USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 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 Set 1.1: A 52 GLN : amide:sc= -1.45 K(o=-1.4,f=-0.11) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 11 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000337) USER MOD Set 2.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.815 X(o=-0.81,f=-0.42) USER MOD Single : A 16 GLN : amide:sc= -0.0983 X(o=-0.098,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.82 USER MOD Single : A 20 TYR OH : rot 99:sc= 0.443 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 142:sc= -0.135 (180deg=-1.45!) USER MOD Single : A 42 GLN : amide:sc= -0.998 K(o=-1,f=-1.6) USER MOD Single : A 45 SER OG : rot -90:sc= 0.407 USER MOD Single : A 47 HIS : no HE2:sc= 0.311 K(o=0.31,f=-1.5) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.253 K(o=-0.25,f=-1.8!) USER MOD Single : A 64 SER OG : rot -100:sc= -0.0478 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.354 K(o=0.35,f=-2.1!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.41! USER MOD Single : A 89 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.8) USER MOD Single : A 104 CYS SG : rot -138:sc= 0.731 USER MOD Single : A 106 MET CE :methyl -157:sc= -0.335 (180deg=-1.21) USER MOD Single : A 114 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.459 -1.956 6.414 1.00 0.00 N ATOM 135 CA LYS A 11 -8.926 -0.759 5.775 1.00 0.00 C ATOM 136 C LYS A 11 -8.367 -1.109 4.402 1.00 0.00 C ATOM 137 O LYS A 11 -8.941 -0.745 3.378 1.00 0.00 O ATOM 138 CB LYS A 11 -7.833 -0.135 6.643 1.00 0.00 C ATOM 139 CG LYS A 11 -8.269 0.128 8.075 1.00 0.00 C ATOM 140 CD LYS A 11 -7.223 -0.343 9.071 1.00 0.00 C ATOM 141 CE LYS A 11 -7.864 -0.973 10.296 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.526 -0.234 11.543 1.00 0.00 N ATOM 0 HA LYS A 11 -9.733 -0.035 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.966 -0.796 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.514 0.804 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.449 1.194 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.213 -0.382 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.563 -1.066 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.604 0.501 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.946 -0.994 10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.534 -2.008 10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.997 -0.686 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.496 -0.250 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.849 0.751 11.461 1.00 0.00 H new ATOM 155 N TRP A 12 -7.251 -1.832 4.402 1.00 0.00 N ATOM 156 CA TRP A 12 -6.601 -2.265 3.165 1.00 0.00 C ATOM 157 C TRP A 12 -7.651 -2.709 2.145 1.00 0.00 C ATOM 158 O TRP A 12 -8.599 -3.415 2.491 1.00 0.00 O ATOM 159 CB TRP A 12 -5.620 -3.418 3.437 1.00 0.00 C ATOM 160 CG TRP A 12 -4.824 -3.289 4.711 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.737 -2.201 5.536 1.00 0.00 C ATOM 162 CD2 TRP A 12 -3.990 -4.297 5.298 1.00 0.00 C ATOM 163 NE1 TRP A 12 -3.914 -2.476 6.599 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.440 -3.754 6.475 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.657 -5.608 4.944 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.578 -4.475 7.297 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.801 -6.322 5.760 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.270 -5.755 6.925 1.00 0.00 C ATOM 0 H TRP A 12 -6.773 -2.133 5.251 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.042 -1.421 2.761 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.181 -4.352 3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.927 -3.491 2.599 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.243 -1.261 5.374 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.692 -1.832 7.358 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.062 -6.055 4.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.167 -4.039 8.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.537 -7.335 5.495 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.604 -6.340 7.542 1.00 0.00 H new ATOM 179 N ILE A 13 -7.493 -2.277 0.896 1.00 0.00 N ATOM 180 CA ILE A 13 -8.453 -2.621 -0.154 1.00 0.00 C ATOM 181 C ILE A 13 -7.776 -3.157 -1.416 1.00 0.00 C ATOM 182 O ILE A 13 -6.899 -2.513 -1.983 1.00 0.00 O ATOM 183 CB ILE A 13 -9.317 -1.404 -0.537 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.085 -0.246 0.451 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.780 -1.805 -0.585 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.350 0.454 0.909 1.00 0.00 C ATOM 0 H ILE A 13 -6.716 -1.693 0.586 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.081 -3.409 0.262 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.026 -1.056 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.561 -0.631 1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.428 0.487 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.386 -0.940 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.918 -2.592 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.089 -2.172 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.092 1.255 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.867 0.873 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.002 -0.263 1.409 1.00 0.00 H new ATOM 198 N ASN A 14 -8.210 -4.336 -1.860 1.00 0.00 N ATOM 199 CA ASN A 14 -7.662 -4.962 -3.063 1.00 0.00 C ATOM 200 C ASN A 14 -8.626 -4.822 -4.238 1.00 0.00 C ATOM 201 O ASN A 14 -9.839 -4.733 -4.049 1.00 0.00 O ATOM 202 CB ASN A 14 -7.360 -6.439 -2.807 1.00 0.00 C ATOM 203 CG ASN A 14 -7.014 -7.190 -4.079 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.804 -7.993 -4.574 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.828 -6.930 -4.615 1.00 0.00 N ATOM 0 H ASN A 14 -8.942 -4.879 -1.403 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.734 -4.450 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.531 -6.521 -2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.225 -6.907 -2.336 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.540 -7.404 -5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.204 -6.256 -4.171 1.00 0.00 H new ATOM 212 N PHE A 15 -8.080 -4.801 -5.454 1.00 0.00 N ATOM 213 CA PHE A 15 -8.895 -4.667 -6.656 1.00 0.00 C ATOM 214 C PHE A 15 -8.559 -5.764 -7.666 1.00 0.00 C ATOM 215 O PHE A 15 -8.527 -6.945 -7.317 1.00 0.00 O ATOM 216 CB PHE A 15 -8.690 -3.283 -7.280 1.00 0.00 C ATOM 217 CG PHE A 15 -8.561 -2.179 -6.271 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.685 -1.533 -5.782 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.315 -1.788 -5.811 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.567 -0.516 -4.853 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.190 -0.773 -4.883 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.318 -0.136 -4.403 1.00 0.00 C ATOM 0 H PHE A 15 -7.078 -4.875 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.943 -4.775 -6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.794 -3.303 -7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.529 -3.064 -7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.664 -1.827 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.430 -2.283 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.450 -0.019 -4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.212 -0.478 -4.533 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.223 0.658 -3.677 1.00 0.00 H new ATOM 232 N GLN A 16 -8.312 -5.371 -8.916 1.00 0.00 N ATOM 233 CA GLN A 16 -7.980 -6.327 -9.969 1.00 0.00 C ATOM 234 C GLN A 16 -6.862 -7.262 -9.524 1.00 0.00 C ATOM 235 O GLN A 16 -6.957 -8.479 -9.685 1.00 0.00 O ATOM 236 CB GLN A 16 -7.568 -5.590 -11.245 1.00 0.00 C ATOM 237 CG GLN A 16 -6.644 -4.408 -10.997 1.00 0.00 C ATOM 238 CD GLN A 16 -7.279 -3.085 -11.373 1.00 0.00 C ATOM 239 OE1 GLN A 16 -7.782 -2.917 -12.483 1.00 0.00 O ATOM 240 NE2 GLN A 16 -7.256 -2.133 -10.446 1.00 0.00 N ATOM 0 H GLN A 16 -8.336 -4.398 -9.222 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.868 -6.925 -10.174 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.073 -6.292 -11.916 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.464 -5.238 -11.756 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.363 -4.386 -9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.726 -4.542 -11.569 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.828 -2.315 -9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.666 -1.220 -10.642 1.00 0.00 H new ATOM 249 N ARG A 17 -5.804 -6.689 -8.956 1.00 0.00 N ATOM 250 CA ARG A 17 -4.674 -7.477 -8.482 1.00 0.00 C ATOM 251 C ARG A 17 -3.778 -6.659 -7.561 1.00 0.00 C ATOM 252 O ARG A 17 -2.780 -7.161 -7.044 1.00 0.00 O ATOM 253 CB ARG A 17 -3.862 -8.016 -9.662 1.00 0.00 C ATOM 254 CG ARG A 17 -3.573 -6.972 -10.728 1.00 0.00 C ATOM 255 CD ARG A 17 -2.083 -6.861 -11.007 1.00 0.00 C ATOM 256 NE ARG A 17 -1.779 -5.773 -11.932 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.547 -5.349 -12.194 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.494 -5.921 -11.603 1.00 0.00 N ATOM 259 NH2 ARG A 17 -0.353 -4.353 -13.047 1.00 0.00 N ATOM 0 H ARG A 17 -5.707 -5.684 -8.814 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.071 -8.317 -7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.918 -8.415 -9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.403 -8.846 -10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.098 -7.233 -11.647 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.957 -6.004 -10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.550 -6.700 -10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.721 -7.802 -11.422 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.557 -5.312 -12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.350 -6.688 -10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.439 -5.594 -11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.150 -3.910 -13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.594 -4.029 -13.246 1.00 0.00 H new ATOM 273 N LYS A 18 -4.147 -5.402 -7.350 1.00 0.00 N ATOM 274 CA LYS A 18 -3.391 -4.519 -6.486 1.00 0.00 C ATOM 275 C LYS A 18 -4.218 -4.167 -5.262 1.00 0.00 C ATOM 276 O LYS A 18 -5.444 -4.244 -5.287 1.00 0.00 O ATOM 277 CB LYS A 18 -3.001 -3.248 -7.236 1.00 0.00 C ATOM 278 CG LYS A 18 -4.132 -2.242 -7.341 1.00 0.00 C ATOM 279 CD LYS A 18 -4.051 -1.443 -8.630 1.00 0.00 C ATOM 280 CE LYS A 18 -4.145 0.051 -8.367 1.00 0.00 C ATOM 281 NZ LYS A 18 -5.324 0.661 -9.042 1.00 0.00 N ATOM 0 H LYS A 18 -4.972 -4.974 -7.771 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.481 -5.029 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.155 -2.782 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.667 -3.514 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.088 -2.763 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.097 -1.563 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.113 -1.665 -9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.856 -1.747 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.210 0.227 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.235 0.539 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.352 1.680 -8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.250 0.516 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.195 0.214 -8.691 1.00 0.00 H new ATOM 294 N CYS A 19 -3.546 -3.784 -4.195 1.00 0.00 N ATOM 295 CA CYS A 19 -4.225 -3.427 -2.963 1.00 0.00 C ATOM 296 C CYS A 19 -3.744 -2.081 -2.446 1.00 0.00 C ATOM 297 O CYS A 19 -2.689 -1.584 -2.840 1.00 0.00 O ATOM 298 CB CYS A 19 -4.007 -4.510 -1.901 1.00 0.00 C ATOM 299 SG CYS A 19 -4.969 -4.264 -0.369 1.00 0.00 S ATOM 0 H CYS A 19 -2.529 -3.712 -4.155 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.291 -3.350 -3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.267 -5.479 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.947 -4.547 -1.649 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.717 -5.231 0.462 1.00 0.00 H new ATOM 304 N TYR A 20 -4.529 -1.515 -1.550 1.00 0.00 N ATOM 305 CA TYR A 20 -4.222 -0.241 -0.936 1.00 0.00 C ATOM 306 C TYR A 20 -4.230 -0.414 0.566 1.00 0.00 C ATOM 307 O TYR A 20 -4.889 -1.302 1.099 1.00 0.00 O ATOM 308 CB TYR A 20 -5.238 0.837 -1.341 1.00 0.00 C ATOM 309 CG TYR A 20 -4.910 1.549 -2.637 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.369 0.864 -3.718 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.146 2.911 -2.776 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.071 1.517 -4.899 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.851 3.571 -3.954 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.314 2.870 -5.012 1.00 0.00 C ATOM 315 OH TYR A 20 -4.018 3.522 -6.187 1.00 0.00 O ATOM 0 H TYR A 20 -5.403 -1.930 -1.227 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.240 0.086 -1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.222 0.376 -1.432 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.305 1.575 -0.542 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.178 -0.196 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.567 3.464 -1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.650 0.970 -5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.040 4.630 -4.045 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.835 3.624 -6.719 1.00 0.00 H new ATOM 325 N TYR A 21 -3.487 0.430 1.231 1.00 0.00 N ATOM 326 CA TYR A 21 -3.383 0.388 2.674 1.00 0.00 C ATOM 327 C TYR A 21 -3.962 1.649 3.261 1.00 0.00 C ATOM 328 O TYR A 21 -3.456 2.724 3.007 1.00 0.00 O ATOM 329 CB TYR A 21 -1.919 0.274 3.103 1.00 0.00 C ATOM 330 CG TYR A 21 -1.380 -1.133 3.110 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.496 -1.928 4.240 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.744 -1.662 1.995 1.00 0.00 C ATOM 333 CE1 TYR A 21 -0.996 -3.212 4.262 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.240 -2.947 2.005 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.368 -3.720 3.143 1.00 0.00 C ATOM 336 OH TYR A 21 0.133 -5.001 3.159 1.00 0.00 O ATOM 0 H TYR A 21 -2.935 1.167 0.793 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.933 -0.482 3.033 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.309 0.880 2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.812 0.696 4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.987 -1.534 5.118 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.642 -1.058 1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.095 -3.818 5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.251 -3.345 1.129 1.00 0.00 H new ATOM 0 HH TYR A 21 0.543 -5.203 2.292 1.00 0.00 H new ATOM 346 N PHE A 22 -5.005 1.523 4.052 1.00 0.00 N ATOM 347 CA PHE A 22 -5.604 2.683 4.680 1.00 0.00 C ATOM 348 C PHE A 22 -5.655 2.453 6.181 1.00 0.00 C ATOM 349 O PHE A 22 -6.703 2.589 6.813 1.00 0.00 O ATOM 350 CB PHE A 22 -7.014 2.940 4.133 1.00 0.00 C ATOM 351 CG PHE A 22 -7.074 3.237 2.656 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.022 3.865 2.010 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.194 2.892 1.915 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.082 4.140 0.657 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.261 3.167 0.559 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.202 3.792 -0.070 1.00 0.00 C ATOM 0 H PHE A 22 -5.455 0.635 4.275 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.000 3.562 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.633 2.067 4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.452 3.777 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.143 4.144 2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.025 2.403 2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.252 4.628 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.140 2.893 -0.006 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.250 4.008 -1.127 1.00 0.00 H new ATOM 366 N GLY A 23 -4.507 2.085 6.742 1.00 0.00 N ATOM 367 CA GLY A 23 -4.430 1.814 8.160 1.00 0.00 C ATOM 368 C GLY A 23 -4.299 3.082 8.981 1.00 0.00 C ATOM 369 O GLY A 23 -4.215 4.177 8.426 1.00 0.00 O ATOM 0 H GLY A 23 -3.629 1.970 6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.322 1.271 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.577 1.166 8.358 1.00 0.00 H new ATOM 373 N LYS A 24 -4.291 2.942 10.302 1.00 0.00 N ATOM 374 CA LYS A 24 -4.180 4.097 11.188 1.00 0.00 C ATOM 375 C LYS A 24 -2.812 4.158 11.860 1.00 0.00 C ATOM 376 O LYS A 24 -2.265 3.136 12.277 1.00 0.00 O ATOM 377 CB LYS A 24 -5.280 4.062 12.248 1.00 0.00 C ATOM 378 CG LYS A 24 -5.229 2.831 13.139 1.00 0.00 C ATOM 379 CD LYS A 24 -6.183 2.956 14.316 1.00 0.00 C ATOM 380 CE LYS A 24 -7.227 1.851 14.306 1.00 0.00 C ATOM 381 NZ LYS A 24 -6.629 0.518 14.590 1.00 0.00 N ATOM 0 H LYS A 24 -4.360 2.045 10.782 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.297 4.993 10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.202 4.954 12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.251 4.102 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.484 1.947 12.555 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.213 2.688 13.506 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.620 2.917 15.248 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.678 3.926 14.283 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.994 2.070 15.049 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.721 1.827 13.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.374 -0.207 14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.915 0.297 13.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.180 0.532 15.528 1.00 0.00 H new ATOM 436 N GLN A 28 3.795 11.245 10.695 1.00 0.00 N ATOM 437 CA GLN A 28 4.192 12.214 9.676 1.00 0.00 C ATOM 438 C GLN A 28 4.174 11.574 8.292 1.00 0.00 C ATOM 439 O GLN A 28 3.865 10.391 8.149 1.00 0.00 O ATOM 440 CB GLN A 28 5.589 12.762 9.973 1.00 0.00 C ATOM 441 CG GLN A 28 5.581 14.161 10.568 1.00 0.00 C ATOM 442 CD GLN A 28 6.896 14.522 11.229 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.347 13.843 12.152 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.521 15.595 10.758 1.00 0.00 N ATOM 0 HA GLN A 28 3.477 13.037 9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.096 12.086 10.662 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.170 12.772 9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.363 14.884 9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.778 14.235 11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.111 16.129 9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.411 15.885 11.163 1.00 0.00 H new ATOM 453 N TRP A 29 4.509 12.361 7.274 1.00 0.00 N ATOM 454 CA TRP A 29 4.532 11.863 5.905 1.00 0.00 C ATOM 455 C TRP A 29 5.627 10.823 5.724 1.00 0.00 C ATOM 456 O TRP A 29 5.388 9.737 5.199 1.00 0.00 O ATOM 457 CB TRP A 29 4.744 13.006 4.913 1.00 0.00 C ATOM 458 CG TRP A 29 4.748 12.535 3.493 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.668 12.409 2.669 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.886 12.110 2.734 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.064 11.928 1.445 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.420 11.740 1.460 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.252 12.008 3.009 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.272 11.274 0.462 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.097 11.546 2.018 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.605 11.184 0.758 1.00 0.00 C ATOM 0 H TRP A 29 4.767 13.343 7.372 1.00 0.00 H new ATOM 0 HA TRP A 29 3.566 11.398 5.708 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.957 13.748 5.045 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.690 13.502 5.131 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.651 12.652 2.939 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.448 11.741 0.654 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.640 12.285 3.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.894 10.994 -0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.155 11.463 2.219 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.291 10.827 0.005 1.00 0.00 H new ATOM 477 N VAL A 30 6.830 11.169 6.164 1.00 0.00 N ATOM 478 CA VAL A 30 7.973 10.272 6.059 1.00 0.00 C ATOM 479 C VAL A 30 7.667 8.933 6.712 1.00 0.00 C ATOM 480 O VAL A 30 8.165 7.892 6.288 1.00 0.00 O ATOM 481 CB VAL A 30 9.226 10.880 6.714 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.782 12.000 5.853 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.905 11.383 8.111 1.00 0.00 C ATOM 0 H VAL A 30 7.040 12.068 6.598 1.00 0.00 H new ATOM 0 HA VAL A 30 8.170 10.123 4.997 1.00 0.00 H new ATOM 0 HB VAL A 30 9.986 10.103 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.668 12.420 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.050 11.606 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.028 12.779 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.802 11.810 8.559 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.130 12.147 8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.552 10.554 8.724 1.00 0.00 H new ATOM 493 N HIS A 31 6.837 8.970 7.744 1.00 0.00 N ATOM 494 CA HIS A 31 6.454 7.758 8.452 1.00 0.00 C ATOM 495 C HIS A 31 5.531 6.906 7.589 1.00 0.00 C ATOM 496 O HIS A 31 5.495 5.682 7.726 1.00 0.00 O ATOM 497 CB HIS A 31 5.767 8.105 9.773 1.00 0.00 C ATOM 498 CG HIS A 31 6.264 7.296 10.932 1.00 0.00 C ATOM 499 ND1 HIS A 31 7.363 7.655 11.684 1.00 0.00 N ATOM 500 CD2 HIS A 31 5.806 6.139 11.467 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.560 6.752 12.629 1.00 0.00 C ATOM 502 NE2 HIS A 31 6.629 5.824 12.519 1.00 0.00 N ATOM 0 H HIS A 31 6.417 9.825 8.109 1.00 0.00 H new ATOM 0 HA HIS A 31 7.357 7.187 8.667 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.919 9.163 9.986 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.693 7.952 9.667 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.952 5.570 11.129 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.349 6.771 13.366 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.536 5.004 13.119 1.00 0.00 H new ATOM 511 N ALA A 32 4.786 7.556 6.697 1.00 0.00 N ATOM 512 CA ALA A 32 3.871 6.846 5.817 1.00 0.00 C ATOM 513 C ALA A 32 4.636 6.044 4.773 1.00 0.00 C ATOM 514 O ALA A 32 4.378 4.856 4.586 1.00 0.00 O ATOM 515 CB ALA A 32 2.919 7.824 5.143 1.00 0.00 C ATOM 0 H ALA A 32 4.800 8.568 6.568 1.00 0.00 H new ATOM 0 HA ALA A 32 3.288 6.150 6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.240 7.278 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.343 8.353 5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.491 8.542 4.556 1.00 0.00 H new ATOM 521 N ARG A 33 5.592 6.692 4.111 1.00 0.00 N ATOM 522 CA ARG A 33 6.403 6.025 3.103 1.00 0.00 C ATOM 523 C ARG A 33 7.183 4.878 3.729 1.00 0.00 C ATOM 524 O ARG A 33 7.320 3.809 3.134 1.00 0.00 O ATOM 525 CB ARG A 33 7.358 7.014 2.428 1.00 0.00 C ATOM 526 CG ARG A 33 8.340 7.670 3.382 1.00 0.00 C ATOM 527 CD ARG A 33 9.778 7.338 3.016 1.00 0.00 C ATOM 528 NE ARG A 33 10.327 8.278 2.043 1.00 0.00 N ATOM 529 CZ ARG A 33 11.388 8.020 1.284 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.013 6.854 1.385 1.00 0.00 N ATOM 531 NH2 ARG A 33 11.824 8.928 0.422 1.00 0.00 N ATOM 0 H ARG A 33 5.821 7.675 4.256 1.00 0.00 H new ATOM 0 HA ARG A 33 5.737 5.622 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.916 6.492 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.773 7.790 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.199 8.751 3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.137 7.338 4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.393 7.348 3.916 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.824 6.328 2.610 1.00 0.00 H new ATOM 0 HE ARG A 33 9.871 9.184 1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.680 6.152 2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.827 6.659 0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.346 9.825 0.341 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.638 8.729 -0.160 1.00 0.00 H new ATOM 545 N TYR A 34 7.677 5.099 4.943 1.00 0.00 N ATOM 546 CA TYR A 34 8.421 4.071 5.656 1.00 0.00 C ATOM 547 C TYR A 34 7.513 2.880 5.925 1.00 0.00 C ATOM 548 O TYR A 34 7.950 1.730 5.892 1.00 0.00 O ATOM 549 CB TYR A 34 8.978 4.621 6.970 1.00 0.00 C ATOM 550 CG TYR A 34 10.489 4.671 7.015 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.240 3.505 7.099 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.164 5.884 6.974 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.620 3.547 7.140 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.544 5.934 7.014 1.00 0.00 C ATOM 555 CZ TYR A 34 13.268 4.764 7.097 1.00 0.00 C ATOM 556 OH TYR A 34 14.642 4.809 7.138 1.00 0.00 O ATOM 0 H TYR A 34 7.575 5.978 5.451 1.00 0.00 H new ATOM 0 HA TYR A 34 9.261 3.751 5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.585 5.625 7.129 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.619 4.004 7.794 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.736 2.550 7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.601 6.803 6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.189 2.631 7.205 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.053 6.886 6.980 1.00 0.00 H new ATOM 0 HH TYR A 34 14.940 5.742 7.098 1.00 0.00 H new ATOM 566 N ALA A 35 6.238 3.170 6.167 1.00 0.00 N ATOM 567 CA ALA A 35 5.255 2.128 6.412 1.00 0.00 C ATOM 568 C ALA A 35 5.042 1.317 5.143 1.00 0.00 C ATOM 569 O ALA A 35 4.873 0.099 5.187 1.00 0.00 O ATOM 570 CB ALA A 35 3.943 2.733 6.890 1.00 0.00 C ATOM 0 H ALA A 35 5.865 4.119 6.198 1.00 0.00 H new ATOM 0 HA ALA A 35 5.626 1.467 7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.219 1.938 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.112 3.284 7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.557 3.411 6.129 1.00 0.00 H new ATOM 576 N CYS A 36 5.075 2.011 4.007 1.00 0.00 N ATOM 577 CA CYS A 36 4.910 1.375 2.714 1.00 0.00 C ATOM 578 C CYS A 36 5.975 0.310 2.523 1.00 0.00 C ATOM 579 O CYS A 36 5.679 -0.828 2.162 1.00 0.00 O ATOM 580 CB CYS A 36 5.014 2.409 1.596 1.00 0.00 C ATOM 581 SG CYS A 36 4.092 3.946 1.913 1.00 0.00 S ATOM 0 H CYS A 36 5.216 3.020 3.963 1.00 0.00 H new ATOM 0 HA CYS A 36 3.924 0.912 2.677 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.064 2.654 1.440 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.649 1.964 0.670 1.00 0.00 H new ATOM 586 N ASP A 37 7.218 0.698 2.776 1.00 0.00 N ATOM 587 CA ASP A 37 8.345 -0.212 2.643 1.00 0.00 C ATOM 588 C ASP A 37 8.136 -1.450 3.510 1.00 0.00 C ATOM 589 O ASP A 37 8.517 -2.558 3.132 1.00 0.00 O ATOM 590 CB ASP A 37 9.646 0.489 3.035 1.00 0.00 C ATOM 591 CG ASP A 37 10.801 0.117 2.126 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.705 0.379 0.909 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.800 -0.437 2.630 1.00 0.00 O ATOM 0 H ASP A 37 7.470 1.640 3.075 1.00 0.00 H new ATOM 0 HA ASP A 37 8.414 -0.522 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.497 1.568 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.899 0.231 4.063 1.00 0.00 H new ATOM 598 N ASP A 38 7.522 -1.251 4.672 1.00 0.00 N ATOM 599 CA ASP A 38 7.252 -2.346 5.595 1.00 0.00 C ATOM 600 C ASP A 38 6.152 -3.254 5.052 1.00 0.00 C ATOM 601 O ASP A 38 6.075 -4.433 5.402 1.00 0.00 O ATOM 602 CB ASP A 38 6.847 -1.799 6.966 1.00 0.00 C ATOM 603 CG ASP A 38 7.933 -1.985 8.007 1.00 0.00 C ATOM 604 OD1 ASP A 38 9.014 -1.379 7.852 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.703 -2.737 8.977 1.00 0.00 O ATOM 0 H ASP A 38 7.202 -0.339 4.997 1.00 0.00 H new ATOM 0 HA ASP A 38 8.165 -2.932 5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.612 -0.738 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.938 -2.300 7.300 1.00 0.00 H new ATOM 610 N MET A 39 5.306 -2.698 4.189 1.00 0.00 N ATOM 611 CA MET A 39 4.214 -3.452 3.588 1.00 0.00 C ATOM 612 C MET A 39 4.597 -3.912 2.186 1.00 0.00 C ATOM 613 O MET A 39 3.862 -4.657 1.539 1.00 0.00 O ATOM 614 CB MET A 39 2.945 -2.600 3.532 1.00 0.00 C ATOM 615 CG MET A 39 2.478 -2.114 4.895 1.00 0.00 C ATOM 616 SD MET A 39 2.088 -3.469 6.020 1.00 0.00 S ATOM 617 CE MET A 39 3.170 -3.090 7.396 1.00 0.00 C ATOM 0 H MET A 39 5.358 -1.724 3.890 1.00 0.00 H new ATOM 0 HA MET A 39 4.020 -4.329 4.205 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.124 -1.738 2.890 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.147 -3.181 3.070 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.254 -1.490 5.339 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.596 -1.486 4.770 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.660 -3.316 8.333 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.076 -3.691 7.322 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.433 -2.032 7.372 1.00 0.00 H new ATOM 627 N GLU A 40 5.760 -3.453 1.735 1.00 0.00 N ATOM 628 CA GLU A 40 6.279 -3.795 0.415 1.00 0.00 C ATOM 629 C GLU A 40 5.433 -3.176 -0.690 1.00 0.00 C ATOM 630 O GLU A 40 5.047 -3.851 -1.645 1.00 0.00 O ATOM 631 CB GLU A 40 6.340 -5.310 0.237 1.00 0.00 C ATOM 632 CG GLU A 40 7.524 -5.961 0.933 1.00 0.00 C ATOM 633 CD GLU A 40 7.106 -6.846 2.090 1.00 0.00 C ATOM 634 OE1 GLU A 40 6.836 -8.043 1.855 1.00 0.00 O ATOM 635 OE2 GLU A 40 7.049 -6.344 3.232 1.00 0.00 O ATOM 0 H GLU A 40 6.368 -2.835 2.272 1.00 0.00 H new ATOM 0 HA GLU A 40 7.288 -3.388 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.419 -5.749 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.384 -5.540 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.084 -6.555 0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.197 -5.185 1.298 1.00 0.00 H new ATOM 642 N GLY A 41 5.149 -1.888 -0.553 1.00 0.00 N ATOM 643 CA GLY A 41 4.352 -1.197 -1.547 1.00 0.00 C ATOM 644 C GLY A 41 4.937 0.138 -1.954 1.00 0.00 C ATOM 645 O GLY A 41 6.084 0.217 -2.394 1.00 0.00 O ATOM 0 H GLY A 41 5.456 -1.309 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.255 -1.829 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.347 -1.042 -1.154 1.00 0.00 H new ATOM 649 N GLN A 42 4.134 1.182 -1.827 1.00 0.00 N ATOM 650 CA GLN A 42 4.545 2.527 -2.204 1.00 0.00 C ATOM 651 C GLN A 42 3.611 3.525 -1.562 1.00 0.00 C ATOM 652 O GLN A 42 2.501 3.167 -1.184 1.00 0.00 O ATOM 653 CB GLN A 42 4.493 2.695 -3.723 1.00 0.00 C ATOM 654 CG GLN A 42 4.769 4.116 -4.193 1.00 0.00 C ATOM 655 CD GLN A 42 4.519 4.298 -5.676 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.183 3.683 -6.510 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.555 5.147 -6.012 1.00 0.00 N ATOM 0 H GLN A 42 3.183 1.123 -1.462 1.00 0.00 H new ATOM 0 HA GLN A 42 5.568 2.694 -1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.221 2.024 -4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.510 2.389 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.139 4.808 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.804 4.375 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.030 5.635 -5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.340 5.311 -6.995 1.00 0.00 H new ATOM 666 N LEU A 43 4.018 4.776 -1.447 1.00 0.00 N ATOM 667 CA LEU A 43 3.119 5.731 -0.863 1.00 0.00 C ATOM 668 C LEU A 43 2.074 6.051 -1.919 1.00 0.00 C ATOM 669 O LEU A 43 2.373 6.630 -2.963 1.00 0.00 O ATOM 670 CB LEU A 43 3.887 6.993 -0.443 1.00 0.00 C ATOM 671 CG LEU A 43 3.322 7.791 0.741 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.650 6.891 1.756 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.428 8.590 1.408 1.00 0.00 C ATOM 0 H LEU A 43 4.927 5.136 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 43 2.644 5.333 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.909 6.702 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.942 7.658 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 43 2.567 8.472 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.264 7.494 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.828 6.357 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.374 6.173 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.016 9.152 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.200 7.911 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.863 9.281 0.686 1.00 0.00 H new ATOM 685 N VAL A 44 0.854 5.617 -1.620 1.00 0.00 N ATOM 686 CA VAL A 44 -0.311 5.766 -2.489 1.00 0.00 C ATOM 687 C VAL A 44 -0.037 6.542 -3.767 1.00 0.00 C ATOM 688 O VAL A 44 0.048 5.961 -4.851 1.00 0.00 O ATOM 689 CB VAL A 44 -1.468 6.431 -1.739 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.642 5.474 -1.643 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.011 6.875 -0.360 1.00 0.00 C ATOM 0 H VAL A 44 0.641 5.139 -0.744 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.578 4.751 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.792 7.315 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.461 5.955 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.973 5.203 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.336 4.576 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.842 7.347 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.669 6.009 0.206 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.193 7.589 -0.460 1.00 0.00 H new ATOM 701 N SER A 45 0.068 7.852 -3.636 1.00 0.00 N ATOM 702 CA SER A 45 0.298 8.724 -4.783 1.00 0.00 C ATOM 703 C SER A 45 -0.929 8.710 -5.690 1.00 0.00 C ATOM 704 O SER A 45 -0.822 8.533 -6.904 1.00 0.00 O ATOM 705 CB SER A 45 1.535 8.276 -5.566 1.00 0.00 C ATOM 706 OG SER A 45 2.612 9.174 -5.378 1.00 0.00 O ATOM 0 H SER A 45 -0.002 8.341 -2.744 1.00 0.00 H new ATOM 0 HA SER A 45 0.471 9.738 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.830 7.277 -5.244 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.293 8.211 -6.627 1.00 0.00 H new ATOM 0 HG SER A 45 2.578 9.873 -6.064 1.00 0.00 H new ATOM 712 N ILE A 46 -2.094 8.883 -5.074 1.00 0.00 N ATOM 713 CA ILE A 46 -3.366 8.877 -5.793 1.00 0.00 C ATOM 714 C ILE A 46 -3.334 9.798 -7.007 1.00 0.00 C ATOM 715 O ILE A 46 -2.720 10.866 -6.975 1.00 0.00 O ATOM 716 CB ILE A 46 -4.547 9.288 -4.884 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.056 9.684 -3.488 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.554 8.152 -4.789 1.00 0.00 C ATOM 719 CD1 ILE A 46 -5.170 10.064 -2.538 1.00 0.00 C ATOM 0 H ILE A 46 -2.185 9.031 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.516 7.850 -6.126 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.033 10.156 -5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.493 8.854 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.366 10.523 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.382 8.452 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.933 7.918 -5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.070 7.271 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.747 10.332 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.719 10.914 -2.942 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.848 9.219 -2.416 1.00 0.00 H new ATOM 731 N HIS A 47 -4.001 9.374 -8.076 1.00 0.00 N ATOM 732 CA HIS A 47 -4.055 10.153 -9.308 1.00 0.00 C ATOM 733 C HIS A 47 -5.461 10.151 -9.901 1.00 0.00 C ATOM 734 O HIS A 47 -5.702 10.753 -10.946 1.00 0.00 O ATOM 735 CB HIS A 47 -3.065 9.598 -10.331 1.00 0.00 C ATOM 736 CG HIS A 47 -2.961 8.105 -10.319 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.160 7.413 -9.433 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.563 7.166 -11.087 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.273 6.116 -9.659 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.120 5.941 -10.657 1.00 0.00 N ATOM 0 H HIS A 47 -4.513 8.493 -8.114 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.785 11.180 -9.064 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.364 9.925 -11.327 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.080 10.024 -10.138 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -1.572 7.837 -8.715 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.262 7.348 -11.890 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.760 5.333 -9.120 1.00 0.00 H new ATOM 749 N SER A 48 -6.386 9.472 -9.228 1.00 0.00 N ATOM 750 CA SER A 48 -7.762 9.398 -9.692 1.00 0.00 C ATOM 751 C SER A 48 -8.703 9.993 -8.657 1.00 0.00 C ATOM 752 O SER A 48 -8.730 9.549 -7.510 1.00 0.00 O ATOM 753 CB SER A 48 -8.150 7.947 -9.979 1.00 0.00 C ATOM 754 OG SER A 48 -9.414 7.873 -10.616 1.00 0.00 O ATOM 0 H SER A 48 -6.205 8.967 -8.361 1.00 0.00 H new ATOM 0 HA SER A 48 -7.846 9.973 -10.614 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.393 7.483 -10.611 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.176 7.383 -9.047 1.00 0.00 H new ATOM 0 HG SER A 48 -9.638 6.935 -10.790 1.00 0.00 H new ATOM 760 N PRO A 49 -9.494 11.009 -9.046 1.00 0.00 N ATOM 761 CA PRO A 49 -10.440 11.652 -8.137 1.00 0.00 C ATOM 762 C PRO A 49 -11.247 10.624 -7.357 1.00 0.00 C ATOM 763 O PRO A 49 -11.666 10.872 -6.227 1.00 0.00 O ATOM 764 CB PRO A 49 -11.339 12.454 -9.077 1.00 0.00 C ATOM 765 CG PRO A 49 -10.466 12.774 -10.242 1.00 0.00 C ATOM 766 CD PRO A 49 -9.533 11.603 -10.398 1.00 0.00 C ATOM 0 HA PRO A 49 -9.950 12.267 -7.382 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.212 11.876 -9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.708 13.360 -8.597 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.059 12.923 -11.144 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.910 13.696 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.901 10.892 -11.138 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.543 11.920 -10.726 1.00 0.00 H new ATOM 774 N GLU A 50 -11.446 9.460 -7.970 1.00 0.00 N ATOM 775 CA GLU A 50 -12.186 8.380 -7.338 1.00 0.00 C ATOM 776 C GLU A 50 -11.362 7.735 -6.237 1.00 0.00 C ATOM 777 O GLU A 50 -11.862 7.484 -5.144 1.00 0.00 O ATOM 778 CB GLU A 50 -12.577 7.319 -8.363 1.00 0.00 C ATOM 779 CG GLU A 50 -13.234 6.100 -7.744 1.00 0.00 C ATOM 780 CD GLU A 50 -13.180 4.885 -8.649 1.00 0.00 C ATOM 781 OE1 GLU A 50 -13.912 4.866 -9.661 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.407 3.952 -8.347 1.00 0.00 O ATOM 0 H GLU A 50 -11.103 9.244 -8.906 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.090 8.808 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.258 7.760 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.687 7.006 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.742 5.867 -6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.274 6.330 -7.513 1.00 0.00 H new ATOM 789 N GLU A 51 -10.102 7.452 -6.542 1.00 0.00 N ATOM 790 CA GLU A 51 -9.214 6.822 -5.583 1.00 0.00 C ATOM 791 C GLU A 51 -9.008 7.722 -4.371 1.00 0.00 C ATOM 792 O GLU A 51 -9.109 7.271 -3.231 1.00 0.00 O ATOM 793 CB GLU A 51 -7.874 6.489 -6.239 1.00 0.00 C ATOM 794 CG GLU A 51 -7.978 5.451 -7.344 1.00 0.00 C ATOM 795 CD GLU A 51 -6.644 5.175 -8.010 1.00 0.00 C ATOM 796 OE1 GLU A 51 -5.975 6.144 -8.425 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.268 3.988 -8.117 1.00 0.00 O ATOM 0 H GLU A 51 -9.675 7.650 -7.447 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.674 5.894 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.443 7.402 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.185 6.127 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.373 4.523 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.691 5.794 -8.094 1.00 0.00 H new ATOM 804 N GLN A 52 -8.738 8.999 -4.624 1.00 0.00 N ATOM 805 CA GLN A 52 -8.539 9.958 -3.547 1.00 0.00 C ATOM 806 C GLN A 52 -9.806 10.060 -2.706 1.00 0.00 C ATOM 807 O GLN A 52 -9.747 10.101 -1.480 1.00 0.00 O ATOM 808 CB GLN A 52 -8.138 11.331 -4.107 1.00 0.00 C ATOM 809 CG GLN A 52 -9.311 12.269 -4.363 1.00 0.00 C ATOM 810 CD GLN A 52 -9.454 13.343 -3.298 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.034 14.401 -3.546 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.927 13.081 -2.106 1.00 0.00 N ATOM 0 H GLN A 52 -8.653 9.391 -5.562 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.725 9.610 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.451 11.809 -3.409 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.594 11.185 -5.040 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.184 12.744 -5.336 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.231 11.687 -4.410 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.455 12.192 -1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.995 13.769 -1.356 1.00 0.00 H new ATOM 821 N ASP A 53 -10.948 10.072 -3.384 1.00 0.00 N ATOM 822 CA ASP A 53 -12.242 10.136 -2.726 1.00 0.00 C ATOM 823 C ASP A 53 -12.499 8.840 -1.973 1.00 0.00 C ATOM 824 O ASP A 53 -13.133 8.831 -0.920 1.00 0.00 O ATOM 825 CB ASP A 53 -13.353 10.378 -3.749 1.00 0.00 C ATOM 826 CG ASP A 53 -14.656 10.802 -3.099 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.744 11.964 -2.648 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.588 9.973 -3.041 1.00 0.00 O ATOM 0 H ASP A 53 -11.000 10.038 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.237 10.967 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.034 11.147 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.517 9.467 -4.325 1.00 0.00 H new ATOM 833 N PHE A 54 -12.013 7.744 -2.546 1.00 0.00 N ATOM 834 CA PHE A 54 -12.185 6.424 -1.969 1.00 0.00 C ATOM 835 C PHE A 54 -11.573 6.356 -0.577 1.00 0.00 C ATOM 836 O PHE A 54 -12.228 5.954 0.383 1.00 0.00 O ATOM 837 CB PHE A 54 -11.506 5.402 -2.875 1.00 0.00 C ATOM 838 CG PHE A 54 -12.435 4.369 -3.431 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.696 3.207 -2.730 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.039 4.561 -4.660 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.548 2.250 -3.245 1.00 0.00 C ATOM 842 CE2 PHE A 54 -13.892 3.611 -5.183 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.149 2.452 -4.474 1.00 0.00 C ATOM 0 H PHE A 54 -11.490 7.750 -3.422 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.250 6.209 -1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.026 5.926 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.717 4.902 -2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.229 3.046 -1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.841 5.465 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.745 1.345 -2.689 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.358 3.772 -6.144 1.00 0.00 H new ATOM 0 HZ PHE A 54 -14.817 1.707 -4.879 1.00 0.00 H new ATOM 853 N LEU A 55 -10.321 6.778 -0.474 1.00 0.00 N ATOM 854 CA LEU A 55 -9.627 6.794 0.804 1.00 0.00 C ATOM 855 C LEU A 55 -10.159 7.927 1.664 1.00 0.00 C ATOM 856 O LEU A 55 -10.257 7.811 2.884 1.00 0.00 O ATOM 857 CB LEU A 55 -8.127 6.959 0.601 1.00 0.00 C ATOM 858 CG LEU A 55 -7.736 7.855 -0.567 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.222 9.189 -0.060 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.698 7.166 -1.431 1.00 0.00 C ATOM 0 H LEU A 55 -9.765 7.114 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.805 5.843 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.693 7.366 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.684 5.974 0.450 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.619 8.043 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.947 9.818 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.001 9.682 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.348 9.026 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.427 7.817 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.812 6.952 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.108 6.234 -1.819 1.00 0.00 H new ATOM 872 N THR A 56 -10.503 9.024 1.000 1.00 0.00 N ATOM 873 CA THR A 56 -11.033 10.197 1.669 1.00 0.00 C ATOM 874 C THR A 56 -12.323 9.836 2.391 1.00 0.00 C ATOM 875 O THR A 56 -12.575 10.288 3.509 1.00 0.00 O ATOM 876 CB THR A 56 -11.271 11.313 0.641 1.00 0.00 C ATOM 877 OG1 THR A 56 -10.249 12.291 0.711 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.594 12.028 0.795 1.00 0.00 C ATOM 0 H THR A 56 -10.422 9.122 -0.012 1.00 0.00 H new ATOM 0 HA THR A 56 -10.316 10.556 2.407 1.00 0.00 H new ATOM 0 HB THR A 56 -11.273 10.801 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.420 12.991 0.047 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.682 12.800 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.409 11.313 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.647 12.487 1.782 1.00 0.00 H new ATOM 886 N LYS A 57 -13.124 8.995 1.750 1.00 0.00 N ATOM 887 CA LYS A 57 -14.375 8.539 2.328 1.00 0.00 C ATOM 888 C LYS A 57 -14.081 7.517 3.414 1.00 0.00 C ATOM 889 O LYS A 57 -14.770 7.457 4.433 1.00 0.00 O ATOM 890 CB LYS A 57 -15.274 7.926 1.252 1.00 0.00 C ATOM 891 CG LYS A 57 -16.730 8.350 1.362 1.00 0.00 C ATOM 892 CD LYS A 57 -17.204 9.044 0.096 1.00 0.00 C ATOM 893 CE LYS A 57 -17.079 10.554 0.208 1.00 0.00 C ATOM 894 NZ LYS A 57 -18.347 11.184 0.669 1.00 0.00 N ATOM 0 H LYS A 57 -12.925 8.615 0.825 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.900 9.390 2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.895 8.208 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.215 6.840 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.352 7.475 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.852 9.020 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.619 8.692 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.243 8.777 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.277 10.801 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.799 10.968 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.220 12.214 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.107 10.970 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.601 10.808 1.605 1.00 0.00 H new ATOM 907 N HIS A 58 -13.038 6.722 3.187 1.00 0.00 N ATOM 908 CA HIS A 58 -12.630 5.708 4.145 1.00 0.00 C ATOM 909 C HIS A 58 -12.091 6.363 5.412 1.00 0.00 C ATOM 910 O HIS A 58 -12.190 5.801 6.503 1.00 0.00 O ATOM 911 CB HIS A 58 -11.566 4.795 3.534 1.00 0.00 C ATOM 912 CG HIS A 58 -11.766 3.346 3.852 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.913 2.653 3.522 1.00 0.00 N ATOM 914 CD2 HIS A 58 -10.957 2.454 4.474 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.801 1.401 3.927 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.624 1.253 4.507 1.00 0.00 N ATOM 0 H HIS A 58 -12.462 6.764 2.346 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.502 5.107 4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.566 4.924 2.452 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.584 5.105 3.892 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -13.721 3.047 3.040 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.972 2.651 4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.546 0.629 3.805 1.00 0.00 H new ATOM 978 N GLY A 63 -7.275 11.920 8.636 1.00 0.00 N ATOM 979 CA GLY A 63 -6.955 12.007 7.222 1.00 0.00 C ATOM 980 C GLY A 63 -6.064 10.873 6.755 1.00 0.00 C ATOM 981 O GLY A 63 -5.888 9.880 7.461 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.879 12.000 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.461 12.958 7.023 1.00 0.00 H new ATOM 985 N SER A 64 -5.504 11.022 5.560 1.00 0.00 N ATOM 986 CA SER A 64 -4.630 10.001 4.996 1.00 0.00 C ATOM 987 C SER A 64 -3.371 10.624 4.399 1.00 0.00 C ATOM 988 O SER A 64 -3.336 11.818 4.104 1.00 0.00 O ATOM 989 CB SER A 64 -5.378 9.203 3.925 1.00 0.00 C ATOM 990 OG SER A 64 -4.969 9.585 2.624 1.00 0.00 O ATOM 0 H SER A 64 -5.639 11.839 4.964 1.00 0.00 H new ATOM 0 HA SER A 64 -4.329 9.330 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.197 8.138 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.451 9.361 4.033 1.00 0.00 H new ATOM 0 HG SER A 64 -5.629 10.201 2.241 1.00 0.00 H new ATOM 996 N TRP A 65 -2.343 9.801 4.218 1.00 0.00 N ATOM 997 CA TRP A 65 -1.080 10.257 3.651 1.00 0.00 C ATOM 998 C TRP A 65 -0.917 9.719 2.238 1.00 0.00 C ATOM 999 O TRP A 65 -1.135 8.536 1.988 1.00 0.00 O ATOM 1000 CB TRP A 65 0.090 9.800 4.522 1.00 0.00 C ATOM 1001 CG TRP A 65 0.413 10.752 5.631 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.740 12.071 5.509 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.440 10.458 7.031 1.00 0.00 C ATOM 1004 NE1 TRP A 65 0.968 12.616 6.749 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.790 11.646 7.699 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.201 9.306 7.785 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.906 11.713 9.084 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.318 9.375 9.159 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.667 10.570 9.797 1.00 0.00 C ATOM 0 H TRP A 65 -2.361 8.810 4.457 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.087 11.346 3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.143 8.824 4.947 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.972 9.672 3.895 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.809 12.608 4.574 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.228 13.585 6.932 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.070 8.379 7.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.175 12.635 9.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.137 8.491 9.752 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.749 10.591 10.874 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.546 10.593 1.317 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.372 10.197 -0.072 1.00 0.00 C ATOM 1022 C ILE A 66 1.082 10.287 -0.505 1.00 0.00 C ATOM 1023 O ILE A 66 1.910 10.874 0.185 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.234 11.054 -1.011 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.579 12.419 -1.235 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.635 11.205 -0.436 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.547 13.495 -1.662 1.00 0.00 C ATOM 0 H ILE A 66 -0.360 11.578 1.504 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.694 9.158 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.313 10.557 -1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.086 12.731 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.197 12.319 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.240 11.814 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.092 10.221 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.578 11.688 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.010 14.433 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.022 13.206 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.310 13.624 -0.894 1.00 0.00 H new ATOM 1039 N GLY A 67 1.376 9.692 -1.653 1.00 0.00 N ATOM 1040 CA GLY A 67 2.726 9.703 -2.175 1.00 0.00 C ATOM 1041 C GLY A 67 3.112 11.033 -2.789 1.00 0.00 C ATOM 1042 O GLY A 67 3.505 11.091 -3.953 1.00 0.00 O ATOM 0 H GLY A 67 0.698 9.199 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.422 9.464 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.826 8.920 -2.926 1.00 0.00 H new ATOM 1046 N LEU A 68 3.005 12.107 -2.013 1.00 0.00 N ATOM 1047 CA LEU A 68 3.356 13.431 -2.509 1.00 0.00 C ATOM 1048 C LEU A 68 4.384 14.121 -1.616 1.00 0.00 C ATOM 1049 O LEU A 68 4.184 14.276 -0.411 1.00 0.00 O ATOM 1050 CB LEU A 68 2.108 14.314 -2.622 1.00 0.00 C ATOM 1051 CG LEU A 68 2.254 15.544 -3.524 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.149 16.593 -2.880 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.803 15.142 -4.879 1.00 0.00 C ATOM 0 H LEU A 68 2.681 12.087 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 68 3.798 13.293 -3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.285 13.705 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.828 14.648 -1.623 1.00 0.00 H new ATOM 0 HG LEU A 68 1.265 15.982 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.235 17.454 -3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.716 16.907 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.138 16.170 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.901 16.026 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.780 14.677 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.123 14.434 -5.352 1.00 0.00 H new ATOM 1065 N ARG A 69 5.469 14.560 -2.241 1.00 0.00 N ATOM 1066 CA ARG A 69 6.536 15.277 -1.558 1.00 0.00 C ATOM 1067 C ARG A 69 7.023 16.426 -2.442 1.00 0.00 C ATOM 1068 O ARG A 69 7.461 16.198 -3.570 1.00 0.00 O ATOM 1069 CB ARG A 69 7.689 14.326 -1.222 1.00 0.00 C ATOM 1070 CG ARG A 69 9.027 15.022 -1.026 1.00 0.00 C ATOM 1071 CD ARG A 69 10.018 14.640 -2.114 1.00 0.00 C ATOM 1072 NE ARG A 69 11.389 14.593 -1.612 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.323 13.777 -2.093 1.00 0.00 C ATOM 1074 NH1 ARG A 69 12.036 12.945 -3.085 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.547 13.794 -1.581 1.00 0.00 N ATOM 0 H ARG A 69 5.633 14.428 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 69 6.154 15.686 -0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.440 13.776 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.786 13.592 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.880 16.102 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.436 14.758 -0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.749 13.667 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.955 15.359 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 69 11.644 15.221 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.096 12.929 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.755 12.321 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.772 14.433 -0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.263 13.168 -1.950 1.00 0.00 H new ATOM 1089 N ASN A 70 6.945 17.653 -1.943 1.00 0.00 N ATOM 1090 CA ASN A 70 7.381 18.808 -2.722 1.00 0.00 C ATOM 1091 C ASN A 70 8.897 18.965 -2.666 1.00 0.00 C ATOM 1092 O ASN A 70 9.547 18.506 -1.726 1.00 0.00 O ATOM 1093 CB ASN A 70 6.692 20.084 -2.228 1.00 0.00 C ATOM 1094 CG ASN A 70 7.670 21.093 -1.661 1.00 0.00 C ATOM 1095 OD1 ASN A 70 8.012 21.050 -0.480 1.00 0.00 O ATOM 1096 ND2 ASN A 70 8.129 22.010 -2.507 1.00 0.00 N ATOM 0 H ASN A 70 6.588 17.874 -1.013 1.00 0.00 H new ATOM 0 HA ASN A 70 7.095 18.640 -3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.144 20.539 -3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.960 19.824 -1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.792 22.715 -2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.818 22.008 -3.479 1.00 0.00 H new ATOM 1196 N PHE A 77 5.438 19.899 -6.673 1.00 0.00 N ATOM 1197 CA PHE A 77 5.030 18.693 -5.970 1.00 0.00 C ATOM 1198 C PHE A 77 5.404 17.456 -6.777 1.00 0.00 C ATOM 1199 O PHE A 77 4.958 17.278 -7.910 1.00 0.00 O ATOM 1200 CB PHE A 77 3.518 18.696 -5.690 1.00 0.00 C ATOM 1201 CG PHE A 77 2.966 19.986 -5.123 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.769 21.105 -4.943 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.624 20.075 -4.780 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.249 22.279 -4.436 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.100 21.250 -4.276 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.912 22.353 -4.104 1.00 0.00 C ATOM 0 HA PHE A 77 5.555 18.671 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.993 18.473 -6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.293 17.887 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.816 21.056 -5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.982 19.216 -4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.888 23.139 -4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.053 21.306 -4.016 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.502 23.271 -3.711 1.00 0.00 H new ATOM 1216 N ILE A 78 6.229 16.609 -6.179 1.00 0.00 N ATOM 1217 CA ILE A 78 6.679 15.384 -6.819 1.00 0.00 C ATOM 1218 C ILE A 78 6.294 14.173 -5.981 1.00 0.00 C ATOM 1219 O ILE A 78 6.358 14.217 -4.757 1.00 0.00 O ATOM 1220 CB ILE A 78 8.207 15.404 -7.045 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.509 15.659 -8.531 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.851 14.112 -6.548 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.394 14.618 -9.189 1.00 0.00 C ATOM 0 H ILE A 78 6.603 16.751 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 78 6.189 15.315 -7.790 1.00 0.00 H new ATOM 0 HB ILE A 78 8.642 16.218 -6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.566 15.710 -9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.986 16.634 -8.628 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.927 14.152 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.657 13.996 -5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.429 13.264 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.551 14.882 -10.235 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.355 14.581 -8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.913 13.642 -9.130 1.00 0.00 H new ATOM 1235 N TRP A 79 5.895 13.095 -6.638 1.00 0.00 N ATOM 1236 CA TRP A 79 5.498 11.889 -5.930 1.00 0.00 C ATOM 1237 C TRP A 79 6.717 11.169 -5.368 1.00 0.00 C ATOM 1238 O TRP A 79 7.814 11.266 -5.915 1.00 0.00 O ATOM 1239 CB TRP A 79 4.741 10.935 -6.861 1.00 0.00 C ATOM 1240 CG TRP A 79 3.410 11.448 -7.323 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.853 12.664 -7.054 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.469 10.750 -8.147 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.621 12.764 -7.657 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.364 11.601 -8.334 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.455 9.486 -8.744 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.258 11.230 -9.094 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.357 9.119 -9.498 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.272 9.988 -9.666 1.00 0.00 C ATOM 0 H TRP A 79 5.838 13.031 -7.654 1.00 0.00 H new ATOM 0 HA TRP A 79 4.844 12.189 -5.111 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.361 10.730 -7.734 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.592 9.986 -6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.313 13.436 -6.455 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.000 13.572 -7.608 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.287 8.809 -8.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.580 11.898 -9.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.335 8.146 -9.966 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.572 9.670 -10.260 1.00 0.00 H new ATOM 1259 N VAL A 80 6.510 10.445 -4.275 1.00 0.00 N ATOM 1260 CA VAL A 80 7.585 9.694 -3.637 1.00 0.00 C ATOM 1261 C VAL A 80 8.182 8.685 -4.615 1.00 0.00 C ATOM 1262 O VAL A 80 9.344 8.294 -4.496 1.00 0.00 O ATOM 1263 CB VAL A 80 7.062 8.950 -2.390 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.667 8.420 -2.652 1.00 0.00 C ATOM 1265 CG2 VAL A 80 8.003 7.824 -1.981 1.00 0.00 C ATOM 0 H VAL A 80 5.606 10.362 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 80 8.357 10.401 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 80 7.020 9.656 -1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.305 7.896 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.999 9.251 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.692 7.731 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.606 7.320 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.092 7.109 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.986 8.236 -1.751 1.00 0.00 H new ATOM 1275 N ASP A 81 7.374 8.275 -5.588 1.00 0.00 N ATOM 1276 CA ASP A 81 7.810 7.314 -6.595 1.00 0.00 C ATOM 1277 C ASP A 81 8.684 7.991 -7.645 1.00 0.00 C ATOM 1278 O ASP A 81 9.216 7.337 -8.543 1.00 0.00 O ATOM 1279 CB ASP A 81 6.600 6.662 -7.265 1.00 0.00 C ATOM 1280 CG ASP A 81 6.983 5.459 -8.105 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.662 4.555 -7.574 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.605 5.420 -9.296 1.00 0.00 O ATOM 0 H ASP A 81 6.412 8.594 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 81 8.399 6.543 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.886 6.355 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.097 7.396 -7.895 1.00 0.00 H new ATOM 1287 N GLY A 82 8.832 9.305 -7.519 1.00 0.00 N ATOM 1288 CA GLY A 82 9.645 10.055 -8.452 1.00 0.00 C ATOM 1289 C GLY A 82 8.875 10.488 -9.685 1.00 0.00 C ATOM 1290 O GLY A 82 9.444 10.589 -10.773 1.00 0.00 O ATOM 0 H GLY A 82 8.400 9.864 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.046 10.936 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.497 9.446 -8.756 1.00 0.00 H new ATOM 1294 N SER A 83 7.582 10.748 -9.519 1.00 0.00 N ATOM 1295 CA SER A 83 6.742 11.174 -10.633 1.00 0.00 C ATOM 1296 C SER A 83 5.970 12.444 -10.286 1.00 0.00 C ATOM 1297 O SER A 83 5.192 12.467 -9.336 1.00 0.00 O ATOM 1298 CB SER A 83 5.767 10.059 -11.019 1.00 0.00 C ATOM 1299 OG SER A 83 6.458 8.920 -11.498 1.00 0.00 O ATOM 0 H SER A 83 7.094 10.671 -8.627 1.00 0.00 H new ATOM 0 HA SER A 83 7.392 11.390 -11.481 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.163 9.785 -10.154 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.081 10.421 -11.785 1.00 0.00 H new ATOM 0 HG SER A 83 5.813 8.222 -11.736 1.00 0.00 H new ATOM 1305 N HIS A 84 6.188 13.499 -11.065 1.00 0.00 N ATOM 1306 CA HIS A 84 5.511 14.771 -10.839 1.00 0.00 C ATOM 1307 C HIS A 84 3.995 14.593 -10.834 1.00 0.00 C ATOM 1308 O HIS A 84 3.461 13.716 -11.513 1.00 0.00 O ATOM 1309 CB HIS A 84 5.914 15.785 -11.910 1.00 0.00 C ATOM 1310 CG HIS A 84 5.738 15.278 -13.309 1.00 0.00 C ATOM 1311 ND1 HIS A 84 6.570 14.337 -13.879 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.818 15.586 -14.254 1.00 0.00 C ATOM 1313 CE1 HIS A 84 6.169 14.089 -15.114 1.00 0.00 C ATOM 1314 NE2 HIS A 84 5.108 14.834 -15.365 1.00 0.00 N ATOM 0 H HIS A 84 6.829 13.498 -11.859 1.00 0.00 H new ATOM 0 HA HIS A 84 5.816 15.144 -9.861 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.321 16.691 -11.783 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.957 16.063 -11.761 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.007 16.292 -14.152 1.00 0.00 H new ATOM 0 HE1 HIS A 84 6.631 13.395 -15.801 1.00 0.00 H new ATOM 0 HE2 HIS A 84 4.588 14.848 -16.242 1.00 0.00 H new ATOM 1323 N VAL A 85 3.313 15.433 -10.062 1.00 0.00 N ATOM 1324 CA VAL A 85 1.858 15.379 -9.959 1.00 0.00 C ATOM 1325 C VAL A 85 1.205 15.455 -11.337 1.00 0.00 C ATOM 1326 O VAL A 85 1.778 16.006 -12.276 1.00 0.00 O ATOM 1327 CB VAL A 85 1.321 16.525 -9.077 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.193 16.467 -8.979 1.00 0.00 C ATOM 1329 CG2 VAL A 85 1.946 16.470 -7.695 1.00 0.00 C ATOM 0 H VAL A 85 3.747 16.162 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 85 1.604 14.425 -9.497 1.00 0.00 H new ATOM 0 HB VAL A 85 1.596 17.471 -9.544 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.549 17.285 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.626 16.559 -9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.493 15.516 -8.539 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.556 17.286 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.704 15.518 -7.224 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.028 16.567 -7.781 1.00 0.00 H new ATOM 1339 N ASP A 86 0.003 14.894 -11.450 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.723 14.893 -12.716 1.00 0.00 C ATOM 1341 C ASP A 86 -2.040 15.660 -12.605 1.00 0.00 C ATOM 1342 O ASP A 86 -2.344 16.507 -13.445 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.996 13.457 -13.167 1.00 0.00 C ATOM 1344 CG ASP A 86 0.137 12.889 -13.999 1.00 0.00 C ATOM 1345 OD1 ASP A 86 0.184 13.177 -15.214 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.977 12.156 -13.436 1.00 0.00 O ATOM 0 H ASP A 86 -0.487 14.436 -10.682 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.100 15.394 -13.457 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.152 12.827 -12.291 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.918 13.430 -13.747 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.824 15.353 -11.573 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.112 16.014 -11.375 1.00 0.00 C ATOM 1353 C TYR A 87 -4.095 16.926 -10.152 1.00 0.00 C ATOM 1354 O TYR A 87 -4.626 18.037 -10.193 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.226 14.976 -11.231 1.00 0.00 C ATOM 1356 CG TYR A 87 -6.255 15.037 -12.337 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -7.300 15.951 -12.290 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.181 14.179 -13.428 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -8.242 16.009 -13.300 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -7.120 14.231 -14.442 1.00 0.00 C ATOM 1361 CZ TYR A 87 -8.148 15.148 -14.372 1.00 0.00 C ATOM 1362 OH TYR A 87 -9.084 15.204 -15.379 1.00 0.00 O ATOM 0 H TYR A 87 -2.592 14.656 -10.866 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.302 16.630 -12.254 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.783 13.980 -11.212 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.725 15.121 -10.273 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.378 16.627 -11.451 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.377 13.460 -13.485 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.048 16.726 -13.249 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.049 13.558 -15.283 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.873 14.531 -16.060 1.00 0.00 H new ATOM 1372 N SER A 88 -3.492 16.447 -9.068 1.00 0.00 N ATOM 1373 CA SER A 88 -3.411 17.209 -7.820 1.00 0.00 C ATOM 1374 C SER A 88 -4.805 17.490 -7.264 1.00 0.00 C ATOM 1375 O SER A 88 -5.780 17.545 -8.014 1.00 0.00 O ATOM 1376 CB SER A 88 -2.655 18.523 -8.031 1.00 0.00 C ATOM 1377 OG SER A 88 -2.192 18.650 -9.364 1.00 0.00 O ATOM 0 H SER A 88 -3.049 15.529 -9.026 1.00 0.00 H new ATOM 0 HA SER A 88 -2.863 16.605 -7.097 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.308 19.362 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.809 18.571 -7.345 1.00 0.00 H new ATOM 0 HG SER A 88 -1.715 19.500 -9.465 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.905 17.650 -5.945 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.196 17.900 -5.318 1.00 0.00 C ATOM 1385 C ASN A 89 -6.134 18.978 -4.229 1.00 0.00 C ATOM 1386 O ASN A 89 -7.178 19.377 -3.711 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.740 16.603 -4.720 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.204 15.614 -5.769 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.474 15.979 -6.913 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.303 14.350 -5.375 1.00 0.00 N ATOM 0 H ASN A 89 -4.116 17.611 -5.299 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.860 18.269 -6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.966 16.139 -4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.572 16.837 -4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.614 13.634 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.068 14.095 -4.416 1.00 0.00 H new ATOM 1592 N CYS A 104 4.652 18.364 1.984 1.00 0.00 N ATOM 1593 CA CYS A 104 3.910 17.156 1.635 1.00 0.00 C ATOM 1594 C CYS A 104 2.421 17.459 1.531 1.00 0.00 C ATOM 1595 O CYS A 104 1.974 18.550 1.882 1.00 0.00 O ATOM 1596 CB CYS A 104 4.146 16.050 2.669 1.00 0.00 C ATOM 1597 SG CYS A 104 5.902 15.744 3.054 1.00 0.00 S ATOM 0 HA CYS A 104 4.271 16.807 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.625 16.312 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 104 3.700 15.125 2.303 1.00 0.00 H new ATOM 0 HG CYS A 104 6.112 14.464 3.135 1.00 0.00 H new ATOM 1602 N VAL A 105 1.659 16.494 1.039 1.00 0.00 N ATOM 1603 CA VAL A 105 0.223 16.667 0.886 1.00 0.00 C ATOM 1604 C VAL A 105 -0.556 15.669 1.735 1.00 0.00 C ATOM 1605 O VAL A 105 -0.226 14.483 1.789 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.202 16.532 -0.586 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.715 16.565 -0.717 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.418 17.640 -1.417 1.00 0.00 C ATOM 0 H VAL A 105 2.010 15.585 0.739 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.011 17.674 1.231 1.00 0.00 H new ATOM 0 HB VAL A 105 0.154 15.571 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.992 16.468 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.147 15.740 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.093 17.510 -0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.109 17.532 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.087 18.607 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.504 17.578 -1.354 1.00 0.00 H new ATOM 1618 N MET A 106 -1.594 16.168 2.395 1.00 0.00 N ATOM 1619 CA MET A 106 -2.443 15.351 3.247 1.00 0.00 C ATOM 1620 C MET A 106 -3.874 15.359 2.726 1.00 0.00 C ATOM 1621 O MET A 106 -4.218 16.149 1.853 1.00 0.00 O ATOM 1622 CB MET A 106 -2.405 15.864 4.689 1.00 0.00 C ATOM 1623 CG MET A 106 -3.023 17.242 4.863 1.00 0.00 C ATOM 1624 SD MET A 106 -1.984 18.352 5.831 1.00 0.00 S ATOM 1625 CE MET A 106 -0.640 18.642 4.683 1.00 0.00 C ATOM 0 H MET A 106 -1.869 17.149 2.353 1.00 0.00 H new ATOM 0 HA MET A 106 -2.068 14.328 3.231 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.930 15.156 5.331 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.369 15.894 5.027 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.202 17.682 3.882 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.993 17.142 5.350 1.00 0.00 H new ATOM 0 HE1 MET A 106 0.249 18.949 5.234 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.428 17.726 4.132 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.923 19.428 3.983 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.607 16.910 -0.842 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.223 17.044 -0.417 1.00 0.00 C ATOM 1727 C TRP A 113 -5.953 18.419 0.148 1.00 0.00 C ATOM 1728 O TRP A 113 -6.668 19.378 -0.132 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.261 16.888 -1.590 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.167 15.528 -2.188 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.997 14.462 -2.008 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.165 15.114 -3.109 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.564 13.403 -2.771 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.434 13.780 -3.453 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.060 15.756 -3.672 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.633 13.068 -4.343 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.264 15.051 -4.556 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.554 13.719 -4.884 1.00 0.00 C ATOM 0 HA TRP A 113 -6.068 16.266 0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.559 17.586 -2.372 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.266 17.186 -1.259 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.864 14.451 -1.364 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.010 12.487 -2.822 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.832 16.782 -3.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -3.853 12.042 -4.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.406 15.534 -5.000 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.914 13.194 -5.578 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.865 18.510 0.883 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.413 19.764 1.426 1.00 0.00 C ATOM 1751 C ASN A 114 -2.896 19.796 1.347 1.00 0.00 C ATOM 1752 O ASN A 114 -2.217 18.942 1.914 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.880 19.932 2.873 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.370 20.190 2.973 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.096 19.457 3.647 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.837 21.237 2.302 1.00 0.00 N ATOM 0 H ASN A 114 -4.272 17.714 1.118 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.835 20.588 0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.631 19.034 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.339 20.759 3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.832 21.460 2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.201 21.818 1.756 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.371 20.775 0.632 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.935 20.910 0.463 1.00 0.00 C ATOM 1765 C ASP A 115 -0.331 21.781 1.562 1.00 0.00 C ATOM 1766 O ASP A 115 -0.469 23.005 1.546 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.626 21.499 -0.911 1.00 0.00 C ATOM 1768 CG ASP A 115 0.865 21.581 -1.168 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.492 20.522 -1.376 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.408 22.706 -1.153 1.00 0.00 O ATOM 0 H ASP A 115 -2.920 21.491 0.157 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.486 19.919 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.094 20.887 -1.682 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -1.063 22.495 -0.986 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.584 10.884 11.266 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.689 9.749 12.166 1.00 0.00 C ATOM 1893 C GLY A 123 -3.888 8.429 11.443 1.00 0.00 C ATOM 1894 O GLY A 123 -4.287 7.439 12.056 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.786 9.691 12.774 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.523 9.911 12.849 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.610 8.406 10.141 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.767 7.189 9.355 1.00 0.00 C ATOM 1900 C ALA A 124 -2.711 7.100 8.258 1.00 0.00 C ATOM 1901 O ALA A 124 -2.515 8.047 7.497 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.162 7.125 8.754 1.00 0.00 C ATOM 0 H ALA A 124 -3.277 9.212 9.613 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.631 6.337 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.265 6.211 8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.903 7.130 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.320 7.988 8.108 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.040 5.953 8.175 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.015 5.742 7.163 1.00 0.00 C ATOM 1910 C TRP A 125 -1.573 4.918 6.012 1.00 0.00 C ATOM 1911 O TRP A 125 -2.236 3.897 6.226 1.00 0.00 O ATOM 1912 CB TRP A 125 0.204 5.043 7.767 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.125 3.730 8.406 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.648 3.537 9.648 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.045 2.429 7.833 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.819 2.197 9.886 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.399 1.493 8.787 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.528 1.962 6.606 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.375 0.122 8.553 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.552 0.599 6.376 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.103 -0.307 7.345 1.00 0.00 C ATOM 0 H TRP A 125 -2.190 5.158 8.797 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.703 6.715 6.783 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.947 4.883 6.986 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.659 5.698 8.510 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.893 4.325 10.345 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.197 1.790 10.742 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.876 2.653 5.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.721 -0.579 9.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.923 0.226 5.433 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.135 -1.366 7.134 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.319 5.370 4.791 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.817 4.673 3.623 1.00 0.00 C ATOM 1934 C VAL A 126 -0.736 4.468 2.556 1.00 0.00 C ATOM 1935 O VAL A 126 -0.051 5.406 2.149 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.033 5.407 3.020 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.021 6.876 3.387 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.102 5.223 1.513 1.00 0.00 C ATOM 0 H VAL A 126 -0.775 6.209 4.589 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.130 3.685 3.960 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.930 4.961 3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.889 7.368 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.054 6.980 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.111 7.339 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -3.970 5.753 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.196 5.622 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.189 4.162 1.280 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.614 3.219 2.109 1.00 0.00 N ATOM 1949 CA CYS A 127 0.353 2.827 1.077 1.00 0.00 C ATOM 1950 C CYS A 127 -0.278 1.807 0.140 1.00 0.00 C ATOM 1951 O CYS A 127 -1.278 1.200 0.481 1.00 0.00 O ATOM 1952 CB CYS A 127 1.617 2.236 1.696 1.00 0.00 C ATOM 1953 SG CYS A 127 2.435 3.322 2.903 1.00 0.00 S ATOM 0 H CYS A 127 -1.184 2.445 2.452 1.00 0.00 H new ATOM 0 HA CYS A 127 0.631 3.721 0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.363 1.295 2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.323 2.001 0.899 1.00 0.00 H new ATOM 1958 N ASP A 128 0.299 1.600 -1.033 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.261 0.631 -1.957 1.00 0.00 C ATOM 1960 C ASP A 128 0.779 -0.384 -2.397 1.00 0.00 C ATOM 1961 O ASP A 128 1.949 -0.062 -2.586 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.852 1.337 -3.180 1.00 0.00 C ATOM 1963 CG ASP A 128 0.063 2.409 -3.737 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.285 2.339 -3.484 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.440 3.320 -4.427 1.00 0.00 O ATOM 0 H ASP A 128 1.137 2.079 -1.362 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.054 0.098 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.056 0.600 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.807 1.786 -2.908 1.00 0.00 H new ATOM 1970 N ARG A 129 0.321 -1.615 -2.562 1.00 0.00 N ATOM 1971 CA ARG A 129 1.173 -2.718 -2.985 1.00 0.00 C ATOM 1972 C ARG A 129 0.333 -3.792 -3.658 1.00 0.00 C ATOM 1973 O ARG A 129 -0.893 -3.734 -3.626 1.00 0.00 O ATOM 1974 CB ARG A 129 1.918 -3.311 -1.785 1.00 0.00 C ATOM 1975 CG ARG A 129 1.095 -4.300 -0.974 1.00 0.00 C ATOM 1976 CD ARG A 129 1.867 -5.583 -0.711 1.00 0.00 C ATOM 1977 NE ARG A 129 2.657 -5.995 -1.868 1.00 0.00 N ATOM 1978 CZ ARG A 129 3.665 -6.860 -1.804 1.00 0.00 C ATOM 1979 NH1 ARG A 129 4.006 -7.400 -0.641 1.00 0.00 N ATOM 1980 NH2 ARG A 129 4.333 -7.185 -2.903 1.00 0.00 N ATOM 0 H ARG A 129 -0.652 -1.879 -2.407 1.00 0.00 H new ATOM 0 HA ARG A 129 1.907 -2.339 -3.696 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.820 -3.810 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.239 -2.499 -1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.809 -3.845 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.173 -4.532 -1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.526 -5.440 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.169 -6.378 -0.447 1.00 0.00 H new ATOM 0 HE ARG A 129 2.422 -5.597 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.495 -7.152 0.206 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.779 -8.063 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 129 4.074 -6.771 -3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 129 5.106 -7.849 -2.852 1.00 0.00 H new ATOM 1994 N LEU A 130 0.990 -4.773 -4.256 1.00 0.00 N ATOM 1995 CA LEU A 130 0.280 -5.856 -4.925 1.00 0.00 C ATOM 1996 C LEU A 130 -0.226 -6.879 -3.913 1.00 0.00 C ATOM 1997 O LEU A 130 0.480 -7.232 -2.968 1.00 0.00 O ATOM 1998 CB LEU A 130 1.188 -6.525 -5.961 1.00 0.00 C ATOM 1999 CG LEU A 130 1.258 -5.828 -7.327 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.566 -6.668 -8.389 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.642 -4.431 -7.272 1.00 0.00 C ATOM 0 H LEU A 130 2.007 -4.844 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.584 -5.435 -5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.196 -6.584 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.845 -7.549 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 130 2.310 -5.721 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.625 -6.159 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.056 -7.639 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.480 -6.809 -8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.708 -3.965 -8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.404 -4.506 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.182 -3.823 -6.546 1.00 0.00 H new