USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 49 TYR OH : rot 10:sc= -1.65 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 159:sc= -0.419 (180deg=-0.929) USER MOD Single : A 16 THR OG1 : rot -124:sc= -0.815 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0275 K(o=-0.028,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -2 K(o=-2,f=-4.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.917 X(o=-0.92,f=-0.42) USER MOD Single : A 34 HIS : no HD1:sc= -2.35 K(o=-2.3,f=-3.8!) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.424 (180deg=-0.318) USER MOD Single : A 36 TYR OH : rot 180:sc= 0.0745 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.0157 (180deg=-0.245) USER MOD Single : A 51 HIS : no HD1:sc= -3.15 K(o=-3.1,f=-4.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -118:sc= 0.0043 (180deg=-0.0156) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0295) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -2.143 -3.216 -8.800 1.00 0.00 N ATOM 184 CA GLY A 13 -0.913 -4.045 -8.633 1.00 0.00 C ATOM 185 C GLY A 13 0.349 -3.178 -8.770 1.00 0.00 C ATOM 186 O GLY A 13 1.454 -3.677 -8.671 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.924 -4.528 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.899 -4.838 -9.381 1.00 0.00 H new ATOM 190 N GLY A 14 0.205 -1.890 -8.993 1.00 0.00 N ATOM 191 CA GLY A 14 1.406 -1.013 -9.129 1.00 0.00 C ATOM 192 C GLY A 14 1.771 -0.463 -7.756 1.00 0.00 C ATOM 193 O GLY A 14 2.931 -0.360 -7.401 1.00 0.00 O ATOM 0 H GLY A 14 -0.692 -1.413 -9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.241 -1.578 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.200 -0.196 -9.820 1.00 0.00 H new ATOM 197 N ILE A 15 0.780 -0.113 -6.981 1.00 0.00 N ATOM 198 CA ILE A 15 1.039 0.430 -5.620 1.00 0.00 C ATOM 199 C ILE A 15 1.607 -0.677 -4.742 1.00 0.00 C ATOM 200 O ILE A 15 2.633 -0.520 -4.108 1.00 0.00 O ATOM 201 CB ILE A 15 -0.272 0.912 -4.998 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.029 1.828 -5.975 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.036 1.677 -3.714 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.496 1.394 -6.048 1.00 0.00 C ATOM 0 H ILE A 15 -0.205 -0.181 -7.236 1.00 0.00 H new ATOM 0 HA ILE A 15 1.742 1.260 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.899 0.048 -4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.961 2.865 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.574 1.778 -6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.895 2.024 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.554 1.021 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.669 2.534 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.033 2.042 -6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.554 0.363 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.947 1.467 -5.058 1.00 0.00 H new ATOM 216 N THR A 16 0.932 -1.799 -4.694 1.00 0.00 N ATOM 217 CA THR A 16 1.402 -2.934 -3.848 1.00 0.00 C ATOM 218 C THR A 16 2.838 -3.318 -4.228 1.00 0.00 C ATOM 219 O THR A 16 3.623 -3.713 -3.388 1.00 0.00 O ATOM 220 CB THR A 16 0.480 -4.140 -4.052 1.00 0.00 C ATOM 221 OG1 THR A 16 0.989 -5.250 -3.326 1.00 0.00 O ATOM 222 CG2 THR A 16 0.411 -4.491 -5.540 1.00 0.00 C ATOM 0 H THR A 16 0.070 -1.976 -5.209 1.00 0.00 H new ATOM 0 HA THR A 16 1.381 -2.629 -2.802 1.00 0.00 H new ATOM 0 HB THR A 16 -0.520 -3.896 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.121 -6.006 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.246 -5.349 -5.681 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.020 -3.639 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.409 -4.735 -5.903 1.00 0.00 H new ATOM 230 N ASP A 17 3.183 -3.198 -5.486 1.00 0.00 N ATOM 231 CA ASP A 17 4.566 -3.550 -5.927 1.00 0.00 C ATOM 232 C ASP A 17 5.575 -2.647 -5.211 1.00 0.00 C ATOM 233 O ASP A 17 6.677 -3.059 -4.900 1.00 0.00 O ATOM 234 CB ASP A 17 4.686 -3.347 -7.439 1.00 0.00 C ATOM 235 CG ASP A 17 6.030 -3.896 -7.922 1.00 0.00 C ATOM 236 OD1 ASP A 17 7.035 -3.252 -7.674 1.00 0.00 O ATOM 237 OD2 ASP A 17 6.031 -4.953 -8.532 1.00 0.00 O ATOM 0 H ASP A 17 2.564 -2.870 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 17 4.771 -4.592 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.868 -3.855 -7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.605 -2.288 -7.682 1.00 0.00 H new ATOM 242 N MET A 18 5.199 -1.424 -4.945 1.00 0.00 N ATOM 243 CA MET A 18 6.123 -0.485 -4.245 1.00 0.00 C ATOM 244 C MET A 18 5.988 -0.642 -2.722 1.00 0.00 C ATOM 245 O MET A 18 6.823 -0.170 -1.973 1.00 0.00 O ATOM 246 CB MET A 18 5.780 0.954 -4.640 1.00 0.00 C ATOM 247 CG MET A 18 6.642 1.374 -5.832 1.00 0.00 C ATOM 248 SD MET A 18 6.489 3.159 -6.089 1.00 0.00 S ATOM 249 CE MET A 18 6.164 3.105 -7.868 1.00 0.00 C ATOM 0 H MET A 18 4.287 -1.034 -5.184 1.00 0.00 H new ATOM 0 HA MET A 18 7.148 -0.714 -4.535 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.723 1.030 -4.897 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.953 1.625 -3.798 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.684 1.110 -5.652 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.328 0.839 -6.728 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.034 4.119 -8.245 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.004 2.633 -8.377 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.257 2.530 -8.055 1.00 0.00 H new ATOM 259 N LEU A 19 4.955 -1.312 -2.258 1.00 0.00 N ATOM 260 CA LEU A 19 4.783 -1.503 -0.790 1.00 0.00 C ATOM 261 C LEU A 19 5.587 -2.728 -0.373 1.00 0.00 C ATOM 262 O LEU A 19 6.166 -2.775 0.695 1.00 0.00 O ATOM 263 CB LEU A 19 3.301 -1.730 -0.469 1.00 0.00 C ATOM 264 CG LEU A 19 2.585 -0.377 -0.305 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.367 -0.318 -1.232 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.117 -0.210 1.144 1.00 0.00 C ATOM 0 H LEU A 19 4.228 -1.732 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 19 5.129 -0.620 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.831 -2.305 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.204 -2.315 0.445 1.00 0.00 H new ATOM 0 HG LEU A 19 3.280 0.423 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.864 0.642 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.691 -0.430 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.677 -1.123 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.611 0.749 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.428 -1.015 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.978 -0.245 1.811 1.00 0.00 H new ATOM 278 N VAL A 20 5.630 -3.713 -1.227 1.00 0.00 N ATOM 279 CA VAL A 20 6.397 -4.948 -0.923 1.00 0.00 C ATOM 280 C VAL A 20 7.891 -4.666 -1.118 1.00 0.00 C ATOM 281 O VAL A 20 8.730 -5.230 -0.441 1.00 0.00 O ATOM 282 CB VAL A 20 5.945 -6.057 -1.875 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.699 -7.347 -1.564 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.442 -6.295 -1.699 1.00 0.00 C ATOM 0 H VAL A 20 5.160 -3.712 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 20 6.221 -5.261 0.106 1.00 0.00 H new ATOM 0 HB VAL A 20 6.154 -5.756 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.372 -8.133 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.769 -7.182 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.494 -7.649 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.117 -7.085 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.239 -6.593 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.899 -5.377 -1.925 1.00 0.00 H new ATOM 294 N GLU A 21 8.220 -3.794 -2.037 1.00 0.00 N ATOM 295 CA GLU A 21 9.654 -3.466 -2.285 1.00 0.00 C ATOM 296 C GLU A 21 10.244 -2.782 -1.052 1.00 0.00 C ATOM 297 O GLU A 21 11.160 -3.294 -0.430 1.00 0.00 O ATOM 298 CB GLU A 21 9.762 -2.529 -3.490 1.00 0.00 C ATOM 299 CG GLU A 21 11.207 -2.507 -3.989 1.00 0.00 C ATOM 300 CD GLU A 21 11.965 -1.365 -3.310 1.00 0.00 C ATOM 301 OE1 GLU A 21 12.531 -1.601 -2.256 1.00 0.00 O ATOM 302 OE2 GLU A 21 11.965 -0.274 -3.855 1.00 0.00 O ATOM 0 H GLU A 21 7.555 -3.295 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 21 10.206 -4.384 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.096 -2.864 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.446 -1.523 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.692 -3.459 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.227 -2.378 -5.071 1.00 0.00 H new ATOM 309 N LEU A 22 9.732 -1.629 -0.687 1.00 0.00 N ATOM 310 CA LEU A 22 10.275 -0.924 0.510 1.00 0.00 C ATOM 311 C LEU A 22 10.030 -1.789 1.753 1.00 0.00 C ATOM 312 O LEU A 22 10.819 -1.800 2.677 1.00 0.00 O ATOM 313 CB LEU A 22 9.610 0.462 0.661 1.00 0.00 C ATOM 314 CG LEU A 22 8.146 0.334 1.108 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.079 0.254 2.641 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.358 1.556 0.628 1.00 0.00 C ATOM 0 H LEU A 22 8.967 -1.152 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 22 11.347 -0.768 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.164 1.056 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.657 0.996 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 22 7.715 -0.571 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.039 0.163 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.639 -0.615 2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.511 1.157 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.319 1.466 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.791 2.460 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.402 1.613 -0.460 1.00 0.00 H new ATOM 328 N ALA A 23 8.939 -2.524 1.771 1.00 0.00 N ATOM 329 CA ALA A 23 8.627 -3.404 2.942 1.00 0.00 C ATOM 330 C ALA A 23 9.829 -4.308 3.228 1.00 0.00 C ATOM 331 O ALA A 23 10.218 -4.503 4.364 1.00 0.00 O ATOM 332 CB ALA A 23 7.406 -4.269 2.624 1.00 0.00 C ATOM 0 H ALA A 23 8.250 -2.550 1.020 1.00 0.00 H new ATOM 0 HA ALA A 23 8.415 -2.786 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.181 -4.908 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.550 -3.627 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.616 -4.888 1.752 1.00 0.00 H new ATOM 338 N ASN A 24 10.434 -4.837 2.194 1.00 0.00 N ATOM 339 CA ASN A 24 11.631 -5.702 2.382 1.00 0.00 C ATOM 340 C ASN A 24 12.743 -4.852 2.998 1.00 0.00 C ATOM 341 O ASN A 24 13.485 -5.299 3.849 1.00 0.00 O ATOM 342 CB ASN A 24 12.085 -6.243 1.022 1.00 0.00 C ATOM 343 CG ASN A 24 11.364 -7.560 0.720 1.00 0.00 C ATOM 344 OD1 ASN A 24 10.368 -7.883 1.339 1.00 0.00 O ATOM 345 ND2 ASN A 24 11.827 -8.340 -0.218 1.00 0.00 N ATOM 0 H ASN A 24 10.146 -4.704 1.224 1.00 0.00 H new ATOM 0 HA ASN A 24 11.396 -6.541 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.872 -5.514 0.241 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.164 -6.401 1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.354 -9.218 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.662 -8.071 -0.739 1.00 0.00 H new ATOM 352 N PHE A 25 12.837 -3.617 2.578 1.00 0.00 N ATOM 353 CA PHE A 25 13.875 -2.699 3.134 1.00 0.00 C ATOM 354 C PHE A 25 13.634 -2.494 4.631 1.00 0.00 C ATOM 355 O PHE A 25 14.540 -2.155 5.367 1.00 0.00 O ATOM 356 CB PHE A 25 13.786 -1.350 2.419 1.00 0.00 C ATOM 357 CG PHE A 25 14.946 -0.478 2.832 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.194 -0.638 2.220 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.773 0.491 3.829 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.271 0.170 2.604 1.00 0.00 C ATOM 361 CE2 PHE A 25 15.850 1.299 4.213 1.00 0.00 C ATOM 362 CZ PHE A 25 17.099 1.138 3.600 1.00 0.00 C ATOM 0 H PHE A 25 12.234 -3.202 1.868 1.00 0.00 H new ATOM 0 HA PHE A 25 14.863 -3.134 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.797 -1.498 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.844 -0.859 2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.327 -1.385 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.810 0.615 4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.234 0.046 2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.718 2.046 4.982 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.930 1.761 3.896 1.00 0.00 H new ATOM 372 N GLU A 26 12.422 -2.691 5.087 1.00 0.00 N ATOM 373 CA GLU A 26 12.129 -2.502 6.539 1.00 0.00 C ATOM 374 C GLU A 26 12.644 -3.716 7.315 1.00 0.00 C ATOM 375 O GLU A 26 13.453 -3.590 8.215 1.00 0.00 O ATOM 376 CB GLU A 26 10.613 -2.351 6.773 1.00 0.00 C ATOM 377 CG GLU A 26 9.957 -1.493 5.675 1.00 0.00 C ATOM 378 CD GLU A 26 10.675 -0.143 5.543 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.836 -0.145 5.170 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.048 0.868 5.817 1.00 0.00 O ATOM 0 H GLU A 26 11.625 -2.974 4.517 1.00 0.00 H new ATOM 0 HA GLU A 26 12.626 -1.596 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.147 -3.336 6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.437 -1.894 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.990 -2.023 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.906 -1.330 5.913 1.00 0.00 H new ATOM 387 N LYS A 27 12.180 -4.891 6.970 1.00 0.00 N ATOM 388 CA LYS A 27 12.638 -6.122 7.679 1.00 0.00 C ATOM 389 C LYS A 27 14.124 -6.357 7.387 1.00 0.00 C ATOM 390 O LYS A 27 14.886 -6.715 8.266 1.00 0.00 O ATOM 391 CB LYS A 27 11.821 -7.321 7.191 1.00 0.00 C ATOM 392 CG LYS A 27 12.199 -8.566 7.998 1.00 0.00 C ATOM 393 CD LYS A 27 12.094 -9.804 7.104 1.00 0.00 C ATOM 394 CE LYS A 27 12.777 -10.990 7.787 1.00 0.00 C ATOM 395 NZ LYS A 27 13.439 -11.842 6.759 1.00 0.00 N ATOM 0 H LYS A 27 11.501 -5.050 6.225 1.00 0.00 H new ATOM 0 HA LYS A 27 12.497 -6.000 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.756 -7.116 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.007 -7.493 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.214 -8.468 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.539 -8.669 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.047 -10.037 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.561 -9.609 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.513 -10.634 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.044 -11.575 8.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.903 -12.648 7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.726 -12.192 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.150 -11.280 6.248 1.00 0.00 H new ATOM 409 N ASN A 28 14.542 -6.157 6.159 1.00 0.00 N ATOM 410 CA ASN A 28 15.981 -6.365 5.805 1.00 0.00 C ATOM 411 C ASN A 28 16.864 -5.462 6.675 1.00 0.00 C ATOM 412 O ASN A 28 18.021 -5.757 6.914 1.00 0.00 O ATOM 413 CB ASN A 28 16.203 -6.022 4.330 1.00 0.00 C ATOM 414 CG ASN A 28 15.651 -7.148 3.455 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.871 -6.908 2.554 1.00 0.00 O ATOM 416 ND2 ASN A 28 16.025 -8.377 3.682 1.00 0.00 N ATOM 0 H ASN A 28 13.947 -5.858 5.386 1.00 0.00 H new ATOM 0 HA ASN A 28 16.245 -7.408 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.708 -5.082 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.266 -5.883 4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.663 -9.135 3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.679 -8.580 4.438 1.00 0.00 H new ATOM 423 N VAL A 29 16.322 -4.371 7.154 1.00 0.00 N ATOM 424 CA VAL A 29 17.113 -3.450 8.016 1.00 0.00 C ATOM 425 C VAL A 29 16.948 -3.894 9.478 1.00 0.00 C ATOM 426 O VAL A 29 16.074 -4.676 9.799 1.00 0.00 O ATOM 427 CB VAL A 29 16.604 -2.012 7.805 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.221 -1.056 8.834 1.00 0.00 C ATOM 429 CG2 VAL A 29 16.997 -1.548 6.401 1.00 0.00 C ATOM 0 H VAL A 29 15.360 -4.080 6.982 1.00 0.00 H new ATOM 0 HA VAL A 29 18.172 -3.479 7.759 1.00 0.00 H new ATOM 0 HB VAL A 29 15.521 -2.004 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.846 -0.047 8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.950 -1.379 9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.306 -1.062 8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.641 -0.530 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.082 -1.573 6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.548 -2.210 5.660 1.00 0.00 H new ATOM 439 N SER A 30 17.798 -3.420 10.353 1.00 0.00 N ATOM 440 CA SER A 30 17.715 -3.831 11.787 1.00 0.00 C ATOM 441 C SER A 30 16.573 -3.101 12.500 1.00 0.00 C ATOM 442 O SER A 30 15.581 -3.700 12.869 1.00 0.00 O ATOM 443 CB SER A 30 19.036 -3.500 12.481 1.00 0.00 C ATOM 444 OG SER A 30 18.964 -3.898 13.843 1.00 0.00 O ATOM 0 H SER A 30 18.548 -2.764 10.135 1.00 0.00 H new ATOM 0 HA SER A 30 17.522 -4.903 11.832 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.860 -4.012 11.984 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.238 -2.431 12.413 1.00 0.00 H new ATOM 0 HG SER A 30 19.810 -3.689 14.290 1.00 0.00 H new ATOM 450 N GLN A 31 16.717 -1.818 12.720 1.00 0.00 N ATOM 451 CA GLN A 31 15.655 -1.052 13.438 1.00 0.00 C ATOM 452 C GLN A 31 14.558 -0.603 12.462 1.00 0.00 C ATOM 453 O GLN A 31 14.315 0.578 12.288 1.00 0.00 O ATOM 454 CB GLN A 31 16.284 0.174 14.106 1.00 0.00 C ATOM 455 CG GLN A 31 16.728 -0.188 15.524 1.00 0.00 C ATOM 456 CD GLN A 31 15.496 -0.376 16.411 1.00 0.00 C ATOM 457 OE1 GLN A 31 14.984 0.573 16.970 1.00 0.00 O ATOM 458 NE2 GLN A 31 14.994 -1.572 16.566 1.00 0.00 N ATOM 0 H GLN A 31 17.526 -1.268 12.432 1.00 0.00 H new ATOM 0 HA GLN A 31 15.203 -1.696 14.193 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.138 0.520 13.524 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.566 0.993 14.137 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.321 -1.102 15.509 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.365 0.598 15.929 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.423 -2.370 16.097 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.173 -1.708 17.156 1.00 0.00 H new ATOM 467 N ALA A 32 13.884 -1.535 11.834 1.00 0.00 N ATOM 468 CA ALA A 32 12.796 -1.157 10.887 1.00 0.00 C ATOM 469 C ALA A 32 11.734 -2.262 10.850 1.00 0.00 C ATOM 470 O ALA A 32 11.360 -2.746 9.797 1.00 0.00 O ATOM 471 CB ALA A 32 13.382 -0.947 9.489 1.00 0.00 C ATOM 0 H ALA A 32 14.041 -2.537 11.937 1.00 0.00 H new ATOM 0 HA ALA A 32 12.331 -0.230 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.585 -0.671 8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.126 -0.151 9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.853 -1.870 9.150 1.00 0.00 H new ATOM 477 N ILE A 33 11.242 -2.661 11.997 1.00 0.00 N ATOM 478 CA ILE A 33 10.200 -3.728 12.040 1.00 0.00 C ATOM 479 C ILE A 33 8.814 -3.072 12.188 1.00 0.00 C ATOM 480 O ILE A 33 7.822 -3.605 11.741 1.00 0.00 O ATOM 481 CB ILE A 33 10.541 -4.719 13.197 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.702 -6.136 12.627 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.466 -4.750 14.296 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.827 -6.160 11.588 1.00 0.00 C ATOM 0 H ILE A 33 11.519 -2.292 12.906 1.00 0.00 H new ATOM 0 HA ILE A 33 10.180 -4.306 11.116 1.00 0.00 H new ATOM 0 HB ILE A 33 11.468 -4.368 13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.924 -6.837 13.432 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.767 -6.461 12.170 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.759 -5.457 15.072 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.362 -3.756 14.731 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.514 -5.059 13.865 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.933 -7.169 11.190 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.587 -5.473 10.776 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.762 -5.855 12.057 1.00 0.00 H new ATOM 496 N HIS A 34 8.748 -1.922 12.805 1.00 0.00 N ATOM 497 CA HIS A 34 7.425 -1.230 12.965 1.00 0.00 C ATOM 498 C HIS A 34 6.913 -0.837 11.577 1.00 0.00 C ATOM 499 O HIS A 34 5.781 -1.113 11.215 1.00 0.00 O ATOM 500 CB HIS A 34 7.546 0.032 13.852 1.00 0.00 C ATOM 501 CG HIS A 34 8.854 0.747 13.613 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.001 0.429 14.321 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.216 1.747 12.744 1.00 0.00 C ATOM 504 CE1 HIS A 34 10.990 1.217 13.870 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.567 2.042 12.909 1.00 0.00 N ATOM 0 H HIS A 34 9.547 -1.430 13.205 1.00 0.00 H new ATOM 0 HA HIS A 34 6.729 -1.911 13.455 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.716 0.707 13.643 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.470 -0.250 14.902 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.554 2.230 12.041 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.004 1.187 14.240 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.115 2.738 12.404 1.00 0.00 H new ATOM 513 N LYS A 35 7.750 -0.213 10.792 1.00 0.00 N ATOM 514 CA LYS A 35 7.341 0.189 9.414 1.00 0.00 C ATOM 515 C LYS A 35 7.172 -1.063 8.542 1.00 0.00 C ATOM 516 O LYS A 35 6.481 -1.042 7.543 1.00 0.00 O ATOM 517 CB LYS A 35 8.415 1.100 8.807 1.00 0.00 C ATOM 518 CG LYS A 35 9.799 0.442 8.929 1.00 0.00 C ATOM 519 CD LYS A 35 10.785 1.416 9.583 1.00 0.00 C ATOM 520 CE LYS A 35 10.985 2.632 8.677 1.00 0.00 C ATOM 521 NZ LYS A 35 11.960 2.295 7.602 1.00 0.00 N ATOM 0 H LYS A 35 8.705 0.037 11.047 1.00 0.00 H new ATOM 0 HA LYS A 35 6.394 0.727 9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.188 1.294 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.416 2.063 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.727 -0.469 9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.161 0.152 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.407 1.733 10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.740 0.920 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.033 2.933 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.349 3.478 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.569 3.117 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.547 1.492 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.446 2.041 6.734 1.00 0.00 H new ATOM 535 N TYR A 36 7.797 -2.158 8.917 1.00 0.00 N ATOM 536 CA TYR A 36 7.677 -3.419 8.122 1.00 0.00 C ATOM 537 C TYR A 36 6.196 -3.809 7.995 1.00 0.00 C ATOM 538 O TYR A 36 5.640 -3.810 6.914 1.00 0.00 O ATOM 539 CB TYR A 36 8.452 -4.530 8.843 1.00 0.00 C ATOM 540 CG TYR A 36 8.395 -5.815 8.052 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.721 -5.822 6.692 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.021 -7.003 8.689 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.673 -7.017 5.967 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.973 -8.199 7.966 1.00 0.00 C ATOM 545 CZ TYR A 36 8.299 -8.207 6.604 1.00 0.00 C ATOM 546 OH TYR A 36 8.253 -9.388 5.889 1.00 0.00 O ATOM 0 H TYR A 36 8.388 -2.229 9.745 1.00 0.00 H new ATOM 0 HA TYR A 36 8.088 -3.273 7.123 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.490 -4.227 8.981 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.032 -4.689 9.836 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.010 -4.904 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.769 -6.996 9.739 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.924 -7.022 4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.685 -9.116 8.458 1.00 0.00 H new ATOM 0 HH TYR A 36 7.976 -10.118 6.481 1.00 0.00 H new ATOM 556 N ASN A 37 5.556 -4.125 9.095 1.00 0.00 N ATOM 557 CA ASN A 37 4.108 -4.502 9.053 1.00 0.00 C ATOM 558 C ASN A 37 3.298 -3.379 8.390 1.00 0.00 C ATOM 559 O ASN A 37 2.241 -3.611 7.834 1.00 0.00 O ATOM 560 CB ASN A 37 3.598 -4.725 10.479 1.00 0.00 C ATOM 561 CG ASN A 37 3.813 -6.186 10.877 1.00 0.00 C ATOM 562 OD1 ASN A 37 2.871 -6.948 10.966 1.00 0.00 O ATOM 563 ND2 ASN A 37 5.022 -6.612 11.123 1.00 0.00 N ATOM 0 H ASN A 37 5.976 -4.138 10.024 1.00 0.00 H new ATOM 0 HA ASN A 37 3.991 -5.419 8.475 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.124 -4.068 11.171 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.540 -4.472 10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.176 -7.584 11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.813 -5.972 11.048 1.00 0.00 H new ATOM 570 N ALA A 38 3.796 -2.164 8.436 1.00 0.00 N ATOM 571 CA ALA A 38 3.074 -1.016 7.800 1.00 0.00 C ATOM 572 C ALA A 38 2.789 -1.326 6.326 1.00 0.00 C ATOM 573 O ALA A 38 1.651 -1.436 5.910 1.00 0.00 O ATOM 574 CB ALA A 38 3.957 0.233 7.881 1.00 0.00 C ATOM 0 H ALA A 38 4.676 -1.918 8.889 1.00 0.00 H new ATOM 0 HA ALA A 38 2.132 -0.851 8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.440 1.075 7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.166 0.463 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.894 0.051 7.355 1.00 0.00 H new ATOM 580 N TYR A 39 3.821 -1.454 5.538 1.00 0.00 N ATOM 581 CA TYR A 39 3.636 -1.737 4.084 1.00 0.00 C ATOM 582 C TYR A 39 3.396 -3.231 3.861 1.00 0.00 C ATOM 583 O TYR A 39 2.784 -3.626 2.887 1.00 0.00 O ATOM 584 CB TYR A 39 4.890 -1.299 3.321 1.00 0.00 C ATOM 585 CG TYR A 39 5.224 0.135 3.667 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.017 0.419 4.787 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.742 1.178 2.869 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.326 1.746 5.108 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.052 2.505 3.190 1.00 0.00 C ATOM 590 CZ TYR A 39 5.844 2.789 4.309 1.00 0.00 C ATOM 591 OH TYR A 39 6.150 4.097 4.625 1.00 0.00 O ATOM 0 H TYR A 39 4.792 -1.374 5.840 1.00 0.00 H new ATOM 0 HA TYR A 39 2.770 -1.184 3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.727 -1.949 3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.726 -1.395 2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.390 -0.386 5.403 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.131 0.960 2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.936 1.965 5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.680 3.310 2.574 1.00 0.00 H new ATOM 0 HH TYR A 39 5.738 4.697 3.969 1.00 0.00 H new ATOM 601 N ARG A 40 3.874 -4.065 4.751 1.00 0.00 N ATOM 602 CA ARG A 40 3.677 -5.536 4.586 1.00 0.00 C ATOM 603 C ARG A 40 2.181 -5.865 4.609 1.00 0.00 C ATOM 604 O ARG A 40 1.696 -6.639 3.806 1.00 0.00 O ATOM 605 CB ARG A 40 4.381 -6.275 5.725 1.00 0.00 C ATOM 606 CG ARG A 40 4.469 -7.766 5.390 1.00 0.00 C ATOM 607 CD ARG A 40 5.402 -7.967 4.194 1.00 0.00 C ATOM 608 NE ARG A 40 5.740 -9.417 4.063 1.00 0.00 N ATOM 609 CZ ARG A 40 4.869 -10.287 3.591 1.00 0.00 C ATOM 610 NH1 ARG A 40 3.662 -9.920 3.224 1.00 0.00 N ATOM 611 NH2 ARG A 40 5.212 -11.541 3.488 1.00 0.00 N ATOM 0 H ARG A 40 4.392 -3.789 5.585 1.00 0.00 H new ATOM 0 HA ARG A 40 4.099 -5.851 3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.380 -5.866 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.835 -6.133 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.840 -8.322 6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.478 -8.157 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.923 -7.611 3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.312 -7.381 4.326 1.00 0.00 H new ATOM 0 HE ARG A 40 6.665 -9.741 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.381 -8.943 3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.006 -10.612 2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.145 -11.839 3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.547 -12.223 3.124 1.00 0.00 H new ATOM 625 N LYS A 41 1.451 -5.285 5.528 1.00 0.00 N ATOM 626 CA LYS A 41 -0.014 -5.563 5.612 1.00 0.00 C ATOM 627 C LYS A 41 -0.754 -4.774 4.530 1.00 0.00 C ATOM 628 O LYS A 41 -1.648 -5.287 3.882 1.00 0.00 O ATOM 629 CB LYS A 41 -0.532 -5.147 6.991 1.00 0.00 C ATOM 630 CG LYS A 41 -1.646 -6.101 7.427 1.00 0.00 C ATOM 631 CD LYS A 41 -1.737 -6.119 8.954 1.00 0.00 C ATOM 632 CE LYS A 41 -2.414 -7.413 9.411 1.00 0.00 C ATOM 633 NZ LYS A 41 -3.885 -7.195 9.514 1.00 0.00 N ATOM 0 H LYS A 41 1.807 -4.630 6.224 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.188 -6.628 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.281 -5.164 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.907 -4.124 6.957 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.598 -5.785 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.446 -7.105 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.740 -6.045 9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.303 -5.256 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.203 -8.215 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.013 -7.725 10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.345 -8.074 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.077 -6.441 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.261 -6.917 8.585 1.00 0.00 H new ATOM 647 N ALA A 42 -0.390 -3.533 4.331 1.00 0.00 N ATOM 648 CA ALA A 42 -1.073 -2.704 3.293 1.00 0.00 C ATOM 649 C ALA A 42 -0.840 -3.316 1.910 1.00 0.00 C ATOM 650 O ALA A 42 -1.660 -3.188 1.022 1.00 0.00 O ATOM 651 CB ALA A 42 -0.509 -1.282 3.321 1.00 0.00 C ATOM 0 H ALA A 42 0.352 -3.057 4.844 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.143 -2.676 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.008 -0.678 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.678 -0.843 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.561 -1.311 3.115 1.00 0.00 H new ATOM 657 N ALA A 43 0.274 -3.979 1.722 1.00 0.00 N ATOM 658 CA ALA A 43 0.564 -4.600 0.397 1.00 0.00 C ATOM 659 C ALA A 43 -0.259 -5.880 0.239 1.00 0.00 C ATOM 660 O ALA A 43 -0.646 -6.244 -0.855 1.00 0.00 O ATOM 661 CB ALA A 43 2.054 -4.944 0.307 1.00 0.00 C ATOM 0 H ALA A 43 0.995 -4.116 2.431 1.00 0.00 H new ATOM 0 HA ALA A 43 0.302 -3.897 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.265 -5.398 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.645 -4.035 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.314 -5.645 1.100 1.00 0.00 H new ATOM 667 N SER A 44 -0.523 -6.565 1.322 1.00 0.00 N ATOM 668 CA SER A 44 -1.314 -7.829 1.243 1.00 0.00 C ATOM 669 C SER A 44 -2.797 -7.509 1.030 1.00 0.00 C ATOM 670 O SER A 44 -3.475 -8.167 0.262 1.00 0.00 O ATOM 671 CB SER A 44 -1.147 -8.612 2.546 1.00 0.00 C ATOM 672 OG SER A 44 -1.750 -9.891 2.405 1.00 0.00 O ATOM 0 H SER A 44 -0.223 -6.302 2.261 1.00 0.00 H new ATOM 0 HA SER A 44 -0.954 -8.424 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.089 -8.720 2.786 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.607 -8.069 3.372 1.00 0.00 H new ATOM 0 HG SER A 44 -1.644 -10.396 3.238 1.00 0.00 H new ATOM 678 N VAL A 45 -3.306 -6.512 1.709 1.00 0.00 N ATOM 679 CA VAL A 45 -4.749 -6.155 1.557 1.00 0.00 C ATOM 680 C VAL A 45 -4.993 -5.527 0.177 1.00 0.00 C ATOM 681 O VAL A 45 -5.956 -5.848 -0.492 1.00 0.00 O ATOM 682 CB VAL A 45 -5.156 -5.172 2.668 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.341 -3.878 2.557 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.650 -4.844 2.548 1.00 0.00 C ATOM 0 H VAL A 45 -2.783 -5.929 2.363 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.354 -7.058 1.640 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.959 -5.636 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.639 -3.191 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.280 -4.107 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.524 -3.415 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.934 -4.147 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.846 -4.391 1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.233 -5.760 2.646 1.00 0.00 H new ATOM 694 N ILE A 46 -4.135 -4.632 -0.245 1.00 0.00 N ATOM 695 CA ILE A 46 -4.324 -3.977 -1.573 1.00 0.00 C ATOM 696 C ILE A 46 -3.986 -4.967 -2.695 1.00 0.00 C ATOM 697 O ILE A 46 -4.514 -4.877 -3.786 1.00 0.00 O ATOM 698 CB ILE A 46 -3.415 -2.746 -1.666 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.729 -1.801 -0.501 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.665 -2.017 -2.990 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.742 -0.631 -0.499 1.00 0.00 C ATOM 0 H ILE A 46 -3.312 -4.327 0.274 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.363 -3.666 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.372 -3.060 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.749 -1.427 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.668 -2.341 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.017 -1.143 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.449 -2.688 -3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.707 -1.701 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.971 0.037 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.727 -1.012 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.825 -0.084 -1.438 1.00 0.00 H new ATOM 713 N ALA A 47 -3.115 -5.910 -2.433 1.00 0.00 N ATOM 714 CA ALA A 47 -2.747 -6.906 -3.484 1.00 0.00 C ATOM 715 C ALA A 47 -3.832 -7.984 -3.586 1.00 0.00 C ATOM 716 O ALA A 47 -3.972 -8.634 -4.605 1.00 0.00 O ATOM 717 CB ALA A 47 -1.415 -7.564 -3.121 1.00 0.00 C ATOM 0 H ALA A 47 -2.644 -6.032 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.656 -6.394 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.147 -8.291 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.638 -6.802 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.509 -8.069 -2.160 1.00 0.00 H new ATOM 723 N LYS A 48 -4.599 -8.182 -2.539 1.00 0.00 N ATOM 724 CA LYS A 48 -5.672 -9.218 -2.578 1.00 0.00 C ATOM 725 C LYS A 48 -7.038 -8.545 -2.428 1.00 0.00 C ATOM 726 O LYS A 48 -7.980 -9.136 -1.936 1.00 0.00 O ATOM 727 CB LYS A 48 -5.465 -10.205 -1.427 1.00 0.00 C ATOM 728 CG LYS A 48 -6.230 -11.499 -1.717 1.00 0.00 C ATOM 729 CD LYS A 48 -6.590 -12.185 -0.398 1.00 0.00 C ATOM 730 CE LYS A 48 -6.968 -13.642 -0.667 1.00 0.00 C ATOM 731 NZ LYS A 48 -5.737 -14.433 -0.947 1.00 0.00 N ATOM 0 H LYS A 48 -4.525 -7.669 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.630 -9.749 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.403 -10.418 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.813 -9.767 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.135 -11.280 -2.284 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.622 -12.164 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.746 -12.138 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.420 -11.665 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.492 -14.058 0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.651 -13.701 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.927 -15.442 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.453 -14.294 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.971 -14.116 -0.319 1.00 0.00 H new ATOM 745 N TYR A 49 -7.147 -7.312 -2.850 1.00 0.00 N ATOM 746 CA TYR A 49 -8.444 -6.586 -2.739 1.00 0.00 C ATOM 747 C TYR A 49 -9.284 -6.866 -3.999 1.00 0.00 C ATOM 748 O TYR A 49 -8.735 -6.951 -5.081 1.00 0.00 O ATOM 749 CB TYR A 49 -8.158 -5.080 -2.618 1.00 0.00 C ATOM 750 CG TYR A 49 -9.278 -4.373 -1.878 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.801 -4.911 -0.694 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.785 -3.166 -2.377 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.828 -4.246 -0.015 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.811 -2.501 -1.695 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.334 -3.041 -0.515 1.00 0.00 C ATOM 756 OH TYR A 49 -12.344 -2.385 0.157 1.00 0.00 O ATOM 0 H TYR A 49 -6.388 -6.775 -3.269 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.995 -6.921 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.216 -4.926 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.043 -4.647 -3.612 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.411 -5.840 -0.305 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.384 -2.748 -3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.231 -4.663 0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.199 -1.570 -2.080 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.478 -2.802 1.034 1.00 0.00 H new ATOM 766 N PRO A 50 -10.589 -7.008 -3.843 1.00 0.00 N ATOM 767 CA PRO A 50 -11.521 -7.286 -4.979 1.00 0.00 C ATOM 768 C PRO A 50 -11.958 -5.988 -5.667 1.00 0.00 C ATOM 769 O PRO A 50 -12.819 -6.004 -6.528 1.00 0.00 O ATOM 770 CB PRO A 50 -12.710 -7.957 -4.306 1.00 0.00 C ATOM 771 CG PRO A 50 -12.713 -7.520 -2.852 1.00 0.00 C ATOM 772 CD PRO A 50 -11.343 -6.910 -2.542 1.00 0.00 C ATOM 0 HA PRO A 50 -11.063 -7.897 -5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.641 -7.670 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.632 -9.042 -4.381 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.504 -6.792 -2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.909 -8.370 -2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.434 -5.875 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.836 -7.455 -1.746 1.00 0.00 H new ATOM 780 N HIS A 51 -11.388 -4.866 -5.295 1.00 0.00 N ATOM 781 CA HIS A 51 -11.798 -3.579 -5.935 1.00 0.00 C ATOM 782 C HIS A 51 -10.588 -2.650 -6.046 1.00 0.00 C ATOM 783 O HIS A 51 -9.532 -2.927 -5.509 1.00 0.00 O ATOM 784 CB HIS A 51 -12.893 -2.912 -5.089 1.00 0.00 C ATOM 785 CG HIS A 51 -13.950 -3.931 -4.741 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.838 -4.429 -5.682 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.248 -4.577 -3.566 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.619 -5.333 -5.063 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.303 -5.460 -3.771 1.00 0.00 N ATOM 0 H HIS A 51 -10.663 -4.787 -4.582 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.187 -3.778 -6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.461 -2.495 -4.179 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.339 -2.083 -5.639 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.740 -4.423 -2.625 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.406 -5.889 -5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.741 -6.073 -3.083 1.00 0.00 H new ATOM 797 N LYS A 52 -10.734 -1.556 -6.750 1.00 0.00 N ATOM 798 CA LYS A 52 -9.596 -0.604 -6.910 1.00 0.00 C ATOM 799 C LYS A 52 -9.744 0.543 -5.910 1.00 0.00 C ATOM 800 O LYS A 52 -10.818 1.084 -5.727 1.00 0.00 O ATOM 801 CB LYS A 52 -9.600 -0.041 -8.333 1.00 0.00 C ATOM 802 CG LYS A 52 -8.344 0.805 -8.554 1.00 0.00 C ATOM 803 CD LYS A 52 -8.190 1.111 -10.045 1.00 0.00 C ATOM 804 CE LYS A 52 -7.600 2.511 -10.224 1.00 0.00 C ATOM 805 NZ LYS A 52 -8.702 3.513 -10.272 1.00 0.00 N ATOM 0 H LYS A 52 -11.596 -1.281 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.657 -1.127 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.634 -0.855 -9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.492 0.565 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.414 1.733 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.466 0.273 -8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.542 0.370 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.158 1.047 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.922 2.739 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.014 2.555 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.301 4.465 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.332 3.298 -11.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.243 3.476 -9.385 1.00 0.00 H new ATOM 819 N ILE A 53 -8.669 0.917 -5.263 1.00 0.00 N ATOM 820 CA ILE A 53 -8.735 2.032 -4.273 1.00 0.00 C ATOM 821 C ILE A 53 -8.881 3.361 -5.018 1.00 0.00 C ATOM 822 O ILE A 53 -8.043 3.724 -5.823 1.00 0.00 O ATOM 823 CB ILE A 53 -7.456 2.049 -3.433 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.223 0.661 -2.827 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.598 3.075 -2.308 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.844 0.615 -2.169 1.00 0.00 C ATOM 0 H ILE A 53 -7.747 0.496 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.593 1.887 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.611 2.317 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.996 0.440 -2.091 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.293 -0.102 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.687 3.087 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.764 4.064 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.444 2.807 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.679 -0.373 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.077 0.817 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.791 1.367 -1.382 1.00 0.00 H new ATOM 838 N LYS A 54 -9.941 4.084 -4.760 1.00 0.00 N ATOM 839 CA LYS A 54 -10.153 5.390 -5.453 1.00 0.00 C ATOM 840 C LYS A 54 -9.348 6.482 -4.747 1.00 0.00 C ATOM 841 O LYS A 54 -8.629 7.237 -5.375 1.00 0.00 O ATOM 842 CB LYS A 54 -11.639 5.753 -5.419 1.00 0.00 C ATOM 843 CG LYS A 54 -11.903 6.928 -6.367 1.00 0.00 C ATOM 844 CD LYS A 54 -11.933 8.236 -5.571 1.00 0.00 C ATOM 845 CE LYS A 54 -11.861 9.423 -6.533 1.00 0.00 C ATOM 846 NZ LYS A 54 -10.445 9.650 -6.939 1.00 0.00 N ATOM 0 H LYS A 54 -10.671 3.825 -4.097 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.822 5.306 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.241 4.893 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.936 6.018 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.127 6.973 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.851 6.784 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.845 8.291 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.096 8.269 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.476 9.230 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.261 10.317 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.141 10.594 -6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.838 8.928 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.366 9.587 -7.974 1.00 0.00 H new ATOM 860 N SER A 55 -9.468 6.572 -3.448 1.00 0.00 N ATOM 861 CA SER A 55 -8.717 7.615 -2.692 1.00 0.00 C ATOM 862 C SER A 55 -8.058 6.982 -1.466 1.00 0.00 C ATOM 863 O SER A 55 -8.182 5.795 -1.227 1.00 0.00 O ATOM 864 CB SER A 55 -9.682 8.712 -2.240 1.00 0.00 C ATOM 865 OG SER A 55 -10.964 8.144 -2.009 1.00 0.00 O ATOM 0 H SER A 55 -10.056 5.965 -2.877 1.00 0.00 H new ATOM 0 HA SER A 55 -7.950 8.047 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.312 9.186 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.748 9.490 -3.000 1.00 0.00 H new ATOM 0 HG SER A 55 -11.584 8.844 -1.717 1.00 0.00 H new ATOM 871 N GLY A 56 -7.360 7.769 -0.690 1.00 0.00 N ATOM 872 CA GLY A 56 -6.687 7.226 0.527 1.00 0.00 C ATOM 873 C GLY A 56 -7.740 6.701 1.508 1.00 0.00 C ATOM 874 O GLY A 56 -7.476 5.804 2.287 1.00 0.00 O ATOM 0 H GLY A 56 -7.227 8.768 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.003 6.424 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.090 8.004 1.002 1.00 0.00 H new ATOM 878 N ALA A 57 -8.928 7.252 1.473 1.00 0.00 N ATOM 879 CA ALA A 57 -10.004 6.789 2.402 1.00 0.00 C ATOM 880 C ALA A 57 -10.306 5.310 2.145 1.00 0.00 C ATOM 881 O ALA A 57 -10.428 4.525 3.067 1.00 0.00 O ATOM 882 CB ALA A 57 -11.270 7.615 2.162 1.00 0.00 C ATOM 0 H ALA A 57 -9.199 8.004 0.840 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.672 6.916 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.057 7.280 2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.058 8.668 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.598 7.486 1.131 1.00 0.00 H new ATOM 888 N GLU A 58 -10.424 4.927 0.899 1.00 0.00 N ATOM 889 CA GLU A 58 -10.717 3.499 0.571 1.00 0.00 C ATOM 890 C GLU A 58 -9.582 2.601 1.090 1.00 0.00 C ATOM 891 O GLU A 58 -9.764 1.412 1.274 1.00 0.00 O ATOM 892 CB GLU A 58 -10.847 3.342 -0.951 1.00 0.00 C ATOM 893 CG GLU A 58 -12.080 2.492 -1.280 1.00 0.00 C ATOM 894 CD GLU A 58 -11.780 1.592 -2.482 1.00 0.00 C ATOM 895 OE1 GLU A 58 -10.982 0.683 -2.330 1.00 0.00 O ATOM 896 OE2 GLU A 58 -12.354 1.830 -3.532 1.00 0.00 O ATOM 0 H GLU A 58 -10.330 5.544 0.092 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.651 3.203 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.933 4.322 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.951 2.872 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.355 1.884 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.931 3.137 -1.500 1.00 0.00 H new ATOM 903 N ALA A 59 -8.418 3.158 1.323 1.00 0.00 N ATOM 904 CA ALA A 59 -7.278 2.337 1.830 1.00 0.00 C ATOM 905 C ALA A 59 -7.320 2.287 3.361 1.00 0.00 C ATOM 906 O ALA A 59 -6.832 1.353 3.970 1.00 0.00 O ATOM 907 CB ALA A 59 -5.958 2.965 1.377 1.00 0.00 C ATOM 0 H ALA A 59 -8.210 4.147 1.183 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.356 1.325 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.125 2.367 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.926 2.999 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.882 3.977 1.774 1.00 0.00 H new ATOM 913 N LYS A 60 -7.895 3.286 3.985 1.00 0.00 N ATOM 914 CA LYS A 60 -7.967 3.303 5.477 1.00 0.00 C ATOM 915 C LYS A 60 -9.015 2.294 5.955 1.00 0.00 C ATOM 916 O LYS A 60 -8.821 1.608 6.939 1.00 0.00 O ATOM 917 CB LYS A 60 -8.357 4.704 5.950 1.00 0.00 C ATOM 918 CG LYS A 60 -8.195 4.791 7.469 1.00 0.00 C ATOM 919 CD LYS A 60 -8.787 6.109 7.972 1.00 0.00 C ATOM 920 CE LYS A 60 -8.424 6.301 9.445 1.00 0.00 C ATOM 921 NZ LYS A 60 -9.497 5.719 10.300 1.00 0.00 N ATOM 0 H LYS A 60 -8.318 4.091 3.523 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.994 3.035 5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.731 5.452 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.388 4.920 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.696 3.949 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.140 4.728 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.405 6.941 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.870 6.103 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.470 5.820 9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.303 7.362 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.251 5.849 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.398 6.198 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.591 4.704 10.096 1.00 0.00 H new ATOM 935 N LYS A 61 -10.126 2.205 5.265 1.00 0.00 N ATOM 936 CA LYS A 61 -11.197 1.245 5.675 1.00 0.00 C ATOM 937 C LYS A 61 -10.653 -0.189 5.653 1.00 0.00 C ATOM 938 O LYS A 61 -11.143 -1.057 6.351 1.00 0.00 O ATOM 939 CB LYS A 61 -12.383 1.359 4.709 1.00 0.00 C ATOM 940 CG LYS A 61 -11.926 1.045 3.280 1.00 0.00 C ATOM 941 CD LYS A 61 -13.115 1.170 2.323 1.00 0.00 C ATOM 942 CE LYS A 61 -12.998 0.114 1.222 1.00 0.00 C ATOM 943 NZ LYS A 61 -14.118 0.282 0.253 1.00 0.00 N ATOM 0 H LYS A 61 -10.337 2.757 4.434 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.525 1.486 6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.173 0.670 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.803 2.364 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.132 1.730 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.512 0.038 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.050 1.040 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.139 2.167 1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.041 0.212 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.026 -0.885 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.865 -0.165 -0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.976 -0.167 0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.296 1.295 0.100 1.00 0.00 H new ATOM 957 N LEU A 62 -9.649 -0.442 4.849 1.00 0.00 N ATOM 958 CA LEU A 62 -9.073 -1.818 4.768 1.00 0.00 C ATOM 959 C LEU A 62 -8.562 -2.251 6.158 1.00 0.00 C ATOM 960 O LEU A 62 -8.061 -1.430 6.902 1.00 0.00 O ATOM 961 CB LEU A 62 -7.905 -1.822 3.777 1.00 0.00 C ATOM 962 CG LEU A 62 -8.389 -1.366 2.397 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.194 -1.271 1.446 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.395 -2.378 1.844 1.00 0.00 C ATOM 0 H LEU A 62 -9.203 0.248 4.244 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.844 -2.512 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.114 -1.161 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.478 -2.822 3.710 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.867 -0.391 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.536 -0.947 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.475 -0.551 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.719 -2.248 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.738 -2.051 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.918 -3.354 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.247 -2.451 2.520 1.00 0.00 H new ATOM 976 N PRO A 63 -8.695 -3.527 6.477 1.00 0.00 N ATOM 977 CA PRO A 63 -8.244 -4.092 7.790 1.00 0.00 C ATOM 978 C PRO A 63 -6.731 -4.316 7.779 1.00 0.00 C ATOM 979 O PRO A 63 -6.223 -5.154 7.059 1.00 0.00 O ATOM 980 CB PRO A 63 -8.993 -5.412 7.894 1.00 0.00 C ATOM 981 CG PRO A 63 -9.336 -5.843 6.482 1.00 0.00 C ATOM 982 CD PRO A 63 -9.295 -4.596 5.595 1.00 0.00 C ATOM 0 HA PRO A 63 -8.447 -3.432 8.634 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.379 -6.165 8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.897 -5.296 8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.626 -6.590 6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.324 -6.303 6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.690 -4.762 4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.292 -4.317 5.255 1.00 0.00 H new ATOM 990 N GLY A 64 -6.013 -3.564 8.570 1.00 0.00 N ATOM 991 CA GLY A 64 -4.530 -3.712 8.612 1.00 0.00 C ATOM 992 C GLY A 64 -3.878 -2.379 8.239 1.00 0.00 C ATOM 993 O GLY A 64 -2.784 -2.073 8.674 1.00 0.00 O ATOM 0 H GLY A 64 -6.393 -2.850 9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.212 -4.019 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.211 -4.492 7.921 1.00 0.00 H new ATOM 997 N VAL A 65 -4.544 -1.584 7.439 1.00 0.00 N ATOM 998 CA VAL A 65 -3.969 -0.267 7.035 1.00 0.00 C ATOM 999 C VAL A 65 -4.394 0.802 8.043 1.00 0.00 C ATOM 1000 O VAL A 65 -5.520 0.820 8.502 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.482 0.112 5.645 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.767 1.377 5.166 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.203 -1.030 4.666 1.00 0.00 C ATOM 0 H VAL A 65 -5.463 -1.792 7.048 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.881 -0.337 7.012 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.556 0.295 5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.132 1.648 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.965 2.193 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.694 1.193 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.569 -0.758 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.130 -1.214 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.711 -1.933 5.006 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.498 1.690 8.391 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.839 2.762 9.371 1.00 0.00 C ATOM 1015 C GLY A 66 -3.839 4.119 8.665 1.00 0.00 C ATOM 1016 O GLY A 66 -4.334 4.253 7.562 1.00 0.00 O ATOM 0 H GLY A 66 -2.542 1.718 8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.818 2.569 9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.117 2.765 10.188 1.00 0.00 H new ATOM 1020 N THR A 67 -3.287 5.124 9.295 1.00 0.00 N ATOM 1021 CA THR A 67 -3.248 6.478 8.670 1.00 0.00 C ATOM 1022 C THR A 67 -1.873 6.713 8.039 1.00 0.00 C ATOM 1023 O THR A 67 -1.743 7.437 7.069 1.00 0.00 O ATOM 1024 CB THR A 67 -3.505 7.541 9.740 1.00 0.00 C ATOM 1025 OG1 THR A 67 -2.435 7.539 10.675 1.00 0.00 O ATOM 1026 CG2 THR A 67 -4.818 7.235 10.463 1.00 0.00 C ATOM 0 H THR A 67 -2.860 5.064 10.219 1.00 0.00 H new ATOM 0 HA THR A 67 -4.016 6.543 7.899 1.00 0.00 H new ATOM 0 HB THR A 67 -3.574 8.521 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.598 8.221 11.360 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.999 7.993 11.225 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.638 7.239 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.753 6.255 10.935 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.847 6.106 8.582 1.00 0.00 N ATOM 1035 CA LYS A 68 0.522 6.290 8.020 1.00 0.00 C ATOM 1036 C LYS A 68 0.587 5.681 6.618 1.00 0.00 C ATOM 1037 O LYS A 68 0.769 6.378 5.637 1.00 0.00 O ATOM 1038 CB LYS A 68 1.543 5.593 8.924 1.00 0.00 C ATOM 1039 CG LYS A 68 2.949 6.092 8.584 1.00 0.00 C ATOM 1040 CD LYS A 68 3.915 5.702 9.705 1.00 0.00 C ATOM 1041 CE LYS A 68 5.071 6.702 9.755 1.00 0.00 C ATOM 1042 NZ LYS A 68 6.115 6.207 10.696 1.00 0.00 N ATOM 0 H LYS A 68 -0.901 5.490 9.393 1.00 0.00 H new ATOM 0 HA LYS A 68 0.750 7.355 7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.317 5.796 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.486 4.513 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.280 5.662 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.941 7.175 8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.392 5.687 10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.298 4.696 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.496 6.833 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.708 7.678 10.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.902 6.887 10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.705 6.103 11.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.468 5.285 10.369 1.00 0.00 H new ATOM 1056 N ILE A 69 0.440 4.384 6.519 1.00 0.00 N ATOM 1057 CA ILE A 69 0.494 3.715 5.187 1.00 0.00 C ATOM 1058 C ILE A 69 -0.637 4.237 4.298 1.00 0.00 C ATOM 1059 O ILE A 69 -0.443 4.500 3.126 1.00 0.00 O ATOM 1060 CB ILE A 69 0.344 2.205 5.386 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.457 1.707 6.320 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.432 1.481 4.034 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.836 1.940 5.687 1.00 0.00 C ATOM 0 H ILE A 69 0.284 3.758 7.309 1.00 0.00 H new ATOM 0 HA ILE A 69 1.447 3.930 4.704 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.629 1.994 5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.397 2.227 7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.319 0.645 6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.324 0.407 4.188 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.364 1.835 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.399 1.686 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.612 1.581 6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.899 1.399 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.978 3.005 5.505 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.816 4.383 4.845 1.00 0.00 N ATOM 1076 CA ALA A 70 -2.970 4.884 4.035 1.00 0.00 C ATOM 1077 C ALA A 70 -2.632 6.260 3.450 1.00 0.00 C ATOM 1078 O ALA A 70 -3.029 6.589 2.349 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.209 4.996 4.922 1.00 0.00 C ATOM 0 H ALA A 70 -2.031 4.177 5.820 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.169 4.185 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.048 5.361 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.453 4.016 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.011 5.691 5.738 1.00 0.00 H new ATOM 1085 N GLU A 71 -1.895 7.060 4.181 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.517 8.409 3.678 1.00 0.00 C ATOM 1087 C GLU A 71 -0.688 8.260 2.400 1.00 0.00 C ATOM 1088 O GLU A 71 -0.889 8.967 1.430 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.692 9.139 4.740 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.631 9.834 5.728 1.00 0.00 C ATOM 1091 CD GLU A 71 -2.008 11.215 5.189 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -2.175 11.334 3.986 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -2.124 12.130 5.988 1.00 0.00 O ATOM 0 H GLU A 71 -1.539 6.831 5.109 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.418 8.983 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.051 8.432 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.038 9.871 4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.528 9.233 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.147 9.931 6.700 1.00 0.00 H new ATOM 1100 N LYS A 72 0.236 7.332 2.394 1.00 0.00 N ATOM 1101 CA LYS A 72 1.080 7.115 1.182 1.00 0.00 C ATOM 1102 C LYS A 72 0.187 6.692 0.012 1.00 0.00 C ATOM 1103 O LYS A 72 0.493 6.948 -1.136 1.00 0.00 O ATOM 1104 CB LYS A 72 2.108 6.016 1.465 1.00 0.00 C ATOM 1105 CG LYS A 72 3.426 6.650 1.913 1.00 0.00 C ATOM 1106 CD LYS A 72 4.596 5.797 1.418 1.00 0.00 C ATOM 1107 CE LYS A 72 5.094 6.340 0.077 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.950 7.537 0.312 1.00 0.00 N ATOM 0 H LYS A 72 0.442 6.714 3.179 1.00 0.00 H new ATOM 0 HA LYS A 72 1.600 8.039 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.734 5.345 2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.268 5.414 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.508 7.663 1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.453 6.728 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.404 5.810 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.282 4.759 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.661 5.573 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.248 6.604 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.914 8.158 -0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.602 8.054 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.931 7.235 0.477 1.00 0.00 H new ATOM 1122 N ILE A 73 -0.922 6.051 0.301 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.846 5.617 -0.787 1.00 0.00 C ATOM 1124 C ILE A 73 -2.386 6.856 -1.505 1.00 0.00 C ATOM 1125 O ILE A 73 -2.433 6.910 -2.718 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.011 4.821 -0.185 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.470 3.643 0.644 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.907 4.289 -1.308 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.632 2.707 -0.238 1.00 0.00 C ATOM 0 H ILE A 73 -1.224 5.811 1.245 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.311 4.985 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.592 5.477 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.862 4.018 1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.299 3.091 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.734 3.724 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.301 5.125 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.325 3.639 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.257 1.879 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.251 2.317 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.792 3.259 -0.659 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.783 7.859 -0.759 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.313 9.110 -1.383 1.00 0.00 C ATOM 1143 C ASP A 74 -2.269 9.682 -2.347 1.00 0.00 C ATOM 1144 O ASP A 74 -2.591 10.125 -3.433 1.00 0.00 O ATOM 1145 CB ASP A 74 -3.615 10.136 -0.288 1.00 0.00 C ATOM 1146 CG ASP A 74 -4.656 11.135 -0.795 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.578 10.709 -1.470 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -4.515 12.310 -0.498 1.00 0.00 O ATOM 0 H ASP A 74 -2.762 7.864 0.261 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.227 8.884 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.985 9.632 0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.702 10.659 -0.004 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.017 9.658 -1.957 1.00 0.00 N ATOM 1154 CA GLU A 75 0.059 10.180 -2.851 1.00 0.00 C ATOM 1155 C GLU A 75 0.111 9.329 -4.125 1.00 0.00 C ATOM 1156 O GLU A 75 0.504 9.796 -5.178 1.00 0.00 O ATOM 1157 CB GLU A 75 1.407 10.102 -2.129 1.00 0.00 C ATOM 1158 CG GLU A 75 2.303 11.249 -2.599 1.00 0.00 C ATOM 1159 CD GLU A 75 3.763 10.926 -2.272 1.00 0.00 C ATOM 1160 OE1 GLU A 75 4.131 9.767 -2.379 1.00 0.00 O ATOM 1161 OE2 GLU A 75 4.487 11.841 -1.919 1.00 0.00 O ATOM 0 H GLU A 75 -0.696 9.299 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.151 11.218 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.258 10.161 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.886 9.145 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.185 11.400 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.007 12.178 -2.112 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.289 8.085 -4.033 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.278 7.193 -5.229 1.00 0.00 C ATOM 1170 C PHE A 76 -1.383 7.620 -6.190 1.00 0.00 C ATOM 1171 O PHE A 76 -1.155 7.824 -7.367 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.535 5.748 -4.777 1.00 0.00 C ATOM 1173 CG PHE A 76 0.713 4.927 -4.946 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.019 4.378 -6.195 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.560 4.717 -3.857 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.180 3.611 -6.354 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.722 3.952 -4.012 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.032 3.398 -5.262 1.00 0.00 C ATOM 0 H PHE A 76 -0.624 7.648 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 76 0.688 7.261 -5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.850 5.735 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.347 5.315 -5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.361 4.545 -7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.319 5.145 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.418 3.184 -7.317 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.379 3.789 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.928 2.807 -5.383 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.578 7.737 -5.688 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.723 8.131 -6.549 1.00 0.00 C ATOM 1190 C LEU A 77 -3.598 9.606 -6.942 1.00 0.00 C ATOM 1191 O LEU A 77 -4.094 10.021 -7.973 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.029 7.911 -5.775 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.389 6.414 -5.697 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.430 5.791 -7.096 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.353 5.679 -4.843 1.00 0.00 C ATOM 0 H LEU A 77 -2.812 7.575 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.724 7.524 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.930 8.316 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.838 8.457 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.376 6.320 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.686 4.734 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.180 6.302 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.453 5.893 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.610 4.621 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.366 5.790 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.344 6.101 -3.838 1.00 0.00 H new ATOM 1207 N ALA A 78 -2.939 10.401 -6.133 1.00 0.00 N ATOM 1208 CA ALA A 78 -2.782 11.849 -6.464 1.00 0.00 C ATOM 1209 C ALA A 78 -2.012 11.993 -7.784 1.00 0.00 C ATOM 1210 O ALA A 78 -2.597 12.212 -8.828 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.017 12.551 -5.337 1.00 0.00 C ATOM 0 H ALA A 78 -2.504 10.108 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.765 12.307 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.902 13.608 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.571 12.450 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.033 12.095 -5.226 1.00 0.00 H new ATOM 1217 N THR A 79 -0.708 11.867 -7.745 1.00 0.00 N ATOM 1218 CA THR A 79 0.101 11.990 -8.994 1.00 0.00 C ATOM 1219 C THR A 79 0.818 10.665 -9.264 1.00 0.00 C ATOM 1220 O THR A 79 0.533 9.981 -10.228 1.00 0.00 O ATOM 1221 CB THR A 79 1.135 13.107 -8.827 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.639 14.077 -7.917 1.00 0.00 O ATOM 1223 CG2 THR A 79 1.403 13.764 -10.182 1.00 0.00 C ATOM 0 H THR A 79 -0.169 11.684 -6.899 1.00 0.00 H new ATOM 0 HA THR A 79 -0.555 12.228 -9.832 1.00 0.00 H new ATOM 0 HB THR A 79 2.064 12.688 -8.440 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.301 14.792 -7.808 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.139 14.559 -10.062 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.785 13.018 -10.879 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.476 14.184 -10.572 1.00 0.00 H new