USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 632 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -18.279 -6.523 -21.771 1.00 0.00 N ATOM 96 CA GLY A 7 -19.150 -5.470 -21.278 1.00 0.00 C ATOM 97 C GLY A 7 -19.957 -5.947 -20.069 1.00 0.00 C ATOM 98 O GLY A 7 -19.904 -5.337 -19.003 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.554 -4.600 -21.002 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.828 -5.153 -22.070 1.00 0.00 H new ATOM 102 N TYR A 8 -20.686 -7.034 -20.276 1.00 0.00 N ATOM 103 CA TYR A 8 -21.503 -7.600 -19.217 1.00 0.00 C ATOM 104 C TYR A 8 -20.705 -7.726 -17.917 1.00 0.00 C ATOM 105 O TYR A 8 -21.163 -7.297 -16.859 1.00 0.00 O ATOM 106 CB TYR A 8 -21.903 -8.998 -19.693 1.00 0.00 C ATOM 107 CG TYR A 8 -23.251 -9.478 -19.152 1.00 0.00 C ATOM 108 CD1 TYR A 8 -24.423 -9.043 -19.736 1.00 0.00 C ATOM 109 CD2 TYR A 8 -23.294 -10.346 -18.080 1.00 0.00 C ATOM 110 CE1 TYR A 8 -25.692 -9.495 -19.227 1.00 0.00 C ATOM 111 CE2 TYR A 8 -24.563 -10.798 -17.571 1.00 0.00 C ATOM 112 CZ TYR A 8 -25.700 -10.350 -18.169 1.00 0.00 C ATOM 113 OH TYR A 8 -26.898 -10.777 -17.688 1.00 0.00 O ATOM 0 H TYR A 8 -20.728 -7.538 -21.162 1.00 0.00 H new ATOM 0 HA TYR A 8 -22.365 -6.964 -19.017 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -21.938 -9.003 -20.782 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -21.130 -9.707 -19.395 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -24.389 -8.364 -20.575 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -22.376 -10.686 -17.623 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -26.617 -9.163 -19.675 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -24.611 -11.478 -16.733 1.00 0.00 H new ATOM 0 HH TYR A 8 -26.750 -11.384 -16.933 1.00 0.00 H new ATOM 123 N ALA A 9 -19.526 -8.316 -18.039 1.00 0.00 N ATOM 124 CA ALA A 9 -18.660 -8.504 -16.887 1.00 0.00 C ATOM 125 C ALA A 9 -18.379 -7.147 -16.239 1.00 0.00 C ATOM 126 O ALA A 9 -18.290 -7.046 -15.016 1.00 0.00 O ATOM 127 CB ALA A 9 -17.378 -9.218 -17.323 1.00 0.00 C ATOM 0 H ALA A 9 -19.149 -8.671 -18.918 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.146 -9.132 -16.140 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.728 -9.359 -16.459 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.629 -10.189 -17.750 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.862 -8.615 -18.070 1.00 0.00 H new ATOM 133 N ALA A 10 -18.249 -6.137 -17.087 1.00 0.00 N ATOM 134 CA ALA A 10 -17.980 -4.791 -16.612 1.00 0.00 C ATOM 135 C ALA A 10 -19.216 -4.255 -15.886 1.00 0.00 C ATOM 136 O ALA A 10 -19.098 -3.440 -14.972 1.00 0.00 O ATOM 137 CB ALA A 10 -17.567 -3.906 -17.790 1.00 0.00 C ATOM 0 H ALA A 10 -18.325 -6.224 -18.100 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.154 -4.793 -15.901 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.365 -2.896 -17.433 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.669 -4.313 -18.254 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.373 -3.877 -18.524 1.00 0.00 H new ATOM 143 N LEU A 11 -20.372 -4.735 -16.320 1.00 0.00 N ATOM 144 CA LEU A 11 -21.628 -4.314 -15.722 1.00 0.00 C ATOM 145 C LEU A 11 -21.759 -4.936 -14.330 1.00 0.00 C ATOM 146 O LEU A 11 -22.114 -4.251 -13.372 1.00 0.00 O ATOM 147 CB LEU A 11 -22.799 -4.637 -16.653 1.00 0.00 C ATOM 148 CG LEU A 11 -23.998 -3.691 -16.576 1.00 0.00 C ATOM 149 CD1 LEU A 11 -23.975 -2.681 -17.725 1.00 0.00 C ATOM 150 CD2 LEU A 11 -25.312 -4.473 -16.527 1.00 0.00 C ATOM 0 H LEU A 11 -20.466 -5.411 -17.078 1.00 0.00 H new ATOM 0 HA LEU A 11 -21.644 -3.232 -15.591 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.431 -4.642 -17.679 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -23.144 -5.647 -16.433 1.00 0.00 H new ATOM 0 HG LEU A 11 -23.926 -3.124 -15.648 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.839 -2.021 -17.646 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -23.060 -2.090 -17.672 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.010 -3.212 -18.677 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.148 -3.776 -16.473 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.406 -5.083 -17.425 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -25.319 -5.118 -15.648 1.00 0.00 H new ATOM 162 N VAL A 12 -21.466 -6.226 -14.264 1.00 0.00 N ATOM 163 CA VAL A 12 -21.547 -6.948 -13.005 1.00 0.00 C ATOM 164 C VAL A 12 -20.613 -6.292 -11.985 1.00 0.00 C ATOM 165 O VAL A 12 -21.061 -5.822 -10.941 1.00 0.00 O ATOM 166 CB VAL A 12 -21.239 -8.429 -13.230 1.00 0.00 C ATOM 167 CG1 VAL A 12 -21.049 -9.159 -11.899 1.00 0.00 C ATOM 168 CG2 VAL A 12 -22.332 -9.095 -14.069 1.00 0.00 C ATOM 0 H VAL A 12 -21.172 -6.790 -15.061 1.00 0.00 H new ATOM 0 HA VAL A 12 -22.558 -6.898 -12.601 1.00 0.00 H new ATOM 0 HB VAL A 12 -20.303 -8.495 -13.785 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -20.831 -10.210 -12.088 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.220 -8.709 -11.353 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -21.960 -9.078 -11.306 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -22.089 -10.148 -14.214 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -23.288 -9.012 -13.553 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -22.398 -8.601 -15.038 1.00 0.00 H new ATOM 178 N THR A 13 -19.332 -6.281 -12.324 1.00 0.00 N ATOM 179 CA THR A 13 -18.332 -5.691 -11.451 1.00 0.00 C ATOM 180 C THR A 13 -18.743 -4.272 -11.053 1.00 0.00 C ATOM 181 O THR A 13 -18.746 -3.932 -9.870 1.00 0.00 O ATOM 182 CB THR A 13 -16.982 -5.754 -12.169 1.00 0.00 C ATOM 183 OG1 THR A 13 -16.677 -7.145 -12.215 1.00 0.00 O ATOM 184 CG2 THR A 13 -15.848 -5.151 -11.337 1.00 0.00 C ATOM 0 H THR A 13 -18.964 -6.671 -13.191 1.00 0.00 H new ATOM 0 HA THR A 13 -18.246 -6.245 -10.516 1.00 0.00 H new ATOM 0 HB THR A 13 -17.053 -5.229 -13.121 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.817 -7.277 -12.667 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.913 -5.221 -11.892 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.068 -4.104 -11.127 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.755 -5.698 -10.399 1.00 0.00 H new ATOM 192 N PHE A 14 -19.079 -3.482 -12.062 1.00 0.00 N ATOM 193 CA PHE A 14 -19.490 -2.108 -11.831 1.00 0.00 C ATOM 194 C PHE A 14 -20.491 -2.021 -10.677 1.00 0.00 C ATOM 195 O PHE A 14 -20.209 -1.403 -9.652 1.00 0.00 O ATOM 196 CB PHE A 14 -20.167 -1.622 -13.114 1.00 0.00 C ATOM 197 CG PHE A 14 -20.986 -0.341 -12.940 1.00 0.00 C ATOM 198 CD1 PHE A 14 -20.394 0.872 -13.108 1.00 0.00 C ATOM 199 CD2 PHE A 14 -22.304 -0.416 -12.616 1.00 0.00 C ATOM 200 CE1 PHE A 14 -21.154 2.060 -12.946 1.00 0.00 C ATOM 201 CE2 PHE A 14 -23.064 0.772 -12.454 1.00 0.00 C ATOM 202 CZ PHE A 14 -22.473 1.986 -12.623 1.00 0.00 C ATOM 0 H PHE A 14 -19.075 -3.767 -13.041 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.624 -1.500 -11.572 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -19.404 -1.452 -13.873 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.820 -2.410 -13.489 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.347 0.931 -13.364 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -22.773 -1.380 -12.482 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.684 3.023 -13.079 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.111 0.712 -12.197 1.00 0.00 H new ATOM 0 HZ PHE A 14 -23.051 2.890 -12.501 1.00 0.00 H new ATOM 212 N GLY A 15 -21.638 -2.651 -10.882 1.00 0.00 N ATOM 213 CA GLY A 15 -22.682 -2.652 -9.872 1.00 0.00 C ATOM 214 C GLY A 15 -22.186 -3.289 -8.572 1.00 0.00 C ATOM 215 O GLY A 15 -22.142 -2.633 -7.532 1.00 0.00 O ATOM 0 H GLY A 15 -21.867 -3.164 -11.733 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -23.008 -1.630 -9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -23.550 -3.199 -10.241 1.00 0.00 H new ATOM 219 N SER A 16 -21.825 -4.560 -8.673 1.00 0.00 N ATOM 220 CA SER A 16 -21.334 -5.293 -7.519 1.00 0.00 C ATOM 221 C SER A 16 -20.452 -4.385 -6.659 1.00 0.00 C ATOM 222 O SER A 16 -20.805 -4.062 -5.526 1.00 0.00 O ATOM 223 CB SER A 16 -20.555 -6.538 -7.947 1.00 0.00 C ATOM 224 OG SER A 16 -20.780 -7.637 -7.069 1.00 0.00 O ATOM 0 H SER A 16 -21.863 -5.101 -9.537 1.00 0.00 H new ATOM 0 HA SER A 16 -22.192 -5.619 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.846 -6.817 -8.959 1.00 0.00 H new ATOM 0 HB3 SER A 16 -19.490 -6.308 -7.974 1.00 0.00 H new ATOM 0 HG SER A 16 -20.267 -8.413 -7.378 1.00 0.00 H new ATOM 230 N ILE A 17 -19.321 -3.998 -7.231 1.00 0.00 N ATOM 231 CA ILE A 17 -18.386 -3.134 -6.532 1.00 0.00 C ATOM 232 C ILE A 17 -19.147 -1.958 -5.917 1.00 0.00 C ATOM 233 O ILE A 17 -18.908 -1.593 -4.767 1.00 0.00 O ATOM 234 CB ILE A 17 -17.248 -2.710 -7.463 1.00 0.00 C ATOM 235 CG1 ILE A 17 -15.886 -2.927 -6.799 1.00 0.00 C ATOM 236 CG2 ILE A 17 -17.433 -1.266 -7.933 1.00 0.00 C ATOM 237 CD1 ILE A 17 -15.416 -4.373 -6.973 1.00 0.00 C ATOM 0 H ILE A 17 -19.031 -4.267 -8.171 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.912 -3.672 -5.711 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.278 -3.343 -8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.153 -2.248 -7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.952 -2.687 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.611 -0.990 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -18.376 -1.177 -8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.444 -0.601 -7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.446 -4.501 -6.492 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.139 -5.048 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.327 -4.601 -8.035 1.00 0.00 H new ATOM 249 N PHE A 18 -20.048 -1.397 -6.710 1.00 0.00 N ATOM 250 CA PHE A 18 -20.846 -0.270 -6.258 1.00 0.00 C ATOM 251 C PHE A 18 -21.495 -0.566 -4.905 1.00 0.00 C ATOM 252 O PHE A 18 -21.508 0.287 -4.019 1.00 0.00 O ATOM 253 CB PHE A 18 -21.944 -0.053 -7.301 1.00 0.00 C ATOM 254 CG PHE A 18 -22.325 1.414 -7.507 1.00 0.00 C ATOM 255 CD1 PHE A 18 -23.045 2.070 -6.557 1.00 0.00 C ATOM 256 CD2 PHE A 18 -21.944 2.063 -8.640 1.00 0.00 C ATOM 257 CE1 PHE A 18 -23.399 3.431 -6.749 1.00 0.00 C ATOM 258 CE2 PHE A 18 -22.297 3.425 -8.831 1.00 0.00 C ATOM 259 CZ PHE A 18 -23.018 4.080 -7.881 1.00 0.00 C ATOM 0 H PHE A 18 -20.243 -1.702 -7.663 1.00 0.00 H new ATOM 0 HA PHE A 18 -20.215 0.611 -6.143 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -21.614 -0.469 -8.253 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.832 -0.610 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -23.347 1.555 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -21.373 1.542 -9.394 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -23.971 3.951 -5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -21.993 3.941 -9.730 1.00 0.00 H new ATOM 0 HZ PHE A 18 -23.288 5.116 -8.026 1.00 0.00 H new ATOM 269 N GLY A 19 -22.018 -1.778 -4.787 1.00 0.00 N ATOM 270 CA GLY A 19 -22.667 -2.197 -3.557 1.00 0.00 C ATOM 271 C GLY A 19 -21.638 -2.658 -2.523 1.00 0.00 C ATOM 272 O GLY A 19 -21.930 -2.708 -1.329 1.00 0.00 O ATOM 0 H GLY A 19 -22.005 -2.483 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.251 -1.371 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.364 -3.008 -3.768 1.00 0.00 H new ATOM 276 N TYR A 20 -20.453 -2.984 -3.020 1.00 0.00 N ATOM 277 CA TYR A 20 -19.379 -3.439 -2.154 1.00 0.00 C ATOM 278 C TYR A 20 -19.760 -4.740 -1.444 1.00 0.00 C ATOM 279 O TYR A 20 -20.856 -4.854 -0.896 1.00 0.00 O ATOM 280 CB TYR A 20 -19.185 -2.340 -1.108 1.00 0.00 C ATOM 281 CG TYR A 20 -17.796 -2.330 -0.466 1.00 0.00 C ATOM 282 CD1 TYR A 20 -17.484 -3.247 0.517 1.00 0.00 C ATOM 283 CD2 TYR A 20 -16.855 -1.404 -0.869 1.00 0.00 C ATOM 284 CE1 TYR A 20 -16.177 -3.238 1.122 1.00 0.00 C ATOM 285 CE2 TYR A 20 -15.549 -1.395 -0.264 1.00 0.00 C ATOM 286 CZ TYR A 20 -15.274 -2.313 0.701 1.00 0.00 C ATOM 287 OH TYR A 20 -14.040 -2.304 1.272 1.00 0.00 O ATOM 0 H TYR A 20 -20.214 -2.942 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.475 -3.629 -2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -19.365 -1.372 -1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.935 -2.461 -0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -18.220 -3.972 0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -17.099 -0.686 -1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.920 -3.950 1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.804 -0.675 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.500 -1.591 0.872 1.00 0.00 H new ATOM 297 N LYS A 21 -18.836 -5.688 -1.478 1.00 0.00 N ATOM 298 CA LYS A 21 -19.061 -6.976 -0.845 1.00 0.00 C ATOM 299 C LYS A 21 -18.248 -7.054 0.449 1.00 0.00 C ATOM 300 O LYS A 21 -17.595 -6.085 0.834 1.00 0.00 O ATOM 301 CB LYS A 21 -18.767 -8.114 -1.825 1.00 0.00 C ATOM 302 CG LYS A 21 -19.926 -9.111 -1.872 1.00 0.00 C ATOM 303 CD LYS A 21 -19.603 -10.285 -2.798 1.00 0.00 C ATOM 304 CE LYS A 21 -20.245 -10.092 -4.173 1.00 0.00 C ATOM 305 NZ LYS A 21 -19.349 -10.597 -5.238 1.00 0.00 N ATOM 0 H LYS A 21 -17.929 -5.590 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 21 -20.110 -7.086 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -18.594 -7.705 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.853 -8.628 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.132 -9.481 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.829 -8.608 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.523 -10.380 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -19.961 -11.213 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.199 -10.617 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.456 -9.035 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.799 -10.459 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.449 -10.077 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.169 -11.610 -5.088 1.00 0.00 H new ATOM 319 N ARG A 22 -18.315 -8.214 1.084 1.00 0.00 N ATOM 320 CA ARG A 22 -17.594 -8.430 2.326 1.00 0.00 C ATOM 321 C ARG A 22 -16.097 -8.587 2.050 1.00 0.00 C ATOM 322 O ARG A 22 -15.267 -8.063 2.791 1.00 0.00 O ATOM 323 CB ARG A 22 -18.105 -9.677 3.051 1.00 0.00 C ATOM 324 CG ARG A 22 -18.910 -9.297 4.295 1.00 0.00 C ATOM 325 CD ARG A 22 -20.360 -9.772 4.177 1.00 0.00 C ATOM 326 NE ARG A 22 -20.825 -10.307 5.476 1.00 0.00 N ATOM 327 CZ ARG A 22 -22.079 -10.712 5.716 1.00 0.00 C ATOM 328 NH1 ARG A 22 -23.002 -10.645 4.746 1.00 0.00 N ATOM 329 NH2 ARG A 22 -22.411 -11.184 6.925 1.00 0.00 N ATOM 0 H ARG A 22 -18.858 -9.015 0.761 1.00 0.00 H new ATOM 0 HA ARG A 22 -17.761 -7.560 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -18.727 -10.265 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.262 -10.307 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.450 -9.739 5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.888 -8.216 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -20.998 -8.945 3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -20.438 -10.541 3.409 1.00 0.00 H new ATOM 0 HE ARG A 22 -20.148 -10.371 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -22.749 -10.286 3.825 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -23.957 -10.953 4.929 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -21.709 -11.235 7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -23.366 -11.492 7.107 1.00 0.00 H new ATOM 343 N ARG A 23 -15.797 -9.312 0.982 1.00 0.00 N ATOM 344 CA ARG A 23 -14.415 -9.544 0.599 1.00 0.00 C ATOM 345 C ARG A 23 -14.316 -10.769 -0.313 1.00 0.00 C ATOM 346 O ARG A 23 -15.331 -11.362 -0.674 1.00 0.00 O ATOM 347 CB ARG A 23 -13.532 -9.760 1.829 1.00 0.00 C ATOM 348 CG ARG A 23 -12.686 -8.520 2.122 1.00 0.00 C ATOM 349 CD ARG A 23 -12.324 -8.440 3.606 1.00 0.00 C ATOM 350 NE ARG A 23 -10.958 -8.968 3.823 1.00 0.00 N ATOM 351 CZ ARG A 23 -10.350 -9.009 5.016 1.00 0.00 C ATOM 352 NH1 ARG A 23 -10.981 -8.554 6.107 1.00 0.00 N ATOM 353 NH2 ARG A 23 -9.109 -9.506 5.119 1.00 0.00 N ATOM 0 H ARG A 23 -16.488 -9.746 0.370 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.065 -8.660 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.156 -9.991 2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.881 -10.619 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.776 -8.547 1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.234 -7.624 1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.382 -7.407 3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.041 -9.011 4.195 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.448 -9.323 3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.925 -8.176 6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.517 -8.586 7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.628 -9.853 4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.646 -9.537 6.027 1.00 0.00 H new ATOM 367 N GLY A 24 -13.084 -11.110 -0.661 1.00 0.00 N ATOM 368 CA GLY A 24 -12.838 -12.252 -1.524 1.00 0.00 C ATOM 369 C GLY A 24 -12.120 -11.827 -2.806 1.00 0.00 C ATOM 370 O GLY A 24 -12.747 -11.683 -3.854 1.00 0.00 O ATOM 0 H GLY A 24 -12.245 -10.615 -0.360 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.236 -12.990 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.783 -12.733 -1.775 1.00 0.00 H new ATOM 374 N GLY A 25 -10.815 -11.638 -2.680 1.00 0.00 N ATOM 375 CA GLY A 25 -10.004 -11.231 -3.815 1.00 0.00 C ATOM 376 C GLY A 25 -8.538 -11.064 -3.411 1.00 0.00 C ATOM 377 O GLY A 25 -7.668 -11.778 -3.906 1.00 0.00 O ATOM 0 H GLY A 25 -10.299 -11.759 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.084 -11.974 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.383 -10.292 -4.219 1.00 0.00 H new ATOM 381 N VAL A 26 -8.310 -10.116 -2.514 1.00 0.00 N ATOM 382 CA VAL A 26 -6.965 -9.845 -2.037 1.00 0.00 C ATOM 383 C VAL A 26 -7.035 -9.289 -0.613 1.00 0.00 C ATOM 384 O VAL A 26 -7.190 -8.084 -0.420 1.00 0.00 O ATOM 385 CB VAL A 26 -6.243 -8.910 -3.009 1.00 0.00 C ATOM 386 CG1 VAL A 26 -5.828 -9.654 -4.280 1.00 0.00 C ATOM 387 CG2 VAL A 26 -7.108 -7.693 -3.343 1.00 0.00 C ATOM 0 H VAL A 26 -9.035 -9.526 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.382 -10.765 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.337 -8.553 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.317 -8.966 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.157 -10.473 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.714 -10.054 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.572 -7.044 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.039 -8.024 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.330 -7.143 -2.429 1.00 0.00 H new ATOM 397 N PRO A 27 -6.915 -10.217 0.373 1.00 0.00 N ATOM 398 CA PRO A 27 -6.963 -9.832 1.774 1.00 0.00 C ATOM 399 C PRO A 27 -5.659 -9.157 2.202 1.00 0.00 C ATOM 400 O PRO A 27 -5.515 -8.751 3.354 1.00 0.00 O ATOM 401 CB PRO A 27 -7.240 -11.123 2.527 1.00 0.00 C ATOM 402 CG PRO A 27 -6.875 -12.249 1.574 1.00 0.00 C ATOM 403 CD PRO A 27 -6.730 -11.653 0.183 1.00 0.00 C ATOM 0 HA PRO A 27 -7.736 -9.092 1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.647 -11.177 3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.287 -11.186 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.945 -12.725 1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.646 -13.020 1.581 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.751 -11.873 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.474 -12.061 -0.502 1.00 0.00 H new ATOM 411 N SER A 28 -4.741 -9.059 1.252 1.00 0.00 N ATOM 412 CA SER A 28 -3.453 -8.441 1.516 1.00 0.00 C ATOM 413 C SER A 28 -3.453 -6.995 1.014 1.00 0.00 C ATOM 414 O SER A 28 -3.339 -6.060 1.805 1.00 0.00 O ATOM 415 CB SER A 28 -2.318 -9.230 0.861 1.00 0.00 C ATOM 416 OG SER A 28 -2.227 -10.558 1.370 1.00 0.00 O ATOM 0 H SER A 28 -4.864 -9.397 0.298 1.00 0.00 H new ATOM 0 HA SER A 28 -3.287 -8.445 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.476 -9.265 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.373 -8.712 1.028 1.00 0.00 H new ATOM 0 HG SER A 28 -1.492 -11.029 0.925 1.00 0.00 H new ATOM 422 N LEU A 29 -3.582 -6.858 -0.297 1.00 0.00 N ATOM 423 CA LEU A 29 -3.599 -5.543 -0.914 1.00 0.00 C ATOM 424 C LEU A 29 -4.453 -4.598 -0.066 1.00 0.00 C ATOM 425 O LEU A 29 -4.017 -3.498 0.273 1.00 0.00 O ATOM 426 CB LEU A 29 -4.053 -5.640 -2.372 1.00 0.00 C ATOM 427 CG LEU A 29 -3.543 -4.543 -3.308 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.383 -5.050 -4.167 1.00 0.00 C ATOM 429 CD2 LEU A 29 -4.681 -3.975 -4.158 1.00 0.00 C ATOM 0 H LEU A 29 -3.676 -7.636 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.593 -5.124 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.734 -6.604 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.143 -5.631 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.158 -3.726 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.040 -4.250 -4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.564 -5.367 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.718 -5.895 -4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.291 -3.197 -4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.119 -4.772 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.445 -3.551 -3.506 1.00 0.00 H new ATOM 441 N ILE A 30 -5.653 -5.060 0.252 1.00 0.00 N ATOM 442 CA ILE A 30 -6.571 -4.270 1.053 1.00 0.00 C ATOM 443 C ILE A 30 -5.840 -3.744 2.290 1.00 0.00 C ATOM 444 O ILE A 30 -5.883 -2.549 2.580 1.00 0.00 O ATOM 445 CB ILE A 30 -7.829 -5.077 1.380 1.00 0.00 C ATOM 446 CG1 ILE A 30 -7.472 -6.386 2.088 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.669 -5.317 0.124 1.00 0.00 C ATOM 448 CD1 ILE A 30 -7.488 -6.209 3.608 1.00 0.00 C ATOM 0 H ILE A 30 -6.011 -5.972 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.914 -3.401 0.491 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.439 -4.493 2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.180 -7.164 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.485 -6.720 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.557 -5.893 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.969 -4.359 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.080 -5.870 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.231 -7.154 4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.762 -5.448 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.483 -5.899 3.928 1.00 0.00 H new ATOM 460 N ALA A 31 -5.185 -4.662 2.986 1.00 0.00 N ATOM 461 CA ALA A 31 -4.445 -4.306 4.184 1.00 0.00 C ATOM 462 C ALA A 31 -3.432 -3.210 3.846 1.00 0.00 C ATOM 463 O ALA A 31 -3.188 -2.314 4.653 1.00 0.00 O ATOM 464 CB ALA A 31 -3.779 -5.555 4.764 1.00 0.00 C ATOM 0 H ALA A 31 -5.152 -5.652 2.743 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.117 -3.911 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.224 -5.287 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.543 -6.291 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.095 -5.978 4.028 1.00 0.00 H new ATOM 470 N GLY A 32 -2.869 -3.317 2.651 1.00 0.00 N ATOM 471 CA GLY A 32 -1.888 -2.346 2.196 1.00 0.00 C ATOM 472 C GLY A 32 -2.541 -0.987 1.937 1.00 0.00 C ATOM 473 O GLY A 32 -1.898 0.052 2.081 1.00 0.00 O ATOM 0 H GLY A 32 -3.074 -4.061 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.103 -2.239 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.412 -2.705 1.283 1.00 0.00 H new ATOM 477 N LEU A 33 -3.810 -1.038 1.561 1.00 0.00 N ATOM 478 CA LEU A 33 -4.557 0.176 1.280 1.00 0.00 C ATOM 479 C LEU A 33 -4.942 0.849 2.599 1.00 0.00 C ATOM 480 O LEU A 33 -4.877 2.072 2.719 1.00 0.00 O ATOM 481 CB LEU A 33 -5.752 -0.127 0.373 1.00 0.00 C ATOM 482 CG LEU A 33 -6.711 1.037 0.116 1.00 0.00 C ATOM 483 CD1 LEU A 33 -6.990 1.198 -1.379 1.00 0.00 C ATOM 484 CD2 LEU A 33 -7.999 0.875 0.926 1.00 0.00 C ATOM 0 H LEU A 33 -4.340 -1.902 1.444 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.939 0.884 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.374 -0.479 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.318 -0.948 0.813 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.232 1.956 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.674 2.032 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.055 1.393 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.440 0.283 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.663 1.716 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.493 -0.054 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.759 0.848 1.989 1.00 0.00 H new ATOM 496 N PHE A 34 -5.334 0.022 3.557 1.00 0.00 N ATOM 497 CA PHE A 34 -5.729 0.521 4.863 1.00 0.00 C ATOM 498 C PHE A 34 -4.553 1.197 5.570 1.00 0.00 C ATOM 499 O PHE A 34 -4.700 2.285 6.125 1.00 0.00 O ATOM 500 CB PHE A 34 -6.179 -0.687 5.687 1.00 0.00 C ATOM 501 CG PHE A 34 -6.573 -0.347 7.126 1.00 0.00 C ATOM 502 CD1 PHE A 34 -5.615 -0.230 8.084 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.881 -0.162 7.446 1.00 0.00 C ATOM 504 CE1 PHE A 34 -5.980 0.085 9.419 1.00 0.00 C ATOM 505 CE2 PHE A 34 -8.247 0.154 8.782 1.00 0.00 C ATOM 506 CZ PHE A 34 -7.289 0.271 9.740 1.00 0.00 C ATOM 0 H PHE A 34 -5.386 -0.991 3.454 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.525 1.258 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.028 -1.157 5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.374 -1.422 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.576 -0.377 7.829 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.642 -0.255 6.685 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.219 0.177 10.180 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.286 0.301 9.037 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.567 0.512 10.755 1.00 0.00 H new ATOM 516 N VAL A 35 -3.412 0.525 5.527 1.00 0.00 N ATOM 517 CA VAL A 35 -2.211 1.047 6.157 1.00 0.00 C ATOM 518 C VAL A 35 -1.767 2.315 5.425 1.00 0.00 C ATOM 519 O VAL A 35 -1.509 3.340 6.054 1.00 0.00 O ATOM 520 CB VAL A 35 -1.128 -0.033 6.193 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.667 -0.395 4.780 1.00 0.00 C ATOM 522 CG2 VAL A 35 0.054 0.405 7.060 1.00 0.00 C ATOM 0 H VAL A 35 -3.294 -0.377 5.065 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.411 1.322 7.192 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.561 -0.926 6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.103 -1.165 4.834 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.514 -0.769 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.261 0.491 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.810 -0.381 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.485 1.319 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.290 0.589 8.078 1.00 0.00 H new ATOM 532 N GLY A 36 -1.691 2.203 4.107 1.00 0.00 N ATOM 533 CA GLY A 36 -1.282 3.328 3.283 1.00 0.00 C ATOM 534 C GLY A 36 -2.168 4.548 3.542 1.00 0.00 C ATOM 535 O GLY A 36 -1.690 5.681 3.533 1.00 0.00 O ATOM 0 H GLY A 36 -1.906 1.351 3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.242 3.578 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.337 3.051 2.230 1.00 0.00 H new ATOM 539 N CYS A 37 -3.445 4.275 3.766 1.00 0.00 N ATOM 540 CA CYS A 37 -4.403 5.336 4.027 1.00 0.00 C ATOM 541 C CYS A 37 -4.070 5.961 5.383 1.00 0.00 C ATOM 542 O CYS A 37 -3.750 7.147 5.461 1.00 0.00 O ATOM 543 CB CYS A 37 -5.844 4.823 3.974 1.00 0.00 C ATOM 544 SG CYS A 37 -6.931 6.088 3.223 1.00 0.00 S ATOM 0 H CYS A 37 -3.839 3.334 3.772 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.328 6.096 3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.890 3.902 3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.191 4.584 4.979 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.151 5.642 3.181 1.00 0.00 H new ATOM 550 N LEU A 38 -4.156 5.137 6.416 1.00 0.00 N ATOM 551 CA LEU A 38 -3.867 5.595 7.765 1.00 0.00 C ATOM 552 C LEU A 38 -2.663 6.538 7.731 1.00 0.00 C ATOM 553 O LEU A 38 -2.715 7.637 8.281 1.00 0.00 O ATOM 554 CB LEU A 38 -3.690 4.404 8.708 1.00 0.00 C ATOM 555 CG LEU A 38 -3.592 4.738 10.199 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.936 4.522 10.898 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.465 3.946 10.865 1.00 0.00 C ATOM 0 H LEU A 38 -4.422 4.155 6.347 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.707 6.164 8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.529 3.723 8.563 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.788 3.866 8.416 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.344 5.795 10.297 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.839 4.766 11.956 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.690 5.166 10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.238 3.480 10.792 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.417 4.202 11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.658 2.879 10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.516 4.193 10.389 1.00 0.00 H new ATOM 569 N ALA A 39 -1.606 6.074 7.081 1.00 0.00 N ATOM 570 CA ALA A 39 -0.390 6.862 6.969 1.00 0.00 C ATOM 571 C ALA A 39 -0.726 8.225 6.360 1.00 0.00 C ATOM 572 O ALA A 39 -0.574 9.256 7.014 1.00 0.00 O ATOM 573 CB ALA A 39 0.643 6.093 6.144 1.00 0.00 C ATOM 0 H ALA A 39 -1.566 5.162 6.626 1.00 0.00 H new ATOM 0 HA ALA A 39 0.045 7.038 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.555 6.684 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.868 5.146 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.243 5.900 5.149 1.00 0.00 H new ATOM 579 N GLY A 40 -1.176 8.186 5.115 1.00 0.00 N ATOM 580 CA GLY A 40 -1.535 9.406 4.410 1.00 0.00 C ATOM 581 C GLY A 40 -2.645 10.158 5.146 1.00 0.00 C ATOM 582 O GLY A 40 -2.381 11.135 5.845 1.00 0.00 O ATOM 0 H GLY A 40 -1.301 7.329 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.658 10.047 4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.864 9.163 3.400 1.00 0.00 H new ATOM 586 N TYR A 41 -3.865 9.674 4.964 1.00 0.00 N ATOM 587 CA TYR A 41 -5.017 10.288 5.602 1.00 0.00 C ATOM 588 C TYR A 41 -4.684 10.727 7.030 1.00 0.00 C ATOM 589 O TYR A 41 -4.783 11.908 7.359 1.00 0.00 O ATOM 590 CB TYR A 41 -6.098 9.206 5.653 1.00 0.00 C ATOM 591 CG TYR A 41 -7.429 9.683 6.238 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.126 10.704 5.624 1.00 0.00 C ATOM 593 CD2 TYR A 41 -7.932 9.093 7.379 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.379 11.153 6.174 1.00 0.00 C ATOM 595 CE2 TYR A 41 -9.184 9.542 7.930 1.00 0.00 C ATOM 596 CZ TYR A 41 -9.846 10.550 7.300 1.00 0.00 C ATOM 597 OH TYR A 41 -11.029 10.974 7.820 1.00 0.00 O ATOM 0 H TYR A 41 -4.081 8.863 4.384 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.336 11.172 5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.270 8.831 4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.731 8.368 6.246 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.732 11.166 4.731 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.386 8.294 7.859 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.935 11.950 5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.589 9.089 8.823 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.239 10.453 8.623 1.00 0.00 H new ATOM 607 N GLY A 42 -4.296 9.752 7.839 1.00 0.00 N ATOM 608 CA GLY A 42 -3.948 10.023 9.224 1.00 0.00 C ATOM 609 C GLY A 42 -2.949 11.177 9.322 1.00 0.00 C ATOM 610 O GLY A 42 -3.163 12.126 10.076 1.00 0.00 O ATOM 0 H GLY A 42 -4.215 8.774 7.562 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.848 10.268 9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.521 9.128 9.677 1.00 0.00 H new ATOM 614 N ALA A 43 -1.879 11.059 8.549 1.00 0.00 N ATOM 615 CA ALA A 43 -0.846 12.082 8.540 1.00 0.00 C ATOM 616 C ALA A 43 -1.486 13.444 8.267 1.00 0.00 C ATOM 617 O ALA A 43 -1.015 14.466 8.764 1.00 0.00 O ATOM 618 CB ALA A 43 0.220 11.720 7.505 1.00 0.00 C ATOM 0 H ALA A 43 -1.705 10.271 7.925 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.352 12.139 9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.995 12.486 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.664 10.758 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.238 11.657 6.518 1.00 0.00 H new ATOM 624 N TYR A 44 -2.550 13.415 7.477 1.00 0.00 N ATOM 625 CA TYR A 44 -3.259 14.636 7.132 1.00 0.00 C ATOM 626 C TYR A 44 -4.174 15.080 8.275 1.00 0.00 C ATOM 627 O TYR A 44 -4.423 16.272 8.448 1.00 0.00 O ATOM 628 CB TYR A 44 -4.116 14.294 5.912 1.00 0.00 C ATOM 629 CG TYR A 44 -4.470 15.503 5.042 1.00 0.00 C ATOM 630 CD1 TYR A 44 -3.524 16.045 4.196 1.00 0.00 C ATOM 631 CD2 TYR A 44 -5.735 16.051 5.105 1.00 0.00 C ATOM 632 CE1 TYR A 44 -3.857 17.182 3.378 1.00 0.00 C ATOM 633 CE2 TYR A 44 -6.068 17.188 4.286 1.00 0.00 C ATOM 634 CZ TYR A 44 -5.113 17.697 3.463 1.00 0.00 C ATOM 635 OH TYR A 44 -5.427 18.771 2.690 1.00 0.00 O ATOM 0 H TYR A 44 -2.938 12.566 7.066 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.557 15.446 6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.586 13.563 5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.038 13.820 6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.534 15.616 4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.475 15.628 5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.126 17.616 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.054 17.626 4.325 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.358 19.031 2.854 1.00 0.00 H new ATOM 645 N ARG A 45 -4.649 14.098 9.026 1.00 0.00 N ATOM 646 CA ARG A 45 -5.531 14.373 10.148 1.00 0.00 C ATOM 647 C ARG A 45 -4.730 14.918 11.332 1.00 0.00 C ATOM 648 O ARG A 45 -5.120 15.910 11.946 1.00 0.00 O ATOM 649 CB ARG A 45 -6.277 13.110 10.584 1.00 0.00 C ATOM 650 CG ARG A 45 -7.660 13.038 9.933 1.00 0.00 C ATOM 651 CD ARG A 45 -8.689 12.441 10.896 1.00 0.00 C ATOM 652 NE ARG A 45 -8.541 10.969 10.945 1.00 0.00 N ATOM 653 CZ ARG A 45 -9.190 10.178 11.810 1.00 0.00 C ATOM 654 NH1 ARG A 45 -10.035 10.712 12.703 1.00 0.00 N ATOM 655 NH2 ARG A 45 -8.994 8.853 11.783 1.00 0.00 N ATOM 0 H ARG A 45 -4.440 13.110 8.880 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.258 15.117 9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.697 12.228 10.312 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.381 13.101 11.669 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.976 14.036 9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.609 12.432 9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.554 12.862 11.892 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.697 12.703 10.573 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.906 10.530 10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.184 11.721 12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.529 10.110 13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.351 8.446 11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.488 8.251 12.442 1.00 0.00 H new ATOM 669 N VAL A 46 -3.624 14.245 11.617 1.00 0.00 N ATOM 670 CA VAL A 46 -2.765 14.650 12.717 1.00 0.00 C ATOM 671 C VAL A 46 -1.870 15.804 12.261 1.00 0.00 C ATOM 672 O VAL A 46 -1.508 16.666 13.060 1.00 0.00 O ATOM 673 CB VAL A 46 -1.973 13.446 13.232 1.00 0.00 C ATOM 674 CG1 VAL A 46 -1.011 12.925 12.162 1.00 0.00 C ATOM 675 CG2 VAL A 46 -1.224 13.793 14.520 1.00 0.00 C ATOM 0 H VAL A 46 -3.304 13.423 11.106 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.361 15.013 13.554 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.683 12.651 13.461 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.460 12.070 12.553 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.577 12.621 11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.310 13.713 11.888 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.669 12.920 14.865 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.530 14.611 14.328 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.938 14.095 15.286 1.00 0.00 H new ATOM 685 N SER A 47 -1.539 15.783 10.978 1.00 0.00 N ATOM 686 CA SER A 47 -0.694 16.817 10.407 1.00 0.00 C ATOM 687 C SER A 47 0.415 17.192 11.393 1.00 0.00 C ATOM 688 O SER A 47 0.246 18.097 12.207 1.00 0.00 O ATOM 689 CB SER A 47 -1.513 18.055 10.034 1.00 0.00 C ATOM 690 OG SER A 47 -1.356 18.406 8.662 1.00 0.00 O ATOM 0 H SER A 47 -1.841 15.066 10.318 1.00 0.00 H new ATOM 0 HA SER A 47 -0.243 16.424 9.496 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.567 17.869 10.242 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.208 18.894 10.660 1.00 0.00 H new ATOM 0 HG SER A 47 -1.896 19.200 8.464 1.00 0.00 H new ATOM 696 N ASN A 48 1.524 16.475 11.287 1.00 0.00 N ATOM 697 CA ASN A 48 2.660 16.720 12.159 1.00 0.00 C ATOM 698 C ASN A 48 3.896 16.022 11.589 1.00 0.00 C ATOM 699 O ASN A 48 4.982 16.599 11.561 1.00 0.00 O ATOM 700 CB ASN A 48 2.407 16.164 13.562 1.00 0.00 C ATOM 701 CG ASN A 48 2.489 17.272 14.614 1.00 0.00 C ATOM 702 OD1 ASN A 48 1.500 17.881 14.989 1.00 0.00 O ATOM 703 ND2 ASN A 48 3.718 17.498 15.068 1.00 0.00 N ATOM 0 H ASN A 48 1.660 15.724 10.610 1.00 0.00 H new ATOM 0 HA ASN A 48 2.812 17.798 12.220 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.424 15.694 13.599 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.139 15.389 13.787 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.877 18.218 15.773 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.502 16.952 14.711 1.00 0.00 H new ATOM 710 N ASP A 49 3.689 14.790 11.148 1.00 0.00 N ATOM 711 CA ASP A 49 4.773 14.006 10.580 1.00 0.00 C ATOM 712 C ASP A 49 4.498 13.764 9.095 1.00 0.00 C ATOM 713 O ASP A 49 3.665 12.929 8.742 1.00 0.00 O ATOM 714 CB ASP A 49 4.888 12.645 11.268 1.00 0.00 C ATOM 715 CG ASP A 49 6.297 12.049 11.291 1.00 0.00 C ATOM 716 OD1 ASP A 49 7.067 12.505 12.221 1.00 0.00 O ATOM 717 OD2 ASP A 49 6.642 11.193 10.463 1.00 0.00 O ATOM 0 H ASP A 49 2.787 14.315 11.172 1.00 0.00 H new ATOM 0 HA ASP A 49 5.700 14.561 10.722 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.534 12.743 12.294 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.221 11.944 10.766 1.00 0.00 H new ATOM 780 N VAL A 53 3.357 11.534 -0.173 1.00 0.00 N ATOM 781 CA VAL A 53 4.522 11.129 -0.942 1.00 0.00 C ATOM 782 C VAL A 53 5.522 10.433 -0.017 1.00 0.00 C ATOM 783 O VAL A 53 5.574 9.205 0.036 1.00 0.00 O ATOM 784 CB VAL A 53 5.118 12.338 -1.666 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.378 11.947 -2.440 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.086 12.988 -2.589 1.00 0.00 C ATOM 0 HA VAL A 53 4.240 10.412 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 53 5.403 13.073 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.782 12.824 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.122 11.552 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.129 11.185 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.535 13.845 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.756 12.263 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.230 13.320 -2.001 1.00 0.00 H new ATOM 796 N LYS A 54 6.291 11.248 0.690 1.00 0.00 N ATOM 797 CA LYS A 54 7.286 10.725 1.611 1.00 0.00 C ATOM 798 C LYS A 54 6.646 9.651 2.492 1.00 0.00 C ATOM 799 O LYS A 54 7.187 8.555 2.633 1.00 0.00 O ATOM 800 CB LYS A 54 7.934 11.864 2.402 1.00 0.00 C ATOM 801 CG LYS A 54 9.198 12.368 1.702 1.00 0.00 C ATOM 802 CD LYS A 54 10.304 12.667 2.716 1.00 0.00 C ATOM 803 CE LYS A 54 11.687 12.504 2.083 1.00 0.00 C ATOM 804 NZ LYS A 54 11.963 13.617 1.147 1.00 0.00 N ATOM 0 H LYS A 54 6.245 12.266 0.644 1.00 0.00 H new ATOM 0 HA LYS A 54 8.097 10.245 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.224 12.684 2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.183 11.519 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.546 11.620 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.968 13.269 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.191 13.683 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.210 11.997 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.449 12.478 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.741 11.553 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.906 13.491 0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.246 13.623 0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.932 14.520 1.662 1.00 0.00 H new ATOM 818 N VAL A 55 5.503 10.003 3.063 1.00 0.00 N ATOM 819 CA VAL A 55 4.783 9.082 3.926 1.00 0.00 C ATOM 820 C VAL A 55 4.817 7.681 3.312 1.00 0.00 C ATOM 821 O VAL A 55 5.297 6.736 3.937 1.00 0.00 O ATOM 822 CB VAL A 55 3.362 9.594 4.168 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.504 8.528 4.853 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.378 10.890 4.981 1.00 0.00 C ATOM 0 H VAL A 55 5.058 10.913 2.945 1.00 0.00 H new ATOM 0 HA VAL A 55 5.263 9.020 4.903 1.00 0.00 H new ATOM 0 HB VAL A 55 2.915 9.812 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.499 8.918 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.453 7.641 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.948 8.265 5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.356 11.233 5.139 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.853 10.709 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.937 11.653 4.439 1.00 0.00 H new ATOM 834 N SER A 56 4.302 7.591 2.094 1.00 0.00 N ATOM 835 CA SER A 56 4.268 6.321 1.388 1.00 0.00 C ATOM 836 C SER A 56 5.635 5.640 1.469 1.00 0.00 C ATOM 837 O SER A 56 5.722 4.445 1.746 1.00 0.00 O ATOM 838 CB SER A 56 3.856 6.514 -0.072 1.00 0.00 C ATOM 839 OG SER A 56 2.559 5.988 -0.336 1.00 0.00 O ATOM 0 H SER A 56 3.905 8.377 1.578 1.00 0.00 H new ATOM 0 HA SER A 56 3.524 5.684 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.873 7.576 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.584 6.027 -0.721 1.00 0.00 H new ATOM 0 HG SER A 56 2.333 6.133 -1.278 1.00 0.00 H new ATOM 845 N LEU A 57 6.670 6.430 1.223 1.00 0.00 N ATOM 846 CA LEU A 57 8.029 5.918 1.265 1.00 0.00 C ATOM 847 C LEU A 57 8.275 5.246 2.617 1.00 0.00 C ATOM 848 O LEU A 57 8.875 4.174 2.682 1.00 0.00 O ATOM 849 CB LEU A 57 9.030 7.028 0.939 1.00 0.00 C ATOM 850 CG LEU A 57 9.846 6.841 -0.342 1.00 0.00 C ATOM 851 CD1 LEU A 57 10.741 5.604 -0.246 1.00 0.00 C ATOM 852 CD2 LEU A 57 8.935 6.795 -1.571 1.00 0.00 C ATOM 0 H LEU A 57 6.595 7.421 0.994 1.00 0.00 H new ATOM 0 HA LEU A 57 8.173 5.156 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.486 7.970 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.722 7.123 1.776 1.00 0.00 H new ATOM 0 HG LEU A 57 10.501 7.704 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.310 5.494 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.428 5.716 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.123 4.719 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.540 6.661 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.238 5.962 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.377 7.728 -1.646 1.00 0.00 H new ATOM 864 N PHE A 58 7.798 5.904 3.664 1.00 0.00 N ATOM 865 CA PHE A 58 7.959 5.383 5.011 1.00 0.00 C ATOM 866 C PHE A 58 7.053 4.173 5.243 1.00 0.00 C ATOM 867 O PHE A 58 7.327 3.344 6.109 1.00 0.00 O ATOM 868 CB PHE A 58 7.554 6.501 5.974 1.00 0.00 C ATOM 869 CG PHE A 58 7.641 6.112 7.451 1.00 0.00 C ATOM 870 CD1 PHE A 58 6.715 5.274 7.989 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.645 6.604 8.226 1.00 0.00 C ATOM 872 CE1 PHE A 58 6.796 4.913 9.360 1.00 0.00 C ATOM 873 CE2 PHE A 58 8.725 6.243 9.597 1.00 0.00 C ATOM 874 CZ PHE A 58 7.799 5.405 10.135 1.00 0.00 C ATOM 0 H PHE A 58 7.300 6.793 3.607 1.00 0.00 H new ATOM 0 HA PHE A 58 8.990 5.066 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.193 7.367 5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.533 6.808 5.749 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.918 4.883 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.381 7.269 7.799 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.061 4.247 9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.522 6.634 10.213 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.860 5.130 11.178 1.00 0.00 H new ATOM 884 N THR A 59 5.990 4.109 4.454 1.00 0.00 N ATOM 885 CA THR A 59 5.042 3.014 4.562 1.00 0.00 C ATOM 886 C THR A 59 5.637 1.733 3.975 1.00 0.00 C ATOM 887 O THR A 59 5.804 0.741 4.683 1.00 0.00 O ATOM 888 CB THR A 59 3.741 3.447 3.883 1.00 0.00 C ATOM 889 OG1 THR A 59 3.116 4.299 4.840 1.00 0.00 O ATOM 890 CG2 THR A 59 2.754 2.289 3.716 1.00 0.00 C ATOM 0 H THR A 59 5.765 4.799 3.737 1.00 0.00 H new ATOM 0 HA THR A 59 4.821 2.784 5.604 1.00 0.00 H new ATOM 0 HB THR A 59 3.967 3.876 2.907 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.265 4.627 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.848 2.650 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.208 1.509 3.105 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.502 1.882 4.695 1.00 0.00 H new ATOM 898 N ALA A 60 5.940 1.796 2.687 1.00 0.00 N ATOM 899 CA ALA A 60 6.513 0.653 1.996 1.00 0.00 C ATOM 900 C ALA A 60 7.834 0.268 2.665 1.00 0.00 C ATOM 901 O ALA A 60 8.128 -0.915 2.831 1.00 0.00 O ATOM 902 CB ALA A 60 6.685 0.986 0.513 1.00 0.00 C ATOM 0 H ALA A 60 5.800 2.621 2.103 1.00 0.00 H new ATOM 0 HA ALA A 60 5.848 -0.208 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.115 0.129 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.714 1.223 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.349 1.844 0.407 1.00 0.00 H new ATOM 908 N PHE A 61 8.594 1.289 3.031 1.00 0.00 N ATOM 909 CA PHE A 61 9.877 1.073 3.678 1.00 0.00 C ATOM 910 C PHE A 61 9.706 0.306 4.991 1.00 0.00 C ATOM 911 O PHE A 61 10.371 -0.705 5.215 1.00 0.00 O ATOM 912 CB PHE A 61 10.464 2.453 3.980 1.00 0.00 C ATOM 913 CG PHE A 61 11.735 2.416 4.831 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.933 2.136 4.252 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.667 2.662 6.167 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.113 2.102 5.042 1.00 0.00 C ATOM 917 CE2 PHE A 61 12.846 2.628 6.957 1.00 0.00 C ATOM 918 CZ PHE A 61 14.044 2.348 6.378 1.00 0.00 C ATOM 0 H PHE A 61 8.346 2.269 2.892 1.00 0.00 H new ATOM 0 HA PHE A 61 10.528 0.488 3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.684 2.957 3.039 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.712 3.052 4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.987 1.939 3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.715 2.883 6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.065 1.881 4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.791 2.824 8.018 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.941 2.321 6.979 1.00 0.00 H new ATOM 928 N PHE A 62 8.812 0.815 5.825 1.00 0.00 N ATOM 929 CA PHE A 62 8.546 0.191 7.110 1.00 0.00 C ATOM 930 C PHE A 62 7.925 -1.195 6.927 1.00 0.00 C ATOM 931 O PHE A 62 8.189 -2.106 7.711 1.00 0.00 O ATOM 932 CB PHE A 62 7.550 1.090 7.846 1.00 0.00 C ATOM 933 CG PHE A 62 7.058 0.514 9.176 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.773 0.725 10.314 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.907 -0.207 9.220 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.316 0.191 11.548 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.450 -0.741 10.454 1.00 0.00 C ATOM 938 CZ PHE A 62 6.165 -0.531 11.592 1.00 0.00 C ATOM 0 H PHE A 62 8.262 1.653 5.636 1.00 0.00 H new ATOM 0 HA PHE A 62 9.476 0.073 7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 62 8.017 2.057 8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.691 1.269 7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.688 1.298 10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.340 -0.374 8.316 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.883 0.359 12.452 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.535 -1.314 10.489 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.818 -0.938 12.530 1.00 0.00 H new ATOM 948 N LEU A 63 7.111 -1.312 5.888 1.00 0.00 N ATOM 949 CA LEU A 63 6.450 -2.572 5.593 1.00 0.00 C ATOM 950 C LEU A 63 7.506 -3.642 5.307 1.00 0.00 C ATOM 951 O LEU A 63 7.702 -4.555 6.107 1.00 0.00 O ATOM 952 CB LEU A 63 5.435 -2.393 4.462 1.00 0.00 C ATOM 953 CG LEU A 63 3.981 -2.719 4.809 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.802 -4.215 5.073 1.00 0.00 C ATOM 955 CD2 LEU A 63 3.493 -1.867 5.983 1.00 0.00 C ATOM 0 H LEU A 63 6.894 -0.555 5.240 1.00 0.00 H new ATOM 0 HA LEU A 63 5.876 -2.912 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.483 -1.360 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.738 -3.022 3.625 1.00 0.00 H new ATOM 0 HG LEU A 63 3.360 -2.468 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.760 -4.419 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.083 -4.778 4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.436 -4.516 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.457 -2.119 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.113 -2.063 6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.561 -0.811 5.720 1.00 0.00 H new ATOM 967 N ALA A 64 8.158 -3.493 4.163 1.00 0.00 N ATOM 968 CA ALA A 64 9.189 -4.436 3.761 1.00 0.00 C ATOM 969 C ALA A 64 10.148 -4.665 4.931 1.00 0.00 C ATOM 970 O ALA A 64 10.489 -5.804 5.245 1.00 0.00 O ATOM 971 CB ALA A 64 9.904 -3.910 2.515 1.00 0.00 C ATOM 0 H ALA A 64 7.993 -2.734 3.502 1.00 0.00 H new ATOM 0 HA ALA A 64 8.749 -5.399 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.677 -4.617 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.184 -3.792 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.361 -2.946 2.738 1.00 0.00 H new ATOM 977 N THR A 65 10.556 -3.564 5.545 1.00 0.00 N ATOM 978 CA THR A 65 11.469 -3.630 6.673 1.00 0.00 C ATOM 979 C THR A 65 10.949 -4.614 7.723 1.00 0.00 C ATOM 980 O THR A 65 11.719 -5.389 8.288 1.00 0.00 O ATOM 981 CB THR A 65 11.659 -2.211 7.212 1.00 0.00 C ATOM 982 OG1 THR A 65 12.538 -1.598 6.272 1.00 0.00 O ATOM 983 CG2 THR A 65 12.442 -2.184 8.527 1.00 0.00 C ATOM 0 H THR A 65 10.271 -2.621 5.282 1.00 0.00 H new ATOM 0 HA THR A 65 12.444 -4.011 6.370 1.00 0.00 H new ATOM 0 HB THR A 65 10.685 -1.745 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.013 -1.137 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.549 -1.154 8.866 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.906 -2.760 9.281 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.429 -2.619 8.372 1.00 0.00 H new ATOM 991 N ILE A 66 9.646 -4.551 7.952 1.00 0.00 N ATOM 992 CA ILE A 66 9.013 -5.426 8.924 1.00 0.00 C ATOM 993 C ILE A 66 8.976 -6.852 8.371 1.00 0.00 C ATOM 994 O ILE A 66 9.013 -7.818 9.132 1.00 0.00 O ATOM 995 CB ILE A 66 7.638 -4.884 9.319 1.00 0.00 C ATOM 996 CG1 ILE A 66 7.442 -4.940 10.836 1.00 0.00 C ATOM 997 CG2 ILE A 66 6.524 -5.616 8.569 1.00 0.00 C ATOM 998 CD1 ILE A 66 7.405 -3.534 11.436 1.00 0.00 C ATOM 0 H ILE A 66 9.011 -3.907 7.481 1.00 0.00 H new ATOM 0 HA ILE A 66 9.594 -5.455 9.845 1.00 0.00 H new ATOM 0 HB ILE A 66 7.587 -3.835 9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.514 -5.462 11.067 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.251 -5.512 11.290 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.557 -5.211 8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.658 -5.480 7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.562 -6.679 8.808 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.265 -3.602 12.515 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.344 -3.023 11.224 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.580 -2.973 10.998 1.00 0.00 H new ATOM 1010 N MET A 67 8.903 -6.939 7.051 1.00 0.00 N ATOM 1011 CA MET A 67 8.860 -8.231 6.387 1.00 0.00 C ATOM 1012 C MET A 67 10.248 -8.873 6.347 1.00 0.00 C ATOM 1013 O MET A 67 10.452 -9.955 6.897 1.00 0.00 O ATOM 1014 CB MET A 67 8.338 -8.055 4.960 1.00 0.00 C ATOM 1015 CG MET A 67 6.918 -8.606 4.823 1.00 0.00 C ATOM 1016 SD MET A 67 5.734 -7.386 5.368 1.00 0.00 S ATOM 1017 CE MET A 67 4.240 -8.362 5.324 1.00 0.00 C ATOM 0 H MET A 67 8.873 -6.136 6.423 1.00 0.00 H new ATOM 0 HA MET A 67 8.193 -8.885 6.949 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.349 -6.998 4.693 1.00 0.00 H new ATOM 0 HB3 MET A 67 8.999 -8.567 4.261 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.723 -8.876 3.785 1.00 0.00 H new ATOM 0 HG3 MET A 67 6.813 -9.516 5.414 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.395 -7.749 5.638 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.070 -8.721 4.309 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.341 -9.213 5.998 1.00 0.00 H new ATOM 1027 N GLY A 68 11.168 -8.180 5.692 1.00 0.00 N ATOM 1028 CA GLY A 68 12.531 -8.670 5.573 1.00 0.00 C ATOM 1029 C GLY A 68 13.532 -7.633 6.087 1.00 0.00 C ATOM 1030 O GLY A 68 13.453 -7.205 7.237 1.00 0.00 O ATOM 0 H GLY A 68 10.996 -7.283 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.639 -9.596 6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.747 -8.905 4.531 1.00 0.00 H new ATOM 1231 N PRO A 79 7.088 -10.380 -1.935 1.00 0.00 N ATOM 1232 CA PRO A 79 6.909 -8.992 -1.544 1.00 0.00 C ATOM 1233 C PRO A 79 6.793 -8.086 -2.772 1.00 0.00 C ATOM 1234 O PRO A 79 6.373 -6.936 -2.662 1.00 0.00 O ATOM 1235 CB PRO A 79 8.117 -8.668 -0.679 1.00 0.00 C ATOM 1236 CG PRO A 79 9.154 -9.733 -0.997 1.00 0.00 C ATOM 1237 CD PRO A 79 8.457 -10.852 -1.753 1.00 0.00 C ATOM 0 HA PRO A 79 5.984 -8.827 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.500 -7.672 -0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.855 -8.681 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.961 -9.313 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.603 -10.114 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.940 -11.044 -2.711 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.483 -11.785 -1.191 1.00 0.00 H new ATOM 1245 N ALA A 80 7.174 -8.640 -3.914 1.00 0.00 N ATOM 1246 CA ALA A 80 7.118 -7.897 -5.161 1.00 0.00 C ATOM 1247 C ALA A 80 5.814 -7.099 -5.216 1.00 0.00 C ATOM 1248 O ALA A 80 5.835 -5.878 -5.360 1.00 0.00 O ATOM 1249 CB ALA A 80 7.260 -8.864 -6.338 1.00 0.00 C ATOM 0 H ALA A 80 7.523 -9.595 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 80 7.942 -7.186 -5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.218 -8.307 -7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.215 -9.384 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.448 -9.591 -6.312 1.00 0.00 H new ATOM 1255 N GLY A 81 4.710 -7.822 -5.099 1.00 0.00 N ATOM 1256 CA GLY A 81 3.399 -7.196 -5.133 1.00 0.00 C ATOM 1257 C GLY A 81 3.402 -5.873 -4.366 1.00 0.00 C ATOM 1258 O GLY A 81 2.992 -4.842 -4.897 1.00 0.00 O ATOM 0 H GLY A 81 4.696 -8.835 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.103 -7.020 -6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.659 -7.870 -4.700 1.00 0.00 H new ATOM 1262 N LEU A 82 3.870 -5.944 -3.128 1.00 0.00 N ATOM 1263 CA LEU A 82 3.933 -4.765 -2.282 1.00 0.00 C ATOM 1264 C LEU A 82 4.558 -3.611 -3.069 1.00 0.00 C ATOM 1265 O LEU A 82 4.001 -2.515 -3.117 1.00 0.00 O ATOM 1266 CB LEU A 82 4.660 -5.082 -0.974 1.00 0.00 C ATOM 1267 CG LEU A 82 4.121 -4.386 0.278 1.00 0.00 C ATOM 1268 CD1 LEU A 82 2.871 -5.094 0.803 1.00 0.00 C ATOM 1269 CD2 LEU A 82 5.207 -4.269 1.350 1.00 0.00 C ATOM 0 H LEU A 82 4.209 -6.801 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 82 2.930 -4.449 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.622 -6.159 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.710 -4.814 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 82 3.826 -3.372 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.508 -4.580 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.097 -5.082 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.116 -6.126 1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.798 -3.771 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.555 -5.265 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.043 -3.688 0.960 1.00 0.00 H new ATOM 1281 N VAL A 83 5.705 -3.896 -3.666 1.00 0.00 N ATOM 1282 CA VAL A 83 6.412 -2.896 -4.448 1.00 0.00 C ATOM 1283 C VAL A 83 5.488 -2.370 -5.548 1.00 0.00 C ATOM 1284 O VAL A 83 5.494 -1.178 -5.851 1.00 0.00 O ATOM 1285 CB VAL A 83 7.717 -3.482 -4.991 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.385 -2.516 -5.972 1.00 0.00 C ATOM 1287 CG2 VAL A 83 8.668 -3.852 -3.851 1.00 0.00 C ATOM 0 H VAL A 83 6.163 -4.806 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 83 6.689 -2.047 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 83 7.474 -4.396 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.310 -2.956 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.713 -2.325 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.608 -1.578 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.588 -4.266 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.901 -2.961 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.194 -4.593 -3.207 1.00 0.00 H new ATOM 1297 N ALA A 84 4.717 -3.285 -6.117 1.00 0.00 N ATOM 1298 CA ALA A 84 3.791 -2.929 -7.178 1.00 0.00 C ATOM 1299 C ALA A 84 2.732 -1.973 -6.624 1.00 0.00 C ATOM 1300 O ALA A 84 2.216 -1.124 -7.349 1.00 0.00 O ATOM 1301 CB ALA A 84 3.177 -4.200 -7.769 1.00 0.00 C ATOM 0 H ALA A 84 4.715 -4.273 -5.863 1.00 0.00 H new ATOM 0 HA ALA A 84 4.312 -2.414 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.482 -3.932 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.968 -4.831 -8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.643 -4.743 -6.989 1.00 0.00 H new ATOM 1307 N GLY A 85 2.438 -2.144 -5.343 1.00 0.00 N ATOM 1308 CA GLY A 85 1.450 -1.308 -4.684 1.00 0.00 C ATOM 1309 C GLY A 85 1.977 0.116 -4.491 1.00 0.00 C ATOM 1310 O GLY A 85 1.321 1.082 -4.877 1.00 0.00 O ATOM 0 H GLY A 85 2.867 -2.850 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.535 -1.284 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.192 -1.738 -3.716 1.00 0.00 H new ATOM 1314 N LEU A 86 3.157 0.200 -3.894 1.00 0.00 N ATOM 1315 CA LEU A 86 3.780 1.488 -3.645 1.00 0.00 C ATOM 1316 C LEU A 86 3.870 2.268 -4.958 1.00 0.00 C ATOM 1317 O LEU A 86 3.558 3.457 -5.001 1.00 0.00 O ATOM 1318 CB LEU A 86 5.127 1.306 -2.944 1.00 0.00 C ATOM 1319 CG LEU A 86 5.672 2.532 -2.208 1.00 0.00 C ATOM 1320 CD1 LEU A 86 6.192 3.578 -3.196 1.00 0.00 C ATOM 1321 CD2 LEU A 86 4.623 3.112 -1.258 1.00 0.00 C ATOM 0 H LEU A 86 3.698 -0.604 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 86 3.170 2.080 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.034 0.489 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.862 0.997 -3.687 1.00 0.00 H new ATOM 0 HG LEU A 86 6.519 2.216 -1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.574 4.439 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.993 3.146 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.380 3.896 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.036 3.982 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.742 3.409 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.343 2.359 -0.522 1.00 0.00 H new ATOM 1333 N SER A 87 4.299 1.567 -5.997 1.00 0.00 N ATOM 1334 CA SER A 87 4.435 2.179 -7.308 1.00 0.00 C ATOM 1335 C SER A 87 3.084 2.728 -7.772 1.00 0.00 C ATOM 1336 O SER A 87 2.945 3.928 -8.005 1.00 0.00 O ATOM 1337 CB SER A 87 4.979 1.178 -8.330 1.00 0.00 C ATOM 1338 OG SER A 87 5.830 1.802 -9.287 1.00 0.00 O ATOM 0 H SER A 87 4.557 0.581 -5.958 1.00 0.00 H new ATOM 0 HA SER A 87 5.147 3.001 -7.229 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.530 0.394 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.147 0.696 -8.844 1.00 0.00 H new ATOM 0 HG SER A 87 6.158 1.130 -9.920 1.00 0.00 H new ATOM 1344 N LEU A 88 2.123 1.824 -7.891 1.00 0.00 N ATOM 1345 CA LEU A 88 0.788 2.203 -8.323 1.00 0.00 C ATOM 1346 C LEU A 88 0.386 3.508 -7.633 1.00 0.00 C ATOM 1347 O LEU A 88 -0.123 4.424 -8.278 1.00 0.00 O ATOM 1348 CB LEU A 88 -0.196 1.055 -8.089 1.00 0.00 C ATOM 1349 CG LEU A 88 -1.260 0.853 -9.171 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -1.966 2.171 -9.498 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -0.657 0.201 -10.417 1.00 0.00 C ATOM 0 H LEU A 88 2.242 0.830 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 88 0.773 2.391 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.372 0.130 -7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.701 1.223 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.016 0.170 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.717 2.000 -10.269 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.449 2.557 -8.601 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.235 2.896 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.434 0.069 -11.170 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.131 0.839 -10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.238 -0.770 -10.153 1.00 0.00 H new ATOM 1363 N MET A 89 0.629 3.552 -6.332 1.00 0.00 N ATOM 1364 CA MET A 89 0.299 4.730 -5.548 1.00 0.00 C ATOM 1365 C MET A 89 0.988 5.975 -6.112 1.00 0.00 C ATOM 1366 O MET A 89 0.323 6.932 -6.506 1.00 0.00 O ATOM 1367 CB MET A 89 0.735 4.518 -4.097 1.00 0.00 C ATOM 1368 CG MET A 89 -0.420 3.977 -3.251 1.00 0.00 C ATOM 1369 SD MET A 89 -1.044 5.260 -2.179 1.00 0.00 S ATOM 1370 CE MET A 89 -2.792 4.911 -2.263 1.00 0.00 C ATOM 0 H MET A 89 1.051 2.790 -5.800 1.00 0.00 H new ATOM 0 HA MET A 89 -0.779 4.882 -5.593 1.00 0.00 H new ATOM 0 HB2 MET A 89 1.573 3.821 -4.063 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.087 5.461 -3.678 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.217 3.614 -3.899 1.00 0.00 H new ATOM 0 HG3 MET A 89 -0.080 3.129 -2.657 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.336 5.625 -1.645 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.130 4.994 -3.296 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.979 3.901 -1.900 1.00 0.00 H new ATOM 1380 N MET A 90 2.311 5.922 -6.131 1.00 0.00 N ATOM 1381 CA MET A 90 3.098 7.033 -6.639 1.00 0.00 C ATOM 1382 C MET A 90 2.490 7.590 -7.928 1.00 0.00 C ATOM 1383 O MET A 90 2.208 8.784 -8.020 1.00 0.00 O ATOM 1384 CB MET A 90 4.529 6.564 -6.910 1.00 0.00 C ATOM 1385 CG MET A 90 5.493 7.104 -5.852 1.00 0.00 C ATOM 1386 SD MET A 90 7.138 7.231 -6.533 1.00 0.00 S ATOM 1387 CE MET A 90 7.471 8.956 -6.219 1.00 0.00 C ATOM 0 H MET A 90 2.859 5.127 -5.803 1.00 0.00 H new ATOM 0 HA MET A 90 3.102 7.824 -5.889 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.563 5.475 -6.916 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.844 6.898 -7.898 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.157 8.082 -5.507 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.500 6.445 -4.984 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.467 9.207 -6.585 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.730 9.569 -6.733 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.420 9.147 -5.147 1.00 0.00 H new ATOM 1397 N ILE A 91 2.306 6.699 -8.891 1.00 0.00 N ATOM 1398 CA ILE A 91 1.737 7.087 -10.171 1.00 0.00 C ATOM 1399 C ILE A 91 0.427 7.842 -9.934 1.00 0.00 C ATOM 1400 O ILE A 91 0.234 8.937 -10.459 1.00 0.00 O ATOM 1401 CB ILE A 91 1.588 5.867 -11.082 1.00 0.00 C ATOM 1402 CG1 ILE A 91 2.953 5.269 -11.425 1.00 0.00 C ATOM 1403 CG2 ILE A 91 0.783 6.216 -12.337 1.00 0.00 C ATOM 1404 CD1 ILE A 91 3.669 6.107 -12.487 1.00 0.00 C ATOM 0 H ILE A 91 2.541 5.710 -8.811 1.00 0.00 H new ATOM 0 HA ILE A 91 2.407 7.768 -10.696 1.00 0.00 H new ATOM 0 HB ILE A 91 1.029 5.103 -10.542 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.566 5.215 -10.526 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.826 4.249 -11.787 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.691 5.332 -12.968 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.210 6.560 -12.048 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.294 7.005 -12.889 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.637 5.659 -12.712 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.065 6.139 -13.393 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.816 7.120 -12.113 1.00 0.00 H new ATOM 1416 N LEU A 92 -0.438 7.226 -9.142 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.724 7.826 -8.829 1.00 0.00 C ATOM 1418 C LEU A 92 -1.501 9.212 -8.222 1.00 0.00 C ATOM 1419 O LEU A 92 -2.333 10.104 -8.380 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.550 6.892 -7.942 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.722 6.183 -8.623 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -4.809 7.182 -9.023 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -3.243 5.350 -9.813 1.00 0.00 C ATOM 0 H LEU A 92 -0.274 6.318 -8.708 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.310 7.966 -9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.885 6.135 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.938 7.469 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.167 5.493 -7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.631 6.652 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.179 7.693 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.393 7.914 -9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.096 4.857 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.758 6.001 -10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.533 4.598 -9.469 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.373 9.350 -7.540 1.00 0.00 N ATOM 1436 CA ARG A 93 -0.030 10.613 -6.908 1.00 0.00 C ATOM 1437 C ARG A 93 0.449 11.618 -7.957 1.00 0.00 C ATOM 1438 O ARG A 93 0.271 12.824 -7.793 1.00 0.00 O ATOM 1439 CB ARG A 93 1.064 10.423 -5.856 1.00 0.00 C ATOM 1440 CG ARG A 93 0.704 9.294 -4.888 1.00 0.00 C ATOM 1441 CD ARG A 93 1.012 9.692 -3.443 1.00 0.00 C ATOM 1442 NE ARG A 93 0.069 9.020 -2.521 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.246 9.274 -2.475 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.781 10.186 -3.298 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -2.025 8.616 -1.606 1.00 0.00 N ATOM 0 H ARG A 93 0.315 8.608 -7.411 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.926 10.993 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.011 10.198 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.206 11.351 -5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.354 9.051 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.263 8.395 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 93 2.037 9.418 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.935 10.773 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 93 0.443 8.320 -1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.187 10.687 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.782 10.380 -3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.617 7.922 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.026 8.809 -1.571 1.00 0.00 H new ATOM 1459 N LEU A 94 1.048 11.084 -9.011 1.00 0.00 N ATOM 1460 CA LEU A 94 1.555 11.919 -10.087 1.00 0.00 C ATOM 1461 C LEU A 94 0.411 12.764 -10.653 1.00 0.00 C ATOM 1462 O LEU A 94 0.624 13.899 -11.076 1.00 0.00 O ATOM 1463 CB LEU A 94 2.268 11.066 -11.138 1.00 0.00 C ATOM 1464 CG LEU A 94 3.691 11.497 -11.499 1.00 0.00 C ATOM 1465 CD1 LEU A 94 3.731 12.972 -11.904 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.663 11.189 -10.359 1.00 0.00 C ATOM 0 H LEU A 94 1.194 10.083 -9.143 1.00 0.00 H new ATOM 0 HA LEU A 94 2.307 12.611 -9.709 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.301 10.037 -10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.667 11.068 -12.047 1.00 0.00 H new ATOM 0 HG LEU A 94 4.015 10.917 -12.363 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.754 13.253 -12.156 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.088 13.129 -12.770 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.380 13.587 -11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.667 11.505 -10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.353 11.725 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.663 10.117 -10.160 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.776 12.176 -10.643 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.954 12.860 -11.150 1.00 0.00 C ATOM 1480 C VAL A 95 -2.618 13.635 -10.011 1.00 0.00 C ATOM 1481 O VAL A 95 -2.923 14.818 -10.155 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.895 11.856 -11.819 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.259 12.488 -12.103 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.274 11.292 -13.099 1.00 0.00 C ATOM 0 H VAL A 95 -0.948 11.234 -10.292 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.675 13.584 -11.916 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.048 11.027 -11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.909 11.753 -12.579 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.709 12.818 -11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.133 13.344 -12.766 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.963 10.581 -13.555 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.077 12.106 -13.797 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.339 10.787 -12.858 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.824 12.937 -8.904 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.447 13.544 -7.741 1.00 0.00 C ATOM 1496 C LEU A 96 -2.855 14.938 -7.520 1.00 0.00 C ATOM 1497 O LEU A 96 -3.576 15.875 -7.180 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.324 12.624 -6.525 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.639 12.202 -5.866 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.371 13.411 -5.281 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.516 11.419 -6.845 1.00 0.00 C ATOM 0 H LEU A 96 -2.570 11.956 -8.788 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.517 13.674 -7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.788 11.725 -6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.710 13.125 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.407 11.534 -5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.302 13.084 -4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.742 13.889 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.591 14.123 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.444 11.131 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.743 12.043 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.986 10.524 -7.172 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.549 15.030 -7.722 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.853 16.293 -7.549 1.00 0.00 C ATOM 1515 C LEU A 97 -1.670 17.414 -8.195 1.00 0.00 C ATOM 1516 O LEU A 97 -1.940 18.434 -7.563 1.00 0.00 O ATOM 1517 CB LEU A 97 0.579 16.192 -8.079 1.00 0.00 C ATOM 1518 CG LEU A 97 1.651 15.830 -7.050 1.00 0.00 C ATOM 1519 CD1 LEU A 97 2.911 15.295 -7.734 1.00 0.00 C ATOM 1520 CD2 LEU A 97 1.956 17.017 -6.134 1.00 0.00 C ATOM 0 H LEU A 97 -0.955 14.250 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.761 16.535 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.599 15.446 -8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.846 17.147 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 97 1.262 15.029 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.657 15.045 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.662 14.402 -8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.313 16.056 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.721 16.732 -5.412 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.315 17.855 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.049 17.311 -5.605 1.00 0.00 H new ATOM 1532 N LEU A 98 -2.041 17.186 -9.447 1.00 0.00 N ATOM 1533 CA LEU A 98 -2.822 18.164 -10.185 1.00 0.00 C ATOM 1534 C LEU A 98 -4.241 18.212 -9.616 1.00 0.00 C ATOM 1535 O LEU A 98 -4.781 19.291 -9.377 1.00 0.00 O ATOM 1536 CB LEU A 98 -2.771 17.867 -11.685 1.00 0.00 C ATOM 1537 CG LEU A 98 -2.559 19.075 -12.601 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -1.087 19.215 -12.992 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -3.473 19.001 -13.826 1.00 0.00 C ATOM 0 H LEU A 98 -1.815 16.339 -9.968 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.397 19.160 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.968 17.153 -11.867 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.703 17.379 -11.970 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.832 19.974 -12.049 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.964 20.081 -13.643 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.483 19.347 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.763 18.317 -13.518 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.303 19.871 -14.460 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.255 18.093 -14.389 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.514 18.986 -13.503 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.804 17.030 -9.414 1.00 0.00 N ATOM 1552 CA LEU A 99 -6.150 16.924 -8.877 1.00 0.00 C ATOM 1553 C LEU A 99 -6.325 17.940 -7.747 1.00 0.00 C ATOM 1554 O LEU A 99 -6.960 17.646 -6.736 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.448 15.483 -8.459 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.920 15.066 -8.489 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -8.225 14.216 -9.724 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.315 14.356 -7.193 1.00 0.00 C ATOM 0 H LEU A 99 -4.353 16.137 -9.613 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.886 17.168 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.888 14.813 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.069 15.333 -7.448 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.528 15.967 -8.561 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.278 13.933 -9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.007 14.791 -10.624 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.608 13.317 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.366 14.070 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.702 13.464 -7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.159 15.027 -6.348 1.00 0.00 H new