USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 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: C 36 GLN :FLIP amide:sc= 0.0615 F(o=-1.4,f=-0.66) USER MOD Set 1.2: C 73 GLN :FLIP amide:sc= -0.721 X(o=-1,f=-0.66) USER MOD Set 2.1: C 43 LYS NZ :NH3+ 163:sc= 3.02 (180deg=0.835) USER MOD Set 2.2: C 54 SER OG : rot 180:sc= -0.812! USER MOD Set 3.1: A 13 CYS SG : rot -119:sc= -0.316! USER MOD Set 3.2: A 16 CYS SG : rot -90:sc= -1.05 USER MOD Set 3.3: A 29 CYS SG : rot 166:sc= -5.09! USER MOD Set 3.4: A 32 CYS SG : rot -47:sc= 0.556 USER MOD Set 3.5: A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -65:sc= 0.821 USER MOD Single : A 14 HIS : no HE2:sc= -7.18! C(o=-7.2!,f=-8.8!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0.0694 USER MOD Single : C 16 MET CE :methyl -161:sc= -0.102 (180deg=-0.527) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 180:sc= 0 USER MOD Single : C 28 THR OG1 : rot 54:sc= -2.57! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : C 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 38 ASN :FLIP amide:sc= -0.597 F(o=-1.4,f=-0.6) USER MOD Single : C 40 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0.453) USER MOD Single : C 45 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.073) USER MOD Single : C 49 SER OG : rot 180:sc= 0.148 USER MOD Single : C 51 SER OG : rot 180:sc= 0 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 57 GLN : amide:sc= -2.64 K(o=-2.6,f=-6!) USER MOD Single : C 61 TYR OH : rot 30:sc= -0.522 USER MOD Single : C 62 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : C 67 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ -161:sc= -0.0362 (180deg=-0.271) USER MOD Single : C 75 TYR OH : rot 15:sc= 0.117 USER MOD Single : C 76 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.047) USER MOD Single : C 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 137 N ARG A 10 -12.090 -9.238 8.114 1.00 0.00 N ATOM 138 CA ARG A 10 -12.187 -7.785 8.214 1.00 0.00 C ATOM 139 C ARG A 10 -11.326 -7.085 7.158 1.00 0.00 C ATOM 140 O ARG A 10 -10.114 -6.941 7.317 1.00 0.00 O ATOM 141 CB ARG A 10 -11.791 -7.325 9.623 1.00 0.00 C ATOM 142 CG ARG A 10 -10.450 -7.867 10.095 1.00 0.00 C ATOM 143 CD ARG A 10 -10.157 -7.471 11.531 1.00 0.00 C ATOM 144 NE ARG A 10 -10.986 -8.198 12.494 1.00 0.00 N ATOM 145 CZ ARG A 10 -10.966 -7.981 13.811 1.00 0.00 C ATOM 146 NH1 ARG A 10 -10.188 -7.034 14.324 1.00 0.00 N ATOM 147 NH2 ARG A 10 -11.723 -8.716 14.615 1.00 0.00 N ATOM 0 HA ARG A 10 -13.224 -7.506 8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.759 -6.236 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.564 -7.634 10.326 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.446 -8.954 10.009 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.658 -7.494 9.446 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.105 -7.657 11.748 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.322 -6.400 11.650 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.618 -8.915 12.137 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.602 -6.468 13.711 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.177 -6.873 15.331 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.320 -9.446 14.227 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.708 -8.551 15.621 1.00 0.00 H new ATOM 161 N TYR A 11 -11.954 -6.671 6.068 1.00 0.00 N ATOM 162 CA TYR A 11 -11.288 -5.855 5.060 1.00 0.00 C ATOM 163 C TYR A 11 -12.069 -4.593 4.827 1.00 0.00 C ATOM 164 O TYR A 11 -13.284 -4.573 4.995 1.00 0.00 O ATOM 165 CB TYR A 11 -11.145 -6.571 3.718 1.00 0.00 C ATOM 166 CG TYR A 11 -10.053 -7.594 3.682 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.062 -8.689 4.534 1.00 0.00 C ATOM 168 CD2 TYR A 11 -8.997 -7.443 2.800 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.039 -9.618 4.501 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.967 -8.361 2.763 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.991 -9.445 3.617 1.00 0.00 C ATOM 172 OH TYR A 11 -6.968 -10.361 3.581 1.00 0.00 O ATOM 0 H TYR A 11 -12.928 -6.887 5.857 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.291 -5.642 5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.090 -7.056 3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.959 -5.829 2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.877 -8.817 5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.979 -6.595 2.131 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.059 -10.473 5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.148 -8.232 2.071 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.484 -10.345 4.433 1.00 0.00 H new ATOM 182 N PHE A 12 -11.387 -3.548 4.429 1.00 0.00 N ATOM 183 CA PHE A 12 -12.070 -2.338 4.066 1.00 0.00 C ATOM 184 C PHE A 12 -11.694 -1.925 2.651 1.00 0.00 C ATOM 185 O PHE A 12 -10.523 -1.687 2.351 1.00 0.00 O ATOM 186 CB PHE A 12 -11.773 -1.214 5.057 1.00 0.00 C ATOM 187 CG PHE A 12 -12.713 -0.061 4.902 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.025 -0.172 5.335 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.295 1.118 4.302 1.00 0.00 C ATOM 190 CE1 PHE A 12 -14.905 0.884 5.171 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.169 2.176 4.140 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.476 2.059 4.572 1.00 0.00 C ATOM 0 H PHE A 12 -10.371 -3.513 4.350 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.142 -2.531 4.100 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.840 -1.601 6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.749 -0.868 4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.362 -1.086 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.275 1.210 3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.926 0.793 5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.831 3.092 3.677 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.163 2.882 4.443 1.00 0.00 H new ATOM 202 N CYS A 13 -12.683 -1.880 1.773 1.00 0.00 N ATOM 203 CA CYS A 13 -12.469 -1.400 0.425 1.00 0.00 C ATOM 204 C CYS A 13 -12.859 0.061 0.338 1.00 0.00 C ATOM 205 O CYS A 13 -14.017 0.419 0.552 1.00 0.00 O ATOM 206 CB CYS A 13 -13.257 -2.227 -0.588 1.00 0.00 C ATOM 207 SG CYS A 13 -13.885 -1.297 -2.012 1.00 0.00 S ATOM 0 H CYS A 13 -13.640 -2.171 1.973 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.411 -1.505 0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.619 -3.033 -0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.099 -2.693 -0.077 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.183 -1.363 -2.035 1.00 0.00 H new ATOM 212 N HIS A 14 -11.890 0.898 0.026 1.00 0.00 N ATOM 213 CA HIS A 14 -12.103 2.329 -0.024 1.00 0.00 C ATOM 214 C HIS A 14 -12.878 2.746 -1.272 1.00 0.00 C ATOM 215 O HIS A 14 -13.303 3.890 -1.385 1.00 0.00 O ATOM 216 CB HIS A 14 -10.763 3.049 0.044 1.00 0.00 C ATOM 217 CG HIS A 14 -9.861 2.811 -1.128 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.672 3.738 -2.124 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.065 1.763 -1.438 1.00 0.00 C ATOM 220 CE1 HIS A 14 -8.804 3.273 -2.994 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.412 2.075 -2.603 1.00 0.00 N ATOM 0 H HIS A 14 -10.939 0.607 -0.199 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.709 2.612 0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.946 4.120 0.132 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.245 2.739 0.952 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.134 4.646 -2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.962 0.849 -0.872 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.467 3.786 -3.882 1.00 0.00 H new ATOM 230 N CYS A 15 -13.047 1.823 -2.211 1.00 0.00 N ATOM 231 CA CYS A 15 -13.861 2.092 -3.388 1.00 0.00 C ATOM 232 C CYS A 15 -15.334 2.131 -2.997 1.00 0.00 C ATOM 233 O CYS A 15 -16.105 2.945 -3.502 1.00 0.00 O ATOM 234 CB CYS A 15 -13.619 1.060 -4.455 1.00 0.00 C ATOM 235 SG CYS A 15 -14.442 1.397 -6.030 1.00 0.00 S ATOM 0 H CYS A 15 -12.635 0.890 -2.181 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.578 3.062 -3.796 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -12.546 0.983 -4.630 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -13.953 0.090 -4.086 1.00 0.00 H new ATOM 0 HG CYS A 15 -14.165 0.449 -6.876 1.00 0.00 H new ATOM 241 N CYS A 16 -15.707 1.251 -2.073 1.00 0.00 N ATOM 242 CA CYS A 16 -17.063 1.221 -1.544 1.00 0.00 C ATOM 243 C CYS A 16 -17.166 2.112 -0.306 1.00 0.00 C ATOM 244 O CYS A 16 -18.218 2.670 -0.003 1.00 0.00 O ATOM 245 CB CYS A 16 -17.468 -0.216 -1.176 1.00 0.00 C ATOM 246 SG CYS A 16 -17.614 -1.356 -2.577 1.00 0.00 S ATOM 0 H CYS A 16 -15.085 0.547 -1.675 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.738 1.593 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.734 -0.616 -0.477 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.423 -0.185 -0.652 1.00 0.00 H new ATOM 0 HG CYS A 16 -18.831 -1.329 -3.033 1.00 0.00 H new ATOM 251 N SER A 17 -16.030 2.247 0.377 1.00 0.00 N ATOM 252 CA SER A 17 -15.935 2.906 1.679 1.00 0.00 C ATOM 253 C SER A 17 -16.855 2.222 2.686 1.00 0.00 C ATOM 254 O SER A 17 -17.387 2.852 3.598 1.00 0.00 O ATOM 255 CB SER A 17 -16.257 4.395 1.599 1.00 0.00 C ATOM 256 OG SER A 17 -15.885 4.940 0.339 1.00 0.00 O ATOM 0 H SER A 17 -15.135 1.896 0.036 1.00 0.00 H new ATOM 0 HA SER A 17 -14.901 2.815 2.012 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.324 4.547 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.734 4.925 2.395 1.00 0.00 H new ATOM 0 HG SER A 17 -16.105 5.895 0.318 1.00 0.00 H new ATOM 262 N VAL A 18 -17.023 0.920 2.511 1.00 0.00 N ATOM 263 CA VAL A 18 -17.796 0.098 3.428 1.00 0.00 C ATOM 264 C VAL A 18 -17.017 -1.185 3.692 1.00 0.00 C ATOM 265 O VAL A 18 -16.338 -1.686 2.790 1.00 0.00 O ATOM 266 CB VAL A 18 -19.184 -0.254 2.848 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.016 -1.013 3.866 1.00 0.00 C ATOM 268 CG2 VAL A 18 -19.921 0.995 2.381 1.00 0.00 C ATOM 0 H VAL A 18 -16.626 0.403 1.727 1.00 0.00 H new ATOM 0 HA VAL A 18 -17.956 0.657 4.350 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.028 -0.896 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.989 -1.250 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.505 -1.936 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.153 -0.398 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.894 0.714 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.059 1.672 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.338 1.493 1.607 1.00 0.00 H new ATOM 278 N GLU A 19 -17.092 -1.704 4.913 1.00 0.00 N ATOM 279 CA GLU A 19 -16.292 -2.860 5.290 1.00 0.00 C ATOM 280 C GLU A 19 -16.807 -4.128 4.615 1.00 0.00 C ATOM 281 O GLU A 19 -18.009 -4.288 4.386 1.00 0.00 O ATOM 282 CB GLU A 19 -16.255 -3.030 6.803 1.00 0.00 C ATOM 283 CG GLU A 19 -15.310 -4.101 7.244 1.00 0.00 C ATOM 284 CD GLU A 19 -15.334 -4.348 8.742 1.00 0.00 C ATOM 285 OE1 GLU A 19 -14.656 -3.608 9.481 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.036 -5.280 9.191 1.00 0.00 O ATOM 0 H GLU A 19 -17.695 -1.344 5.653 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.273 -2.685 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.966 -2.085 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.257 -3.266 7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.556 -5.028 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.298 -3.828 6.945 1.00 0.00 H new ATOM 293 N ILE A 20 -15.881 -5.021 4.297 1.00 0.00 N ATOM 294 CA ILE A 20 -16.183 -6.190 3.495 1.00 0.00 C ATOM 295 C ILE A 20 -15.571 -7.449 4.100 1.00 0.00 C ATOM 296 O ILE A 20 -14.712 -7.391 4.990 1.00 0.00 O ATOM 297 CB ILE A 20 -15.590 -6.061 2.070 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.115 -6.448 2.120 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.744 -4.647 1.561 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.483 -6.707 0.793 1.00 0.00 C ATOM 0 H ILE A 20 -14.906 -4.953 4.587 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.270 -6.260 3.462 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.123 -6.724 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.563 -5.651 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.010 -7.342 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.322 -4.573 0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -16.801 -4.385 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.219 -3.962 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.436 -6.974 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -14.003 -7.526 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.548 -5.810 0.178 1.00 0.00 H new ATOM 312 N VAL A 21 -16.023 -8.576 3.592 1.00 0.00 N ATOM 313 CA VAL A 21 -15.291 -9.812 3.672 1.00 0.00 C ATOM 314 C VAL A 21 -14.994 -10.253 2.248 1.00 0.00 C ATOM 315 O VAL A 21 -15.888 -10.625 1.484 1.00 0.00 O ATOM 316 CB VAL A 21 -16.055 -10.916 4.419 1.00 0.00 C ATOM 317 CG1 VAL A 21 -15.201 -12.166 4.526 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.480 -10.437 5.798 1.00 0.00 C ATOM 0 H VAL A 21 -16.918 -8.656 3.108 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.378 -9.643 4.242 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.954 -11.158 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.754 -12.940 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.949 -12.521 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.285 -11.936 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -17.019 -11.234 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.597 -10.166 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -17.129 -9.567 5.697 1.00 0.00 H new ATOM 328 N PRO A 22 -13.723 -10.176 1.894 1.00 0.00 N ATOM 329 CA PRO A 22 -13.236 -10.353 0.537 1.00 0.00 C ATOM 330 C PRO A 22 -13.343 -11.768 0.003 1.00 0.00 C ATOM 331 O PRO A 22 -13.711 -12.710 0.704 1.00 0.00 O ATOM 332 CB PRO A 22 -11.771 -9.974 0.628 1.00 0.00 C ATOM 333 CG PRO A 22 -11.419 -9.965 2.061 1.00 0.00 C ATOM 334 CD PRO A 22 -12.650 -9.923 2.841 1.00 0.00 C ATOM 0 HA PRO A 22 -13.835 -9.753 -0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.153 -10.688 0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.597 -8.995 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.841 -10.853 2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.795 -9.102 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.639 -10.674 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.775 -8.954 3.325 1.00 0.00 H new ATOM 342 N ARG A 23 -12.970 -11.885 -1.254 1.00 0.00 N ATOM 343 CA ARG A 23 -12.892 -13.128 -1.954 1.00 0.00 C ATOM 344 C ARG A 23 -11.413 -13.449 -2.112 1.00 0.00 C ATOM 345 O ARG A 23 -10.899 -13.680 -3.206 1.00 0.00 O ATOM 346 CB ARG A 23 -13.616 -12.986 -3.276 1.00 0.00 C ATOM 347 CG ARG A 23 -15.127 -13.047 -3.170 1.00 0.00 C ATOM 348 CD ARG A 23 -15.780 -12.202 -4.242 1.00 0.00 C ATOM 349 NE ARG A 23 -17.222 -12.046 -4.029 1.00 0.00 N ATOM 350 CZ ARG A 23 -18.060 -11.495 -4.912 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.619 -11.090 -6.096 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.346 -11.365 -4.612 1.00 0.00 N ATOM 0 H ARG A 23 -12.706 -11.083 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.371 -13.950 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.334 -12.037 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.279 -13.775 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.460 -14.081 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.441 -12.699 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.310 -11.219 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.607 -12.658 -5.217 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.612 -12.380 -3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.634 -11.198 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.265 -10.670 -6.765 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.694 -11.685 -3.708 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.987 -10.945 -5.285 1.00 0.00 H new ATOM 366 N LEU A 24 -10.765 -13.296 -0.959 1.00 0.00 N ATOM 367 CA LEU A 24 -9.346 -13.607 -0.666 1.00 0.00 C ATOM 368 C LEU A 24 -8.502 -14.154 -1.815 1.00 0.00 C ATOM 369 O LEU A 24 -7.509 -13.515 -2.146 1.00 0.00 O ATOM 370 CB LEU A 24 -9.246 -14.550 0.546 1.00 0.00 C ATOM 371 CG LEU A 24 -8.793 -13.929 1.872 1.00 0.00 C ATOM 372 CD1 LEU A 24 -7.323 -13.544 1.810 1.00 0.00 C ATOM 373 CD2 LEU A 24 -9.653 -12.730 2.227 1.00 0.00 C ATOM 0 H LEU A 24 -11.243 -12.925 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.910 -12.630 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.223 -15.007 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.554 -15.354 0.294 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.915 -14.675 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.021 -13.105 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.722 -14.432 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.170 -12.819 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.313 -12.305 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.572 -11.979 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.693 -13.044 2.323 1.00 0.00 H new ATOM 385 N PRO A 25 -8.815 -15.344 -2.397 1.00 0.00 N ATOM 386 CA PRO A 25 -8.058 -15.906 -3.528 1.00 0.00 C ATOM 387 C PRO A 25 -7.538 -14.850 -4.501 1.00 0.00 C ATOM 388 O PRO A 25 -6.444 -14.971 -5.052 1.00 0.00 O ATOM 389 CB PRO A 25 -9.106 -16.772 -4.205 1.00 0.00 C ATOM 390 CG PRO A 25 -9.912 -17.314 -3.079 1.00 0.00 C ATOM 391 CD PRO A 25 -9.912 -16.262 -2.002 1.00 0.00 C ATOM 0 HA PRO A 25 -7.160 -16.429 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.721 -16.190 -4.891 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.647 -17.571 -4.787 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.929 -17.537 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.484 -18.246 -2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.869 -15.742 -1.952 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.734 -16.697 -1.019 1.00 0.00 H new ATOM 399 N ASP A 26 -8.324 -13.805 -4.680 1.00 0.00 N ATOM 400 CA ASP A 26 -7.997 -12.741 -5.607 1.00 0.00 C ATOM 401 C ASP A 26 -7.700 -11.417 -4.902 1.00 0.00 C ATOM 402 O ASP A 26 -7.036 -10.548 -5.465 1.00 0.00 O ATOM 403 CB ASP A 26 -9.177 -12.529 -6.519 1.00 0.00 C ATOM 404 CG ASP A 26 -8.917 -12.931 -7.956 1.00 0.00 C ATOM 405 OD1 ASP A 26 -8.856 -14.149 -8.242 1.00 0.00 O ATOM 406 OD2 ASP A 26 -8.788 -12.031 -8.811 1.00 0.00 O ATOM 0 H ASP A 26 -9.207 -13.671 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.101 -13.040 -6.152 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.025 -13.099 -6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.462 -11.477 -6.491 1.00 0.00 H new ATOM 411 N TYR A 27 -8.219 -11.276 -3.677 1.00 0.00 N ATOM 412 CA TYR A 27 -8.207 -10.011 -2.947 1.00 0.00 C ATOM 413 C TYR A 27 -9.122 -9.009 -3.609 1.00 0.00 C ATOM 414 O TYR A 27 -8.781 -7.842 -3.803 1.00 0.00 O ATOM 415 CB TYR A 27 -6.814 -9.434 -2.798 1.00 0.00 C ATOM 416 CG TYR A 27 -6.005 -10.110 -1.727 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.510 -10.198 -0.449 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.743 -10.621 -1.977 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.783 -10.778 0.569 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.999 -11.200 -0.965 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.525 -11.272 0.311 1.00 0.00 C ATOM 422 OH TYR A 27 -3.787 -11.837 1.329 1.00 0.00 O ATOM 0 H TYR A 27 -8.660 -12.041 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.572 -10.224 -1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.289 -9.519 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.890 -8.371 -2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.494 -9.805 -0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.334 -10.567 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.199 -10.844 1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.014 -11.593 -1.170 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.922 -12.137 0.979 1.00 0.00 H new ATOM 432 N ILE A 28 -10.286 -9.500 -3.947 1.00 0.00 N ATOM 433 CA ILE A 28 -11.365 -8.685 -4.456 1.00 0.00 C ATOM 434 C ILE A 28 -12.315 -8.350 -3.335 1.00 0.00 C ATOM 435 O ILE A 28 -12.352 -9.024 -2.305 1.00 0.00 O ATOM 436 CB ILE A 28 -12.147 -9.436 -5.542 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.932 -10.926 -5.330 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.706 -8.987 -6.926 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.816 -11.829 -6.146 1.00 0.00 C ATOM 0 H ILE A 28 -10.517 -10.491 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.936 -7.777 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.212 -9.215 -5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.892 -11.162 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.087 -11.151 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.272 -9.531 -7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.887 -7.918 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.643 -9.190 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.582 -12.869 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.860 -11.631 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.648 -11.642 -7.206 1.00 0.00 H new ATOM 451 N CYS A 29 -13.106 -7.345 -3.569 1.00 0.00 N ATOM 452 CA CYS A 29 -14.114 -6.924 -2.633 1.00 0.00 C ATOM 453 C CYS A 29 -15.425 -7.555 -3.077 1.00 0.00 C ATOM 454 O CYS A 29 -15.652 -7.751 -4.256 1.00 0.00 O ATOM 455 CB CYS A 29 -14.144 -5.387 -2.657 1.00 0.00 C ATOM 456 SG CYS A 29 -15.651 -4.577 -2.065 1.00 0.00 S ATOM 0 H CYS A 29 -13.072 -6.787 -4.422 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.921 -7.237 -1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.308 -5.024 -2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.967 -5.062 -3.682 1.00 0.00 H new ATOM 0 HG CYS A 29 -15.415 -3.314 -1.865 1.00 0.00 H new ATOM 461 N PRO A 30 -16.288 -7.914 -2.138 1.00 0.00 N ATOM 462 CA PRO A 30 -17.513 -8.633 -2.436 1.00 0.00 C ATOM 463 C PRO A 30 -18.518 -7.639 -2.931 1.00 0.00 C ATOM 464 O PRO A 30 -19.461 -7.957 -3.649 1.00 0.00 O ATOM 465 CB PRO A 30 -17.913 -9.181 -1.066 1.00 0.00 C ATOM 466 CG PRO A 30 -17.458 -8.118 -0.124 1.00 0.00 C ATOM 467 CD PRO A 30 -16.194 -7.567 -0.722 1.00 0.00 C ATOM 0 HA PRO A 30 -17.426 -9.416 -3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.988 -9.346 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.430 -10.136 -0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.213 -7.339 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.277 -8.526 0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.123 -6.489 -0.580 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.310 -8.008 -0.261 1.00 0.00 H new ATOM 475 N ARG A 31 -18.259 -6.410 -2.528 1.00 0.00 N ATOM 476 CA ARG A 31 -19.130 -5.305 -2.843 1.00 0.00 C ATOM 477 C ARG A 31 -18.949 -4.771 -4.260 1.00 0.00 C ATOM 478 O ARG A 31 -19.914 -4.358 -4.895 1.00 0.00 O ATOM 479 CB ARG A 31 -18.961 -4.232 -1.835 1.00 0.00 C ATOM 480 CG ARG A 31 -19.425 -4.726 -0.505 1.00 0.00 C ATOM 481 CD ARG A 31 -19.285 -3.681 0.576 1.00 0.00 C ATOM 482 NE ARG A 31 -19.604 -4.210 1.903 1.00 0.00 N ATOM 483 CZ ARG A 31 -20.778 -4.046 2.511 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.768 -3.405 1.902 1.00 0.00 N ATOM 485 NH2 ARG A 31 -20.958 -4.526 3.733 1.00 0.00 N ATOM 0 H ARG A 31 -17.441 -6.155 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.152 -5.681 -2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.915 -3.931 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.531 -3.350 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.468 -5.033 -0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.851 -5.611 -0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.265 -3.296 0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -19.943 -2.841 0.354 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.882 -4.738 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.633 -3.034 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.664 -3.284 2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.199 -5.019 4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.855 -4.403 4.202 1.00 0.00 H new ATOM 499 N CYS A 32 -17.716 -4.777 -4.766 1.00 0.00 N ATOM 500 CA CYS A 32 -17.470 -4.249 -6.107 1.00 0.00 C ATOM 501 C CYS A 32 -16.548 -5.149 -6.933 1.00 0.00 C ATOM 502 O CYS A 32 -16.361 -4.917 -8.128 1.00 0.00 O ATOM 503 CB CYS A 32 -16.898 -2.824 -6.041 1.00 0.00 C ATOM 504 SG CYS A 32 -15.297 -2.680 -5.207 1.00 0.00 S ATOM 0 H CYS A 32 -16.891 -5.132 -4.282 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.436 -4.223 -6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -16.797 -2.442 -7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.616 -2.184 -5.529 1.00 0.00 H new ATOM 0 HG CYS A 32 -15.329 -3.343 -4.089 1.00 0.00 H new ATOM 509 N GLU A 33 -15.978 -6.175 -6.288 1.00 0.00 N ATOM 510 CA GLU A 33 -15.058 -7.109 -6.946 1.00 0.00 C ATOM 511 C GLU A 33 -13.869 -6.380 -7.566 1.00 0.00 C ATOM 512 O GLU A 33 -13.318 -6.798 -8.582 1.00 0.00 O ATOM 513 CB GLU A 33 -15.779 -7.972 -7.979 1.00 0.00 C ATOM 514 CG GLU A 33 -15.146 -9.344 -8.120 1.00 0.00 C ATOM 515 CD GLU A 33 -15.825 -10.215 -9.153 1.00 0.00 C ATOM 516 OE1 GLU A 33 -15.444 -10.153 -10.340 1.00 0.00 O ATOM 517 OE2 GLU A 33 -16.740 -10.973 -8.781 1.00 0.00 O ATOM 0 H GLU A 33 -16.141 -6.379 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.669 -7.776 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.824 -8.084 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.767 -7.467 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.096 -9.226 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.173 -9.850 -7.155 1.00 0.00 H new ATOM 524 N SER A 34 -13.486 -5.279 -6.943 1.00 0.00 N ATOM 525 CA SER A 34 -12.260 -4.592 -7.285 1.00 0.00 C ATOM 526 C SER A 34 -11.261 -4.746 -6.145 1.00 0.00 C ATOM 527 O SER A 34 -11.657 -4.793 -4.976 1.00 0.00 O ATOM 528 CB SER A 34 -12.538 -3.143 -7.565 1.00 0.00 C ATOM 529 OG SER A 34 -13.586 -2.997 -8.509 1.00 0.00 O ATOM 0 H SER A 34 -14.016 -4.840 -6.190 1.00 0.00 H new ATOM 0 HA SER A 34 -11.834 -5.031 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.806 -2.635 -6.638 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.635 -2.663 -7.942 1.00 0.00 H new ATOM 0 HG SER A 34 -13.749 -2.045 -8.673 1.00 0.00 H new ATOM 535 N GLY A 35 -9.980 -4.832 -6.479 1.00 0.00 N ATOM 536 CA GLY A 35 -8.965 -5.110 -5.478 1.00 0.00 C ATOM 537 C GLY A 35 -8.504 -3.873 -4.728 1.00 0.00 C ATOM 538 O GLY A 35 -7.309 -3.600 -4.638 1.00 0.00 O ATOM 0 H GLY A 35 -9.624 -4.714 -7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.358 -5.834 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.106 -5.574 -5.962 1.00 0.00 H new ATOM 542 N PHE A 36 -9.446 -3.132 -4.173 1.00 0.00 N ATOM 543 CA PHE A 36 -9.119 -1.935 -3.410 1.00 0.00 C ATOM 544 C PHE A 36 -9.368 -2.159 -1.926 1.00 0.00 C ATOM 545 O PHE A 36 -9.920 -1.295 -1.239 1.00 0.00 O ATOM 546 CB PHE A 36 -9.939 -0.744 -3.906 1.00 0.00 C ATOM 547 CG PHE A 36 -9.504 -0.226 -5.246 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.401 0.605 -5.351 1.00 0.00 C ATOM 549 CD2 PHE A 36 -10.203 -0.556 -6.394 1.00 0.00 C ATOM 550 CE1 PHE A 36 -8.001 1.097 -6.574 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.805 -0.070 -7.622 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.704 0.758 -7.711 1.00 0.00 C ATOM 0 H PHE A 36 -10.444 -3.335 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.061 -1.718 -3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.988 -1.035 -3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.871 0.062 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.847 0.871 -4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.068 -1.200 -6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.140 1.746 -6.642 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.354 -0.337 -8.513 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.393 1.141 -8.672 1.00 0.00 H new ATOM 562 N ILE A 37 -8.947 -3.314 -1.437 1.00 0.00 N ATOM 563 CA ILE A 37 -9.200 -3.700 -0.058 1.00 0.00 C ATOM 564 C ILE A 37 -7.923 -3.800 0.754 1.00 0.00 C ATOM 565 O ILE A 37 -6.912 -4.299 0.267 1.00 0.00 O ATOM 566 CB ILE A 37 -9.906 -5.056 0.019 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.215 -6.123 -0.837 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.328 -4.899 -0.391 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.908 -7.476 -0.803 1.00 0.00 C ATOM 0 H ILE A 37 -8.426 -4.004 -1.978 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.834 -2.916 0.356 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.855 -5.401 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.168 -5.774 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.187 -6.242 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.831 -5.864 -0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.823 -4.193 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.373 -4.524 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.363 -8.180 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.931 -7.847 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.927 -7.372 -1.175 1.00 0.00 H new ATOM 581 N GLU A 38 -7.985 -3.338 1.992 1.00 0.00 N ATOM 582 CA GLU A 38 -6.902 -3.535 2.939 1.00 0.00 C ATOM 583 C GLU A 38 -7.403 -4.353 4.114 1.00 0.00 C ATOM 584 O GLU A 38 -8.605 -4.391 4.387 1.00 0.00 O ATOM 585 CB GLU A 38 -6.354 -2.196 3.424 1.00 0.00 C ATOM 586 CG GLU A 38 -7.384 -1.330 4.126 1.00 0.00 C ATOM 587 CD GLU A 38 -6.756 -0.313 5.057 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.372 -0.698 6.180 1.00 0.00 O ATOM 589 OE2 GLU A 38 -6.645 0.872 4.681 1.00 0.00 O ATOM 0 H GLU A 38 -8.780 -2.820 2.366 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.093 -4.070 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.523 -2.379 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.953 -1.648 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.985 -0.811 3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.062 -1.967 4.694 1.00 0.00 H new ATOM 596 N GLU A 39 -6.487 -5.026 4.778 1.00 0.00 N ATOM 597 CA GLU A 39 -6.827 -5.891 5.890 1.00 0.00 C ATOM 598 C GLU A 39 -6.720 -5.138 7.213 1.00 0.00 C ATOM 599 O GLU A 39 -5.692 -4.526 7.524 1.00 0.00 O ATOM 600 CB GLU A 39 -5.917 -7.111 5.873 1.00 0.00 C ATOM 601 CG GLU A 39 -6.224 -8.132 6.932 1.00 0.00 C ATOM 602 CD GLU A 39 -5.325 -9.346 6.843 1.00 0.00 C ATOM 603 OE1 GLU A 39 -5.599 -10.240 6.017 1.00 0.00 O ATOM 604 OE2 GLU A 39 -4.328 -9.415 7.587 1.00 0.00 O ATOM 0 H GLU A 39 -5.490 -4.990 4.564 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.861 -6.222 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.988 -7.588 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.885 -6.781 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.116 -7.675 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.264 -8.446 6.839 1.00 0.00 H new ATOM 611 N LEU A 40 -7.790 -5.208 7.984 1.00 0.00 N ATOM 612 CA LEU A 40 -7.952 -4.406 9.188 1.00 0.00 C ATOM 613 C LEU A 40 -7.304 -5.086 10.389 1.00 0.00 C ATOM 614 O LEU A 40 -7.437 -6.319 10.519 1.00 0.00 O ATOM 615 CB LEU A 40 -9.446 -4.175 9.454 1.00 0.00 C ATOM 616 CG LEU A 40 -10.154 -3.101 8.597 1.00 0.00 C ATOM 617 CD1 LEU A 40 -9.537 -2.962 7.212 1.00 0.00 C ATOM 618 CD2 LEU A 40 -11.623 -3.445 8.459 1.00 0.00 C ATOM 619 OXT LEU A 40 -6.694 -4.380 11.221 1.00 0.00 O ATOM 0 H LEU A 40 -8.578 -5.827 7.793 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.457 -3.447 9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.966 -5.122 9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.565 -3.904 10.503 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.032 -2.147 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.071 -2.195 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.489 -2.678 7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.609 -3.913 6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.119 -2.686 7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.725 -4.417 7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.083 -3.480 9.447 1.00 0.00 H new ATOM 855 N MET C 16 16.450 -2.266 -6.207 1.00 0.00 N ATOM 856 CA MET C 16 15.807 -1.606 -7.344 1.00 0.00 C ATOM 857 C MET C 16 14.484 -2.265 -7.720 1.00 0.00 C ATOM 858 O MET C 16 14.451 -3.256 -8.448 1.00 0.00 O ATOM 859 CB MET C 16 16.746 -1.561 -8.557 1.00 0.00 C ATOM 860 CG MET C 16 17.979 -0.696 -8.338 1.00 0.00 C ATOM 861 SD MET C 16 19.072 -0.657 -9.772 1.00 0.00 S ATOM 862 CE MET C 16 19.598 -2.366 -9.845 1.00 0.00 C ATOM 0 HA MET C 16 15.587 -0.585 -7.033 1.00 0.00 H new ATOM 0 HB2 MET C 16 17.062 -2.576 -8.800 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.196 -1.184 -9.419 1.00 0.00 H new ATOM 0 HG2 MET C 16 17.666 0.320 -8.098 1.00 0.00 H new ATOM 0 HG3 MET C 16 18.531 -1.071 -7.476 1.00 0.00 H new ATOM 0 HE1 MET C 16 20.508 -2.441 -10.440 1.00 0.00 H new ATOM 0 HE2 MET C 16 19.792 -2.730 -8.836 1.00 0.00 H new ATOM 0 HE3 MET C 16 18.814 -2.969 -10.304 1.00 0.00 H new ATOM 872 N LEU C 17 13.388 -1.700 -7.223 1.00 0.00 N ATOM 873 CA LEU C 17 12.062 -2.142 -7.645 1.00 0.00 C ATOM 874 C LEU C 17 11.544 -1.200 -8.699 1.00 0.00 C ATOM 875 O LEU C 17 11.829 -0.004 -8.675 1.00 0.00 O ATOM 876 CB LEU C 17 11.020 -2.165 -6.541 1.00 0.00 C ATOM 877 CG LEU C 17 11.088 -3.247 -5.448 1.00 0.00 C ATOM 878 CD1 LEU C 17 12.380 -4.027 -5.461 1.00 0.00 C ATOM 879 CD2 LEU C 17 10.800 -2.639 -4.090 1.00 0.00 C ATOM 0 H LEU C 17 13.389 -0.945 -6.537 1.00 0.00 H new ATOM 0 HA LEU C 17 12.199 -3.164 -7.999 1.00 0.00 H new ATOM 0 HB2 LEU C 17 11.053 -1.196 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.043 -2.245 -7.018 1.00 0.00 H new ATOM 0 HG LEU C 17 10.312 -3.980 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU C 17 12.363 -4.773 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU C 17 12.495 -4.525 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU C 17 13.217 -3.347 -5.302 1.00 0.00 H new ATOM 0 HD21 LEU C 17 10.851 -3.415 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.538 -1.867 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU C 17 9.803 -2.198 -4.093 1.00 0.00 H new ATOM 891 N GLU C 18 10.752 -1.731 -9.589 1.00 0.00 N ATOM 892 CA GLU C 18 10.035 -0.913 -10.534 1.00 0.00 C ATOM 893 C GLU C 18 8.623 -0.820 -10.040 1.00 0.00 C ATOM 894 O GLU C 18 7.770 -1.632 -10.385 1.00 0.00 O ATOM 895 CB GLU C 18 10.088 -1.480 -11.926 1.00 0.00 C ATOM 896 CG GLU C 18 9.547 -0.538 -12.992 1.00 0.00 C ATOM 897 CD GLU C 18 9.548 -1.155 -14.374 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.586 -1.085 -15.065 1.00 0.00 O ATOM 899 OE2 GLU C 18 8.508 -1.710 -14.780 1.00 0.00 O ATOM 0 H GLU C 18 10.585 -2.733 -9.682 1.00 0.00 H new ATOM 0 HA GLU C 18 10.493 0.074 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU C 18 11.121 -1.732 -12.167 1.00 0.00 H new ATOM 0 HB3 GLU C 18 9.519 -2.409 -11.952 1.00 0.00 H new ATOM 0 HG2 GLU C 18 8.530 -0.246 -12.730 1.00 0.00 H new ATOM 0 HG3 GLU C 18 10.147 0.372 -13.005 1.00 0.00 H new ATOM 906 N VAL C 19 8.394 0.160 -9.198 1.00 0.00 N ATOM 907 CA VAL C 19 7.184 0.227 -8.448 1.00 0.00 C ATOM 908 C VAL C 19 6.083 0.723 -9.339 1.00 0.00 C ATOM 909 O VAL C 19 6.249 1.720 -10.015 1.00 0.00 O ATOM 910 CB VAL C 19 7.369 1.171 -7.250 1.00 0.00 C ATOM 911 CG1 VAL C 19 6.055 1.804 -6.839 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.954 0.447 -6.065 1.00 0.00 C ATOM 0 H VAL C 19 9.045 0.925 -9.021 1.00 0.00 H new ATOM 0 HA VAL C 19 6.924 -0.763 -8.073 1.00 0.00 H new ATOM 0 HB VAL C 19 8.060 1.951 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL C 19 6.220 2.466 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.651 2.378 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.347 1.024 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.072 1.144 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.287 -0.362 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.927 0.035 -6.334 1.00 0.00 H new ATOM 922 N LEU C 20 5.001 -0.001 -9.397 1.00 0.00 N ATOM 923 CA LEU C 20 3.832 0.478 -10.047 1.00 0.00 C ATOM 924 C LEU C 20 2.769 0.684 -8.989 1.00 0.00 C ATOM 925 O LEU C 20 2.762 -0.006 -7.978 1.00 0.00 O ATOM 926 CB LEU C 20 3.395 -0.522 -11.098 1.00 0.00 C ATOM 927 CG LEU C 20 4.454 -0.891 -12.137 1.00 0.00 C ATOM 928 CD1 LEU C 20 4.703 -2.385 -12.133 1.00 0.00 C ATOM 929 CD2 LEU C 20 4.023 -0.434 -13.522 1.00 0.00 C ATOM 0 H LEU C 20 4.913 -0.934 -8.995 1.00 0.00 H new ATOM 0 HA LEU C 20 4.016 1.424 -10.556 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.072 -1.433 -10.595 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.526 -0.120 -11.618 1.00 0.00 H new ATOM 0 HG LEU C 20 5.382 -0.383 -11.876 1.00 0.00 H new ATOM 0 HD11 LEU C 20 5.460 -2.630 -12.879 1.00 0.00 H new ATOM 0 HD12 LEU C 20 5.052 -2.693 -11.147 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.777 -2.909 -12.370 1.00 0.00 H new ATOM 0 HD21 LEU C 20 4.789 -0.705 -14.249 1.00 0.00 H new ATOM 0 HD22 LEU C 20 3.083 -0.917 -13.788 1.00 0.00 H new ATOM 0 HD23 LEU C 20 3.888 0.648 -13.523 1.00 0.00 H new ATOM 941 N VAL C 21 1.918 1.659 -9.199 1.00 0.00 N ATOM 942 CA VAL C 21 0.953 2.094 -8.201 1.00 0.00 C ATOM 943 C VAL C 21 -0.255 2.726 -8.906 1.00 0.00 C ATOM 944 O VAL C 21 -0.126 3.766 -9.551 1.00 0.00 O ATOM 945 CB VAL C 21 1.613 3.140 -7.263 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.615 3.783 -6.338 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.732 2.527 -6.445 1.00 0.00 C ATOM 0 H VAL C 21 1.870 2.182 -10.073 1.00 0.00 H new ATOM 0 HA VAL C 21 0.625 1.238 -7.612 1.00 0.00 H new ATOM 0 HB VAL C 21 2.027 3.910 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL C 21 1.123 4.507 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.151 4.290 -6.925 1.00 0.00 H new ATOM 0 HG13 VAL C 21 0.149 3.018 -5.717 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.171 3.289 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.334 1.718 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.497 2.133 -7.113 1.00 0.00 H new ATOM 957 N LYS C 22 -1.417 2.097 -8.802 1.00 0.00 N ATOM 958 CA LYS C 22 -2.606 2.585 -9.483 1.00 0.00 C ATOM 959 C LYS C 22 -3.487 3.353 -8.517 1.00 0.00 C ATOM 960 O LYS C 22 -3.266 3.350 -7.312 1.00 0.00 O ATOM 961 CB LYS C 22 -3.459 1.443 -10.048 1.00 0.00 C ATOM 962 CG LYS C 22 -2.738 0.401 -10.890 1.00 0.00 C ATOM 963 CD LYS C 22 -3.734 -0.610 -11.465 1.00 0.00 C ATOM 964 CE LYS C 22 -4.898 0.057 -12.182 1.00 0.00 C ATOM 965 NZ LYS C 22 -5.813 -0.949 -12.793 1.00 0.00 N ATOM 0 H LYS C 22 -1.561 1.249 -8.253 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.253 3.219 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -3.939 0.932 -9.213 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.253 1.880 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.199 0.891 -11.701 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -1.996 -0.117 -10.281 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.215 -1.271 -12.159 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.119 -1.234 -10.658 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -5.454 0.676 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -4.516 0.721 -12.957 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.595 -0.460 -13.274 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.287 -1.523 -13.483 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.196 -1.567 -12.049 1.00 0.00 H new ATOM 979 N THR C 23 -4.506 3.974 -9.068 1.00 0.00 N ATOM 980 CA THR C 23 -5.547 4.621 -8.295 1.00 0.00 C ATOM 981 C THR C 23 -6.880 3.909 -8.566 1.00 0.00 C ATOM 982 O THR C 23 -6.887 2.857 -9.205 1.00 0.00 O ATOM 983 CB THR C 23 -5.642 6.132 -8.633 1.00 0.00 C ATOM 984 OG1 THR C 23 -5.528 6.338 -10.048 1.00 0.00 O ATOM 985 CG2 THR C 23 -4.553 6.923 -7.914 1.00 0.00 C ATOM 0 H THR C 23 -4.638 4.046 -10.077 1.00 0.00 H new ATOM 0 HA THR C 23 -5.306 4.548 -7.235 1.00 0.00 H new ATOM 0 HB THR C 23 -6.615 6.487 -8.294 1.00 0.00 H new ATOM 0 HG1 THR C 23 -5.592 7.296 -10.245 1.00 0.00 H new ATOM 0 HG21 THR C 23 -4.642 7.979 -8.168 1.00 0.00 H new ATOM 0 HG22 THR C 23 -4.664 6.799 -6.837 1.00 0.00 H new ATOM 0 HG23 THR C 23 -3.574 6.557 -8.223 1.00 0.00 H new ATOM 1052 N THR C 28 -2.282 4.458 -13.495 1.00 0.00 N ATOM 1053 CA THR C 28 -1.304 3.499 -12.983 1.00 0.00 C ATOM 1054 C THR C 28 0.078 4.141 -13.124 1.00 0.00 C ATOM 1055 O THR C 28 0.540 4.344 -14.247 1.00 0.00 O ATOM 1056 CB THR C 28 -1.268 2.200 -13.803 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.504 1.487 -13.696 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.091 1.351 -13.346 1.00 0.00 C ATOM 0 HA THR C 28 -1.575 3.257 -11.955 1.00 0.00 H new ATOM 0 HB THR C 28 -1.136 2.445 -14.857 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.246 2.080 -13.938 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.062 0.428 -13.925 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.836 1.904 -13.496 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.204 1.112 -12.288 1.00 0.00 H new ATOM 1066 N ARG C 29 0.742 4.483 -12.038 1.00 0.00 N ATOM 1067 CA ARG C 29 2.033 5.145 -12.176 1.00 0.00 C ATOM 1068 C ARG C 29 3.152 4.359 -11.519 1.00 0.00 C ATOM 1069 O ARG C 29 2.908 3.529 -10.659 1.00 0.00 O ATOM 1070 CB ARG C 29 1.997 6.557 -11.606 1.00 0.00 C ATOM 1071 CG ARG C 29 1.070 7.507 -12.323 1.00 0.00 C ATOM 1072 CD ARG C 29 1.187 8.909 -11.746 1.00 0.00 C ATOM 1073 NE ARG C 29 0.359 9.886 -12.449 1.00 0.00 N ATOM 1074 CZ ARG C 29 0.619 11.193 -12.472 1.00 0.00 C ATOM 1075 NH1 ARG C 29 1.687 11.672 -11.845 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -0.182 12.018 -13.129 1.00 0.00 N ATOM 0 H ARG C 29 0.428 4.323 -11.081 1.00 0.00 H new ATOM 0 HA ARG C 29 2.237 5.199 -13.245 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.700 6.503 -10.559 1.00 0.00 H new ATOM 0 HB3 ARG C 29 3.006 6.969 -11.630 1.00 0.00 H new ATOM 0 HG2 ARG C 29 1.310 7.525 -13.386 1.00 0.00 H new ATOM 0 HG3 ARG C 29 0.042 7.156 -12.234 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.901 8.888 -10.694 1.00 0.00 H new ATOM 0 HD3 ARG C 29 2.229 9.227 -11.787 1.00 0.00 H new ATOM 0 HE ARG C 29 -0.463 9.549 -12.950 1.00 0.00 H new ATOM 0 HH11 ARG C 29 2.311 11.039 -11.344 1.00 0.00 H new ATOM 0 HH12 ARG C 29 1.884 12.673 -11.864 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -0.999 11.653 -13.618 1.00 0.00 H new ATOM 0 HH22 ARG C 29 0.018 13.018 -13.146 1.00 0.00 H new ATOM 1090 N THR C 30 4.382 4.617 -11.944 1.00 0.00 N ATOM 1091 CA THR C 30 5.523 3.940 -11.432 1.00 0.00 C ATOM 1092 C THR C 30 6.324 4.810 -10.467 1.00 0.00 C ATOM 1093 O THR C 30 6.398 6.027 -10.639 1.00 0.00 O ATOM 1094 CB THR C 30 6.411 3.548 -12.591 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.473 4.611 -13.553 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.937 2.272 -13.253 1.00 0.00 C ATOM 0 H THR C 30 4.597 5.311 -12.660 1.00 0.00 H new ATOM 0 HA THR C 30 5.178 3.065 -10.882 1.00 0.00 H new ATOM 0 HB THR C 30 7.409 3.365 -12.194 1.00 0.00 H new ATOM 0 HG1 THR C 30 7.052 4.345 -14.297 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.601 2.023 -14.081 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.945 1.460 -12.526 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.924 2.412 -13.630 1.00 0.00 H new ATOM 1104 N PHE C 31 6.944 4.176 -9.473 1.00 0.00 N ATOM 1105 CA PHE C 31 7.703 4.884 -8.450 1.00 0.00 C ATOM 1106 C PHE C 31 8.947 4.120 -8.102 1.00 0.00 C ATOM 1107 O PHE C 31 9.115 3.642 -6.981 1.00 0.00 O ATOM 1108 CB PHE C 31 6.878 5.061 -7.205 1.00 0.00 C ATOM 1109 CG PHE C 31 5.689 5.884 -7.439 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.858 7.140 -7.946 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.426 5.415 -7.168 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.775 7.950 -8.178 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.331 6.212 -7.395 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.502 7.489 -7.900 1.00 0.00 C ATOM 0 H PHE C 31 6.933 3.163 -9.356 1.00 0.00 H new ATOM 0 HA PHE C 31 7.971 5.862 -8.849 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.573 4.083 -6.832 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.489 5.522 -6.429 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.852 7.499 -8.166 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.294 4.417 -6.776 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.917 8.944 -8.576 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.339 5.843 -7.180 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.645 8.122 -8.076 1.00 0.00 H new ATOM 1124 N ILE C 32 9.796 3.998 -9.076 1.00 0.00 N ATOM 1125 CA ILE C 32 10.987 3.210 -8.958 1.00 0.00 C ATOM 1126 C ILE C 32 11.865 3.579 -7.794 1.00 0.00 C ATOM 1127 O ILE C 32 12.292 4.718 -7.606 1.00 0.00 O ATOM 1128 CB ILE C 32 11.762 3.229 -10.254 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.968 2.473 -11.219 1.00 0.00 C ATOM 1130 CG2 ILE C 32 13.095 2.556 -10.111 1.00 0.00 C ATOM 1131 CD1 ILE C 32 10.118 3.278 -12.172 1.00 0.00 C ATOM 0 H ILE C 32 9.681 4.447 -9.985 1.00 0.00 H new ATOM 0 HA ILE C 32 10.653 2.194 -8.748 1.00 0.00 H new ATOM 0 HB ILE C 32 11.939 4.259 -10.562 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.645 1.853 -11.807 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.315 1.797 -10.668 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.624 2.589 -11.064 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.683 3.071 -9.352 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.948 1.518 -9.814 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.578 2.603 -12.836 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.405 3.878 -11.606 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.756 3.935 -12.763 1.00 0.00 H new ATOM 1143 N VAL C 33 12.115 2.546 -7.037 1.00 0.00 N ATOM 1144 CA VAL C 33 12.893 2.620 -5.811 1.00 0.00 C ATOM 1145 C VAL C 33 13.951 1.545 -5.749 1.00 0.00 C ATOM 1146 O VAL C 33 14.188 0.831 -6.716 1.00 0.00 O ATOM 1147 CB VAL C 33 11.988 2.476 -4.588 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.157 3.704 -4.459 1.00 0.00 C ATOM 1149 CG2 VAL C 33 11.098 1.252 -4.714 1.00 0.00 C ATOM 0 H VAL C 33 11.781 1.606 -7.251 1.00 0.00 H new ATOM 0 HA VAL C 33 13.378 3.596 -5.809 1.00 0.00 H new ATOM 0 HB VAL C 33 12.605 2.349 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.506 3.613 -3.589 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.806 4.571 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.549 3.828 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.463 1.171 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.474 1.346 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.717 0.359 -4.799 1.00 0.00 H new ATOM 1159 N GLY C 34 14.560 1.429 -4.587 1.00 0.00 N ATOM 1160 CA GLY C 34 15.662 0.498 -4.418 1.00 0.00 C ATOM 1161 C GLY C 34 15.349 -0.653 -3.485 1.00 0.00 C ATOM 1162 O GLY C 34 16.191 -1.045 -2.685 1.00 0.00 O ATOM 0 H GLY C 34 14.316 1.961 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.941 0.098 -5.393 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.528 1.039 -4.036 1.00 0.00 H new ATOM 1166 N ALA C 35 14.130 -1.177 -3.594 1.00 0.00 N ATOM 1167 CA ALA C 35 13.669 -2.358 -2.852 1.00 0.00 C ATOM 1168 C ALA C 35 13.511 -2.114 -1.362 1.00 0.00 C ATOM 1169 O ALA C 35 12.497 -2.424 -0.776 1.00 0.00 O ATOM 1170 CB ALA C 35 14.571 -3.547 -3.069 1.00 0.00 C ATOM 0 H ALA C 35 13.418 -0.788 -4.212 1.00 0.00 H new ATOM 0 HA ALA C 35 12.681 -2.574 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.194 -4.398 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.593 -3.798 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.579 -3.305 -2.732 1.00 0.00 H new ATOM 1176 N GLN C 36 14.523 -1.570 -0.760 1.00 0.00 N ATOM 1177 CA GLN C 36 14.556 -1.377 0.671 1.00 0.00 C ATOM 1178 C GLN C 36 14.960 0.044 0.953 1.00 0.00 C ATOM 1179 O GLN C 36 15.471 0.366 2.025 1.00 0.00 O ATOM 1180 CB GLN C 36 15.540 -2.361 1.297 1.00 0.00 C ATOM 1181 CG GLN C 36 16.933 -2.289 0.693 1.00 0.00 C ATOM 1182 CD GLN C 36 17.620 -3.633 0.697 1.00 0.00 C ATOM 1183 OE1 GLN C 36 17.303 -4.450 1.680 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 18.425 -3.937 -0.184 1.00 0.00 N flip ATOM 0 H GLN C 36 15.359 -1.242 -1.244 1.00 0.00 H new ATOM 0 HA GLN C 36 13.573 -1.561 1.105 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.606 -2.166 2.367 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.153 -3.373 1.181 1.00 0.00 H new ATOM 0 HG2 GLN C 36 16.866 -1.919 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.534 -1.573 1.253 1.00 0.00 H new ATOM 0 HE21 GLN C 36 18.642 -3.273 -0.928 1.00 0.00 H new ATOM 0 HE22 GLN C 36 18.875 -4.852 -0.170 1.00 0.00 H new ATOM 1193 N MET C 37 14.719 0.885 -0.037 1.00 0.00 N ATOM 1194 CA MET C 37 15.137 2.258 0.015 1.00 0.00 C ATOM 1195 C MET C 37 14.392 3.011 1.103 1.00 0.00 C ATOM 1196 O MET C 37 14.960 3.335 2.141 1.00 0.00 O ATOM 1197 CB MET C 37 14.911 2.906 -1.333 1.00 0.00 C ATOM 1198 CG MET C 37 16.057 3.794 -1.749 1.00 0.00 C ATOM 1199 SD MET C 37 15.724 4.709 -3.264 1.00 0.00 S ATOM 1200 CE MET C 37 17.252 5.632 -3.435 1.00 0.00 C ATOM 0 H MET C 37 14.229 0.628 -0.894 1.00 0.00 H new ATOM 0 HA MET C 37 16.199 2.294 0.256 1.00 0.00 H new ATOM 0 HB2 MET C 37 14.766 2.130 -2.085 1.00 0.00 H new ATOM 0 HB3 MET C 37 13.994 3.494 -1.300 1.00 0.00 H new ATOM 0 HG2 MET C 37 16.274 4.498 -0.946 1.00 0.00 H new ATOM 0 HG3 MET C 37 16.950 3.184 -1.888 1.00 0.00 H new ATOM 0 HE1 MET C 37 17.205 6.251 -4.331 1.00 0.00 H new ATOM 0 HE2 MET C 37 17.393 6.268 -2.561 1.00 0.00 H new ATOM 0 HE3 MET C 37 18.089 4.938 -3.517 1.00 0.00 H new ATOM 1210 N ASN C 38 13.116 3.278 0.873 1.00 0.00 N ATOM 1211 CA ASN C 38 12.339 4.039 1.807 1.00 0.00 C ATOM 1212 C ASN C 38 11.047 3.357 2.165 1.00 0.00 C ATOM 1213 O ASN C 38 11.008 2.548 3.084 1.00 0.00 O ATOM 1214 CB ASN C 38 12.062 5.410 1.217 1.00 0.00 C ATOM 1215 CG ASN C 38 13.311 6.178 0.887 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.822 6.911 1.840 1.00 0.00 O flip ATOM 1217 ND2 ASN C 38 13.814 6.107 -0.232 1.00 0.00 N flip ATOM 0 H ASN C 38 12.606 2.974 0.043 1.00 0.00 H new ATOM 0 HA ASN C 38 12.913 4.132 2.729 1.00 0.00 H new ATOM 0 HB2 ASN C 38 11.465 5.295 0.312 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.464 5.987 1.922 1.00 0.00 H new ATOM 0 HD21 ASN C 38 13.383 5.523 -0.949 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.662 6.632 -0.444 1.00 0.00 H new ATOM 1224 N VAL C 39 10.017 3.676 1.407 1.00 0.00 N ATOM 1225 CA VAL C 39 8.636 3.405 1.768 1.00 0.00 C ATOM 1226 C VAL C 39 8.080 4.513 2.642 1.00 0.00 C ATOM 1227 O VAL C 39 6.950 4.951 2.465 1.00 0.00 O ATOM 1228 CB VAL C 39 8.400 2.029 2.408 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.003 2.181 3.842 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.310 1.325 1.661 1.00 0.00 C ATOM 0 H VAL C 39 10.117 4.140 0.504 1.00 0.00 H new ATOM 0 HA VAL C 39 8.091 3.378 0.825 1.00 0.00 H new ATOM 0 HB VAL C 39 9.322 1.450 2.361 1.00 0.00 H new ATOM 0 HG11 VAL C 39 7.840 1.197 4.281 1.00 0.00 H new ATOM 0 HG12 VAL C 39 8.796 2.694 4.387 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.084 2.764 3.905 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.135 0.347 2.109 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.395 1.915 1.711 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.605 1.200 0.619 1.00 0.00 H new ATOM 1240 N LYS C 40 8.903 4.988 3.548 1.00 0.00 N ATOM 1241 CA LYS C 40 8.542 6.034 4.444 1.00 0.00 C ATOM 1242 C LYS C 40 8.522 7.327 3.686 1.00 0.00 C ATOM 1243 O LYS C 40 7.477 7.916 3.413 1.00 0.00 O ATOM 1244 CB LYS C 40 9.559 6.111 5.579 1.00 0.00 C ATOM 1245 CG LYS C 40 10.130 4.785 6.031 1.00 0.00 C ATOM 1246 CD LYS C 40 11.454 4.485 5.354 1.00 0.00 C ATOM 1247 CE LYS C 40 12.354 3.622 6.225 1.00 0.00 C ATOM 1248 NZ LYS C 40 11.688 2.370 6.670 1.00 0.00 N ATOM 0 H LYS C 40 9.855 4.645 3.676 1.00 0.00 H new ATOM 0 HA LYS C 40 7.557 5.840 4.869 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.382 6.753 5.264 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.087 6.594 6.434 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.269 4.798 7.112 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.419 3.988 5.810 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.271 3.978 4.407 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.963 5.420 5.121 1.00 0.00 H new ATOM 0 HE2 LYS C 40 13.258 3.371 5.670 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.665 4.194 7.099 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 12.409 1.665 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 11.091 2.570 7.498 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 11.098 1.998 5.899 1.00 0.00 H new ATOM 1262 N GLU C 41 9.707 7.729 3.323 1.00 0.00 N ATOM 1263 CA GLU C 41 9.916 8.859 2.501 1.00 0.00 C ATOM 1264 C GLU C 41 9.318 8.650 1.115 1.00 0.00 C ATOM 1265 O GLU C 41 8.955 9.603 0.438 1.00 0.00 O ATOM 1266 CB GLU C 41 11.403 9.114 2.429 1.00 0.00 C ATOM 1267 CG GLU C 41 11.998 9.557 3.752 1.00 0.00 C ATOM 1268 CD GLU C 41 13.473 9.873 3.654 1.00 0.00 C ATOM 1269 OE1 GLU C 41 13.826 10.903 3.045 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.286 9.091 4.186 1.00 0.00 O ATOM 0 H GLU C 41 10.568 7.260 3.604 1.00 0.00 H new ATOM 0 HA GLU C 41 9.413 9.728 2.926 1.00 0.00 H new ATOM 0 HB2 GLU C 41 11.905 8.205 2.098 1.00 0.00 H new ATOM 0 HB3 GLU C 41 11.598 9.878 1.676 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.465 10.439 4.108 1.00 0.00 H new ATOM 0 HG3 GLU C 41 11.848 8.773 4.494 1.00 0.00 H new ATOM 1277 N PHE C 42 9.222 7.389 0.714 1.00 0.00 N ATOM 1278 CA PHE C 42 8.685 7.021 -0.583 1.00 0.00 C ATOM 1279 C PHE C 42 7.254 7.520 -0.736 1.00 0.00 C ATOM 1280 O PHE C 42 6.936 8.212 -1.702 1.00 0.00 O ATOM 1281 CB PHE C 42 8.763 5.497 -0.731 1.00 0.00 C ATOM 1282 CG PHE C 42 7.860 4.898 -1.770 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.550 4.578 -1.456 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.319 4.639 -3.047 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.711 4.019 -2.398 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.484 4.078 -3.997 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.177 3.769 -3.669 1.00 0.00 C ATOM 0 H PHE C 42 9.515 6.594 1.282 1.00 0.00 H new ATOM 0 HA PHE C 42 9.273 7.489 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE C 42 9.791 5.225 -0.969 1.00 0.00 H new ATOM 0 HB3 PHE C 42 8.529 5.044 0.232 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.180 4.769 -0.460 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.340 4.877 -3.306 1.00 0.00 H new ATOM 0 HE1 PHE C 42 4.691 3.778 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.853 3.882 -4.993 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.523 3.332 -4.409 1.00 0.00 H new ATOM 1297 N LYS C 43 6.396 7.191 0.229 1.00 0.00 N ATOM 1298 CA LYS C 43 5.007 7.612 0.155 1.00 0.00 C ATOM 1299 C LYS C 43 4.885 9.119 0.324 1.00 0.00 C ATOM 1300 O LYS C 43 4.089 9.775 -0.344 1.00 0.00 O ATOM 1301 CB LYS C 43 4.140 6.849 1.154 1.00 0.00 C ATOM 1302 CG LYS C 43 4.590 6.909 2.602 1.00 0.00 C ATOM 1303 CD LYS C 43 4.001 5.742 3.392 1.00 0.00 C ATOM 1304 CE LYS C 43 2.518 5.921 3.680 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.282 6.827 4.833 1.00 0.00 N ATOM 0 H LYS C 43 6.637 6.644 1.055 1.00 0.00 H new ATOM 0 HA LYS C 43 4.632 7.367 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS C 43 3.123 7.236 1.093 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.102 5.803 0.848 1.00 0.00 H new ATOM 0 HG2 LYS C 43 5.678 6.878 2.653 1.00 0.00 H new ATOM 0 HG3 LYS C 43 4.277 7.853 3.048 1.00 0.00 H new ATOM 0 HD2 LYS C 43 4.150 4.818 2.834 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.540 5.636 4.333 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.023 6.322 2.796 1.00 0.00 H new ATOM 0 HE3 LYS C 43 2.068 4.949 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.294 7.152 4.823 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 2.469 6.317 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 2.917 7.648 4.765 1.00 0.00 H new ATOM 1319 N GLU C 44 5.697 9.652 1.214 1.00 0.00 N ATOM 1320 CA GLU C 44 5.830 11.096 1.391 1.00 0.00 C ATOM 1321 C GLU C 44 6.178 11.787 0.064 1.00 0.00 C ATOM 1322 O GLU C 44 5.641 12.845 -0.255 1.00 0.00 O ATOM 1323 CB GLU C 44 6.912 11.366 2.434 1.00 0.00 C ATOM 1324 CG GLU C 44 6.721 12.640 3.247 1.00 0.00 C ATOM 1325 CD GLU C 44 7.080 13.907 2.492 1.00 0.00 C ATOM 1326 OE1 GLU C 44 8.289 14.193 2.344 1.00 0.00 O ATOM 1327 OE2 GLU C 44 6.158 14.634 2.063 1.00 0.00 O ATOM 0 H GLU C 44 6.287 9.102 1.839 1.00 0.00 H new ATOM 0 HA GLU C 44 4.878 11.504 1.731 1.00 0.00 H new ATOM 0 HB2 GLU C 44 6.954 10.519 3.119 1.00 0.00 H new ATOM 0 HB3 GLU C 44 7.877 11.416 1.930 1.00 0.00 H new ATOM 0 HG2 GLU C 44 5.682 12.702 3.569 1.00 0.00 H new ATOM 0 HG3 GLU C 44 7.331 12.580 4.148 1.00 0.00 H new ATOM 1334 N HIS C 45 7.070 11.182 -0.712 1.00 0.00 N ATOM 1335 CA HIS C 45 7.495 11.728 -1.978 1.00 0.00 C ATOM 1336 C HIS C 45 6.393 11.677 -3.035 1.00 0.00 C ATOM 1337 O HIS C 45 6.082 12.687 -3.665 1.00 0.00 O ATOM 1338 CB HIS C 45 8.710 10.956 -2.462 1.00 0.00 C ATOM 1339 CG HIS C 45 9.988 11.357 -1.794 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.101 10.546 -1.755 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.331 12.493 -1.143 1.00 0.00 C ATOM 1342 CE1 HIS C 45 12.070 11.163 -1.107 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.628 12.345 -0.727 1.00 0.00 N ATOM 0 H HIS C 45 7.515 10.296 -0.472 1.00 0.00 H new ATOM 0 HA HIS C 45 7.741 12.779 -1.826 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.542 9.892 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.814 11.098 -3.538 1.00 0.00 H new ATOM 0 HD2 HIS C 45 9.700 13.355 -0.982 1.00 0.00 H new ATOM 0 HE1 HIS C 45 13.057 10.767 -0.920 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.165 13.038 -0.207 1.00 0.00 H new ATOM 1352 N ILE C 46 5.798 10.502 -3.225 1.00 0.00 N ATOM 1353 CA ILE C 46 4.804 10.300 -4.273 1.00 0.00 C ATOM 1354 C ILE C 46 3.501 11.026 -3.950 1.00 0.00 C ATOM 1355 O ILE C 46 2.619 11.122 -4.801 1.00 0.00 O ATOM 1356 CB ILE C 46 4.515 8.804 -4.468 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.832 8.228 -3.237 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.806 8.056 -4.741 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.537 6.746 -3.344 1.00 0.00 C ATOM 0 H ILE C 46 5.989 9.672 -2.663 1.00 0.00 H new ATOM 0 HA ILE C 46 5.217 10.712 -5.194 1.00 0.00 H new ATOM 0 HB ILE C 46 3.848 8.689 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.464 8.402 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.899 8.764 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.591 6.996 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.272 8.451 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.485 8.182 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE C 46 3.050 6.405 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.879 6.566 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE C 46 4.469 6.199 -3.484 1.00 0.00 H new ATOM 1371 N ALA C 47 3.400 11.532 -2.715 1.00 0.00 N ATOM 1372 CA ALA C 47 2.236 12.272 -2.235 1.00 0.00 C ATOM 1373 C ALA C 47 1.653 13.238 -3.266 1.00 0.00 C ATOM 1374 O ALA C 47 0.443 13.408 -3.332 1.00 0.00 O ATOM 1375 CB ALA C 47 2.606 13.042 -0.980 1.00 0.00 C ATOM 0 H ALA C 47 4.136 11.436 -2.015 1.00 0.00 H new ATOM 0 HA ALA C 47 1.464 11.531 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.737 13.594 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA C 47 2.936 12.345 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.412 13.741 -1.206 1.00 0.00 H new ATOM 1381 N ALA C 48 2.492 13.875 -4.061 1.00 0.00 N ATOM 1382 CA ALA C 48 2.001 14.824 -5.050 1.00 0.00 C ATOM 1383 C ALA C 48 1.441 14.126 -6.277 1.00 0.00 C ATOM 1384 O ALA C 48 0.320 14.404 -6.706 1.00 0.00 O ATOM 1385 CB ALA C 48 3.099 15.756 -5.471 1.00 0.00 C ATOM 0 H ALA C 48 3.505 13.757 -4.045 1.00 0.00 H new ATOM 0 HA ALA C 48 1.196 15.388 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA C 48 2.716 16.459 -6.211 1.00 0.00 H new ATOM 0 HB2 ALA C 48 3.463 16.305 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.917 15.182 -5.906 1.00 0.00 H new ATOM 1391 N SER C 49 2.220 13.209 -6.832 1.00 0.00 N ATOM 1392 CA SER C 49 1.845 12.512 -8.044 1.00 0.00 C ATOM 1393 C SER C 49 0.616 11.647 -7.811 1.00 0.00 C ATOM 1394 O SER C 49 -0.169 11.395 -8.724 1.00 0.00 O ATOM 1395 CB SER C 49 3.017 11.669 -8.506 1.00 0.00 C ATOM 1396 OG SER C 49 4.094 11.748 -7.582 1.00 0.00 O ATOM 0 H SER C 49 3.125 12.931 -6.453 1.00 0.00 H new ATOM 0 HA SER C 49 1.592 13.238 -8.817 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.703 10.631 -8.616 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.349 12.007 -9.487 1.00 0.00 H new ATOM 0 HG SER C 49 4.838 11.195 -7.899 1.00 0.00 H new ATOM 1402 N VAL C 50 0.457 11.201 -6.576 1.00 0.00 N ATOM 1403 CA VAL C 50 -0.705 10.425 -6.184 1.00 0.00 C ATOM 1404 C VAL C 50 -1.759 11.324 -5.549 1.00 0.00 C ATOM 1405 O VAL C 50 -2.896 10.899 -5.342 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.310 9.283 -5.223 1.00 0.00 C ATOM 1407 CG1 VAL C 50 0.848 8.490 -5.808 1.00 0.00 C ATOM 1408 CG2 VAL C 50 0.054 9.809 -3.843 1.00 0.00 C ATOM 0 H VAL C 50 1.125 11.366 -5.823 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.131 9.976 -7.081 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.174 8.629 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL C 50 1.121 7.686 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL C 50 0.551 8.065 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL C 50 1.704 9.149 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL C 50 0.326 8.975 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.898 10.494 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.800 10.335 -3.417 1.00 0.00 H new ATOM 1418 N SER C 51 -1.369 12.576 -5.241 1.00 0.00 N ATOM 1419 CA SER C 51 -2.297 13.578 -4.730 1.00 0.00 C ATOM 1420 C SER C 51 -2.754 13.195 -3.332 1.00 0.00 C ATOM 1421 O SER C 51 -3.781 13.666 -2.837 1.00 0.00 O ATOM 1422 CB SER C 51 -3.490 13.742 -5.675 1.00 0.00 C ATOM 1423 OG SER C 51 -3.047 14.002 -7.000 1.00 0.00 O ATOM 0 H SER C 51 -0.410 12.909 -5.341 1.00 0.00 H new ATOM 0 HA SER C 51 -1.785 14.539 -4.675 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.099 12.838 -5.660 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.124 14.559 -5.331 1.00 0.00 H new ATOM 0 HG SER C 51 -3.823 14.102 -7.591 1.00 0.00 H new ATOM 1429 N ILE C 52 -1.971 12.334 -2.703 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.255 11.891 -1.361 1.00 0.00 C ATOM 1431 C ILE C 52 -1.026 12.040 -0.468 1.00 0.00 C ATOM 1432 O ILE C 52 -0.014 11.392 -0.709 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.682 10.412 -1.308 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.802 10.099 -2.306 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.128 10.091 0.109 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.185 10.371 -1.761 1.00 0.00 C ATOM 0 H ILE C 52 -1.128 11.929 -3.110 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.074 12.518 -1.009 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.831 9.792 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.652 10.693 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.735 9.051 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.435 9.047 0.166 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.302 10.265 0.799 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.968 10.731 0.380 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -5.929 10.128 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.355 9.757 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.270 11.424 -1.494 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.102 12.860 0.590 1.00 0.00 N ATOM 1449 CA PRO C 53 0.001 13.020 1.533 1.00 0.00 C ATOM 1450 C PRO C 53 0.235 11.748 2.321 1.00 0.00 C ATOM 1451 O PRO C 53 -0.709 11.021 2.593 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.440 14.122 2.471 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.717 14.673 1.930 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.269 13.659 0.966 1.00 0.00 C ATOM 0 HA PRO C 53 0.933 13.251 1.017 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.584 13.735 3.480 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.320 14.901 2.534 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.426 14.862 2.736 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.543 15.625 1.428 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.041 13.045 1.430 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -2.722 14.138 0.098 1.00 0.00 H new ATOM 1462 N SER C 54 1.480 11.492 2.699 1.00 0.00 N ATOM 1463 CA SER C 54 1.835 10.275 3.425 1.00 0.00 C ATOM 1464 C SER C 54 0.936 10.060 4.646 1.00 0.00 C ATOM 1465 O SER C 54 0.603 8.922 4.975 1.00 0.00 O ATOM 1466 CB SER C 54 3.314 10.295 3.840 1.00 0.00 C ATOM 1467 OG SER C 54 3.652 9.144 4.593 1.00 0.00 O ATOM 0 H SER C 54 2.267 12.114 2.515 1.00 0.00 H new ATOM 0 HA SER C 54 1.677 9.436 2.747 1.00 0.00 H new ATOM 0 HB2 SER C 54 3.943 10.348 2.951 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.517 11.190 4.428 1.00 0.00 H new ATOM 0 HG SER C 54 4.599 9.183 4.842 1.00 0.00 H new ATOM 1473 N GLU C 55 0.502 11.145 5.284 1.00 0.00 N ATOM 1474 CA GLU C 55 -0.341 11.031 6.474 1.00 0.00 C ATOM 1475 C GLU C 55 -1.710 10.436 6.135 1.00 0.00 C ATOM 1476 O GLU C 55 -2.320 9.751 6.956 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.510 12.383 7.156 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.966 13.459 6.221 1.00 0.00 C ATOM 1479 CD GLU C 55 -1.242 14.770 6.924 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -0.287 15.532 7.162 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -2.417 15.044 7.244 1.00 0.00 O ATOM 0 H GLU C 55 0.716 12.102 5.002 1.00 0.00 H new ATOM 0 HA GLU C 55 0.163 10.354 7.164 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -1.231 12.286 7.968 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.438 12.678 7.605 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.205 13.615 5.456 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.870 13.130 5.709 1.00 0.00 H new ATOM 1488 N LYS C 56 -2.174 10.686 4.919 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.464 10.183 4.463 1.00 0.00 C ATOM 1490 C LYS C 56 -3.270 8.957 3.576 1.00 0.00 C ATOM 1491 O LYS C 56 -4.162 8.121 3.445 1.00 0.00 O ATOM 1492 CB LYS C 56 -4.204 11.274 3.680 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.480 12.537 4.486 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.020 13.664 3.611 1.00 0.00 C ATOM 1495 CE LYS C 56 -6.331 13.282 2.942 1.00 0.00 C ATOM 1496 NZ LYS C 56 -6.863 14.365 2.073 1.00 0.00 N ATOM 0 H LYS C 56 -1.672 11.239 4.224 1.00 0.00 H new ATOM 0 HA LYS C 56 -4.056 9.900 5.334 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.616 11.538 2.801 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -5.151 10.870 3.321 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -5.198 12.314 5.275 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.562 12.864 4.974 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -5.169 14.556 4.219 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -4.283 13.917 2.849 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -6.182 12.382 2.345 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -7.068 13.039 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -7.757 14.056 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -7.032 15.217 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -6.173 14.581 1.325 1.00 0.00 H new ATOM 1510 N GLN C 57 -2.087 8.862 2.986 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.787 7.848 1.988 1.00 0.00 C ATOM 1512 C GLN C 57 -1.557 6.483 2.613 1.00 0.00 C ATOM 1513 O GLN C 57 -0.651 6.296 3.427 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.556 8.255 1.166 1.00 0.00 C ATOM 1515 CG GLN C 57 -0.067 7.169 0.225 1.00 0.00 C ATOM 1516 CD GLN C 57 0.817 7.688 -0.895 1.00 0.00 C ATOM 1517 OE1 GLN C 57 0.862 7.099 -1.963 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.512 8.796 -0.678 1.00 0.00 N ATOM 0 H GLN C 57 -1.307 9.488 3.187 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.656 7.774 1.334 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.796 9.146 0.586 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.252 8.525 1.846 1.00 0.00 H new ATOM 0 HG2 GLN C 57 0.486 6.425 0.798 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.928 6.661 -0.209 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.454 9.266 0.225 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.105 9.179 -1.415 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.391 5.543 2.221 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.194 4.145 2.566 1.00 0.00 C ATOM 1529 C ARG C 58 -1.904 3.351 1.300 1.00 0.00 C ATOM 1530 O ARG C 58 -2.686 3.387 0.354 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.430 3.569 3.268 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.623 4.053 4.699 1.00 0.00 C ATOM 1533 CD ARG C 58 -4.829 3.387 5.347 1.00 0.00 C ATOM 1534 NE ARG C 58 -4.943 3.699 6.774 1.00 0.00 N ATOM 1535 CZ ARG C 58 -5.564 2.916 7.660 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -6.145 1.791 7.267 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -5.605 3.262 8.942 1.00 0.00 N ATOM 0 H ARG C 58 -3.222 5.722 1.657 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.351 4.072 3.253 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.316 3.827 2.687 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.357 2.481 3.272 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.728 3.837 5.283 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.755 5.135 4.705 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -5.736 3.708 4.835 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -4.756 2.307 5.219 1.00 0.00 H new ATOM 0 HE ARG C 58 -4.523 4.566 7.111 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -6.119 1.520 6.284 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -6.618 1.196 7.948 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -5.162 4.127 9.251 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -6.080 2.663 9.617 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.773 2.662 1.262 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.438 1.835 0.107 1.00 0.00 C ATOM 1553 C LEU C 59 -0.986 0.428 0.309 1.00 0.00 C ATOM 1554 O LEU C 59 -0.573 -0.259 1.218 1.00 0.00 O ATOM 1555 CB LEU C 59 1.079 1.784 -0.058 1.00 0.00 C ATOM 1556 CG LEU C 59 1.763 3.129 -0.173 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.248 2.994 0.113 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.532 3.666 -1.554 1.00 0.00 C ATOM 0 H LEU C 59 -0.077 2.657 2.008 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.883 2.264 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.503 1.251 0.793 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.312 1.199 -0.948 1.00 0.00 H new ATOM 0 HG LEU C 59 1.348 3.821 0.560 1.00 0.00 H new ATOM 0 HD11 LEU C 59 3.725 3.970 0.026 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.391 2.609 1.123 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.696 2.306 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.019 4.636 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU C 59 1.947 2.975 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.462 3.778 -1.726 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.946 0.002 -0.491 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.406 -1.377 -0.389 1.00 0.00 C ATOM 1572 C ILE C 60 -1.958 -2.196 -1.573 1.00 0.00 C ATOM 1573 O ILE C 60 -2.210 -1.840 -2.725 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.926 -1.497 -0.318 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.502 -0.459 0.622 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.314 -2.899 0.138 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.974 -0.260 0.401 1.00 0.00 C ATOM 0 H ILE C 60 -2.413 0.568 -1.199 1.00 0.00 H new ATOM 0 HA ILE C 60 -1.967 -1.749 0.537 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.337 -1.320 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.328 -0.766 1.653 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.982 0.488 0.480 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.400 -2.978 0.187 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -3.928 -3.632 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.892 -3.091 1.124 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.348 0.492 1.095 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.147 0.073 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.498 -1.201 0.569 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.312 -3.299 -1.285 1.00 0.00 N ATOM 1590 CA TYR C 61 -1.028 -4.284 -2.294 1.00 0.00 C ATOM 1591 C TYR C 61 -1.251 -5.666 -1.704 1.00 0.00 C ATOM 1592 O TYR C 61 -0.735 -5.973 -0.630 1.00 0.00 O ATOM 1593 CB TYR C 61 0.394 -4.140 -2.844 1.00 0.00 C ATOM 1594 CG TYR C 61 0.644 -5.070 -4.000 1.00 0.00 C ATOM 1595 CD1 TYR C 61 -0.196 -5.045 -5.098 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.685 -5.983 -3.989 1.00 0.00 C ATOM 1597 CE1 TYR C 61 -0.015 -5.905 -6.158 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.882 -6.848 -5.050 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.024 -6.807 -6.131 1.00 0.00 C ATOM 1600 OH TYR C 61 1.205 -7.673 -7.190 1.00 0.00 O ATOM 0 H TYR C 61 -0.972 -3.536 -0.353 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.702 -4.133 -3.137 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.557 -3.111 -3.164 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.113 -4.345 -2.051 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -1.011 -4.336 -5.125 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.352 -6.020 -3.140 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.684 -5.872 -7.005 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.702 -7.551 -5.033 1.00 0.00 H new ATOM 0 HH TYR C 61 0.886 -7.252 -8.015 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.058 -6.472 -2.389 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.410 -7.812 -1.924 1.00 0.00 C ATOM 1612 C GLN C 62 -3.127 -7.741 -0.575 1.00 0.00 C ATOM 1613 O GLN C 62 -2.931 -8.590 0.298 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.164 -8.696 -1.825 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.400 -8.809 -3.134 1.00 0.00 C ATOM 1616 CD GLN C 62 0.804 -9.717 -3.024 1.00 0.00 C ATOM 1617 OE1 GLN C 62 1.406 -9.844 -1.960 1.00 0.00 O ATOM 1618 NE2 GLN C 62 1.168 -10.347 -4.126 1.00 0.00 N ATOM 0 H GLN C 62 -2.485 -6.216 -3.279 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.088 -8.259 -2.651 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.501 -8.293 -1.059 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.460 -9.693 -1.498 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.067 -9.187 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.076 -7.817 -3.449 1.00 0.00 H new ATOM 0 HE21 GLN C 62 0.640 -10.213 -4.988 1.00 0.00 H new ATOM 0 HE22 GLN C 62 1.977 -10.968 -4.115 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.936 -6.698 -0.405 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.696 -6.522 0.823 1.00 0.00 C ATOM 1629 C GLY C 63 -3.822 -6.137 1.998 1.00 0.00 C ATOM 1630 O GLY C 63 -4.306 -6.003 3.121 1.00 0.00 O ATOM 0 H GLY C 63 -4.080 -5.966 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.453 -5.753 0.670 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.224 -7.447 1.055 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.531 -5.971 1.745 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.593 -5.601 2.791 1.00 0.00 C ATOM 1636 C ARG C 64 -1.519 -4.090 2.890 1.00 0.00 C ATOM 1637 O ARG C 64 -1.481 -3.403 1.867 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.191 -6.155 2.509 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.117 -7.665 2.342 1.00 0.00 C ATOM 1640 CD ARG C 64 -0.619 -8.393 3.574 1.00 0.00 C ATOM 1641 NE ARG C 64 -1.887 -9.071 3.322 1.00 0.00 N ATOM 1642 CZ ARG C 64 -2.752 -9.407 4.277 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -2.515 -9.068 5.538 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -3.851 -10.086 3.971 1.00 0.00 N ATOM 0 H ARG C 64 -2.111 -6.087 0.823 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.948 -6.027 3.729 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.193 -5.685 1.604 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.470 -5.862 3.325 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -0.708 -7.964 1.477 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.913 -7.958 2.141 1.00 0.00 H new ATOM 0 HD2 ARG C 64 0.126 -9.122 3.895 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -0.742 -7.683 4.391 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.125 -9.301 2.357 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -1.670 -8.550 5.776 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -3.178 -9.326 6.269 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.034 -10.351 3.003 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -4.513 -10.343 4.704 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.494 -3.567 4.105 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.424 -2.130 4.292 1.00 0.00 C ATOM 1660 C VAL C 65 0.037 -1.701 4.329 1.00 0.00 C ATOM 1661 O VAL C 65 0.658 -1.653 5.394 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.106 -1.680 5.600 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.629 -0.253 5.476 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.214 -2.639 6.000 1.00 0.00 C ATOM 0 H VAL C 65 -1.521 -4.111 4.968 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.949 -1.663 3.459 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.357 -1.695 6.392 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.106 0.042 6.411 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.800 0.421 5.263 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.356 -0.201 4.666 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.676 -2.295 6.926 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.965 -2.676 5.211 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.797 -3.635 6.151 1.00 0.00 H new ATOM 1674 N LEU C 66 0.586 -1.405 3.167 1.00 0.00 N ATOM 1675 CA LEU C 66 1.972 -0.987 3.062 1.00 0.00 C ATOM 1676 C LEU C 66 2.083 0.460 3.516 1.00 0.00 C ATOM 1677 O LEU C 66 1.344 1.325 3.042 1.00 0.00 O ATOM 1678 CB LEU C 66 2.500 -1.108 1.622 1.00 0.00 C ATOM 1679 CG LEU C 66 1.679 -1.959 0.641 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.293 -1.871 -0.742 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.585 -3.413 1.081 1.00 0.00 C ATOM 0 H LEU C 66 0.090 -1.446 2.277 1.00 0.00 H new ATOM 0 HA LEU C 66 2.574 -1.641 3.693 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.585 -0.103 1.208 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.508 -1.521 1.666 1.00 0.00 H new ATOM 0 HG LEU C 66 0.664 -1.562 0.623 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.710 -2.475 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.293 -0.833 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.317 -2.242 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU C 66 0.995 -3.975 0.357 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.586 -3.840 1.143 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.106 -3.467 2.059 1.00 0.00 H new ATOM 1693 N GLN C 67 2.989 0.735 4.431 1.00 0.00 N ATOM 1694 CA GLN C 67 3.078 2.067 4.997 1.00 0.00 C ATOM 1695 C GLN C 67 4.528 2.415 5.351 1.00 0.00 C ATOM 1696 O GLN C 67 5.420 1.580 5.232 1.00 0.00 O ATOM 1697 CB GLN C 67 2.193 2.144 6.242 1.00 0.00 C ATOM 1698 CG GLN C 67 2.534 1.100 7.293 1.00 0.00 C ATOM 1699 CD GLN C 67 1.520 1.045 8.418 1.00 0.00 C ATOM 1700 OE1 GLN C 67 0.884 2.044 8.755 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.358 -0.126 9.006 1.00 0.00 N ATOM 0 H GLN C 67 3.666 0.065 4.796 1.00 0.00 H new ATOM 0 HA GLN C 67 2.733 2.790 4.258 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.286 3.136 6.683 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.151 2.023 5.946 1.00 0.00 H new ATOM 0 HG2 GLN C 67 2.597 0.121 6.819 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.518 1.317 7.708 1.00 0.00 H new ATOM 0 HE21 GLN C 67 1.904 -0.931 8.698 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.687 -0.226 9.768 1.00 0.00 H new ATOM 1710 N ASP C 68 4.730 3.646 5.823 1.00 0.00 N ATOM 1711 CA ASP C 68 6.051 4.204 6.124 1.00 0.00 C ATOM 1712 C ASP C 68 6.764 3.495 7.281 1.00 0.00 C ATOM 1713 O ASP C 68 7.885 3.849 7.630 1.00 0.00 O ATOM 1714 CB ASP C 68 5.937 5.708 6.440 1.00 0.00 C ATOM 1715 CG ASP C 68 4.840 6.024 7.432 1.00 0.00 C ATOM 1716 OD1 ASP C 68 3.656 6.024 7.024 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.146 6.282 8.612 1.00 0.00 O ATOM 0 H ASP C 68 3.967 4.296 6.011 1.00 0.00 H new ATOM 0 HA ASP C 68 6.655 4.047 5.231 1.00 0.00 H new ATOM 0 HB2 ASP C 68 6.889 6.064 6.834 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.751 6.254 5.515 1.00 0.00 H new ATOM 1722 N ASP C 69 6.119 2.516 7.888 1.00 0.00 N ATOM 1723 CA ASP C 69 6.674 1.860 9.069 1.00 0.00 C ATOM 1724 C ASP C 69 7.713 0.784 8.713 1.00 0.00 C ATOM 1725 O ASP C 69 8.463 0.331 9.580 1.00 0.00 O ATOM 1726 CB ASP C 69 5.543 1.248 9.896 1.00 0.00 C ATOM 1727 CG ASP C 69 6.016 0.666 11.214 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.407 1.444 12.109 1.00 0.00 O ATOM 1729 OD2 ASP C 69 5.976 -0.574 11.372 1.00 0.00 O ATOM 0 H ASP C 69 5.213 2.155 7.588 1.00 0.00 H new ATOM 0 HA ASP C 69 7.193 2.621 9.652 1.00 0.00 H new ATOM 0 HB2 ASP C 69 4.791 2.012 10.092 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.058 0.465 9.313 1.00 0.00 H new ATOM 1734 N LYS C 70 7.784 0.387 7.442 1.00 0.00 N ATOM 1735 CA LYS C 70 8.635 -0.745 7.054 1.00 0.00 C ATOM 1736 C LYS C 70 9.517 -0.414 5.846 1.00 0.00 C ATOM 1737 O LYS C 70 9.864 0.744 5.618 1.00 0.00 O ATOM 1738 CB LYS C 70 7.771 -1.971 6.737 1.00 0.00 C ATOM 1739 CG LYS C 70 6.696 -2.244 7.778 1.00 0.00 C ATOM 1740 CD LYS C 70 6.190 -3.680 7.717 1.00 0.00 C ATOM 1741 CE LYS C 70 7.260 -4.670 8.154 1.00 0.00 C ATOM 1742 NZ LYS C 70 6.757 -6.068 8.174 1.00 0.00 N ATOM 0 H LYS C 70 7.273 0.822 6.673 1.00 0.00 H new ATOM 0 HA LYS C 70 9.290 -0.961 7.898 1.00 0.00 H new ATOM 0 HB2 LYS C 70 7.297 -1.830 5.766 1.00 0.00 H new ATOM 0 HB3 LYS C 70 8.415 -2.847 6.653 1.00 0.00 H new ATOM 0 HG2 LYS C 70 7.095 -2.043 8.772 1.00 0.00 H new ATOM 0 HG3 LYS C 70 5.862 -1.559 7.625 1.00 0.00 H new ATOM 0 HD2 LYS C 70 5.313 -3.785 8.356 1.00 0.00 H new ATOM 0 HD3 LYS C 70 5.873 -3.912 6.700 1.00 0.00 H new ATOM 0 HE2 LYS C 70 8.113 -4.602 7.479 1.00 0.00 H new ATOM 0 HE3 LYS C 70 7.618 -4.400 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 7.519 -6.707 8.477 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 5.960 -6.141 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 6.439 -6.336 7.221 1.00 0.00 H new ATOM 1756 N LYS C 71 9.910 -1.449 5.100 1.00 0.00 N ATOM 1757 CA LYS C 71 10.676 -1.277 3.865 1.00 0.00 C ATOM 1758 C LYS C 71 9.788 -1.607 2.668 1.00 0.00 C ATOM 1759 O LYS C 71 8.632 -1.980 2.849 1.00 0.00 O ATOM 1760 CB LYS C 71 11.921 -2.180 3.833 1.00 0.00 C ATOM 1761 CG LYS C 71 13.013 -1.830 4.840 1.00 0.00 C ATOM 1762 CD LYS C 71 12.603 -2.140 6.271 1.00 0.00 C ATOM 1763 CE LYS C 71 13.801 -2.155 7.206 1.00 0.00 C ATOM 1764 NZ LYS C 71 14.691 -3.322 6.948 1.00 0.00 N ATOM 0 H LYS C 71 9.708 -2.421 5.333 1.00 0.00 H new ATOM 0 HA LYS C 71 11.009 -0.240 3.821 1.00 0.00 H new ATOM 0 HB2 LYS C 71 11.607 -3.209 4.007 1.00 0.00 H new ATOM 0 HB3 LYS C 71 12.349 -2.143 2.831 1.00 0.00 H new ATOM 0 HG2 LYS C 71 13.919 -2.384 4.596 1.00 0.00 H new ATOM 0 HG3 LYS C 71 13.255 -0.771 4.756 1.00 0.00 H new ATOM 0 HD2 LYS C 71 11.883 -1.396 6.613 1.00 0.00 H new ATOM 0 HD3 LYS C 71 12.102 -3.108 6.305 1.00 0.00 H new ATOM 0 HE2 LYS C 71 14.368 -1.232 7.085 1.00 0.00 H new ATOM 0 HE3 LYS C 71 13.455 -2.183 8.239 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 15.297 -3.486 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 14.112 -4.167 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 15.286 -3.128 6.117 1.00 0.00 H new ATOM 1778 N LEU C 72 10.324 -1.511 1.457 1.00 0.00 N ATOM 1779 CA LEU C 72 9.526 -1.787 0.265 1.00 0.00 C ATOM 1780 C LEU C 72 9.539 -3.282 -0.064 1.00 0.00 C ATOM 1781 O LEU C 72 8.547 -3.836 -0.541 1.00 0.00 O ATOM 1782 CB LEU C 72 10.053 -0.972 -0.923 1.00 0.00 C ATOM 1783 CG LEU C 72 9.985 0.546 -0.759 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.248 1.202 -1.288 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.766 1.095 -1.481 1.00 0.00 C ATOM 0 H LEU C 72 11.292 -1.248 1.274 1.00 0.00 H new ATOM 0 HA LEU C 72 8.495 -1.493 0.464 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.090 -1.255 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.487 -1.250 -1.812 1.00 0.00 H new ATOM 0 HG LEU C 72 9.900 0.774 0.304 1.00 0.00 H new ATOM 0 HD11 LEU C 72 11.177 2.282 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.111 0.827 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.364 0.968 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU C 72 8.727 2.177 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU C 72 8.832 0.853 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU C 72 7.864 0.649 -1.062 1.00 0.00 H new ATOM 1797 N GLN C 73 10.668 -3.932 0.210 1.00 0.00 N ATOM 1798 CA GLN C 73 10.864 -5.333 -0.066 1.00 0.00 C ATOM 1799 C GLN C 73 9.966 -6.195 0.805 1.00 0.00 C ATOM 1800 O GLN C 73 9.650 -7.328 0.455 1.00 0.00 O ATOM 1801 CB GLN C 73 12.319 -5.667 0.191 1.00 0.00 C ATOM 1802 CG GLN C 73 12.722 -5.551 1.655 1.00 0.00 C ATOM 1803 CD GLN C 73 14.204 -5.762 1.901 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.852 -6.595 1.097 1.00 0.00 O flip ATOM 1805 NE2 GLN C 73 14.763 -5.184 2.832 1.00 0.00 N flip ATOM 0 H GLN C 73 11.478 -3.483 0.637 1.00 0.00 H new ATOM 0 HA GLN C 73 10.605 -5.538 -1.105 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.516 -6.683 -0.152 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.946 -5.003 -0.404 1.00 0.00 H new ATOM 0 HG2 GLN C 73 12.439 -4.565 2.023 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.159 -6.282 2.236 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.233 -4.550 3.430 1.00 0.00 H new ATOM 0 HE22 GLN C 73 15.756 -5.339 3.006 1.00 0.00 H new ATOM 1814 N GLU C 74 9.559 -5.638 1.940 1.00 0.00 N ATOM 1815 CA GLU C 74 8.638 -6.305 2.845 1.00 0.00 C ATOM 1816 C GLU C 74 7.336 -6.601 2.122 1.00 0.00 C ATOM 1817 O GLU C 74 6.631 -7.557 2.441 1.00 0.00 O ATOM 1818 CB GLU C 74 8.369 -5.425 4.066 1.00 0.00 C ATOM 1819 CG GLU C 74 9.610 -5.123 4.887 1.00 0.00 C ATOM 1820 CD GLU C 74 10.199 -6.361 5.530 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.713 -6.759 6.608 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.152 -6.935 4.965 1.00 0.00 O ATOM 0 H GLU C 74 9.858 -4.715 2.255 1.00 0.00 H new ATOM 0 HA GLU C 74 9.084 -7.242 3.180 1.00 0.00 H new ATOM 0 HB2 GLU C 74 7.926 -4.486 3.735 1.00 0.00 H new ATOM 0 HB3 GLU C 74 7.634 -5.917 4.703 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.360 -4.659 4.247 1.00 0.00 H new ATOM 0 HG3 GLU C 74 9.361 -4.399 5.663 1.00 0.00 H new ATOM 1829 N TYR C 75 7.027 -5.759 1.144 1.00 0.00 N ATOM 1830 CA TYR C 75 5.809 -5.886 0.383 1.00 0.00 C ATOM 1831 C TYR C 75 6.112 -6.445 -1.001 1.00 0.00 C ATOM 1832 O TYR C 75 5.215 -6.899 -1.712 1.00 0.00 O ATOM 1833 CB TYR C 75 5.139 -4.522 0.280 1.00 0.00 C ATOM 1834 CG TYR C 75 5.020 -3.818 1.614 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.235 -4.346 2.632 1.00 0.00 C ATOM 1836 CD2 TYR C 75 5.684 -2.622 1.853 1.00 0.00 C ATOM 1837 CE1 TYR C 75 4.111 -3.702 3.845 1.00 0.00 C ATOM 1838 CE2 TYR C 75 5.570 -1.974 3.068 1.00 0.00 C ATOM 1839 CZ TYR C 75 4.780 -2.516 4.058 1.00 0.00 C ATOM 1840 OH TYR C 75 4.646 -1.864 5.263 1.00 0.00 O ATOM 0 H TYR C 75 7.616 -4.975 0.863 1.00 0.00 H new ATOM 0 HA TYR C 75 5.132 -6.577 0.886 1.00 0.00 H new ATOM 0 HB2 TYR C 75 5.709 -3.895 -0.406 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.145 -4.644 -0.150 1.00 0.00 H new ATOM 0 HD1 TYR C 75 3.713 -5.277 2.470 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.299 -2.191 1.077 1.00 0.00 H new ATOM 0 HE1 TYR C 75 3.493 -4.125 4.624 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.097 -1.047 3.241 1.00 0.00 H new ATOM 0 HH TYR C 75 4.252 -2.473 5.922 1.00 0.00 H new ATOM 1850 N ASN C 76 7.401 -6.388 -1.365 1.00 0.00 N ATOM 1851 CA ASN C 76 7.907 -6.949 -2.615 1.00 0.00 C ATOM 1852 C ASN C 76 7.160 -6.374 -3.814 1.00 0.00 C ATOM 1853 O ASN C 76 6.644 -7.105 -4.655 1.00 0.00 O ATOM 1854 CB ASN C 76 7.795 -8.479 -2.584 1.00 0.00 C ATOM 1855 CG ASN C 76 8.568 -9.156 -3.695 1.00 0.00 C ATOM 1856 OD1 ASN C 76 8.071 -9.345 -4.807 1.00 0.00 O ATOM 1857 ND2 ASN C 76 9.783 -9.551 -3.395 1.00 0.00 N ATOM 0 H ASN C 76 8.122 -5.948 -0.793 1.00 0.00 H new ATOM 0 HA ASN C 76 8.957 -6.676 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN C 76 8.158 -8.844 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN C 76 6.745 -8.762 -2.656 1.00 0.00 H new ATOM 0 HD21 ASN C 76 10.350 -10.032 -4.093 1.00 0.00 H new ATOM 0 HD22 ASN C 76 10.161 -9.377 -2.464 1.00 0.00 H new ATOM 1864 N VAL C 77 7.094 -5.053 -3.896 1.00 0.00 N ATOM 1865 CA VAL C 77 6.303 -4.426 -4.948 1.00 0.00 C ATOM 1866 C VAL C 77 7.133 -4.101 -6.192 1.00 0.00 C ATOM 1867 O VAL C 77 6.717 -3.302 -7.032 1.00 0.00 O ATOM 1868 CB VAL C 77 5.580 -3.157 -4.456 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.553 -3.510 -3.388 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.570 -2.126 -3.933 1.00 0.00 C ATOM 0 H VAL C 77 7.566 -4.406 -3.264 1.00 0.00 H new ATOM 0 HA VAL C 77 5.552 -5.165 -5.226 1.00 0.00 H new ATOM 0 HB VAL C 77 5.059 -2.715 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL C 77 4.052 -2.603 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.817 -4.198 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL C 77 5.054 -3.982 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL C 77 6.030 -1.242 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL C 77 7.132 -2.550 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL C 77 7.259 -1.846 -4.730 1.00 0.00 H new ATOM 1880 N GLY C 78 8.313 -4.708 -6.306 1.00 0.00 N ATOM 1881 CA GLY C 78 9.087 -4.604 -7.507 1.00 0.00 C ATOM 1882 C GLY C 78 8.420 -5.225 -8.675 1.00 0.00 C ATOM 1883 O GLY C 78 8.387 -6.442 -8.854 1.00 0.00 O ATOM 0 H GLY C 78 8.740 -5.273 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY C 78 9.279 -3.552 -7.720 1.00 0.00 H new ATOM 0 HA3 GLY C 78 10.055 -5.080 -7.352 1.00 0.00 H new ATOM 1887 N GLY C 79 7.871 -4.348 -9.434 1.00 0.00 N ATOM 1888 CA GLY C 79 7.250 -4.712 -10.690 1.00 0.00 C ATOM 1889 C GLY C 79 5.774 -5.020 -10.542 1.00 0.00 C ATOM 1890 O GLY C 79 5.160 -5.624 -11.424 1.00 0.00 O ATOM 0 H GLY C 79 7.831 -3.352 -9.217 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.378 -3.898 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.759 -5.582 -11.104 1.00 0.00 H new ATOM 1894 N LYS C 80 5.216 -4.622 -9.412 1.00 0.00 N ATOM 1895 CA LYS C 80 3.803 -4.830 -9.119 1.00 0.00 C ATOM 1896 C LYS C 80 3.102 -3.480 -8.988 1.00 0.00 C ATOM 1897 O LYS C 80 3.721 -2.535 -8.505 1.00 0.00 O ATOM 1898 CB LYS C 80 3.667 -5.584 -7.795 1.00 0.00 C ATOM 1899 CG LYS C 80 4.540 -6.826 -7.681 1.00 0.00 C ATOM 1900 CD LYS C 80 4.143 -7.884 -8.693 1.00 0.00 C ATOM 1901 CE LYS C 80 4.976 -9.142 -8.532 1.00 0.00 C ATOM 1902 NZ LYS C 80 4.600 -10.187 -9.517 1.00 0.00 N ATOM 0 H LYS C 80 5.727 -4.145 -8.669 1.00 0.00 H new ATOM 0 HA LYS C 80 3.350 -5.405 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.915 -4.906 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.625 -5.875 -7.663 1.00 0.00 H new ATOM 0 HG2 LYS C 80 5.584 -6.552 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS C 80 4.460 -7.236 -6.674 1.00 0.00 H new ATOM 0 HD2 LYS C 80 3.087 -8.127 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS C 80 4.267 -7.490 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS C 80 6.031 -8.896 -8.650 1.00 0.00 H new ATOM 0 HE3 LYS C 80 4.851 -9.533 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 5.193 -11.029 -9.373 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 3.600 -10.441 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 4.744 -9.824 -10.481 1.00 0.00 H new ATOM 1916 N VAL C 81 1.830 -3.365 -9.412 1.00 0.00 N ATOM 1917 CA VAL C 81 1.094 -2.126 -9.158 1.00 0.00 C ATOM 1918 C VAL C 81 0.432 -2.174 -7.788 1.00 0.00 C ATOM 1919 O VAL C 81 -0.210 -3.152 -7.420 1.00 0.00 O ATOM 1920 CB VAL C 81 0.026 -1.721 -10.216 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.481 -1.852 -11.649 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.252 -2.456 -10.030 1.00 0.00 C ATOM 0 H VAL C 81 1.312 -4.087 -9.912 1.00 0.00 H new ATOM 0 HA VAL C 81 1.863 -1.356 -9.216 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.135 -0.659 -10.033 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.326 -1.549 -12.316 1.00 0.00 H new ATOM 0 HG12 VAL C 81 1.348 -1.213 -11.815 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.750 -2.889 -11.852 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -1.967 -2.141 -10.790 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.072 -3.527 -10.122 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.656 -2.240 -9.041 1.00 0.00 H new ATOM 1932 N ILE C 82 0.644 -1.124 -7.024 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.013 -0.958 -5.744 1.00 0.00 C ATOM 1934 C ILE C 82 -1.342 -0.244 -5.961 1.00 0.00 C ATOM 1935 O ILE C 82 -1.616 0.225 -7.057 1.00 0.00 O ATOM 1936 CB ILE C 82 0.879 -0.155 -4.765 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.208 -0.819 -4.605 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.235 0.028 -3.397 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.119 -0.075 -3.672 1.00 0.00 C ATOM 0 H ILE C 82 1.275 -0.362 -7.272 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.190 -1.938 -5.301 1.00 0.00 H new ATOM 0 HB ILE C 82 1.007 0.835 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE C 82 2.061 -1.832 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.686 -0.906 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.905 0.598 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.707 0.566 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.045 -0.948 -2.951 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.070 -0.603 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.292 0.930 -4.057 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.657 -0.011 -2.687 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.180 -0.197 -4.948 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.431 0.516 -5.044 1.00 0.00 C ATOM 1953 C HIS C 83 -3.407 1.729 -4.125 1.00 0.00 C ATOM 1954 O HIS C 83 -3.193 1.599 -2.920 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.587 -0.418 -4.659 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.799 -1.537 -5.629 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.428 -2.837 -5.367 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.354 -1.548 -6.862 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -4.744 -3.597 -6.399 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.310 -2.839 -7.321 1.00 0.00 N ATOM 0 H HIS C 83 -2.015 -0.646 -4.047 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.575 0.856 -6.069 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.392 -0.836 -3.671 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.505 0.165 -4.583 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.758 -0.696 -7.389 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -4.569 -4.660 -6.477 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.657 -3.161 -8.225 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.604 2.900 -4.705 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.670 4.136 -3.937 1.00 0.00 C ATOM 1971 C LEU C 84 -5.016 4.311 -3.257 1.00 0.00 C ATOM 1972 O LEU C 84 -6.036 3.797 -3.722 1.00 0.00 O ATOM 1973 CB LEU C 84 -3.386 5.321 -4.838 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.913 5.541 -5.108 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -1.716 6.387 -6.349 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.268 6.192 -3.900 1.00 0.00 C ATOM 0 H LEU C 84 -3.722 3.023 -5.711 1.00 0.00 H new ATOM 0 HA LEU C 84 -2.912 4.080 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -3.903 5.177 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.801 6.220 -4.383 1.00 0.00 H new ATOM 0 HG LEU C 84 -1.435 4.578 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -0.650 6.533 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -2.159 5.883 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -2.196 7.355 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -0.207 6.350 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -1.748 7.151 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.385 5.544 -3.032 1.00 0.00 H new ATOM 1988 N VAL C 85 -5.000 5.038 -2.145 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.166 5.167 -1.279 1.00 0.00 C ATOM 1990 C VAL C 85 -6.253 6.569 -0.697 1.00 0.00 C ATOM 1991 O VAL C 85 -5.266 7.300 -0.644 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.081 4.185 -0.090 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.409 4.040 0.632 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -5.567 2.833 -0.537 1.00 0.00 C ATOM 0 H VAL C 85 -4.182 5.553 -1.820 1.00 0.00 H new ATOM 0 HA VAL C 85 -7.041 4.950 -1.892 1.00 0.00 H new ATOM 0 HB VAL C 85 -5.371 4.609 0.620 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.299 3.340 1.460 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -7.722 5.011 1.017 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -8.162 3.666 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -5.517 2.161 0.320 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -6.241 2.417 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -4.572 2.946 -0.968 1.00 0.00 H new