USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 474 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 160:sc= -0.0563 (180deg=-0.781) USER MOD Single : A 19 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.24) USER MOD Single : A 34 SER OG : rot -36:sc= 0.0206 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -159:sc= -0.109 (180deg=-1.2) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 176:sc= 0.685 USER MOD Single : A 74 THR OG1 : rot 43:sc= 1.25 USER MOD Single : A 76 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.0018) USER MOD Single : A 86 GLN : amide:sc= 0.203 X(o=0.2,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 1.424 10.041 -2.183 1.00 52.21 N ATOM 164 CA ARG A 13 1.450 8.900 -3.125 1.00 0.13 C ATOM 165 C ARG A 13 1.401 7.497 -2.494 1.00 71.24 C ATOM 166 O ARG A 13 1.440 6.502 -3.227 1.00 72.12 O ATOM 167 CB ARG A 13 2.700 8.995 -4.018 1.00 34.33 C ATOM 168 CG ARG A 13 2.747 10.250 -4.888 1.00 24.34 C ATOM 169 CD ARG A 13 4.194 10.542 -5.302 1.00 35.10 C ATOM 170 NE ARG A 13 4.256 11.337 -6.534 1.00 13.20 N ATOM 171 CZ ARG A 13 4.735 12.569 -6.711 1.00 42.11 C ATOM 172 NH1 ARG A 13 5.339 13.226 -5.731 1.00 44.01 N ATOM 173 NH2 ARG A 13 4.646 13.109 -7.924 1.00 62.21 N ATOM 0 HA ARG A 13 0.524 8.996 -3.691 1.00 0.13 H new ATOM 0 HB2 ARG A 13 3.588 8.969 -3.387 1.00 34.33 H new ATOM 0 HB3 ARG A 13 2.742 8.117 -4.662 1.00 34.33 H new ATOM 0 HG2 ARG A 13 2.126 10.113 -5.774 1.00 24.34 H new ATOM 0 HG3 ARG A 13 2.338 11.099 -4.340 1.00 24.34 H new ATOM 0 HD2 ARG A 13 4.702 11.076 -4.499 1.00 35.10 H new ATOM 0 HD3 ARG A 13 4.727 9.603 -5.448 1.00 35.10 H new ATOM 0 HE ARG A 13 3.882 10.886 -7.369 1.00 13.20 H new ATOM 0 HH11 ARG A 13 5.446 12.790 -4.815 1.00 44.01 H new ATOM 0 HH12 ARG A 13 5.696 14.168 -5.893 1.00 44.01 H new ATOM 0 HH21 ARG A 13 4.220 12.582 -8.687 1.00 62.21 H new ATOM 0 HH22 ARG A 13 5.003 14.050 -8.091 1.00 62.21 H new ATOM 184 N THR A 14 1.332 7.371 -1.176 1.00 11.31 N ATOM 185 CA THR A 14 1.708 6.146 -0.488 1.00 64.33 C ATOM 186 C THR A 14 0.449 5.378 -0.074 1.00 62.41 C ATOM 187 O THR A 14 -0.581 5.983 0.237 1.00 40.42 O ATOM 188 CB THR A 14 2.634 6.554 0.670 1.00 41.43 C ATOM 189 OG1 THR A 14 3.815 7.130 0.143 1.00 1.31 O ATOM 190 CG2 THR A 14 3.056 5.392 1.570 1.00 40.25 C ATOM 0 H THR A 14 1.014 8.115 -0.555 1.00 11.31 H new ATOM 0 HA THR A 14 2.258 5.449 -1.121 1.00 64.33 H new ATOM 0 HB THR A 14 2.059 7.253 1.277 1.00 41.43 H new ATOM 0 HG1 THR A 14 4.407 7.393 0.878 1.00 1.31 H new ATOM 0 HG21 THR A 14 3.707 5.763 2.361 1.00 40.25 H new ATOM 0 HG22 THR A 14 2.171 4.935 2.013 1.00 40.25 H new ATOM 0 HG23 THR A 14 3.591 4.649 0.978 1.00 40.25 H new ATOM 198 N VAL A 15 0.524 4.046 -0.039 1.00 15.43 N ATOM 199 CA VAL A 15 -0.582 3.150 0.295 1.00 52.15 C ATOM 200 C VAL A 15 -0.161 2.215 1.422 1.00 1.32 C ATOM 201 O VAL A 15 0.941 1.671 1.421 1.00 23.44 O ATOM 202 CB VAL A 15 -1.066 2.375 -0.951 1.00 1.34 C ATOM 203 CG1 VAL A 15 -1.947 3.303 -1.791 1.00 72.43 C ATOM 204 CG2 VAL A 15 0.074 1.767 -1.791 1.00 62.15 C ATOM 0 H VAL A 15 1.387 3.545 -0.250 1.00 15.43 H new ATOM 0 HA VAL A 15 -1.429 3.741 0.643 1.00 52.15 H new ATOM 0 HB VAL A 15 -1.641 1.516 -0.605 1.00 1.34 H new ATOM 0 HG11 VAL A 15 -2.297 2.770 -2.675 1.00 72.43 H new ATOM 0 HG12 VAL A 15 -2.803 3.626 -1.199 1.00 72.43 H new ATOM 0 HG13 VAL A 15 -1.369 4.175 -2.098 1.00 72.43 H new ATOM 0 HG21 VAL A 15 -0.346 1.240 -2.647 1.00 62.15 H new ATOM 0 HG22 VAL A 15 0.732 2.562 -2.142 1.00 62.15 H new ATOM 0 HG23 VAL A 15 0.644 1.068 -1.179 1.00 62.15 H new ATOM 214 N PHE A 16 -1.051 2.049 2.402 1.00 21.43 N ATOM 215 CA PHE A 16 -0.817 1.265 3.601 1.00 24.33 C ATOM 216 C PHE A 16 -1.475 -0.106 3.454 1.00 34.14 C ATOM 217 O PHE A 16 -2.702 -0.227 3.498 1.00 14.11 O ATOM 218 CB PHE A 16 -1.316 2.028 4.831 1.00 0.24 C ATOM 219 CG PHE A 16 -1.193 1.253 6.126 1.00 71.12 C ATOM 220 CD1 PHE A 16 0.004 0.585 6.446 1.00 3.21 C ATOM 221 CD2 PHE A 16 -2.288 1.177 7.004 1.00 72.43 C ATOM 222 CE1 PHE A 16 0.090 -0.187 7.612 1.00 15.12 C ATOM 223 CE2 PHE A 16 -2.185 0.449 8.199 1.00 12.30 C ATOM 224 CZ PHE A 16 -1.004 -0.252 8.487 1.00 11.24 C ATOM 0 H PHE A 16 -1.979 2.471 2.376 1.00 21.43 H new ATOM 0 HA PHE A 16 0.252 1.101 3.739 1.00 24.33 H new ATOM 0 HB2 PHE A 16 -0.755 2.958 4.921 1.00 0.24 H new ATOM 0 HB3 PHE A 16 -2.361 2.299 4.679 1.00 0.24 H new ATOM 0 HD1 PHE A 16 0.859 0.668 5.791 1.00 3.21 H new ATOM 0 HD2 PHE A 16 -3.211 1.680 6.758 1.00 72.43 H new ATOM 0 HE1 PHE A 16 0.996 -0.730 7.836 1.00 15.12 H new ATOM 0 HE2 PHE A 16 -3.011 0.428 8.894 1.00 12.30 H new ATOM 0 HZ PHE A 16 -0.937 -0.845 9.387 1.00 11.24 H new ATOM 233 N CYS A 17 -0.644 -1.123 3.251 1.00 22.31 N ATOM 234 CA CYS A 17 -1.007 -2.502 2.977 1.00 52.24 C ATOM 235 C CYS A 17 -1.054 -3.281 4.292 1.00 14.21 C ATOM 236 O CYS A 17 -0.066 -3.912 4.682 1.00 20.11 O ATOM 237 CB CYS A 17 0.031 -3.100 2.019 1.00 55.31 C ATOM 238 SG CYS A 17 0.113 -2.134 0.486 1.00 31.14 S ATOM 0 H CYS A 17 0.367 -0.993 3.276 1.00 22.31 H new ATOM 0 HA CYS A 17 -1.991 -2.557 2.511 1.00 52.24 H new ATOM 0 HB2 CYS A 17 1.010 -3.116 2.498 1.00 55.31 H new ATOM 0 HB3 CYS A 17 -0.229 -4.134 1.791 1.00 55.31 H new ATOM 0 HG CYS A 17 0.999 -2.657 -0.309 1.00 31.14 H new ATOM 243 N MET A 18 -2.177 -3.213 5.013 1.00 72.32 N ATOM 244 CA MET A 18 -2.263 -3.766 6.366 1.00 23.44 C ATOM 245 C MET A 18 -2.747 -5.234 6.397 1.00 11.03 C ATOM 246 O MET A 18 -3.616 -5.589 7.199 1.00 24.14 O ATOM 247 CB MET A 18 -3.078 -2.845 7.286 1.00 20.43 C ATOM 248 CG MET A 18 -2.744 -3.155 8.757 1.00 0.23 C ATOM 249 SD MET A 18 -3.551 -2.157 10.034 1.00 74.15 S ATOM 250 CE MET A 18 -5.274 -2.619 9.758 1.00 22.34 C ATOM 0 H MET A 18 -3.039 -2.780 4.681 1.00 72.32 H new ATOM 0 HA MET A 18 -1.248 -3.802 6.761 1.00 23.44 H new ATOM 0 HB2 MET A 18 -2.853 -1.802 7.064 1.00 20.43 H new ATOM 0 HB3 MET A 18 -4.144 -2.987 7.107 1.00 20.43 H new ATOM 0 HG2 MET A 18 -2.990 -4.200 8.943 1.00 0.23 H new ATOM 0 HG3 MET A 18 -1.666 -3.054 8.884 1.00 0.23 H new ATOM 0 HE1 MET A 18 -5.859 -2.392 10.649 1.00 22.34 H new ATOM 0 HE2 MET A 18 -5.670 -2.058 8.911 1.00 22.34 H new ATOM 0 HE3 MET A 18 -5.335 -3.687 9.546 1.00 22.34 H new ATOM 258 N GLN A 19 -2.280 -6.092 5.481 1.00 4.31 N ATOM 259 CA GLN A 19 -2.831 -7.452 5.363 1.00 73.22 C ATOM 260 C GLN A 19 -1.847 -8.469 4.760 1.00 24.44 C ATOM 261 O GLN A 19 -2.252 -9.454 4.137 1.00 20.20 O ATOM 262 CB GLN A 19 -4.191 -7.373 4.630 1.00 40.32 C ATOM 263 CG GLN A 19 -5.292 -8.089 5.426 1.00 1.20 C ATOM 264 CD GLN A 19 -6.708 -7.684 5.022 1.00 71.54 C ATOM 265 OE1 GLN A 19 -7.578 -7.505 5.870 1.00 11.22 O ATOM 266 NE2 GLN A 19 -6.978 -7.506 3.739 1.00 63.53 N ATOM 0 H GLN A 19 -1.534 -5.876 4.820 1.00 4.31 H new ATOM 0 HA GLN A 19 -3.003 -7.851 6.363 1.00 73.22 H new ATOM 0 HB2 GLN A 19 -4.467 -6.329 4.481 1.00 40.32 H new ATOM 0 HB3 GLN A 19 -4.101 -7.824 3.642 1.00 40.32 H new ATOM 0 HG2 GLN A 19 -5.181 -9.165 5.295 1.00 1.20 H new ATOM 0 HG3 GLN A 19 -5.154 -7.881 6.487 1.00 1.20 H new ATOM 0 HE21 GLN A 19 -6.251 -7.656 3.039 1.00 63.53 H new ATOM 0 HE22 GLN A 19 -7.913 -7.219 3.450 1.00 63.53 H new ATOM 273 N LEU A 20 -0.543 -8.232 4.929 1.00 21.33 N ATOM 274 CA LEU A 20 0.503 -9.038 4.297 1.00 55.35 C ATOM 275 C LEU A 20 0.501 -10.473 4.838 1.00 21.21 C ATOM 276 O LEU A 20 0.152 -10.690 6.001 1.00 24.33 O ATOM 277 CB LEU A 20 1.903 -8.421 4.477 1.00 44.33 C ATOM 278 CG LEU A 20 2.014 -6.901 4.238 1.00 13.42 C ATOM 279 CD1 LEU A 20 3.483 -6.477 4.165 1.00 64.54 C ATOM 280 CD2 LEU A 20 1.268 -6.450 2.985 1.00 40.24 C ATOM 0 H LEU A 20 -0.183 -7.474 5.509 1.00 21.33 H new ATOM 0 HA LEU A 20 0.275 -9.056 3.231 1.00 55.35 H new ATOM 0 HB2 LEU A 20 2.243 -8.634 5.490 1.00 44.33 H new ATOM 0 HB3 LEU A 20 2.590 -8.926 3.797 1.00 44.33 H new ATOM 0 HG LEU A 20 1.539 -6.410 5.087 1.00 13.42 H new ATOM 0 HD11 LEU A 20 3.543 -5.402 3.996 1.00 64.54 H new ATOM 0 HD12 LEU A 20 3.980 -6.725 5.103 1.00 64.54 H new ATOM 0 HD13 LEU A 20 3.973 -7.001 3.344 1.00 64.54 H new ATOM 0 HD21 LEU A 20 1.378 -5.372 2.864 1.00 40.24 H new ATOM 0 HD22 LEU A 20 1.681 -6.957 2.113 1.00 40.24 H new ATOM 0 HD23 LEU A 20 0.211 -6.698 3.082 1.00 40.24 H new ATOM 291 N ALA A 21 0.949 -11.442 4.028 1.00 44.11 N ATOM 292 CA ALA A 21 1.088 -12.831 4.458 1.00 71.12 C ATOM 293 C ALA A 21 2.437 -13.076 5.139 1.00 44.05 C ATOM 294 O ALA A 21 3.359 -12.261 5.047 1.00 34.10 O ATOM 295 CB ALA A 21 0.910 -13.801 3.293 1.00 34.23 C ATOM 0 H ALA A 21 1.224 -11.281 3.059 1.00 44.11 H new ATOM 0 HA ALA A 21 0.296 -13.015 5.183 1.00 71.12 H new ATOM 0 HB1 ALA A 21 1.020 -14.824 3.652 1.00 34.23 H new ATOM 0 HB2 ALA A 21 -0.083 -13.673 2.861 1.00 34.23 H new ATOM 0 HB3 ALA A 21 1.665 -13.599 2.533 1.00 34.23 H new ATOM 301 N ALA A 22 2.571 -14.237 5.783 1.00 43.12 N ATOM 302 CA ALA A 22 3.688 -14.568 6.664 1.00 32.31 C ATOM 303 C ALA A 22 5.035 -14.696 5.943 1.00 44.01 C ATOM 304 O ALA A 22 6.084 -14.573 6.579 1.00 13.32 O ATOM 305 CB ALA A 22 3.380 -15.905 7.337 1.00 21.23 C ATOM 0 H ALA A 22 1.888 -14.990 5.703 1.00 43.12 H new ATOM 0 HA ALA A 22 3.786 -13.747 7.374 1.00 32.31 H new ATOM 0 HB1 ALA A 22 4.201 -16.175 8.002 1.00 21.23 H new ATOM 0 HB2 ALA A 22 2.459 -15.818 7.914 1.00 21.23 H new ATOM 0 HB3 ALA A 22 3.260 -16.676 6.576 1.00 21.23 H new ATOM 311 N ARG A 23 5.010 -14.982 4.638 1.00 35.54 N ATOM 312 CA ARG A 23 6.164 -15.416 3.848 1.00 60.10 C ATOM 313 C ARG A 23 6.501 -14.404 2.745 1.00 43.35 C ATOM 314 O ARG A 23 7.307 -14.697 1.864 1.00 22.53 O ATOM 315 CB ARG A 23 5.862 -16.838 3.326 1.00 73.53 C ATOM 316 CG ARG A 23 7.095 -17.594 2.800 1.00 54.41 C ATOM 317 CD ARG A 23 7.109 -19.076 3.208 1.00 62.43 C ATOM 318 NE ARG A 23 5.962 -19.833 2.677 1.00 54.00 N ATOM 319 CZ ARG A 23 5.552 -21.034 3.107 1.00 51.21 C ATOM 320 NH1 ARG A 23 6.246 -21.706 4.022 1.00 24.43 N ATOM 321 NH2 ARG A 23 4.433 -21.557 2.628 1.00 43.21 N ATOM 0 H ARG A 23 4.156 -14.915 4.084 1.00 35.54 H new ATOM 0 HA ARG A 23 7.066 -15.458 4.459 1.00 60.10 H new ATOM 0 HB2 ARG A 23 5.409 -17.419 4.130 1.00 73.53 H new ATOM 0 HB3 ARG A 23 5.124 -16.770 2.527 1.00 73.53 H new ATOM 0 HG2 ARG A 23 7.122 -17.522 1.713 1.00 54.41 H new ATOM 0 HG3 ARG A 23 7.998 -17.111 3.174 1.00 54.41 H new ATOM 0 HD2 ARG A 23 8.033 -19.535 2.857 1.00 62.43 H new ATOM 0 HD3 ARG A 23 7.111 -19.147 4.296 1.00 62.43 H new ATOM 0 HE ARG A 23 5.434 -19.406 1.916 1.00 54.00 H new ATOM 0 HH11 ARG A 23 7.103 -21.308 4.406 1.00 24.43 H new ATOM 0 HH12 ARG A 23 5.921 -22.619 4.339 1.00 24.43 H new ATOM 0 HH21 ARG A 23 3.887 -21.046 1.934 1.00 43.21 H new ATOM 0 HH22 ARG A 23 4.117 -22.471 2.953 1.00 43.21 H new ATOM 332 N ILE A 24 5.879 -13.225 2.781 1.00 14.01 N ATOM 333 CA ILE A 24 5.971 -12.195 1.759 1.00 73.52 C ATOM 334 C ILE A 24 7.429 -11.778 1.503 1.00 62.55 C ATOM 335 O ILE A 24 8.208 -11.634 2.452 1.00 51.03 O ATOM 336 CB ILE A 24 5.042 -11.034 2.189 1.00 62.54 C ATOM 337 CG1 ILE A 24 4.872 -10.019 1.051 1.00 24.41 C ATOM 338 CG2 ILE A 24 5.487 -10.319 3.480 1.00 62.45 C ATOM 339 CD1 ILE A 24 3.439 -9.514 0.902 1.00 72.44 C ATOM 0 H ILE A 24 5.274 -12.956 3.557 1.00 14.01 H new ATOM 0 HA ILE A 24 5.633 -12.567 0.792 1.00 73.52 H new ATOM 0 HB ILE A 24 4.081 -11.497 2.414 1.00 62.54 H new ATOM 0 HG12 ILE A 24 5.532 -9.170 1.229 1.00 24.41 H new ATOM 0 HG13 ILE A 24 5.188 -10.478 0.114 1.00 24.41 H new ATOM 0 HG21 ILE A 24 4.785 -9.519 3.713 1.00 62.45 H new ATOM 0 HG22 ILE A 24 5.509 -11.034 4.303 1.00 62.45 H new ATOM 0 HG23 ILE A 24 6.482 -9.898 3.338 1.00 62.45 H new ATOM 0 HD11 ILE A 24 3.388 -8.800 0.080 1.00 72.44 H new ATOM 0 HD12 ILE A 24 2.777 -10.354 0.694 1.00 72.44 H new ATOM 0 HD13 ILE A 24 3.127 -9.027 1.826 1.00 72.44 H new ATOM 350 N ARG A 25 7.791 -11.563 0.236 1.00 44.32 N ATOM 351 CA ARG A 25 8.997 -10.837 -0.166 1.00 74.34 C ATOM 352 C ARG A 25 8.664 -9.348 -0.250 1.00 20.21 C ATOM 353 O ARG A 25 7.503 -9.007 -0.460 1.00 4.42 O ATOM 354 CB ARG A 25 9.460 -11.307 -1.560 1.00 73.55 C ATOM 355 CG ARG A 25 10.326 -12.574 -1.525 1.00 20.52 C ATOM 356 CD ARG A 25 11.276 -12.556 -2.732 1.00 11.32 C ATOM 357 NE ARG A 25 11.975 -13.835 -2.931 1.00 15.32 N ATOM 358 CZ ARG A 25 11.471 -14.866 -3.626 1.00 32.24 C ATOM 359 NH1 ARG A 25 10.196 -14.857 -3.992 1.00 63.15 N ATOM 360 NH2 ARG A 25 12.233 -15.903 -3.953 1.00 32.23 N ATOM 0 H ARG A 25 7.241 -11.896 -0.556 1.00 44.32 H new ATOM 0 HA ARG A 25 9.786 -11.022 0.562 1.00 74.34 H new ATOM 0 HB2 ARG A 25 8.584 -11.493 -2.181 1.00 73.55 H new ATOM 0 HB3 ARG A 25 10.024 -10.505 -2.036 1.00 73.55 H new ATOM 0 HG2 ARG A 25 10.896 -12.617 -0.597 1.00 20.52 H new ATOM 0 HG3 ARG A 25 9.696 -13.463 -1.553 1.00 20.52 H new ATOM 0 HD2 ARG A 25 10.709 -12.314 -3.631 1.00 11.32 H new ATOM 0 HD3 ARG A 25 12.012 -11.763 -2.597 1.00 11.32 H new ATOM 0 HE ARG A 25 12.900 -13.945 -2.515 1.00 15.32 H new ATOM 0 HH11 ARG A 25 9.600 -14.067 -3.745 1.00 63.15 H new ATOM 0 HH12 ARG A 25 9.812 -15.640 -4.520 1.00 63.15 H new ATOM 0 HH21 ARG A 25 13.214 -15.922 -3.676 1.00 32.23 H new ATOM 0 HH22 ARG A 25 11.837 -16.680 -4.482 1.00 32.23 H new ATOM 371 N PRO A 26 9.658 -8.440 -0.230 1.00 53.34 N ATOM 372 CA PRO A 26 9.419 -7.028 -0.487 1.00 24.53 C ATOM 373 C PRO A 26 8.780 -6.824 -1.862 1.00 64.23 C ATOM 374 O PRO A 26 7.816 -6.076 -1.986 1.00 4.11 O ATOM 375 CB PRO A 26 10.782 -6.340 -0.372 1.00 40.11 C ATOM 376 CG PRO A 26 11.789 -7.461 -0.599 1.00 0.00 C ATOM 377 CD PRO A 26 11.077 -8.682 -0.029 1.00 12.32 C ATOM 0 HA PRO A 26 8.716 -6.600 0.227 1.00 24.53 H new ATOM 0 HB2 PRO A 26 10.893 -5.549 -1.114 1.00 40.11 H new ATOM 0 HB3 PRO A 26 10.914 -5.879 0.607 1.00 40.11 H new ATOM 0 HG2 PRO A 26 12.022 -7.587 -1.656 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.731 -7.267 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.395 -9.593 -0.537 1.00 12.32 H new ATOM 0 HD3 PRO A 26 11.306 -8.810 1.029 1.00 12.32 H new ATOM 382 N ARG A 27 9.281 -7.503 -2.901 1.00 73.23 N ATOM 383 CA ARG A 27 8.790 -7.292 -4.255 1.00 4.00 C ATOM 384 C ARG A 27 7.311 -7.655 -4.411 1.00 64.55 C ATOM 385 O ARG A 27 6.669 -7.097 -5.293 1.00 71.34 O ATOM 386 CB ARG A 27 9.664 -8.038 -5.277 1.00 2.00 C ATOM 387 CG ARG A 27 9.467 -7.430 -6.673 1.00 53.43 C ATOM 388 CD ARG A 27 10.153 -8.211 -7.787 1.00 62.35 C ATOM 389 NE ARG A 27 11.576 -7.876 -7.891 1.00 52.21 N ATOM 390 CZ ARG A 27 12.465 -8.552 -8.620 1.00 41.22 C ATOM 391 NH1 ARG A 27 12.109 -9.645 -9.283 1.00 13.20 N ATOM 392 NH2 ARG A 27 13.707 -8.095 -8.709 1.00 33.23 N ATOM 0 H ARG A 27 10.023 -8.199 -2.824 1.00 73.23 H new ATOM 0 HA ARG A 27 8.865 -6.223 -4.457 1.00 4.00 H new ATOM 0 HB2 ARG A 27 10.713 -7.974 -4.987 1.00 2.00 H new ATOM 0 HB3 ARG A 27 9.401 -9.096 -5.291 1.00 2.00 H new ATOM 0 HG2 ARG A 27 8.400 -7.372 -6.887 1.00 53.43 H new ATOM 0 HG3 ARG A 27 9.847 -6.408 -6.671 1.00 53.43 H new ATOM 0 HD2 ARG A 27 10.044 -9.280 -7.602 1.00 62.35 H new ATOM 0 HD3 ARG A 27 9.660 -8.000 -8.736 1.00 62.35 H new ATOM 0 HE ARG A 27 11.911 -7.067 -7.368 1.00 52.21 H new ATOM 0 HH11 ARG A 27 11.146 -9.977 -9.239 1.00 13.20 H new ATOM 0 HH12 ARG A 27 12.799 -10.153 -9.837 1.00 13.20 H new ATOM 0 HH21 ARG A 27 13.971 -7.238 -8.224 1.00 33.23 H new ATOM 0 HH22 ARG A 27 14.398 -8.601 -9.263 1.00 33.23 H new ATOM 403 N ASP A 28 6.728 -8.513 -3.569 1.00 31.23 N ATOM 404 CA ASP A 28 5.317 -8.886 -3.742 1.00 44.33 C ATOM 405 C ASP A 28 4.392 -7.668 -3.642 1.00 13.23 C ATOM 406 O ASP A 28 3.275 -7.706 -4.172 1.00 53.15 O ATOM 407 CB ASP A 28 4.858 -9.917 -2.705 1.00 14.32 C ATOM 408 CG ASP A 28 5.509 -11.294 -2.850 1.00 44.02 C ATOM 409 OD1 ASP A 28 5.630 -11.799 -3.987 1.00 41.03 O ATOM 410 OD2 ASP A 28 5.909 -11.898 -1.830 1.00 0.03 O ATOM 0 H ASP A 28 7.196 -8.955 -2.778 1.00 31.23 H new ATOM 0 HA ASP A 28 5.251 -9.322 -4.739 1.00 44.33 H new ATOM 0 HB2 ASP A 28 5.071 -9.531 -1.708 1.00 14.32 H new ATOM 0 HB3 ASP A 28 3.776 -10.031 -2.778 1.00 14.32 H new ATOM 414 N LEU A 29 4.846 -6.605 -2.969 1.00 0.24 N ATOM 415 CA LEU A 29 4.092 -5.379 -2.754 1.00 43.13 C ATOM 416 C LEU A 29 4.121 -4.443 -3.963 1.00 24.44 C ATOM 417 O LEU A 29 3.190 -3.654 -4.103 1.00 53.23 O ATOM 418 CB LEU A 29 4.635 -4.629 -1.523 1.00 42.44 C ATOM 419 CG LEU A 29 4.470 -5.291 -0.140 1.00 2.10 C ATOM 420 CD1 LEU A 29 3.110 -5.960 0.015 1.00 41.32 C ATOM 421 CD2 LEU A 29 5.539 -6.328 0.224 1.00 11.13 C ATOM 0 H LEU A 29 5.775 -6.580 -2.550 1.00 0.24 H new ATOM 0 HA LEU A 29 3.056 -5.678 -2.592 1.00 43.13 H new ATOM 0 HB2 LEU A 29 5.698 -4.451 -1.683 1.00 42.44 H new ATOM 0 HB3 LEU A 29 4.150 -3.653 -1.486 1.00 42.44 H new ATOM 0 HG LEU A 29 4.578 -4.449 0.544 1.00 2.10 H new ATOM 0 HD11 LEU A 29 3.038 -6.413 1.004 1.00 41.32 H new ATOM 0 HD12 LEU A 29 2.323 -5.215 -0.101 1.00 41.32 H new ATOM 0 HD13 LEU A 29 2.995 -6.731 -0.747 1.00 41.32 H new ATOM 0 HD21 LEU A 29 5.331 -6.733 1.215 1.00 11.13 H new ATOM 0 HD22 LEU A 29 5.526 -7.136 -0.508 1.00 11.13 H new ATOM 0 HD23 LEU A 29 6.521 -5.854 0.224 1.00 11.13 H new ATOM 432 N GLU A 30 5.135 -4.508 -4.831 1.00 20.41 N ATOM 433 CA GLU A 30 5.143 -3.761 -6.085 1.00 74.55 C ATOM 434 C GLU A 30 4.600 -4.639 -7.207 1.00 64.51 C ATOM 435 O GLU A 30 3.829 -4.141 -8.016 1.00 73.11 O ATOM 436 CB GLU A 30 6.525 -3.168 -6.427 1.00 11.10 C ATOM 437 CG GLU A 30 7.714 -4.057 -6.050 1.00 64.45 C ATOM 438 CD GLU A 30 9.063 -3.595 -6.611 1.00 31.41 C ATOM 439 OE1 GLU A 30 9.738 -2.769 -5.950 1.00 52.03 O ATOM 440 OE2 GLU A 30 9.491 -4.126 -7.661 1.00 75.53 O ATOM 0 H GLU A 30 5.968 -5.078 -4.682 1.00 20.41 H new ATOM 0 HA GLU A 30 4.487 -2.899 -5.964 1.00 74.55 H new ATOM 0 HB2 GLU A 30 6.564 -2.967 -7.498 1.00 11.10 H new ATOM 0 HB3 GLU A 30 6.630 -2.210 -5.919 1.00 11.10 H new ATOM 0 HG2 GLU A 30 7.785 -4.104 -4.963 1.00 64.45 H new ATOM 0 HG3 GLU A 30 7.518 -5.070 -6.401 1.00 64.45 H new ATOM 445 N GLU A 31 4.916 -5.936 -7.240 1.00 12.21 N ATOM 446 CA GLU A 31 4.501 -6.859 -8.300 1.00 64.53 C ATOM 447 C GLU A 31 2.980 -6.940 -8.450 1.00 64.24 C ATOM 448 O GLU A 31 2.497 -7.227 -9.546 1.00 21.21 O ATOM 449 CB GLU A 31 5.075 -8.258 -8.023 1.00 43.41 C ATOM 450 CG GLU A 31 6.493 -8.418 -8.588 1.00 34.42 C ATOM 451 CD GLU A 31 6.482 -8.967 -10.012 1.00 2.31 C ATOM 452 OE1 GLU A 31 5.877 -8.334 -10.903 1.00 75.24 O ATOM 453 OE2 GLU A 31 7.094 -10.038 -10.260 1.00 75.54 O ATOM 0 H GLU A 31 5.479 -6.383 -6.516 1.00 12.21 H new ATOM 0 HA GLU A 31 4.894 -6.470 -9.239 1.00 64.53 H new ATOM 0 HB2 GLU A 31 5.090 -8.438 -6.948 1.00 43.41 H new ATOM 0 HB3 GLU A 31 4.422 -9.012 -8.463 1.00 43.41 H new ATOM 0 HG2 GLU A 31 6.999 -7.453 -8.575 1.00 34.42 H new ATOM 0 HG3 GLU A 31 7.066 -9.087 -7.946 1.00 34.42 H new ATOM 458 N PHE A 32 2.222 -6.690 -7.380 1.00 14.13 N ATOM 459 CA PHE A 32 0.775 -6.577 -7.459 1.00 4.10 C ATOM 460 C PHE A 32 0.395 -5.290 -8.201 1.00 72.55 C ATOM 461 O PHE A 32 -0.188 -5.351 -9.283 1.00 61.34 O ATOM 462 CB PHE A 32 0.164 -6.667 -6.057 1.00 4.02 C ATOM 463 CG PHE A 32 -1.350 -6.670 -6.076 1.00 15.03 C ATOM 464 CD1 PHE A 32 -2.039 -7.589 -6.887 1.00 11.32 C ATOM 465 CD2 PHE A 32 -2.079 -5.763 -5.290 1.00 35.10 C ATOM 466 CE1 PHE A 32 -3.440 -7.613 -6.905 1.00 22.50 C ATOM 467 CE2 PHE A 32 -3.484 -5.789 -5.304 1.00 24.31 C ATOM 468 CZ PHE A 32 -4.168 -6.714 -6.108 1.00 2.12 C ATOM 0 H PHE A 32 2.598 -6.562 -6.441 1.00 14.13 H new ATOM 0 HA PHE A 32 0.363 -7.407 -8.033 1.00 4.10 H new ATOM 0 HB2 PHE A 32 0.518 -7.575 -5.569 1.00 4.02 H new ATOM 0 HB3 PHE A 32 0.514 -5.826 -5.459 1.00 4.02 H new ATOM 0 HD1 PHE A 32 -1.484 -8.282 -7.501 1.00 11.32 H new ATOM 0 HD2 PHE A 32 -1.559 -5.044 -4.674 1.00 35.10 H new ATOM 0 HE1 PHE A 32 -3.960 -8.323 -7.532 1.00 22.50 H new ATOM 0 HE2 PHE A 32 -4.040 -5.094 -4.693 1.00 24.31 H new ATOM 0 HZ PHE A 32 -5.248 -6.735 -6.114 1.00 2.12 H new ATOM 477 N PHE A 33 0.730 -4.121 -7.641 1.00 55.45 N ATOM 478 CA PHE A 33 0.296 -2.844 -8.201 1.00 22.51 C ATOM 479 C PHE A 33 0.925 -2.543 -9.566 1.00 75.14 C ATOM 480 O PHE A 33 0.350 -1.788 -10.347 1.00 72.53 O ATOM 481 CB PHE A 33 0.601 -1.693 -7.239 1.00 42.25 C ATOM 482 CG PHE A 33 0.122 -1.837 -5.806 1.00 51.45 C ATOM 483 CD1 PHE A 33 -1.197 -2.238 -5.521 1.00 55.01 C ATOM 484 CD2 PHE A 33 0.999 -1.542 -4.743 1.00 22.11 C ATOM 485 CE1 PHE A 33 -1.607 -2.380 -4.185 1.00 64.14 C ATOM 486 CE2 PHE A 33 0.583 -1.698 -3.416 1.00 44.32 C ATOM 487 CZ PHE A 33 -0.721 -2.113 -3.134 1.00 54.45 C ATOM 0 H PHE A 33 1.301 -4.038 -6.800 1.00 55.45 H new ATOM 0 HA PHE A 33 -0.781 -2.932 -8.345 1.00 22.51 H new ATOM 0 HB2 PHE A 33 1.681 -1.546 -7.220 1.00 42.25 H new ATOM 0 HB3 PHE A 33 0.163 -0.784 -7.651 1.00 42.25 H new ATOM 0 HD1 PHE A 33 -1.890 -2.435 -6.325 1.00 55.01 H new ATOM 0 HD2 PHE A 33 1.999 -1.193 -4.954 1.00 22.11 H new ATOM 0 HE1 PHE A 33 -2.616 -2.698 -3.966 1.00 64.14 H new ATOM 0 HE2 PHE A 33 1.271 -1.497 -2.608 1.00 44.32 H new ATOM 0 HZ PHE A 33 -1.044 -2.227 -2.110 1.00 54.45 H new ATOM 496 N SER A 34 2.067 -3.153 -9.891 1.00 71.13 N ATOM 497 CA SER A 34 2.732 -3.052 -11.183 1.00 32.42 C ATOM 498 C SER A 34 1.868 -3.658 -12.298 1.00 40.44 C ATOM 499 O SER A 34 2.206 -3.496 -13.471 1.00 32.24 O ATOM 500 CB SER A 34 4.134 -3.684 -11.091 1.00 64.22 C ATOM 501 OG SER A 34 4.984 -3.296 -12.160 1.00 63.12 O ATOM 0 H SER A 34 2.569 -3.751 -9.235 1.00 71.13 H new ATOM 0 HA SER A 34 2.863 -2.003 -11.448 1.00 32.42 H new ATOM 0 HB2 SER A 34 4.595 -3.399 -10.145 1.00 64.22 H new ATOM 0 HB3 SER A 34 4.038 -4.770 -11.085 1.00 64.22 H new ATOM 0 HG SER A 34 4.457 -3.208 -12.982 1.00 63.12 H new ATOM 506 N THR A 35 0.714 -4.271 -12.004 1.00 24.51 N ATOM 507 CA THR A 35 -0.314 -4.497 -13.014 1.00 62.53 C ATOM 508 C THR A 35 -0.678 -3.176 -13.726 1.00 52.12 C ATOM 509 O THR A 35 -1.014 -3.214 -14.910 1.00 64.45 O ATOM 510 CB THR A 35 -1.511 -5.225 -12.368 1.00 11.42 C ATOM 511 OG1 THR A 35 -2.323 -5.882 -13.330 1.00 43.14 O ATOM 512 CG2 THR A 35 -2.401 -4.307 -11.534 1.00 32.11 C ATOM 0 H THR A 35 0.474 -4.617 -11.075 1.00 24.51 H new ATOM 0 HA THR A 35 0.058 -5.151 -13.803 1.00 62.53 H new ATOM 0 HB THR A 35 -1.055 -5.961 -11.706 1.00 11.42 H new ATOM 0 HG1 THR A 35 -3.068 -6.331 -12.878 1.00 43.14 H new ATOM 0 HG21 THR A 35 -3.222 -4.884 -11.109 1.00 32.11 H new ATOM 0 HG22 THR A 35 -1.814 -3.865 -10.729 1.00 32.11 H new ATOM 0 HG23 THR A 35 -2.803 -3.516 -12.167 1.00 32.11 H new ATOM 520 N VAL A 36 -0.581 -2.020 -13.054 1.00 3.21 N ATOM 521 CA VAL A 36 -0.809 -0.692 -13.615 1.00 0.21 C ATOM 522 C VAL A 36 0.150 0.327 -12.978 1.00 41.42 C ATOM 523 O VAL A 36 -0.260 1.287 -12.322 1.00 4.11 O ATOM 524 CB VAL A 36 -2.289 -0.270 -13.491 1.00 63.22 C ATOM 525 CG1 VAL A 36 -3.206 -1.027 -14.463 1.00 11.41 C ATOM 526 CG2 VAL A 36 -2.831 -0.433 -12.063 1.00 12.33 C ATOM 0 H VAL A 36 -0.331 -1.990 -12.066 1.00 3.21 H new ATOM 0 HA VAL A 36 -0.592 -0.724 -14.683 1.00 0.21 H new ATOM 0 HB VAL A 36 -2.299 0.788 -13.753 1.00 63.22 H new ATOM 0 HG11 VAL A 36 -4.234 -0.689 -14.331 1.00 11.41 H new ATOM 0 HG12 VAL A 36 -2.889 -0.833 -15.488 1.00 11.41 H new ATOM 0 HG13 VAL A 36 -3.147 -2.096 -14.261 1.00 11.41 H new ATOM 0 HG21 VAL A 36 -3.875 -0.122 -12.032 1.00 12.33 H new ATOM 0 HG22 VAL A 36 -2.754 -1.478 -11.762 1.00 12.33 H new ATOM 0 HG23 VAL A 36 -2.248 0.185 -11.380 1.00 12.33 H new ATOM 536 N GLY A 37 1.444 0.170 -13.230 1.00 61.24 N ATOM 537 CA GLY A 37 2.345 1.312 -13.284 1.00 72.12 C ATOM 538 C GLY A 37 3.491 1.274 -12.286 1.00 75.31 C ATOM 539 O GLY A 37 3.642 0.358 -11.476 1.00 72.34 O ATOM 0 H GLY A 37 1.890 -0.732 -13.399 1.00 61.24 H new ATOM 0 HA2 GLY A 37 2.761 1.380 -14.289 1.00 72.12 H new ATOM 0 HA3 GLY A 37 1.767 2.220 -13.116 1.00 72.12 H new ATOM 543 N LYS A 38 4.346 2.291 -12.380 1.00 64.24 N ATOM 544 CA LYS A 38 5.751 2.176 -12.009 1.00 71.33 C ATOM 545 C LYS A 38 6.065 2.548 -10.556 1.00 42.01 C ATOM 546 O LYS A 38 6.917 3.391 -10.301 1.00 35.11 O ATOM 547 CB LYS A 38 6.599 2.921 -13.049 1.00 52.05 C ATOM 548 CG LYS A 38 6.455 4.462 -13.029 1.00 3.02 C ATOM 549 CD LYS A 38 7.827 5.096 -12.876 1.00 51.01 C ATOM 550 CE LYS A 38 8.720 4.908 -14.105 1.00 74.42 C ATOM 551 NZ LYS A 38 10.029 5.556 -13.891 1.00 20.21 N ATOM 0 H LYS A 38 4.082 3.217 -12.716 1.00 64.24 H new ATOM 0 HA LYS A 38 6.021 1.120 -12.030 1.00 71.33 H new ATOM 0 HB2 LYS A 38 7.647 2.667 -12.890 1.00 52.05 H new ATOM 0 HB3 LYS A 38 6.330 2.559 -14.041 1.00 52.05 H new ATOM 0 HG2 LYS A 38 5.984 4.806 -13.950 1.00 3.02 H new ATOM 0 HG3 LYS A 38 5.808 4.767 -12.207 1.00 3.02 H new ATOM 0 HD2 LYS A 38 7.708 6.162 -12.682 1.00 51.01 H new ATOM 0 HD3 LYS A 38 8.323 4.667 -12.006 1.00 51.01 H new ATOM 0 HE2 LYS A 38 8.861 3.845 -14.302 1.00 74.42 H new ATOM 0 HE3 LYS A 38 8.235 5.333 -14.984 1.00 74.42 H new ATOM 0 HZ1 LYS A 38 10.625 5.421 -14.732 1.00 20.21 H new ATOM 0 HZ2 LYS A 38 9.890 6.573 -13.725 1.00 20.21 H new ATOM 0 HZ3 LYS A 38 10.496 5.131 -13.064 1.00 20.21 H new ATOM 561 N VAL A 39 5.379 1.934 -9.599 1.00 32.32 N ATOM 562 CA VAL A 39 5.644 2.079 -8.158 1.00 73.42 C ATOM 563 C VAL A 39 7.141 1.999 -7.870 1.00 40.23 C ATOM 564 O VAL A 39 7.879 1.185 -8.435 1.00 53.45 O ATOM 565 CB VAL A 39 4.710 1.224 -7.269 1.00 60.22 C ATOM 566 CG1 VAL A 39 4.465 -0.195 -7.753 1.00 11.21 C ATOM 567 CG2 VAL A 39 5.245 1.061 -5.836 1.00 40.31 C ATOM 0 H VAL A 39 4.602 1.304 -9.800 1.00 32.32 H new ATOM 0 HA VAL A 39 5.362 3.086 -7.850 1.00 73.42 H new ATOM 0 HB VAL A 39 3.783 1.796 -7.314 1.00 60.22 H new ATOM 0 HG11 VAL A 39 3.798 -0.706 -7.059 1.00 11.21 H new ATOM 0 HG12 VAL A 39 4.008 -0.168 -8.742 1.00 11.21 H new ATOM 0 HG13 VAL A 39 5.413 -0.730 -7.806 1.00 11.21 H new ATOM 0 HG21 VAL A 39 4.551 0.453 -5.256 1.00 40.31 H new ATOM 0 HG22 VAL A 39 6.219 0.573 -5.865 1.00 40.31 H new ATOM 0 HG23 VAL A 39 5.344 2.042 -5.371 1.00 40.31 H new ATOM 577 N ARG A 40 7.571 2.997 -7.093 1.00 1.14 N ATOM 578 CA ARG A 40 8.929 3.484 -7.070 1.00 12.30 C ATOM 579 C ARG A 40 9.757 2.647 -6.128 1.00 64.54 C ATOM 580 O ARG A 40 10.871 2.260 -6.499 1.00 53.43 O ATOM 581 CB ARG A 40 8.917 4.958 -6.681 1.00 3.40 C ATOM 582 CG ARG A 40 10.349 5.501 -6.699 1.00 11.13 C ATOM 583 CD ARG A 40 10.274 7.010 -6.566 1.00 12.33 C ATOM 584 NE ARG A 40 11.493 7.652 -7.065 1.00 15.22 N ATOM 585 CZ ARG A 40 12.627 7.838 -6.383 1.00 52.25 C ATOM 586 NH1 ARG A 40 12.756 7.443 -5.121 1.00 14.33 N ATOM 587 NH2 ARG A 40 13.643 8.435 -6.989 1.00 52.44 N ATOM 0 H ARG A 40 6.956 3.494 -6.449 1.00 1.14 H new ATOM 0 HA ARG A 40 9.385 3.399 -8.056 1.00 12.30 H new ATOM 0 HB2 ARG A 40 8.293 5.523 -7.374 1.00 3.40 H new ATOM 0 HB3 ARG A 40 8.483 5.080 -5.689 1.00 3.40 H new ATOM 0 HG2 ARG A 40 10.930 5.074 -5.882 1.00 11.13 H new ATOM 0 HG3 ARG A 40 10.851 5.224 -7.626 1.00 11.13 H new ATOM 0 HD2 ARG A 40 9.412 7.383 -7.119 1.00 12.33 H new ATOM 0 HD3 ARG A 40 10.122 7.277 -5.520 1.00 12.33 H new ATOM 0 HE ARG A 40 11.474 7.990 -8.027 1.00 15.22 H new ATOM 0 HH11 ARG A 40 11.977 6.984 -4.648 1.00 14.33 H new ATOM 0 HH12 ARG A 40 13.634 7.598 -4.625 1.00 14.33 H new ATOM 0 HH21 ARG A 40 13.550 8.742 -7.957 1.00 52.44 H new ATOM 0 HH22 ARG A 40 14.518 8.587 -6.487 1.00 52.44 H new ATOM 598 N ASP A 41 9.235 2.425 -4.927 1.00 23.20 N ATOM 599 CA ASP A 41 9.832 1.490 -3.991 1.00 63.54 C ATOM 600 C ASP A 41 8.820 1.092 -2.923 1.00 20.22 C ATOM 601 O ASP A 41 7.901 1.850 -2.590 1.00 15.42 O ATOM 602 CB ASP A 41 11.066 2.103 -3.319 1.00 32.34 C ATOM 603 CG ASP A 41 11.944 1.054 -2.638 1.00 75.45 C ATOM 604 OD1 ASP A 41 11.812 -0.164 -2.900 1.00 21.33 O ATOM 605 OD2 ASP A 41 12.800 1.472 -1.822 1.00 61.44 O ATOM 0 H ASP A 41 8.393 2.885 -4.580 1.00 23.20 H new ATOM 0 HA ASP A 41 10.137 0.605 -4.549 1.00 63.54 H new ATOM 0 HB2 ASP A 41 11.655 2.636 -4.065 1.00 32.34 H new ATOM 0 HB3 ASP A 41 10.746 2.839 -2.581 1.00 32.34 H new ATOM 609 N VAL A 42 9.035 -0.079 -2.333 1.00 42.24 N ATOM 610 CA VAL A 42 8.308 -0.596 -1.188 1.00 52.02 C ATOM 611 C VAL A 42 8.993 -0.073 0.072 1.00 3.21 C ATOM 612 O VAL A 42 10.213 0.096 0.104 1.00 52.42 O ATOM 613 CB VAL A 42 8.288 -2.137 -1.261 1.00 52.33 C ATOM 614 CG1 VAL A 42 7.393 -2.765 -0.182 1.00 21.51 C ATOM 615 CG2 VAL A 42 7.795 -2.624 -2.634 1.00 52.12 C ATOM 0 H VAL A 42 9.757 -0.722 -2.659 1.00 42.24 H new ATOM 0 HA VAL A 42 7.270 -0.264 -1.176 1.00 52.02 H new ATOM 0 HB VAL A 42 9.318 -2.453 -1.096 1.00 52.33 H new ATOM 0 HG11 VAL A 42 7.415 -3.851 -0.278 1.00 21.51 H new ATOM 0 HG12 VAL A 42 7.759 -2.481 0.805 1.00 21.51 H new ATOM 0 HG13 VAL A 42 6.370 -2.410 -0.306 1.00 21.51 H new ATOM 0 HG21 VAL A 42 7.792 -3.714 -2.654 1.00 52.12 H new ATOM 0 HG22 VAL A 42 6.784 -2.255 -2.809 1.00 52.12 H new ATOM 0 HG23 VAL A 42 8.459 -2.248 -3.413 1.00 52.12 H new ATOM 625 N ARG A 43 8.229 0.146 1.141 1.00 51.43 N ATOM 626 CA ARG A 43 8.753 0.448 2.464 1.00 54.43 C ATOM 627 C ARG A 43 7.900 -0.338 3.446 1.00 21.34 C ATOM 628 O ARG A 43 6.673 -0.241 3.396 1.00 0.11 O ATOM 629 CB ARG A 43 8.750 1.970 2.667 1.00 31.22 C ATOM 630 CG ARG A 43 9.132 2.378 4.091 1.00 53.14 C ATOM 631 CD ARG A 43 9.819 3.751 4.097 1.00 75.32 C ATOM 632 NE ARG A 43 10.145 4.186 5.463 1.00 63.54 N ATOM 633 CZ ARG A 43 11.042 3.600 6.267 1.00 44.05 C ATOM 634 NH1 ARG A 43 11.874 2.693 5.767 1.00 52.05 N ATOM 635 NH2 ARG A 43 11.095 3.923 7.556 1.00 14.24 N ATOM 0 H ARG A 43 7.210 0.117 1.107 1.00 51.43 H new ATOM 0 HA ARG A 43 9.791 0.149 2.611 1.00 54.43 H new ATOM 0 HB2 ARG A 43 9.446 2.427 1.964 1.00 31.22 H new ATOM 0 HB3 ARG A 43 7.759 2.361 2.435 1.00 31.22 H new ATOM 0 HG2 ARG A 43 8.240 2.409 4.717 1.00 53.14 H new ATOM 0 HG3 ARG A 43 9.798 1.631 4.522 1.00 53.14 H new ATOM 0 HD2 ARG A 43 10.731 3.705 3.502 1.00 75.32 H new ATOM 0 HD3 ARG A 43 9.167 4.487 3.626 1.00 75.32 H new ATOM 0 HE ARG A 43 9.648 4.999 5.828 1.00 63.54 H new ATOM 0 HH11 ARG A 43 11.827 2.448 4.778 1.00 52.05 H new ATOM 0 HH12 ARG A 43 12.560 2.242 6.372 1.00 52.05 H new ATOM 0 HH21 ARG A 43 10.452 4.618 7.934 1.00 14.24 H new ATOM 0 HH22 ARG A 43 11.779 3.475 8.166 1.00 14.24 H new ATOM 646 N MET A 44 8.517 -1.206 4.245 1.00 60.33 N ATOM 647 CA MET A 44 7.817 -2.175 5.079 1.00 24.51 C ATOM 648 C MET A 44 8.522 -2.367 6.412 1.00 53.01 C ATOM 649 O MET A 44 9.685 -1.994 6.568 1.00 3.04 O ATOM 650 CB MET A 44 7.665 -3.507 4.329 1.00 12.43 C ATOM 651 CG MET A 44 8.964 -4.329 4.288 1.00 4.14 C ATOM 652 SD MET A 44 9.327 -5.032 2.671 1.00 74.13 S ATOM 653 CE MET A 44 10.104 -3.564 1.932 1.00 74.24 C ATOM 0 H MET A 44 9.532 -1.255 4.331 1.00 60.33 H new ATOM 0 HA MET A 44 6.821 -1.788 5.295 1.00 24.51 H new ATOM 0 HB2 MET A 44 6.883 -4.098 4.806 1.00 12.43 H new ATOM 0 HB3 MET A 44 7.336 -3.307 3.309 1.00 12.43 H new ATOM 0 HG2 MET A 44 9.795 -3.693 4.592 1.00 4.14 H new ATOM 0 HG3 MET A 44 8.896 -5.136 5.018 1.00 4.14 H new ATOM 0 HE1 MET A 44 10.070 -3.642 0.845 1.00 74.24 H new ATOM 0 HE2 MET A 44 9.567 -2.670 2.248 1.00 74.24 H new ATOM 0 HE3 MET A 44 11.142 -3.498 2.259 1.00 74.24 H new ATOM 661 N ILE A 45 7.835 -3.012 7.354 1.00 1.21 N ATOM 662 CA ILE A 45 8.280 -3.057 8.737 1.00 54.13 C ATOM 663 C ILE A 45 8.371 -4.506 9.206 1.00 74.31 C ATOM 664 O ILE A 45 7.351 -5.179 9.384 1.00 0.41 O ATOM 665 CB ILE A 45 7.371 -2.196 9.647 1.00 12.32 C ATOM 666 CG1 ILE A 45 7.052 -0.791 9.087 1.00 61.22 C ATOM 667 CG2 ILE A 45 8.064 -2.034 11.009 1.00 72.43 C ATOM 668 CD1 ILE A 45 5.781 -0.710 8.242 1.00 14.33 C ATOM 0 H ILE A 45 6.963 -3.512 7.178 1.00 1.21 H new ATOM 0 HA ILE A 45 9.278 -2.623 8.804 1.00 54.13 H new ATOM 0 HB ILE A 45 6.418 -2.721 9.720 1.00 12.32 H new ATOM 0 HG12 ILE A 45 6.962 -0.095 9.921 1.00 61.22 H new ATOM 0 HG13 ILE A 45 7.895 -0.456 8.482 1.00 61.22 H new ATOM 0 HG21 ILE A 45 7.439 -1.429 11.666 1.00 72.43 H new ATOM 0 HG22 ILE A 45 8.219 -3.015 11.458 1.00 72.43 H new ATOM 0 HG23 ILE A 45 9.027 -1.542 10.871 1.00 72.43 H new ATOM 0 HD11 ILE A 45 5.640 0.313 7.894 1.00 14.33 H new ATOM 0 HD12 ILE A 45 5.871 -1.376 7.384 1.00 14.33 H new ATOM 0 HD13 ILE A 45 4.924 -1.009 8.845 1.00 14.33 H new ATOM 814 N GLY A 55 2.142 -7.675 8.814 1.00 40.12 N ATOM 815 CA GLY A 55 1.067 -7.267 7.934 1.00 51.25 C ATOM 816 C GLY A 55 1.061 -5.774 7.747 1.00 21.53 C ATOM 817 O GLY A 55 0.008 -5.182 7.922 1.00 75.54 O ATOM 0 HA2 GLY A 55 1.178 -7.758 6.967 1.00 51.25 H new ATOM 0 HA3 GLY A 55 0.111 -7.589 8.348 1.00 51.25 H new ATOM 821 N ILE A 56 2.218 -5.164 7.473 1.00 15.34 N ATOM 822 CA ILE A 56 2.364 -3.718 7.422 1.00 60.12 C ATOM 823 C ILE A 56 3.451 -3.332 6.413 1.00 15.24 C ATOM 824 O ILE A 56 4.622 -3.692 6.570 1.00 62.43 O ATOM 825 CB ILE A 56 2.639 -3.144 8.838 1.00 20.12 C ATOM 826 CG1 ILE A 56 3.705 -3.941 9.633 1.00 34.35 C ATOM 827 CG2 ILE A 56 1.328 -3.053 9.635 1.00 63.23 C ATOM 828 CD1 ILE A 56 4.045 -3.365 11.010 1.00 71.23 C ATOM 0 H ILE A 56 3.083 -5.670 7.280 1.00 15.34 H new ATOM 0 HA ILE A 56 1.429 -3.275 7.079 1.00 60.12 H new ATOM 0 HB ILE A 56 3.053 -2.146 8.694 1.00 20.12 H new ATOM 0 HG12 ILE A 56 3.352 -4.965 9.760 1.00 34.35 H new ATOM 0 HG13 ILE A 56 4.618 -3.990 9.040 1.00 34.35 H new ATOM 0 HG21 ILE A 56 1.532 -2.649 10.627 1.00 63.23 H new ATOM 0 HG22 ILE A 56 0.630 -2.398 9.113 1.00 63.23 H new ATOM 0 HG23 ILE A 56 0.891 -4.047 9.731 1.00 63.23 H new ATOM 0 HD11 ILE A 56 4.799 -3.989 11.490 1.00 71.23 H new ATOM 0 HD12 ILE A 56 4.432 -2.353 10.895 1.00 71.23 H new ATOM 0 HD13 ILE A 56 3.147 -3.342 11.627 1.00 71.23 H new ATOM 839 N ALA A 57 3.061 -2.579 5.385 1.00 35.14 N ATOM 840 CA ALA A 57 3.951 -1.823 4.515 1.00 75.55 C ATOM 841 C ALA A 57 3.238 -0.535 4.105 1.00 51.15 C ATOM 842 O ALA A 57 2.015 -0.547 3.987 1.00 0.04 O ATOM 843 CB ALA A 57 4.304 -2.651 3.272 1.00 12.32 C ATOM 0 H ALA A 57 2.079 -2.477 5.129 1.00 35.14 H new ATOM 0 HA ALA A 57 4.877 -1.587 5.040 1.00 75.55 H new ATOM 0 HB1 ALA A 57 4.970 -2.076 2.629 1.00 12.32 H new ATOM 0 HB2 ALA A 57 4.801 -3.572 3.577 1.00 12.32 H new ATOM 0 HB3 ALA A 57 3.393 -2.894 2.726 1.00 12.32 H new ATOM 849 N TYR A 58 3.993 0.535 3.873 1.00 73.54 N ATOM 850 CA TYR A 58 3.555 1.821 3.341 1.00 11.21 C ATOM 851 C TYR A 58 4.339 2.065 2.048 1.00 15.44 C ATOM 852 O TYR A 58 5.395 2.690 2.073 1.00 35.33 O ATOM 853 CB TYR A 58 3.796 2.949 4.353 1.00 71.13 C ATOM 854 CG TYR A 58 3.060 2.836 5.669 1.00 20.44 C ATOM 855 CD1 TYR A 58 3.510 1.915 6.627 1.00 54.23 C ATOM 856 CD2 TYR A 58 1.988 3.697 5.974 1.00 52.24 C ATOM 857 CE1 TYR A 58 2.896 1.827 7.882 1.00 35.53 C ATOM 858 CE2 TYR A 58 1.386 3.640 7.244 1.00 53.11 C ATOM 859 CZ TYR A 58 1.831 2.702 8.205 1.00 4.14 C ATOM 860 OH TYR A 58 1.266 2.700 9.443 1.00 52.22 O ATOM 0 H TYR A 58 4.995 0.525 4.065 1.00 73.54 H new ATOM 0 HA TYR A 58 2.483 1.807 3.142 1.00 11.21 H new ATOM 0 HB2 TYR A 58 4.865 2.999 4.562 1.00 71.13 H new ATOM 0 HB3 TYR A 58 3.518 3.894 3.885 1.00 71.13 H new ATOM 0 HD1 TYR A 58 4.341 1.266 6.393 1.00 54.23 H new ATOM 0 HD2 TYR A 58 1.629 4.399 5.235 1.00 52.24 H new ATOM 0 HE1 TYR A 58 3.233 1.095 8.601 1.00 35.53 H new ATOM 0 HE2 TYR A 58 0.580 4.316 7.487 1.00 53.11 H new ATOM 0 HH TYR A 58 0.551 3.369 9.477 1.00 52.22 H new ATOM 869 N VAL A 59 3.871 1.505 0.937 1.00 22.54 N ATOM 870 CA VAL A 59 4.577 1.463 -0.346 1.00 21.20 C ATOM 871 C VAL A 59 4.235 2.685 -1.204 1.00 64.24 C ATOM 872 O VAL A 59 3.126 3.216 -1.112 1.00 2.33 O ATOM 873 CB VAL A 59 4.446 0.052 -0.972 1.00 64.15 C ATOM 874 CG1 VAL A 59 3.040 -0.540 -0.890 1.00 21.34 C ATOM 875 CG2 VAL A 59 4.853 -0.019 -2.451 1.00 44.24 C ATOM 0 H VAL A 59 2.958 1.051 0.900 1.00 22.54 H new ATOM 0 HA VAL A 59 5.654 1.578 -0.225 1.00 21.20 H new ATOM 0 HB VAL A 59 5.138 -0.526 -0.359 1.00 64.15 H new ATOM 0 HG11 VAL A 59 3.034 -1.528 -1.350 1.00 21.34 H new ATOM 0 HG12 VAL A 59 2.741 -0.624 0.155 1.00 21.34 H new ATOM 0 HG13 VAL A 59 2.340 0.110 -1.416 1.00 21.34 H new ATOM 0 HG21 VAL A 59 4.732 -1.040 -2.813 1.00 44.24 H new ATOM 0 HG22 VAL A 59 4.221 0.650 -3.035 1.00 44.24 H new ATOM 0 HG23 VAL A 59 5.895 0.282 -2.556 1.00 44.24 H new ATOM 885 N GLU A 60 5.223 3.180 -1.963 1.00 60.33 N ATOM 886 CA GLU A 60 5.278 4.563 -2.419 1.00 55.15 C ATOM 887 C GLU A 60 5.255 4.588 -3.954 1.00 12.20 C ATOM 888 O GLU A 60 6.265 4.356 -4.628 1.00 31.12 O ATOM 889 CB GLU A 60 6.500 5.294 -1.807 1.00 4.34 C ATOM 890 CG GLU A 60 6.616 5.114 -0.276 1.00 33.22 C ATOM 891 CD GLU A 60 7.473 6.159 0.460 1.00 51.11 C ATOM 892 OE1 GLU A 60 7.751 7.260 -0.068 1.00 0.24 O ATOM 893 OE2 GLU A 60 7.814 5.944 1.648 1.00 1.24 O ATOM 0 H GLU A 60 6.014 2.618 -2.278 1.00 60.33 H new ATOM 0 HA GLU A 60 4.403 5.112 -2.072 1.00 55.15 H new ATOM 0 HB2 GLU A 60 7.410 4.924 -2.279 1.00 4.34 H new ATOM 0 HB3 GLU A 60 6.431 6.357 -2.037 1.00 4.34 H new ATOM 0 HG2 GLU A 60 5.613 5.130 0.149 1.00 33.22 H new ATOM 0 HG3 GLU A 60 7.031 4.126 -0.076 1.00 33.22 H new ATOM 898 N PHE A 61 4.071 4.811 -4.533 1.00 41.03 N ATOM 899 CA PHE A 61 3.893 5.050 -5.947 1.00 53.03 C ATOM 900 C PHE A 61 4.574 6.337 -6.399 1.00 24.21 C ATOM 901 O PHE A 61 5.054 7.167 -5.628 1.00 1.23 O ATOM 902 CB PHE A 61 2.396 5.071 -6.298 1.00 2.04 C ATOM 903 CG PHE A 61 1.948 3.896 -7.142 1.00 22.21 C ATOM 904 CD1 PHE A 61 2.245 3.814 -8.514 1.00 24.24 C ATOM 905 CD2 PHE A 61 1.188 2.883 -6.549 1.00 35.33 C ATOM 906 CE1 PHE A 61 1.813 2.711 -9.272 1.00 61.23 C ATOM 907 CE2 PHE A 61 0.726 1.801 -7.307 1.00 20.51 C ATOM 908 CZ PHE A 61 1.048 1.700 -8.670 1.00 51.31 C ATOM 0 H PHE A 61 3.196 4.828 -4.009 1.00 41.03 H new ATOM 0 HA PHE A 61 4.371 4.231 -6.484 1.00 53.03 H new ATOM 0 HB2 PHE A 61 1.816 5.085 -5.375 1.00 2.04 H new ATOM 0 HB3 PHE A 61 2.170 5.995 -6.830 1.00 2.04 H new ATOM 0 HD1 PHE A 61 2.809 4.603 -8.989 1.00 24.24 H new ATOM 0 HD2 PHE A 61 0.955 2.936 -5.496 1.00 35.33 H new ATOM 0 HE1 PHE A 61 2.070 2.642 -10.319 1.00 61.23 H new ATOM 0 HE2 PHE A 61 0.118 1.039 -6.841 1.00 20.51 H new ATOM 0 HZ PHE A 61 0.710 0.853 -9.249 1.00 51.31 H new ATOM 917 N VAL A 62 4.551 6.498 -7.711 1.00 13.40 N ATOM 918 CA VAL A 62 5.120 7.589 -8.473 1.00 33.53 C ATOM 919 C VAL A 62 4.132 8.730 -8.663 1.00 52.43 C ATOM 920 O VAL A 62 4.520 9.879 -8.862 1.00 61.52 O ATOM 921 CB VAL A 62 5.535 6.997 -9.828 1.00 11.02 C ATOM 922 CG1 VAL A 62 6.821 6.222 -9.551 1.00 41.01 C ATOM 923 CG2 VAL A 62 4.461 6.077 -10.429 1.00 21.12 C ATOM 0 H VAL A 62 4.097 5.813 -8.316 1.00 13.40 H new ATOM 0 HA VAL A 62 5.971 8.018 -7.944 1.00 33.53 H new ATOM 0 HB VAL A 62 5.674 7.787 -10.566 1.00 11.02 H new ATOM 0 HG11 VAL A 62 7.179 5.769 -10.475 1.00 41.01 H new ATOM 0 HG12 VAL A 62 7.579 6.902 -9.163 1.00 41.01 H new ATOM 0 HG13 VAL A 62 6.624 5.441 -8.817 1.00 41.01 H new ATOM 0 HG21 VAL A 62 4.809 5.688 -11.386 1.00 21.12 H new ATOM 0 HG22 VAL A 62 4.270 5.248 -9.748 1.00 21.12 H new ATOM 0 HG23 VAL A 62 3.541 6.642 -10.580 1.00 21.12 H new ATOM 933 N ASP A 63 2.843 8.423 -8.612 1.00 12.03 N ATOM 934 CA ASP A 63 1.748 9.279 -9.000 1.00 73.21 C ATOM 935 C ASP A 63 0.630 9.131 -7.969 1.00 75.42 C ATOM 936 O ASP A 63 0.372 8.049 -7.442 1.00 74.55 O ATOM 937 CB ASP A 63 1.274 8.835 -10.385 1.00 62.44 C ATOM 938 CG ASP A 63 2.228 9.285 -11.497 1.00 11.00 C ATOM 939 OD1 ASP A 63 2.493 10.504 -11.577 1.00 11.03 O ATOM 940 OD2 ASP A 63 2.734 8.423 -12.255 1.00 21.54 O ATOM 0 H ASP A 63 2.523 7.514 -8.278 1.00 12.03 H new ATOM 0 HA ASP A 63 2.050 10.326 -9.041 1.00 73.21 H new ATOM 0 HB2 ASP A 63 1.183 7.749 -10.405 1.00 62.44 H new ATOM 0 HB3 ASP A 63 0.281 9.242 -10.575 1.00 62.44 H new ATOM 944 N VAL A 64 -0.041 10.240 -7.673 1.00 54.11 N ATOM 945 CA VAL A 64 -1.058 10.321 -6.629 1.00 34.51 C ATOM 946 C VAL A 64 -2.341 9.578 -7.031 1.00 41.32 C ATOM 947 O VAL A 64 -3.112 9.166 -6.164 1.00 34.32 O ATOM 948 CB VAL A 64 -1.271 11.809 -6.255 1.00 63.51 C ATOM 949 CG1 VAL A 64 -1.554 12.719 -7.464 1.00 24.20 C ATOM 950 CG2 VAL A 64 -2.365 12.032 -5.205 1.00 13.42 C ATOM 0 H VAL A 64 0.109 11.123 -8.160 1.00 54.11 H new ATOM 0 HA VAL A 64 -0.721 9.806 -5.730 1.00 34.51 H new ATOM 0 HB VAL A 64 -0.311 12.092 -5.823 1.00 63.51 H new ATOM 0 HG11 VAL A 64 -1.692 13.745 -7.123 1.00 24.20 H new ATOM 0 HG12 VAL A 64 -0.713 12.677 -8.156 1.00 24.20 H new ATOM 0 HG13 VAL A 64 -2.458 12.380 -7.971 1.00 24.20 H new ATOM 0 HG21 VAL A 64 -2.456 13.098 -4.995 1.00 13.42 H new ATOM 0 HG22 VAL A 64 -3.315 11.655 -5.583 1.00 13.42 H new ATOM 0 HG23 VAL A 64 -2.103 11.503 -4.289 1.00 13.42 H new ATOM 960 N SER A 65 -2.594 9.363 -8.328 1.00 21.10 N ATOM 961 CA SER A 65 -3.819 8.702 -8.772 1.00 0.24 C ATOM 962 C SER A 65 -3.847 7.226 -8.372 1.00 15.03 C ATOM 963 O SER A 65 -4.921 6.625 -8.298 1.00 52.25 O ATOM 964 CB SER A 65 -3.979 8.900 -10.281 1.00 33.31 C ATOM 965 OG SER A 65 -2.858 8.399 -10.984 1.00 33.41 O ATOM 0 H SER A 65 -1.966 9.638 -9.084 1.00 21.10 H new ATOM 0 HA SER A 65 -4.672 9.159 -8.270 1.00 0.24 H new ATOM 0 HB2 SER A 65 -4.882 8.394 -10.623 1.00 33.31 H new ATOM 0 HB3 SER A 65 -4.105 9.960 -10.500 1.00 33.31 H new ATOM 0 HG SER A 65 -2.987 8.537 -11.946 1.00 33.41 H new ATOM 970 N SER A 66 -2.694 6.624 -8.082 1.00 24.42 N ATOM 971 CA SER A 66 -2.638 5.222 -7.728 1.00 15.12 C ATOM 972 C SER A 66 -3.148 4.955 -6.308 1.00 34.11 C ATOM 973 O SER A 66 -3.529 3.830 -5.993 1.00 31.50 O ATOM 974 CB SER A 66 -1.224 4.696 -7.905 1.00 42.25 C ATOM 975 OG SER A 66 -0.600 5.296 -9.027 1.00 43.34 O ATOM 0 H SER A 66 -1.789 7.094 -8.088 1.00 24.42 H new ATOM 0 HA SER A 66 -3.306 4.687 -8.403 1.00 15.12 H new ATOM 0 HB2 SER A 66 -0.641 4.899 -7.007 1.00 42.25 H new ATOM 0 HB3 SER A 66 -1.247 3.614 -8.032 1.00 42.25 H new ATOM 0 HG SER A 66 0.333 4.999 -9.080 1.00 43.34 H new ATOM 980 N VAL A 67 -3.195 5.967 -5.439 1.00 21.20 N ATOM 981 CA VAL A 67 -3.631 5.816 -4.055 1.00 55.05 C ATOM 982 C VAL A 67 -5.082 5.285 -3.996 1.00 75.53 C ATOM 983 O VAL A 67 -5.282 4.182 -3.476 1.00 24.21 O ATOM 984 CB VAL A 67 -3.343 7.116 -3.273 1.00 32.34 C ATOM 985 CG1 VAL A 67 -3.838 6.995 -1.834 1.00 13.23 C ATOM 986 CG2 VAL A 67 -1.838 7.416 -3.236 1.00 42.32 C ATOM 0 H VAL A 67 -2.929 6.921 -5.681 1.00 21.20 H new ATOM 0 HA VAL A 67 -3.053 5.049 -3.540 1.00 55.05 H new ATOM 0 HB VAL A 67 -3.866 7.924 -3.785 1.00 32.34 H new ATOM 0 HG11 VAL A 67 -3.627 7.920 -1.298 1.00 13.23 H new ATOM 0 HG12 VAL A 67 -4.913 6.812 -1.833 1.00 13.23 H new ATOM 0 HG13 VAL A 67 -3.329 6.166 -1.342 1.00 13.23 H new ATOM 0 HG21 VAL A 67 -1.664 8.337 -2.679 1.00 42.32 H new ATOM 0 HG22 VAL A 67 -1.315 6.593 -2.749 1.00 42.32 H new ATOM 0 HG23 VAL A 67 -1.465 7.531 -4.254 1.00 42.32 H new ATOM 996 N PRO A 68 -6.087 5.949 -4.600 1.00 43.44 N ATOM 997 CA PRO A 68 -7.452 5.427 -4.663 1.00 72.24 C ATOM 998 C PRO A 68 -7.581 4.190 -5.557 1.00 20.50 C ATOM 999 O PRO A 68 -8.617 3.519 -5.504 1.00 72.33 O ATOM 1000 CB PRO A 68 -8.306 6.562 -5.232 1.00 3.30 C ATOM 1001 CG PRO A 68 -7.313 7.353 -6.073 1.00 62.32 C ATOM 1002 CD PRO A 68 -6.040 7.256 -5.232 1.00 61.41 C ATOM 0 HA PRO A 68 -7.769 5.110 -3.669 1.00 72.24 H new ATOM 0 HB2 PRO A 68 -9.132 6.182 -5.834 1.00 3.30 H new ATOM 0 HB3 PRO A 68 -8.742 7.173 -4.442 1.00 3.30 H new ATOM 0 HG2 PRO A 68 -7.181 6.920 -7.065 1.00 62.32 H new ATOM 0 HG3 PRO A 68 -7.630 8.386 -6.216 1.00 62.32 H new ATOM 0 HD2 PRO A 68 -5.151 7.359 -5.854 1.00 61.41 H new ATOM 0 HD3 PRO A 68 -6.001 8.050 -4.487 1.00 61.41 H new ATOM 1007 N LEU A 69 -6.571 3.895 -6.383 1.00 1.42 N ATOM 1008 CA LEU A 69 -6.555 2.727 -7.249 1.00 21.44 C ATOM 1009 C LEU A 69 -6.583 1.479 -6.378 1.00 54.14 C ATOM 1010 O LEU A 69 -7.429 0.604 -6.584 1.00 23.22 O ATOM 1011 CB LEU A 69 -5.322 2.746 -8.171 1.00 3.04 C ATOM 1012 CG LEU A 69 -5.529 2.045 -9.520 1.00 2.34 C ATOM 1013 CD1 LEU A 69 -4.338 2.377 -10.424 1.00 63.34 C ATOM 1014 CD2 LEU A 69 -5.659 0.524 -9.368 1.00 22.22 C ATOM 0 H LEU A 69 -5.734 4.473 -6.464 1.00 1.42 H new ATOM 0 HA LEU A 69 -7.432 2.732 -7.896 1.00 21.44 H new ATOM 0 HB2 LEU A 69 -5.036 3.782 -8.354 1.00 3.04 H new ATOM 0 HB3 LEU A 69 -4.489 2.272 -7.653 1.00 3.04 H new ATOM 0 HG LEU A 69 -6.461 2.403 -9.957 1.00 2.34 H new ATOM 0 HD11 LEU A 69 -4.466 1.887 -11.389 1.00 63.34 H new ATOM 0 HD12 LEU A 69 -4.281 3.456 -10.569 1.00 63.34 H new ATOM 0 HD13 LEU A 69 -3.418 2.024 -9.958 1.00 63.34 H new ATOM 0 HD21 LEU A 69 -5.804 0.071 -10.349 1.00 22.22 H new ATOM 0 HD22 LEU A 69 -4.752 0.125 -8.915 1.00 22.22 H new ATOM 0 HD23 LEU A 69 -6.514 0.294 -8.732 1.00 22.22 H new ATOM 1025 N ALA A 70 -5.691 1.427 -5.381 1.00 2.42 N ATOM 1026 CA ALA A 70 -5.511 0.270 -4.523 1.00 15.22 C ATOM 1027 C ALA A 70 -6.798 -0.094 -3.778 1.00 21.44 C ATOM 1028 O ALA A 70 -7.092 -1.282 -3.608 1.00 3.31 O ATOM 1029 CB ALA A 70 -4.363 0.512 -3.539 1.00 42.03 C ATOM 0 H ALA A 70 -5.070 2.203 -5.152 1.00 2.42 H new ATOM 0 HA ALA A 70 -5.257 -0.578 -5.159 1.00 15.22 H new ATOM 0 HB1 ALA A 70 -4.239 -0.364 -2.902 1.00 42.03 H new ATOM 0 HB2 ALA A 70 -3.441 0.691 -4.092 1.00 42.03 H new ATOM 0 HB3 ALA A 70 -4.590 1.381 -2.921 1.00 42.03 H new ATOM 1035 N ILE A 71 -7.601 0.901 -3.393 1.00 64.13 N ATOM 1036 CA ILE A 71 -8.890 0.714 -2.728 1.00 0.43 C ATOM 1037 C ILE A 71 -9.797 -0.181 -3.575 1.00 72.23 C ATOM 1038 O ILE A 71 -10.538 -1.009 -3.033 1.00 54.42 O ATOM 1039 CB ILE A 71 -9.508 2.103 -2.434 1.00 0.41 C ATOM 1040 CG1 ILE A 71 -8.613 2.799 -1.386 1.00 4.23 C ATOM 1041 CG2 ILE A 71 -10.991 2.022 -2.023 1.00 71.24 C ATOM 1042 CD1 ILE A 71 -9.153 4.114 -0.825 1.00 24.44 C ATOM 0 H ILE A 71 -7.366 1.883 -3.539 1.00 64.13 H new ATOM 0 HA ILE A 71 -8.761 0.202 -1.775 1.00 0.43 H new ATOM 0 HB ILE A 71 -9.528 2.703 -3.344 1.00 0.41 H new ATOM 0 HG12 ILE A 71 -8.452 2.110 -0.557 1.00 4.23 H new ATOM 0 HG13 ILE A 71 -7.639 2.990 -1.836 1.00 4.23 H new ATOM 0 HG21 ILE A 71 -11.370 3.025 -1.830 1.00 71.24 H new ATOM 0 HG22 ILE A 71 -11.567 1.565 -2.828 1.00 71.24 H new ATOM 0 HG23 ILE A 71 -11.086 1.418 -1.121 1.00 71.24 H new ATOM 0 HD11 ILE A 71 -8.447 4.517 -0.099 1.00 24.44 H new ATOM 0 HD12 ILE A 71 -9.286 4.829 -1.637 1.00 24.44 H new ATOM 0 HD13 ILE A 71 -10.112 3.935 -0.338 1.00 24.44 H new ATOM 1053 N GLY A 72 -9.710 -0.058 -4.901 1.00 12.11 N ATOM 1054 CA GLY A 72 -10.459 -0.889 -5.822 1.00 1.41 C ATOM 1055 C GLY A 72 -10.245 -2.394 -5.628 1.00 23.34 C ATOM 1056 O GLY A 72 -11.147 -3.171 -5.947 1.00 1.51 O ATOM 0 H GLY A 72 -9.111 0.628 -5.361 1.00 12.11 H new ATOM 0 HA2 GLY A 72 -11.521 -0.667 -5.712 1.00 1.41 H new ATOM 0 HA3 GLY A 72 -10.181 -0.623 -6.842 1.00 1.41 H new ATOM 1060 N LEU A 73 -9.091 -2.830 -5.112 1.00 12.23 N ATOM 1061 CA LEU A 73 -8.668 -4.233 -5.159 1.00 60.33 C ATOM 1062 C LEU A 73 -8.676 -4.893 -3.777 1.00 52.34 C ATOM 1063 O LEU A 73 -8.189 -6.012 -3.678 1.00 63.31 O ATOM 1064 CB LEU A 73 -7.293 -4.408 -5.826 1.00 3.33 C ATOM 1065 CG LEU A 73 -6.998 -3.540 -7.061 1.00 2.00 C ATOM 1066 CD1 LEU A 73 -5.590 -3.834 -7.571 1.00 44.32 C ATOM 1067 CD2 LEU A 73 -8.006 -3.800 -8.184 1.00 74.22 C ATOM 0 H LEU A 73 -8.421 -2.216 -4.648 1.00 12.23 H new ATOM 0 HA LEU A 73 -9.408 -4.741 -5.777 1.00 60.33 H new ATOM 0 HB2 LEU A 73 -6.526 -4.205 -5.079 1.00 3.33 H new ATOM 0 HB3 LEU A 73 -7.188 -5.454 -6.115 1.00 3.33 H new ATOM 0 HG LEU A 73 -7.080 -2.495 -6.763 1.00 2.00 H new ATOM 0 HD11 LEU A 73 -5.384 -3.218 -8.446 1.00 44.32 H new ATOM 0 HD12 LEU A 73 -4.865 -3.608 -6.789 1.00 44.32 H new ATOM 0 HD13 LEU A 73 -5.514 -4.887 -7.843 1.00 44.32 H new ATOM 0 HD21 LEU A 73 -7.767 -3.170 -9.041 1.00 74.22 H new ATOM 0 HD22 LEU A 73 -7.959 -4.848 -8.480 1.00 74.22 H new ATOM 0 HD23 LEU A 73 -9.011 -3.568 -7.832 1.00 74.22 H new ATOM 1078 N THR A 74 -9.233 -4.264 -2.731 1.00 11.42 N ATOM 1079 CA THR A 74 -9.306 -4.819 -1.363 1.00 53.21 C ATOM 1080 C THR A 74 -9.742 -6.299 -1.330 1.00 22.53 C ATOM 1081 O THR A 74 -9.223 -7.109 -0.557 1.00 32.42 O ATOM 1082 CB THR A 74 -10.120 -3.889 -0.450 1.00 63.32 C ATOM 1083 OG1 THR A 74 -10.180 -4.368 0.873 1.00 55.21 O ATOM 1084 CG2 THR A 74 -11.549 -3.692 -0.954 1.00 40.15 C ATOM 0 H THR A 74 -9.654 -3.338 -2.809 1.00 11.42 H new ATOM 0 HA THR A 74 -8.297 -4.848 -0.953 1.00 53.21 H new ATOM 0 HB THR A 74 -9.596 -2.934 -0.468 1.00 63.32 H new ATOM 0 HG1 THR A 74 -9.296 -4.692 1.144 1.00 55.21 H new ATOM 0 HG21 THR A 74 -12.085 -3.028 -0.277 1.00 40.15 H new ATOM 0 HG22 THR A 74 -11.526 -3.252 -1.951 1.00 40.15 H new ATOM 0 HG23 THR A 74 -12.057 -4.656 -0.994 1.00 40.15 H new ATOM 1092 N GLY A 75 -10.651 -6.668 -2.227 1.00 63.34 N ATOM 1093 CA GLY A 75 -11.231 -7.998 -2.323 1.00 4.03 C ATOM 1094 C GLY A 75 -10.314 -9.011 -3.017 1.00 15.00 C ATOM 1095 O GLY A 75 -10.387 -10.211 -2.737 1.00 0.32 O ATOM 0 H GLY A 75 -11.015 -6.025 -2.930 1.00 63.34 H new ATOM 0 HA2 GLY A 75 -11.466 -8.358 -1.321 1.00 4.03 H new ATOM 0 HA3 GLY A 75 -12.173 -7.938 -2.869 1.00 4.03 H new ATOM 1099 N GLN A 76 -9.424 -8.550 -3.893 1.00 53.03 N ATOM 1100 CA GLN A 76 -8.460 -9.395 -4.583 1.00 55.02 C ATOM 1101 C GLN A 76 -7.344 -9.759 -3.609 1.00 14.41 C ATOM 1102 O GLN A 76 -7.109 -9.064 -2.620 1.00 52.11 O ATOM 1103 CB GLN A 76 -7.880 -8.674 -5.808 1.00 12.43 C ATOM 1104 CG GLN A 76 -8.949 -8.019 -6.703 1.00 33.54 C ATOM 1105 CD GLN A 76 -8.487 -7.630 -8.107 1.00 23.34 C ATOM 1106 OE1 GLN A 76 -9.307 -7.498 -9.011 1.00 53.32 O ATOM 1107 NE2 GLN A 76 -7.205 -7.400 -8.331 1.00 12.33 N ATOM 0 H GLN A 76 -9.354 -7.564 -4.145 1.00 53.03 H new ATOM 0 HA GLN A 76 -8.958 -10.299 -4.933 1.00 55.02 H new ATOM 0 HB2 GLN A 76 -7.182 -7.908 -5.471 1.00 12.43 H new ATOM 0 HB3 GLN A 76 -7.309 -9.387 -6.402 1.00 12.43 H new ATOM 0 HG2 GLN A 76 -9.791 -8.705 -6.794 1.00 33.54 H new ATOM 0 HG3 GLN A 76 -9.319 -7.125 -6.201 1.00 33.54 H new ATOM 0 HE21 GLN A 76 -6.528 -7.511 -7.577 1.00 12.33 H new ATOM 0 HE22 GLN A 76 -6.893 -7.111 -9.258 1.00 12.33 H new ATOM 1114 N ARG A 77 -6.638 -10.847 -3.902 1.00 64.24 N ATOM 1115 CA ARG A 77 -5.523 -11.327 -3.103 1.00 74.51 C ATOM 1116 C ARG A 77 -4.639 -12.205 -3.952 1.00 55.43 C ATOM 1117 O ARG A 77 -5.079 -13.268 -4.396 1.00 43.11 O ATOM 1118 CB ARG A 77 -6.002 -12.082 -1.861 1.00 20.41 C ATOM 1119 CG ARG A 77 -7.203 -13.010 -2.041 1.00 23.32 C ATOM 1120 CD ARG A 77 -7.478 -13.628 -0.670 1.00 54.21 C ATOM 1121 NE ARG A 77 -8.524 -14.654 -0.713 1.00 55.32 N ATOM 1122 CZ ARG A 77 -8.502 -15.828 -0.074 1.00 21.50 C ATOM 1123 NH1 ARG A 77 -7.544 -16.142 0.789 1.00 3.43 N ATOM 1124 NH2 ARG A 77 -9.467 -16.710 -0.279 1.00 22.22 N ATOM 0 H ARG A 77 -6.831 -11.428 -4.718 1.00 64.24 H new ATOM 0 HA ARG A 77 -4.952 -10.466 -2.755 1.00 74.51 H new ATOM 0 HB2 ARG A 77 -5.169 -12.674 -1.480 1.00 20.41 H new ATOM 0 HB3 ARG A 77 -6.250 -11.350 -1.093 1.00 20.41 H new ATOM 0 HG2 ARG A 77 -8.071 -12.457 -2.399 1.00 23.32 H new ATOM 0 HG3 ARG A 77 -6.990 -13.782 -2.780 1.00 23.32 H new ATOM 0 HD2 ARG A 77 -6.559 -14.068 -0.283 1.00 54.21 H new ATOM 0 HD3 ARG A 77 -7.773 -12.843 0.026 1.00 54.21 H new ATOM 0 HE ARG A 77 -9.345 -14.453 -1.284 1.00 55.32 H new ATOM 0 HH11 ARG A 77 -6.794 -15.478 0.982 1.00 3.43 H new ATOM 0 HH12 ARG A 77 -7.558 -17.047 1.259 1.00 3.43 H new ATOM 0 HH21 ARG A 77 -10.227 -16.494 -0.924 1.00 22.22 H new ATOM 0 HH22 ARG A 77 -9.451 -17.606 0.208 1.00 22.22 H new ATOM 1135 N VAL A 78 -3.405 -11.778 -4.170 1.00 41.33 N ATOM 1136 CA VAL A 78 -2.435 -12.647 -4.830 1.00 0.12 C ATOM 1137 C VAL A 78 -1.959 -13.649 -3.792 1.00 60.55 C ATOM 1138 O VAL A 78 -1.537 -13.238 -2.718 1.00 61.53 O ATOM 1139 CB VAL A 78 -1.273 -11.882 -5.503 1.00 71.23 C ATOM 1140 CG1 VAL A 78 -1.825 -11.024 -6.647 1.00 71.23 C ATOM 1141 CG2 VAL A 78 -0.418 -11.008 -4.570 1.00 60.14 C ATOM 0 H VAL A 78 -3.054 -10.857 -3.908 1.00 41.33 H new ATOM 0 HA VAL A 78 -2.913 -13.160 -5.664 1.00 0.12 H new ATOM 0 HB VAL A 78 -0.594 -12.655 -5.864 1.00 71.23 H new ATOM 0 HG11 VAL A 78 -1.007 -10.483 -7.123 1.00 71.23 H new ATOM 0 HG12 VAL A 78 -2.312 -11.666 -7.381 1.00 71.23 H new ATOM 0 HG13 VAL A 78 -2.549 -10.312 -6.251 1.00 71.23 H new ATOM 0 HG21 VAL A 78 0.366 -10.519 -5.147 1.00 60.14 H new ATOM 0 HG22 VAL A 78 -1.048 -10.253 -4.100 1.00 60.14 H new ATOM 0 HG23 VAL A 78 0.035 -11.633 -3.800 1.00 60.14 H new ATOM 1151 N LEU A 79 -2.052 -14.949 -4.076 1.00 33.31 N ATOM 1152 CA LEU A 79 -1.527 -16.038 -3.240 1.00 52.43 C ATOM 1153 C LEU A 79 -1.918 -15.896 -1.763 1.00 21.51 C ATOM 1154 O LEU A 79 -1.124 -16.172 -0.855 1.00 62.31 O ATOM 1155 CB LEU A 79 -0.004 -16.136 -3.413 1.00 24.32 C ATOM 1156 CG LEU A 79 0.480 -16.181 -4.873 1.00 35.23 C ATOM 1157 CD1 LEU A 79 1.999 -16.283 -4.892 1.00 52.15 C ATOM 1158 CD2 LEU A 79 -0.117 -17.359 -5.646 1.00 41.23 C ATOM 0 H LEU A 79 -2.510 -15.288 -4.922 1.00 33.31 H new ATOM 0 HA LEU A 79 -1.985 -16.967 -3.579 1.00 52.43 H new ATOM 0 HB2 LEU A 79 0.459 -15.282 -2.918 1.00 24.32 H new ATOM 0 HB3 LEU A 79 0.349 -17.031 -2.901 1.00 24.32 H new ATOM 0 HG LEU A 79 0.148 -15.265 -5.362 1.00 35.23 H new ATOM 0 HD11 LEU A 79 2.349 -16.315 -5.924 1.00 52.15 H new ATOM 0 HD12 LEU A 79 2.428 -15.416 -4.390 1.00 52.15 H new ATOM 0 HD13 LEU A 79 2.309 -17.191 -4.375 1.00 52.15 H new ATOM 0 HD21 LEU A 79 0.254 -17.348 -6.671 1.00 41.23 H new ATOM 0 HD22 LEU A 79 0.172 -18.294 -5.166 1.00 41.23 H new ATOM 0 HD23 LEU A 79 -1.204 -17.276 -5.653 1.00 41.23 H new ATOM 1169 N GLY A 80 -3.144 -15.433 -1.520 1.00 53.14 N ATOM 1170 CA GLY A 80 -3.684 -15.234 -0.186 1.00 24.13 C ATOM 1171 C GLY A 80 -3.105 -14.017 0.542 1.00 13.23 C ATOM 1172 O GLY A 80 -3.069 -14.031 1.774 1.00 11.33 O ATOM 0 H GLY A 80 -3.797 -15.183 -2.262 1.00 53.14 H new ATOM 0 HA2 GLY A 80 -4.766 -15.123 -0.255 1.00 24.13 H new ATOM 0 HA3 GLY A 80 -3.493 -16.127 0.410 1.00 24.13 H new ATOM 1176 N VAL A 81 -2.681 -12.980 -0.186 1.00 52.31 N ATOM 1177 CA VAL A 81 -2.246 -11.684 0.326 1.00 52.22 C ATOM 1178 C VAL A 81 -3.261 -10.611 -0.108 1.00 71.32 C ATOM 1179 O VAL A 81 -3.091 -10.024 -1.180 1.00 24.31 O ATOM 1180 CB VAL A 81 -0.812 -11.338 -0.144 1.00 34.10 C ATOM 1181 CG1 VAL A 81 -0.292 -10.181 0.717 1.00 53.45 C ATOM 1182 CG2 VAL A 81 0.186 -12.495 -0.010 1.00 13.31 C ATOM 0 H VAL A 81 -2.631 -13.028 -1.204 1.00 52.31 H new ATOM 0 HA VAL A 81 -2.210 -11.722 1.415 1.00 52.22 H new ATOM 0 HB VAL A 81 -0.883 -11.090 -1.203 1.00 34.10 H new ATOM 0 HG11 VAL A 81 0.719 -9.920 0.403 1.00 53.45 H new ATOM 0 HG12 VAL A 81 -0.944 -9.316 0.597 1.00 53.45 H new ATOM 0 HG13 VAL A 81 -0.280 -10.483 1.764 1.00 53.45 H new ATOM 0 HG21 VAL A 81 1.167 -12.172 -0.360 1.00 13.31 H new ATOM 0 HG22 VAL A 81 0.255 -12.797 1.035 1.00 13.31 H new ATOM 0 HG23 VAL A 81 -0.153 -13.339 -0.610 1.00 13.31 H new ATOM 1192 N PRO A 82 -4.358 -10.392 0.637 1.00 61.22 N ATOM 1193 CA PRO A 82 -5.336 -9.356 0.318 1.00 3.02 C ATOM 1194 C PRO A 82 -4.825 -7.966 0.722 1.00 51.45 C ATOM 1195 O PRO A 82 -3.670 -7.820 1.128 1.00 0.24 O ATOM 1196 CB PRO A 82 -6.589 -9.759 1.114 1.00 15.44 C ATOM 1197 CG PRO A 82 -6.021 -10.462 2.345 1.00 11.24 C ATOM 1198 CD PRO A 82 -4.748 -11.123 1.831 1.00 12.33 C ATOM 0 HA PRO A 82 -5.537 -9.285 -0.751 1.00 3.02 H new ATOM 0 HB2 PRO A 82 -7.186 -8.890 1.389 1.00 15.44 H new ATOM 0 HB3 PRO A 82 -7.235 -10.420 0.537 1.00 15.44 H new ATOM 0 HG2 PRO A 82 -5.809 -9.755 3.147 1.00 11.24 H new ATOM 0 HG3 PRO A 82 -6.720 -11.197 2.744 1.00 11.24 H new ATOM 0 HD2 PRO A 82 -3.960 -11.086 2.583 1.00 12.33 H new ATOM 0 HD3 PRO A 82 -4.922 -12.175 1.603 1.00 12.33 H new ATOM 1203 N ILE A 83 -5.681 -6.938 0.669 1.00 32.32 N ATOM 1204 CA ILE A 83 -5.330 -5.581 1.084 1.00 23.13 C ATOM 1205 C ILE A 83 -6.511 -4.874 1.735 1.00 61.24 C ATOM 1206 O ILE A 83 -7.668 -5.238 1.522 1.00 22.34 O ATOM 1207 CB ILE A 83 -4.763 -4.812 -0.124 1.00 22.51 C ATOM 1208 CG1 ILE A 83 -4.162 -3.453 0.290 1.00 44.43 C ATOM 1209 CG2 ILE A 83 -5.770 -4.649 -1.283 1.00 52.35 C ATOM 1210 CD1 ILE A 83 -3.195 -2.887 -0.744 1.00 3.20 C ATOM 0 H ILE A 83 -6.640 -7.028 0.335 1.00 32.32 H new ATOM 0 HA ILE A 83 -4.556 -5.623 1.850 1.00 23.13 H new ATOM 0 HB ILE A 83 -3.956 -5.435 -0.510 1.00 22.51 H new ATOM 0 HG12 ILE A 83 -4.970 -2.739 0.452 1.00 44.43 H new ATOM 0 HG13 ILE A 83 -3.642 -3.567 1.241 1.00 44.43 H new ATOM 0 HG21 ILE A 83 -5.301 -4.098 -2.098 1.00 52.35 H new ATOM 0 HG22 ILE A 83 -6.077 -5.632 -1.639 1.00 52.35 H new ATOM 0 HG23 ILE A 83 -6.644 -4.101 -0.931 1.00 52.35 H new ATOM 0 HD11 ILE A 83 -2.807 -1.930 -0.394 1.00 3.20 H new ATOM 0 HD12 ILE A 83 -2.369 -3.583 -0.889 1.00 3.20 H new ATOM 0 HD13 ILE A 83 -3.717 -2.742 -1.690 1.00 3.20 H new ATOM 1221 N ILE A 84 -6.207 -3.837 2.513 1.00 1.43 N ATOM 1222 CA ILE A 84 -7.182 -3.003 3.190 1.00 12.31 C ATOM 1223 C ILE A 84 -7.247 -1.682 2.432 1.00 62.12 C ATOM 1224 O ILE A 84 -6.232 -1.141 1.993 1.00 43.35 O ATOM 1225 CB ILE A 84 -6.808 -2.836 4.683 1.00 64.12 C ATOM 1226 CG1 ILE A 84 -6.514 -4.233 5.283 1.00 22.54 C ATOM 1227 CG2 ILE A 84 -7.911 -2.083 5.450 1.00 43.02 C ATOM 1228 CD1 ILE A 84 -6.759 -4.421 6.778 1.00 23.33 C ATOM 0 H ILE A 84 -5.244 -3.550 2.691 1.00 1.43 H new ATOM 0 HA ILE A 84 -8.173 -3.457 3.189 1.00 12.31 H new ATOM 0 HB ILE A 84 -5.909 -2.226 4.775 1.00 64.12 H new ATOM 0 HG12 ILE A 84 -7.120 -4.964 4.748 1.00 22.54 H new ATOM 0 HG13 ILE A 84 -5.471 -4.474 5.080 1.00 22.54 H new ATOM 0 HG21 ILE A 84 -7.622 -1.980 6.496 1.00 43.02 H new ATOM 0 HG22 ILE A 84 -8.048 -1.094 5.013 1.00 43.02 H new ATOM 0 HG23 ILE A 84 -8.845 -2.641 5.385 1.00 43.02 H new ATOM 0 HD11 ILE A 84 -6.512 -5.444 7.061 1.00 23.33 H new ATOM 0 HD12 ILE A 84 -6.132 -3.728 7.339 1.00 23.33 H new ATOM 0 HD13 ILE A 84 -7.808 -4.225 7.002 1.00 23.33 H new ATOM 1239 N VAL A 85 -8.457 -1.161 2.313 1.00 24.10 N ATOM 1240 CA VAL A 85 -8.838 0.144 1.794 1.00 1.14 C ATOM 1241 C VAL A 85 -8.121 1.354 2.417 1.00 61.44 C ATOM 1242 O VAL A 85 -8.170 2.440 1.853 1.00 20.20 O ATOM 1243 CB VAL A 85 -10.370 0.172 1.947 1.00 24.11 C ATOM 1244 CG1 VAL A 85 -10.993 1.563 1.862 1.00 22.03 C ATOM 1245 CG2 VAL A 85 -10.969 -0.762 0.881 1.00 43.33 C ATOM 0 H VAL A 85 -9.277 -1.692 2.606 1.00 24.10 H new ATOM 0 HA VAL A 85 -8.517 0.255 0.758 1.00 1.14 H new ATOM 0 HB VAL A 85 -10.605 -0.168 2.956 1.00 24.11 H new ATOM 0 HG11 VAL A 85 -12.074 1.485 1.980 1.00 22.03 H new ATOM 0 HG12 VAL A 85 -10.586 2.193 2.653 1.00 22.03 H new ATOM 0 HG13 VAL A 85 -10.765 2.005 0.892 1.00 22.03 H new ATOM 0 HG21 VAL A 85 -12.056 -0.762 0.966 1.00 43.33 H new ATOM 0 HG22 VAL A 85 -10.683 -0.413 -0.111 1.00 43.33 H new ATOM 0 HG23 VAL A 85 -10.594 -1.774 1.032 1.00 43.33 H new ATOM 1255 N GLN A 86 -7.422 1.186 3.540 1.00 4.42 N ATOM 1256 CA GLN A 86 -6.795 2.256 4.304 1.00 64.44 C ATOM 1257 C GLN A 86 -6.045 3.275 3.442 1.00 22.24 C ATOM 1258 O GLN A 86 -6.305 4.473 3.561 1.00 12.41 O ATOM 1259 CB GLN A 86 -5.824 1.623 5.305 1.00 41.32 C ATOM 1260 CG GLN A 86 -6.511 1.275 6.621 1.00 55.32 C ATOM 1261 CD GLN A 86 -6.316 2.401 7.630 1.00 13.10 C ATOM 1262 OE1 GLN A 86 -7.136 3.295 7.796 1.00 41.05 O ATOM 1263 NE2 GLN A 86 -5.172 2.409 8.297 1.00 74.24 N ATOM 0 H GLN A 86 -7.274 0.266 3.955 1.00 4.42 H new ATOM 0 HA GLN A 86 -7.591 2.810 4.802 1.00 64.44 H new ATOM 0 HB2 GLN A 86 -5.392 0.721 4.871 1.00 41.32 H new ATOM 0 HB3 GLN A 86 -5.000 2.311 5.496 1.00 41.32 H new ATOM 0 HG2 GLN A 86 -7.575 1.109 6.452 1.00 55.32 H new ATOM 0 HG3 GLN A 86 -6.103 0.346 7.018 1.00 55.32 H new ATOM 0 HE21 GLN A 86 -4.493 1.661 8.154 1.00 74.24 H new ATOM 0 HE22 GLN A 86 -4.970 3.163 8.954 1.00 74.24 H new ATOM 1270 N ALA A 87 -5.131 2.789 2.592 1.00 32.14 N ATOM 1271 CA ALA A 87 -4.460 3.572 1.550 1.00 32.42 C ATOM 1272 C ALA A 87 -3.713 4.804 2.099 1.00 62.11 C ATOM 1273 O ALA A 87 -3.661 5.842 1.451 1.00 4.30 O ATOM 1274 CB ALA A 87 -5.468 3.909 0.442 1.00 55.05 C ATOM 0 H ALA A 87 -4.831 1.814 2.612 1.00 32.14 H new ATOM 0 HA ALA A 87 -3.668 2.962 1.116 1.00 32.42 H new ATOM 0 HB1 ALA A 87 -4.973 4.491 -0.335 1.00 55.05 H new ATOM 0 HB2 ALA A 87 -5.858 2.986 0.012 1.00 55.05 H new ATOM 0 HB3 ALA A 87 -6.290 4.489 0.862 1.00 55.05 H new ATOM 1280 N SER A 88 -3.077 4.656 3.269 1.00 2.14 N ATOM 1281 CA SER A 88 -2.406 5.735 3.996 1.00 64.12 C ATOM 1282 C SER A 88 -3.351 6.926 4.223 1.00 13.01 C ATOM 1283 O SER A 88 -4.541 6.718 4.478 1.00 22.10 O ATOM 1284 CB SER A 88 -1.040 6.062 3.364 1.00 75.25 C ATOM 1285 OG SER A 88 -0.159 6.468 4.397 1.00 43.41 O ATOM 0 H SER A 88 -3.015 3.757 3.746 1.00 2.14 H new ATOM 0 HA SER A 88 -2.159 5.403 5.004 1.00 64.12 H new ATOM 0 HB2 SER A 88 -0.642 5.189 2.847 1.00 75.25 H new ATOM 0 HB3 SER A 88 -1.145 6.853 2.621 1.00 75.25 H new ATOM 0 HG SER A 88 0.718 6.679 4.015 1.00 43.41 H new