USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1082 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 103 MET CE :methyl -178:sc= -3.23! (180deg=-3.37!) USER MOD Set 1.2: A 117 MET CE :methyl 133:sc= -0.137 (180deg=-1.81) USER MOD Set 2.1: A 105 SER OG : rot 180:sc= -0.583 USER MOD Set 2.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 84 LYS NZ :NH3+ -158:sc= 0.0356 (180deg=0) USER MOD Set 3.2: A 95 ASN : amide:sc= -3.2! K(o=-3.2!,f=-3.7) USER MOD Set 4.1: A 79 TYR OH : rot 85:sc= 0.883 USER MOD Set 4.2: A 106 HIS : no HE2:sc= 0.917 K(o=1.2,f=-11!) USER MOD Set 4.3: A 107 CYS SG : rot 70:sc= 1.33 USER MOD Set 4.4: A 110 ASN : amide:sc= -1.9 K(o=1.2,f=-1.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.773 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -90:sc= 1.79 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-3.2!) USER MOD Single : A 33 CYS SG : rot 30:sc= 0.0574 USER MOD Single : A 35 SER OG : rot 119:sc= 1.32 USER MOD Single : A 38 CYS SG : rot 0:sc= 0 USER MOD Single : A 40 MET CE :methyl 141:sc= -0.0434 (180deg=-0.438) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= -0.0177 (180deg=-0.116) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -0.0232 (180deg=-0.186) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.437 F(o=-3.5!,f=-0.44) USER MOD Single : A 60 ASN : amide:sc= 1.12 K(o=1.1,f=-0.13) USER MOD Single : A 61 GLN : amide:sc= 0.229 K(o=0.23,f=-1.7!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= -2.78! (180deg=-5.5!) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0.57 (180deg=0.518) USER MOD Single : A 65 SER OG : rot -88:sc= 0.142 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= -0.0073 (180deg=-0.108) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 130:sc= -0.386 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -2.17! X(o=-2.2!,f=-1.9) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -1.7 USER MOD Single : A 93 TYR OH : rot -130:sc= -1.42 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.08) USER MOD Single : A 99 SER OG : rot 2:sc= 0.565 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 34:sc= 0.709 USER MOD Single : A 116 SER OG : rot -177:sc= -0.106 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 131 ASN :FLIP amide:sc= -0.0475 F(o=-1.3,f=-0.048) USER MOD Single : A 133 SER OG : rot -78:sc= 1.1 USER MOD Single : A 135 MET CE :methyl 168:sc= -0.432 (180deg=-0.635) USER MOD Single : A 143 THR OG1 : rot -0:sc= 0.86 USER MOD Single : A 146 LYS NZ :NH3+ 169:sc= -0.0252 (180deg=-0.175) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0.00587 USER MOD ----------------------------------------------------------------- ATOM 155 N ARG A 13 -7.847 0.940 -13.422 1.00 2.53 N ATOM 156 CA ARG A 13 -6.534 1.375 -12.928 1.00 2.20 C ATOM 157 C ARG A 13 -6.638 1.887 -11.522 1.00 52.50 C ATOM 158 O ARG A 13 -6.010 1.358 -10.637 1.00 12.21 O ATOM 159 CB ARG A 13 -5.886 2.417 -13.844 1.00 63.33 C ATOM 160 CG ARG A 13 -5.439 1.861 -15.167 1.00 12.30 C ATOM 161 CD ARG A 13 -4.324 0.852 -14.964 1.00 35.04 C ATOM 162 NE ARG A 13 -3.947 0.192 -16.201 1.00 44.31 N ATOM 163 CZ ARG A 13 -3.161 -0.873 -16.278 1.00 51.42 C ATOM 164 NH1 ARG A 13 -2.713 -1.454 -15.171 1.00 73.04 N ATOM 165 NH2 ARG A 13 -2.845 -1.382 -17.453 1.00 15.14 N ATOM 0 HA ARG A 13 -5.883 0.501 -12.931 1.00 2.20 H new ATOM 0 HB2 ARG A 13 -6.596 3.225 -14.020 1.00 63.33 H new ATOM 0 HB3 ARG A 13 -5.027 2.853 -13.334 1.00 63.33 H new ATOM 0 HG2 ARG A 13 -6.280 1.387 -15.673 1.00 12.30 H new ATOM 0 HG3 ARG A 13 -5.094 2.670 -15.811 1.00 12.30 H new ATOM 0 HD2 ARG A 13 -3.454 1.355 -14.543 1.00 35.04 H new ATOM 0 HD3 ARG A 13 -4.642 0.104 -14.238 1.00 35.04 H new ATOM 0 HE ARG A 13 -4.313 0.575 -17.073 1.00 44.31 H new ATOM 0 HH11 ARG A 13 -2.973 -1.081 -14.258 1.00 73.04 H new ATOM 0 HH12 ARG A 13 -2.109 -2.273 -15.234 1.00 73.04 H new ATOM 0 HH21 ARG A 13 -3.206 -0.956 -18.307 1.00 15.14 H new ATOM 0 HH22 ARG A 13 -2.240 -2.201 -17.508 1.00 15.14 H new ATOM 179 N ILE A 14 -7.420 2.907 -11.321 1.00 5.03 N ATOM 180 CA ILE A 14 -7.684 3.359 -9.998 1.00 21.01 C ATOM 181 C ILE A 14 -9.177 3.294 -9.764 1.00 14.20 C ATOM 182 O ILE A 14 -9.968 3.916 -10.482 1.00 54.20 O ATOM 183 CB ILE A 14 -7.196 4.797 -9.779 1.00 33.43 C ATOM 184 CG1 ILE A 14 -5.705 4.916 -10.103 1.00 5.52 C ATOM 185 CG2 ILE A 14 -7.464 5.230 -8.347 1.00 63.11 C ATOM 186 CD1 ILE A 14 -5.167 6.317 -9.988 1.00 71.43 C ATOM 0 H ILE A 14 -7.883 3.437 -12.059 1.00 5.03 H new ATOM 0 HA ILE A 14 -7.148 2.720 -9.297 1.00 21.01 H new ATOM 0 HB ILE A 14 -7.746 5.455 -10.452 1.00 33.43 H new ATOM 0 HG12 ILE A 14 -5.144 4.265 -9.432 1.00 5.52 H new ATOM 0 HG13 ILE A 14 -5.533 4.553 -11.116 1.00 5.52 H new ATOM 0 HG21 ILE A 14 -7.113 6.252 -8.204 1.00 63.11 H new ATOM 0 HG22 ILE A 14 -8.534 5.182 -8.147 1.00 63.11 H new ATOM 0 HG23 ILE A 14 -6.937 4.566 -7.662 1.00 63.11 H new ATOM 0 HD11 ILE A 14 -4.105 6.320 -10.233 1.00 71.43 H new ATOM 0 HD12 ILE A 14 -5.701 6.970 -10.679 1.00 71.43 H new ATOM 0 HD13 ILE A 14 -5.305 6.677 -8.969 1.00 71.43 H new ATOM 198 N THR A 15 -9.542 2.560 -8.785 1.00 11.24 N ATOM 199 CA THR A 15 -10.911 2.385 -8.424 1.00 13.41 C ATOM 200 C THR A 15 -11.110 3.049 -7.080 1.00 33.52 C ATOM 201 O THR A 15 -10.322 2.829 -6.179 1.00 25.10 O ATOM 202 CB THR A 15 -11.216 0.886 -8.292 1.00 33.34 C ATOM 203 OG1 THR A 15 -10.714 0.206 -9.455 1.00 24.34 O ATOM 204 CG2 THR A 15 -12.721 0.652 -8.187 1.00 2.23 C ATOM 0 H THR A 15 -8.889 2.048 -8.192 1.00 11.24 H new ATOM 0 HA THR A 15 -11.568 2.818 -9.178 1.00 13.41 H new ATOM 0 HB THR A 15 -10.738 0.504 -7.390 1.00 33.34 H new ATOM 0 HG1 THR A 15 -10.902 -0.753 -9.380 1.00 24.34 H new ATOM 0 HG21 THR A 15 -12.918 -0.416 -8.094 1.00 2.23 H new ATOM 0 HG22 THR A 15 -13.109 1.170 -7.310 1.00 2.23 H new ATOM 0 HG23 THR A 15 -13.212 1.035 -9.082 1.00 2.23 H new ATOM 212 N TYR A 16 -12.114 3.869 -6.943 1.00 13.24 N ATOM 213 CA TYR A 16 -12.331 4.544 -5.681 1.00 1.32 C ATOM 214 C TYR A 16 -13.412 3.866 -4.895 1.00 32.23 C ATOM 215 O TYR A 16 -14.469 3.536 -5.433 1.00 51.12 O ATOM 216 CB TYR A 16 -12.656 6.013 -5.889 1.00 23.14 C ATOM 217 CG TYR A 16 -11.574 6.736 -6.627 1.00 52.02 C ATOM 218 CD1 TYR A 16 -10.351 6.981 -6.024 1.00 23.31 C ATOM 219 CD2 TYR A 16 -11.764 7.170 -7.928 1.00 53.03 C ATOM 220 CE1 TYR A 16 -9.354 7.630 -6.695 1.00 24.11 C ATOM 221 CE2 TYR A 16 -10.765 7.824 -8.607 1.00 62.23 C ATOM 222 CZ TYR A 16 -9.561 8.050 -7.986 1.00 75.55 C ATOM 223 OH TYR A 16 -8.557 8.703 -8.660 1.00 64.51 O ATOM 0 H TYR A 16 -12.790 4.088 -7.675 1.00 13.24 H new ATOM 0 HA TYR A 16 -11.405 4.487 -5.110 1.00 1.32 H new ATOM 0 HB2 TYR A 16 -13.591 6.101 -6.442 1.00 23.14 H new ATOM 0 HB3 TYR A 16 -12.812 6.489 -4.921 1.00 23.14 H new ATOM 0 HD1 TYR A 16 -10.184 6.654 -5.008 1.00 23.31 H new ATOM 0 HD2 TYR A 16 -12.711 6.992 -8.416 1.00 53.03 H new ATOM 0 HE1 TYR A 16 -8.406 7.812 -6.212 1.00 24.11 H new ATOM 0 HE2 TYR A 16 -10.925 8.158 -9.622 1.00 62.23 H new ATOM 0 HH TYR A 16 -8.864 8.932 -9.562 1.00 64.51 H new ATOM 233 N VAL A 17 -13.150 3.625 -3.638 1.00 42.52 N ATOM 234 CA VAL A 17 -14.103 2.983 -2.770 1.00 35.05 C ATOM 235 C VAL A 17 -14.128 3.687 -1.428 1.00 44.34 C ATOM 236 O VAL A 17 -13.083 4.013 -0.872 1.00 73.43 O ATOM 237 CB VAL A 17 -13.747 1.483 -2.519 1.00 14.34 C ATOM 238 CG1 VAL A 17 -14.803 0.802 -1.671 1.00 22.42 C ATOM 239 CG2 VAL A 17 -13.552 0.727 -3.816 1.00 44.12 C ATOM 0 H VAL A 17 -12.269 3.868 -3.186 1.00 42.52 H new ATOM 0 HA VAL A 17 -15.074 3.039 -3.263 1.00 35.05 H new ATOM 0 HB VAL A 17 -12.802 1.469 -1.975 1.00 14.34 H new ATOM 0 HG11 VAL A 17 -14.527 -0.241 -1.514 1.00 22.42 H new ATOM 0 HG12 VAL A 17 -14.877 1.307 -0.708 1.00 22.42 H new ATOM 0 HG13 VAL A 17 -15.765 0.850 -2.181 1.00 22.42 H new ATOM 0 HG21 VAL A 17 -13.306 -0.312 -3.598 1.00 44.12 H new ATOM 0 HG22 VAL A 17 -14.470 0.767 -4.402 1.00 44.12 H new ATOM 0 HG23 VAL A 17 -12.739 1.181 -4.383 1.00 44.12 H new ATOM 249 N LYS A 18 -15.304 3.940 -0.928 1.00 42.05 N ATOM 250 CA LYS A 18 -15.444 4.465 0.385 1.00 1.10 C ATOM 251 C LYS A 18 -15.764 3.294 1.305 1.00 54.21 C ATOM 252 O LYS A 18 -16.518 2.388 0.908 1.00 70.21 O ATOM 253 CB LYS A 18 -16.546 5.558 0.478 1.00 55.43 C ATOM 254 CG LYS A 18 -18.010 5.124 0.223 1.00 43.03 C ATOM 255 CD LYS A 18 -18.354 4.797 -1.236 1.00 61.54 C ATOM 256 CE LYS A 18 -18.199 6.010 -2.154 1.00 30.45 C ATOM 257 NZ LYS A 18 -18.721 5.744 -3.516 1.00 63.13 N ATOM 0 H LYS A 18 -16.183 3.787 -1.422 1.00 42.05 H new ATOM 0 HA LYS A 18 -14.517 4.957 0.679 1.00 1.10 H new ATOM 0 HB2 LYS A 18 -16.496 6.002 1.472 1.00 55.43 H new ATOM 0 HB3 LYS A 18 -16.300 6.345 -0.235 1.00 55.43 H new ATOM 0 HG2 LYS A 18 -18.223 4.247 0.834 1.00 43.03 H new ATOM 0 HG3 LYS A 18 -18.672 5.919 0.565 1.00 43.03 H new ATOM 0 HD2 LYS A 18 -17.708 3.993 -1.588 1.00 61.54 H new ATOM 0 HD3 LYS A 18 -19.379 4.430 -1.292 1.00 61.54 H new ATOM 0 HE2 LYS A 18 -18.726 6.861 -1.723 1.00 30.45 H new ATOM 0 HE3 LYS A 18 -17.146 6.286 -2.216 1.00 30.45 H new ATOM 0 HZ1 LYS A 18 -18.597 6.591 -4.107 1.00 63.13 H new ATOM 0 HZ2 LYS A 18 -18.201 4.948 -3.938 1.00 63.13 H new ATOM 0 HZ3 LYS A 18 -19.732 5.506 -3.460 1.00 63.13 H new ATOM 271 N GLY A 19 -15.199 3.273 2.482 1.00 44.44 N ATOM 272 CA GLY A 19 -15.436 2.167 3.373 1.00 31.12 C ATOM 273 C GLY A 19 -14.226 1.837 4.207 1.00 4.02 C ATOM 274 O GLY A 19 -13.497 2.743 4.637 1.00 73.12 O ATOM 0 H GLY A 19 -14.579 3.998 2.844 1.00 44.44 H new ATOM 0 HA2 GLY A 19 -16.273 2.405 4.029 1.00 31.12 H new ATOM 0 HA3 GLY A 19 -15.725 1.291 2.793 1.00 31.12 H new ATOM 278 N ASP A 20 -13.983 0.553 4.409 1.00 14.50 N ATOM 279 CA ASP A 20 -12.897 0.104 5.273 1.00 42.10 C ATOM 280 C ASP A 20 -11.802 -0.597 4.465 1.00 1.14 C ATOM 281 O ASP A 20 -12.087 -1.429 3.601 1.00 53.25 O ATOM 282 CB ASP A 20 -13.438 -0.837 6.350 1.00 34.25 C ATOM 283 CG ASP A 20 -12.389 -1.241 7.341 1.00 61.12 C ATOM 284 OD1 ASP A 20 -12.161 -0.498 8.316 1.00 5.22 O ATOM 285 OD2 ASP A 20 -11.785 -2.288 7.165 1.00 53.45 O ATOM 0 H ASP A 20 -14.524 -0.202 3.986 1.00 14.50 H new ATOM 0 HA ASP A 20 -12.458 0.981 5.749 1.00 42.10 H new ATOM 0 HB2 ASP A 20 -14.260 -0.349 6.874 1.00 34.25 H new ATOM 0 HB3 ASP A 20 -13.848 -1.729 5.876 1.00 34.25 H new ATOM 290 N LEU A 21 -10.558 -0.270 4.759 1.00 31.42 N ATOM 291 CA LEU A 21 -9.414 -0.811 4.034 1.00 13.22 C ATOM 292 C LEU A 21 -8.822 -2.047 4.731 1.00 74.21 C ATOM 293 O LEU A 21 -7.864 -2.643 4.270 1.00 51.35 O ATOM 294 CB LEU A 21 -8.374 0.286 3.889 1.00 74.52 C ATOM 295 CG LEU A 21 -7.112 -0.054 3.092 1.00 74.42 C ATOM 296 CD1 LEU A 21 -7.461 -0.662 1.744 1.00 44.44 C ATOM 297 CD2 LEU A 21 -6.348 1.191 2.870 1.00 13.42 C ATOM 0 H LEU A 21 -10.307 0.378 5.506 1.00 31.42 H new ATOM 0 HA LEU A 21 -9.743 -1.144 3.050 1.00 13.22 H new ATOM 0 HB2 LEU A 21 -8.851 1.145 3.418 1.00 74.52 H new ATOM 0 HB3 LEU A 21 -8.070 0.599 4.888 1.00 74.52 H new ATOM 0 HG LEU A 21 -6.526 -0.779 3.656 1.00 74.42 H new ATOM 0 HD11 LEU A 21 -6.545 -0.893 1.201 1.00 44.44 H new ATOM 0 HD12 LEU A 21 -8.034 -1.577 1.895 1.00 44.44 H new ATOM 0 HD13 LEU A 21 -8.055 0.047 1.168 1.00 44.44 H new ATOM 0 HD21 LEU A 21 -5.444 0.967 2.303 1.00 13.42 H new ATOM 0 HD22 LEU A 21 -6.961 1.899 2.312 1.00 13.42 H new ATOM 0 HD23 LEU A 21 -6.075 1.626 3.831 1.00 13.42 H new ATOM 309 N PHE A 22 -9.405 -2.426 5.824 1.00 33.24 N ATOM 310 CA PHE A 22 -8.922 -3.568 6.577 1.00 71.22 C ATOM 311 C PHE A 22 -9.776 -4.799 6.291 1.00 74.41 C ATOM 312 O PHE A 22 -9.282 -5.920 6.282 1.00 13.04 O ATOM 313 CB PHE A 22 -8.874 -3.249 8.091 1.00 55.34 C ATOM 314 CG PHE A 22 -7.850 -2.197 8.470 1.00 63.32 C ATOM 315 CD1 PHE A 22 -7.928 -0.914 7.959 1.00 33.11 C ATOM 316 CD2 PHE A 22 -6.794 -2.503 9.315 1.00 55.41 C ATOM 317 CE1 PHE A 22 -6.994 0.031 8.281 1.00 61.02 C ATOM 318 CE2 PHE A 22 -5.857 -1.558 9.634 1.00 73.24 C ATOM 319 CZ PHE A 22 -5.957 -0.290 9.116 1.00 42.23 C ATOM 0 H PHE A 22 -10.222 -1.966 6.227 1.00 33.24 H new ATOM 0 HA PHE A 22 -7.904 -3.788 6.256 1.00 71.22 H new ATOM 0 HB2 PHE A 22 -9.860 -2.913 8.412 1.00 55.34 H new ATOM 0 HB3 PHE A 22 -8.656 -4.166 8.638 1.00 55.34 H new ATOM 0 HD1 PHE A 22 -8.740 -0.655 7.295 1.00 33.11 H new ATOM 0 HD2 PHE A 22 -6.710 -3.498 9.726 1.00 55.41 H new ATOM 0 HE1 PHE A 22 -7.074 1.030 7.877 1.00 61.02 H new ATOM 0 HE2 PHE A 22 -5.039 -1.809 10.293 1.00 73.24 H new ATOM 0 HZ PHE A 22 -5.217 0.455 9.367 1.00 42.23 H new ATOM 329 N ALA A 23 -11.053 -4.581 6.031 1.00 52.34 N ATOM 330 CA ALA A 23 -11.977 -5.669 5.733 1.00 34.31 C ATOM 331 C ALA A 23 -12.017 -6.002 4.242 1.00 31.33 C ATOM 332 O ALA A 23 -12.848 -6.799 3.805 1.00 33.11 O ATOM 333 CB ALA A 23 -13.372 -5.318 6.224 1.00 62.02 C ATOM 0 H ALA A 23 -11.479 -3.654 6.020 1.00 52.34 H new ATOM 0 HA ALA A 23 -11.615 -6.554 6.256 1.00 34.31 H new ATOM 0 HB1 ALA A 23 -14.055 -6.137 5.997 1.00 62.02 H new ATOM 0 HB2 ALA A 23 -13.348 -5.154 7.301 1.00 62.02 H new ATOM 0 HB3 ALA A 23 -13.715 -4.411 5.727 1.00 62.02 H new ATOM 339 N CYS A 24 -11.104 -5.428 3.469 1.00 2.23 N ATOM 340 CA CYS A 24 -11.082 -5.663 2.030 1.00 24.04 C ATOM 341 C CYS A 24 -10.594 -7.110 1.722 1.00 23.21 C ATOM 342 O CYS A 24 -10.086 -7.800 2.627 1.00 25.03 O ATOM 343 CB CYS A 24 -10.228 -4.588 1.317 1.00 31.31 C ATOM 344 SG CYS A 24 -8.482 -4.581 1.737 1.00 52.34 S ATOM 0 H CYS A 24 -10.375 -4.802 3.810 1.00 2.23 H new ATOM 0 HA CYS A 24 -12.096 -5.576 1.639 1.00 24.04 H new ATOM 0 HB2 CYS A 24 -10.324 -4.729 0.240 1.00 31.31 H new ATOM 0 HB3 CYS A 24 -10.643 -3.607 1.549 1.00 31.31 H new ATOM 0 HG CYS A 24 -8.283 -3.793 2.751 1.00 52.34 H new ATOM 350 N PRO A 25 -10.783 -7.607 0.471 1.00 43.24 N ATOM 351 CA PRO A 25 -10.381 -8.970 0.064 1.00 22.12 C ATOM 352 C PRO A 25 -8.909 -9.324 0.363 1.00 71.12 C ATOM 353 O PRO A 25 -8.040 -8.475 0.421 1.00 3.13 O ATOM 354 CB PRO A 25 -10.610 -8.967 -1.447 1.00 12.32 C ATOM 355 CG PRO A 25 -11.677 -7.960 -1.657 1.00 41.31 C ATOM 356 CD PRO A 25 -11.420 -6.886 -0.657 1.00 54.04 C ATOM 0 HA PRO A 25 -10.951 -9.714 0.621 1.00 22.12 H new ATOM 0 HB2 PRO A 25 -9.701 -8.701 -1.986 1.00 12.32 H new ATOM 0 HB3 PRO A 25 -10.916 -9.950 -1.804 1.00 12.32 H new ATOM 0 HG2 PRO A 25 -11.648 -7.565 -2.672 1.00 41.31 H new ATOM 0 HG3 PRO A 25 -12.664 -8.400 -1.514 1.00 41.31 H new ATOM 0 HD2 PRO A 25 -10.766 -6.112 -1.059 1.00 54.04 H new ATOM 0 HD3 PRO A 25 -12.343 -6.395 -0.349 1.00 54.04 H new ATOM 364 N LYS A 26 -8.671 -10.602 0.559 1.00 34.41 N ATOM 365 CA LYS A 26 -7.328 -11.160 0.793 1.00 51.35 C ATOM 366 C LYS A 26 -6.539 -11.186 -0.501 1.00 10.02 C ATOM 367 O LYS A 26 -5.319 -11.327 -0.518 1.00 71.44 O ATOM 368 CB LYS A 26 -7.418 -12.599 1.339 1.00 13.53 C ATOM 369 CG LYS A 26 -7.955 -12.754 2.758 1.00 61.44 C ATOM 370 CD LYS A 26 -9.395 -12.278 2.942 1.00 1.13 C ATOM 371 CE LYS A 26 -9.841 -12.449 4.385 1.00 44.12 C ATOM 372 NZ LYS A 26 -11.192 -11.907 4.622 1.00 34.41 N ATOM 0 H LYS A 26 -9.408 -11.307 0.563 1.00 34.41 H new ATOM 0 HA LYS A 26 -6.828 -10.525 1.525 1.00 51.35 H new ATOM 0 HB2 LYS A 26 -8.052 -13.180 0.669 1.00 13.53 H new ATOM 0 HB3 LYS A 26 -6.423 -13.042 1.300 1.00 13.53 H new ATOM 0 HG2 LYS A 26 -7.893 -13.804 3.045 1.00 61.44 H new ATOM 0 HG3 LYS A 26 -7.311 -12.198 3.440 1.00 61.44 H new ATOM 0 HD2 LYS A 26 -9.476 -11.230 2.654 1.00 1.13 H new ATOM 0 HD3 LYS A 26 -10.056 -12.842 2.283 1.00 1.13 H new ATOM 0 HE2 LYS A 26 -9.826 -13.508 4.644 1.00 44.12 H new ATOM 0 HE3 LYS A 26 -9.131 -11.949 5.044 1.00 44.12 H new ATOM 0 HZ1 LYS A 26 -11.452 -12.047 5.619 1.00 34.41 H new ATOM 0 HZ2 LYS A 26 -11.202 -10.891 4.401 1.00 34.41 H new ATOM 0 HZ3 LYS A 26 -11.876 -12.401 4.014 1.00 34.41 H new ATOM 386 N THR A 27 -7.257 -11.051 -1.562 1.00 12.32 N ATOM 387 CA THR A 27 -6.749 -11.131 -2.875 1.00 43.10 C ATOM 388 C THR A 27 -5.966 -9.852 -3.285 1.00 72.30 C ATOM 389 O THR A 27 -5.177 -9.880 -4.237 1.00 35.14 O ATOM 390 CB THR A 27 -7.959 -11.331 -3.790 1.00 65.33 C ATOM 391 OG1 THR A 27 -8.692 -12.484 -3.339 1.00 53.21 O ATOM 392 CG2 THR A 27 -7.554 -11.541 -5.203 1.00 61.30 C ATOM 0 H THR A 27 -8.261 -10.874 -1.529 1.00 12.32 H new ATOM 0 HA THR A 27 -6.038 -11.953 -2.951 1.00 43.10 H new ATOM 0 HB THR A 27 -8.573 -10.431 -3.745 1.00 65.33 H new ATOM 0 HG1 THR A 27 -9.472 -12.622 -3.916 1.00 53.21 H new ATOM 0 HG21 THR A 27 -8.442 -11.679 -5.819 1.00 61.30 H new ATOM 0 HG22 THR A 27 -6.999 -10.672 -5.556 1.00 61.30 H new ATOM 0 HG23 THR A 27 -6.923 -12.427 -5.273 1.00 61.30 H new ATOM 400 N ASP A 28 -6.126 -8.779 -2.551 1.00 64.53 N ATOM 401 CA ASP A 28 -5.422 -7.559 -2.881 1.00 74.53 C ATOM 402 C ASP A 28 -4.291 -7.278 -1.917 1.00 14.51 C ATOM 403 O ASP A 28 -4.402 -7.510 -0.714 1.00 50.12 O ATOM 404 CB ASP A 28 -6.375 -6.344 -3.004 1.00 65.43 C ATOM 405 CG ASP A 28 -7.224 -6.049 -1.772 1.00 61.50 C ATOM 406 OD1 ASP A 28 -6.766 -5.309 -0.861 1.00 64.13 O ATOM 407 OD2 ASP A 28 -8.379 -6.487 -1.733 1.00 64.14 O ATOM 0 H ASP A 28 -6.729 -8.722 -1.730 1.00 64.53 H new ATOM 0 HA ASP A 28 -4.979 -7.718 -3.864 1.00 74.53 H new ATOM 0 HB2 ASP A 28 -5.781 -5.460 -3.234 1.00 65.43 H new ATOM 0 HB3 ASP A 28 -7.040 -6.510 -3.851 1.00 65.43 H new ATOM 412 N SER A 29 -3.180 -6.837 -2.451 1.00 55.55 N ATOM 413 CA SER A 29 -2.079 -6.430 -1.640 1.00 13.35 C ATOM 414 C SER A 29 -2.305 -4.983 -1.257 1.00 42.44 C ATOM 415 O SER A 29 -2.993 -4.265 -1.964 1.00 3.04 O ATOM 416 CB SER A 29 -0.763 -6.648 -2.377 1.00 41.35 C ATOM 417 OG SER A 29 -0.562 -8.028 -2.637 1.00 25.22 O ATOM 0 H SER A 29 -3.021 -6.753 -3.455 1.00 55.55 H new ATOM 0 HA SER A 29 -2.014 -7.030 -0.732 1.00 13.35 H new ATOM 0 HB2 SER A 29 -0.768 -6.092 -3.315 1.00 41.35 H new ATOM 0 HB3 SER A 29 0.063 -6.260 -1.781 1.00 41.35 H new ATOM 0 HG SER A 29 0.286 -8.151 -3.112 1.00 25.22 H new ATOM 423 N LEU A 30 -1.747 -4.541 -0.185 1.00 13.50 N ATOM 424 CA LEU A 30 -2.130 -3.256 0.318 1.00 64.25 C ATOM 425 C LEU A 30 -0.894 -2.378 0.414 1.00 75.33 C ATOM 426 O LEU A 30 0.158 -2.842 0.804 1.00 23.22 O ATOM 427 CB LEU A 30 -2.795 -3.494 1.683 1.00 54.31 C ATOM 428 CG LEU A 30 -3.836 -2.486 2.191 1.00 22.32 C ATOM 429 CD1 LEU A 30 -4.446 -3.004 3.465 1.00 64.01 C ATOM 430 CD2 LEU A 30 -3.252 -1.115 2.422 1.00 70.22 C ATOM 0 H LEU A 30 -1.037 -5.034 0.356 1.00 13.50 H new ATOM 0 HA LEU A 30 -2.835 -2.741 -0.334 1.00 64.25 H new ATOM 0 HB2 LEU A 30 -3.274 -4.473 1.649 1.00 54.31 H new ATOM 0 HB3 LEU A 30 -2.003 -3.553 2.429 1.00 54.31 H new ATOM 0 HG LEU A 30 -4.598 -2.380 1.418 1.00 22.32 H new ATOM 0 HD11 LEU A 30 -5.186 -2.292 3.830 1.00 64.01 H new ATOM 0 HD12 LEU A 30 -4.928 -3.963 3.274 1.00 64.01 H new ATOM 0 HD13 LEU A 30 -3.666 -3.133 4.215 1.00 64.01 H new ATOM 0 HD21 LEU A 30 -4.032 -0.443 2.780 1.00 70.22 H new ATOM 0 HD22 LEU A 30 -2.458 -1.178 3.166 1.00 70.22 H new ATOM 0 HD23 LEU A 30 -2.844 -0.731 1.487 1.00 70.22 H new ATOM 442 N ALA A 31 -1.032 -1.120 0.092 1.00 51.14 N ATOM 443 CA ALA A 31 0.095 -0.208 0.057 1.00 4.50 C ATOM 444 C ALA A 31 -0.216 1.077 0.813 1.00 52.22 C ATOM 445 O ALA A 31 -1.378 1.391 1.067 1.00 61.41 O ATOM 446 CB ALA A 31 0.470 0.092 -1.391 1.00 53.43 C ATOM 0 H ALA A 31 -1.925 -0.692 -0.154 1.00 51.14 H new ATOM 0 HA ALA A 31 0.943 -0.682 0.551 1.00 4.50 H new ATOM 0 HB1 ALA A 31 1.317 0.778 -1.413 1.00 53.43 H new ATOM 0 HB2 ALA A 31 0.740 -0.835 -1.896 1.00 53.43 H new ATOM 0 HB3 ALA A 31 -0.379 0.548 -1.900 1.00 53.43 H new ATOM 452 N HIS A 32 0.831 1.784 1.218 1.00 5.23 N ATOM 453 CA HIS A 32 0.727 3.017 2.006 1.00 14.55 C ATOM 454 C HIS A 32 1.937 3.862 1.708 1.00 60.21 C ATOM 455 O HIS A 32 2.853 3.385 1.065 1.00 65.24 O ATOM 456 CB HIS A 32 0.814 2.706 3.498 1.00 54.52 C ATOM 457 CG HIS A 32 -0.126 1.696 4.005 1.00 23.41 C ATOM 458 ND1 HIS A 32 0.264 0.414 4.329 1.00 5.52 N ATOM 459 CD2 HIS A 32 -1.435 1.771 4.275 1.00 72.22 C ATOM 460 CE1 HIS A 32 -0.763 -0.247 4.773 1.00 13.44 C ATOM 461 NE2 HIS A 32 -1.814 0.552 4.753 1.00 55.21 N ATOM 0 H HIS A 32 1.793 1.518 1.008 1.00 5.23 H new ATOM 0 HA HIS A 32 -0.216 3.506 1.761 1.00 14.55 H new ATOM 0 HB2 HIS A 32 1.828 2.373 3.720 1.00 54.52 H new ATOM 0 HB3 HIS A 32 0.654 3.632 4.051 1.00 54.52 H new ATOM 0 HD2 HIS A 32 -2.070 2.634 4.140 1.00 72.22 H new ATOM 0 HE1 HIS A 32 -0.758 -1.275 5.102 1.00 13.44 H new ATOM 0 HE2 HIS A 32 -2.757 0.298 5.048 1.00 55.21 H new ATOM 470 N CYS A 33 1.954 5.089 2.191 1.00 4.22 N ATOM 471 CA CYS A 33 3.134 5.938 2.079 1.00 21.45 C ATOM 472 C CYS A 33 3.658 6.262 3.491 1.00 71.32 C ATOM 473 O CYS A 33 2.867 6.620 4.383 1.00 50.21 O ATOM 474 CB CYS A 33 2.783 7.219 1.316 1.00 63.12 C ATOM 475 SG CYS A 33 1.420 8.162 2.047 1.00 22.44 S ATOM 0 H CYS A 33 1.164 5.525 2.667 1.00 4.22 H new ATOM 0 HA CYS A 33 3.916 5.418 1.525 1.00 21.45 H new ATOM 0 HB2 CYS A 33 3.667 7.855 1.268 1.00 63.12 H new ATOM 0 HB3 CYS A 33 2.522 6.959 0.290 1.00 63.12 H new ATOM 0 HG CYS A 33 1.404 7.975 3.333 1.00 22.44 H new ATOM 481 N ILE A 34 4.976 6.122 3.699 1.00 31.54 N ATOM 482 CA ILE A 34 5.602 6.336 5.010 1.00 42.03 C ATOM 483 C ILE A 34 7.001 6.944 4.828 1.00 21.41 C ATOM 484 O ILE A 34 7.505 7.036 3.705 1.00 4.32 O ATOM 485 CB ILE A 34 5.754 5.023 5.846 1.00 13.44 C ATOM 486 CG1 ILE A 34 6.743 4.084 5.178 1.00 11.45 C ATOM 487 CG2 ILE A 34 4.413 4.341 6.052 1.00 32.24 C ATOM 488 CD1 ILE A 34 7.120 2.897 6.026 1.00 41.53 C ATOM 0 H ILE A 34 5.634 5.858 2.966 1.00 31.54 H new ATOM 0 HA ILE A 34 4.939 7.008 5.554 1.00 42.03 H new ATOM 0 HB ILE A 34 6.140 5.290 6.830 1.00 13.44 H new ATOM 0 HG12 ILE A 34 6.316 3.728 4.240 1.00 11.45 H new ATOM 0 HG13 ILE A 34 7.646 4.641 4.926 1.00 11.45 H new ATOM 0 HG21 ILE A 34 4.553 3.432 6.637 1.00 32.24 H new ATOM 0 HG22 ILE A 34 3.740 5.014 6.584 1.00 32.24 H new ATOM 0 HG23 ILE A 34 3.981 4.087 5.084 1.00 32.24 H new ATOM 0 HD11 ILE A 34 7.829 2.272 5.483 1.00 41.53 H new ATOM 0 HD12 ILE A 34 7.577 3.243 6.953 1.00 41.53 H new ATOM 0 HD13 ILE A 34 6.227 2.316 6.256 1.00 41.53 H new ATOM 500 N SER A 35 7.606 7.367 5.917 1.00 24.33 N ATOM 501 CA SER A 35 8.945 7.899 5.889 1.00 1.34 C ATOM 502 C SER A 35 9.986 6.784 6.175 1.00 5.14 C ATOM 503 O SER A 35 9.673 5.780 6.843 1.00 3.21 O ATOM 504 CB SER A 35 9.057 9.022 6.910 1.00 20.12 C ATOM 505 OG SER A 35 8.723 8.573 8.225 1.00 34.30 O ATOM 0 H SER A 35 7.181 7.350 6.844 1.00 24.33 H new ATOM 0 HA SER A 35 9.155 8.296 4.896 1.00 1.34 H new ATOM 0 HB2 SER A 35 10.073 9.417 6.907 1.00 20.12 H new ATOM 0 HB3 SER A 35 8.396 9.840 6.625 1.00 20.12 H new ATOM 0 HG SER A 35 9.497 8.684 8.815 1.00 34.30 H new ATOM 511 N GLU A 36 11.224 6.981 5.700 1.00 40.22 N ATOM 512 CA GLU A 36 12.313 5.985 5.855 1.00 51.44 C ATOM 513 C GLU A 36 12.814 5.831 7.281 1.00 14.32 C ATOM 514 O GLU A 36 13.593 4.917 7.587 1.00 44.32 O ATOM 515 CB GLU A 36 13.476 6.271 4.908 1.00 73.51 C ATOM 516 CG GLU A 36 14.003 7.665 4.922 1.00 33.30 C ATOM 517 CD GLU A 36 15.187 7.830 3.996 1.00 53.54 C ATOM 518 OE1 GLU A 36 16.321 7.505 4.414 1.00 14.03 O ATOM 519 OE2 GLU A 36 15.012 8.292 2.836 1.00 73.44 O ATOM 0 H GLU A 36 11.505 7.825 5.201 1.00 40.22 H new ATOM 0 HA GLU A 36 11.862 5.030 5.585 1.00 51.44 H new ATOM 0 HB2 GLU A 36 14.293 5.592 5.153 1.00 73.51 H new ATOM 0 HB3 GLU A 36 13.158 6.034 3.893 1.00 73.51 H new ATOM 0 HG2 GLU A 36 13.212 8.355 4.627 1.00 33.30 H new ATOM 0 HG3 GLU A 36 14.296 7.932 5.937 1.00 33.30 H new ATOM 526 N ASP A 37 12.401 6.716 8.133 1.00 1.44 N ATOM 527 CA ASP A 37 12.770 6.652 9.534 1.00 50.43 C ATOM 528 C ASP A 37 11.640 6.059 10.357 1.00 64.25 C ATOM 529 O ASP A 37 11.795 5.793 11.555 1.00 5.33 O ATOM 530 CB ASP A 37 13.175 8.033 10.064 1.00 30.35 C ATOM 531 CG ASP A 37 12.063 9.073 10.109 1.00 50.45 C ATOM 532 OD1 ASP A 37 11.011 8.897 9.436 1.00 42.41 O ATOM 533 OD2 ASP A 37 12.238 10.088 10.840 1.00 13.40 O ATOM 0 H ASP A 37 11.801 7.504 7.890 1.00 1.44 H new ATOM 0 HA ASP A 37 13.637 5.998 9.627 1.00 50.43 H new ATOM 0 HB2 ASP A 37 13.576 7.913 11.070 1.00 30.35 H new ATOM 0 HB3 ASP A 37 13.983 8.418 9.442 1.00 30.35 H new ATOM 538 N CYS A 38 10.513 5.832 9.687 1.00 44.53 N ATOM 539 CA CYS A 38 9.318 5.266 10.277 1.00 55.44 C ATOM 540 C CYS A 38 8.867 5.999 11.543 1.00 54.45 C ATOM 541 O CYS A 38 8.913 5.457 12.656 1.00 30.33 O ATOM 542 CB CYS A 38 9.449 3.754 10.496 1.00 1.03 C ATOM 543 SG CYS A 38 9.722 2.824 8.969 1.00 41.52 S ATOM 0 H CYS A 38 10.410 6.044 8.695 1.00 44.53 H new ATOM 0 HA CYS A 38 8.521 5.417 9.549 1.00 55.44 H new ATOM 0 HB2 CYS A 38 10.276 3.564 11.180 1.00 1.03 H new ATOM 0 HB3 CYS A 38 8.544 3.385 10.980 1.00 1.03 H new ATOM 0 HG CYS A 38 9.755 3.645 7.961 1.00 41.52 H new ATOM 549 N ARG A 39 8.500 7.251 11.375 1.00 21.13 N ATOM 550 CA ARG A 39 7.954 8.038 12.468 1.00 35.20 C ATOM 551 C ARG A 39 6.570 7.569 12.787 1.00 52.11 C ATOM 552 O ARG A 39 6.250 7.271 13.939 1.00 73.32 O ATOM 553 CB ARG A 39 7.943 9.524 12.115 1.00 35.42 C ATOM 554 CG ARG A 39 9.320 10.127 12.011 1.00 4.45 C ATOM 555 CD ARG A 39 9.976 10.168 13.367 1.00 13.21 C ATOM 556 NE ARG A 39 11.368 10.593 13.309 1.00 21.15 N ATOM 557 CZ ARG A 39 12.102 10.926 14.381 1.00 34.00 C ATOM 558 NH1 ARG A 39 11.552 10.946 15.596 1.00 24.25 N ATOM 559 NH2 ARG A 39 13.382 11.230 14.239 1.00 52.23 N ATOM 0 H ARG A 39 8.569 7.751 10.489 1.00 21.13 H new ATOM 0 HA ARG A 39 8.588 7.904 13.345 1.00 35.20 H new ATOM 0 HB2 ARG A 39 7.423 9.660 11.167 1.00 35.42 H new ATOM 0 HB3 ARG A 39 7.374 10.065 12.871 1.00 35.42 H new ATOM 0 HG2 ARG A 39 9.930 9.542 11.322 1.00 4.45 H new ATOM 0 HG3 ARG A 39 9.253 11.135 11.601 1.00 4.45 H new ATOM 0 HD2 ARG A 39 9.420 10.847 14.014 1.00 13.21 H new ATOM 0 HD3 ARG A 39 9.922 9.179 13.822 1.00 13.21 H new ATOM 0 HE ARG A 39 11.814 10.640 12.393 1.00 21.15 H new ATOM 0 HH11 ARG A 39 10.567 10.707 15.714 1.00 24.25 H new ATOM 0 HH12 ARG A 39 12.116 11.200 16.407 1.00 24.25 H new ATOM 0 HH21 ARG A 39 13.811 11.211 13.314 1.00 52.23 H new ATOM 0 HH22 ARG A 39 13.940 11.483 15.055 1.00 52.23 H new ATOM 573 N MET A 40 5.769 7.477 11.744 1.00 2.52 N ATOM 574 CA MET A 40 4.376 7.075 11.814 1.00 65.34 C ATOM 575 C MET A 40 3.590 8.043 12.711 1.00 5.23 C ATOM 576 O MET A 40 3.228 9.137 12.277 1.00 34.44 O ATOM 577 CB MET A 40 4.195 5.610 12.299 1.00 62.03 C ATOM 578 CG MET A 40 4.984 4.584 11.570 1.00 44.31 C ATOM 579 SD MET A 40 4.606 4.502 9.847 1.00 71.42 S ATOM 580 CE MET A 40 5.508 3.037 9.507 1.00 54.11 C ATOM 0 H MET A 40 6.078 7.686 10.795 1.00 2.52 H new ATOM 0 HA MET A 40 3.979 7.118 10.800 1.00 65.34 H new ATOM 0 HB2 MET A 40 4.460 5.562 13.355 1.00 62.03 H new ATOM 0 HB3 MET A 40 3.139 5.350 12.223 1.00 62.03 H new ATOM 0 HG2 MET A 40 6.046 4.799 11.692 1.00 44.31 H new ATOM 0 HG3 MET A 40 4.802 3.608 12.021 1.00 44.31 H new ATOM 0 HE1 MET A 40 4.949 2.421 8.802 1.00 54.11 H new ATOM 0 HE2 MET A 40 6.475 3.297 9.075 1.00 54.11 H new ATOM 0 HE3 MET A 40 5.662 2.481 10.432 1.00 54.11 H new ATOM 590 N GLY A 41 3.404 7.640 13.976 1.00 33.32 N ATOM 591 CA GLY A 41 2.682 8.385 15.029 1.00 52.45 C ATOM 592 C GLY A 41 1.214 8.740 14.725 1.00 60.22 C ATOM 593 O GLY A 41 0.412 8.883 15.647 1.00 60.31 O ATOM 0 H GLY A 41 3.767 6.748 14.312 1.00 33.32 H new ATOM 0 HA2 GLY A 41 2.709 7.796 15.946 1.00 52.45 H new ATOM 0 HA3 GLY A 41 3.224 9.309 15.228 1.00 52.45 H new ATOM 597 N ALA A 42 0.872 8.846 13.474 1.00 22.45 N ATOM 598 CA ALA A 42 -0.467 9.099 13.031 1.00 51.31 C ATOM 599 C ALA A 42 -0.639 8.469 11.674 1.00 30.32 C ATOM 600 O ALA A 42 0.359 8.185 10.993 1.00 21.13 O ATOM 601 CB ALA A 42 -0.735 10.597 12.965 1.00 43.33 C ATOM 0 H ALA A 42 1.541 8.756 12.709 1.00 22.45 H new ATOM 0 HA ALA A 42 -1.180 8.669 13.734 1.00 51.31 H new ATOM 0 HB1 ALA A 42 -1.757 10.769 12.627 1.00 43.33 H new ATOM 0 HB2 ALA A 42 -0.602 11.034 13.954 1.00 43.33 H new ATOM 0 HB3 ALA A 42 -0.038 11.061 12.267 1.00 43.33 H new ATOM 607 N GLY A 43 -1.853 8.252 11.273 1.00 42.24 N ATOM 608 CA GLY A 43 -2.094 7.702 9.975 1.00 44.35 C ATOM 609 C GLY A 43 -2.419 6.237 10.024 1.00 33.41 C ATOM 610 O GLY A 43 -2.307 5.601 11.079 1.00 24.13 O ATOM 0 H GLY A 43 -2.690 8.446 11.823 1.00 42.24 H new ATOM 0 HA2 GLY A 43 -2.918 8.238 9.504 1.00 44.35 H new ATOM 0 HA3 GLY A 43 -1.214 7.855 9.350 1.00 44.35 H new ATOM 614 N ILE A 44 -2.785 5.696 8.889 1.00 61.11 N ATOM 615 CA ILE A 44 -3.201 4.306 8.775 1.00 44.45 C ATOM 616 C ILE A 44 -2.019 3.336 8.966 1.00 75.32 C ATOM 617 O ILE A 44 -2.204 2.189 9.374 1.00 12.12 O ATOM 618 CB ILE A 44 -3.915 4.062 7.418 1.00 65.54 C ATOM 619 CG1 ILE A 44 -4.421 2.623 7.304 1.00 23.23 C ATOM 620 CG2 ILE A 44 -2.995 4.394 6.257 1.00 2.01 C ATOM 621 CD1 ILE A 44 -5.268 2.385 6.097 1.00 20.15 C ATOM 0 H ILE A 44 -2.805 6.206 8.006 1.00 61.11 H new ATOM 0 HA ILE A 44 -3.910 4.105 9.578 1.00 44.45 H new ATOM 0 HB ILE A 44 -4.779 4.726 7.377 1.00 65.54 H new ATOM 0 HG12 ILE A 44 -3.567 1.946 7.278 1.00 23.23 H new ATOM 0 HG13 ILE A 44 -4.996 2.376 8.196 1.00 23.23 H new ATOM 0 HG21 ILE A 44 -3.517 4.215 5.317 1.00 2.01 H new ATOM 0 HG22 ILE A 44 -2.700 5.442 6.315 1.00 2.01 H new ATOM 0 HG23 ILE A 44 -2.107 3.764 6.305 1.00 2.01 H new ATOM 0 HD11 ILE A 44 -5.592 1.344 6.079 1.00 20.15 H new ATOM 0 HD12 ILE A 44 -6.141 3.037 6.131 1.00 20.15 H new ATOM 0 HD13 ILE A 44 -4.690 2.600 5.198 1.00 20.15 H new ATOM 633 N ALA A 45 -0.804 3.817 8.704 1.00 35.32 N ATOM 634 CA ALA A 45 0.399 3.005 8.861 1.00 1.34 C ATOM 635 C ALA A 45 0.608 2.593 10.323 1.00 51.00 C ATOM 636 O ALA A 45 1.221 1.561 10.603 1.00 10.01 O ATOM 637 CB ALA A 45 1.616 3.743 8.333 1.00 4.32 C ATOM 0 H ALA A 45 -0.628 4.768 8.381 1.00 35.32 H new ATOM 0 HA ALA A 45 0.265 2.096 8.275 1.00 1.34 H new ATOM 0 HB1 ALA A 45 2.502 3.121 8.459 1.00 4.32 H new ATOM 0 HB2 ALA A 45 1.476 3.965 7.275 1.00 4.32 H new ATOM 0 HB3 ALA A 45 1.745 4.674 8.885 1.00 4.32 H new ATOM 643 N VAL A 46 0.062 3.391 11.248 1.00 53.31 N ATOM 644 CA VAL A 46 0.164 3.106 12.673 1.00 51.33 C ATOM 645 C VAL A 46 -0.540 1.790 13.010 1.00 45.40 C ATOM 646 O VAL A 46 -0.026 0.977 13.771 1.00 33.34 O ATOM 647 CB VAL A 46 -0.383 4.278 13.538 1.00 12.01 C ATOM 648 CG1 VAL A 46 -0.331 3.944 15.021 1.00 42.24 C ATOM 649 CG2 VAL A 46 0.441 5.515 13.275 1.00 42.01 C ATOM 0 H VAL A 46 -0.456 4.242 11.028 1.00 53.31 H new ATOM 0 HA VAL A 46 1.221 3.000 12.915 1.00 51.33 H new ATOM 0 HB VAL A 46 -1.424 4.449 13.264 1.00 12.01 H new ATOM 0 HG11 VAL A 46 -0.720 4.784 15.597 1.00 42.24 H new ATOM 0 HG12 VAL A 46 -0.936 3.059 15.216 1.00 42.24 H new ATOM 0 HG13 VAL A 46 0.701 3.750 15.314 1.00 42.24 H new ATOM 0 HG21 VAL A 46 0.062 6.340 13.879 1.00 42.01 H new ATOM 0 HG22 VAL A 46 1.481 5.322 13.537 1.00 42.01 H new ATOM 0 HG23 VAL A 46 0.376 5.778 12.219 1.00 42.01 H new ATOM 659 N LEU A 47 -1.684 1.572 12.399 1.00 0.23 N ATOM 660 CA LEU A 47 -2.435 0.337 12.574 1.00 32.24 C ATOM 661 C LEU A 47 -1.679 -0.869 12.041 1.00 72.32 C ATOM 662 O LEU A 47 -1.738 -1.953 12.614 1.00 22.40 O ATOM 663 CB LEU A 47 -3.812 0.456 11.925 1.00 40.44 C ATOM 664 CG LEU A 47 -4.866 1.200 12.740 1.00 45.34 C ATOM 665 CD1 LEU A 47 -6.058 1.552 11.879 1.00 1.33 C ATOM 666 CD2 LEU A 47 -5.330 0.296 13.865 1.00 54.12 C ATOM 0 H LEU A 47 -2.124 2.241 11.767 1.00 0.23 H new ATOM 0 HA LEU A 47 -2.568 0.179 13.644 1.00 32.24 H new ATOM 0 HB2 LEU A 47 -3.699 0.960 10.965 1.00 40.44 H new ATOM 0 HB3 LEU A 47 -4.183 -0.547 11.716 1.00 40.44 H new ATOM 0 HG LEU A 47 -4.430 2.119 13.130 1.00 45.34 H new ATOM 0 HD11 LEU A 47 -6.797 2.082 12.480 1.00 1.33 H new ATOM 0 HD12 LEU A 47 -5.736 2.189 11.055 1.00 1.33 H new ATOM 0 HD13 LEU A 47 -6.501 0.639 11.480 1.00 1.33 H new ATOM 0 HD21 LEU A 47 -6.084 0.812 14.459 1.00 54.12 H new ATOM 0 HD22 LEU A 47 -5.758 -0.615 13.447 1.00 54.12 H new ATOM 0 HD23 LEU A 47 -4.482 0.040 14.500 1.00 54.12 H new ATOM 678 N PHE A 48 -0.942 -0.674 10.975 1.00 32.31 N ATOM 679 CA PHE A 48 -0.186 -1.759 10.385 1.00 33.40 C ATOM 680 C PHE A 48 1.066 -2.067 11.164 1.00 15.13 C ATOM 681 O PHE A 48 1.469 -3.235 11.280 1.00 73.35 O ATOM 682 CB PHE A 48 0.100 -1.510 8.917 1.00 3.24 C ATOM 683 CG PHE A 48 -1.117 -1.654 8.067 1.00 24.31 C ATOM 684 CD1 PHE A 48 -2.087 -0.672 8.039 1.00 11.42 C ATOM 685 CD2 PHE A 48 -1.303 -2.793 7.314 1.00 43.03 C ATOM 686 CE1 PHE A 48 -3.216 -0.821 7.274 1.00 34.51 C ATOM 687 CE2 PHE A 48 -2.431 -2.952 6.547 1.00 51.22 C ATOM 688 CZ PHE A 48 -3.391 -1.961 6.528 1.00 61.34 C ATOM 0 H PHE A 48 -0.847 0.222 10.497 1.00 32.31 H new ATOM 0 HA PHE A 48 -0.811 -2.650 10.440 1.00 33.40 H new ATOM 0 HB2 PHE A 48 0.508 -0.507 8.795 1.00 3.24 H new ATOM 0 HB3 PHE A 48 0.863 -2.209 8.575 1.00 3.24 H new ATOM 0 HD1 PHE A 48 -1.955 0.225 8.627 1.00 11.42 H new ATOM 0 HD2 PHE A 48 -0.553 -3.570 7.327 1.00 43.03 H new ATOM 0 HE1 PHE A 48 -3.966 -0.044 7.258 1.00 34.51 H new ATOM 0 HE2 PHE A 48 -2.566 -3.849 5.961 1.00 51.22 H new ATOM 0 HZ PHE A 48 -4.280 -2.082 5.927 1.00 61.34 H new ATOM 698 N LYS A 49 1.675 -1.046 11.732 1.00 40.00 N ATOM 699 CA LYS A 49 2.848 -1.263 12.533 1.00 3.32 C ATOM 700 C LYS A 49 2.457 -1.953 13.836 1.00 21.31 C ATOM 701 O LYS A 49 3.221 -2.730 14.387 1.00 3.32 O ATOM 702 CB LYS A 49 3.686 0.034 12.713 1.00 53.43 C ATOM 703 CG LYS A 49 3.114 1.148 13.589 1.00 14.14 C ATOM 704 CD LYS A 49 3.329 0.869 15.071 1.00 61.13 C ATOM 705 CE LYS A 49 2.794 1.996 15.933 1.00 60.01 C ATOM 706 NZ LYS A 49 3.131 1.806 17.354 1.00 12.33 N ATOM 0 H LYS A 49 1.378 -0.074 11.652 1.00 40.00 H new ATOM 0 HA LYS A 49 3.525 -1.939 12.010 1.00 3.32 H new ATOM 0 HB2 LYS A 49 4.654 -0.250 13.125 1.00 53.43 H new ATOM 0 HB3 LYS A 49 3.871 0.451 11.723 1.00 53.43 H new ATOM 0 HG2 LYS A 49 3.584 2.095 13.326 1.00 14.14 H new ATOM 0 HG3 LYS A 49 2.048 1.255 13.390 1.00 14.14 H new ATOM 0 HD2 LYS A 49 2.834 -0.064 15.342 1.00 61.13 H new ATOM 0 HD3 LYS A 49 4.393 0.734 15.266 1.00 61.13 H new ATOM 0 HE2 LYS A 49 3.204 2.945 15.586 1.00 60.01 H new ATOM 0 HE3 LYS A 49 1.711 2.056 15.821 1.00 60.01 H new ATOM 0 HZ1 LYS A 49 2.748 2.597 17.910 1.00 12.33 H new ATOM 0 HZ2 LYS A 49 2.719 0.913 17.692 1.00 12.33 H new ATOM 0 HZ3 LYS A 49 4.165 1.774 17.464 1.00 12.33 H new ATOM 720 N LYS A 50 1.248 -1.659 14.296 1.00 41.53 N ATOM 721 CA LYS A 50 0.666 -2.315 15.452 1.00 60.30 C ATOM 722 C LYS A 50 0.400 -3.786 15.215 1.00 63.11 C ATOM 723 O LYS A 50 0.734 -4.627 16.041 1.00 1.33 O ATOM 724 CB LYS A 50 -0.612 -1.642 15.850 1.00 1.33 C ATOM 725 CG LYS A 50 -0.369 -0.355 16.576 1.00 54.51 C ATOM 726 CD LYS A 50 -1.624 0.379 16.811 1.00 42.12 C ATOM 727 CE LYS A 50 -2.589 -0.384 17.711 1.00 2.14 C ATOM 728 NZ LYS A 50 -2.056 -0.602 19.074 1.00 63.22 N ATOM 0 H LYS A 50 0.643 -0.955 13.873 1.00 41.53 H new ATOM 0 HA LYS A 50 1.399 -2.233 16.255 1.00 60.30 H new ATOM 0 HB2 LYS A 50 -1.211 -1.448 14.960 1.00 1.33 H new ATOM 0 HB3 LYS A 50 -1.191 -2.312 16.485 1.00 1.33 H new ATOM 0 HG2 LYS A 50 0.117 -0.561 17.530 1.00 54.51 H new ATOM 0 HG3 LYS A 50 0.314 0.267 15.997 1.00 54.51 H new ATOM 0 HD2 LYS A 50 -1.397 1.344 17.264 1.00 42.12 H new ATOM 0 HD3 LYS A 50 -2.107 0.581 15.855 1.00 42.12 H new ATOM 0 HE2 LYS A 50 -3.528 0.166 17.777 1.00 2.14 H new ATOM 0 HE3 LYS A 50 -2.816 -1.348 17.257 1.00 2.14 H new ATOM 0 HZ1 LYS A 50 -2.811 -0.971 19.687 1.00 63.22 H new ATOM 0 HZ2 LYS A 50 -1.275 -1.288 19.036 1.00 63.22 H new ATOM 0 HZ3 LYS A 50 -1.707 0.299 19.458 1.00 63.22 H new ATOM 742 N LYS A 51 -0.204 -4.098 14.081 1.00 75.43 N ATOM 743 CA LYS A 51 -0.573 -5.458 13.769 1.00 45.52 C ATOM 744 C LYS A 51 0.599 -6.350 13.407 1.00 12.01 C ATOM 745 O LYS A 51 0.679 -7.493 13.873 1.00 32.41 O ATOM 746 CB LYS A 51 -1.598 -5.502 12.660 1.00 42.03 C ATOM 747 CG LYS A 51 -2.932 -4.907 13.029 1.00 32.24 C ATOM 748 CD LYS A 51 -3.889 -5.037 11.883 1.00 13.31 C ATOM 749 CE LYS A 51 -5.252 -4.441 12.203 1.00 51.32 C ATOM 750 NZ LYS A 51 -5.896 -5.099 13.360 1.00 11.15 N ATOM 0 H LYS A 51 -0.448 -3.419 13.360 1.00 75.43 H new ATOM 0 HA LYS A 51 -0.999 -5.854 14.691 1.00 45.52 H new ATOM 0 HB2 LYS A 51 -1.203 -4.971 11.794 1.00 42.03 H new ATOM 0 HB3 LYS A 51 -1.746 -6.539 12.358 1.00 42.03 H new ATOM 0 HG2 LYS A 51 -3.334 -5.412 13.907 1.00 32.24 H new ATOM 0 HG3 LYS A 51 -2.810 -3.857 13.293 1.00 32.24 H new ATOM 0 HD2 LYS A 51 -3.473 -4.540 11.007 1.00 13.31 H new ATOM 0 HD3 LYS A 51 -4.006 -6.090 11.627 1.00 13.31 H new ATOM 0 HE2 LYS A 51 -5.141 -3.376 12.409 1.00 51.32 H new ATOM 0 HE3 LYS A 51 -5.899 -4.531 11.330 1.00 51.32 H new ATOM 0 HZ1 LYS A 51 -6.888 -4.793 13.426 1.00 11.15 H new ATOM 0 HZ2 LYS A 51 -5.859 -6.131 13.237 1.00 11.15 H new ATOM 0 HZ3 LYS A 51 -5.394 -4.836 14.232 1.00 11.15 H new ATOM 764 N PHE A 52 1.503 -5.850 12.589 1.00 62.03 N ATOM 765 CA PHE A 52 2.567 -6.693 12.075 1.00 21.03 C ATOM 766 C PHE A 52 3.922 -6.453 12.745 1.00 51.12 C ATOM 767 O PHE A 52 4.797 -7.311 12.685 1.00 44.13 O ATOM 768 CB PHE A 52 2.680 -6.537 10.550 1.00 64.41 C ATOM 769 CG PHE A 52 1.388 -6.840 9.827 1.00 51.42 C ATOM 770 CD1 PHE A 52 0.922 -8.140 9.725 1.00 62.24 C ATOM 771 CD2 PHE A 52 0.628 -5.820 9.271 1.00 43.55 C ATOM 772 CE1 PHE A 52 -0.270 -8.418 9.083 1.00 21.52 C ATOM 773 CE2 PHE A 52 -0.565 -6.095 8.630 1.00 62.20 C ATOM 774 CZ PHE A 52 -1.012 -7.396 8.534 1.00 51.21 C ATOM 0 H PHE A 52 1.525 -4.882 12.269 1.00 62.03 H new ATOM 0 HA PHE A 52 2.291 -7.719 12.320 1.00 21.03 H new ATOM 0 HB2 PHE A 52 2.990 -5.518 10.317 1.00 64.41 H new ATOM 0 HB3 PHE A 52 3.461 -7.201 10.180 1.00 64.41 H new ATOM 0 HD1 PHE A 52 1.498 -8.947 10.153 1.00 62.24 H new ATOM 0 HD2 PHE A 52 0.973 -4.799 9.340 1.00 43.55 H new ATOM 0 HE1 PHE A 52 -0.620 -9.437 9.012 1.00 21.52 H new ATOM 0 HE2 PHE A 52 -1.147 -5.291 8.204 1.00 62.20 H new ATOM 0 HZ PHE A 52 -1.942 -7.613 8.029 1.00 51.21 H new ATOM 784 N GLY A 53 4.088 -5.324 13.409 1.00 32.21 N ATOM 785 CA GLY A 53 5.399 -5.004 13.977 1.00 43.10 C ATOM 786 C GLY A 53 6.316 -4.497 12.883 1.00 73.22 C ATOM 787 O GLY A 53 7.535 -4.726 12.894 1.00 10.30 O ATOM 0 H GLY A 53 3.360 -4.627 13.569 1.00 32.21 H new ATOM 0 HA2 GLY A 53 5.295 -4.250 14.757 1.00 43.10 H new ATOM 0 HA3 GLY A 53 5.830 -5.889 14.445 1.00 43.10 H new ATOM 791 N GLY A 54 5.703 -3.778 11.957 1.00 71.54 N ATOM 792 CA GLY A 54 6.344 -3.326 10.750 1.00 31.54 C ATOM 793 C GLY A 54 7.579 -2.471 10.923 1.00 14.00 C ATOM 794 O GLY A 54 8.497 -2.612 10.145 1.00 73.23 O ATOM 0 H GLY A 54 4.727 -3.491 12.032 1.00 71.54 H new ATOM 0 HA2 GLY A 54 6.615 -4.201 10.159 1.00 31.54 H new ATOM 0 HA3 GLY A 54 5.616 -2.761 10.168 1.00 31.54 H new ATOM 798 N VAL A 55 7.627 -1.623 11.957 1.00 53.41 N ATOM 799 CA VAL A 55 8.724 -0.645 12.118 1.00 23.24 C ATOM 800 C VAL A 55 10.113 -1.288 12.011 1.00 52.30 C ATOM 801 O VAL A 55 10.962 -0.821 11.257 1.00 23.33 O ATOM 802 CB VAL A 55 8.599 0.148 13.452 1.00 34.45 C ATOM 803 CG1 VAL A 55 9.781 1.080 13.646 1.00 74.15 C ATOM 804 CG2 VAL A 55 7.315 0.952 13.460 1.00 2.53 C ATOM 0 H VAL A 55 6.924 -1.589 12.696 1.00 53.41 H new ATOM 0 HA VAL A 55 8.622 0.054 11.288 1.00 23.24 H new ATOM 0 HB VAL A 55 8.586 -0.571 14.271 1.00 34.45 H new ATOM 0 HG11 VAL A 55 9.667 1.621 14.585 1.00 74.15 H new ATOM 0 HG12 VAL A 55 10.703 0.498 13.671 1.00 74.15 H new ATOM 0 HG13 VAL A 55 9.823 1.791 12.821 1.00 74.15 H new ATOM 0 HG21 VAL A 55 7.237 1.503 14.397 1.00 2.53 H new ATOM 0 HG22 VAL A 55 7.320 1.654 12.626 1.00 2.53 H new ATOM 0 HG23 VAL A 55 6.463 0.279 13.363 1.00 2.53 H new ATOM 814 N GLN A 56 10.319 -2.369 12.720 1.00 61.43 N ATOM 815 CA GLN A 56 11.578 -3.059 12.710 1.00 22.33 C ATOM 816 C GLN A 56 11.869 -3.665 11.362 1.00 32.23 C ATOM 817 O GLN A 56 12.952 -3.481 10.821 1.00 31.50 O ATOM 818 CB GLN A 56 11.648 -4.118 13.817 1.00 24.13 C ATOM 819 CG GLN A 56 11.621 -3.569 15.245 1.00 73.32 C ATOM 820 CD GLN A 56 10.300 -2.923 15.655 1.00 52.22 C ATOM 821 OE1 GLN A 56 9.184 -3.452 15.174 1.00 62.02 O flip ATOM 822 NE2 GLN A 56 10.287 -1.985 16.442 1.00 44.23 N flip ATOM 0 H GLN A 56 9.614 -2.795 13.322 1.00 61.43 H new ATOM 0 HA GLN A 56 12.351 -2.317 12.911 1.00 22.33 H new ATOM 0 HB2 GLN A 56 10.812 -4.806 13.693 1.00 24.13 H new ATOM 0 HB3 GLN A 56 12.561 -4.699 13.685 1.00 24.13 H new ATOM 0 HG2 GLN A 56 11.842 -4.382 15.937 1.00 73.32 H new ATOM 0 HG3 GLN A 56 12.418 -2.833 15.352 1.00 73.32 H new ATOM 0 HE21 GLN A 56 11.165 -1.602 16.793 1.00 44.23 H new ATOM 0 HE22 GLN A 56 9.399 -1.587 16.747 1.00 44.23 H new ATOM 831 N GLU A 57 10.908 -4.331 10.800 1.00 44.51 N ATOM 832 CA GLU A 57 11.116 -4.997 9.530 1.00 30.32 C ATOM 833 C GLU A 57 11.315 -3.989 8.397 1.00 41.21 C ATOM 834 O GLU A 57 12.020 -4.266 7.428 1.00 51.22 O ATOM 835 CB GLU A 57 9.998 -5.988 9.230 1.00 75.44 C ATOM 836 CG GLU A 57 9.865 -7.056 10.298 1.00 63.13 C ATOM 837 CD GLU A 57 8.873 -8.126 9.950 1.00 13.34 C ATOM 838 OE1 GLU A 57 7.680 -7.979 10.254 1.00 61.42 O ATOM 839 OE2 GLU A 57 9.277 -9.154 9.379 1.00 63.10 O ATOM 0 H GLU A 57 9.971 -4.434 11.191 1.00 44.51 H new ATOM 0 HA GLU A 57 12.037 -5.575 9.605 1.00 30.32 H new ATOM 0 HB2 GLU A 57 9.055 -5.450 9.140 1.00 75.44 H new ATOM 0 HB3 GLU A 57 10.187 -6.463 8.267 1.00 75.44 H new ATOM 0 HG2 GLU A 57 10.839 -7.515 10.466 1.00 63.13 H new ATOM 0 HG3 GLU A 57 9.568 -6.587 11.236 1.00 63.13 H new ATOM 846 N LEU A 58 10.711 -2.829 8.537 1.00 72.35 N ATOM 847 CA LEU A 58 10.871 -1.746 7.580 1.00 4.41 C ATOM 848 C LEU A 58 12.252 -1.111 7.723 1.00 12.23 C ATOM 849 O LEU A 58 12.971 -0.943 6.733 1.00 74.12 O ATOM 850 CB LEU A 58 9.772 -0.698 7.764 1.00 55.21 C ATOM 851 CG LEU A 58 8.335 -1.201 7.576 1.00 4.25 C ATOM 852 CD1 LEU A 58 7.336 -0.104 7.864 1.00 34.05 C ATOM 853 CD2 LEU A 58 8.133 -1.756 6.181 1.00 41.24 C ATOM 0 H LEU A 58 10.093 -2.606 9.317 1.00 72.35 H new ATOM 0 HA LEU A 58 10.783 -2.157 6.574 1.00 4.41 H new ATOM 0 HB2 LEU A 58 9.862 -0.276 8.765 1.00 55.21 H new ATOM 0 HB3 LEU A 58 9.948 0.114 7.059 1.00 55.21 H new ATOM 0 HG LEU A 58 8.168 -2.008 8.289 1.00 4.25 H new ATOM 0 HD11 LEU A 58 6.325 -0.486 7.723 1.00 34.05 H new ATOM 0 HD12 LEU A 58 7.456 0.236 8.893 1.00 34.05 H new ATOM 0 HD13 LEU A 58 7.506 0.731 7.184 1.00 34.05 H new ATOM 0 HD21 LEU A 58 7.106 -2.106 6.074 1.00 41.24 H new ATOM 0 HD22 LEU A 58 8.329 -0.975 5.447 1.00 41.24 H new ATOM 0 HD23 LEU A 58 8.819 -2.587 6.017 1.00 41.24 H new ATOM 865 N LEU A 59 12.632 -0.784 8.959 1.00 0.40 N ATOM 866 CA LEU A 59 13.935 -0.183 9.226 1.00 63.32 C ATOM 867 C LEU A 59 15.074 -1.135 8.905 1.00 1.31 C ATOM 868 O LEU A 59 16.124 -0.704 8.435 1.00 3.03 O ATOM 869 CB LEU A 59 14.043 0.347 10.659 1.00 63.33 C ATOM 870 CG LEU A 59 13.113 1.518 11.018 1.00 53.33 C ATOM 871 CD1 LEU A 59 13.311 1.928 12.464 1.00 30.25 C ATOM 872 CD2 LEU A 59 13.360 2.705 10.098 1.00 54.44 C ATOM 0 H LEU A 59 12.055 -0.926 9.788 1.00 0.40 H new ATOM 0 HA LEU A 59 14.024 0.673 8.557 1.00 63.32 H new ATOM 0 HB2 LEU A 59 13.840 -0.475 11.345 1.00 63.33 H new ATOM 0 HB3 LEU A 59 15.072 0.661 10.832 1.00 63.33 H new ATOM 0 HG LEU A 59 12.083 1.187 10.885 1.00 53.33 H new ATOM 0 HD11 LEU A 59 12.645 2.758 12.701 1.00 30.25 H new ATOM 0 HD12 LEU A 59 13.085 1.084 13.116 1.00 30.25 H new ATOM 0 HD13 LEU A 59 14.345 2.238 12.616 1.00 30.25 H new ATOM 0 HD21 LEU A 59 12.691 3.522 10.370 1.00 54.44 H new ATOM 0 HD22 LEU A 59 14.394 3.034 10.198 1.00 54.44 H new ATOM 0 HD23 LEU A 59 13.172 2.411 9.066 1.00 54.44 H new ATOM 884 N ASN A 60 14.877 -2.423 9.162 1.00 33.03 N ATOM 885 CA ASN A 60 15.886 -3.425 8.768 1.00 10.43 C ATOM 886 C ASN A 60 16.018 -3.560 7.252 1.00 51.41 C ATOM 887 O ASN A 60 17.096 -3.887 6.750 1.00 31.32 O ATOM 888 CB ASN A 60 15.699 -4.793 9.447 1.00 4.04 C ATOM 889 CG ASN A 60 16.131 -4.796 10.908 1.00 43.55 C ATOM 890 OD1 ASN A 60 17.291 -5.077 11.222 1.00 62.25 O ATOM 891 ND2 ASN A 60 15.229 -4.505 11.797 1.00 2.22 N ATOM 0 H ASN A 60 14.053 -2.801 9.629 1.00 33.03 H new ATOM 0 HA ASN A 60 16.832 -3.032 9.142 1.00 10.43 H new ATOM 0 HB2 ASN A 60 14.650 -5.084 9.383 1.00 4.04 H new ATOM 0 HB3 ASN A 60 16.272 -5.544 8.903 1.00 4.04 H new ATOM 0 HD21 ASN A 60 15.471 -4.504 12.788 1.00 2.22 H new ATOM 0 HD22 ASN A 60 14.279 -4.277 11.504 1.00 2.22 H new ATOM 898 N GLN A 61 14.932 -3.293 6.520 1.00 3.53 N ATOM 899 CA GLN A 61 14.998 -3.280 5.050 1.00 52.43 C ATOM 900 C GLN A 61 15.680 -2.017 4.584 1.00 32.23 C ATOM 901 O GLN A 61 16.254 -1.980 3.495 1.00 11.03 O ATOM 902 CB GLN A 61 13.609 -3.365 4.400 1.00 24.01 C ATOM 903 CG GLN A 61 12.914 -4.695 4.546 1.00 22.13 C ATOM 904 CD GLN A 61 11.537 -4.707 3.914 1.00 65.31 C ATOM 905 OE1 GLN A 61 11.378 -5.016 2.734 1.00 12.14 O ATOM 906 NE2 GLN A 61 10.535 -4.384 4.688 1.00 70.41 N ATOM 0 H GLN A 61 14.012 -3.086 6.909 1.00 3.53 H new ATOM 0 HA GLN A 61 15.564 -4.160 4.746 1.00 52.43 H new ATOM 0 HB2 GLN A 61 12.975 -2.592 4.833 1.00 24.01 H new ATOM 0 HB3 GLN A 61 13.707 -3.139 3.338 1.00 24.01 H new ATOM 0 HG2 GLN A 61 13.526 -5.472 4.089 1.00 22.13 H new ATOM 0 HG3 GLN A 61 12.826 -4.940 5.604 1.00 22.13 H new ATOM 0 HE21 GLN A 61 10.703 -4.133 5.662 1.00 70.41 H new ATOM 0 HE22 GLN A 61 9.584 -4.383 4.318 1.00 70.41 H new ATOM 915 N GLN A 62 15.594 -0.981 5.432 1.00 12.22 N ATOM 916 CA GLN A 62 16.149 0.343 5.200 1.00 54.12 C ATOM 917 C GLN A 62 15.955 0.835 3.787 1.00 51.54 C ATOM 918 O GLN A 62 16.883 0.956 2.989 1.00 75.25 O ATOM 919 CB GLN A 62 17.565 0.525 5.732 1.00 0.12 C ATOM 920 CG GLN A 62 18.556 -0.440 5.167 1.00 73.40 C ATOM 921 CD GLN A 62 19.938 -0.250 5.750 1.00 61.03 C ATOM 922 OE1 GLN A 62 20.288 -0.856 6.771 1.00 62.15 O ATOM 923 NE2 GLN A 62 20.727 0.587 5.133 1.00 22.45 N ATOM 0 H GLN A 62 15.116 -1.055 6.330 1.00 12.22 H new ATOM 0 HA GLN A 62 15.546 1.011 5.815 1.00 54.12 H new ATOM 0 HB2 GLN A 62 17.897 1.540 5.513 1.00 0.12 H new ATOM 0 HB3 GLN A 62 17.550 0.421 6.817 1.00 0.12 H new ATOM 0 HG2 GLN A 62 18.219 -1.458 5.361 1.00 73.40 H new ATOM 0 HG3 GLN A 62 18.601 -0.319 4.085 1.00 73.40 H new ATOM 0 HE21 GLN A 62 20.404 1.068 4.294 1.00 22.45 H new ATOM 0 HE22 GLN A 62 21.667 0.760 5.490 1.00 22.45 H new ATOM 932 N LYS A 63 14.736 0.994 3.465 1.00 71.40 N ATOM 933 CA LYS A 63 14.329 1.509 2.197 1.00 3.22 C ATOM 934 C LYS A 63 14.235 2.984 2.281 1.00 64.34 C ATOM 935 O LYS A 63 13.609 3.528 3.181 1.00 73.43 O ATOM 936 CB LYS A 63 13.021 0.909 1.779 1.00 12.13 C ATOM 937 CG LYS A 63 13.054 -0.594 1.515 1.00 62.02 C ATOM 938 CD LYS A 63 13.729 -1.027 0.181 1.00 61.41 C ATOM 939 CE LYS A 63 15.230 -1.428 0.273 1.00 14.33 C ATOM 940 NZ LYS A 63 16.164 -0.330 0.605 1.00 1.54 N ATOM 0 H LYS A 63 13.959 0.767 4.085 1.00 71.40 H new ATOM 0 HA LYS A 63 15.068 1.242 1.442 1.00 3.22 H new ATOM 0 HB2 LYS A 63 12.282 1.110 2.555 1.00 12.13 H new ATOM 0 HB3 LYS A 63 12.680 1.414 0.875 1.00 12.13 H new ATOM 0 HG2 LYS A 63 13.576 -1.078 2.340 1.00 62.02 H new ATOM 0 HG3 LYS A 63 12.030 -0.969 1.522 1.00 62.02 H new ATOM 0 HD2 LYS A 63 13.173 -1.871 -0.227 1.00 61.41 H new ATOM 0 HD3 LYS A 63 13.635 -0.208 -0.533 1.00 61.41 H new ATOM 0 HE2 LYS A 63 15.334 -2.210 1.026 1.00 14.33 H new ATOM 0 HE3 LYS A 63 15.531 -1.862 -0.681 1.00 14.33 H new ATOM 0 HZ1 LYS A 63 17.080 -0.501 0.142 1.00 1.54 H new ATOM 0 HZ2 LYS A 63 15.771 0.573 0.271 1.00 1.54 H new ATOM 0 HZ3 LYS A 63 16.299 -0.289 1.635 1.00 1.54 H new ATOM 954 N LYS A 64 14.878 3.605 1.384 1.00 3.23 N ATOM 955 CA LYS A 64 14.962 5.032 1.341 1.00 63.21 C ATOM 956 C LYS A 64 13.943 5.651 0.461 1.00 45.51 C ATOM 957 O LYS A 64 13.193 4.963 -0.229 1.00 31.22 O ATOM 958 CB LYS A 64 16.352 5.486 0.933 1.00 32.24 C ATOM 959 CG LYS A 64 17.351 5.534 2.076 1.00 1.53 C ATOM 960 CD LYS A 64 17.542 4.210 2.779 1.00 32.42 C ATOM 961 CE LYS A 64 18.376 4.390 4.025 1.00 41.12 C ATOM 962 NZ LYS A 64 17.707 5.272 5.023 1.00 41.05 N ATOM 0 H LYS A 64 15.381 3.139 0.629 1.00 3.23 H new ATOM 0 HA LYS A 64 14.756 5.374 2.355 1.00 63.21 H new ATOM 0 HB2 LYS A 64 16.730 4.814 0.163 1.00 32.24 H new ATOM 0 HB3 LYS A 64 16.282 6.477 0.485 1.00 32.24 H new ATOM 0 HG2 LYS A 64 18.313 5.872 1.691 1.00 1.53 H new ATOM 0 HG3 LYS A 64 17.021 6.276 2.803 1.00 1.53 H new ATOM 0 HD2 LYS A 64 16.572 3.787 3.041 1.00 32.42 H new ATOM 0 HD3 LYS A 64 18.028 3.502 2.108 1.00 32.42 H new ATOM 0 HE2 LYS A 64 18.570 3.416 4.475 1.00 41.12 H new ATOM 0 HE3 LYS A 64 19.343 4.816 3.756 1.00 41.12 H new ATOM 0 HZ1 LYS A 64 18.255 5.274 5.907 1.00 41.05 H new ATOM 0 HZ2 LYS A 64 17.651 6.240 4.648 1.00 41.05 H new ATOM 0 HZ3 LYS A 64 16.748 4.918 5.211 1.00 41.05 H new ATOM 976 N SER A 65 13.898 6.955 0.531 1.00 32.12 N ATOM 977 CA SER A 65 13.045 7.766 -0.274 1.00 20.12 C ATOM 978 C SER A 65 13.185 7.428 -1.761 1.00 5.23 C ATOM 979 O SER A 65 14.256 7.612 -2.370 1.00 0.10 O ATOM 980 CB SER A 65 13.343 9.233 0.031 1.00 54.40 C ATOM 981 OG SER A 65 14.749 9.497 0.016 1.00 24.24 O ATOM 0 H SER A 65 14.477 7.494 1.175 1.00 32.12 H new ATOM 0 HA SER A 65 12.002 7.565 -0.030 1.00 20.12 H new ATOM 0 HB2 SER A 65 12.845 9.867 -0.703 1.00 54.40 H new ATOM 0 HB3 SER A 65 12.933 9.493 1.007 1.00 54.40 H new ATOM 0 HG SER A 65 15.122 9.331 0.907 1.00 24.24 H new ATOM 987 N GLY A 66 12.112 6.905 -2.326 1.00 1.20 N ATOM 988 CA GLY A 66 12.124 6.491 -3.703 1.00 12.12 C ATOM 989 C GLY A 66 12.061 4.984 -3.825 1.00 23.41 C ATOM 990 O GLY A 66 12.052 4.439 -4.923 1.00 13.53 O ATOM 0 H GLY A 66 11.224 6.760 -1.846 1.00 1.20 H new ATOM 0 HA2 GLY A 66 11.278 6.936 -4.226 1.00 12.12 H new ATOM 0 HA3 GLY A 66 13.028 6.860 -4.188 1.00 12.12 H new ATOM 994 N GLU A 67 12.044 4.316 -2.698 1.00 11.25 N ATOM 995 CA GLU A 67 11.935 2.882 -2.639 1.00 10.53 C ATOM 996 C GLU A 67 10.661 2.504 -1.932 1.00 14.22 C ATOM 997 O GLU A 67 10.026 3.337 -1.279 1.00 51.22 O ATOM 998 CB GLU A 67 13.098 2.242 -1.896 1.00 15.34 C ATOM 999 CG GLU A 67 14.466 2.533 -2.448 1.00 21.42 C ATOM 1000 CD GLU A 67 15.507 1.710 -1.751 1.00 71.21 C ATOM 1001 OE1 GLU A 67 15.923 2.069 -0.622 1.00 25.13 O ATOM 1002 OE2 GLU A 67 15.896 0.662 -2.284 1.00 33.45 O ATOM 0 H GLU A 67 12.107 4.762 -1.783 1.00 11.25 H new ATOM 0 HA GLU A 67 11.942 2.518 -3.667 1.00 10.53 H new ATOM 0 HB2 GLU A 67 13.068 2.573 -0.858 1.00 15.34 H new ATOM 0 HB3 GLU A 67 12.951 1.162 -1.891 1.00 15.34 H new ATOM 0 HG2 GLU A 67 14.484 2.321 -3.517 1.00 21.42 H new ATOM 0 HG3 GLU A 67 14.693 3.592 -2.329 1.00 21.42 H new ATOM 1009 N VAL A 68 10.266 1.278 -2.087 1.00 34.30 N ATOM 1010 CA VAL A 68 9.103 0.782 -1.421 1.00 3.44 C ATOM 1011 C VAL A 68 9.508 -0.393 -0.537 1.00 14.34 C ATOM 1012 O VAL A 68 10.280 -1.265 -0.951 1.00 3.43 O ATOM 1013 CB VAL A 68 7.978 0.354 -2.425 1.00 71.01 C ATOM 1014 CG1 VAL A 68 8.360 -0.862 -3.256 1.00 50.24 C ATOM 1015 CG2 VAL A 68 6.678 0.107 -1.716 1.00 75.44 C ATOM 0 H VAL A 68 10.740 0.595 -2.678 1.00 34.30 H new ATOM 0 HA VAL A 68 8.686 1.585 -0.813 1.00 3.44 H new ATOM 0 HB VAL A 68 7.853 1.191 -3.112 1.00 71.01 H new ATOM 0 HG11 VAL A 68 7.543 -1.112 -3.933 1.00 50.24 H new ATOM 0 HG12 VAL A 68 9.256 -0.640 -3.836 1.00 50.24 H new ATOM 0 HG13 VAL A 68 8.555 -1.707 -2.596 1.00 50.24 H new ATOM 0 HG21 VAL A 68 5.919 -0.188 -2.440 1.00 75.44 H new ATOM 0 HG22 VAL A 68 6.809 -0.689 -0.983 1.00 75.44 H new ATOM 0 HG23 VAL A 68 6.361 1.018 -1.209 1.00 75.44 H new ATOM 1025 N ALA A 69 9.048 -0.382 0.677 1.00 3.41 N ATOM 1026 CA ALA A 69 9.323 -1.457 1.593 1.00 33.54 C ATOM 1027 C ALA A 69 8.175 -2.430 1.542 1.00 33.30 C ATOM 1028 O ALA A 69 7.027 -2.020 1.353 1.00 25.25 O ATOM 1029 CB ALA A 69 9.534 -0.924 2.997 1.00 10.04 C ATOM 0 H ALA A 69 8.473 0.367 1.064 1.00 3.41 H new ATOM 0 HA ALA A 69 10.242 -1.967 1.305 1.00 33.54 H new ATOM 0 HB1 ALA A 69 9.741 -1.753 3.674 1.00 10.04 H new ATOM 0 HB2 ALA A 69 10.377 -0.234 3.001 1.00 10.04 H new ATOM 0 HB3 ALA A 69 8.636 -0.402 3.327 1.00 10.04 H new ATOM 1035 N VAL A 70 8.458 -3.703 1.683 1.00 14.24 N ATOM 1036 CA VAL A 70 7.417 -4.699 1.560 1.00 14.32 C ATOM 1037 C VAL A 70 7.379 -5.588 2.797 1.00 53.15 C ATOM 1038 O VAL A 70 8.426 -5.994 3.316 1.00 54.41 O ATOM 1039 CB VAL A 70 7.627 -5.611 0.301 1.00 4.02 C ATOM 1040 CG1 VAL A 70 6.444 -6.549 0.094 1.00 10.23 C ATOM 1041 CG2 VAL A 70 7.901 -4.798 -0.966 1.00 51.01 C ATOM 0 H VAL A 70 9.388 -4.072 1.881 1.00 14.24 H new ATOM 0 HA VAL A 70 6.476 -4.159 1.453 1.00 14.32 H new ATOM 0 HB VAL A 70 8.514 -6.214 0.497 1.00 4.02 H new ATOM 0 HG11 VAL A 70 6.620 -7.168 -0.786 1.00 10.23 H new ATOM 0 HG12 VAL A 70 6.329 -7.188 0.970 1.00 10.23 H new ATOM 0 HG13 VAL A 70 5.536 -5.963 -0.050 1.00 10.23 H new ATOM 0 HG21 VAL A 70 8.039 -5.474 -1.809 1.00 51.01 H new ATOM 0 HG22 VAL A 70 7.056 -4.138 -1.165 1.00 51.01 H new ATOM 0 HG23 VAL A 70 8.803 -4.201 -0.828 1.00 51.01 H new ATOM 1051 N LEU A 71 6.190 -5.855 3.271 1.00 74.04 N ATOM 1052 CA LEU A 71 5.970 -6.792 4.352 1.00 13.14 C ATOM 1053 C LEU A 71 5.085 -7.894 3.845 1.00 54.11 C ATOM 1054 O LEU A 71 4.005 -7.629 3.323 1.00 73.14 O ATOM 1055 CB LEU A 71 5.299 -6.132 5.571 1.00 74.41 C ATOM 1056 CG LEU A 71 6.082 -5.017 6.274 1.00 21.21 C ATOM 1057 CD1 LEU A 71 5.310 -4.513 7.481 1.00 43.20 C ATOM 1058 CD2 LEU A 71 7.462 -5.508 6.700 1.00 63.13 C ATOM 0 H LEU A 71 5.335 -5.426 2.916 1.00 74.04 H new ATOM 0 HA LEU A 71 6.939 -7.171 4.677 1.00 13.14 H new ATOM 0 HB2 LEU A 71 4.340 -5.724 5.251 1.00 74.41 H new ATOM 0 HB3 LEU A 71 5.085 -6.910 6.304 1.00 74.41 H new ATOM 0 HG LEU A 71 6.213 -4.196 5.569 1.00 21.21 H new ATOM 0 HD11 LEU A 71 5.877 -3.722 7.971 1.00 43.20 H new ATOM 0 HD12 LEU A 71 4.345 -4.122 7.158 1.00 43.20 H new ATOM 0 HD13 LEU A 71 5.153 -5.334 8.181 1.00 43.20 H new ATOM 0 HD21 LEU A 71 7.999 -4.699 7.196 1.00 63.13 H new ATOM 0 HD22 LEU A 71 7.354 -6.347 7.387 1.00 63.13 H new ATOM 0 HD23 LEU A 71 8.021 -5.829 5.821 1.00 63.13 H new ATOM 1070 N LYS A 72 5.521 -9.102 3.961 1.00 64.35 N ATOM 1071 CA LYS A 72 4.726 -10.191 3.505 1.00 53.33 C ATOM 1072 C LYS A 72 4.185 -10.965 4.664 1.00 44.33 C ATOM 1073 O LYS A 72 4.913 -11.355 5.577 1.00 44.01 O ATOM 1074 CB LYS A 72 5.491 -11.110 2.554 1.00 5.33 C ATOM 1075 CG LYS A 72 4.654 -12.267 2.010 1.00 62.02 C ATOM 1076 CD LYS A 72 5.457 -13.148 1.072 1.00 50.33 C ATOM 1077 CE LYS A 72 4.620 -14.293 0.516 1.00 70.23 C ATOM 1078 NZ LYS A 72 4.148 -15.214 1.572 1.00 24.43 N ATOM 0 H LYS A 72 6.421 -9.360 4.366 1.00 64.35 H new ATOM 0 HA LYS A 72 3.894 -9.769 2.941 1.00 53.33 H new ATOM 0 HB2 LYS A 72 5.867 -10.521 1.718 1.00 5.33 H new ATOM 0 HB3 LYS A 72 6.359 -11.515 3.074 1.00 5.33 H new ATOM 0 HG2 LYS A 72 4.279 -12.866 2.840 1.00 62.02 H new ATOM 0 HG3 LYS A 72 3.785 -11.872 1.483 1.00 62.02 H new ATOM 0 HD2 LYS A 72 5.842 -12.546 0.249 1.00 50.33 H new ATOM 0 HD3 LYS A 72 6.319 -13.552 1.602 1.00 50.33 H new ATOM 0 HE2 LYS A 72 3.761 -13.885 -0.017 1.00 70.23 H new ATOM 0 HE3 LYS A 72 5.210 -14.851 -0.211 1.00 70.23 H new ATOM 0 HZ1 LYS A 72 3.732 -16.060 1.134 1.00 24.43 H new ATOM 0 HZ2 LYS A 72 4.950 -15.494 2.172 1.00 24.43 H new ATOM 0 HZ3 LYS A 72 3.430 -14.737 2.154 1.00 24.43 H new ATOM 1092 N ARG A 73 2.923 -11.145 4.629 1.00 63.42 N ATOM 1093 CA ARG A 73 2.213 -11.932 5.571 1.00 42.13 C ATOM 1094 C ARG A 73 1.289 -12.734 4.718 1.00 24.21 C ATOM 1095 O ARG A 73 0.518 -12.140 3.965 1.00 73.43 O ATOM 1096 CB ARG A 73 1.449 -11.018 6.557 1.00 70.31 C ATOM 1097 CG ARG A 73 0.858 -11.715 7.792 1.00 5.21 C ATOM 1098 CD ARG A 73 -0.294 -12.661 7.488 1.00 44.43 C ATOM 1099 NE ARG A 73 -0.786 -13.319 8.710 1.00 4.14 N ATOM 1100 CZ ARG A 73 -1.957 -13.967 8.833 1.00 34.02 C ATOM 1101 NH1 ARG A 73 -2.821 -13.997 7.818 1.00 21.01 N ATOM 1102 NH2 ARG A 73 -2.265 -14.558 9.985 1.00 10.31 N ATOM 0 H ARG A 73 2.325 -10.732 3.913 1.00 63.42 H new ATOM 0 HA ARG A 73 2.849 -12.563 6.192 1.00 42.13 H new ATOM 0 HB2 ARG A 73 2.126 -10.233 6.895 1.00 70.31 H new ATOM 0 HB3 ARG A 73 0.639 -10.529 6.016 1.00 70.31 H new ATOM 0 HG2 ARG A 73 1.649 -12.274 8.292 1.00 5.21 H new ATOM 0 HG3 ARG A 73 0.513 -10.955 8.493 1.00 5.21 H new ATOM 0 HD2 ARG A 73 -1.107 -12.107 7.019 1.00 44.43 H new ATOM 0 HD3 ARG A 73 0.032 -13.416 6.773 1.00 44.43 H new ATOM 0 HE ARG A 73 -0.186 -13.280 9.534 1.00 4.14 H new ATOM 0 HH11 ARG A 73 -2.595 -13.526 6.942 1.00 21.01 H new ATOM 0 HH12 ARG A 73 -3.708 -14.491 7.918 1.00 21.01 H new ATOM 0 HH21 ARG A 73 -1.614 -14.518 10.769 1.00 10.31 H new ATOM 0 HH22 ARG A 73 -3.152 -15.051 10.084 1.00 10.31 H new ATOM 1116 N ASP A 74 1.388 -14.056 4.809 1.00 24.24 N ATOM 1117 CA ASP A 74 0.687 -14.988 3.905 1.00 32.23 C ATOM 1118 C ASP A 74 -0.731 -14.562 3.574 1.00 52.52 C ATOM 1119 O ASP A 74 -1.639 -14.600 4.418 1.00 22.03 O ATOM 1120 CB ASP A 74 0.730 -16.423 4.411 1.00 42.32 C ATOM 1121 CG ASP A 74 0.057 -17.381 3.455 1.00 21.23 C ATOM 1122 OD1 ASP A 74 0.622 -17.655 2.362 1.00 34.41 O ATOM 1123 OD2 ASP A 74 -1.026 -17.889 3.775 1.00 14.05 O ATOM 0 H ASP A 74 1.958 -14.523 5.514 1.00 24.24 H new ATOM 0 HA ASP A 74 1.243 -14.949 2.968 1.00 32.23 H new ATOM 0 HB2 ASP A 74 1.767 -16.725 4.557 1.00 42.32 H new ATOM 0 HB3 ASP A 74 0.242 -16.479 5.384 1.00 42.32 H new ATOM 1128 N GLY A 75 -0.889 -14.123 2.348 1.00 73.01 N ATOM 1129 CA GLY A 75 -2.133 -13.608 1.882 1.00 63.13 C ATOM 1130 C GLY A 75 -1.935 -12.307 1.135 1.00 50.12 C ATOM 1131 O GLY A 75 -2.394 -12.158 0.006 1.00 33.31 O ATOM 0 H GLY A 75 -0.146 -14.118 1.649 1.00 73.01 H new ATOM 0 HA2 GLY A 75 -2.611 -14.338 1.228 1.00 63.13 H new ATOM 0 HA3 GLY A 75 -2.804 -13.448 2.726 1.00 63.13 H new ATOM 1135 N ARG A 76 -1.219 -11.372 1.741 1.00 20.53 N ATOM 1136 CA ARG A 76 -1.008 -10.076 1.126 1.00 25.55 C ATOM 1137 C ARG A 76 0.455 -9.668 1.161 1.00 2.42 C ATOM 1138 O ARG A 76 1.273 -10.234 1.903 1.00 14.34 O ATOM 1139 CB ARG A 76 -1.739 -8.983 1.883 1.00 44.12 C ATOM 1140 CG ARG A 76 -3.223 -9.130 2.086 1.00 35.34 C ATOM 1141 CD ARG A 76 -3.695 -7.889 2.793 1.00 64.42 C ATOM 1142 NE ARG A 76 -5.101 -7.891 3.163 1.00 74.42 N ATOM 1143 CZ ARG A 76 -6.026 -7.113 2.593 1.00 71.54 C ATOM 1144 NH1 ARG A 76 -5.804 -6.576 1.396 1.00 55.13 N ATOM 1145 NH2 ARG A 76 -7.190 -6.940 3.189 1.00 51.24 N ATOM 0 H ARG A 76 -0.777 -11.488 2.653 1.00 20.53 H new ATOM 0 HA ARG A 76 -1.371 -10.179 0.103 1.00 25.55 H new ATOM 0 HB2 ARG A 76 -1.276 -8.891 2.865 1.00 44.12 H new ATOM 0 HB3 ARG A 76 -1.566 -8.043 1.360 1.00 44.12 H new ATOM 0 HG2 ARG A 76 -3.733 -9.247 1.130 1.00 35.34 H new ATOM 0 HG3 ARG A 76 -3.445 -10.019 2.677 1.00 35.34 H new ATOM 0 HD2 ARG A 76 -3.098 -7.753 3.694 1.00 64.42 H new ATOM 0 HD3 ARG A 76 -3.505 -7.029 2.151 1.00 64.42 H new ATOM 0 HE ARG A 76 -5.400 -8.526 3.904 1.00 74.42 H new ATOM 0 HH11 ARG A 76 -4.926 -6.758 0.910 1.00 55.13 H new ATOM 0 HH12 ARG A 76 -6.512 -5.983 0.964 1.00 55.13 H new ATOM 0 HH21 ARG A 76 -7.380 -7.399 4.080 1.00 51.24 H new ATOM 0 HH22 ARG A 76 -7.900 -6.347 2.759 1.00 51.24 H new ATOM 1159 N TYR A 77 0.760 -8.686 0.358 1.00 22.41 N ATOM 1160 CA TYR A 77 2.013 -7.992 0.403 1.00 43.01 C ATOM 1161 C TYR A 77 1.700 -6.574 0.835 1.00 22.40 C ATOM 1162 O TYR A 77 0.841 -5.924 0.234 1.00 42.41 O ATOM 1163 CB TYR A 77 2.686 -7.972 -0.973 1.00 62.43 C ATOM 1164 CG TYR A 77 3.100 -9.325 -1.491 1.00 61.22 C ATOM 1165 CD1 TYR A 77 2.195 -10.152 -2.146 1.00 13.13 C ATOM 1166 CD2 TYR A 77 4.400 -9.770 -1.336 1.00 1.04 C ATOM 1167 CE1 TYR A 77 2.579 -11.384 -2.628 1.00 33.12 C ATOM 1168 CE2 TYR A 77 4.792 -10.998 -1.814 1.00 31.42 C ATOM 1169 CZ TYR A 77 3.880 -11.801 -2.458 1.00 11.54 C ATOM 1170 OH TYR A 77 4.274 -13.024 -2.944 1.00 23.31 O ATOM 0 H TYR A 77 0.127 -8.339 -0.363 1.00 22.41 H new ATOM 0 HA TYR A 77 2.698 -8.488 1.091 1.00 43.01 H new ATOM 0 HB2 TYR A 77 2.003 -7.517 -1.690 1.00 62.43 H new ATOM 0 HB3 TYR A 77 3.567 -7.332 -0.922 1.00 62.43 H new ATOM 0 HD1 TYR A 77 1.175 -9.824 -2.279 1.00 13.13 H new ATOM 0 HD2 TYR A 77 5.119 -9.142 -0.831 1.00 1.04 H new ATOM 0 HE1 TYR A 77 1.866 -12.017 -3.135 1.00 33.12 H new ATOM 0 HE2 TYR A 77 5.811 -11.330 -1.684 1.00 31.42 H new ATOM 0 HH TYR A 77 5.222 -13.166 -2.742 1.00 23.31 H new ATOM 1180 N ILE A 78 2.319 -6.112 1.876 1.00 1.24 N ATOM 1181 CA ILE A 78 2.064 -4.775 2.341 1.00 71.22 C ATOM 1182 C ILE A 78 3.176 -3.884 1.819 1.00 64.50 C ATOM 1183 O ILE A 78 4.350 -4.151 2.061 1.00 11.31 O ATOM 1184 CB ILE A 78 2.055 -4.680 3.894 1.00 63.12 C ATOM 1185 CG1 ILE A 78 1.251 -5.826 4.538 1.00 34.50 C ATOM 1186 CG2 ILE A 78 1.448 -3.346 4.314 1.00 32.35 C ATOM 1187 CD1 ILE A 78 -0.217 -5.838 4.192 1.00 24.25 C ATOM 0 H ILE A 78 3.004 -6.635 2.422 1.00 1.24 H new ATOM 0 HA ILE A 78 1.081 -4.469 1.982 1.00 71.22 H new ATOM 0 HB ILE A 78 3.086 -4.759 4.238 1.00 63.12 H new ATOM 0 HG12 ILE A 78 1.690 -6.776 4.233 1.00 34.50 H new ATOM 0 HG13 ILE A 78 1.355 -5.760 5.621 1.00 34.50 H new ATOM 0 HG21 ILE A 78 1.440 -3.276 5.402 1.00 32.35 H new ATOM 0 HG22 ILE A 78 2.042 -2.530 3.902 1.00 32.35 H new ATOM 0 HG23 ILE A 78 0.427 -3.277 3.939 1.00 32.35 H new ATOM 0 HD11 ILE A 78 -0.701 -6.678 4.690 1.00 24.25 H new ATOM 0 HD12 ILE A 78 -0.676 -4.907 4.523 1.00 24.25 H new ATOM 0 HD13 ILE A 78 -0.336 -5.938 3.113 1.00 24.25 H new ATOM 1199 N TYR A 79 2.818 -2.860 1.107 1.00 65.52 N ATOM 1200 CA TYR A 79 3.774 -1.942 0.549 1.00 72.01 C ATOM 1201 C TYR A 79 3.817 -0.657 1.326 1.00 33.14 C ATOM 1202 O TYR A 79 2.792 -0.177 1.844 1.00 31.30 O ATOM 1203 CB TYR A 79 3.472 -1.642 -0.913 1.00 13.25 C ATOM 1204 CG TYR A 79 3.601 -2.822 -1.828 1.00 63.42 C ATOM 1205 CD1 TYR A 79 2.544 -3.690 -2.035 1.00 12.33 C ATOM 1206 CD2 TYR A 79 4.789 -3.069 -2.488 1.00 24.24 C ATOM 1207 CE1 TYR A 79 2.674 -4.773 -2.870 1.00 73.30 C ATOM 1208 CE2 TYR A 79 4.921 -4.141 -3.323 1.00 52.33 C ATOM 1209 CZ TYR A 79 3.870 -4.989 -3.511 1.00 2.24 C ATOM 1210 OH TYR A 79 4.027 -6.075 -4.338 1.00 30.24 O ATOM 0 H TYR A 79 1.847 -2.632 0.893 1.00 65.52 H new ATOM 0 HA TYR A 79 4.749 -2.426 0.613 1.00 72.01 H new ATOM 0 HB2 TYR A 79 2.458 -1.249 -0.988 1.00 13.25 H new ATOM 0 HB3 TYR A 79 4.145 -0.856 -1.256 1.00 13.25 H new ATOM 0 HD1 TYR A 79 1.604 -3.514 -1.533 1.00 12.33 H new ATOM 0 HD2 TYR A 79 5.627 -2.403 -2.341 1.00 24.24 H new ATOM 0 HE1 TYR A 79 1.844 -5.448 -3.021 1.00 73.30 H new ATOM 0 HE2 TYR A 79 5.856 -4.317 -3.834 1.00 52.33 H new ATOM 0 HH TYR A 79 3.692 -5.856 -5.233 1.00 30.24 H new ATOM 1220 N TYR A 80 4.987 -0.123 1.431 1.00 51.12 N ATOM 1221 CA TYR A 80 5.224 1.126 2.078 1.00 72.24 C ATOM 1222 C TYR A 80 6.071 1.998 1.194 1.00 4.24 C ATOM 1223 O TYR A 80 7.272 1.769 1.055 1.00 35.40 O ATOM 1224 CB TYR A 80 5.912 0.916 3.420 1.00 53.24 C ATOM 1225 CG TYR A 80 5.074 0.194 4.435 1.00 44.44 C ATOM 1226 CD1 TYR A 80 5.076 -1.185 4.507 1.00 61.04 C ATOM 1227 CD2 TYR A 80 4.275 0.899 5.321 1.00 24.42 C ATOM 1228 CE1 TYR A 80 4.308 -1.842 5.427 1.00 71.20 C ATOM 1229 CE2 TYR A 80 3.503 0.248 6.250 1.00 44.33 C ATOM 1230 CZ TYR A 80 3.523 -1.125 6.298 1.00 34.35 C ATOM 1231 OH TYR A 80 2.749 -1.784 7.213 1.00 5.25 O ATOM 0 H TYR A 80 5.832 -0.556 1.058 1.00 51.12 H new ATOM 0 HA TYR A 80 4.267 1.615 2.259 1.00 72.24 H new ATOM 0 HB2 TYR A 80 6.832 0.355 3.260 1.00 53.24 H new ATOM 0 HB3 TYR A 80 6.197 1.887 3.825 1.00 53.24 H new ATOM 0 HD1 TYR A 80 5.693 -1.753 3.826 1.00 61.04 H new ATOM 0 HD2 TYR A 80 4.260 1.978 5.280 1.00 24.42 H new ATOM 0 HE1 TYR A 80 4.318 -2.921 5.469 1.00 71.20 H new ATOM 0 HE2 TYR A 80 2.886 0.809 6.936 1.00 44.33 H new ATOM 0 HH TYR A 80 2.899 -1.403 8.103 1.00 5.25 H new ATOM 1241 N LEU A 81 5.437 2.945 0.564 1.00 24.31 N ATOM 1242 CA LEU A 81 6.095 3.878 -0.305 1.00 72.42 C ATOM 1243 C LEU A 81 6.862 4.828 0.550 1.00 34.20 C ATOM 1244 O LEU A 81 6.275 5.521 1.380 1.00 72.55 O ATOM 1245 CB LEU A 81 5.039 4.665 -1.096 1.00 51.12 C ATOM 1246 CG LEU A 81 4.063 3.832 -1.918 1.00 42.43 C ATOM 1247 CD1 LEU A 81 3.026 4.718 -2.583 1.00 74.13 C ATOM 1248 CD2 LEU A 81 4.803 3.027 -2.953 1.00 51.31 C ATOM 0 H LEU A 81 4.431 3.093 0.641 1.00 24.31 H new ATOM 0 HA LEU A 81 6.754 3.357 -0.999 1.00 72.42 H new ATOM 0 HB2 LEU A 81 4.467 5.273 -0.395 1.00 51.12 H new ATOM 0 HB3 LEU A 81 5.554 5.353 -1.767 1.00 51.12 H new ATOM 0 HG LEU A 81 3.548 3.147 -1.244 1.00 42.43 H new ATOM 0 HD11 LEU A 81 2.340 4.102 -3.164 1.00 74.13 H new ATOM 0 HD12 LEU A 81 2.468 5.261 -1.820 1.00 74.13 H new ATOM 0 HD13 LEU A 81 3.524 5.428 -3.243 1.00 74.13 H new ATOM 0 HD21 LEU A 81 4.092 2.437 -3.532 1.00 51.31 H new ATOM 0 HD22 LEU A 81 5.344 3.700 -3.619 1.00 51.31 H new ATOM 0 HD23 LEU A 81 5.510 2.360 -2.459 1.00 51.31 H new ATOM 1260 N ILE A 82 8.141 4.862 0.386 1.00 11.04 N ATOM 1261 CA ILE A 82 8.935 5.746 1.169 1.00 21.24 C ATOM 1262 C ILE A 82 9.008 7.059 0.480 1.00 63.40 C ATOM 1263 O ILE A 82 9.674 7.210 -0.569 1.00 75.13 O ATOM 1264 CB ILE A 82 10.350 5.219 1.410 1.00 72.21 C ATOM 1265 CG1 ILE A 82 10.329 3.804 2.033 1.00 3.24 C ATOM 1266 CG2 ILE A 82 11.078 6.176 2.325 1.00 34.01 C ATOM 1267 CD1 ILE A 82 9.666 3.716 3.395 1.00 65.24 C ATOM 0 H ILE A 82 8.658 4.290 -0.281 1.00 11.04 H new ATOM 0 HA ILE A 82 8.460 5.839 2.146 1.00 21.24 H new ATOM 0 HB ILE A 82 10.865 5.148 0.452 1.00 72.21 H new ATOM 0 HG12 ILE A 82 9.813 3.129 1.350 1.00 3.24 H new ATOM 0 HG13 ILE A 82 11.355 3.446 2.120 1.00 3.24 H new ATOM 0 HG21 ILE A 82 12.089 5.810 2.504 1.00 34.01 H new ATOM 0 HG22 ILE A 82 11.125 7.160 1.859 1.00 34.01 H new ATOM 0 HG23 ILE A 82 10.545 6.249 3.273 1.00 34.01 H new ATOM 0 HD11 ILE A 82 9.700 2.686 3.750 1.00 65.24 H new ATOM 0 HD12 ILE A 82 10.193 4.360 4.099 1.00 65.24 H new ATOM 0 HD13 ILE A 82 8.628 4.039 3.316 1.00 65.24 H new ATOM 1279 N THR A 83 8.309 7.997 1.021 1.00 65.23 N ATOM 1280 CA THR A 83 8.293 9.280 0.486 1.00 14.40 C ATOM 1281 C THR A 83 9.558 10.021 0.844 1.00 52.10 C ATOM 1282 O THR A 83 10.336 10.327 -0.016 1.00 72.23 O ATOM 1283 CB THR A 83 7.026 10.044 0.889 1.00 12.13 C ATOM 1284 OG1 THR A 83 6.852 9.972 2.315 1.00 51.43 O ATOM 1285 CG2 THR A 83 5.814 9.441 0.177 1.00 41.20 C ATOM 0 H THR A 83 7.733 7.876 1.854 1.00 65.23 H new ATOM 0 HA THR A 83 8.264 9.199 -0.601 1.00 14.40 H new ATOM 0 HB THR A 83 7.123 11.090 0.597 1.00 12.13 H new ATOM 0 HG1 THR A 83 6.043 10.462 2.571 1.00 51.43 H new ATOM 0 HG21 THR A 83 4.915 9.986 0.465 1.00 41.20 H new ATOM 0 HG22 THR A 83 5.952 9.514 -0.902 1.00 41.20 H new ATOM 0 HG23 THR A 83 5.710 8.393 0.460 1.00 41.20 H new ATOM 1293 N LYS A 84 9.808 10.241 2.099 1.00 2.44 N ATOM 1294 CA LYS A 84 10.997 11.005 2.478 1.00 74.33 C ATOM 1295 C LYS A 84 11.627 10.564 3.783 1.00 53.01 C ATOM 1296 O LYS A 84 11.139 9.662 4.460 1.00 51.51 O ATOM 1297 CB LYS A 84 10.794 12.553 2.424 1.00 23.45 C ATOM 1298 CG LYS A 84 10.650 13.156 1.003 1.00 70.23 C ATOM 1299 CD LYS A 84 11.879 12.831 0.131 1.00 42.54 C ATOM 1300 CE LYS A 84 11.750 13.347 -1.298 1.00 1.25 C ATOM 1301 NZ LYS A 84 12.897 12.909 -2.140 1.00 10.15 N ATOM 0 H LYS A 84 9.230 9.918 2.875 1.00 2.44 H new ATOM 0 HA LYS A 84 11.719 10.761 1.699 1.00 74.33 H new ATOM 0 HB2 LYS A 84 9.903 12.806 2.999 1.00 23.45 H new ATOM 0 HB3 LYS A 84 11.640 13.031 2.919 1.00 23.45 H new ATOM 0 HG2 LYS A 84 9.750 12.764 0.528 1.00 70.23 H new ATOM 0 HG3 LYS A 84 10.527 14.237 1.075 1.00 70.23 H new ATOM 0 HD2 LYS A 84 12.768 13.265 0.589 1.00 42.54 H new ATOM 0 HD3 LYS A 84 12.027 11.751 0.109 1.00 42.54 H new ATOM 0 HE2 LYS A 84 10.818 12.986 -1.734 1.00 1.25 H new ATOM 0 HE3 LYS A 84 11.698 14.436 -1.290 1.00 1.25 H new ATOM 0 HZ1 LYS A 84 12.991 13.546 -2.957 1.00 10.15 H new ATOM 0 HZ2 LYS A 84 13.771 12.936 -1.577 1.00 10.15 H new ATOM 0 HZ3 LYS A 84 12.731 11.939 -2.475 1.00 10.15 H new ATOM 1315 N LYS A 85 12.732 11.223 4.110 1.00 40.01 N ATOM 1316 CA LYS A 85 13.571 10.922 5.276 1.00 45.44 C ATOM 1317 C LYS A 85 12.856 11.215 6.597 1.00 35.25 C ATOM 1318 O LYS A 85 13.251 10.718 7.635 1.00 11.42 O ATOM 1319 CB LYS A 85 14.832 11.787 5.206 1.00 23.12 C ATOM 1320 CG LYS A 85 15.573 11.696 3.886 1.00 63.11 C ATOM 1321 CD LYS A 85 16.821 12.563 3.874 1.00 63.04 C ATOM 1322 CE LYS A 85 17.521 12.472 2.530 1.00 15.32 C ATOM 1323 NZ LYS A 85 18.733 13.311 2.463 1.00 14.32 N ATOM 0 H LYS A 85 13.084 12.006 3.559 1.00 40.01 H new ATOM 0 HA LYS A 85 13.809 9.859 5.251 1.00 45.44 H new ATOM 0 HB2 LYS A 85 14.557 12.826 5.385 1.00 23.12 H new ATOM 0 HB3 LYS A 85 15.507 11.493 6.010 1.00 23.12 H new ATOM 0 HG2 LYS A 85 15.850 10.659 3.696 1.00 63.11 H new ATOM 0 HG3 LYS A 85 14.911 12.002 3.076 1.00 63.11 H new ATOM 0 HD2 LYS A 85 16.553 13.599 4.081 1.00 63.04 H new ATOM 0 HD3 LYS A 85 17.499 12.245 4.666 1.00 63.04 H new ATOM 0 HE2 LYS A 85 17.791 11.434 2.335 1.00 15.32 H new ATOM 0 HE3 LYS A 85 16.830 12.775 1.743 1.00 15.32 H new ATOM 0 HZ1 LYS A 85 19.172 13.212 1.525 1.00 14.32 H new ATOM 0 HZ2 LYS A 85 18.476 14.306 2.622 1.00 14.32 H new ATOM 0 HZ3 LYS A 85 19.407 13.007 3.195 1.00 14.32 H new ATOM 1337 N ARG A 86 11.825 12.040 6.541 1.00 64.34 N ATOM 1338 CA ARG A 86 11.092 12.465 7.729 1.00 70.21 C ATOM 1339 C ARG A 86 9.627 12.458 7.388 1.00 55.41 C ATOM 1340 O ARG A 86 9.271 12.749 6.240 1.00 61.23 O ATOM 1341 CB ARG A 86 11.479 13.904 8.093 1.00 31.25 C ATOM 1342 CG ARG A 86 12.959 14.138 8.333 1.00 51.31 C ATOM 1343 CD ARG A 86 13.435 13.488 9.592 1.00 21.13 C ATOM 1344 NE ARG A 86 14.893 13.599 9.730 1.00 71.13 N ATOM 1345 CZ ARG A 86 15.555 13.740 10.878 1.00 23.01 C ATOM 1346 NH1 ARG A 86 14.889 13.977 12.008 1.00 71.34 N ATOM 1347 NH2 ARG A 86 16.887 13.684 10.890 1.00 65.01 N ATOM 0 H ARG A 86 11.469 12.437 5.671 1.00 64.34 H new ATOM 0 HA ARG A 86 11.319 11.799 8.562 1.00 70.21 H new ATOM 0 HB2 ARG A 86 11.149 14.565 7.292 1.00 31.25 H new ATOM 0 HB3 ARG A 86 10.932 14.194 8.990 1.00 31.25 H new ATOM 0 HG2 ARG A 86 13.528 13.751 7.488 1.00 51.31 H new ATOM 0 HG3 ARG A 86 13.153 15.210 8.383 1.00 51.31 H new ATOM 0 HD2 ARG A 86 12.950 13.953 10.450 1.00 21.13 H new ATOM 0 HD3 ARG A 86 13.146 12.437 9.593 1.00 21.13 H new ATOM 0 HE ARG A 86 15.446 13.565 8.874 1.00 71.13 H new ATOM 0 HH11 ARG A 86 13.872 14.051 11.995 1.00 71.34 H new ATOM 0 HH12 ARG A 86 15.397 14.085 12.886 1.00 71.34 H new ATOM 0 HH21 ARG A 86 17.399 13.533 10.021 1.00 65.01 H new ATOM 0 HH22 ARG A 86 17.394 13.792 11.768 1.00 65.01 H new ATOM 1361 N ALA A 87 8.779 12.162 8.354 1.00 42.44 N ATOM 1362 CA ALA A 87 7.334 12.128 8.114 1.00 2.13 C ATOM 1363 C ALA A 87 6.764 13.542 7.939 1.00 70.55 C ATOM 1364 O ALA A 87 5.657 13.725 7.436 1.00 72.32 O ATOM 1365 CB ALA A 87 6.616 11.392 9.231 1.00 30.03 C ATOM 0 H ALA A 87 9.056 11.941 9.311 1.00 42.44 H new ATOM 0 HA ALA A 87 7.166 11.584 7.185 1.00 2.13 H new ATOM 0 HB1 ALA A 87 5.545 11.381 9.029 1.00 30.03 H new ATOM 0 HB2 ALA A 87 6.985 10.368 9.288 1.00 30.03 H new ATOM 0 HB3 ALA A 87 6.802 11.898 10.178 1.00 30.03 H new ATOM 1371 N SER A 88 7.522 14.531 8.373 1.00 55.33 N ATOM 1372 CA SER A 88 7.128 15.918 8.228 1.00 31.03 C ATOM 1373 C SER A 88 7.694 16.532 6.929 1.00 45.24 C ATOM 1374 O SER A 88 7.611 17.747 6.712 1.00 40.33 O ATOM 1375 CB SER A 88 7.576 16.706 9.452 1.00 33.30 C ATOM 1376 OG SER A 88 7.031 16.133 10.631 1.00 31.43 O ATOM 0 H SER A 88 8.422 14.396 8.833 1.00 55.33 H new ATOM 0 HA SER A 88 6.042 15.967 8.155 1.00 31.03 H new ATOM 0 HB2 SER A 88 8.664 16.712 9.511 1.00 33.30 H new ATOM 0 HB3 SER A 88 7.256 17.744 9.362 1.00 33.30 H new ATOM 0 HG SER A 88 7.327 16.647 11.411 1.00 31.43 H new ATOM 1382 N HIS A 89 8.263 15.689 6.071 1.00 14.33 N ATOM 1383 CA HIS A 89 8.747 16.142 4.775 1.00 23.34 C ATOM 1384 C HIS A 89 7.639 16.135 3.765 1.00 23.11 C ATOM 1385 O HIS A 89 6.673 15.378 3.884 1.00 23.44 O ATOM 1386 CB HIS A 89 9.937 15.325 4.250 1.00 33.44 C ATOM 1387 CG HIS A 89 11.278 15.690 4.809 1.00 22.12 C ATOM 1388 ND1 HIS A 89 12.465 15.275 4.238 1.00 15.33 N ATOM 1389 CD2 HIS A 89 11.627 16.421 5.879 1.00 50.11 C ATOM 1390 CE1 HIS A 89 13.479 15.728 4.934 1.00 34.25 C ATOM 1391 NE2 HIS A 89 13.004 16.433 5.937 1.00 55.43 N ATOM 0 H HIS A 89 8.399 14.694 6.251 1.00 14.33 H new ATOM 0 HA HIS A 89 9.104 17.161 4.925 1.00 23.34 H new ATOM 0 HB2 HIS A 89 9.751 14.272 4.461 1.00 33.44 H new ATOM 0 HB3 HIS A 89 9.976 15.431 3.166 1.00 33.44 H new ATOM 0 HD2 HIS A 89 10.953 16.910 6.567 1.00 50.11 H new ATOM 0 HE1 HIS A 89 14.523 15.553 4.721 1.00 34.25 H new ATOM 0 HE2 HIS A 89 13.564 16.911 6.643 1.00 55.43 H new ATOM 1400 N LYS A 90 7.786 16.956 2.784 1.00 50.40 N ATOM 1401 CA LYS A 90 6.792 17.104 1.743 1.00 31.33 C ATOM 1402 C LYS A 90 7.075 16.147 0.579 1.00 22.44 C ATOM 1403 O LYS A 90 8.192 16.121 0.048 1.00 53.24 O ATOM 1404 CB LYS A 90 6.759 18.565 1.282 1.00 45.22 C ATOM 1405 CG LYS A 90 6.391 19.516 2.413 1.00 54.15 C ATOM 1406 CD LYS A 90 6.463 20.968 2.002 1.00 2.31 C ATOM 1407 CE LYS A 90 6.092 21.867 3.175 1.00 53.44 C ATOM 1408 NZ LYS A 90 6.231 23.305 2.858 1.00 61.24 N ATOM 0 H LYS A 90 8.603 17.556 2.668 1.00 50.40 H new ATOM 0 HA LYS A 90 5.810 16.842 2.136 1.00 31.33 H new ATOM 0 HB2 LYS A 90 7.735 18.840 0.881 1.00 45.22 H new ATOM 0 HB3 LYS A 90 6.039 18.672 0.471 1.00 45.22 H new ATOM 0 HG2 LYS A 90 5.382 19.290 2.758 1.00 54.15 H new ATOM 0 HG3 LYS A 90 7.061 19.348 3.256 1.00 54.15 H new ATOM 0 HD2 LYS A 90 7.469 21.206 1.656 1.00 2.31 H new ATOM 0 HD3 LYS A 90 5.787 21.151 1.167 1.00 2.31 H new ATOM 0 HE2 LYS A 90 5.064 21.663 3.473 1.00 53.44 H new ATOM 0 HE3 LYS A 90 6.725 21.624 4.028 1.00 53.44 H new ATOM 0 HZ1 LYS A 90 5.966 23.871 3.689 1.00 61.24 H new ATOM 0 HZ2 LYS A 90 7.217 23.510 2.599 1.00 61.24 H new ATOM 0 HZ3 LYS A 90 5.607 23.547 2.062 1.00 61.24 H new ATOM 1422 N PRO A 91 6.079 15.314 0.192 1.00 53.31 N ATOM 1423 CA PRO A 91 6.228 14.350 -0.907 1.00 4.42 C ATOM 1424 C PRO A 91 6.390 15.030 -2.269 1.00 72.21 C ATOM 1425 O PRO A 91 5.806 16.083 -2.532 1.00 32.12 O ATOM 1426 CB PRO A 91 4.918 13.544 -0.877 1.00 43.12 C ATOM 1427 CG PRO A 91 4.286 13.857 0.436 1.00 1.22 C ATOM 1428 CD PRO A 91 4.740 15.238 0.798 1.00 12.40 C ATOM 0 HA PRO A 91 7.123 13.741 -0.778 1.00 4.42 H new ATOM 0 HB2 PRO A 91 4.265 13.826 -1.703 1.00 43.12 H new ATOM 0 HB3 PRO A 91 5.112 12.476 -0.974 1.00 43.12 H new ATOM 0 HG2 PRO A 91 3.199 13.810 0.366 1.00 1.22 H new ATOM 0 HG3 PRO A 91 4.588 13.136 1.196 1.00 1.22 H new ATOM 0 HD2 PRO A 91 4.072 16.001 0.398 1.00 12.40 H new ATOM 0 HD3 PRO A 91 4.777 15.381 1.878 1.00 12.40 H new ATOM 1436 N THR A 92 7.197 14.440 -3.111 1.00 51.11 N ATOM 1437 CA THR A 92 7.440 14.938 -4.426 1.00 4.10 C ATOM 1438 C THR A 92 6.889 13.968 -5.443 1.00 20.33 C ATOM 1439 O THR A 92 6.714 12.785 -5.130 1.00 64.40 O ATOM 1440 CB THR A 92 8.945 15.108 -4.633 1.00 52.51 C ATOM 1441 OG1 THR A 92 9.591 13.930 -4.249 1.00 41.10 O ATOM 1442 CG2 THR A 92 9.479 16.228 -3.815 1.00 62.12 C ATOM 0 H THR A 92 7.709 13.586 -2.892 1.00 51.11 H new ATOM 0 HA THR A 92 6.948 15.903 -4.549 1.00 4.10 H new ATOM 0 HB THR A 92 9.123 15.328 -5.686 1.00 52.51 H new ATOM 0 HG1 THR A 92 10.557 14.029 -4.380 1.00 41.10 H new ATOM 0 HG21 THR A 92 10.552 16.323 -3.984 1.00 62.12 H new ATOM 0 HG22 THR A 92 8.983 17.156 -4.100 1.00 62.12 H new ATOM 0 HG23 THR A 92 9.295 16.028 -2.760 1.00 62.12 H new ATOM 1450 N TYR A 93 6.622 14.442 -6.645 1.00 31.24 N ATOM 1451 CA TYR A 93 6.152 13.582 -7.703 1.00 14.54 C ATOM 1452 C TYR A 93 7.230 12.628 -8.114 1.00 3.30 C ATOM 1453 O TYR A 93 6.994 11.474 -8.201 1.00 24.15 O ATOM 1454 CB TYR A 93 5.683 14.368 -8.911 1.00 1.41 C ATOM 1455 CG TYR A 93 4.457 15.179 -8.663 1.00 43.13 C ATOM 1456 CD1 TYR A 93 3.211 14.604 -8.792 1.00 34.45 C ATOM 1457 CD2 TYR A 93 4.534 16.511 -8.310 1.00 34.12 C ATOM 1458 CE1 TYR A 93 2.078 15.327 -8.577 1.00 33.22 C ATOM 1459 CE2 TYR A 93 3.400 17.246 -8.096 1.00 14.22 C ATOM 1460 CZ TYR A 93 2.175 16.654 -8.228 1.00 3.33 C ATOM 1461 OH TYR A 93 1.036 17.396 -8.013 1.00 73.15 O ATOM 0 H TYR A 93 6.724 15.422 -6.909 1.00 31.24 H new ATOM 0 HA TYR A 93 5.299 13.029 -7.311 1.00 14.54 H new ATOM 0 HB2 TYR A 93 6.486 15.030 -9.236 1.00 1.41 H new ATOM 0 HB3 TYR A 93 5.490 13.676 -9.730 1.00 1.41 H new ATOM 0 HD1 TYR A 93 3.132 13.563 -9.068 1.00 34.45 H new ATOM 0 HD2 TYR A 93 5.501 16.979 -8.201 1.00 34.12 H new ATOM 0 HE1 TYR A 93 1.109 14.862 -8.680 1.00 33.22 H new ATOM 0 HE2 TYR A 93 3.472 18.289 -7.824 1.00 14.22 H new ATOM 0 HH TYR A 93 1.087 18.230 -8.525 1.00 73.15 H new ATOM 1471 N GLU A 94 8.429 13.149 -8.317 1.00 24.51 N ATOM 1472 CA GLU A 94 9.604 12.379 -8.737 1.00 73.34 C ATOM 1473 C GLU A 94 9.899 11.239 -7.779 1.00 33.11 C ATOM 1474 O GLU A 94 10.166 10.112 -8.197 1.00 34.20 O ATOM 1475 CB GLU A 94 10.764 13.392 -8.878 1.00 64.10 C ATOM 1476 CG GLU A 94 12.183 12.863 -9.002 1.00 4.45 C ATOM 1477 CD GLU A 94 12.861 12.613 -7.650 1.00 1.40 C ATOM 1478 OE1 GLU A 94 13.218 13.588 -6.970 1.00 73.43 O ATOM 1479 OE2 GLU A 94 13.040 11.456 -7.252 1.00 15.34 O ATOM 0 H GLU A 94 8.624 14.142 -8.193 1.00 24.51 H new ATOM 0 HA GLU A 94 9.438 11.882 -9.693 1.00 73.34 H new ATOM 0 HB2 GLU A 94 10.562 14.006 -9.756 1.00 64.10 H new ATOM 0 HB3 GLU A 94 10.732 14.054 -8.012 1.00 64.10 H new ATOM 0 HG2 GLU A 94 12.167 11.933 -9.570 1.00 4.45 H new ATOM 0 HG3 GLU A 94 12.779 13.575 -9.573 1.00 4.45 H new ATOM 1486 N ASN A 95 9.814 11.522 -6.531 1.00 4.45 N ATOM 1487 CA ASN A 95 10.052 10.525 -5.520 1.00 63.44 C ATOM 1488 C ASN A 95 8.892 9.539 -5.458 1.00 12.24 C ATOM 1489 O ASN A 95 9.102 8.326 -5.442 1.00 40.13 O ATOM 1490 CB ASN A 95 10.220 11.192 -4.192 1.00 14.12 C ATOM 1491 CG ASN A 95 10.486 10.241 -3.088 1.00 11.54 C ATOM 1492 OD1 ASN A 95 11.627 9.946 -2.773 1.00 65.12 O ATOM 1493 ND2 ASN A 95 9.443 9.767 -2.484 1.00 21.51 N ATOM 0 H ASN A 95 9.579 12.446 -6.169 1.00 4.45 H new ATOM 0 HA ASN A 95 10.960 9.977 -5.772 1.00 63.44 H new ATOM 0 HB2 ASN A 95 11.041 11.906 -4.253 1.00 14.12 H new ATOM 0 HB3 ASN A 95 9.319 11.761 -3.963 1.00 14.12 H new ATOM 0 HD21 ASN A 95 9.556 9.116 -1.707 1.00 21.51 H new ATOM 0 HD22 ASN A 95 8.509 10.045 -2.785 1.00 21.51 H new ATOM 1500 N LEU A 96 7.658 10.068 -5.406 1.00 33.22 N ATOM 1501 CA LEU A 96 6.462 9.219 -5.369 1.00 63.41 C ATOM 1502 C LEU A 96 6.419 8.324 -6.622 1.00 61.34 C ATOM 1503 O LEU A 96 6.028 7.164 -6.562 1.00 53.13 O ATOM 1504 CB LEU A 96 5.201 10.085 -5.280 1.00 14.15 C ATOM 1505 CG LEU A 96 3.866 9.352 -5.112 1.00 32.44 C ATOM 1506 CD1 LEU A 96 3.844 8.555 -3.810 1.00 32.12 C ATOM 1507 CD2 LEU A 96 2.722 10.347 -5.139 1.00 24.23 C ATOM 0 H LEU A 96 7.466 11.070 -5.389 1.00 33.22 H new ATOM 0 HA LEU A 96 6.502 8.582 -4.485 1.00 63.41 H new ATOM 0 HB2 LEU A 96 5.319 10.771 -4.441 1.00 14.15 H new ATOM 0 HB3 LEU A 96 5.143 10.693 -6.183 1.00 14.15 H new ATOM 0 HG LEU A 96 3.749 8.653 -5.940 1.00 32.44 H new ATOM 0 HD11 LEU A 96 2.886 8.043 -3.713 1.00 32.12 H new ATOM 0 HD12 LEU A 96 4.649 7.820 -3.820 1.00 32.12 H new ATOM 0 HD13 LEU A 96 3.981 9.232 -2.967 1.00 32.12 H new ATOM 0 HD21 LEU A 96 1.777 9.818 -5.019 1.00 24.23 H new ATOM 0 HD22 LEU A 96 2.843 11.063 -4.326 1.00 24.23 H new ATOM 0 HD23 LEU A 96 2.723 10.877 -6.092 1.00 24.23 H new ATOM 1519 N GLN A 97 6.863 8.877 -7.726 1.00 51.24 N ATOM 1520 CA GLN A 97 7.000 8.206 -8.979 1.00 34.23 C ATOM 1521 C GLN A 97 7.840 6.950 -8.798 1.00 50.10 C ATOM 1522 O GLN A 97 7.417 5.855 -9.151 1.00 12.04 O ATOM 1523 CB GLN A 97 7.678 9.202 -9.919 1.00 61.21 C ATOM 1524 CG GLN A 97 8.099 8.686 -11.228 1.00 5.23 C ATOM 1525 CD GLN A 97 8.701 9.758 -12.094 1.00 61.10 C ATOM 1526 OE1 GLN A 97 9.920 9.986 -12.070 1.00 30.24 O ATOM 1527 NE2 GLN A 97 7.877 10.428 -12.860 1.00 41.14 N ATOM 0 H GLN A 97 7.150 9.855 -7.767 1.00 51.24 H new ATOM 0 HA GLN A 97 6.040 7.890 -9.386 1.00 34.23 H new ATOM 0 HB2 GLN A 97 6.994 10.035 -10.084 1.00 61.21 H new ATOM 0 HB3 GLN A 97 8.555 9.606 -9.413 1.00 61.21 H new ATOM 0 HG2 GLN A 97 8.826 7.886 -11.085 1.00 5.23 H new ATOM 0 HG3 GLN A 97 7.240 8.249 -11.738 1.00 5.23 H new ATOM 0 HE21 GLN A 97 6.881 10.210 -12.851 1.00 41.14 H new ATOM 0 HE22 GLN A 97 8.232 11.168 -13.466 1.00 41.14 H new ATOM 1536 N LYS A 98 8.982 7.122 -8.171 1.00 11.10 N ATOM 1537 CA LYS A 98 9.912 6.042 -7.904 1.00 42.15 C ATOM 1538 C LYS A 98 9.315 4.988 -6.979 1.00 73.41 C ATOM 1539 O LYS A 98 9.528 3.787 -7.186 1.00 12.24 O ATOM 1540 CB LYS A 98 11.196 6.611 -7.332 1.00 52.34 C ATOM 1541 CG LYS A 98 11.965 7.451 -8.321 1.00 11.22 C ATOM 1542 CD LYS A 98 13.135 8.134 -7.674 1.00 20.42 C ATOM 1543 CE LYS A 98 13.936 8.909 -8.692 1.00 61.21 C ATOM 1544 NZ LYS A 98 14.959 9.746 -8.046 1.00 74.23 N ATOM 0 H LYS A 98 9.298 8.029 -7.826 1.00 11.10 H new ATOM 0 HA LYS A 98 10.131 5.538 -8.845 1.00 42.15 H new ATOM 0 HB2 LYS A 98 10.960 7.216 -6.457 1.00 52.34 H new ATOM 0 HB3 LYS A 98 11.829 5.792 -6.991 1.00 52.34 H new ATOM 0 HG2 LYS A 98 12.317 6.821 -9.138 1.00 11.22 H new ATOM 0 HG3 LYS A 98 11.302 8.198 -8.757 1.00 11.22 H new ATOM 0 HD2 LYS A 98 12.782 8.808 -6.894 1.00 20.42 H new ATOM 0 HD3 LYS A 98 13.772 7.393 -7.191 1.00 20.42 H new ATOM 0 HE2 LYS A 98 14.415 8.216 -9.384 1.00 61.21 H new ATOM 0 HE3 LYS A 98 13.268 9.538 -9.281 1.00 61.21 H new ATOM 0 HZ1 LYS A 98 15.667 10.035 -8.751 1.00 74.23 H new ATOM 0 HZ2 LYS A 98 14.510 10.591 -7.639 1.00 74.23 H new ATOM 0 HZ3 LYS A 98 15.425 9.204 -7.290 1.00 74.23 H new ATOM 1558 N SER A 99 8.561 5.425 -5.975 1.00 21.25 N ATOM 1559 CA SER A 99 7.914 4.500 -5.065 1.00 41.21 C ATOM 1560 C SER A 99 6.844 3.638 -5.810 1.00 64.10 C ATOM 1561 O SER A 99 6.725 2.426 -5.572 1.00 45.24 O ATOM 1562 CB SER A 99 7.367 5.246 -3.816 1.00 22.12 C ATOM 1563 OG SER A 99 6.431 6.251 -4.140 1.00 24.21 O ATOM 0 H SER A 99 8.386 6.410 -5.776 1.00 21.25 H new ATOM 0 HA SER A 99 8.652 3.792 -4.689 1.00 41.21 H new ATOM 0 HB2 SER A 99 6.900 4.525 -3.145 1.00 22.12 H new ATOM 0 HB3 SER A 99 8.200 5.694 -3.274 1.00 22.12 H new ATOM 0 HG SER A 99 6.284 6.261 -5.109 1.00 24.21 H new ATOM 1569 N LEU A 100 6.109 4.263 -6.748 1.00 44.13 N ATOM 1570 CA LEU A 100 5.145 3.555 -7.601 1.00 51.35 C ATOM 1571 C LEU A 100 5.853 2.574 -8.536 1.00 1.15 C ATOM 1572 O LEU A 100 5.397 1.436 -8.710 1.00 42.34 O ATOM 1573 CB LEU A 100 4.306 4.567 -8.407 1.00 12.11 C ATOM 1574 CG LEU A 100 3.090 5.240 -7.716 1.00 41.11 C ATOM 1575 CD1 LEU A 100 1.927 4.281 -7.652 1.00 15.24 C ATOM 1576 CD2 LEU A 100 3.408 5.711 -6.309 1.00 41.53 C ATOM 0 H LEU A 100 6.168 5.264 -6.933 1.00 44.13 H new ATOM 0 HA LEU A 100 4.478 2.979 -6.959 1.00 51.35 H new ATOM 0 HB2 LEU A 100 4.976 5.359 -8.744 1.00 12.11 H new ATOM 0 HB3 LEU A 100 3.940 4.058 -9.299 1.00 12.11 H new ATOM 0 HG LEU A 100 2.835 6.112 -8.318 1.00 41.11 H new ATOM 0 HD11 LEU A 100 1.081 4.767 -7.165 1.00 15.24 H new ATOM 0 HD12 LEU A 100 1.643 3.985 -8.662 1.00 15.24 H new ATOM 0 HD13 LEU A 100 2.215 3.397 -7.083 1.00 15.24 H new ATOM 0 HD21 LEU A 100 2.523 6.174 -5.872 1.00 41.53 H new ATOM 0 HD22 LEU A 100 3.711 4.859 -5.700 1.00 41.53 H new ATOM 0 HD23 LEU A 100 4.219 6.439 -6.343 1.00 41.53 H new ATOM 1588 N GLU A 101 6.974 3.009 -9.125 1.00 31.35 N ATOM 1589 CA GLU A 101 7.781 2.148 -10.008 1.00 43.43 C ATOM 1590 C GLU A 101 8.240 0.937 -9.248 1.00 32.51 C ATOM 1591 O GLU A 101 8.139 -0.198 -9.718 1.00 51.20 O ATOM 1592 CB GLU A 101 9.011 2.887 -10.512 1.00 22.21 C ATOM 1593 CG GLU A 101 8.696 4.134 -11.256 1.00 0.53 C ATOM 1594 CD GLU A 101 9.925 4.806 -11.801 1.00 63.32 C ATOM 1595 OE1 GLU A 101 10.586 5.558 -11.059 1.00 53.22 O ATOM 1596 OE2 GLU A 101 10.259 4.583 -12.981 1.00 45.14 O ATOM 0 H GLU A 101 7.345 3.952 -9.008 1.00 31.35 H new ATOM 0 HA GLU A 101 7.160 1.859 -10.856 1.00 43.43 H new ATOM 0 HB2 GLU A 101 9.650 3.132 -9.663 1.00 22.21 H new ATOM 0 HB3 GLU A 101 9.583 2.223 -11.160 1.00 22.21 H new ATOM 0 HG2 GLU A 101 8.019 3.902 -12.078 1.00 0.53 H new ATOM 0 HG3 GLU A 101 8.171 4.824 -10.596 1.00 0.53 H new ATOM 1603 N ALA A 102 8.735 1.199 -8.077 1.00 34.21 N ATOM 1604 CA ALA A 102 9.212 0.169 -7.174 1.00 31.03 C ATOM 1605 C ALA A 102 8.122 -0.874 -6.883 1.00 74.05 C ATOM 1606 O ALA A 102 8.387 -2.091 -6.908 1.00 23.33 O ATOM 1607 CB ALA A 102 9.739 0.786 -5.889 1.00 44.01 C ATOM 0 H ALA A 102 8.825 2.145 -7.706 1.00 34.21 H new ATOM 0 HA ALA A 102 10.035 -0.351 -7.665 1.00 31.03 H new ATOM 0 HB1 ALA A 102 10.092 -0.003 -5.225 1.00 44.01 H new ATOM 0 HB2 ALA A 102 10.563 1.461 -6.121 1.00 44.01 H new ATOM 0 HB3 ALA A 102 8.941 1.343 -5.399 1.00 44.01 H new ATOM 1613 N MET A 103 6.892 -0.400 -6.630 1.00 42.22 N ATOM 1614 CA MET A 103 5.764 -1.303 -6.399 1.00 14.13 C ATOM 1615 C MET A 103 5.450 -2.140 -7.601 1.00 13.21 C ATOM 1616 O MET A 103 5.374 -3.367 -7.494 1.00 21.33 O ATOM 1617 CB MET A 103 4.487 -0.593 -5.968 1.00 45.24 C ATOM 1618 CG MET A 103 4.488 -0.052 -4.581 1.00 62.43 C ATOM 1619 SD MET A 103 2.842 0.489 -4.069 1.00 14.51 S ATOM 1620 CE MET A 103 2.454 1.687 -5.336 1.00 51.25 C ATOM 0 H MET A 103 6.659 0.592 -6.581 1.00 42.22 H new ATOM 0 HA MET A 103 6.099 -1.938 -5.579 1.00 14.13 H new ATOM 0 HB2 MET A 103 4.299 0.229 -6.659 1.00 45.24 H new ATOM 0 HB3 MET A 103 3.654 -1.290 -6.066 1.00 45.24 H new ATOM 0 HG2 MET A 103 4.849 -0.816 -3.893 1.00 62.43 H new ATOM 0 HG3 MET A 103 5.182 0.786 -4.519 1.00 62.43 H new ATOM 0 HE1 MET A 103 1.480 2.132 -5.130 1.00 51.25 H new ATOM 0 HE2 MET A 103 3.215 2.467 -5.344 1.00 51.25 H new ATOM 0 HE3 MET A 103 2.430 1.194 -6.308 1.00 51.25 H new ATOM 1630 N LYS A 104 5.266 -1.492 -8.751 1.00 71.41 N ATOM 1631 CA LYS A 104 4.887 -2.183 -9.960 1.00 11.34 C ATOM 1632 C LYS A 104 5.935 -3.218 -10.347 1.00 13.22 C ATOM 1633 O LYS A 104 5.606 -4.299 -10.808 1.00 71.04 O ATOM 1634 CB LYS A 104 4.556 -1.172 -11.093 1.00 50.01 C ATOM 1635 CG LYS A 104 5.695 -0.347 -11.670 1.00 30.40 C ATOM 1636 CD LYS A 104 6.562 -1.133 -12.645 1.00 33.24 C ATOM 1637 CE LYS A 104 7.688 -0.289 -13.206 1.00 32.44 C ATOM 1638 NZ LYS A 104 8.527 -1.055 -14.153 1.00 23.53 N ATOM 0 H LYS A 104 5.377 -0.484 -8.860 1.00 71.41 H new ATOM 0 HA LYS A 104 3.969 -2.742 -9.779 1.00 11.34 H new ATOM 0 HB2 LYS A 104 4.098 -1.727 -11.912 1.00 50.01 H new ATOM 0 HB3 LYS A 104 3.802 -0.482 -10.714 1.00 50.01 H new ATOM 0 HG2 LYS A 104 5.284 0.525 -12.179 1.00 30.40 H new ATOM 0 HG3 LYS A 104 6.317 0.023 -10.855 1.00 30.40 H new ATOM 0 HD2 LYS A 104 6.978 -2.004 -12.140 1.00 33.24 H new ATOM 0 HD3 LYS A 104 5.944 -1.504 -13.463 1.00 33.24 H new ATOM 0 HE2 LYS A 104 7.272 0.583 -13.711 1.00 32.44 H new ATOM 0 HE3 LYS A 104 8.307 0.081 -12.389 1.00 32.44 H new ATOM 0 HZ1 LYS A 104 9.287 -0.444 -14.516 1.00 23.53 H new ATOM 0 HZ2 LYS A 104 8.944 -1.873 -13.664 1.00 23.53 H new ATOM 0 HZ3 LYS A 104 7.941 -1.387 -14.946 1.00 23.53 H new ATOM 1652 N SER A 105 7.198 -2.882 -10.095 1.00 72.41 N ATOM 1653 CA SER A 105 8.307 -3.762 -10.366 1.00 22.54 C ATOM 1654 C SER A 105 8.174 -5.018 -9.520 1.00 54.31 C ATOM 1655 O SER A 105 8.226 -6.133 -10.033 1.00 62.03 O ATOM 1656 CB SER A 105 9.629 -3.038 -10.057 1.00 75.12 C ATOM 1657 OG SER A 105 10.755 -3.843 -10.350 1.00 24.52 O ATOM 0 H SER A 105 7.471 -1.984 -9.695 1.00 72.41 H new ATOM 0 HA SER A 105 8.304 -4.046 -11.418 1.00 22.54 H new ATOM 0 HB2 SER A 105 9.682 -2.116 -10.636 1.00 75.12 H new ATOM 0 HB3 SER A 105 9.650 -2.755 -9.005 1.00 75.12 H new ATOM 0 HG SER A 105 11.574 -3.347 -10.142 1.00 24.52 H new ATOM 1663 N HIS A 106 7.955 -4.829 -8.226 1.00 51.01 N ATOM 1664 CA HIS A 106 7.812 -5.943 -7.312 1.00 51.00 C ATOM 1665 C HIS A 106 6.607 -6.788 -7.653 1.00 21.03 C ATOM 1666 O HIS A 106 6.669 -8.005 -7.566 1.00 14.42 O ATOM 1667 CB HIS A 106 7.741 -5.476 -5.862 1.00 43.44 C ATOM 1668 CG HIS A 106 7.631 -6.612 -4.899 1.00 50.34 C ATOM 1669 ND1 HIS A 106 6.596 -6.757 -4.025 1.00 24.32 N ATOM 1670 CD2 HIS A 106 8.451 -7.642 -4.678 1.00 53.24 C ATOM 1671 CE1 HIS A 106 6.778 -7.815 -3.293 1.00 50.00 C ATOM 1672 NE2 HIS A 106 7.903 -8.381 -3.660 1.00 0.43 N ATOM 0 H HIS A 106 7.873 -3.911 -7.789 1.00 51.01 H new ATOM 0 HA HIS A 106 8.703 -6.560 -7.424 1.00 51.00 H new ATOM 0 HB2 HIS A 106 8.631 -4.891 -5.628 1.00 43.44 H new ATOM 0 HB3 HIS A 106 6.883 -4.815 -5.738 1.00 43.44 H new ATOM 0 HD1 HIS A 106 5.796 -6.128 -3.956 1.00 24.32 H new ATOM 0 HD2 HIS A 106 9.372 -7.854 -5.201 1.00 53.24 H new ATOM 0 HE1 HIS A 106 6.116 -8.168 -2.516 1.00 50.00 H new ATOM 1681 N CYS A 107 5.535 -6.151 -8.052 1.00 23.34 N ATOM 1682 CA CYS A 107 4.324 -6.860 -8.397 1.00 62.12 C ATOM 1683 C CYS A 107 4.568 -7.827 -9.561 1.00 21.31 C ATOM 1684 O CYS A 107 4.001 -8.912 -9.601 1.00 41.22 O ATOM 1685 CB CYS A 107 3.199 -5.880 -8.711 1.00 41.14 C ATOM 1686 SG CYS A 107 2.781 -4.798 -7.326 1.00 60.11 S ATOM 0 H CYS A 107 5.474 -5.137 -8.147 1.00 23.34 H new ATOM 0 HA CYS A 107 4.017 -7.455 -7.537 1.00 62.12 H new ATOM 0 HB2 CYS A 107 3.488 -5.268 -9.566 1.00 41.14 H new ATOM 0 HB3 CYS A 107 2.311 -6.440 -9.006 1.00 41.14 H new ATOM 0 HG CYS A 107 3.748 -3.952 -7.129 1.00 60.11 H new ATOM 1692 N LEU A 108 5.443 -7.440 -10.466 1.00 30.41 N ATOM 1693 CA LEU A 108 5.797 -8.261 -11.606 1.00 65.12 C ATOM 1694 C LEU A 108 6.603 -9.466 -11.176 1.00 62.32 C ATOM 1695 O LEU A 108 6.405 -10.569 -11.675 1.00 42.24 O ATOM 1696 CB LEU A 108 6.639 -7.446 -12.575 1.00 33.54 C ATOM 1697 CG LEU A 108 6.000 -6.194 -13.139 1.00 63.20 C ATOM 1698 CD1 LEU A 108 6.964 -5.485 -14.062 1.00 10.44 C ATOM 1699 CD2 LEU A 108 4.713 -6.538 -13.851 1.00 72.02 C ATOM 0 H LEU A 108 5.930 -6.545 -10.432 1.00 30.41 H new ATOM 0 HA LEU A 108 4.875 -8.596 -12.081 1.00 65.12 H new ATOM 0 HB2 LEU A 108 7.561 -7.160 -12.068 1.00 33.54 H new ATOM 0 HB3 LEU A 108 6.920 -8.090 -13.408 1.00 33.54 H new ATOM 0 HG LEU A 108 5.760 -5.518 -12.319 1.00 63.20 H new ATOM 0 HD11 LEU A 108 6.492 -4.587 -14.461 1.00 10.44 H new ATOM 0 HD12 LEU A 108 7.861 -5.208 -13.508 1.00 10.44 H new ATOM 0 HD13 LEU A 108 7.235 -6.148 -14.884 1.00 10.44 H new ATOM 0 HD21 LEU A 108 4.264 -5.629 -14.251 1.00 72.02 H new ATOM 0 HD22 LEU A 108 4.922 -7.229 -14.667 1.00 72.02 H new ATOM 0 HD23 LEU A 108 4.022 -7.005 -13.149 1.00 72.02 H new ATOM 1711 N LYS A 109 7.493 -9.244 -10.230 1.00 41.42 N ATOM 1712 CA LYS A 109 8.447 -10.256 -9.788 1.00 72.43 C ATOM 1713 C LYS A 109 7.775 -11.487 -9.191 1.00 35.13 C ATOM 1714 O LYS A 109 8.163 -12.618 -9.479 1.00 42.24 O ATOM 1715 CB LYS A 109 9.391 -9.635 -8.781 1.00 35.43 C ATOM 1716 CG LYS A 109 10.096 -8.437 -9.329 1.00 62.41 C ATOM 1717 CD LYS A 109 11.015 -7.787 -8.314 1.00 21.53 C ATOM 1718 CE LYS A 109 11.586 -6.496 -8.872 1.00 72.41 C ATOM 1719 NZ LYS A 109 12.418 -5.775 -7.890 1.00 23.44 N ATOM 0 H LYS A 109 7.580 -8.354 -9.740 1.00 41.42 H new ATOM 0 HA LYS A 109 8.995 -10.600 -10.665 1.00 72.43 H new ATOM 0 HB2 LYS A 109 8.832 -9.349 -7.890 1.00 35.43 H new ATOM 0 HB3 LYS A 109 10.127 -10.377 -8.471 1.00 35.43 H new ATOM 0 HG2 LYS A 109 10.676 -8.730 -10.204 1.00 62.41 H new ATOM 0 HG3 LYS A 109 9.359 -7.708 -9.665 1.00 62.41 H new ATOM 0 HD2 LYS A 109 10.466 -7.583 -7.395 1.00 21.53 H new ATOM 0 HD3 LYS A 109 11.825 -8.470 -8.057 1.00 21.53 H new ATOM 0 HE2 LYS A 109 12.184 -6.719 -9.756 1.00 72.41 H new ATOM 0 HE3 LYS A 109 10.769 -5.851 -9.195 1.00 72.41 H new ATOM 0 HZ1 LYS A 109 12.784 -4.901 -8.320 1.00 23.44 H new ATOM 0 HZ2 LYS A 109 11.843 -5.537 -7.057 1.00 23.44 H new ATOM 0 HZ3 LYS A 109 13.214 -6.378 -7.600 1.00 23.44 H new ATOM 1733 N ASN A 110 6.780 -11.271 -8.379 1.00 41.30 N ATOM 1734 CA ASN A 110 6.113 -12.404 -7.690 1.00 34.22 C ATOM 1735 C ASN A 110 4.682 -12.660 -8.170 1.00 31.02 C ATOM 1736 O ASN A 110 4.105 -13.714 -7.870 1.00 74.42 O ATOM 1737 CB ASN A 110 6.140 -12.240 -6.168 1.00 74.54 C ATOM 1738 CG ASN A 110 5.436 -10.999 -5.721 1.00 62.44 C ATOM 1739 OD1 ASN A 110 4.259 -11.011 -5.452 1.00 42.21 O ATOM 1740 ND2 ASN A 110 6.158 -9.923 -5.647 1.00 33.44 N ATOM 0 H ASN A 110 6.399 -10.350 -8.163 1.00 41.30 H new ATOM 0 HA ASN A 110 6.698 -13.283 -7.961 1.00 34.22 H new ATOM 0 HB2 ASN A 110 5.673 -13.108 -5.702 1.00 74.54 H new ATOM 0 HB3 ASN A 110 7.174 -12.212 -5.826 1.00 74.54 H new ATOM 0 HD21 ASN A 110 5.734 -9.043 -5.352 1.00 33.44 H new ATOM 0 HD22 ASN A 110 7.150 -9.957 -5.883 1.00 33.44 H new ATOM 1747 N GLY A 111 4.107 -11.722 -8.886 1.00 24.12 N ATOM 1748 CA GLY A 111 2.771 -11.928 -9.399 1.00 32.43 C ATOM 1749 C GLY A 111 1.684 -11.254 -8.573 1.00 42.23 C ATOM 1750 O GLY A 111 0.856 -11.920 -7.955 1.00 75.33 O ATOM 0 H GLY A 111 4.532 -10.826 -9.124 1.00 24.12 H new ATOM 0 HA2 GLY A 111 2.723 -11.553 -10.421 1.00 32.43 H new ATOM 0 HA3 GLY A 111 2.570 -12.998 -9.443 1.00 32.43 H new ATOM 1754 N VAL A 112 1.701 -9.950 -8.544 1.00 52.35 N ATOM 1755 CA VAL A 112 0.679 -9.176 -7.879 1.00 70.51 C ATOM 1756 C VAL A 112 -0.047 -8.353 -8.915 1.00 33.10 C ATOM 1757 O VAL A 112 0.574 -7.636 -9.677 1.00 50.32 O ATOM 1758 CB VAL A 112 1.258 -8.234 -6.782 1.00 75.11 C ATOM 1759 CG1 VAL A 112 0.170 -7.375 -6.166 1.00 4.05 C ATOM 1760 CG2 VAL A 112 1.943 -9.031 -5.704 1.00 31.43 C ATOM 0 H VAL A 112 2.429 -9.386 -8.984 1.00 52.35 H new ATOM 0 HA VAL A 112 0.003 -9.870 -7.379 1.00 70.51 H new ATOM 0 HB VAL A 112 1.987 -7.581 -7.262 1.00 75.11 H new ATOM 0 HG11 VAL A 112 0.605 -6.728 -5.404 1.00 4.05 H new ATOM 0 HG12 VAL A 112 -0.293 -6.763 -6.940 1.00 4.05 H new ATOM 0 HG13 VAL A 112 -0.585 -8.016 -5.710 1.00 4.05 H new ATOM 0 HG21 VAL A 112 2.340 -8.354 -4.948 1.00 31.43 H new ATOM 0 HG22 VAL A 112 1.226 -9.710 -5.242 1.00 31.43 H new ATOM 0 HG23 VAL A 112 2.759 -9.607 -6.140 1.00 31.43 H new ATOM 1770 N THR A 113 -1.338 -8.498 -8.967 1.00 2.34 N ATOM 1771 CA THR A 113 -2.162 -7.761 -9.904 1.00 33.12 C ATOM 1772 C THR A 113 -3.285 -7.088 -9.172 1.00 64.34 C ATOM 1773 O THR A 113 -4.245 -6.643 -9.782 1.00 24.41 O ATOM 1774 CB THR A 113 -2.769 -8.724 -10.947 1.00 63.51 C ATOM 1775 OG1 THR A 113 -3.488 -9.800 -10.269 1.00 71.32 O ATOM 1776 CG2 THR A 113 -1.691 -9.322 -11.837 1.00 14.12 C ATOM 0 H THR A 113 -1.860 -9.132 -8.362 1.00 2.34 H new ATOM 0 HA THR A 113 -1.539 -7.018 -10.403 1.00 33.12 H new ATOM 0 HB THR A 113 -3.456 -8.154 -11.572 1.00 63.51 H new ATOM 0 HG1 THR A 113 -3.890 -9.456 -9.444 1.00 71.32 H new ATOM 0 HG21 THR A 113 -2.149 -9.996 -12.561 1.00 14.12 H new ATOM 0 HG22 THR A 113 -1.170 -8.523 -12.364 1.00 14.12 H new ATOM 0 HG23 THR A 113 -0.980 -9.877 -11.225 1.00 14.12 H new ATOM 1784 N ASP A 114 -3.163 -6.997 -7.868 1.00 42.11 N ATOM 1785 CA ASP A 114 -4.229 -6.454 -7.051 1.00 32.44 C ATOM 1786 C ASP A 114 -3.626 -5.645 -5.919 1.00 34.44 C ATOM 1787 O ASP A 114 -2.824 -6.165 -5.137 1.00 75.44 O ATOM 1788 CB ASP A 114 -5.088 -7.601 -6.481 1.00 15.34 C ATOM 1789 CG ASP A 114 -5.656 -8.524 -7.552 1.00 34.31 C ATOM 1790 OD1 ASP A 114 -4.964 -9.508 -7.943 1.00 73.11 O ATOM 1791 OD2 ASP A 114 -6.760 -8.290 -8.034 1.00 45.22 O ATOM 0 H ASP A 114 -2.337 -7.292 -7.348 1.00 42.11 H new ATOM 0 HA ASP A 114 -4.864 -5.810 -7.659 1.00 32.44 H new ATOM 0 HB2 ASP A 114 -4.484 -8.188 -5.790 1.00 15.34 H new ATOM 0 HB3 ASP A 114 -5.910 -7.177 -5.905 1.00 15.34 H new ATOM 1796 N LEU A 115 -4.000 -4.391 -5.840 1.00 32.21 N ATOM 1797 CA LEU A 115 -3.483 -3.458 -4.841 1.00 72.34 C ATOM 1798 C LEU A 115 -4.575 -2.565 -4.298 1.00 4.51 C ATOM 1799 O LEU A 115 -5.461 -2.144 -5.027 1.00 44.01 O ATOM 1800 CB LEU A 115 -2.354 -2.578 -5.427 1.00 41.44 C ATOM 1801 CG LEU A 115 -0.998 -3.247 -5.654 1.00 51.40 C ATOM 1802 CD1 LEU A 115 -0.055 -2.294 -6.376 1.00 54.12 C ATOM 1803 CD2 LEU A 115 -0.388 -3.625 -4.324 1.00 75.40 C ATOM 0 H LEU A 115 -4.682 -3.974 -6.473 1.00 32.21 H new ATOM 0 HA LEU A 115 -3.082 -4.062 -4.027 1.00 72.34 H new ATOM 0 HB2 LEU A 115 -2.698 -2.177 -6.381 1.00 41.44 H new ATOM 0 HB3 LEU A 115 -2.205 -1.729 -4.759 1.00 41.44 H new ATOM 0 HG LEU A 115 -1.147 -4.139 -6.262 1.00 51.40 H new ATOM 0 HD11 LEU A 115 0.907 -2.782 -6.532 1.00 54.12 H new ATOM 0 HD12 LEU A 115 -0.483 -2.020 -7.340 1.00 54.12 H new ATOM 0 HD13 LEU A 115 0.087 -1.397 -5.774 1.00 54.12 H new ATOM 0 HD21 LEU A 115 0.578 -4.102 -4.489 1.00 75.40 H new ATOM 0 HD22 LEU A 115 -0.252 -2.729 -3.718 1.00 75.40 H new ATOM 0 HD23 LEU A 115 -1.050 -4.317 -3.804 1.00 75.40 H new ATOM 1815 N SER A 116 -4.503 -2.287 -3.031 1.00 74.11 N ATOM 1816 CA SER A 116 -5.393 -1.367 -2.390 1.00 65.12 C ATOM 1817 C SER A 116 -4.571 -0.416 -1.545 1.00 31.23 C ATOM 1818 O SER A 116 -3.617 -0.830 -0.885 1.00 32.55 O ATOM 1819 CB SER A 116 -6.413 -2.091 -1.510 1.00 75.12 C ATOM 1820 OG SER A 116 -7.161 -3.035 -2.253 1.00 3.42 O ATOM 0 H SER A 116 -3.813 -2.700 -2.404 1.00 74.11 H new ATOM 0 HA SER A 116 -5.948 -0.823 -3.154 1.00 65.12 H new ATOM 0 HB2 SER A 116 -5.897 -2.596 -0.693 1.00 75.12 H new ATOM 0 HB3 SER A 116 -7.088 -1.363 -1.060 1.00 75.12 H new ATOM 0 HG SER A 116 -7.835 -3.447 -1.673 1.00 3.42 H new ATOM 1826 N MET A 117 -4.906 0.831 -1.581 1.00 64.44 N ATOM 1827 CA MET A 117 -4.203 1.822 -0.810 1.00 51.33 C ATOM 1828 C MET A 117 -5.190 2.904 -0.431 1.00 44.34 C ATOM 1829 O MET A 117 -6.254 3.005 -1.049 1.00 52.15 O ATOM 1830 CB MET A 117 -2.992 2.396 -1.607 1.00 34.24 C ATOM 1831 CG MET A 117 -3.362 3.180 -2.870 1.00 24.24 C ATOM 1832 SD MET A 117 -1.942 3.632 -3.878 1.00 30.41 S ATOM 1833 CE MET A 117 -1.360 2.020 -4.395 1.00 3.41 C ATOM 0 H MET A 117 -5.673 1.199 -2.143 1.00 64.44 H new ATOM 0 HA MET A 117 -3.790 1.374 0.094 1.00 51.33 H new ATOM 0 HB2 MET A 117 -2.418 3.048 -0.948 1.00 34.24 H new ATOM 0 HB3 MET A 117 -2.337 1.571 -1.888 1.00 34.24 H new ATOM 0 HG2 MET A 117 -4.048 2.583 -3.471 1.00 24.24 H new ATOM 0 HG3 MET A 117 -3.896 4.086 -2.582 1.00 24.24 H new ATOM 0 HE1 MET A 117 -1.165 2.030 -5.467 1.00 3.41 H new ATOM 0 HE2 MET A 117 -0.441 1.776 -3.861 1.00 3.41 H new ATOM 0 HE3 MET A 117 -2.119 1.270 -4.172 1.00 3.41 H new ATOM 1843 N PRO A 118 -4.902 3.690 0.595 1.00 22.33 N ATOM 1844 CA PRO A 118 -5.772 4.757 1.001 1.00 41.30 C ATOM 1845 C PRO A 118 -5.440 6.032 0.242 1.00 32.42 C ATOM 1846 O PRO A 118 -4.741 6.000 -0.783 1.00 22.44 O ATOM 1847 CB PRO A 118 -5.454 4.907 2.488 1.00 23.24 C ATOM 1848 CG PRO A 118 -4.034 4.462 2.633 1.00 22.12 C ATOM 1849 CD PRO A 118 -3.698 3.617 1.436 1.00 74.13 C ATOM 0 HA PRO A 118 -6.826 4.560 0.806 1.00 41.30 H new ATOM 0 HB2 PRO A 118 -5.578 5.939 2.815 1.00 23.24 H new ATOM 0 HB3 PRO A 118 -6.122 4.297 3.097 1.00 23.24 H new ATOM 0 HG2 PRO A 118 -3.367 5.322 2.694 1.00 22.12 H new ATOM 0 HG3 PRO A 118 -3.903 3.892 3.553 1.00 22.12 H new ATOM 0 HD2 PRO A 118 -2.822 3.999 0.912 1.00 74.13 H new ATOM 0 HD3 PRO A 118 -3.474 2.590 1.724 1.00 74.13 H new ATOM 1857 N ARG A 119 -5.926 7.143 0.723 1.00 31.44 N ATOM 1858 CA ARG A 119 -5.652 8.394 0.092 1.00 75.11 C ATOM 1859 C ARG A 119 -4.235 8.860 0.430 1.00 43.54 C ATOM 1860 O ARG A 119 -4.010 9.587 1.402 1.00 43.05 O ATOM 1861 CB ARG A 119 -6.690 9.446 0.468 1.00 62.32 C ATOM 1862 CG ARG A 119 -6.498 10.782 -0.215 1.00 61.54 C ATOM 1863 CD ARG A 119 -7.534 11.770 0.248 1.00 41.33 C ATOM 1864 NE ARG A 119 -7.380 13.077 -0.383 1.00 24.54 N ATOM 1865 CZ ARG A 119 -8.183 14.119 -0.141 1.00 54.10 C ATOM 1866 NH1 ARG A 119 -9.176 14.004 0.765 1.00 33.13 N ATOM 1867 NH2 ARG A 119 -7.990 15.269 -0.787 1.00 20.54 N ATOM 0 H ARG A 119 -6.515 7.202 1.553 1.00 31.44 H new ATOM 0 HA ARG A 119 -5.716 8.254 -0.987 1.00 75.11 H new ATOM 0 HB2 ARG A 119 -7.681 9.065 0.223 1.00 62.32 H new ATOM 0 HB3 ARG A 119 -6.664 9.596 1.547 1.00 62.32 H new ATOM 0 HG2 ARG A 119 -5.501 11.166 -0.000 1.00 61.54 H new ATOM 0 HG3 ARG A 119 -6.565 10.657 -1.296 1.00 61.54 H new ATOM 0 HD2 ARG A 119 -8.528 11.379 0.029 1.00 41.33 H new ATOM 0 HD3 ARG A 119 -7.467 11.882 1.330 1.00 41.33 H new ATOM 0 HE ARG A 119 -6.616 13.203 -1.047 1.00 24.54 H new ATOM 0 HH11 ARG A 119 -9.313 13.124 1.263 1.00 33.13 H new ATOM 0 HH12 ARG A 119 -9.790 14.797 0.952 1.00 33.13 H new ATOM 0 HH21 ARG A 119 -7.232 15.353 -1.464 1.00 20.54 H new ATOM 0 HH22 ARG A 119 -8.601 16.065 -0.604 1.00 20.54 H new ATOM 1980 N LEU A 127 1.342 19.096 -4.270 1.00 22.43 N ATOM 1981 CA LEU A 127 0.746 17.999 -5.009 1.00 34.45 C ATOM 1982 C LEU A 127 -0.684 17.750 -4.611 1.00 3.34 C ATOM 1983 O LEU A 127 -1.067 17.923 -3.445 1.00 64.12 O ATOM 1984 CB LEU A 127 1.544 16.683 -4.942 1.00 72.03 C ATOM 1985 CG LEU A 127 1.740 16.012 -3.596 1.00 74.32 C ATOM 1986 CD1 LEU A 127 2.299 14.635 -3.836 1.00 22.55 C ATOM 1987 CD2 LEU A 127 2.707 16.809 -2.757 1.00 24.43 C ATOM 0 HA LEU A 127 0.773 18.333 -6.046 1.00 34.45 H new ATOM 0 HB2 LEU A 127 1.052 15.966 -5.599 1.00 72.03 H new ATOM 0 HB3 LEU A 127 2.532 16.875 -5.361 1.00 72.03 H new ATOM 0 HG LEU A 127 0.789 15.951 -3.068 1.00 74.32 H new ATOM 0 HD11 LEU A 127 2.449 14.132 -2.881 1.00 22.55 H new ATOM 0 HD12 LEU A 127 1.601 14.060 -4.444 1.00 22.55 H new ATOM 0 HD13 LEU A 127 3.253 14.715 -4.357 1.00 22.55 H new ATOM 0 HD21 LEU A 127 2.841 16.319 -1.793 1.00 24.43 H new ATOM 0 HD22 LEU A 127 3.667 16.871 -3.269 1.00 24.43 H new ATOM 0 HD23 LEU A 127 2.312 17.813 -2.602 1.00 24.43 H new ATOM 1999 N GLN A 128 -1.466 17.321 -5.572 1.00 71.20 N ATOM 2000 CA GLN A 128 -2.882 17.064 -5.364 1.00 54.14 C ATOM 2001 C GLN A 128 -3.186 15.681 -5.867 1.00 53.32 C ATOM 2002 O GLN A 128 -2.435 15.158 -6.703 1.00 22.24 O ATOM 2003 CB GLN A 128 -3.725 18.068 -6.143 1.00 35.33 C ATOM 2004 CG GLN A 128 -3.321 19.497 -5.911 1.00 32.55 C ATOM 2005 CD GLN A 128 -4.224 20.494 -6.595 1.00 4.30 C ATOM 2006 OE1 GLN A 128 -4.794 20.219 -7.644 1.00 5.25 O ATOM 2007 NE2 GLN A 128 -4.370 21.654 -5.998 1.00 61.33 N ATOM 0 H GLN A 128 -1.145 17.138 -6.523 1.00 71.20 H new ATOM 0 HA GLN A 128 -3.117 17.155 -4.303 1.00 54.14 H new ATOM 0 HB2 GLN A 128 -3.650 17.846 -7.207 1.00 35.33 H new ATOM 0 HB3 GLN A 128 -4.772 17.945 -5.865 1.00 35.33 H new ATOM 0 HG2 GLN A 128 -3.318 19.696 -4.839 1.00 32.55 H new ATOM 0 HG3 GLN A 128 -2.300 19.640 -6.265 1.00 32.55 H new ATOM 0 HE21 GLN A 128 -3.878 21.844 -5.125 1.00 61.33 H new ATOM 0 HE22 GLN A 128 -4.976 22.365 -6.407 1.00 61.33 H new ATOM 2016 N TRP A 129 -4.284 15.094 -5.406 1.00 12.23 N ATOM 2017 CA TRP A 129 -4.654 13.738 -5.802 1.00 72.32 C ATOM 2018 C TRP A 129 -4.823 13.615 -7.317 1.00 13.44 C ATOM 2019 O TRP A 129 -4.471 12.588 -7.904 1.00 34.45 O ATOM 2020 CB TRP A 129 -5.922 13.243 -5.079 1.00 10.00 C ATOM 2021 CG TRP A 129 -6.299 11.863 -5.518 1.00 15.21 C ATOM 2022 CD1 TRP A 129 -7.269 11.521 -6.411 1.00 23.54 C ATOM 2023 CD2 TRP A 129 -5.669 10.650 -5.121 1.00 0.13 C ATOM 2024 NE1 TRP A 129 -7.273 10.168 -6.594 1.00 13.13 N ATOM 2025 CE2 TRP A 129 -6.299 9.606 -5.807 1.00 65.32 C ATOM 2026 CE3 TRP A 129 -4.635 10.353 -4.251 1.00 43.21 C ATOM 2027 CZ2 TRP A 129 -5.914 8.273 -5.645 1.00 60.43 C ATOM 2028 CZ3 TRP A 129 -4.260 9.046 -4.091 1.00 10.21 C ATOM 2029 CH2 TRP A 129 -4.894 8.020 -4.783 1.00 53.14 C ATOM 0 H TRP A 129 -4.935 15.535 -4.757 1.00 12.23 H new ATOM 0 HA TRP A 129 -3.827 13.097 -5.497 1.00 72.32 H new ATOM 0 HB2 TRP A 129 -5.755 13.250 -4.002 1.00 10.00 H new ATOM 0 HB3 TRP A 129 -6.747 13.928 -5.278 1.00 10.00 H new ATOM 0 HD1 TRP A 129 -7.935 12.216 -6.901 1.00 23.54 H new ATOM 0 HE1 TRP A 129 -7.899 9.657 -7.216 1.00 13.13 H new ATOM 0 HE3 TRP A 129 -4.132 11.139 -3.707 1.00 43.21 H new ATOM 0 HZ2 TRP A 129 -6.407 7.476 -6.183 1.00 60.43 H new ATOM 0 HZ3 TRP A 129 -3.454 8.807 -3.413 1.00 10.21 H new ATOM 0 HH2 TRP A 129 -4.569 7.001 -4.632 1.00 53.14 H new ATOM 2040 N GLU A 130 -5.338 14.659 -7.936 1.00 14.20 N ATOM 2041 CA GLU A 130 -5.549 14.703 -9.380 1.00 50.12 C ATOM 2042 C GLU A 130 -4.237 14.451 -10.121 1.00 72.43 C ATOM 2043 O GLU A 130 -4.196 13.739 -11.121 1.00 50.13 O ATOM 2044 CB GLU A 130 -6.113 16.066 -9.781 1.00 12.22 C ATOM 2045 CG GLU A 130 -6.406 16.209 -11.266 1.00 42.43 C ATOM 2046 CD GLU A 130 -6.906 17.582 -11.621 1.00 65.03 C ATOM 2047 OE1 GLU A 130 -8.117 17.839 -11.480 1.00 53.34 O ATOM 2048 OE2 GLU A 130 -6.090 18.424 -12.033 1.00 33.51 O ATOM 0 H GLU A 130 -5.626 15.510 -7.453 1.00 14.20 H new ATOM 0 HA GLU A 130 -6.260 13.922 -9.651 1.00 50.12 H new ATOM 0 HB2 GLU A 130 -7.032 16.245 -9.222 1.00 12.22 H new ATOM 0 HB3 GLU A 130 -5.405 16.840 -9.486 1.00 12.22 H new ATOM 0 HG2 GLU A 130 -5.501 15.997 -11.834 1.00 42.43 H new ATOM 0 HG3 GLU A 130 -7.149 15.467 -11.560 1.00 42.43 H new ATOM 2055 N ASN A 131 -3.171 15.027 -9.614 1.00 62.30 N ATOM 2056 CA ASN A 131 -1.872 14.871 -10.237 1.00 10.25 C ATOM 2057 C ASN A 131 -1.267 13.518 -9.888 1.00 53.33 C ATOM 2058 O ASN A 131 -0.589 12.894 -10.713 1.00 31.43 O ATOM 2059 CB ASN A 131 -0.942 15.991 -9.817 1.00 14.40 C ATOM 2060 CG ASN A 131 -1.482 17.369 -10.156 1.00 5.01 C ATOM 2061 OD1 ASN A 131 -2.175 17.973 -9.222 1.00 10.30 O flip ATOM 2062 ND2 ASN A 131 -1.254 17.897 -11.239 1.00 53.03 N flip ATOM 0 H ASN A 131 -3.175 15.606 -8.775 1.00 62.30 H new ATOM 0 HA ASN A 131 -2.004 14.919 -11.318 1.00 10.25 H new ATOM 0 HB2 ASN A 131 -0.769 15.929 -8.743 1.00 14.40 H new ATOM 0 HB3 ASN A 131 0.024 15.856 -10.304 1.00 14.40 H new ATOM 0 HD21 ASN A 131 -0.711 17.399 -11.945 1.00 53.03 H new ATOM 0 HD22 ASN A 131 -1.607 18.834 -11.434 1.00 53.03 H new ATOM 2069 N VAL A 132 -1.531 13.065 -8.664 1.00 42.42 N ATOM 2070 CA VAL A 132 -1.032 11.779 -8.176 1.00 51.14 C ATOM 2071 C VAL A 132 -1.634 10.621 -8.975 1.00 23.30 C ATOM 2072 O VAL A 132 -0.902 9.802 -9.530 1.00 33.52 O ATOM 2073 CB VAL A 132 -1.329 11.582 -6.655 1.00 64.54 C ATOM 2074 CG1 VAL A 132 -0.865 10.212 -6.176 1.00 72.12 C ATOM 2075 CG2 VAL A 132 -0.658 12.672 -5.834 1.00 75.05 C ATOM 0 H VAL A 132 -2.094 13.576 -7.984 1.00 42.42 H new ATOM 0 HA VAL A 132 0.049 11.784 -8.314 1.00 51.14 H new ATOM 0 HB VAL A 132 -2.408 11.647 -6.517 1.00 64.54 H new ATOM 0 HG11 VAL A 132 -1.085 10.104 -5.114 1.00 72.12 H new ATOM 0 HG12 VAL A 132 -1.386 9.435 -6.735 1.00 72.12 H new ATOM 0 HG13 VAL A 132 0.209 10.115 -6.336 1.00 72.12 H new ATOM 0 HG21 VAL A 132 -0.876 12.518 -4.777 1.00 75.05 H new ATOM 0 HG22 VAL A 132 0.420 12.634 -5.991 1.00 75.05 H new ATOM 0 HG23 VAL A 132 -1.036 13.646 -6.144 1.00 75.05 H new ATOM 2085 N SER A 133 -2.960 10.588 -9.048 1.00 72.35 N ATOM 2086 CA SER A 133 -3.695 9.557 -9.751 1.00 31.41 C ATOM 2087 C SER A 133 -3.225 9.405 -11.201 1.00 71.24 C ATOM 2088 O SER A 133 -3.014 8.281 -11.677 1.00 5.44 O ATOM 2089 CB SER A 133 -5.203 9.849 -9.661 1.00 62.44 C ATOM 2090 OG SER A 133 -5.496 11.189 -10.049 1.00 22.11 O ATOM 0 H SER A 133 -3.558 11.290 -8.612 1.00 72.35 H new ATOM 0 HA SER A 133 -3.497 8.599 -9.270 1.00 31.41 H new ATOM 0 HB2 SER A 133 -5.749 9.155 -10.301 1.00 62.44 H new ATOM 0 HB3 SER A 133 -5.548 9.680 -8.641 1.00 62.44 H new ATOM 0 HG SER A 133 -5.281 11.798 -9.312 1.00 22.11 H new ATOM 2096 N ALA A 134 -3.019 10.533 -11.871 1.00 14.31 N ATOM 2097 CA ALA A 134 -2.544 10.542 -13.240 1.00 21.52 C ATOM 2098 C ALA A 134 -1.221 9.797 -13.362 1.00 54.03 C ATOM 2099 O ALA A 134 -1.092 8.889 -14.179 1.00 34.41 O ATOM 2100 CB ALA A 134 -2.381 11.969 -13.727 1.00 21.13 C ATOM 0 H ALA A 134 -3.177 11.461 -11.478 1.00 14.31 H new ATOM 0 HA ALA A 134 -3.283 10.034 -13.860 1.00 21.52 H new ATOM 0 HB1 ALA A 134 -2.024 11.963 -14.757 1.00 21.13 H new ATOM 0 HB2 ALA A 134 -3.342 12.482 -13.679 1.00 21.13 H new ATOM 0 HB3 ALA A 134 -1.660 12.489 -13.096 1.00 21.13 H new ATOM 2106 N MET A 135 -0.270 10.153 -12.508 1.00 53.40 N ATOM 2107 CA MET A 135 1.065 9.556 -12.516 1.00 13.03 C ATOM 2108 C MET A 135 1.019 8.065 -12.182 1.00 43.33 C ATOM 2109 O MET A 135 1.788 7.272 -12.735 1.00 72.21 O ATOM 2110 CB MET A 135 1.999 10.309 -11.562 1.00 75.30 C ATOM 2111 CG MET A 135 3.423 9.773 -11.525 1.00 33.11 C ATOM 2112 SD MET A 135 4.530 10.788 -10.517 1.00 32.25 S ATOM 2113 CE MET A 135 3.736 10.687 -8.915 1.00 32.32 C ATOM 0 H MET A 135 -0.400 10.864 -11.788 1.00 53.40 H new ATOM 0 HA MET A 135 1.463 9.647 -13.527 1.00 13.03 H new ATOM 0 HB2 MET A 135 2.026 11.359 -11.853 1.00 75.30 H new ATOM 0 HB3 MET A 135 1.582 10.268 -10.556 1.00 75.30 H new ATOM 0 HG2 MET A 135 3.413 8.756 -11.133 1.00 33.11 H new ATOM 0 HG3 MET A 135 3.812 9.719 -12.542 1.00 33.11 H new ATOM 0 HE1 MET A 135 4.407 11.080 -8.151 1.00 32.32 H new ATOM 0 HE2 MET A 135 2.817 11.273 -8.927 1.00 32.32 H new ATOM 0 HE3 MET A 135 3.500 9.647 -8.691 1.00 32.32 H new ATOM 2123 N ILE A 136 0.111 7.687 -11.297 1.00 34.11 N ATOM 2124 CA ILE A 136 -0.080 6.282 -10.941 1.00 22.21 C ATOM 2125 C ILE A 136 -0.470 5.482 -12.184 1.00 24.45 C ATOM 2126 O ILE A 136 0.116 4.434 -12.474 1.00 32.41 O ATOM 2127 CB ILE A 136 -1.168 6.106 -9.841 1.00 55.13 C ATOM 2128 CG1 ILE A 136 -0.744 6.818 -8.548 1.00 31.31 C ATOM 2129 CG2 ILE A 136 -1.452 4.626 -9.576 1.00 15.34 C ATOM 2130 CD1 ILE A 136 -1.764 6.729 -7.427 1.00 74.13 C ATOM 0 H ILE A 136 -0.509 8.332 -10.808 1.00 34.11 H new ATOM 0 HA ILE A 136 0.863 5.910 -10.540 1.00 22.21 H new ATOM 0 HB ILE A 136 -2.090 6.562 -10.202 1.00 55.13 H new ATOM 0 HG12 ILE A 136 0.197 6.391 -8.203 1.00 31.31 H new ATOM 0 HG13 ILE A 136 -0.555 7.868 -8.770 1.00 31.31 H new ATOM 0 HG21 ILE A 136 -2.216 4.535 -8.803 1.00 15.34 H new ATOM 0 HG22 ILE A 136 -1.805 4.153 -10.493 1.00 15.34 H new ATOM 0 HG23 ILE A 136 -0.538 4.134 -9.243 1.00 15.34 H new ATOM 0 HD11 ILE A 136 -1.388 7.257 -6.550 1.00 74.13 H new ATOM 0 HD12 ILE A 136 -2.701 7.183 -7.750 1.00 74.13 H new ATOM 0 HD13 ILE A 136 -1.937 5.683 -7.174 1.00 74.13 H new ATOM 2142 N GLU A 137 -1.428 6.005 -12.931 1.00 32.11 N ATOM 2143 CA GLU A 137 -1.887 5.357 -14.147 1.00 30.15 C ATOM 2144 C GLU A 137 -0.800 5.362 -15.214 1.00 52.43 C ATOM 2145 O GLU A 137 -0.738 4.465 -16.037 1.00 35.24 O ATOM 2146 CB GLU A 137 -3.152 6.013 -14.674 1.00 44.12 C ATOM 2147 CG GLU A 137 -4.306 5.965 -13.700 1.00 14.41 C ATOM 2148 CD GLU A 137 -5.549 6.586 -14.261 1.00 53.55 C ATOM 2149 OE1 GLU A 137 -5.699 7.812 -14.176 1.00 22.52 O ATOM 2150 OE2 GLU A 137 -6.402 5.856 -14.791 1.00 61.35 O ATOM 0 H GLU A 137 -1.904 6.881 -12.715 1.00 32.11 H new ATOM 0 HA GLU A 137 -2.119 4.321 -13.900 1.00 30.15 H new ATOM 0 HB2 GLU A 137 -2.937 7.053 -14.920 1.00 44.12 H new ATOM 0 HB3 GLU A 137 -3.448 5.521 -15.601 1.00 44.12 H new ATOM 0 HG2 GLU A 137 -4.509 4.928 -13.432 1.00 14.41 H new ATOM 0 HG3 GLU A 137 -4.026 6.483 -12.782 1.00 14.41 H new ATOM 2157 N GLU A 138 0.044 6.384 -15.192 1.00 53.34 N ATOM 2158 CA GLU A 138 1.165 6.488 -16.120 1.00 21.20 C ATOM 2159 C GLU A 138 2.123 5.329 -15.958 1.00 42.53 C ATOM 2160 O GLU A 138 2.472 4.655 -16.925 1.00 3.25 O ATOM 2161 CB GLU A 138 1.925 7.783 -15.903 1.00 51.33 C ATOM 2162 CG GLU A 138 1.131 9.015 -16.212 1.00 51.54 C ATOM 2163 CD GLU A 138 0.642 9.035 -17.630 1.00 31.42 C ATOM 2164 OE1 GLU A 138 1.422 9.408 -18.522 1.00 72.11 O ATOM 2165 OE2 GLU A 138 -0.535 8.694 -17.877 1.00 41.52 O ATOM 0 H GLU A 138 -0.027 7.161 -14.535 1.00 53.34 H new ATOM 0 HA GLU A 138 0.749 6.470 -17.127 1.00 21.20 H new ATOM 0 HB2 GLU A 138 2.257 7.828 -14.866 1.00 51.33 H new ATOM 0 HB3 GLU A 138 2.821 7.775 -16.524 1.00 51.33 H new ATOM 0 HG2 GLU A 138 0.279 9.075 -15.535 1.00 51.54 H new ATOM 0 HG3 GLU A 138 1.746 9.896 -16.029 1.00 51.54 H new ATOM 2172 N VAL A 139 2.535 5.091 -14.733 1.00 65.45 N ATOM 2173 CA VAL A 139 3.481 4.033 -14.445 1.00 24.34 C ATOM 2174 C VAL A 139 2.825 2.659 -14.612 1.00 61.02 C ATOM 2175 O VAL A 139 3.383 1.757 -15.262 1.00 74.23 O ATOM 2176 CB VAL A 139 4.070 4.167 -13.011 1.00 12.20 C ATOM 2177 CG1 VAL A 139 5.078 3.061 -12.735 1.00 3.24 C ATOM 2178 CG2 VAL A 139 4.717 5.533 -12.817 1.00 72.43 C ATOM 0 H VAL A 139 2.229 5.618 -13.915 1.00 65.45 H new ATOM 0 HA VAL A 139 4.299 4.127 -15.159 1.00 24.34 H new ATOM 0 HB VAL A 139 3.249 4.070 -12.301 1.00 12.20 H new ATOM 0 HG11 VAL A 139 5.476 3.175 -11.727 1.00 3.24 H new ATOM 0 HG12 VAL A 139 4.588 2.091 -12.824 1.00 3.24 H new ATOM 0 HG13 VAL A 139 5.893 3.123 -13.456 1.00 3.24 H new ATOM 0 HG21 VAL A 139 5.122 5.604 -11.807 1.00 72.43 H new ATOM 0 HG22 VAL A 139 5.522 5.660 -13.541 1.00 72.43 H new ATOM 0 HG23 VAL A 139 3.970 6.313 -12.964 1.00 72.43 H new ATOM 2188 N PHE A 140 1.632 2.518 -14.070 1.00 13.21 N ATOM 2189 CA PHE A 140 0.925 1.254 -14.095 1.00 52.12 C ATOM 2190 C PHE A 140 0.355 0.832 -15.433 1.00 71.14 C ATOM 2191 O PHE A 140 0.030 -0.332 -15.588 1.00 12.41 O ATOM 2192 CB PHE A 140 -0.130 1.134 -13.011 1.00 51.21 C ATOM 2193 CG PHE A 140 0.392 0.694 -11.678 1.00 64.31 C ATOM 2194 CD1 PHE A 140 0.541 -0.658 -11.418 1.00 42.42 C ATOM 2195 CD2 PHE A 140 0.702 1.598 -10.681 1.00 22.45 C ATOM 2196 CE1 PHE A 140 0.985 -1.099 -10.205 1.00 12.44 C ATOM 2197 CE2 PHE A 140 1.144 1.148 -9.450 1.00 73.02 C ATOM 2198 CZ PHE A 140 1.280 -0.213 -9.224 1.00 1.45 C ATOM 0 H PHE A 140 1.128 3.272 -13.603 1.00 13.21 H new ATOM 0 HA PHE A 140 1.727 0.546 -13.886 1.00 52.12 H new ATOM 0 HB2 PHE A 140 -0.622 2.099 -12.893 1.00 51.21 H new ATOM 0 HB3 PHE A 140 -0.891 0.426 -13.340 1.00 51.21 H new ATOM 0 HD1 PHE A 140 0.302 -1.376 -12.188 1.00 42.42 H new ATOM 0 HD2 PHE A 140 0.599 2.658 -10.863 1.00 22.45 H new ATOM 0 HE1 PHE A 140 1.101 -2.158 -10.027 1.00 12.44 H new ATOM 0 HE2 PHE A 140 1.382 1.854 -8.668 1.00 73.02 H new ATOM 0 HZ PHE A 140 1.622 -0.568 -8.263 1.00 1.45 H new ATOM 2208 N GLU A 141 0.225 1.732 -16.394 1.00 24.32 N ATOM 2209 CA GLU A 141 -0.333 1.365 -17.687 1.00 72.41 C ATOM 2210 C GLU A 141 0.538 0.303 -18.402 1.00 13.42 C ATOM 2211 O GLU A 141 0.051 -0.498 -19.211 1.00 44.23 O ATOM 2212 CB GLU A 141 -0.545 2.605 -18.553 1.00 4.41 C ATOM 2213 CG GLU A 141 -1.174 2.292 -19.873 1.00 74.42 C ATOM 2214 CD GLU A 141 -1.535 3.512 -20.670 1.00 42.31 C ATOM 2215 OE1 GLU A 141 -2.624 4.072 -20.453 1.00 31.33 O ATOM 2216 OE2 GLU A 141 -0.753 3.923 -21.546 1.00 21.24 O ATOM 0 H GLU A 141 0.495 2.712 -16.306 1.00 24.32 H new ATOM 0 HA GLU A 141 -1.308 0.908 -17.518 1.00 72.41 H new ATOM 0 HB2 GLU A 141 -1.174 3.314 -18.015 1.00 4.41 H new ATOM 0 HB3 GLU A 141 0.415 3.094 -18.720 1.00 4.41 H new ATOM 0 HG2 GLU A 141 -0.489 1.677 -20.456 1.00 74.42 H new ATOM 0 HG3 GLU A 141 -2.073 1.698 -19.706 1.00 74.42 H new ATOM 2223 N ALA A 142 1.804 0.278 -18.056 1.00 71.24 N ATOM 2224 CA ALA A 142 2.742 -0.688 -18.608 1.00 50.42 C ATOM 2225 C ALA A 142 2.738 -2.002 -17.794 1.00 73.42 C ATOM 2226 O ALA A 142 3.556 -2.883 -18.019 1.00 21.44 O ATOM 2227 CB ALA A 142 4.141 -0.086 -18.646 1.00 21.22 C ATOM 0 H ALA A 142 2.219 0.924 -17.384 1.00 71.24 H new ATOM 0 HA ALA A 142 2.429 -0.929 -19.624 1.00 50.42 H new ATOM 0 HB1 ALA A 142 4.839 -0.814 -19.060 1.00 21.22 H new ATOM 0 HB2 ALA A 142 4.136 0.808 -19.270 1.00 21.22 H new ATOM 0 HB3 ALA A 142 4.451 0.179 -17.635 1.00 21.22 H new ATOM 2233 N THR A 143 1.811 -2.115 -16.864 1.00 3.41 N ATOM 2234 CA THR A 143 1.667 -3.300 -16.013 1.00 64.32 C ATOM 2235 C THR A 143 0.183 -3.621 -15.881 1.00 1.33 C ATOM 2236 O THR A 143 -0.647 -2.919 -16.466 1.00 21.55 O ATOM 2237 CB THR A 143 2.252 -3.044 -14.599 1.00 35.03 C ATOM 2238 OG1 THR A 143 1.634 -1.891 -14.023 1.00 70.12 O ATOM 2239 CG2 THR A 143 3.748 -2.831 -14.636 1.00 61.15 C ATOM 0 H THR A 143 1.126 -1.385 -16.669 1.00 3.41 H new ATOM 0 HA THR A 143 2.209 -4.129 -16.467 1.00 64.32 H new ATOM 0 HB THR A 143 2.048 -3.929 -13.996 1.00 35.03 H new ATOM 0 HG1 THR A 143 0.985 -1.518 -14.655 1.00 70.12 H new ATOM 0 HG21 THR A 143 4.116 -2.655 -13.625 1.00 61.15 H new ATOM 0 HG22 THR A 143 4.231 -3.716 -15.049 1.00 61.15 H new ATOM 0 HG23 THR A 143 3.977 -1.968 -15.261 1.00 61.15 H new ATOM 2247 N ASP A 144 -0.179 -4.635 -15.127 1.00 12.13 N ATOM 2248 CA ASP A 144 -1.585 -4.914 -14.960 1.00 53.32 C ATOM 2249 C ASP A 144 -1.947 -5.221 -13.522 1.00 14.14 C ATOM 2250 O ASP A 144 -2.102 -6.369 -13.131 1.00 72.23 O ATOM 2251 CB ASP A 144 -2.081 -5.999 -15.909 1.00 63.31 C ATOM 2252 CG ASP A 144 -3.585 -6.135 -15.890 1.00 45.23 C ATOM 2253 OD1 ASP A 144 -4.261 -5.273 -16.476 1.00 64.21 O ATOM 2254 OD2 ASP A 144 -4.112 -7.105 -15.306 1.00 1.31 O ATOM 0 H ASP A 144 0.458 -5.261 -14.635 1.00 12.13 H new ATOM 0 HA ASP A 144 -2.107 -3.996 -15.229 1.00 53.32 H new ATOM 0 HB2 ASP A 144 -1.752 -5.770 -16.923 1.00 63.31 H new ATOM 0 HB3 ASP A 144 -1.629 -6.952 -15.635 1.00 63.31 H new ATOM 2259 N ILE A 145 -1.974 -4.188 -12.710 1.00 4.13 N ATOM 2260 CA ILE A 145 -2.410 -4.313 -11.354 1.00 43.15 C ATOM 2261 C ILE A 145 -3.699 -3.502 -11.176 1.00 33.42 C ATOM 2262 O ILE A 145 -3.794 -2.365 -11.657 1.00 21.25 O ATOM 2263 CB ILE A 145 -1.333 -3.853 -10.285 1.00 72.15 C ATOM 2264 CG1 ILE A 145 -0.032 -4.668 -10.316 1.00 50.53 C ATOM 2265 CG2 ILE A 145 -1.888 -3.899 -8.909 1.00 65.43 C ATOM 2266 CD1 ILE A 145 0.834 -4.459 -11.510 1.00 13.31 C ATOM 0 H ILE A 145 -1.694 -3.245 -12.978 1.00 4.13 H new ATOM 0 HA ILE A 145 -2.578 -5.374 -11.169 1.00 43.15 H new ATOM 0 HB ILE A 145 -1.086 -2.829 -10.565 1.00 72.15 H new ATOM 0 HG12 ILE A 145 0.547 -4.428 -9.424 1.00 50.53 H new ATOM 0 HG13 ILE A 145 -0.286 -5.726 -10.256 1.00 50.53 H new ATOM 0 HG21 ILE A 145 -1.126 -3.578 -8.198 1.00 65.43 H new ATOM 0 HG22 ILE A 145 -2.750 -3.235 -8.842 1.00 65.43 H new ATOM 0 HG23 ILE A 145 -2.196 -4.918 -8.675 1.00 65.43 H new ATOM 0 HD11 ILE A 145 1.724 -5.083 -11.428 1.00 13.31 H new ATOM 0 HD12 ILE A 145 0.283 -4.730 -12.411 1.00 13.31 H new ATOM 0 HD13 ILE A 145 1.129 -3.411 -11.566 1.00 13.31 H new ATOM 2278 N LYS A 146 -4.680 -4.106 -10.537 1.00 34.11 N ATOM 2279 CA LYS A 146 -5.950 -3.468 -10.242 1.00 70.24 C ATOM 2280 C LYS A 146 -5.755 -2.687 -8.958 1.00 23.21 C ATOM 2281 O LYS A 146 -5.463 -3.280 -7.913 1.00 23.43 O ATOM 2282 CB LYS A 146 -7.020 -4.542 -9.998 1.00 63.11 C ATOM 2283 CG LYS A 146 -7.098 -5.622 -11.069 1.00 72.53 C ATOM 2284 CD LYS A 146 -7.541 -5.110 -12.425 1.00 1.43 C ATOM 2285 CE LYS A 146 -7.437 -6.222 -13.471 1.00 13.01 C ATOM 2286 NZ LYS A 146 -8.210 -7.442 -13.098 1.00 14.24 N ATOM 0 H LYS A 146 -4.618 -5.068 -10.203 1.00 34.11 H new ATOM 0 HA LYS A 146 -6.265 -2.828 -11.066 1.00 70.24 H new ATOM 0 HB2 LYS A 146 -6.825 -5.017 -9.037 1.00 63.11 H new ATOM 0 HB3 LYS A 146 -7.992 -4.055 -9.922 1.00 63.11 H new ATOM 0 HG2 LYS A 146 -6.119 -6.091 -11.170 1.00 72.53 H new ATOM 0 HG3 LYS A 146 -7.790 -6.397 -10.740 1.00 72.53 H new ATOM 0 HD2 LYS A 146 -8.568 -4.750 -12.368 1.00 1.43 H new ATOM 0 HD3 LYS A 146 -6.922 -4.263 -12.722 1.00 1.43 H new ATOM 0 HE2 LYS A 146 -7.798 -5.848 -14.429 1.00 13.01 H new ATOM 0 HE3 LYS A 146 -6.389 -6.489 -13.607 1.00 13.01 H new ATOM 0 HZ1 LYS A 146 -8.259 -8.085 -13.914 1.00 14.24 H new ATOM 0 HZ2 LYS A 146 -7.738 -7.923 -12.306 1.00 14.24 H new ATOM 0 HZ3 LYS A 146 -9.172 -7.170 -12.813 1.00 14.24 H new ATOM 2300 N ILE A 147 -5.883 -1.396 -9.013 1.00 62.22 N ATOM 2301 CA ILE A 147 -5.625 -0.584 -7.849 1.00 23.31 C ATOM 2302 C ILE A 147 -6.915 -0.035 -7.291 1.00 44.31 C ATOM 2303 O ILE A 147 -7.660 0.688 -7.968 1.00 44.24 O ATOM 2304 CB ILE A 147 -4.663 0.569 -8.183 1.00 50.22 C ATOM 2305 CG1 ILE A 147 -3.384 0.000 -8.797 1.00 25.15 C ATOM 2306 CG2 ILE A 147 -4.339 1.388 -6.921 1.00 61.42 C ATOM 2307 CD1 ILE A 147 -2.463 1.038 -9.348 1.00 44.33 C ATOM 0 H ILE A 147 -6.163 -0.878 -9.846 1.00 62.22 H new ATOM 0 HA ILE A 147 -5.155 -1.217 -7.096 1.00 23.31 H new ATOM 0 HB ILE A 147 -5.140 1.236 -8.901 1.00 50.22 H new ATOM 0 HG12 ILE A 147 -2.854 -0.576 -8.039 1.00 25.15 H new ATOM 0 HG13 ILE A 147 -3.653 -0.693 -9.594 1.00 25.15 H new ATOM 0 HG21 ILE A 147 -3.657 2.199 -7.178 1.00 61.42 H new ATOM 0 HG22 ILE A 147 -5.259 1.804 -6.511 1.00 61.42 H new ATOM 0 HG23 ILE A 147 -3.871 0.742 -6.178 1.00 61.42 H new ATOM 0 HD11 ILE A 147 -1.579 0.556 -9.766 1.00 44.33 H new ATOM 0 HD12 ILE A 147 -2.974 1.599 -10.130 1.00 44.33 H new ATOM 0 HD13 ILE A 147 -2.163 1.718 -8.551 1.00 44.33 H new ATOM 2319 N THR A 148 -7.180 -0.382 -6.082 1.00 35.41 N ATOM 2320 CA THR A 148 -8.333 0.065 -5.408 1.00 11.04 C ATOM 2321 C THR A 148 -7.924 1.073 -4.328 1.00 41.54 C ATOM 2322 O THR A 148 -7.170 0.753 -3.411 1.00 4.51 O ATOM 2323 CB THR A 148 -9.067 -1.131 -4.783 1.00 4.52 C ATOM 2324 OG1 THR A 148 -9.306 -2.120 -5.807 1.00 2.31 O ATOM 2325 CG2 THR A 148 -10.396 -0.695 -4.212 1.00 62.15 C ATOM 0 H THR A 148 -6.585 -0.998 -5.527 1.00 35.41 H new ATOM 0 HA THR A 148 -9.008 0.552 -6.111 1.00 11.04 H new ATOM 0 HB THR A 148 -8.452 -1.545 -3.983 1.00 4.52 H new ATOM 0 HG1 THR A 148 -9.773 -2.888 -5.417 1.00 2.31 H new ATOM 0 HG21 THR A 148 -10.903 -1.554 -3.773 1.00 62.15 H new ATOM 0 HG22 THR A 148 -10.232 0.061 -3.444 1.00 62.15 H new ATOM 0 HG23 THR A 148 -11.014 -0.276 -5.007 1.00 62.15 H new ATOM 2333 N VAL A 149 -8.390 2.275 -4.460 1.00 74.31 N ATOM 2334 CA VAL A 149 -8.070 3.318 -3.537 1.00 42.41 C ATOM 2335 C VAL A 149 -9.261 3.615 -2.669 1.00 1.23 C ATOM 2336 O VAL A 149 -10.367 3.868 -3.166 1.00 22.10 O ATOM 2337 CB VAL A 149 -7.618 4.618 -4.259 1.00 63.11 C ATOM 2338 CG1 VAL A 149 -7.329 5.733 -3.259 1.00 42.03 C ATOM 2339 CG2 VAL A 149 -6.392 4.348 -5.104 1.00 35.11 C ATOM 0 H VAL A 149 -9.009 2.563 -5.218 1.00 74.31 H new ATOM 0 HA VAL A 149 -7.238 2.969 -2.925 1.00 42.41 H new ATOM 0 HB VAL A 149 -8.433 4.944 -4.905 1.00 63.11 H new ATOM 0 HG11 VAL A 149 -7.015 6.629 -3.794 1.00 42.03 H new ATOM 0 HG12 VAL A 149 -8.230 5.950 -2.685 1.00 42.03 H new ATOM 0 HG13 VAL A 149 -6.535 5.418 -2.582 1.00 42.03 H new ATOM 0 HG21 VAL A 149 -6.086 5.267 -5.604 1.00 35.11 H new ATOM 0 HG22 VAL A 149 -5.582 3.994 -4.467 1.00 35.11 H new ATOM 0 HG23 VAL A 149 -6.625 3.588 -5.850 1.00 35.11 H new ATOM 2349 N TYR A 150 -9.047 3.569 -1.398 1.00 64.43 N ATOM 2350 CA TYR A 150 -10.065 3.892 -0.463 1.00 25.10 C ATOM 2351 C TYR A 150 -9.974 5.351 -0.112 1.00 40.20 C ATOM 2352 O TYR A 150 -8.875 5.890 0.118 1.00 23.23 O ATOM 2353 CB TYR A 150 -10.034 2.966 0.753 1.00 33.51 C ATOM 2354 CG TYR A 150 -10.532 1.559 0.434 1.00 10.10 C ATOM 2355 CD1 TYR A 150 -9.787 0.676 -0.351 1.00 30.11 C ATOM 2356 CD2 TYR A 150 -11.763 1.126 0.903 1.00 21.24 C ATOM 2357 CE1 TYR A 150 -10.262 -0.588 -0.648 1.00 13.11 C ATOM 2358 CE2 TYR A 150 -12.239 -0.132 0.608 1.00 22.13 C ATOM 2359 CZ TYR A 150 -11.486 -0.985 -0.165 1.00 61.23 C ATOM 2360 OH TYR A 150 -11.967 -2.243 -0.468 1.00 60.11 O ATOM 0 H TYR A 150 -8.156 3.305 -0.978 1.00 64.43 H new ATOM 0 HA TYR A 150 -11.042 3.724 -0.916 1.00 25.10 H new ATOM 0 HB2 TYR A 150 -9.015 2.908 1.135 1.00 33.51 H new ATOM 0 HB3 TYR A 150 -10.648 3.393 1.546 1.00 33.51 H new ATOM 0 HD1 TYR A 150 -8.825 0.985 -0.732 1.00 30.11 H new ATOM 0 HD2 TYR A 150 -12.360 1.789 1.512 1.00 21.24 H new ATOM 0 HE1 TYR A 150 -9.674 -1.260 -1.256 1.00 13.11 H new ATOM 0 HE2 TYR A 150 -13.201 -0.448 0.983 1.00 22.13 H new ATOM 0 HH TYR A 150 -12.844 -2.368 -0.049 1.00 60.11 H new ATOM 2370 N THR A 151 -11.101 5.985 -0.069 1.00 72.43 N ATOM 2371 CA THR A 151 -11.162 7.402 0.030 1.00 42.25 C ATOM 2372 C THR A 151 -11.208 7.898 1.462 1.00 35.21 C ATOM 2373 O THR A 151 -11.952 7.381 2.304 1.00 21.24 O ATOM 2374 CB THR A 151 -12.384 7.926 -0.747 1.00 45.10 C ATOM 2375 OG1 THR A 151 -13.576 7.258 -0.284 1.00 14.03 O ATOM 2376 CG2 THR A 151 -12.216 7.692 -2.243 1.00 51.51 C ATOM 0 H THR A 151 -12.012 5.527 -0.102 1.00 72.43 H new ATOM 0 HA THR A 151 -10.242 7.790 -0.406 1.00 42.25 H new ATOM 0 HB THR A 151 -12.471 8.998 -0.572 1.00 45.10 H new ATOM 0 HG1 THR A 151 -14.352 7.594 -0.779 1.00 14.03 H new ATOM 0 HG21 THR A 151 -13.091 8.070 -2.771 1.00 51.51 H new ATOM 0 HG22 THR A 151 -11.326 8.214 -2.595 1.00 51.51 H new ATOM 0 HG23 THR A 151 -12.110 6.624 -2.435 1.00 51.51 H new