USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 THR OG1 : rot 180:sc= -0.321 USER MOD Set 1.2: A 90 TYR OH : rot -8:sc= -0.559 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00435 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.463 USER MOD Single : A 21 MET CE :methyl 136:sc= -0.255 (180deg=-1.31) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 30 ASN : amide:sc= -0.828 K(o=-0.83,f=-0.00029) USER MOD Single : A 31 THR OG1 : rot 97:sc= -3.09! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.07) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.19) USER MOD Single : A 59 THR OG1 : rot 77:sc= 0.013 USER MOD Single : A 60 TYR OH : rot 28:sc= 0.00347 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 1.47 K(o=1.5,f=-0.2) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 81:sc= 0.67 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.13) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= -0.0329 (180deg=-0.249) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.316 K(o=-0.32,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 11 4.680 12.526 -9.137 1.00 0.00 N ATOM 175 CA ARG A 11 3.245 12.307 -9.023 1.00 0.00 C ATOM 176 C ARG A 11 2.931 10.850 -9.322 1.00 0.00 C ATOM 177 O ARG A 11 2.024 10.258 -8.734 1.00 0.00 O ATOM 178 CB ARG A 11 2.460 13.215 -9.981 1.00 0.00 C ATOM 179 CG ARG A 11 2.406 14.678 -9.560 1.00 0.00 C ATOM 180 CD ARG A 11 3.746 15.376 -9.725 1.00 0.00 C ATOM 181 NE ARG A 11 3.684 16.771 -9.295 1.00 0.00 N ATOM 182 CZ ARG A 11 4.438 17.744 -9.803 1.00 0.00 C ATOM 183 NH1 ARG A 11 5.356 17.471 -10.724 1.00 0.00 N ATOM 184 NH2 ARG A 11 4.285 18.988 -9.370 1.00 0.00 N ATOM 0 HA ARG A 11 2.942 12.553 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.909 13.151 -10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.441 12.837 -10.068 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.653 15.197 -10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.091 14.743 -8.518 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.504 14.850 -9.145 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.054 15.330 -10.770 1.00 0.00 H new ATOM 0 HE ARG A 11 3.021 17.015 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.486 16.512 -11.046 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.930 18.221 -11.109 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.592 19.196 -8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.860 19.737 -9.756 1.00 0.00 H new ATOM 198 N SER A 12 3.692 10.285 -10.244 1.00 0.00 N ATOM 199 CA SER A 12 3.569 8.886 -10.593 1.00 0.00 C ATOM 200 C SER A 12 4.810 8.117 -10.148 1.00 0.00 C ATOM 201 O SER A 12 5.936 8.451 -10.522 1.00 0.00 O ATOM 202 CB SER A 12 3.347 8.746 -12.104 1.00 0.00 C ATOM 203 OG SER A 12 4.094 9.718 -12.821 1.00 0.00 O ATOM 0 H SER A 12 4.410 10.785 -10.769 1.00 0.00 H new ATOM 0 HA SER A 12 2.708 8.461 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.639 7.747 -12.427 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.287 8.857 -12.331 1.00 0.00 H new ATOM 0 HG SER A 12 3.937 9.607 -13.782 1.00 0.00 H new ATOM 209 N VAL A 13 4.598 7.092 -9.338 1.00 0.00 N ATOM 210 CA VAL A 13 5.688 6.287 -8.814 1.00 0.00 C ATOM 211 C VAL A 13 5.878 5.034 -9.655 1.00 0.00 C ATOM 212 O VAL A 13 4.944 4.559 -10.297 1.00 0.00 O ATOM 213 CB VAL A 13 5.442 5.883 -7.345 1.00 0.00 C ATOM 214 CG1 VAL A 13 5.583 7.085 -6.429 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.065 5.259 -7.184 1.00 0.00 C ATOM 0 H VAL A 13 3.672 6.797 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 13 6.590 6.898 -8.858 1.00 0.00 H new ATOM 0 HB VAL A 13 6.193 5.144 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.406 6.779 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.589 7.494 -6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.855 7.846 -6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.911 4.981 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.302 5.978 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.993 4.370 -7.811 1.00 0.00 H new ATOM 225 N THR A 14 7.088 4.507 -9.657 1.00 0.00 N ATOM 226 CA THR A 14 7.390 3.308 -10.416 1.00 0.00 C ATOM 227 C THR A 14 7.455 2.094 -9.496 1.00 0.00 C ATOM 228 O THR A 14 8.383 1.957 -8.690 1.00 0.00 O ATOM 229 CB THR A 14 8.721 3.457 -11.175 1.00 0.00 C ATOM 230 OG1 THR A 14 8.716 4.691 -11.904 1.00 0.00 O ATOM 231 CG2 THR A 14 8.933 2.297 -12.140 1.00 0.00 C ATOM 0 H THR A 14 7.879 4.891 -9.140 1.00 0.00 H new ATOM 0 HA THR A 14 6.590 3.163 -11.141 1.00 0.00 H new ATOM 0 HB THR A 14 9.535 3.454 -10.450 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.563 4.789 -12.387 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.880 2.427 -12.663 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.951 1.360 -11.584 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.119 2.273 -12.864 1.00 0.00 H new ATOM 239 N LEU A 15 6.453 1.232 -9.606 1.00 0.00 N ATOM 240 CA LEU A 15 6.386 0.021 -8.803 1.00 0.00 C ATOM 241 C LEU A 15 7.424 -0.988 -9.288 1.00 0.00 C ATOM 242 O LEU A 15 7.908 -0.885 -10.417 1.00 0.00 O ATOM 243 CB LEU A 15 4.979 -0.587 -8.879 1.00 0.00 C ATOM 244 CG LEU A 15 3.867 0.251 -8.244 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.521 -0.429 -8.427 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.143 0.475 -6.766 1.00 0.00 C ATOM 0 H LEU A 15 5.670 1.352 -10.249 1.00 0.00 H new ATOM 0 HA LEU A 15 6.602 0.275 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.730 -0.756 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.997 -1.563 -8.395 1.00 0.00 H new ATOM 0 HG LEU A 15 3.842 1.220 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.741 0.180 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.314 -0.545 -9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.541 -1.410 -7.952 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.341 1.073 -6.333 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.195 -0.487 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.091 1.000 -6.648 1.00 0.00 H new ATOM 258 N PRO A 16 7.770 -1.986 -8.450 1.00 0.00 N ATOM 259 CA PRO A 16 8.773 -3.013 -8.790 1.00 0.00 C ATOM 260 C PRO A 16 8.325 -3.940 -9.926 1.00 0.00 C ATOM 261 O PRO A 16 8.944 -4.974 -10.174 1.00 0.00 O ATOM 262 CB PRO A 16 8.935 -3.813 -7.488 1.00 0.00 C ATOM 263 CG PRO A 16 8.331 -2.964 -6.422 1.00 0.00 C ATOM 264 CD PRO A 16 7.241 -2.184 -7.093 1.00 0.00 C ATOM 0 HA PRO A 16 9.696 -2.556 -9.148 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.431 -4.777 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.986 -4.016 -7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.933 -3.576 -5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.075 -2.299 -5.983 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.299 -2.732 -7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.054 -1.236 -6.590 1.00 0.00 H new ATOM 272 N ASP A 17 7.243 -3.576 -10.601 1.00 0.00 N ATOM 273 CA ASP A 17 6.788 -4.305 -11.777 1.00 0.00 C ATOM 274 C ASP A 17 7.244 -3.577 -13.033 1.00 0.00 C ATOM 275 O ASP A 17 7.089 -4.071 -14.152 1.00 0.00 O ATOM 276 CB ASP A 17 5.260 -4.424 -11.812 1.00 0.00 C ATOM 277 CG ASP A 17 4.659 -4.976 -10.536 1.00 0.00 C ATOM 278 OD1 ASP A 17 5.100 -6.045 -10.069 1.00 0.00 O ATOM 279 OD2 ASP A 17 3.723 -4.344 -10.001 1.00 0.00 O ATOM 0 H ASP A 17 6.661 -2.776 -10.352 1.00 0.00 H new ATOM 0 HA ASP A 17 7.215 -5.307 -11.732 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.833 -3.440 -12.008 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.974 -5.067 -12.645 1.00 0.00 H new ATOM 284 N GLY A 18 7.797 -2.387 -12.838 1.00 0.00 N ATOM 285 CA GLY A 18 8.164 -1.546 -13.957 1.00 0.00 C ATOM 286 C GLY A 18 6.980 -0.734 -14.443 1.00 0.00 C ATOM 287 O GLY A 18 6.996 -0.180 -15.544 1.00 0.00 O ATOM 0 H GLY A 18 7.998 -1.989 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.972 -0.876 -13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.543 -2.164 -14.771 1.00 0.00 H new ATOM 291 N SER A 19 5.949 -0.674 -13.611 1.00 0.00 N ATOM 292 CA SER A 19 4.718 0.017 -13.947 1.00 0.00 C ATOM 293 C SER A 19 4.629 1.349 -13.213 1.00 0.00 C ATOM 294 O SER A 19 5.177 1.506 -12.119 1.00 0.00 O ATOM 295 CB SER A 19 3.521 -0.870 -13.592 1.00 0.00 C ATOM 296 OG SER A 19 3.671 -1.426 -12.295 1.00 0.00 O ATOM 0 H SER A 19 5.945 -1.103 -12.686 1.00 0.00 H new ATOM 0 HA SER A 19 4.709 0.222 -15.018 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.603 -0.284 -13.637 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.425 -1.670 -14.326 1.00 0.00 H new ATOM 0 HG SER A 19 2.895 -1.987 -12.088 1.00 0.00 H new ATOM 302 N ILE A 20 3.950 2.305 -13.821 1.00 0.00 N ATOM 303 CA ILE A 20 3.771 3.613 -13.213 1.00 0.00 C ATOM 304 C ILE A 20 2.395 3.735 -12.571 1.00 0.00 C ATOM 305 O ILE A 20 1.374 3.406 -13.181 1.00 0.00 O ATOM 306 CB ILE A 20 3.975 4.756 -14.231 1.00 0.00 C ATOM 307 CG1 ILE A 20 3.142 4.507 -15.496 1.00 0.00 C ATOM 308 CG2 ILE A 20 5.454 4.897 -14.565 1.00 0.00 C ATOM 309 CD1 ILE A 20 3.263 5.600 -16.533 1.00 0.00 C ATOM 0 H ILE A 20 3.513 2.201 -14.737 1.00 0.00 H new ATOM 0 HA ILE A 20 4.534 3.707 -12.440 1.00 0.00 H new ATOM 0 HB ILE A 20 3.633 5.691 -13.787 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.450 3.561 -15.942 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.094 4.401 -15.214 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.589 5.705 -15.284 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.012 5.122 -13.656 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.821 3.965 -14.994 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.646 5.352 -17.397 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.927 6.545 -16.106 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.303 5.692 -16.845 1.00 0.00 H new ATOM 321 N MET A 21 2.384 4.179 -11.328 1.00 0.00 N ATOM 322 CA MET A 21 1.147 4.444 -10.613 1.00 0.00 C ATOM 323 C MET A 21 1.156 5.862 -10.072 1.00 0.00 C ATOM 324 O MET A 21 2.027 6.232 -9.292 1.00 0.00 O ATOM 325 CB MET A 21 0.944 3.438 -9.473 1.00 0.00 C ATOM 326 CG MET A 21 -0.120 3.857 -8.468 1.00 0.00 C ATOM 327 SD MET A 21 -0.805 2.462 -7.561 1.00 0.00 S ATOM 328 CE MET A 21 -1.875 1.773 -8.817 1.00 0.00 C ATOM 0 H MET A 21 3.228 4.366 -10.786 1.00 0.00 H new ATOM 0 HA MET A 21 0.316 4.334 -11.310 1.00 0.00 H new ATOM 0 HB2 MET A 21 0.670 2.472 -9.897 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.890 3.299 -8.950 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.312 4.567 -7.763 1.00 0.00 H new ATOM 0 HG3 MET A 21 -0.924 4.375 -8.991 1.00 0.00 H new ATOM 0 HE1 MET A 21 -1.766 0.689 -8.833 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.910 2.030 -8.594 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.602 2.180 -9.791 1.00 0.00 H new ATOM 338 N THR A 22 0.201 6.655 -10.504 1.00 0.00 N ATOM 339 CA THR A 22 0.109 8.029 -10.066 1.00 0.00 C ATOM 340 C THR A 22 -0.752 8.105 -8.815 1.00 0.00 C ATOM 341 O THR A 22 -1.604 7.243 -8.591 1.00 0.00 O ATOM 342 CB THR A 22 -0.503 8.908 -11.171 1.00 0.00 C ATOM 343 OG1 THR A 22 0.057 8.547 -12.443 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.234 10.377 -10.905 1.00 0.00 C ATOM 0 H THR A 22 -0.525 6.370 -11.161 1.00 0.00 H new ATOM 0 HA THR A 22 1.111 8.396 -9.845 1.00 0.00 H new ATOM 0 HB THR A 22 -1.581 8.745 -11.179 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.336 9.107 -13.144 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.676 10.978 -11.700 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.674 10.660 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.842 10.550 -10.875 1.00 0.00 H new ATOM 352 N ARG A 23 -0.544 9.131 -8.003 1.00 0.00 N ATOM 353 CA ARG A 23 -1.320 9.294 -6.780 1.00 0.00 C ATOM 354 C ARG A 23 -2.771 9.648 -7.109 1.00 0.00 C ATOM 355 O ARG A 23 -3.632 9.664 -6.236 1.00 0.00 O ATOM 356 CB ARG A 23 -0.691 10.355 -5.866 1.00 0.00 C ATOM 357 CG ARG A 23 -0.811 11.790 -6.367 1.00 0.00 C ATOM 358 CD ARG A 23 -0.146 12.758 -5.397 1.00 0.00 C ATOM 359 NE ARG A 23 -0.454 14.157 -5.700 1.00 0.00 N ATOM 360 CZ ARG A 23 -0.276 15.160 -4.837 1.00 0.00 C ATOM 361 NH1 ARG A 23 0.304 14.937 -3.663 1.00 0.00 N ATOM 362 NH2 ARG A 23 -0.651 16.395 -5.158 1.00 0.00 N ATOM 0 H ARG A 23 0.151 9.860 -8.166 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.312 8.345 -6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.158 10.289 -4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.365 10.119 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.348 11.877 -7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.862 12.052 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.470 12.530 -4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.934 12.613 -5.427 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.826 14.378 -6.624 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.615 13.997 -3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.438 15.706 -3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.077 16.579 -6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.513 17.158 -4.496 1.00 0.00 H new ATOM 376 N ALA A 24 -3.028 9.911 -8.386 1.00 0.00 N ATOM 377 CA ALA A 24 -4.372 10.194 -8.862 1.00 0.00 C ATOM 378 C ALA A 24 -5.082 8.908 -9.275 1.00 0.00 C ATOM 379 O ALA A 24 -6.287 8.908 -9.528 1.00 0.00 O ATOM 380 CB ALA A 24 -4.323 11.175 -10.024 1.00 0.00 C ATOM 0 H ALA A 24 -2.314 9.933 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.938 10.646 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.336 11.379 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.858 12.105 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.740 10.745 -10.838 1.00 0.00 H new ATOM 386 N ASP A 25 -4.329 7.809 -9.347 1.00 0.00 N ATOM 387 CA ASP A 25 -4.898 6.509 -9.693 1.00 0.00 C ATOM 388 C ASP A 25 -5.389 5.812 -8.437 1.00 0.00 C ATOM 389 O ASP A 25 -6.130 4.827 -8.498 1.00 0.00 O ATOM 390 CB ASP A 25 -3.863 5.617 -10.395 1.00 0.00 C ATOM 391 CG ASP A 25 -3.352 6.201 -11.697 1.00 0.00 C ATOM 392 OD1 ASP A 25 -4.174 6.530 -12.573 1.00 0.00 O ATOM 393 OD2 ASP A 25 -2.118 6.319 -11.853 1.00 0.00 O ATOM 0 H ASP A 25 -3.325 7.795 -9.170 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.730 6.678 -10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.020 5.452 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.308 4.642 -10.592 1.00 0.00 H new ATOM 398 N LEU A 26 -4.975 6.343 -7.299 1.00 0.00 N ATOM 399 CA LEU A 26 -5.277 5.749 -6.009 1.00 0.00 C ATOM 400 C LEU A 26 -6.631 6.209 -5.487 1.00 0.00 C ATOM 401 O LEU A 26 -7.079 7.314 -5.797 1.00 0.00 O ATOM 402 CB LEU A 26 -4.189 6.125 -4.997 1.00 0.00 C ATOM 403 CG LEU A 26 -2.792 5.585 -5.303 1.00 0.00 C ATOM 404 CD1 LEU A 26 -1.774 6.148 -4.325 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.786 4.067 -5.246 1.00 0.00 C ATOM 0 H LEU A 26 -4.421 7.197 -7.244 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.309 4.667 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.134 7.212 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.492 5.765 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.518 5.900 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.786 5.752 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.757 7.235 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.048 5.862 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.784 3.699 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.082 3.739 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.487 3.673 -5.981 1.00 0.00 H new ATOM 417 N PRO A 27 -7.316 5.332 -4.734 1.00 0.00 N ATOM 418 CA PRO A 27 -8.480 5.707 -3.918 1.00 0.00 C ATOM 419 C PRO A 27 -8.191 6.961 -3.091 1.00 0.00 C ATOM 420 O PRO A 27 -7.387 6.915 -2.161 1.00 0.00 O ATOM 421 CB PRO A 27 -8.635 4.489 -3.003 1.00 0.00 C ATOM 422 CG PRO A 27 -8.165 3.349 -3.836 1.00 0.00 C ATOM 423 CD PRO A 27 -7.018 3.889 -4.638 1.00 0.00 C ATOM 0 HA PRO A 27 -9.367 5.940 -4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.039 4.593 -2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.670 4.354 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.850 2.511 -3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.960 2.982 -4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.063 3.708 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.962 3.424 -5.622 1.00 0.00 H new ATOM 431 N PRO A 28 -8.819 8.100 -3.430 1.00 0.00 N ATOM 432 CA PRO A 28 -8.531 9.388 -2.781 1.00 0.00 C ATOM 433 C PRO A 28 -8.770 9.347 -1.276 1.00 0.00 C ATOM 434 O PRO A 28 -8.028 9.944 -0.494 1.00 0.00 O ATOM 435 CB PRO A 28 -9.510 10.358 -3.451 1.00 0.00 C ATOM 436 CG PRO A 28 -9.875 9.704 -4.740 1.00 0.00 C ATOM 437 CD PRO A 28 -9.849 8.226 -4.471 1.00 0.00 C ATOM 0 HA PRO A 28 -7.485 9.672 -2.896 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.390 10.524 -2.829 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.049 11.332 -3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.862 10.023 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.170 9.971 -5.527 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.817 7.861 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.592 7.657 -5.365 1.00 0.00 H new ATOM 445 N ALA A 29 -9.821 8.639 -0.895 1.00 0.00 N ATOM 446 CA ALA A 29 -10.182 8.439 0.500 1.00 0.00 C ATOM 447 C ALA A 29 -11.384 7.524 0.573 1.00 0.00 C ATOM 448 O ALA A 29 -11.430 6.581 1.366 1.00 0.00 O ATOM 449 CB ALA A 29 -10.501 9.759 1.189 1.00 0.00 C ATOM 0 H ALA A 29 -10.454 8.182 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.332 7.990 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.766 9.572 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.628 10.411 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.337 10.241 0.682 1.00 0.00 H new ATOM 455 N ASN A 30 -12.351 7.801 -0.283 1.00 0.00 N ATOM 456 CA ASN A 30 -13.574 7.033 -0.320 1.00 0.00 C ATOM 457 C ASN A 30 -13.871 6.587 -1.738 1.00 0.00 C ATOM 458 O ASN A 30 -14.527 7.294 -2.504 1.00 0.00 O ATOM 459 CB ASN A 30 -14.744 7.852 0.229 1.00 0.00 C ATOM 460 CG ASN A 30 -16.032 7.054 0.315 1.00 0.00 C ATOM 461 OD1 ASN A 30 -17.118 7.587 0.090 1.00 0.00 O ATOM 462 ND2 ASN A 30 -15.925 5.781 0.665 1.00 0.00 N ATOM 0 H ASN A 30 -12.308 8.558 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.444 6.152 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.487 8.225 1.220 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.903 8.722 -0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.762 5.205 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.006 5.377 0.843 1.00 0.00 H new ATOM 469 N THR A 31 -13.319 5.448 -2.105 1.00 0.00 N ATOM 470 CA THR A 31 -13.692 4.793 -3.343 1.00 0.00 C ATOM 471 C THR A 31 -15.140 4.323 -3.214 1.00 0.00 C ATOM 472 O THR A 31 -15.470 3.624 -2.257 1.00 0.00 O ATOM 473 CB THR A 31 -12.790 3.584 -3.620 1.00 0.00 C ATOM 474 OG1 THR A 31 -11.436 3.936 -3.350 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.909 3.129 -5.066 1.00 0.00 C ATOM 0 H THR A 31 -12.609 4.956 -1.563 1.00 0.00 H new ATOM 0 HA THR A 31 -13.581 5.495 -4.169 1.00 0.00 H new ATOM 0 HB THR A 31 -13.106 2.765 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.194 3.638 -2.448 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.258 2.271 -5.232 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.941 2.848 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.613 3.942 -5.729 1.00 0.00 H new ATOM 483 N ARG A 32 -16.009 4.707 -4.140 1.00 0.00 N ATOM 484 CA ARG A 32 -17.426 4.385 -4.000 1.00 0.00 C ATOM 485 C ARG A 32 -17.668 2.904 -4.271 1.00 0.00 C ATOM 486 O ARG A 32 -18.630 2.321 -3.769 1.00 0.00 O ATOM 487 CB ARG A 32 -18.277 5.245 -4.934 1.00 0.00 C ATOM 488 CG ARG A 32 -19.739 5.314 -4.522 1.00 0.00 C ATOM 489 CD ARG A 32 -20.543 6.189 -5.465 1.00 0.00 C ATOM 490 NE ARG A 32 -20.724 5.564 -6.773 1.00 0.00 N ATOM 491 CZ ARG A 32 -20.267 6.076 -7.913 1.00 0.00 C ATOM 492 NH1 ARG A 32 -19.568 7.205 -7.911 1.00 0.00 N ATOM 493 NH2 ARG A 32 -20.506 5.448 -9.057 1.00 0.00 N ATOM 0 H ARG A 32 -15.766 5.231 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.722 4.603 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.867 6.254 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.210 4.846 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -20.162 4.309 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -19.814 5.706 -3.508 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -21.518 6.396 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -20.039 7.148 -5.588 1.00 0.00 H new ATOM 0 HE ARG A 32 -21.232 4.681 -6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.378 7.686 -7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.221 7.591 -8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.038 4.577 -9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.158 5.836 -9.934 1.00 0.00 H new ATOM 507 N ARG A 33 -16.785 2.311 -5.063 1.00 0.00 N ATOM 508 CA ARG A 33 -16.833 0.884 -5.341 1.00 0.00 C ATOM 509 C ARG A 33 -15.432 0.287 -5.245 1.00 0.00 C ATOM 510 O ARG A 33 -14.584 0.520 -6.111 1.00 0.00 O ATOM 511 CB ARG A 33 -17.433 0.625 -6.727 1.00 0.00 C ATOM 512 CG ARG A 33 -17.391 -0.834 -7.157 1.00 0.00 C ATOM 513 CD ARG A 33 -18.052 -1.028 -8.511 1.00 0.00 C ATOM 514 NE ARG A 33 -17.953 -2.407 -8.991 1.00 0.00 N ATOM 515 CZ ARG A 33 -19.001 -3.152 -9.339 1.00 0.00 C ATOM 516 NH1 ARG A 33 -20.237 -2.709 -9.143 1.00 0.00 N ATOM 517 NH2 ARG A 33 -18.810 -4.361 -9.847 1.00 0.00 N ATOM 0 H ARG A 33 -16.021 2.802 -5.527 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.471 0.404 -4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -18.469 0.965 -6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.896 1.225 -7.462 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.356 -1.172 -7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.895 -1.450 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.102 -0.745 -8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -17.589 -0.360 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.025 -2.823 -9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -20.390 -1.792 -8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -21.034 -3.286 -9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.863 -4.718 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.610 -4.934 -10.114 1.00 0.00 H new ATOM 531 N TRP A 34 -15.189 -0.458 -4.182 1.00 0.00 N ATOM 532 CA TRP A 34 -13.884 -1.058 -3.950 1.00 0.00 C ATOM 533 C TRP A 34 -13.778 -2.421 -4.625 1.00 0.00 C ATOM 534 O TRP A 34 -14.678 -3.253 -4.521 1.00 0.00 O ATOM 535 CB TRP A 34 -13.621 -1.231 -2.450 1.00 0.00 C ATOM 536 CG TRP A 34 -13.362 0.048 -1.712 1.00 0.00 C ATOM 537 CD1 TRP A 34 -14.289 0.897 -1.181 1.00 0.00 C ATOM 538 CD2 TRP A 34 -12.081 0.610 -1.408 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.660 1.953 -0.566 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.306 1.797 -0.688 1.00 0.00 C ATOM 541 CE3 TRP A 34 -10.765 0.223 -1.669 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.266 2.602 -0.231 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -9.733 1.022 -1.215 1.00 0.00 C ATOM 544 CH2 TRP A 34 -9.988 2.199 -0.499 1.00 0.00 C ATOM 0 H TRP A 34 -15.881 -0.664 -3.461 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.141 -0.384 -4.377 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.479 -1.729 -1.999 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -12.764 -1.892 -2.318 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.359 0.759 -1.236 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.127 2.728 -0.095 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.557 -0.685 -2.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.462 3.512 0.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.712 0.734 -1.416 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.159 2.799 -0.153 1.00 0.00 H new ATOM 555 N VAL A 35 -12.679 -2.637 -5.328 1.00 0.00 N ATOM 556 CA VAL A 35 -12.350 -3.956 -5.851 1.00 0.00 C ATOM 557 C VAL A 35 -11.017 -4.396 -5.257 1.00 0.00 C ATOM 558 O VAL A 35 -10.232 -3.552 -4.813 1.00 0.00 O ATOM 559 CB VAL A 35 -12.285 -3.978 -7.400 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.587 -3.470 -8.001 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.112 -3.164 -7.916 1.00 0.00 C ATOM 0 H VAL A 35 -11.996 -1.914 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.142 -4.647 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.139 -5.013 -7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.519 -3.494 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.411 -4.105 -7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.765 -2.447 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.095 -3.200 -9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.215 -2.129 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.182 -3.577 -7.525 1.00 0.00 H new ATOM 571 N ALA A 36 -10.768 -5.702 -5.226 1.00 0.00 N ATOM 572 CA ALA A 36 -9.555 -6.240 -4.608 1.00 0.00 C ATOM 573 C ALA A 36 -8.294 -5.637 -5.220 1.00 0.00 C ATOM 574 O ALA A 36 -7.385 -5.226 -4.498 1.00 0.00 O ATOM 575 CB ALA A 36 -9.528 -7.756 -4.719 1.00 0.00 C ATOM 0 H ALA A 36 -11.388 -6.409 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.573 -5.964 -3.554 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.619 -8.139 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.398 -8.173 -4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.547 -8.044 -5.770 1.00 0.00 H new ATOM 581 N SER A 37 -8.255 -5.562 -6.546 1.00 0.00 N ATOM 582 CA SER A 37 -7.102 -5.005 -7.253 1.00 0.00 C ATOM 583 C SER A 37 -6.837 -3.555 -6.840 1.00 0.00 C ATOM 584 O SER A 37 -5.689 -3.109 -6.800 1.00 0.00 O ATOM 585 CB SER A 37 -7.330 -5.082 -8.763 1.00 0.00 C ATOM 586 OG SER A 37 -7.589 -6.416 -9.169 1.00 0.00 O ATOM 0 H SER A 37 -9.008 -5.880 -7.156 1.00 0.00 H new ATOM 0 HA SER A 37 -6.226 -5.596 -6.984 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.169 -4.444 -9.041 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.453 -4.702 -9.287 1.00 0.00 H new ATOM 0 HG SER A 37 -7.733 -6.441 -10.138 1.00 0.00 H new ATOM 592 N ARG A 38 -7.898 -2.830 -6.507 1.00 0.00 N ATOM 593 CA ARG A 38 -7.777 -1.422 -6.151 1.00 0.00 C ATOM 594 C ARG A 38 -7.254 -1.280 -4.733 1.00 0.00 C ATOM 595 O ARG A 38 -6.586 -0.304 -4.409 1.00 0.00 O ATOM 596 CB ARG A 38 -9.129 -0.720 -6.297 1.00 0.00 C ATOM 597 CG ARG A 38 -9.021 0.733 -6.734 1.00 0.00 C ATOM 598 CD ARG A 38 -10.386 1.295 -7.094 1.00 0.00 C ATOM 599 NE ARG A 38 -10.292 2.547 -7.843 1.00 0.00 N ATOM 600 CZ ARG A 38 -10.936 2.780 -8.991 1.00 0.00 C ATOM 601 NH1 ARG A 38 -11.675 1.828 -9.545 1.00 0.00 N ATOM 602 NH2 ARG A 38 -10.813 3.959 -9.592 1.00 0.00 N ATOM 0 H ARG A 38 -8.851 -3.193 -6.476 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.067 -0.949 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.734 -1.264 -7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.656 -0.765 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.579 1.326 -5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.354 0.810 -7.593 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.934 0.561 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.959 1.462 -6.182 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.699 3.287 -7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.753 0.916 -9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.166 2.008 -10.421 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.228 4.684 -9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.304 4.139 -10.468 1.00 0.00 H new ATOM 616 N LYS A 39 -7.545 -2.268 -3.893 1.00 0.00 N ATOM 617 CA LYS A 39 -7.052 -2.276 -2.521 1.00 0.00 C ATOM 618 C LYS A 39 -5.571 -2.627 -2.506 1.00 0.00 C ATOM 619 O LYS A 39 -4.784 -2.042 -1.755 1.00 0.00 O ATOM 620 CB LYS A 39 -7.852 -3.268 -1.677 1.00 0.00 C ATOM 621 CG LYS A 39 -9.338 -2.961 -1.667 1.00 0.00 C ATOM 622 CD LYS A 39 -10.096 -3.773 -0.634 1.00 0.00 C ATOM 623 CE LYS A 39 -11.578 -3.438 -0.664 1.00 0.00 C ATOM 624 NZ LYS A 39 -12.300 -3.956 0.526 1.00 0.00 N ATOM 0 H LYS A 39 -8.120 -3.074 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.179 -1.283 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.696 -4.276 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.475 -3.256 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.484 -1.899 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.753 -3.160 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.955 -4.837 -0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.694 -3.573 0.359 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.702 -2.356 -0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.024 -3.856 -1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.307 -4.076 0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.897 -4.873 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.202 -3.282 1.312 1.00 0.00 H new ATOM 638 N ILE A 40 -5.200 -3.573 -3.361 1.00 0.00 N ATOM 639 CA ILE A 40 -3.802 -3.917 -3.574 1.00 0.00 C ATOM 640 C ILE A 40 -3.025 -2.690 -4.040 1.00 0.00 C ATOM 641 O ILE A 40 -1.884 -2.466 -3.632 1.00 0.00 O ATOM 642 CB ILE A 40 -3.667 -5.048 -4.618 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.284 -6.338 -4.071 1.00 0.00 C ATOM 644 CG2 ILE A 40 -2.207 -5.265 -5.004 1.00 0.00 C ATOM 645 CD1 ILE A 40 -4.264 -7.490 -5.051 1.00 0.00 C ATOM 0 H ILE A 40 -5.855 -4.118 -3.921 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.390 -4.267 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.206 -4.756 -5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.747 -6.632 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.315 -6.140 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.140 -6.066 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.803 -4.347 -5.430 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.633 -5.537 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.718 -8.367 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.826 -7.217 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.234 -7.716 -5.325 1.00 0.00 H new ATOM 657 N ALA A 41 -3.665 -1.889 -4.885 1.00 0.00 N ATOM 658 CA ALA A 41 -3.072 -0.655 -5.372 1.00 0.00 C ATOM 659 C ALA A 41 -2.831 0.323 -4.230 1.00 0.00 C ATOM 660 O ALA A 41 -1.833 1.036 -4.226 1.00 0.00 O ATOM 661 CB ALA A 41 -3.958 -0.020 -6.432 1.00 0.00 C ATOM 0 H ALA A 41 -4.600 -2.076 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.109 -0.899 -5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.498 0.903 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.076 -0.709 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.935 0.202 -6.004 1.00 0.00 H new ATOM 667 N VAL A 42 -3.739 0.344 -3.254 1.00 0.00 N ATOM 668 CA VAL A 42 -3.623 1.271 -2.132 1.00 0.00 C ATOM 669 C VAL A 42 -2.341 1.017 -1.346 1.00 0.00 C ATOM 670 O VAL A 42 -1.516 1.912 -1.203 1.00 0.00 O ATOM 671 CB VAL A 42 -4.825 1.199 -1.161 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.757 2.330 -0.145 1.00 0.00 C ATOM 673 CG2 VAL A 42 -6.135 1.260 -1.916 1.00 0.00 C ATOM 0 H VAL A 42 -4.556 -0.266 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.604 2.268 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.775 0.246 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.610 2.264 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.833 2.249 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.779 3.288 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.964 1.208 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.191 2.195 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.195 0.421 -2.609 1.00 0.00 H new ATOM 683 N VAL A 43 -2.164 -0.214 -0.865 1.00 0.00 N ATOM 684 CA VAL A 43 -0.992 -0.544 -0.049 1.00 0.00 C ATOM 685 C VAL A 43 0.318 -0.323 -0.804 1.00 0.00 C ATOM 686 O VAL A 43 1.283 0.183 -0.238 1.00 0.00 O ATOM 687 CB VAL A 43 -1.025 -1.991 0.503 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.547 -2.004 1.932 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.866 -2.905 -0.376 1.00 0.00 C ATOM 0 H VAL A 43 -2.807 -0.990 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.036 0.143 0.796 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.003 -2.371 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.564 -3.028 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.896 -1.399 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.557 -1.594 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.867 -3.912 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.888 -2.529 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.446 -2.930 -1.382 1.00 0.00 H new ATOM 699 N ARG A 44 0.352 -0.684 -2.079 1.00 0.00 N ATOM 700 CA ARG A 44 1.560 -0.498 -2.873 1.00 0.00 C ATOM 701 C ARG A 44 1.773 0.985 -3.175 1.00 0.00 C ATOM 702 O ARG A 44 2.901 1.472 -3.158 1.00 0.00 O ATOM 703 CB ARG A 44 1.480 -1.303 -4.171 1.00 0.00 C ATOM 704 CG ARG A 44 1.221 -2.788 -3.946 1.00 0.00 C ATOM 705 CD ARG A 44 1.242 -3.579 -5.247 1.00 0.00 C ATOM 706 NE ARG A 44 2.603 -3.899 -5.688 1.00 0.00 N ATOM 707 CZ ARG A 44 2.926 -4.207 -6.944 1.00 0.00 C ATOM 708 NH1 ARG A 44 2.007 -4.175 -7.902 1.00 0.00 N ATOM 709 NH2 ARG A 44 4.170 -4.551 -7.250 1.00 0.00 N ATOM 0 H ARG A 44 -0.431 -1.102 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 44 2.411 -0.861 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.686 -0.894 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.413 -1.184 -4.722 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.975 -3.188 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.254 -2.917 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.679 -4.503 -5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.737 -3.006 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 44 3.348 -3.885 -4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.047 -3.913 -7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.261 -4.412 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.884 -4.581 -6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.412 -4.786 -8.213 1.00 0.00 H new ATOM 723 N GLY A 45 0.680 1.696 -3.423 1.00 0.00 N ATOM 724 CA GLY A 45 0.756 3.117 -3.701 1.00 0.00 C ATOM 725 C GLY A 45 1.217 3.919 -2.496 1.00 0.00 C ATOM 726 O GLY A 45 2.126 4.743 -2.602 1.00 0.00 O ATOM 0 H GLY A 45 -0.264 1.310 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.442 3.286 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.223 3.475 -4.019 1.00 0.00 H new ATOM 730 N VAL A 46 0.600 3.671 -1.340 1.00 0.00 N ATOM 731 CA VAL A 46 0.932 4.423 -0.132 1.00 0.00 C ATOM 732 C VAL A 46 2.337 4.090 0.372 1.00 0.00 C ATOM 733 O VAL A 46 3.179 4.976 0.478 1.00 0.00 O ATOM 734 CB VAL A 46 -0.094 4.212 1.020 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.444 4.798 0.655 1.00 0.00 C ATOM 736 CG2 VAL A 46 -0.247 2.744 1.397 1.00 0.00 C ATOM 0 H VAL A 46 -0.124 2.963 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 46 0.893 5.472 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 46 0.300 4.736 1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.144 4.638 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.339 5.867 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.821 4.310 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.973 2.649 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.592 2.180 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.715 2.351 1.726 1.00 0.00 H new ATOM 746 N ILE A 47 2.588 2.810 0.626 1.00 0.00 N ATOM 747 CA ILE A 47 3.805 2.365 1.296 1.00 0.00 C ATOM 748 C ILE A 47 5.036 2.535 0.412 1.00 0.00 C ATOM 749 O ILE A 47 6.078 3.013 0.865 1.00 0.00 O ATOM 750 CB ILE A 47 3.677 0.882 1.721 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.548 0.715 2.747 1.00 0.00 C ATOM 752 CG2 ILE A 47 4.986 0.356 2.287 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.304 -0.723 3.152 1.00 0.00 C ATOM 0 H ILE A 47 1.954 2.052 0.373 1.00 0.00 H new ATOM 0 HA ILE A 47 3.932 2.991 2.179 1.00 0.00 H new ATOM 0 HB ILE A 47 3.436 0.299 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.787 1.298 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.628 1.128 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.864 -0.688 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.767 0.434 1.531 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.267 0.944 3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.493 -0.764 3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.033 -1.308 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.210 -1.135 3.596 1.00 0.00 H new ATOM 765 N TYR A 48 4.915 2.155 -0.850 1.00 0.00 N ATOM 766 CA TYR A 48 6.056 2.167 -1.749 1.00 0.00 C ATOM 767 C TYR A 48 6.248 3.542 -2.373 1.00 0.00 C ATOM 768 O TYR A 48 7.369 3.945 -2.690 1.00 0.00 O ATOM 769 CB TYR A 48 5.869 1.117 -2.845 1.00 0.00 C ATOM 770 CG TYR A 48 7.111 0.859 -3.661 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.069 -0.047 -3.227 1.00 0.00 C ATOM 772 CD2 TYR A 48 7.329 1.524 -4.860 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.211 -0.282 -3.965 1.00 0.00 C ATOM 774 CE2 TYR A 48 8.470 1.295 -5.603 1.00 0.00 C ATOM 775 CZ TYR A 48 9.409 0.391 -5.151 1.00 0.00 C ATOM 776 OH TYR A 48 10.550 0.165 -5.885 1.00 0.00 O ATOM 0 H TYR A 48 4.043 1.836 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 48 6.948 1.929 -1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.546 0.182 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.069 1.440 -3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.918 -0.576 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.595 2.231 -5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.947 -0.991 -3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.627 1.821 -6.533 1.00 0.00 H new ATOM 0 HH TYR A 48 10.534 0.718 -6.694 1.00 0.00 H new ATOM 786 N GLY A 49 5.153 4.266 -2.544 1.00 0.00 N ATOM 787 CA GLY A 49 5.209 5.510 -3.274 1.00 0.00 C ATOM 788 C GLY A 49 5.243 6.746 -2.399 1.00 0.00 C ATOM 789 O GLY A 49 6.202 7.516 -2.444 1.00 0.00 O ATOM 0 H GLY A 49 4.230 4.014 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.094 5.505 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.343 5.570 -3.934 1.00 0.00 H new ATOM 793 N LEU A 50 4.206 6.938 -1.596 1.00 0.00 N ATOM 794 CA LEU A 50 3.990 8.222 -0.948 1.00 0.00 C ATOM 795 C LEU A 50 4.522 8.263 0.480 1.00 0.00 C ATOM 796 O LEU A 50 5.592 8.820 0.735 1.00 0.00 O ATOM 797 CB LEU A 50 2.494 8.583 -0.954 1.00 0.00 C ATOM 798 CG LEU A 50 1.926 9.089 -2.292 1.00 0.00 C ATOM 799 CD1 LEU A 50 1.939 8.002 -3.358 1.00 0.00 C ATOM 800 CD2 LEU A 50 0.511 9.611 -2.094 1.00 0.00 C ATOM 0 H LEU A 50 3.507 6.227 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 50 4.551 8.957 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.927 7.702 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.322 9.348 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 50 2.567 9.900 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.530 8.399 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.963 7.669 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.333 7.159 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.118 9.967 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.123 8.809 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.523 10.432 -1.377 1.00 0.00 H new ATOM 812 N ILE A 51 3.804 7.647 1.406 1.00 0.00 N ATOM 813 CA ILE A 51 4.058 7.875 2.823 1.00 0.00 C ATOM 814 C ILE A 51 4.195 6.575 3.603 1.00 0.00 C ATOM 815 O ILE A 51 3.945 5.489 3.081 1.00 0.00 O ATOM 816 CB ILE A 51 2.944 8.733 3.488 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.615 7.959 3.611 1.00 0.00 C ATOM 818 CG2 ILE A 51 2.735 10.034 2.724 1.00 0.00 C ATOM 819 CD1 ILE A 51 0.916 7.663 2.297 1.00 0.00 C ATOM 0 H ILE A 51 3.048 6.992 1.207 1.00 0.00 H new ATOM 0 HA ILE A 51 5.003 8.417 2.861 1.00 0.00 H new ATOM 0 HB ILE A 51 3.280 8.970 4.498 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.808 7.016 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.937 8.531 4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.951 10.618 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.663 10.606 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.441 9.811 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.007 7.117 2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.684 8.599 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.569 7.060 1.665 1.00 0.00 H new ATOM 831 N THR A 52 4.591 6.701 4.862 1.00 0.00 N ATOM 832 CA THR A 52 4.695 5.561 5.752 1.00 0.00 C ATOM 833 C THR A 52 3.320 5.018 6.092 1.00 0.00 C ATOM 834 O THR A 52 2.297 5.681 5.888 1.00 0.00 O ATOM 835 CB THR A 52 5.441 5.917 7.061 1.00 0.00 C ATOM 836 OG1 THR A 52 5.445 4.810 7.969 1.00 0.00 O ATOM 837 CG2 THR A 52 4.823 7.131 7.739 1.00 0.00 C ATOM 0 H THR A 52 4.847 7.591 5.290 1.00 0.00 H new ATOM 0 HA THR A 52 5.269 4.799 5.224 1.00 0.00 H new ATOM 0 HB THR A 52 6.469 6.155 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.924 5.060 8.787 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.370 7.354 8.655 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.874 7.988 7.068 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.781 6.922 7.981 1.00 0.00 H new ATOM 845 N LEU A 53 3.310 3.819 6.631 1.00 0.00 N ATOM 846 CA LEU A 53 2.081 3.167 7.019 1.00 0.00 C ATOM 847 C LEU A 53 1.347 3.978 8.078 1.00 0.00 C ATOM 848 O LEU A 53 0.126 4.007 8.098 1.00 0.00 O ATOM 849 CB LEU A 53 2.380 1.764 7.536 1.00 0.00 C ATOM 850 CG LEU A 53 1.184 1.026 8.146 1.00 0.00 C ATOM 851 CD1 LEU A 53 0.013 0.996 7.173 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.579 -0.389 8.547 1.00 0.00 C ATOM 0 H LEU A 53 4.151 3.271 6.812 1.00 0.00 H new ATOM 0 HA LEU A 53 1.436 3.094 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.774 1.167 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.167 1.831 8.287 1.00 0.00 H new ATOM 0 HG LEU A 53 0.871 1.566 9.040 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.824 0.467 7.628 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.288 2.016 6.935 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.313 0.483 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.718 -0.899 8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.920 -0.935 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.382 -0.348 9.283 1.00 0.00 H new ATOM 864 N ALA A 54 2.095 4.649 8.942 1.00 0.00 N ATOM 865 CA ALA A 54 1.492 5.463 9.991 1.00 0.00 C ATOM 866 C ALA A 54 0.553 6.509 9.395 1.00 0.00 C ATOM 867 O ALA A 54 -0.580 6.676 9.852 1.00 0.00 O ATOM 868 CB ALA A 54 2.573 6.128 10.826 1.00 0.00 C ATOM 0 H ALA A 54 3.115 4.647 8.939 1.00 0.00 H new ATOM 0 HA ALA A 54 0.904 4.812 10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.110 6.733 11.606 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.201 5.364 11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.185 6.765 10.188 1.00 0.00 H new ATOM 874 N GLU A 55 1.014 7.178 8.346 1.00 0.00 N ATOM 875 CA GLU A 55 0.236 8.239 7.717 1.00 0.00 C ATOM 876 C GLU A 55 -0.879 7.652 6.850 1.00 0.00 C ATOM 877 O GLU A 55 -1.998 8.168 6.826 1.00 0.00 O ATOM 878 CB GLU A 55 1.154 9.144 6.893 1.00 0.00 C ATOM 879 CG GLU A 55 2.269 9.767 7.721 1.00 0.00 C ATOM 880 CD GLU A 55 3.126 10.741 6.941 1.00 0.00 C ATOM 881 OE1 GLU A 55 4.105 10.301 6.304 1.00 0.00 O ATOM 882 OE2 GLU A 55 2.846 11.958 6.989 1.00 0.00 O ATOM 0 H GLU A 55 1.921 7.006 7.913 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.232 8.840 8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.592 8.565 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.561 9.936 6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.832 10.283 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.903 8.974 8.118 1.00 0.00 H new ATOM 889 N ALA A 56 -0.580 6.546 6.174 1.00 0.00 N ATOM 890 CA ALA A 56 -1.574 5.839 5.363 1.00 0.00 C ATOM 891 C ALA A 56 -2.559 5.092 6.245 1.00 0.00 C ATOM 892 O ALA A 56 -3.556 4.584 5.767 1.00 0.00 O ATOM 893 CB ALA A 56 -0.888 4.875 4.409 1.00 0.00 C ATOM 0 H ALA A 56 0.345 6.117 6.170 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.126 6.577 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.639 4.357 3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.220 5.429 3.749 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.312 4.147 4.980 1.00 0.00 H new ATOM 899 N LYS A 57 -2.272 5.022 7.532 1.00 0.00 N ATOM 900 CA LYS A 57 -3.194 4.428 8.482 1.00 0.00 C ATOM 901 C LYS A 57 -4.142 5.494 9.012 1.00 0.00 C ATOM 902 O LYS A 57 -5.327 5.238 9.224 1.00 0.00 O ATOM 903 CB LYS A 57 -2.418 3.763 9.620 1.00 0.00 C ATOM 904 CG LYS A 57 -3.289 3.097 10.672 1.00 0.00 C ATOM 905 CD LYS A 57 -2.456 2.253 11.625 1.00 0.00 C ATOM 906 CE LYS A 57 -1.267 3.031 12.173 1.00 0.00 C ATOM 907 NZ LYS A 57 -0.412 2.198 13.060 1.00 0.00 N ATOM 0 H LYS A 57 -1.406 5.370 7.944 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.786 3.660 7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.746 3.016 9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.795 4.514 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.830 3.858 11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.036 2.470 10.185 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.081 1.913 12.451 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.101 1.362 11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.668 3.408 11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.626 3.898 12.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.384 2.768 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.975 1.858 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.047 1.384 12.526 1.00 0.00 H new ATOM 921 N GLN A 58 -3.624 6.703 9.195 1.00 0.00 N ATOM 922 CA GLN A 58 -4.445 7.818 9.649 1.00 0.00 C ATOM 923 C GLN A 58 -5.486 8.163 8.592 1.00 0.00 C ATOM 924 O GLN A 58 -6.654 8.403 8.900 1.00 0.00 O ATOM 925 CB GLN A 58 -3.590 9.057 9.942 1.00 0.00 C ATOM 926 CG GLN A 58 -2.496 8.843 10.978 1.00 0.00 C ATOM 927 CD GLN A 58 -2.988 8.131 12.222 1.00 0.00 C ATOM 928 OE1 GLN A 58 -3.507 8.756 13.146 1.00 0.00 O ATOM 929 NE2 GLN A 58 -2.796 6.825 12.271 1.00 0.00 N ATOM 0 H GLN A 58 -2.643 6.935 9.037 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.940 7.513 10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.131 9.393 9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.243 9.860 10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.688 8.264 10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.077 9.809 11.261 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.362 6.343 11.483 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.082 6.298 13.096 1.00 0.00 H new ATOM 938 N THR A 59 -5.050 8.177 7.342 1.00 0.00 N ATOM 939 CA THR A 59 -5.920 8.522 6.236 1.00 0.00 C ATOM 940 C THR A 59 -6.578 7.278 5.632 1.00 0.00 C ATOM 941 O THR A 59 -7.802 7.197 5.542 1.00 0.00 O ATOM 942 CB THR A 59 -5.132 9.266 5.140 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.285 10.256 5.741 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.075 9.932 4.147 1.00 0.00 C ATOM 0 H THR A 59 -4.093 7.952 7.070 1.00 0.00 H new ATOM 0 HA THR A 59 -6.702 9.173 6.628 1.00 0.00 H new ATOM 0 HB THR A 59 -4.523 8.540 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.498 9.821 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.494 10.450 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.700 9.174 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.707 10.649 4.670 1.00 0.00 H new ATOM 952 N TYR A 60 -5.767 6.302 5.248 1.00 0.00 N ATOM 953 CA TYR A 60 -6.265 5.150 4.501 1.00 0.00 C ATOM 954 C TYR A 60 -6.345 3.890 5.365 1.00 0.00 C ATOM 955 O TYR A 60 -6.444 2.788 4.837 1.00 0.00 O ATOM 956 CB TYR A 60 -5.383 4.874 3.280 1.00 0.00 C ATOM 957 CG TYR A 60 -5.217 6.064 2.363 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.188 6.374 1.422 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.093 6.880 2.440 1.00 0.00 C ATOM 960 CE1 TYR A 60 -6.047 7.461 0.585 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.945 7.971 1.603 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.926 8.255 0.676 1.00 0.00 C ATOM 963 OH TYR A 60 -4.788 9.339 -0.158 1.00 0.00 O ATOM 0 H TYR A 60 -4.765 6.282 5.439 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.274 5.401 4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.399 4.550 3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.812 4.048 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.069 5.754 1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.324 6.658 3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.814 7.689 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.067 8.596 1.675 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.674 9.672 -0.411 1.00 0.00 H new ATOM 973 N GLY A 61 -6.298 4.054 6.686 1.00 0.00 N ATOM 974 CA GLY A 61 -6.237 2.904 7.579 1.00 0.00 C ATOM 975 C GLY A 61 -7.488 2.039 7.566 1.00 0.00 C ATOM 976 O GLY A 61 -7.418 0.867 7.938 1.00 0.00 O ATOM 0 H GLY A 61 -6.301 4.960 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.380 2.289 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.063 3.256 8.596 1.00 0.00 H new ATOM 980 N LEU A 62 -8.616 2.617 7.126 1.00 0.00 N ATOM 981 CA LEU A 62 -9.923 1.933 7.099 1.00 0.00 C ATOM 982 C LEU A 62 -10.188 1.188 8.407 1.00 0.00 C ATOM 983 O LEU A 62 -10.649 1.775 9.389 1.00 0.00 O ATOM 984 CB LEU A 62 -10.042 0.959 5.913 1.00 0.00 C ATOM 985 CG LEU A 62 -8.957 1.072 4.840 1.00 0.00 C ATOM 986 CD1 LEU A 62 -7.999 -0.112 4.926 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.577 1.162 3.455 1.00 0.00 C ATOM 0 H LEU A 62 -8.650 3.575 6.777 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.676 2.711 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.035 -0.059 6.303 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.011 1.112 5.439 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.391 1.987 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.233 -0.017 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.526 -0.127 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.552 -1.039 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.788 1.242 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.170 0.268 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.219 2.041 3.400 1.00 0.00 H new ATOM 999 N SER A 63 -9.893 -0.106 8.415 1.00 0.00 N ATOM 1000 CA SER A 63 -9.960 -0.902 9.623 1.00 0.00 C ATOM 1001 C SER A 63 -8.786 -1.876 9.656 1.00 0.00 C ATOM 1002 O SER A 63 -8.370 -2.376 8.611 1.00 0.00 O ATOM 1003 CB SER A 63 -11.294 -1.648 9.683 1.00 0.00 C ATOM 1004 OG SER A 63 -12.380 -0.735 9.648 1.00 0.00 O ATOM 0 H SER A 63 -9.603 -0.626 7.587 1.00 0.00 H new ATOM 0 HA SER A 63 -9.896 -0.252 10.495 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.367 -2.341 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.343 -2.244 10.594 1.00 0.00 H new ATOM 0 HG SER A 63 -13.225 -1.230 9.686 1.00 0.00 H new ATOM 1010 N ASP A 64 -8.258 -2.129 10.852 1.00 0.00 N ATOM 1011 CA ASP A 64 -7.094 -3.001 11.029 1.00 0.00 C ATOM 1012 C ASP A 64 -7.266 -4.324 10.288 1.00 0.00 C ATOM 1013 O ASP A 64 -6.380 -4.754 9.545 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.855 -3.267 12.516 1.00 0.00 C ATOM 1015 CG ASP A 64 -5.719 -4.242 12.761 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -4.550 -3.862 12.563 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -5.995 -5.399 13.147 1.00 0.00 O ATOM 0 H ASP A 64 -8.621 -1.739 11.722 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.229 -2.488 10.608 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.635 -2.325 13.019 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.769 -3.660 12.962 1.00 0.00 H new ATOM 1022 N GLU A 65 -8.422 -4.944 10.478 1.00 0.00 N ATOM 1023 CA GLU A 65 -8.746 -6.208 9.824 1.00 0.00 C ATOM 1024 C GLU A 65 -8.551 -6.127 8.312 1.00 0.00 C ATOM 1025 O GLU A 65 -7.913 -6.998 7.716 1.00 0.00 O ATOM 1026 CB GLU A 65 -10.192 -6.587 10.138 1.00 0.00 C ATOM 1027 CG GLU A 65 -10.329 -7.674 11.186 1.00 0.00 C ATOM 1028 CD GLU A 65 -10.058 -9.048 10.617 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -8.886 -9.472 10.585 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -11.027 -9.704 10.172 1.00 0.00 O ATOM 0 H GLU A 65 -9.160 -4.589 11.086 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.068 -6.970 10.207 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.724 -5.699 10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.678 -6.918 9.220 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.636 -7.478 12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.334 -7.648 11.606 1.00 0.00 H new ATOM 1037 N GLU A 66 -9.074 -5.070 7.708 1.00 0.00 N ATOM 1038 CA GLU A 66 -9.032 -4.936 6.262 1.00 0.00 C ATOM 1039 C GLU A 66 -7.615 -4.674 5.768 1.00 0.00 C ATOM 1040 O GLU A 66 -7.173 -5.281 4.797 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.941 -3.809 5.782 1.00 0.00 C ATOM 1042 CG GLU A 66 -10.413 -4.019 4.352 1.00 0.00 C ATOM 1043 CD GLU A 66 -11.283 -2.897 3.828 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.989 -2.260 4.630 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -11.280 -2.678 2.599 1.00 0.00 O ATOM 0 H GLU A 66 -9.529 -4.298 8.194 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.385 -5.882 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.806 -3.737 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.408 -2.861 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.543 -4.126 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.969 -4.955 4.296 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.905 -3.774 6.440 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.580 -3.371 5.985 1.00 0.00 C ATOM 1054 C PHE A 67 -4.616 -4.560 6.008 1.00 0.00 C ATOM 1055 O PHE A 67 -3.841 -4.762 5.073 1.00 0.00 O ATOM 1056 CB PHE A 67 -5.033 -2.222 6.840 1.00 0.00 C ATOM 1057 CG PHE A 67 -4.069 -1.342 6.099 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.755 -1.732 5.911 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.485 -0.124 5.581 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.875 -0.926 5.219 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -3.608 0.688 4.893 1.00 0.00 C ATOM 1062 CZ PHE A 67 -2.300 0.285 4.710 1.00 0.00 C ATOM 0 H PHE A 67 -7.221 -3.314 7.294 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.670 -3.018 4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.865 -1.617 7.199 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.537 -2.635 7.718 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.415 -2.676 6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.509 0.192 5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.853 -1.243 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.943 1.636 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.610 0.916 4.169 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.677 -5.356 7.073 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.844 -6.553 7.177 1.00 0.00 C ATOM 1074 C ASN A 68 -4.245 -7.572 6.123 1.00 0.00 C ATOM 1075 O ASN A 68 -3.404 -8.307 5.611 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.946 -7.187 8.569 1.00 0.00 C ATOM 1077 CG ASN A 68 -3.222 -6.392 9.639 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -2.028 -6.578 9.868 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -3.944 -5.515 10.310 1.00 0.00 N ATOM 0 H ASN A 68 -5.290 -5.196 7.872 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.810 -6.248 7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.997 -7.281 8.843 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.535 -8.196 8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.514 -4.960 11.050 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.932 -5.391 10.088 1.00 0.00 H new ATOM 1086 N SER A 69 -5.530 -7.589 5.796 1.00 0.00 N ATOM 1087 CA SER A 69 -6.065 -8.524 4.819 1.00 0.00 C ATOM 1088 C SER A 69 -5.399 -8.328 3.456 1.00 0.00 C ATOM 1089 O SER A 69 -5.066 -9.302 2.777 1.00 0.00 O ATOM 1090 CB SER A 69 -7.582 -8.347 4.712 1.00 0.00 C ATOM 1091 OG SER A 69 -8.178 -9.376 3.941 1.00 0.00 O ATOM 0 H SER A 69 -6.225 -6.960 6.198 1.00 0.00 H new ATOM 0 HA SER A 69 -5.850 -9.540 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.019 -8.341 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.804 -7.380 4.261 1.00 0.00 H new ATOM 0 HG SER A 69 -9.146 -9.232 3.895 1.00 0.00 H new ATOM 1097 N TRP A 70 -5.171 -7.066 3.075 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.548 -6.761 1.791 1.00 0.00 C ATOM 1099 C TRP A 70 -3.126 -7.308 1.754 1.00 0.00 C ATOM 1100 O TRP A 70 -2.744 -8.024 0.830 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.494 -5.248 1.536 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.812 -4.537 1.622 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -7.062 -5.086 1.682 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -6.002 -3.119 1.637 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -8.008 -4.095 1.764 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.383 -2.881 1.731 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.132 -2.031 1.594 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -7.915 -1.597 1.769 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -5.659 -0.755 1.632 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.038 -0.547 1.721 1.00 0.00 C ATOM 0 H TRP A 70 -5.408 -6.248 3.636 1.00 0.00 H new ATOM 0 HA TRP A 70 -5.156 -7.230 1.017 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.810 -4.799 2.256 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.072 -5.078 0.546 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -7.274 -6.145 1.667 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.015 -4.241 1.838 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.065 -2.183 1.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.981 -1.434 1.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -4.995 0.096 1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.420 0.463 1.753 1.00 0.00 H new ATOM 1121 N VAL A 71 -2.354 -6.968 2.785 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.953 -7.357 2.866 1.00 0.00 C ATOM 1123 C VAL A 71 -0.810 -8.873 2.930 1.00 0.00 C ATOM 1124 O VAL A 71 0.042 -9.453 2.258 1.00 0.00 O ATOM 1125 CB VAL A 71 -0.264 -6.729 4.097 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.224 -7.061 4.115 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.476 -5.223 4.126 1.00 0.00 C ATOM 0 H VAL A 71 -2.682 -6.420 3.580 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.467 -6.987 1.963 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.719 -7.155 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.687 -6.608 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.355 -8.142 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.695 -6.671 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.018 -4.803 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.055 -4.779 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.543 -5.007 4.173 1.00 0.00 H new ATOM 1137 N SER A 72 -1.655 -9.509 3.730 1.00 0.00 N ATOM 1138 CA SER A 72 -1.631 -10.957 3.882 1.00 0.00 C ATOM 1139 C SER A 72 -2.019 -11.655 2.578 1.00 0.00 C ATOM 1140 O SER A 72 -1.536 -12.750 2.283 1.00 0.00 O ATOM 1141 CB SER A 72 -2.565 -11.376 5.018 1.00 0.00 C ATOM 1142 OG SER A 72 -2.156 -10.801 6.247 1.00 0.00 O ATOM 0 H SER A 72 -2.370 -9.041 4.287 1.00 0.00 H new ATOM 0 HA SER A 72 -0.614 -11.262 4.129 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.585 -11.067 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.574 -12.462 5.105 1.00 0.00 H new ATOM 0 HG SER A 72 -2.473 -9.875 6.296 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.867 -11.005 1.786 1.00 0.00 N ATOM 1149 CA ALA A 73 -3.261 -11.541 0.490 1.00 0.00 C ATOM 1150 C ALA A 73 -2.126 -11.369 -0.509 1.00 0.00 C ATOM 1151 O ALA A 73 -1.958 -12.169 -1.433 1.00 0.00 O ATOM 1152 CB ALA A 73 -4.520 -10.852 -0.011 1.00 0.00 C ATOM 0 H ALA A 73 -3.293 -10.108 2.020 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.475 -12.604 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.800 -11.265 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.330 -11.013 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.334 -9.783 -0.112 1.00 0.00 H new ATOM 1158 N LEU A 74 -1.349 -10.316 -0.310 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.189 -10.039 -1.142 1.00 0.00 C ATOM 1160 C LEU A 74 0.992 -10.902 -0.727 1.00 0.00 C ATOM 1161 O LEU A 74 1.925 -11.105 -1.498 1.00 0.00 O ATOM 1162 CB LEU A 74 0.183 -8.563 -1.036 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.826 -7.608 -1.666 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.452 -6.168 -1.371 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.903 -7.850 -3.165 1.00 0.00 C ATOM 0 H LEU A 74 -1.504 -9.632 0.430 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.441 -10.276 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.299 -8.306 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.153 -8.411 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.808 -7.796 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.183 -5.501 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.440 -6.009 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.536 -5.958 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.626 -7.164 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.077 -7.682 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.216 -8.877 -3.352 1.00 0.00 H new ATOM 1177 N ALA A 75 0.929 -11.414 0.495 1.00 0.00 N ATOM 1178 CA ALA A 75 2.000 -12.228 1.049 1.00 0.00 C ATOM 1179 C ALA A 75 2.005 -13.623 0.451 1.00 0.00 C ATOM 1180 O ALA A 75 2.940 -14.390 0.685 1.00 0.00 O ATOM 1181 CB ALA A 75 1.872 -12.314 2.562 1.00 0.00 C ATOM 0 H ALA A 75 0.139 -11.277 1.126 1.00 0.00 H new ATOM 0 HA ALA A 75 2.944 -11.747 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.681 -12.926 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.930 -11.313 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.914 -12.764 2.821 1.00 0.00 H new ATOM 1187 N GLU A 76 0.945 -13.946 -0.299 1.00 0.00 N ATOM 1188 CA GLU A 76 0.791 -15.252 -0.952 1.00 0.00 C ATOM 1189 C GLU A 76 0.417 -16.318 0.080 1.00 0.00 C ATOM 1190 O GLU A 76 -0.397 -17.203 -0.184 1.00 0.00 O ATOM 1191 CB GLU A 76 2.072 -15.626 -1.708 1.00 0.00 C ATOM 1192 CG GLU A 76 1.951 -16.829 -2.624 1.00 0.00 C ATOM 1193 CD GLU A 76 3.194 -17.008 -3.468 1.00 0.00 C ATOM 1194 OE1 GLU A 76 3.414 -16.187 -4.387 1.00 0.00 O ATOM 1195 OE2 GLU A 76 3.969 -17.948 -3.205 1.00 0.00 O ATOM 0 H GLU A 76 0.168 -13.308 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.018 -15.193 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.389 -14.768 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.861 -15.820 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.782 -17.726 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.083 -16.708 -3.273 1.00 0.00 H new ATOM 1202 N HIS A 77 1.017 -16.218 1.256 1.00 0.00 N ATOM 1203 CA HIS A 77 0.644 -17.039 2.395 1.00 0.00 C ATOM 1204 C HIS A 77 0.425 -16.124 3.592 1.00 0.00 C ATOM 1205 O HIS A 77 1.329 -15.380 3.977 1.00 0.00 O ATOM 1206 CB HIS A 77 1.732 -18.070 2.722 1.00 0.00 C ATOM 1207 CG HIS A 77 2.168 -18.893 1.547 1.00 0.00 C ATOM 1208 ND1 HIS A 77 1.454 -19.965 1.061 1.00 0.00 N ATOM 1209 CD2 HIS A 77 3.262 -18.785 0.754 1.00 0.00 C ATOM 1210 CE1 HIS A 77 2.089 -20.481 0.025 1.00 0.00 C ATOM 1211 NE2 HIS A 77 3.187 -19.781 -0.180 1.00 0.00 N ATOM 0 H HIS A 77 1.777 -15.565 1.447 1.00 0.00 H new ATOM 0 HA HIS A 77 -0.268 -17.587 2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 77 2.599 -17.550 3.130 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.364 -18.736 3.502 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.047 -18.049 0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.764 -21.332 -0.556 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.871 -19.954 -0.917 1.00 0.00 H new ATOM 1220 N GLY A 78 -0.766 -16.175 4.175 1.00 0.00 N ATOM 1221 CA GLY A 78 -1.109 -15.259 5.249 1.00 0.00 C ATOM 1222 C GLY A 78 -0.499 -15.652 6.582 1.00 0.00 C ATOM 1223 O GLY A 78 -1.213 -15.828 7.573 1.00 0.00 O ATOM 0 H GLY A 78 -1.502 -16.835 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.774 -14.256 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.193 -15.217 5.350 1.00 0.00 H new ATOM 1227 N LYS A 79 0.820 -15.795 6.604 1.00 0.00 N ATOM 1228 CA LYS A 79 1.548 -16.129 7.822 1.00 0.00 C ATOM 1229 C LYS A 79 2.854 -15.344 7.885 1.00 0.00 C ATOM 1230 O LYS A 79 3.147 -14.679 8.877 1.00 0.00 O ATOM 1231 CB LYS A 79 1.863 -17.632 7.886 1.00 0.00 C ATOM 1232 CG LYS A 79 0.636 -18.529 7.862 1.00 0.00 C ATOM 1233 CD LYS A 79 1.023 -19.995 7.953 1.00 0.00 C ATOM 1234 CE LYS A 79 -0.178 -20.905 7.769 1.00 0.00 C ATOM 1235 NZ LYS A 79 0.198 -22.336 7.888 1.00 0.00 N ATOM 0 H LYS A 79 1.413 -15.683 5.782 1.00 0.00 H new ATOM 0 HA LYS A 79 0.915 -15.865 8.669 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.506 -17.893 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.429 -17.834 8.795 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.021 -18.272 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.074 -18.355 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.771 -20.222 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.483 -20.191 8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.936 -20.664 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.625 -20.726 6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.646 -22.929 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.903 -22.571 7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.601 -22.512 8.830 1.00 0.00 H new ATOM 1249 N ASP A 80 3.621 -15.418 6.806 1.00 0.00 N ATOM 1250 CA ASP A 80 4.951 -14.823 6.757 1.00 0.00 C ATOM 1251 C ASP A 80 4.884 -13.318 6.553 1.00 0.00 C ATOM 1252 O ASP A 80 5.369 -12.551 7.386 1.00 0.00 O ATOM 1253 CB ASP A 80 5.769 -15.456 5.629 1.00 0.00 C ATOM 1254 CG ASP A 80 5.849 -16.965 5.752 1.00 0.00 C ATOM 1255 OD1 ASP A 80 6.737 -17.463 6.471 1.00 0.00 O ATOM 1256 OD2 ASP A 80 5.014 -17.659 5.129 1.00 0.00 O ATOM 0 H ASP A 80 3.342 -15.889 5.945 1.00 0.00 H new ATOM 0 HA ASP A 80 5.434 -15.015 7.715 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.323 -15.195 4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.776 -15.039 5.636 1.00 0.00 H new ATOM 1261 N ALA A 81 4.316 -12.917 5.417 1.00 0.00 N ATOM 1262 CA ALA A 81 4.166 -11.504 5.046 1.00 0.00 C ATOM 1263 C ALA A 81 5.506 -10.844 4.707 1.00 0.00 C ATOM 1264 O ALA A 81 5.538 -9.735 4.184 1.00 0.00 O ATOM 1265 CB ALA A 81 3.439 -10.725 6.137 1.00 0.00 C ATOM 0 H ALA A 81 3.944 -13.564 4.722 1.00 0.00 H new ATOM 0 HA ALA A 81 3.559 -11.479 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.342 -9.682 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.448 -11.152 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.007 -10.783 7.066 1.00 0.00 H new ATOM 1271 N LEU A 82 6.606 -11.534 4.980 1.00 0.00 N ATOM 1272 CA LEU A 82 7.935 -11.004 4.689 1.00 0.00 C ATOM 1273 C LEU A 82 8.230 -11.104 3.195 1.00 0.00 C ATOM 1274 O LEU A 82 9.166 -10.490 2.684 1.00 0.00 O ATOM 1275 CB LEU A 82 8.989 -11.773 5.495 1.00 0.00 C ATOM 1276 CG LEU A 82 10.423 -11.251 5.375 1.00 0.00 C ATOM 1277 CD1 LEU A 82 10.531 -9.837 5.924 1.00 0.00 C ATOM 1278 CD2 LEU A 82 11.384 -12.177 6.096 1.00 0.00 C ATOM 0 H LEU A 82 6.606 -12.462 5.403 1.00 0.00 H new ATOM 0 HA LEU A 82 7.969 -9.953 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.701 -11.755 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.973 -12.816 5.178 1.00 0.00 H new ATOM 0 HG LEU A 82 10.691 -11.226 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.559 -9.487 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.869 -9.177 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.242 -9.832 6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.400 -11.792 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.114 -12.233 7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.330 -13.172 5.655 1.00 0.00 H new ATOM 1290 N LYS A 83 7.410 -11.877 2.502 1.00 0.00 N ATOM 1291 CA LYS A 83 7.558 -12.087 1.067 1.00 0.00 C ATOM 1292 C LYS A 83 7.044 -10.872 0.286 1.00 0.00 C ATOM 1293 O LYS A 83 7.411 -10.658 -0.870 1.00 0.00 O ATOM 1294 CB LYS A 83 6.799 -13.365 0.671 1.00 0.00 C ATOM 1295 CG LYS A 83 6.693 -13.626 -0.826 1.00 0.00 C ATOM 1296 CD LYS A 83 8.054 -13.807 -1.486 1.00 0.00 C ATOM 1297 CE LYS A 83 7.909 -14.322 -2.911 1.00 0.00 C ATOM 1298 NZ LYS A 83 7.029 -13.454 -3.740 1.00 0.00 N ATOM 0 H LYS A 83 6.623 -12.377 2.916 1.00 0.00 H new ATOM 0 HA LYS A 83 8.613 -12.207 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.291 -14.218 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.792 -13.312 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.090 -14.518 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.171 -12.795 -1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.588 -12.857 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.654 -14.506 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.894 -14.385 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.502 -15.333 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.081 -13.755 -4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.048 -13.534 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.342 -12.465 -3.661 1.00 0.00 H new ATOM 1312 N VAL A 84 6.212 -10.068 0.938 1.00 0.00 N ATOM 1313 CA VAL A 84 5.649 -8.881 0.309 1.00 0.00 C ATOM 1314 C VAL A 84 6.737 -7.841 0.080 1.00 0.00 C ATOM 1315 O VAL A 84 7.360 -7.376 1.028 1.00 0.00 O ATOM 1316 CB VAL A 84 4.537 -8.251 1.174 1.00 0.00 C ATOM 1317 CG1 VAL A 84 3.807 -7.158 0.407 1.00 0.00 C ATOM 1318 CG2 VAL A 84 3.564 -9.310 1.656 1.00 0.00 C ATOM 0 H VAL A 84 5.913 -10.217 1.902 1.00 0.00 H new ATOM 0 HA VAL A 84 5.219 -9.193 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 84 5.006 -7.797 2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.028 -6.729 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.514 -6.379 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.355 -7.582 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.789 -8.843 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.105 -9.800 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.097 -10.049 2.254 1.00 0.00 H new ATOM 1328 N THR A 85 6.953 -7.475 -1.176 1.00 0.00 N ATOM 1329 CA THR A 85 7.999 -6.521 -1.536 1.00 0.00 C ATOM 1330 C THR A 85 7.879 -5.213 -0.743 1.00 0.00 C ATOM 1331 O THR A 85 8.880 -4.637 -0.318 1.00 0.00 O ATOM 1332 CB THR A 85 7.951 -6.211 -3.044 1.00 0.00 C ATOM 1333 OG1 THR A 85 7.771 -7.431 -3.783 1.00 0.00 O ATOM 1334 CG2 THR A 85 9.233 -5.528 -3.496 1.00 0.00 C ATOM 0 H THR A 85 6.415 -7.826 -1.969 1.00 0.00 H new ATOM 0 HA THR A 85 8.954 -6.984 -1.287 1.00 0.00 H new ATOM 0 HB THR A 85 7.114 -5.539 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.739 -7.231 -4.742 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.177 -5.319 -4.564 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.360 -4.594 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.083 -6.182 -3.299 1.00 0.00 H new ATOM 1342 N ALA A 86 6.646 -4.768 -0.520 1.00 0.00 N ATOM 1343 CA ALA A 86 6.395 -3.516 0.188 1.00 0.00 C ATOM 1344 C ALA A 86 6.591 -3.673 1.695 1.00 0.00 C ATOM 1345 O ALA A 86 6.948 -2.723 2.389 1.00 0.00 O ATOM 1346 CB ALA A 86 4.990 -3.016 -0.117 1.00 0.00 C ATOM 0 H ALA A 86 5.803 -5.257 -0.820 1.00 0.00 H new ATOM 0 HA ALA A 86 7.120 -2.781 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.813 -2.082 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.889 -2.847 -1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.261 -3.760 0.204 1.00 0.00 H new ATOM 1352 N LEU A 87 6.390 -4.884 2.191 1.00 0.00 N ATOM 1353 CA LEU A 87 6.468 -5.147 3.622 1.00 0.00 C ATOM 1354 C LEU A 87 7.911 -5.469 3.983 1.00 0.00 C ATOM 1355 O LEU A 87 8.428 -5.029 5.012 1.00 0.00 O ATOM 1356 CB LEU A 87 5.530 -6.309 3.992 1.00 0.00 C ATOM 1357 CG LEU A 87 5.163 -6.456 5.479 1.00 0.00 C ATOM 1358 CD1 LEU A 87 6.332 -6.984 6.299 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.683 -5.126 6.039 1.00 0.00 C ATOM 0 H LEU A 87 6.171 -5.703 1.623 1.00 0.00 H new ATOM 0 HA LEU A 87 6.150 -4.269 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.607 -6.195 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.994 -7.239 3.663 1.00 0.00 H new ATOM 0 HG LEU A 87 4.355 -7.185 5.549 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.033 -7.074 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.629 -7.962 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.172 -6.294 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.427 -5.246 7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.474 -4.383 5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.803 -4.795 5.487 1.00 0.00 H new ATOM 1371 N LYS A 88 8.554 -6.225 3.106 1.00 0.00 N ATOM 1372 CA LYS A 88 9.960 -6.550 3.244 1.00 0.00 C ATOM 1373 C LYS A 88 10.787 -5.271 3.235 1.00 0.00 C ATOM 1374 O LYS A 88 11.750 -5.135 3.990 1.00 0.00 O ATOM 1375 CB LYS A 88 10.394 -7.476 2.106 1.00 0.00 C ATOM 1376 CG LYS A 88 11.798 -8.028 2.267 1.00 0.00 C ATOM 1377 CD LYS A 88 12.208 -8.875 1.074 1.00 0.00 C ATOM 1378 CE LYS A 88 13.611 -9.432 1.238 1.00 0.00 C ATOM 1379 NZ LYS A 88 14.623 -8.358 1.421 1.00 0.00 N ATOM 0 H LYS A 88 8.113 -6.629 2.280 1.00 0.00 H new ATOM 0 HA LYS A 88 10.121 -7.064 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.692 -8.307 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.334 -6.931 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.501 -7.204 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.851 -8.628 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.502 -9.696 0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.159 -8.274 0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.636 -10.103 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.869 -10.027 0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.576 -8.754 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.462 -7.607 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.539 -7.962 2.379 1.00 0.00 H new ATOM 1393 N LYS A 89 10.385 -4.320 2.396 1.00 0.00 N ATOM 1394 CA LYS A 89 11.046 -3.023 2.356 1.00 0.00 C ATOM 1395 C LYS A 89 10.721 -2.213 3.598 1.00 0.00 C ATOM 1396 O LYS A 89 11.562 -1.477 4.095 1.00 0.00 O ATOM 1397 CB LYS A 89 10.668 -2.232 1.103 1.00 0.00 C ATOM 1398 CG LYS A 89 11.508 -2.581 -0.116 1.00 0.00 C ATOM 1399 CD LYS A 89 12.991 -2.557 0.217 1.00 0.00 C ATOM 1400 CE LYS A 89 13.856 -2.677 -1.025 1.00 0.00 C ATOM 1401 NZ LYS A 89 13.942 -1.394 -1.773 1.00 0.00 N ATOM 0 H LYS A 89 9.611 -4.423 1.740 1.00 0.00 H new ATOM 0 HA LYS A 89 12.119 -3.211 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.618 -2.412 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.771 -1.167 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.230 -3.569 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.301 -1.874 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.231 -1.630 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.222 -3.374 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.858 -2.997 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.448 -3.450 -1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.542 -1.521 -2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.989 -1.100 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.355 -0.662 -1.160 1.00 0.00 H new ATOM 1415 N TYR A 90 9.509 -2.367 4.110 1.00 0.00 N ATOM 1416 CA TYR A 90 9.093 -1.657 5.313 1.00 0.00 C ATOM 1417 C TYR A 90 9.889 -2.150 6.525 1.00 0.00 C ATOM 1418 O TYR A 90 9.915 -1.508 7.570 1.00 0.00 O ATOM 1419 CB TYR A 90 7.590 -1.837 5.533 1.00 0.00 C ATOM 1420 CG TYR A 90 6.980 -0.871 6.528 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.767 0.458 6.182 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.609 -1.281 7.804 1.00 0.00 C ATOM 1423 CE1 TYR A 90 6.207 1.351 7.075 1.00 0.00 C ATOM 1424 CE2 TYR A 90 6.042 -0.392 8.703 1.00 0.00 C ATOM 1425 CZ TYR A 90 5.845 0.922 8.333 1.00 0.00 C ATOM 1426 OH TYR A 90 5.277 1.811 9.218 1.00 0.00 O ATOM 0 H TYR A 90 8.795 -2.977 3.712 1.00 0.00 H new ATOM 0 HA TYR A 90 9.297 -0.594 5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.080 -1.724 4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.405 -2.855 5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.045 0.799 5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.765 -2.308 8.099 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.054 2.381 6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.756 -0.727 9.689 1.00 0.00 H new ATOM 0 HH TYR A 90 5.325 2.717 8.848 1.00 0.00 H new ATOM 1436 N ARG A 91 10.525 -3.305 6.377 1.00 0.00 N ATOM 1437 CA ARG A 91 11.453 -3.801 7.385 1.00 0.00 C ATOM 1438 C ARG A 91 12.891 -3.409 7.037 1.00 0.00 C ATOM 1439 O ARG A 91 13.621 -2.875 7.874 1.00 0.00 O ATOM 1440 CB ARG A 91 11.344 -5.323 7.517 1.00 0.00 C ATOM 1441 CG ARG A 91 10.478 -5.779 8.683 1.00 0.00 C ATOM 1442 CD ARG A 91 9.052 -5.263 8.578 1.00 0.00 C ATOM 1443 NE ARG A 91 8.236 -5.694 9.716 1.00 0.00 N ATOM 1444 CZ ARG A 91 6.963 -5.344 9.903 1.00 0.00 C ATOM 1445 NH1 ARG A 91 6.350 -4.551 9.037 1.00 0.00 N ATOM 1446 NH2 ARG A 91 6.301 -5.790 10.964 1.00 0.00 N ATOM 0 H ARG A 91 10.415 -3.916 5.568 1.00 0.00 H new ATOM 0 HA ARG A 91 11.188 -3.346 8.339 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.935 -5.730 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.344 -5.741 7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.466 -6.868 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.919 -5.433 9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.061 -4.174 8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.603 -5.620 7.652 1.00 0.00 H new ATOM 0 HE ARG A 91 8.670 -6.302 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.852 -4.203 8.220 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.376 -4.288 9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.766 -6.400 11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.327 -5.522 11.107 1.00 0.00 H new ATOM 1460 N GLN A 92 13.281 -3.674 5.793 1.00 0.00 N ATOM 1461 CA GLN A 92 14.646 -3.429 5.323 1.00 0.00 C ATOM 1462 C GLN A 92 15.016 -1.939 5.336 1.00 0.00 C ATOM 1463 O GLN A 92 16.172 -1.582 5.577 1.00 0.00 O ATOM 1464 CB GLN A 92 14.802 -4.000 3.912 1.00 0.00 C ATOM 1465 CG GLN A 92 16.135 -3.683 3.249 1.00 0.00 C ATOM 1466 CD GLN A 92 16.260 -4.324 1.881 1.00 0.00 C ATOM 1467 OE1 GLN A 92 15.262 -4.573 1.207 1.00 0.00 O ATOM 1468 NE2 GLN A 92 17.485 -4.570 1.451 1.00 0.00 N ATOM 0 H GLN A 92 12.663 -4.064 5.082 1.00 0.00 H new ATOM 0 HA GLN A 92 15.329 -3.928 6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.680 -5.082 3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.998 -3.614 3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.244 -2.603 3.154 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.948 -4.030 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.287 -4.349 2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.629 -4.981 0.529 1.00 0.00 H new ATOM 1477 N LEU A 93 14.041 -1.076 5.072 1.00 0.00 N ATOM 1478 CA LEU A 93 14.284 0.366 5.010 1.00 0.00 C ATOM 1479 C LEU A 93 14.711 0.911 6.372 1.00 0.00 C ATOM 1480 O LEU A 93 15.487 1.867 6.456 1.00 0.00 O ATOM 1481 CB LEU A 93 13.024 1.093 4.528 1.00 0.00 C ATOM 1482 CG LEU A 93 13.156 2.612 4.369 1.00 0.00 C ATOM 1483 CD1 LEU A 93 14.161 2.949 3.279 1.00 0.00 C ATOM 1484 CD2 LEU A 93 11.803 3.229 4.053 1.00 0.00 C ATOM 0 H LEU A 93 13.073 -1.347 4.897 1.00 0.00 H new ATOM 0 HA LEU A 93 15.094 0.542 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.727 0.670 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.217 0.888 5.231 1.00 0.00 H new ATOM 0 HG LEU A 93 13.517 3.028 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.241 4.032 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.135 2.535 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.828 2.522 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.912 4.308 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.418 2.806 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.107 3.016 4.865 1.00 0.00 H new