 100.873 -1.320 -9.182 1.00176.54 C ATOM 1514 CD2 PHE C 230 102.436 -2.417 -10.733 1.00191.25 C ATOM 1515 CE1 PHE C 230 99.815 -2.096 -9.717 1.00256.74 C ATOM 1516 CE2 PHE C 230 101.370 -3.183 -11.257 1.00304.14 C ATOM 1517 CZ PHE C 230 100.064 -3.024 -10.751 1.00242.56 C ATOM 0 H PHE C 230 102.953 -1.261 -6.654 1.00 41.85 H new ATOM 0 HA PHE C 230 104.563 -2.463 -8.781 1.00 63.85 H new ATOM 0 HB2 PHE C 230 103.052 0.198 -8.499 1.00 79.69 H new ATOM 0 HB3 PHE C 230 103.986 -0.178 -9.934 1.00 79.69 H new ATOM 0 HD1 PHE C 230 100.672 -0.612 -8.391 1.00176.54 H new ATOM 0 HD2 PHE C 230 103.433 -2.548 -11.127 1.00191.25 H new ATOM 0 HE1 PHE C 230 98.813 -1.977 -9.332 1.00256.74 H new ATOM 0 HE2 PHE C 230 101.557 -3.893 -12.049 1.00304.14 H new ATOM 0 HZ PHE C 230 99.253 -3.613 -11.155 1.00242.56 H new ATOM 1527 N VAL C 231 105.838 0.130 -7.056 1.00 66.58 N ATOM 1528 CA VAL C 231 107.119 0.904 -6.717 1.00 85.75 C ATOM 1529 C VAL C 231 108.162 -0.078 -6.099 1.00 88.90 C ATOM 1530 O VAL C 231 109.347 0.005 -6.398 1.00109.52 O ATOM 1531 CB VAL C 231 106.759 2.128 -5.744 1.00100.23 C ATOM 1532 CG1 VAL C 231 108.069 2.908 -5.232 1.00256.41 C ATOM 1533 CG2 VAL C 231 105.778 3.159 -6.496 1.00137.85 C ATOM 0 H VAL C 231 105.035 0.399 -6.488 1.00 66.58 H new ATOM 0 HA VAL C 231 107.568 1.330 -7.615 1.00 85.75 H new ATOM 0 HB VAL C 231 106.262 1.708 -4.870 1.00100.23 H new ATOM 0 HG11 VAL C 231 107.772 3.727 -4.577 1.00256.41 H new ATOM 0 HG12 VAL C 231 108.711 2.219 -4.683 1.00256.41 H new ATOM 0 HG13 VAL C 231 108.613 3.307 -6.088 1.00256.41 H new ATOM 0 HG21 VAL C 231 105.539 3.987 -5.828 1.00137.85 H new ATOM 0 HG22 VAL C 231 106.270 3.544 -7.389 1.00137.85 H new ATOM 0 HG23 VAL C 231 104.860 2.646 -6.781 1.00137.85 H new ATOM 1543 N CYS C 232 107.686 -1.014 -5.231 1.00 78.39 N ATOM 1544 CA CYS C 232 108.581 -2.052 -4.560 1.00 95.75 C ATOM 1545 C CYS C 232 109.130 -3.040 -5.635 1.00104.63 C ATOM 1546 O CYS C 232 110.277 -3.428 -5.596 1.00132.98 O ATOM 1547 CB CYS C 232 107.762 -2.814 -3.452 1.00 96.75 C ATOM 1548 SG CYS C 232 107.233 -1.660 -2.147 1.00224.28 S ATOM 0 H CYS C 232 106.703 -1.087 -4.969 1.00 78.39 H new ATOM 0 HA CYS C 232 109.429 -1.561 -4.082 1.00 95.75 H new ATOM 0 HB2 CYS C 232 106.890 -3.292 -3.899 1.00 96.75 H new ATOM 0 HB3 CYS C 232 108.373 -3.606 -3.020 1.00 96.75 H new ATOM 0 HG CYS C 232 106.217 -0.966 -2.567 1.00224.28 H new ATOM 1554 N LYS C 233 108.254 -3.422 -6.596 1.00 92.78 N ATOM 1555 CA LYS C 233 108.608 -4.377 -7.735 1.00115.18 C ATOM 1556 C LYS C 233 109.513 -3.663 -8.767 1.00138.40 C ATOM 1557 O LYS C 233 110.319 -4.301 -9.428 1.00166.81 O ATOM 1558 CB LYS C 233 107.257 -4.905 -8.384 1.00109.39 C ATOM 1559 CG LYS C 233 107.488 -6.024 -9.508 1.00296.61 C ATOM 1560 CD LYS C 233 106.103 -6.570 -10.098 1.00316.29 C ATOM 1561 CE LYS C 233 106.316 -7.683 -11.194 1.00729.45 C ATOM 1562 NZ LYS C 233 104.985 -8.134 -11.692 1.00901.13 N ATOM 0 H LYS C 233 107.288 -3.095 -6.626 1.00 92.78 H new ATOM 0 HA LYS C 233 109.171 -5.232 -7.361 1.00115.18 H new ATOM 0 HB2 LYS C 233 106.621 -5.314 -7.599 1.00109.39 H new ATOM 0 HB3 LYS C 233 106.720 -4.064 -8.823 1.00109.39 H new ATOM 0 HG2 LYS C 233 108.089 -5.608 -10.317 1.00296.61 H new ATOM 0 HG3 LYS C 233 108.055 -6.853 -9.084 1.00296.61 H new ATOM 0 HD2 LYS C 233 105.499 -6.974 -9.286 1.00316.29 H new ATOM 0 HD3 LYS C 233 105.543 -5.741 -10.530 1.00316.29 H new ATOM 0 HE2 LYS C 233 106.913 -7.291 -12.017 1.00729.45 H new ATOM 0 HE3 LYS C 233 106.866 -8.525 -10.774 1.00729.45 H new ATOM 0 HZ1 LYS C 233 105.116 -8.869 -12.416 1.00901.13 H new ATOM 0 HZ2 LYS C 233 104.432 -8.522 -10.901 1.00901.13 H new ATOM 0 HZ3 LYS C 233 104.478 -7.326 -12.106 1.00901.13 H new