USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 91 ASN : amide:sc= 0.0268 K(o=0.027,f=-6!) USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 79 ASN : amide:sc= -0.0498 K(o=-0.05,f=-0.73) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 19 THR OG1 : rot -91:sc= 0.0689 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.707 USER MOD Single : A 34 MET CE :methyl -176:sc= -0.103 (180deg=-0.146) USER MOD Single : A 35 CYS SG : rot 73:sc= 0.177 USER MOD Single : A 36 SER OG : rot -46:sc= 0.0927 USER MOD Single : A 37 THR OG1 : rot 103:sc= 1.24 USER MOD Single : A 38 TYR OH : rot -171:sc= 1.29 USER MOD Single : A 40 SER OG : rot 3:sc= 1.11 USER MOD Single : A 49 TYR OH : rot 168:sc= 1.2 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0228) USER MOD Single : A 63 CYS SG : rot 180:sc= -5.12! USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.371 K(o=0.37,f=-5.3!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 82 MET CE :methyl 175:sc= -0.565 (180deg=-0.711) USER MOD Single : A 83 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.0013) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0028 USER MOD Single : A 88 ASN : amide:sc= 1.05 K(o=1.1,f=-0.066) USER MOD Single : A 89 GLN : amide:sc= 0.904 K(o=0.9,f=-5.1!) USER MOD Single : A 98 ASN : amide:sc= -0.136 X(o=-0.14,f=-0.038) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0101 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.363 4.445 9.260 1.00 33.04 N ATOM 116 CA ILE A 10 -6.089 3.997 8.715 1.00 62.51 C ATOM 117 C ILE A 10 -5.454 5.116 7.877 1.00 31.11 C ATOM 118 O ILE A 10 -6.075 5.582 6.922 1.00 61.43 O ATOM 119 CB ILE A 10 -6.341 2.718 7.880 1.00 54.14 C ATOM 120 CG1 ILE A 10 -6.807 1.558 8.784 1.00 25.25 C ATOM 121 CG2 ILE A 10 -5.073 2.280 7.133 1.00 73.14 C ATOM 122 CD1 ILE A 10 -7.502 0.428 8.022 1.00 45.11 C ATOM 0 HA ILE A 10 -5.387 3.761 9.515 1.00 62.51 H new ATOM 0 HB ILE A 10 -7.119 2.957 7.156 1.00 54.14 H new ATOM 0 HG12 ILE A 10 -5.945 1.152 9.313 1.00 25.25 H new ATOM 0 HG13 ILE A 10 -7.489 1.949 9.539 1.00 25.25 H new ATOM 0 HG21 ILE A 10 -5.283 1.379 6.556 1.00 73.14 H new ATOM 0 HG22 ILE A 10 -4.754 3.076 6.460 1.00 73.14 H new ATOM 0 HG23 ILE A 10 -4.280 2.074 7.852 1.00 73.14 H new ATOM 0 HD11 ILE A 10 -7.802 -0.352 8.722 1.00 45.11 H new ATOM 0 HD12 ILE A 10 -8.384 0.820 7.515 1.00 45.11 H new ATOM 0 HD13 ILE A 10 -6.816 0.010 7.285 1.00 45.11 H new ATOM 134 N LYS A 11 -4.201 5.486 8.176 1.00 43.44 N ATOM 135 CA LYS A 11 -3.374 6.410 7.391 1.00 12.44 C ATOM 136 C LYS A 11 -2.076 5.787 6.870 1.00 3.15 C ATOM 137 O LYS A 11 -1.153 6.502 6.483 1.00 13.13 O ATOM 138 CB LYS A 11 -3.038 7.685 8.175 1.00 52.14 C ATOM 139 CG LYS A 11 -4.222 8.359 8.868 1.00 45.13 C ATOM 140 CD LYS A 11 -4.275 8.050 10.365 1.00 3.41 C ATOM 141 CE LYS A 11 -5.523 8.716 10.959 1.00 64.41 C ATOM 142 NZ LYS A 11 -5.223 10.040 11.538 1.00 32.22 N ATOM 0 H LYS A 11 -3.718 5.136 9.003 1.00 43.44 H new ATOM 0 HA LYS A 11 -3.990 6.661 6.527 1.00 12.44 H new ATOM 0 HB2 LYS A 11 -2.289 7.441 8.928 1.00 52.14 H new ATOM 0 HB3 LYS A 11 -2.582 8.402 7.492 1.00 52.14 H new ATOM 0 HG2 LYS A 11 -4.157 9.438 8.725 1.00 45.13 H new ATOM 0 HG3 LYS A 11 -5.149 8.030 8.399 1.00 45.13 H new ATOM 0 HD2 LYS A 11 -4.307 6.973 10.528 1.00 3.41 H new ATOM 0 HD3 LYS A 11 -3.377 8.420 10.860 1.00 3.41 H new ATOM 0 HE2 LYS A 11 -6.280 8.823 10.183 1.00 64.41 H new ATOM 0 HE3 LYS A 11 -5.946 8.071 11.729 1.00 64.41 H new ATOM 0 HZ1 LYS A 11 -6.094 10.454 11.928 1.00 32.22 H new ATOM 0 HZ2 LYS A 11 -4.519 9.936 12.297 1.00 32.22 H new ATOM 0 HZ3 LYS A 11 -4.844 10.665 10.798 1.00 32.22 H new ATOM 156 N GLU A 12 -1.974 4.470 6.814 1.00 62.05 N ATOM 157 CA GLU A 12 -0.864 3.788 6.157 1.00 2.45 C ATOM 158 C GLU A 12 -1.389 2.441 5.673 1.00 2.30 C ATOM 159 O GLU A 12 -2.248 1.847 6.317 1.00 15.53 O ATOM 160 CB GLU A 12 0.319 3.665 7.147 1.00 72.43 C ATOM 161 CG GLU A 12 1.571 2.975 6.583 1.00 61.43 C ATOM 162 CD GLU A 12 2.702 2.935 7.617 1.00 14.30 C ATOM 163 OE1 GLU A 12 2.681 2.079 8.535 1.00 2.21 O ATOM 164 OE2 GLU A 12 3.664 3.736 7.543 1.00 15.01 O ATOM 0 H GLU A 12 -2.661 3.837 7.224 1.00 62.05 H new ATOM 0 HA GLU A 12 -0.485 4.340 5.297 1.00 2.45 H new ATOM 0 HB2 GLU A 12 0.595 4.664 7.486 1.00 72.43 H new ATOM 0 HB3 GLU A 12 -0.017 3.113 8.024 1.00 72.43 H new ATOM 0 HG2 GLU A 12 1.321 1.960 6.276 1.00 61.43 H new ATOM 0 HG3 GLU A 12 1.909 3.504 5.692 1.00 61.43 H new ATOM 171 N ILE A 13 -0.884 1.943 4.551 1.00 2.14 N ATOM 172 CA ILE A 13 -1.185 0.613 4.044 1.00 62.55 C ATOM 173 C ILE A 13 0.140 -0.067 3.692 1.00 24.14 C ATOM 174 O ILE A 13 1.205 0.569 3.695 1.00 64.41 O ATOM 175 CB ILE A 13 -2.169 0.703 2.855 1.00 74.40 C ATOM 176 CG1 ILE A 13 -1.575 1.558 1.722 1.00 11.44 C ATOM 177 CG2 ILE A 13 -3.534 1.256 3.299 1.00 25.50 C ATOM 178 CD1 ILE A 13 -1.957 1.033 0.345 1.00 24.25 C ATOM 0 H ILE A 13 -0.240 2.465 3.957 1.00 2.14 H new ATOM 0 HA ILE A 13 -1.688 0.004 4.795 1.00 62.55 H new ATOM 0 HB ILE A 13 -2.328 -0.307 2.476 1.00 74.40 H new ATOM 0 HG12 ILE A 13 -1.921 2.586 1.826 1.00 11.44 H new ATOM 0 HG13 ILE A 13 -0.489 1.576 1.814 1.00 11.44 H new ATOM 0 HG21 ILE A 13 -4.203 1.307 2.440 1.00 25.50 H new ATOM 0 HG22 ILE A 13 -3.964 0.599 4.055 1.00 25.50 H new ATOM 0 HG23 ILE A 13 -3.404 2.254 3.717 1.00 25.50 H new ATOM 0 HD11 ILE A 13 -1.515 1.669 -0.422 1.00 24.25 H new ATOM 0 HD12 ILE A 13 -1.588 0.014 0.229 1.00 24.25 H new ATOM 0 HD13 ILE A 13 -3.042 1.040 0.241 1.00 24.25 H new ATOM 190 N ILE A 14 0.102 -1.364 3.396 1.00 10.42 N ATOM 191 CA ILE A 14 1.290 -2.154 3.135 1.00 32.12 C ATOM 192 C ILE A 14 1.002 -3.048 1.941 1.00 40.00 C ATOM 193 O ILE A 14 0.142 -3.924 2.002 1.00 74.24 O ATOM 194 CB ILE A 14 1.716 -2.940 4.400 1.00 52.40 C ATOM 195 CG1 ILE A 14 2.073 -1.973 5.554 1.00 2.03 C ATOM 196 CG2 ILE A 14 2.869 -3.906 4.058 1.00 2.25 C ATOM 197 CD1 ILE A 14 2.419 -2.668 6.872 1.00 3.33 C ATOM 0 H ILE A 14 -0.766 -1.896 3.331 1.00 10.42 H new ATOM 0 HA ILE A 14 2.139 -1.516 2.891 1.00 32.12 H new ATOM 0 HB ILE A 14 0.878 -3.543 4.749 1.00 52.40 H new ATOM 0 HG12 ILE A 14 2.919 -1.357 5.248 1.00 2.03 H new ATOM 0 HG13 ILE A 14 1.233 -1.299 5.721 1.00 2.03 H new ATOM 0 HG21 ILE A 14 3.162 -4.454 4.953 1.00 2.25 H new ATOM 0 HG22 ILE A 14 2.540 -4.609 3.293 1.00 2.25 H new ATOM 0 HG23 ILE A 14 3.721 -3.338 3.685 1.00 2.25 H new ATOM 0 HD11 ILE A 14 2.657 -1.919 7.627 1.00 3.33 H new ATOM 0 HD12 ILE A 14 1.567 -3.261 7.205 1.00 3.33 H new ATOM 0 HD13 ILE A 14 3.280 -3.320 6.724 1.00 3.33 H new ATOM 209 N ILE A 15 1.742 -2.850 0.853 1.00 45.54 N ATOM 210 CA ILE A 15 1.695 -3.757 -0.282 1.00 24.23 C ATOM 211 C ILE A 15 2.436 -5.026 0.138 1.00 42.31 C ATOM 212 O ILE A 15 3.676 -5.071 0.099 1.00 14.35 O ATOM 213 CB ILE A 15 2.291 -3.104 -1.546 1.00 4.22 C ATOM 214 CG1 ILE A 15 1.690 -1.727 -1.887 1.00 43.21 C ATOM 215 CG2 ILE A 15 2.179 -4.068 -2.742 1.00 32.04 C ATOM 216 CD1 ILE A 15 0.162 -1.629 -1.845 1.00 1.11 C ATOM 0 H ILE A 15 2.383 -2.065 0.737 1.00 45.54 H new ATOM 0 HA ILE A 15 0.668 -4.004 -0.550 1.00 24.23 H new ATOM 0 HB ILE A 15 3.341 -2.912 -1.325 1.00 4.22 H new ATOM 0 HG12 ILE A 15 2.100 -0.993 -1.194 1.00 43.21 H new ATOM 0 HG13 ILE A 15 2.025 -1.444 -2.885 1.00 43.21 H new ATOM 0 HG21 ILE A 15 2.603 -3.598 -3.629 1.00 32.04 H new ATOM 0 HG22 ILE A 15 2.725 -4.986 -2.522 1.00 32.04 H new ATOM 0 HG23 ILE A 15 1.130 -4.304 -2.922 1.00 32.04 H new ATOM 0 HD11 ILE A 15 -0.145 -0.615 -2.102 1.00 1.11 H new ATOM 0 HD12 ILE A 15 -0.267 -2.330 -2.560 1.00 1.11 H new ATOM 0 HD13 ILE A 15 -0.191 -1.872 -0.843 1.00 1.11 H new ATOM 228 N GLN A 16 1.706 -6.051 0.586 1.00 3.14 N ATOM 229 CA GLN A 16 2.332 -7.325 0.848 1.00 61.45 C ATOM 230 C GLN A 16 2.837 -7.943 -0.445 1.00 74.35 C ATOM 231 O GLN A 16 2.070 -8.505 -1.211 1.00 34.32 O ATOM 232 CB GLN A 16 1.443 -8.323 1.607 1.00 23.23 C ATOM 233 CG GLN A 16 2.386 -9.286 2.324 1.00 51.31 C ATOM 234 CD GLN A 16 1.757 -10.254 3.313 1.00 25.12 C ATOM 235 OE1 GLN A 16 0.913 -11.065 2.956 1.00 64.44 O ATOM 236 NE2 GLN A 16 2.242 -10.232 4.547 1.00 2.00 N ATOM 0 H GLN A 16 0.703 -6.015 0.768 1.00 3.14 H new ATOM 0 HA GLN A 16 3.170 -7.111 1.512 1.00 61.45 H new ATOM 0 HB2 GLN A 16 0.801 -7.806 2.320 1.00 23.23 H new ATOM 0 HB3 GLN A 16 0.789 -8.860 0.920 1.00 23.23 H new ATOM 0 HG2 GLN A 16 2.915 -9.868 1.569 1.00 51.31 H new ATOM 0 HG3 GLN A 16 3.134 -8.697 2.855 1.00 51.31 H new ATOM 0 HE21 GLN A 16 2.945 -9.540 4.806 1.00 2.00 H new ATOM 0 HE22 GLN A 16 1.912 -10.907 5.237 1.00 2.00 H new ATOM 245 N GLY A 17 4.154 -7.962 -0.648 1.00 42.50 N ATOM 246 CA GLY A 17 4.758 -8.711 -1.753 1.00 50.34 C ATOM 247 C GLY A 17 4.775 -10.225 -1.522 1.00 13.02 C ATOM 248 O GLY A 17 5.720 -10.897 -1.947 1.00 72.45 O ATOM 0 H GLY A 17 4.825 -7.467 -0.061 1.00 42.50 H new ATOM 0 HA2 GLY A 17 4.210 -8.497 -2.670 1.00 50.34 H new ATOM 0 HA3 GLY A 17 5.780 -8.362 -1.903 1.00 50.34 H new ATOM 252 N LEU A 18 3.805 -10.750 -0.774 1.00 22.31 N ATOM 253 CA LEU A 18 3.351 -12.122 -0.828 1.00 44.24 C ATOM 254 C LEU A 18 2.175 -12.160 -1.798 1.00 71.32 C ATOM 255 O LEU A 18 1.374 -11.227 -1.827 1.00 71.40 O ATOM 256 CB LEU A 18 2.873 -12.513 0.576 1.00 74.14 C ATOM 257 CG LEU A 18 3.241 -13.932 0.988 1.00 35.45 C ATOM 258 CD1 LEU A 18 4.757 -14.048 1.193 1.00 0.14 C ATOM 259 CD2 LEU A 18 2.525 -14.190 2.309 1.00 11.22 C ATOM 0 H LEU A 18 3.296 -10.197 -0.084 1.00 22.31 H new ATOM 0 HA LEU A 18 4.136 -12.805 -1.151 1.00 44.24 H new ATOM 0 HB2 LEU A 18 3.296 -11.816 1.299 1.00 74.14 H new ATOM 0 HB3 LEU A 18 1.790 -12.402 0.623 1.00 74.14 H new ATOM 0 HG LEU A 18 2.951 -14.652 0.223 1.00 35.45 H new ATOM 0 HD11 LEU A 18 5.007 -15.067 1.487 1.00 0.14 H new ATOM 0 HD12 LEU A 18 5.270 -13.803 0.263 1.00 0.14 H new ATOM 0 HD13 LEU A 18 5.072 -13.357 1.975 1.00 0.14 H new ATOM 0 HD21 LEU A 18 2.753 -15.198 2.655 1.00 11.22 H new ATOM 0 HD22 LEU A 18 2.861 -13.467 3.052 1.00 11.22 H new ATOM 0 HD23 LEU A 18 1.449 -14.090 2.165 1.00 11.22 H new ATOM 271 N THR A 19 2.053 -13.216 -2.591 1.00 54.31 N ATOM 272 CA THR A 19 0.907 -13.358 -3.472 1.00 23.33 C ATOM 273 C THR A 19 -0.349 -13.682 -2.658 1.00 41.43 C ATOM 274 O THR A 19 -0.268 -14.051 -1.478 1.00 43.53 O ATOM 275 CB THR A 19 1.203 -14.435 -4.526 1.00 65.42 C ATOM 276 OG1 THR A 19 1.519 -15.678 -3.916 1.00 63.50 O ATOM 277 CG2 THR A 19 2.373 -14.022 -5.423 1.00 2.12 C ATOM 0 H THR A 19 2.728 -13.979 -2.641 1.00 54.31 H new ATOM 0 HA THR A 19 0.721 -12.419 -3.993 1.00 23.33 H new ATOM 0 HB THR A 19 0.301 -14.544 -5.128 1.00 65.42 H new ATOM 0 HG1 THR A 19 2.487 -15.738 -3.779 1.00 63.50 H new ATOM 0 HG21 THR A 19 2.560 -14.803 -6.160 1.00 2.12 H new ATOM 0 HG22 THR A 19 2.128 -13.092 -5.935 1.00 2.12 H new ATOM 0 HG23 THR A 19 3.265 -13.877 -4.814 1.00 2.12 H new ATOM 285 N ARG A 20 -1.514 -13.687 -3.315 1.00 41.50 N ATOM 286 CA ARG A 20 -2.746 -14.204 -2.728 1.00 75.04 C ATOM 287 C ARG A 20 -2.613 -15.668 -2.291 1.00 3.11 C ATOM 288 O ARG A 20 -3.295 -16.140 -1.387 1.00 75.32 O ATOM 289 CB ARG A 20 -3.883 -14.005 -3.737 1.00 55.04 C ATOM 290 CG ARG A 20 -3.899 -14.964 -4.933 1.00 5.21 C ATOM 291 CD ARG A 20 -2.862 -14.682 -6.016 1.00 44.50 C ATOM 292 NE ARG A 20 -3.463 -14.831 -7.357 1.00 51.23 N ATOM 293 CZ ARG A 20 -3.505 -15.936 -8.104 1.00 31.10 C ATOM 294 NH1 ARG A 20 -2.689 -16.948 -7.827 1.00 51.35 N ATOM 295 NH2 ARG A 20 -4.375 -16.014 -9.105 1.00 54.42 N ATOM 0 H ARG A 20 -1.625 -13.333 -4.265 1.00 41.50 H new ATOM 0 HA ARG A 20 -2.969 -13.650 -1.816 1.00 75.04 H new ATOM 0 HB2 ARG A 20 -4.831 -14.100 -3.208 1.00 55.04 H new ATOM 0 HB3 ARG A 20 -3.830 -12.984 -4.116 1.00 55.04 H new ATOM 0 HG2 ARG A 20 -3.747 -15.979 -4.565 1.00 5.21 H new ATOM 0 HG3 ARG A 20 -4.890 -14.934 -5.387 1.00 5.21 H new ATOM 0 HD2 ARG A 20 -2.468 -13.673 -5.897 1.00 44.50 H new ATOM 0 HD3 ARG A 20 -2.021 -15.367 -5.910 1.00 44.50 H new ATOM 0 HE ARG A 20 -3.894 -13.997 -7.756 1.00 51.23 H new ATOM 0 HH11 ARG A 20 -2.035 -16.877 -7.047 1.00 51.35 H new ATOM 0 HH12 ARG A 20 -2.716 -17.795 -8.394 1.00 51.35 H new ATOM 0 HH21 ARG A 20 -5.003 -15.234 -9.297 1.00 54.42 H new ATOM 0 HH22 ARG A 20 -4.415 -16.854 -9.682 1.00 54.42 H new ATOM 309 N ALA A 21 -1.720 -16.402 -2.960 1.00 21.43 N ATOM 310 CA ALA A 21 -1.412 -17.796 -2.673 1.00 53.21 C ATOM 311 C ALA A 21 -0.492 -17.951 -1.452 1.00 13.22 C ATOM 312 O ALA A 21 -0.202 -19.076 -1.040 1.00 72.24 O ATOM 313 CB ALA A 21 -0.799 -18.451 -3.918 1.00 41.00 C ATOM 0 H ALA A 21 -1.178 -16.027 -3.738 1.00 21.43 H new ATOM 0 HA ALA A 21 -2.343 -18.304 -2.420 1.00 53.21 H new ATOM 0 HB1 ALA A 21 -0.568 -19.495 -3.704 1.00 41.00 H new ATOM 0 HB2 ALA A 21 -1.509 -18.398 -4.744 1.00 41.00 H new ATOM 0 HB3 ALA A 21 0.116 -17.926 -4.192 1.00 41.00 H new ATOM 319 N GLY A 22 -0.007 -16.848 -0.877 1.00 44.31 N ATOM 320 CA GLY A 22 0.861 -16.849 0.287 1.00 13.22 C ATOM 321 C GLY A 22 2.273 -17.318 -0.045 1.00 23.31 C ATOM 322 O GLY A 22 2.896 -17.993 0.768 1.00 2.11 O ATOM 0 H GLY A 22 -0.216 -15.911 -1.221 1.00 44.31 H new ATOM 0 HA2 GLY A 22 0.904 -15.844 0.707 1.00 13.22 H new ATOM 0 HA3 GLY A 22 0.436 -17.497 1.054 1.00 13.22 H new ATOM 326 N LYS A 23 2.798 -17.017 -1.237 1.00 3.02 N ATOM 327 CA LYS A 23 4.191 -17.268 -1.587 1.00 12.22 C ATOM 328 C LYS A 23 4.893 -15.948 -1.893 1.00 51.32 C ATOM 329 O LYS A 23 4.231 -14.994 -2.302 1.00 72.03 O ATOM 330 CB LYS A 23 4.254 -18.241 -2.775 1.00 12.31 C ATOM 331 CG LYS A 23 4.272 -19.701 -2.290 1.00 34.12 C ATOM 332 CD LYS A 23 2.900 -20.345 -2.037 1.00 54.25 C ATOM 333 CE LYS A 23 2.992 -21.574 -1.116 1.00 40.43 C ATOM 334 NZ LYS A 23 3.687 -22.732 -1.721 1.00 3.03 N ATOM 0 H LYS A 23 2.259 -16.589 -1.990 1.00 3.02 H new ATOM 0 HA LYS A 23 4.711 -17.730 -0.748 1.00 12.22 H new ATOM 0 HB2 LYS A 23 3.395 -18.081 -3.427 1.00 12.31 H new ATOM 0 HB3 LYS A 23 5.146 -18.040 -3.368 1.00 12.31 H new ATOM 0 HG2 LYS A 23 4.802 -20.302 -3.029 1.00 34.12 H new ATOM 0 HG3 LYS A 23 4.849 -19.749 -1.367 1.00 34.12 H new ATOM 0 HD2 LYS A 23 2.232 -19.608 -1.590 1.00 54.25 H new ATOM 0 HD3 LYS A 23 2.458 -20.640 -2.989 1.00 54.25 H new ATOM 0 HE2 LYS A 23 3.511 -21.290 -0.200 1.00 40.43 H new ATOM 0 HE3 LYS A 23 1.985 -21.877 -0.831 1.00 40.43 H new ATOM 0 HZ1 LYS A 23 3.708 -23.518 -1.041 1.00 3.03 H new ATOM 0 HZ2 LYS A 23 3.182 -23.030 -2.579 1.00 3.03 H new ATOM 0 HZ3 LYS A 23 4.660 -22.462 -1.969 1.00 3.03 H new ATOM 348 N PRO A 24 6.219 -15.854 -1.702 1.00 73.20 N ATOM 349 CA PRO A 24 6.951 -14.624 -1.939 1.00 65.52 C ATOM 350 C PRO A 24 7.004 -14.344 -3.429 1.00 23.20 C ATOM 351 O PRO A 24 7.284 -15.226 -4.244 1.00 11.44 O ATOM 352 CB PRO A 24 8.344 -14.830 -1.352 1.00 65.32 C ATOM 353 CG PRO A 24 8.530 -16.342 -1.436 1.00 52.12 C ATOM 354 CD PRO A 24 7.119 -16.891 -1.227 1.00 70.34 C ATOM 0 HA PRO A 24 6.473 -13.763 -1.471 1.00 65.52 H new ATOM 0 HB2 PRO A 24 9.105 -14.297 -1.922 1.00 65.32 H new ATOM 0 HB3 PRO A 24 8.406 -14.472 -0.324 1.00 65.32 H new ATOM 0 HG2 PRO A 24 8.938 -16.643 -2.401 1.00 52.12 H new ATOM 0 HG3 PRO A 24 9.218 -16.704 -0.672 1.00 52.12 H new ATOM 0 HD2 PRO A 24 6.974 -17.819 -1.780 1.00 70.34 H new ATOM 0 HD3 PRO A 24 6.938 -17.115 -0.176 1.00 70.34 H new ATOM 362 N PHE A 25 6.759 -13.089 -3.774 1.00 73.51 N ATOM 363 CA PHE A 25 6.887 -12.627 -5.143 1.00 25.14 C ATOM 364 C PHE A 25 8.373 -12.504 -5.514 1.00 12.53 C ATOM 365 O PHE A 25 9.207 -12.288 -4.623 1.00 65.12 O ATOM 366 CB PHE A 25 6.134 -11.301 -5.254 1.00 63.55 C ATOM 367 CG PHE A 25 6.011 -10.773 -6.670 1.00 63.12 C ATOM 368 CD1 PHE A 25 5.271 -11.503 -7.622 1.00 2.41 C ATOM 369 CD2 PHE A 25 6.594 -9.543 -7.032 1.00 61.13 C ATOM 370 CE1 PHE A 25 5.153 -11.030 -8.939 1.00 53.02 C ATOM 371 CE2 PHE A 25 6.460 -9.062 -8.346 1.00 55.34 C ATOM 372 CZ PHE A 25 5.761 -9.817 -9.305 1.00 23.13 C ATOM 0 H PHE A 25 6.467 -12.367 -3.115 1.00 73.51 H new ATOM 0 HA PHE A 25 6.453 -13.333 -5.851 1.00 25.14 H new ATOM 0 HB2 PHE A 25 5.135 -11.427 -4.837 1.00 63.55 H new ATOM 0 HB3 PHE A 25 6.642 -10.555 -4.643 1.00 63.55 H new ATOM 0 HD1 PHE A 25 4.793 -12.429 -7.338 1.00 2.41 H new ATOM 0 HD2 PHE A 25 7.144 -8.970 -6.300 1.00 61.13 H new ATOM 0 HE1 PHE A 25 4.596 -11.598 -9.670 1.00 53.02 H new ATOM 0 HE2 PHE A 25 6.894 -8.112 -8.619 1.00 55.34 H new ATOM 0 HZ PHE A 25 5.691 -9.464 -10.323 1.00 23.13 H new ATOM 382 N ARG A 26 8.701 -12.581 -6.806 1.00 51.43 N ATOM 383 CA ARG A 26 9.986 -12.169 -7.373 1.00 24.21 C ATOM 384 C ARG A 26 9.698 -11.051 -8.379 1.00 12.13 C ATOM 385 O ARG A 26 8.657 -11.095 -9.037 1.00 42.44 O ATOM 386 CB ARG A 26 10.676 -13.318 -8.130 1.00 1.10 C ATOM 387 CG ARG A 26 11.215 -14.476 -7.280 1.00 33.41 C ATOM 388 CD ARG A 26 12.642 -14.183 -6.798 1.00 13.31 C ATOM 389 NE ARG A 26 13.221 -15.341 -6.101 1.00 62.31 N ATOM 390 CZ ARG A 26 13.266 -15.550 -4.781 1.00 21.32 C ATOM 391 NH1 ARG A 26 12.776 -14.635 -3.947 1.00 51.10 N ATOM 392 NH2 ARG A 26 13.798 -16.672 -4.311 1.00 51.14 N ATOM 0 H ARG A 26 8.057 -12.944 -7.509 1.00 51.43 H new ATOM 0 HA ARG A 26 10.643 -11.852 -6.563 1.00 24.21 H new ATOM 0 HB2 ARG A 26 9.967 -13.726 -8.850 1.00 1.10 H new ATOM 0 HB3 ARG A 26 11.505 -12.900 -8.701 1.00 1.10 H new ATOM 0 HG2 ARG A 26 10.563 -14.637 -6.422 1.00 33.41 H new ATOM 0 HG3 ARG A 26 11.206 -15.396 -7.864 1.00 33.41 H new ATOM 0 HD2 ARG A 26 13.268 -13.919 -7.650 1.00 13.31 H new ATOM 0 HD3 ARG A 26 12.632 -13.322 -6.130 1.00 13.31 H new ATOM 0 HE ARG A 26 13.634 -16.065 -6.689 1.00 62.31 H new ATOM 0 HH11 ARG A 26 12.367 -13.776 -4.315 1.00 51.10 H new ATOM 0 HH12 ARG A 26 12.810 -14.793 -2.940 1.00 51.10 H new ATOM 0 HH21 ARG A 26 14.170 -17.369 -4.956 1.00 51.14 H new ATOM 0 HH22 ARG A 26 13.835 -16.837 -3.305 1.00 51.14 H new ATOM 406 N PRO A 27 10.619 -10.106 -8.596 1.00 63.01 N ATOM 407 CA PRO A 27 11.938 -10.045 -7.990 1.00 22.11 C ATOM 408 C PRO A 27 11.826 -9.576 -6.540 1.00 1.01 C ATOM 409 O PRO A 27 10.899 -8.842 -6.218 1.00 30.02 O ATOM 410 CB PRO A 27 12.682 -8.994 -8.826 1.00 44.23 C ATOM 411 CG PRO A 27 11.577 -8.042 -9.269 1.00 14.35 C ATOM 412 CD PRO A 27 10.428 -9.008 -9.521 1.00 20.51 C ATOM 0 HA PRO A 27 12.443 -11.011 -7.977 1.00 22.11 H new ATOM 0 HB2 PRO A 27 13.443 -8.480 -8.239 1.00 44.23 H new ATOM 0 HB3 PRO A 27 13.189 -9.445 -9.679 1.00 44.23 H new ATOM 0 HG2 PRO A 27 11.335 -7.308 -8.500 1.00 14.35 H new ATOM 0 HG3 PRO A 27 11.850 -7.486 -10.166 1.00 14.35 H new ATOM 0 HD2 PRO A 27 9.466 -8.522 -9.356 1.00 20.51 H new ATOM 0 HD3 PRO A 27 10.434 -9.361 -10.552 1.00 20.51 H new ATOM 420 N SER A 28 12.772 -9.914 -5.663 1.00 70.13 N ATOM 421 CA SER A 28 12.873 -9.250 -4.365 1.00 11.30 C ATOM 422 C SER A 28 13.113 -7.745 -4.532 1.00 21.44 C ATOM 423 O SER A 28 12.645 -6.958 -3.710 1.00 70.31 O ATOM 424 CB SER A 28 13.967 -9.903 -3.515 1.00 21.31 C ATOM 425 OG SER A 28 13.583 -11.218 -3.142 1.00 2.21 O ATOM 0 H SER A 28 13.473 -10.637 -5.826 1.00 70.13 H new ATOM 0 HA SER A 28 11.924 -9.369 -3.842 1.00 11.30 H new ATOM 0 HB2 SER A 28 14.902 -9.935 -4.075 1.00 21.31 H new ATOM 0 HB3 SER A 28 14.150 -9.304 -2.623 1.00 21.31 H new ATOM 0 HG SER A 28 14.292 -11.625 -2.601 1.00 2.21 H new ATOM 431 N ASP A 29 13.746 -7.348 -5.638 1.00 30.10 N ATOM 432 CA ASP A 29 14.077 -5.969 -5.978 1.00 42.54 C ATOM 433 C ASP A 29 12.832 -5.096 -6.203 1.00 11.51 C ATOM 434 O ASP A 29 12.976 -3.876 -6.315 1.00 72.24 O ATOM 435 CB ASP A 29 14.956 -5.927 -7.245 1.00 73.24 C ATOM 436 CG ASP A 29 16.110 -6.934 -7.232 1.00 63.13 C ATOM 437 OD1 ASP A 29 17.185 -6.667 -6.645 1.00 61.33 O ATOM 438 OD2 ASP A 29 15.927 -8.075 -7.716 1.00 72.13 O ATOM 0 H ASP A 29 14.054 -8.010 -6.350 1.00 30.10 H new ATOM 0 HA ASP A 29 14.620 -5.562 -5.125 1.00 42.54 H new ATOM 0 HB2 ASP A 29 14.330 -6.118 -8.117 1.00 73.24 H new ATOM 0 HB3 ASP A 29 15.364 -4.923 -7.359 1.00 73.24 H new ATOM 443 N TRP A 30 11.621 -5.681 -6.276 1.00 13.32 N ATOM 444 CA TRP A 30 10.384 -4.964 -6.606 1.00 72.02 C ATOM 445 C TRP A 30 10.168 -3.768 -5.674 1.00 53.44 C ATOM 446 O TRP A 30 9.693 -2.714 -6.095 1.00 52.51 O ATOM 447 CB TRP A 30 9.158 -5.911 -6.597 1.00 25.04 C ATOM 448 CG TRP A 30 8.515 -6.251 -5.271 1.00 14.13 C ATOM 449 CD1 TRP A 30 8.631 -7.411 -4.583 1.00 11.31 C ATOM 450 CD2 TRP A 30 7.578 -5.445 -4.490 1.00 23.11 C ATOM 451 NE1 TRP A 30 7.887 -7.364 -3.428 1.00 11.21 N ATOM 452 CE2 TRP A 30 7.188 -6.182 -3.330 1.00 2.21 C ATOM 453 CE3 TRP A 30 7.014 -4.162 -4.648 1.00 24.34 C ATOM 454 CZ2 TRP A 30 6.297 -5.667 -2.373 1.00 60.44 C ATOM 455 CZ3 TRP A 30 6.136 -3.629 -3.688 1.00 42.32 C ATOM 456 CH2 TRP A 30 5.785 -4.377 -2.553 1.00 62.55 C ATOM 0 H TRP A 30 11.477 -6.676 -6.105 1.00 13.32 H new ATOM 0 HA TRP A 30 10.492 -4.579 -7.620 1.00 72.02 H new ATOM 0 HB2 TRP A 30 8.392 -5.466 -7.232 1.00 25.04 H new ATOM 0 HB3 TRP A 30 9.459 -6.847 -7.068 1.00 25.04 H new ATOM 0 HD1 TRP A 30 9.225 -8.256 -4.898 1.00 11.31 H new ATOM 0 HE1 TRP A 30 7.857 -8.110 -2.733 1.00 11.21 H new ATOM 0 HE3 TRP A 30 7.261 -3.578 -5.522 1.00 24.34 H new ATOM 0 HZ2 TRP A 30 6.012 -6.256 -1.514 1.00 60.44 H new ATOM 0 HZ3 TRP A 30 5.729 -2.638 -3.825 1.00 42.32 H new ATOM 0 HH2 TRP A 30 5.117 -3.955 -1.816 1.00 62.55 H new ATOM 467 N VAL A 31 10.526 -3.933 -4.402 1.00 30.22 N ATOM 468 CA VAL A 31 10.314 -2.948 -3.359 1.00 50.12 C ATOM 469 C VAL A 31 11.096 -1.679 -3.683 1.00 51.32 C ATOM 470 O VAL A 31 10.512 -0.592 -3.706 1.00 5.25 O ATOM 471 CB VAL A 31 10.704 -3.574 -2.009 1.00 40.12 C ATOM 472 CG1 VAL A 31 10.621 -2.576 -0.856 1.00 12.52 C ATOM 473 CG2 VAL A 31 9.779 -4.756 -1.694 1.00 50.32 C ATOM 0 H VAL A 31 10.983 -4.780 -4.066 1.00 30.22 H new ATOM 0 HA VAL A 31 9.266 -2.656 -3.297 1.00 50.12 H new ATOM 0 HB VAL A 31 11.739 -3.903 -2.103 1.00 40.12 H new ATOM 0 HG11 VAL A 31 10.906 -3.069 0.073 1.00 12.52 H new ATOM 0 HG12 VAL A 31 11.297 -1.742 -1.047 1.00 12.52 H new ATOM 0 HG13 VAL A 31 9.600 -2.203 -0.770 1.00 12.52 H new ATOM 0 HG21 VAL A 31 10.061 -5.194 -0.737 1.00 50.32 H new ATOM 0 HG22 VAL A 31 8.748 -4.407 -1.643 1.00 50.32 H new ATOM 0 HG23 VAL A 31 9.870 -5.508 -2.478 1.00 50.32 H new ATOM 483 N ASP A 32 12.401 -1.806 -3.933 1.00 25.03 N ATOM 484 CA ASP A 32 13.249 -0.651 -4.200 1.00 15.31 C ATOM 485 C ASP A 32 12.870 -0.044 -5.535 1.00 61.13 C ATOM 486 O ASP A 32 12.826 1.178 -5.634 1.00 30.51 O ATOM 487 CB ASP A 32 14.734 -1.012 -4.179 1.00 35.23 C ATOM 488 CG ASP A 32 15.295 -0.887 -2.763 1.00 62.23 C ATOM 489 OD1 ASP A 32 15.015 -1.767 -1.916 1.00 45.03 O ATOM 490 OD2 ASP A 32 15.997 0.106 -2.477 1.00 14.01 O ATOM 0 H ASP A 32 12.891 -2.701 -3.955 1.00 25.03 H new ATOM 0 HA ASP A 32 13.087 0.078 -3.406 1.00 15.31 H new ATOM 0 HB2 ASP A 32 14.872 -2.030 -4.543 1.00 35.23 H new ATOM 0 HB3 ASP A 32 15.284 -0.355 -4.854 1.00 35.23 H new ATOM 495 N ARG A 33 12.520 -0.876 -6.526 1.00 0.32 N ATOM 496 CA ARG A 33 12.033 -0.396 -7.813 1.00 42.21 C ATOM 497 C ARG A 33 10.858 0.559 -7.638 1.00 75.33 C ATOM 498 O ARG A 33 10.835 1.601 -8.297 1.00 70.42 O ATOM 499 CB ARG A 33 11.655 -1.558 -8.745 1.00 50.13 C ATOM 500 CG ARG A 33 12.854 -2.126 -9.518 1.00 31.23 C ATOM 501 CD ARG A 33 12.362 -3.020 -10.669 1.00 14.25 C ATOM 502 NE ARG A 33 13.305 -3.055 -11.804 1.00 73.22 N ATOM 503 CZ ARG A 33 13.050 -2.716 -13.079 1.00 22.23 C ATOM 504 NH1 ARG A 33 11.877 -2.215 -13.455 1.00 11.23 N ATOM 505 NH2 ARG A 33 13.991 -2.899 -13.988 1.00 24.01 N ATOM 0 H ARG A 33 12.568 -1.892 -6.453 1.00 0.32 H new ATOM 0 HA ARG A 33 12.850 0.153 -8.281 1.00 42.21 H new ATOM 0 HB2 ARG A 33 11.200 -2.354 -8.156 1.00 50.13 H new ATOM 0 HB3 ARG A 33 10.902 -1.216 -9.455 1.00 50.13 H new ATOM 0 HG2 ARG A 33 13.461 -1.312 -9.913 1.00 31.23 H new ATOM 0 HG3 ARG A 33 13.491 -2.702 -8.846 1.00 31.23 H new ATOM 0 HD2 ARG A 33 12.209 -4.033 -10.297 1.00 14.25 H new ATOM 0 HD3 ARG A 33 11.394 -2.659 -11.017 1.00 14.25 H new ATOM 0 HE ARG A 33 14.253 -3.371 -11.598 1.00 73.22 H new ATOM 0 HH11 ARG A 33 11.137 -2.077 -12.767 1.00 11.23 H new ATOM 0 HH12 ARG A 33 11.717 -1.968 -14.432 1.00 11.23 H new ATOM 0 HH21 ARG A 33 14.893 -3.292 -13.717 1.00 24.01 H new ATOM 0 HH22 ARG A 33 13.816 -2.648 -14.961 1.00 24.01 H new ATOM 519 N MET A 34 9.880 0.237 -6.788 1.00 1.13 N ATOM 520 CA MET A 34 8.774 1.154 -6.544 1.00 33.10 C ATOM 521 C MET A 34 9.266 2.395 -5.805 1.00 31.45 C ATOM 522 O MET A 34 8.918 3.510 -6.200 1.00 41.53 O ATOM 523 CB MET A 34 7.644 0.481 -5.755 1.00 22.23 C ATOM 524 CG MET A 34 6.995 -0.662 -6.538 1.00 44.05 C ATOM 525 SD MET A 34 6.285 -0.196 -8.139 1.00 20.11 S ATOM 526 CE MET A 34 4.694 0.491 -7.628 1.00 4.33 C ATOM 0 H MET A 34 9.834 -0.638 -6.267 1.00 1.13 H new ATOM 0 HA MET A 34 8.372 1.451 -7.513 1.00 33.10 H new ATOM 0 HB2 MET A 34 8.039 0.097 -4.814 1.00 22.23 H new ATOM 0 HB3 MET A 34 6.886 1.223 -5.504 1.00 22.23 H new ATOM 0 HG2 MET A 34 7.742 -1.438 -6.702 1.00 44.05 H new ATOM 0 HG3 MET A 34 6.209 -1.101 -5.924 1.00 44.05 H new ATOM 0 HE1 MET A 34 4.112 0.756 -8.511 1.00 4.33 H new ATOM 0 HE2 MET A 34 4.149 -0.250 -7.043 1.00 4.33 H new ATOM 0 HE3 MET A 34 4.860 1.381 -7.022 1.00 4.33 H new ATOM 536 N CYS A 35 10.037 2.227 -4.722 1.00 33.53 N ATOM 537 CA CYS A 35 10.499 3.344 -3.899 1.00 45.21 C ATOM 538 C CYS A 35 11.205 4.393 -4.764 1.00 35.45 C ATOM 539 O CYS A 35 10.885 5.580 -4.680 1.00 70.44 O ATOM 540 CB CYS A 35 11.464 2.862 -2.807 1.00 24.00 C ATOM 541 SG CYS A 35 10.656 1.780 -1.598 1.00 32.34 S ATOM 0 H CYS A 35 10.355 1.314 -4.396 1.00 33.53 H new ATOM 0 HA CYS A 35 9.623 3.789 -3.428 1.00 45.21 H new ATOM 0 HB2 CYS A 35 12.294 2.329 -3.270 1.00 24.00 H new ATOM 0 HB3 CYS A 35 11.886 3.725 -2.293 1.00 24.00 H new ATOM 0 HG CYS A 35 10.418 0.623 -2.142 1.00 32.34 H new ATOM 547 N SER A 36 12.152 3.951 -5.588 1.00 15.34 N ATOM 548 CA SER A 36 13.016 4.793 -6.390 1.00 11.12 C ATOM 549 C SER A 36 12.223 5.595 -7.412 1.00 21.22 C ATOM 550 O SER A 36 12.422 6.798 -7.552 1.00 33.01 O ATOM 551 CB SER A 36 14.057 3.877 -7.032 1.00 61.12 C ATOM 552 OG SER A 36 13.563 3.104 -8.106 1.00 71.11 O ATOM 0 H SER A 36 12.340 2.957 -5.715 1.00 15.34 H new ATOM 0 HA SER A 36 13.515 5.541 -5.774 1.00 11.12 H new ATOM 0 HB2 SER A 36 14.889 4.484 -7.388 1.00 61.12 H new ATOM 0 HB3 SER A 36 14.455 3.207 -6.270 1.00 61.12 H new ATOM 0 HG SER A 36 12.706 2.702 -7.853 1.00 71.11 H new ATOM 558 N THR A 37 11.300 4.918 -8.088 1.00 45.45 N ATOM 559 CA THR A 37 10.435 5.510 -9.108 1.00 20.43 C ATOM 560 C THR A 37 9.679 6.740 -8.576 1.00 72.45 C ATOM 561 O THR A 37 9.448 7.693 -9.316 1.00 62.31 O ATOM 562 CB THR A 37 9.454 4.446 -9.638 1.00 64.02 C ATOM 563 OG1 THR A 37 10.132 3.323 -10.153 1.00 33.33 O ATOM 564 CG2 THR A 37 8.593 4.996 -10.772 1.00 74.31 C ATOM 0 H THR A 37 11.127 3.924 -7.941 1.00 45.45 H new ATOM 0 HA THR A 37 11.064 5.857 -9.928 1.00 20.43 H new ATOM 0 HB THR A 37 8.837 4.163 -8.785 1.00 64.02 H new ATOM 0 HG1 THR A 37 10.089 2.589 -9.505 1.00 33.33 H new ATOM 0 HG21 THR A 37 7.913 4.219 -11.122 1.00 74.31 H new ATOM 0 HG22 THR A 37 8.016 5.848 -10.411 1.00 74.31 H new ATOM 0 HG23 THR A 37 9.234 5.314 -11.594 1.00 74.31 H new ATOM 572 N TYR A 38 9.286 6.727 -7.300 1.00 1.01 N ATOM 573 CA TYR A 38 8.494 7.791 -6.689 1.00 35.13 C ATOM 574 C TYR A 38 9.384 8.837 -6.003 1.00 0.52 C ATOM 575 O TYR A 38 8.881 9.864 -5.532 1.00 71.20 O ATOM 576 CB TYR A 38 7.508 7.153 -5.695 1.00 64.20 C ATOM 577 CG TYR A 38 6.285 6.496 -6.323 1.00 33.11 C ATOM 578 CD1 TYR A 38 6.412 5.455 -7.264 1.00 61.44 C ATOM 579 CD2 TYR A 38 4.995 6.908 -5.939 1.00 71.32 C ATOM 580 CE1 TYR A 38 5.284 4.878 -7.868 1.00 23.24 C ATOM 581 CE2 TYR A 38 3.857 6.316 -6.512 1.00 34.32 C ATOM 582 CZ TYR A 38 3.993 5.311 -7.500 1.00 23.35 C ATOM 583 OH TYR A 38 2.906 4.721 -8.065 1.00 14.01 O ATOM 0 H TYR A 38 9.512 5.968 -6.657 1.00 1.01 H new ATOM 0 HA TYR A 38 7.941 8.322 -7.464 1.00 35.13 H new ATOM 0 HB2 TYR A 38 8.041 6.405 -5.109 1.00 64.20 H new ATOM 0 HB3 TYR A 38 7.170 7.921 -4.999 1.00 64.20 H new ATOM 0 HD1 TYR A 38 7.396 5.094 -7.525 1.00 61.44 H new ATOM 0 HD2 TYR A 38 4.879 7.685 -5.198 1.00 71.32 H new ATOM 0 HE1 TYR A 38 5.404 4.105 -8.612 1.00 23.24 H new ATOM 0 HE2 TYR A 38 2.873 6.629 -6.197 1.00 34.32 H new ATOM 0 HH TYR A 38 2.099 5.223 -7.824 1.00 14.01 H new ATOM 593 N ALA A 39 10.687 8.575 -5.899 1.00 61.14 N ATOM 594 CA ALA A 39 11.665 9.414 -5.237 1.00 5.32 C ATOM 595 C ALA A 39 12.151 10.508 -6.192 1.00 0.42 C ATOM 596 O ALA A 39 11.635 10.678 -7.298 1.00 35.22 O ATOM 597 CB ALA A 39 12.815 8.512 -4.778 1.00 41.35 C ATOM 0 H ALA A 39 11.100 7.731 -6.295 1.00 61.14 H new ATOM 0 HA ALA A 39 11.230 9.916 -4.373 1.00 5.32 H new ATOM 0 HB1 ALA A 39 13.571 9.114 -4.274 1.00 41.35 H new ATOM 0 HB2 ALA A 39 12.433 7.758 -4.089 1.00 41.35 H new ATOM 0 HB3 ALA A 39 13.260 8.021 -5.643 1.00 41.35 H new ATOM 603 N SER A 40 13.150 11.275 -5.770 1.00 24.12 N ATOM 604 CA SER A 40 13.893 12.229 -6.586 1.00 51.11 C ATOM 605 C SER A 40 15.246 12.432 -5.916 1.00 71.20 C ATOM 606 O SER A 40 15.488 11.956 -4.799 1.00 10.52 O ATOM 607 CB SER A 40 13.103 13.540 -6.723 1.00 11.33 C ATOM 608 OG SER A 40 11.938 13.350 -7.516 1.00 21.44 O ATOM 0 H SER A 40 13.479 11.247 -4.805 1.00 24.12 H new ATOM 0 HA SER A 40 14.044 11.859 -7.600 1.00 51.11 H new ATOM 0 HB2 SER A 40 12.820 13.904 -5.735 1.00 11.33 H new ATOM 0 HB3 SER A 40 13.735 14.304 -7.175 1.00 11.33 H new ATOM 0 HG SER A 40 11.865 12.406 -7.769 1.00 21.44 H new ATOM 728 N ARG A 48 16.577 10.059 -2.890 1.00 22.23 N ATOM 729 CA ARG A 48 16.037 10.195 -1.542 1.00 13.11 C ATOM 730 C ARG A 48 14.610 9.675 -1.556 1.00 64.44 C ATOM 731 O ARG A 48 13.719 10.359 -2.059 1.00 5.12 O ATOM 732 CB ARG A 48 16.163 11.659 -1.055 1.00 74.24 C ATOM 733 CG ARG A 48 16.739 11.799 0.364 1.00 32.53 C ATOM 734 CD ARG A 48 15.744 11.469 1.481 1.00 32.12 C ATOM 735 NE ARG A 48 16.323 11.678 2.827 1.00 32.05 N ATOM 736 CZ ARG A 48 15.633 11.700 3.979 1.00 31.10 C ATOM 737 NH1 ARG A 48 14.321 11.513 3.976 1.00 13.25 N ATOM 738 NH2 ARG A 48 16.246 11.912 5.141 1.00 21.54 N ATOM 0 HA ARG A 48 16.603 9.603 -0.823 1.00 13.11 H new ATOM 0 HB2 ARG A 48 16.798 12.209 -1.750 1.00 74.24 H new ATOM 0 HB3 ARG A 48 15.179 12.127 -1.084 1.00 74.24 H new ATOM 0 HG2 ARG A 48 17.605 11.144 0.459 1.00 32.53 H new ATOM 0 HG3 ARG A 48 17.095 12.820 0.500 1.00 32.53 H new ATOM 0 HD2 ARG A 48 14.856 12.091 1.369 1.00 32.12 H new ATOM 0 HD3 ARG A 48 15.422 10.432 1.383 1.00 32.12 H new ATOM 0 HE ARG A 48 17.332 11.817 2.885 1.00 32.05 H new ATOM 0 HH11 ARG A 48 13.831 11.351 3.096 1.00 13.25 H new ATOM 0 HH12 ARG A 48 13.801 11.531 4.854 1.00 13.25 H new ATOM 0 HH21 ARG A 48 17.255 12.061 5.166 1.00 21.54 H new ATOM 0 HH22 ARG A 48 15.707 11.926 6.007 1.00 21.54 H new ATOM 752 N TYR A 49 14.399 8.443 -1.088 1.00 4.40 N ATOM 753 CA TYR A 49 13.062 7.852 -1.030 1.00 34.14 C ATOM 754 C TYR A 49 12.179 8.739 -0.162 1.00 34.35 C ATOM 755 O TYR A 49 12.657 9.284 0.837 1.00 65.35 O ATOM 756 CB TYR A 49 13.106 6.412 -0.491 1.00 62.14 C ATOM 757 CG TYR A 49 13.853 5.377 -1.326 1.00 32.13 C ATOM 758 CD1 TYR A 49 14.279 5.646 -2.643 1.00 50.42 C ATOM 759 CD2 TYR A 49 14.082 4.099 -0.778 1.00 61.11 C ATOM 760 CE1 TYR A 49 14.938 4.659 -3.394 1.00 52.13 C ATOM 761 CE2 TYR A 49 14.720 3.096 -1.533 1.00 13.33 C ATOM 762 CZ TYR A 49 15.145 3.375 -2.850 1.00 42.42 C ATOM 763 OH TYR A 49 15.751 2.425 -3.611 1.00 43.34 O ATOM 0 H TYR A 49 15.141 7.834 -0.743 1.00 4.40 H new ATOM 0 HA TYR A 49 12.647 7.795 -2.036 1.00 34.14 H new ATOM 0 HB2 TYR A 49 13.558 6.436 0.500 1.00 62.14 H new ATOM 0 HB3 TYR A 49 12.080 6.067 -0.365 1.00 62.14 H new ATOM 0 HD1 TYR A 49 14.097 6.618 -3.077 1.00 50.42 H new ATOM 0 HD2 TYR A 49 13.765 3.886 0.232 1.00 61.11 H new ATOM 0 HE1 TYR A 49 15.287 4.884 -4.391 1.00 52.13 H new ATOM 0 HE2 TYR A 49 14.883 2.117 -1.106 1.00 13.33 H new ATOM 0 HH TYR A 49 15.990 1.659 -3.049 1.00 43.34 H new ATOM 773 N SER A 50 10.924 8.918 -0.561 1.00 30.12 N ATOM 774 CA SER A 50 9.946 9.699 0.181 1.00 75.24 C ATOM 775 C SER A 50 9.706 9.074 1.559 1.00 1.35 C ATOM 776 O SER A 50 9.727 7.850 1.684 1.00 20.15 O ATOM 777 CB SER A 50 8.640 9.768 -0.624 1.00 52.24 C ATOM 778 OG SER A 50 8.858 10.366 -1.890 1.00 11.14 O ATOM 0 H SER A 50 10.554 8.517 -1.423 1.00 30.12 H new ATOM 0 HA SER A 50 10.323 10.711 0.332 1.00 75.24 H new ATOM 0 HB2 SER A 50 8.236 8.764 -0.756 1.00 52.24 H new ATOM 0 HB3 SER A 50 7.896 10.341 -0.070 1.00 52.24 H new ATOM 0 HG SER A 50 8.014 10.398 -2.386 1.00 11.14 H new ATOM 784 N PRO A 51 9.389 9.879 2.588 1.00 50.03 N ATOM 785 CA PRO A 51 9.120 9.355 3.924 1.00 44.15 C ATOM 786 C PRO A 51 7.879 8.453 3.917 1.00 45.10 C ATOM 787 O PRO A 51 7.751 7.543 4.735 1.00 4.41 O ATOM 788 CB PRO A 51 8.933 10.593 4.804 1.00 45.13 C ATOM 789 CG PRO A 51 8.432 11.659 3.829 1.00 73.21 C ATOM 790 CD PRO A 51 9.160 11.317 2.537 1.00 33.43 C ATOM 0 HA PRO A 51 9.929 8.727 4.297 1.00 44.15 H new ATOM 0 HB2 PRO A 51 8.214 10.411 5.603 1.00 45.13 H new ATOM 0 HB3 PRO A 51 9.868 10.892 5.278 1.00 45.13 H new ATOM 0 HG2 PRO A 51 7.350 11.615 3.705 1.00 73.21 H new ATOM 0 HG3 PRO A 51 8.673 12.665 4.173 1.00 73.21 H new ATOM 0 HD2 PRO A 51 8.563 11.589 1.666 1.00 33.43 H new ATOM 0 HD3 PRO A 51 10.101 11.862 2.461 1.00 33.43 H new ATOM 798 N TYR A 52 6.981 8.667 2.956 1.00 52.33 N ATOM 799 CA TYR A 52 5.736 7.937 2.803 1.00 25.21 C ATOM 800 C TYR A 52 5.921 6.533 2.254 1.00 30.34 C ATOM 801 O TYR A 52 4.936 5.820 2.099 1.00 12.42 O ATOM 802 CB TYR A 52 4.778 8.773 1.936 1.00 21.12 C ATOM 803 CG TYR A 52 4.673 10.211 2.414 1.00 60.30 C ATOM 804 CD1 TYR A 52 4.494 10.468 3.787 1.00 51.34 C ATOM 805 CD2 TYR A 52 4.868 11.285 1.522 1.00 32.55 C ATOM 806 CE1 TYR A 52 4.576 11.774 4.282 1.00 44.33 C ATOM 807 CE2 TYR A 52 4.928 12.601 2.012 1.00 24.54 C ATOM 808 CZ TYR A 52 4.827 12.846 3.399 1.00 53.13 C ATOM 809 OH TYR A 52 5.001 14.102 3.882 1.00 63.15 O ATOM 0 H TYR A 52 7.111 9.381 2.239 1.00 52.33 H new ATOM 0 HA TYR A 52 5.304 7.790 3.793 1.00 25.21 H new ATOM 0 HB2 TYR A 52 5.123 8.761 0.902 1.00 21.12 H new ATOM 0 HB3 TYR A 52 3.789 8.316 1.947 1.00 21.12 H new ATOM 0 HD1 TYR A 52 4.292 9.650 4.463 1.00 51.34 H new ATOM 0 HD2 TYR A 52 4.971 11.097 0.464 1.00 32.55 H new ATOM 0 HE1 TYR A 52 4.447 11.961 5.338 1.00 44.33 H new ATOM 0 HE2 TYR A 52 5.052 13.426 1.326 1.00 24.54 H new ATOM 0 HH TYR A 52 5.165 14.719 3.138 1.00 63.15 H new ATOM 819 N LEU A 53 7.146 6.135 1.923 1.00 62.31 N ATOM 820 CA LEU A 53 7.395 5.022 1.034 1.00 41.22 C ATOM 821 C LEU A 53 8.687 4.364 1.477 1.00 3.44 C ATOM 822 O LEU A 53 9.770 4.724 1.021 1.00 52.51 O ATOM 823 CB LEU A 53 7.432 5.578 -0.398 1.00 40.40 C ATOM 824 CG LEU A 53 6.094 5.410 -1.137 1.00 63.41 C ATOM 825 CD1 LEU A 53 6.118 6.246 -2.419 1.00 71.44 C ATOM 826 CD2 LEU A 53 5.827 3.940 -1.476 1.00 62.11 C ATOM 0 H LEU A 53 7.994 6.583 2.270 1.00 62.31 H new ATOM 0 HA LEU A 53 6.621 4.255 1.061 1.00 41.22 H new ATOM 0 HB2 LEU A 53 7.694 6.636 -0.366 1.00 40.40 H new ATOM 0 HB3 LEU A 53 8.218 5.072 -0.959 1.00 40.40 H new ATOM 0 HG LEU A 53 5.291 5.753 -0.485 1.00 63.41 H new ATOM 0 HD11 LEU A 53 5.171 6.130 -2.947 1.00 71.44 H new ATOM 0 HD12 LEU A 53 6.266 7.296 -2.166 1.00 71.44 H new ATOM 0 HD13 LEU A 53 6.933 5.908 -3.058 1.00 71.44 H new ATOM 0 HD21 LEU A 53 4.874 3.854 -1.998 1.00 62.11 H new ATOM 0 HD22 LEU A 53 6.626 3.563 -2.115 1.00 62.11 H new ATOM 0 HD23 LEU A 53 5.791 3.355 -0.557 1.00 62.11 H new ATOM 838 N LYS A 54 8.586 3.425 2.420 1.00 73.32 N ATOM 839 CA LYS A 54 9.760 2.760 2.974 1.00 34.14 C ATOM 840 C LYS A 54 9.727 1.269 2.666 1.00 63.33 C ATOM 841 O LYS A 54 8.669 0.648 2.794 1.00 13.11 O ATOM 842 CB LYS A 54 9.827 2.962 4.499 1.00 50.10 C ATOM 843 CG LYS A 54 10.782 4.095 4.912 1.00 4.51 C ATOM 844 CD LYS A 54 11.374 3.836 6.308 1.00 73.21 C ATOM 845 CE LYS A 54 12.402 2.688 6.288 1.00 53.04 C ATOM 846 NZ LYS A 54 13.673 3.106 5.658 1.00 32.44 N ATOM 0 H LYS A 54 7.700 3.110 2.815 1.00 73.32 H new ATOM 0 HA LYS A 54 10.643 3.202 2.513 1.00 34.14 H new ATOM 0 HB2 LYS A 54 8.828 3.181 4.876 1.00 50.10 H new ATOM 0 HB3 LYS A 54 10.149 2.033 4.970 1.00 50.10 H new ATOM 0 HG2 LYS A 54 11.587 4.181 4.182 1.00 4.51 H new ATOM 0 HG3 LYS A 54 10.247 5.045 4.910 1.00 4.51 H new ATOM 0 HD2 LYS A 54 11.851 4.745 6.675 1.00 73.21 H new ATOM 0 HD3 LYS A 54 10.571 3.593 7.004 1.00 73.21 H new ATOM 0 HE2 LYS A 54 12.594 2.353 7.307 1.00 53.04 H new ATOM 0 HE3 LYS A 54 11.989 1.838 5.745 1.00 53.04 H new ATOM 0 HZ1 LYS A 54 14.374 2.344 5.752 1.00 32.44 H new ATOM 0 HZ2 LYS A 54 13.512 3.305 4.650 1.00 32.44 H new ATOM 0 HZ3 LYS A 54 14.028 3.963 6.128 1.00 32.44 H new ATOM 860 N PRO A 55 10.892 0.654 2.409 1.00 1.42 N ATOM 861 CA PRO A 55 11.029 -0.786 2.474 1.00 53.55 C ATOM 862 C PRO A 55 10.965 -1.220 3.940 1.00 23.22 C ATOM 863 O PRO A 55 11.300 -0.457 4.854 1.00 41.22 O ATOM 864 CB PRO A 55 12.399 -1.074 1.856 1.00 22.23 C ATOM 865 CG PRO A 55 13.219 0.176 2.173 1.00 1.24 C ATOM 866 CD PRO A 55 12.179 1.290 2.155 1.00 30.11 C ATOM 0 HA PRO A 55 10.243 -1.327 1.947 1.00 53.55 H new ATOM 0 HB2 PRO A 55 12.851 -1.967 2.287 1.00 22.23 H new ATOM 0 HB3 PRO A 55 12.325 -1.241 0.781 1.00 22.23 H new ATOM 0 HG2 PRO A 55 13.710 0.100 3.143 1.00 1.24 H new ATOM 0 HG3 PRO A 55 14.001 0.343 1.432 1.00 1.24 H new ATOM 0 HD2 PRO A 55 12.399 2.039 2.915 1.00 30.11 H new ATOM 0 HD3 PRO A 55 12.176 1.803 1.193 1.00 30.11 H new ATOM 874 N ARG A 56 10.600 -2.480 4.146 1.00 14.10 N ATOM 875 CA ARG A 56 10.653 -3.194 5.412 1.00 71.44 C ATOM 876 C ARG A 56 11.194 -4.596 5.122 1.00 52.14 C ATOM 877 O ARG A 56 11.771 -4.831 4.061 1.00 14.20 O ATOM 878 CB ARG A 56 9.242 -3.194 6.031 1.00 5.13 C ATOM 879 CG ARG A 56 8.997 -1.875 6.770 1.00 22.31 C ATOM 880 CD ARG A 56 7.694 -1.899 7.567 1.00 53.31 C ATOM 881 NE ARG A 56 7.083 -0.560 7.672 1.00 71.04 N ATOM 882 CZ ARG A 56 5.828 -0.291 8.061 1.00 53.12 C ATOM 883 NH1 ARG A 56 5.042 -1.249 8.538 1.00 5.31 N ATOM 884 NH2 ARG A 56 5.349 0.946 7.960 1.00 60.22 N ATOM 0 H ARG A 56 10.239 -3.062 3.390 1.00 14.10 H new ATOM 0 HA ARG A 56 11.315 -2.724 6.140 1.00 71.44 H new ATOM 0 HB2 ARG A 56 8.493 -3.328 5.251 1.00 5.13 H new ATOM 0 HB3 ARG A 56 9.138 -4.032 6.720 1.00 5.13 H new ATOM 0 HG2 ARG A 56 9.831 -1.677 7.444 1.00 22.31 H new ATOM 0 HG3 ARG A 56 8.967 -1.057 6.051 1.00 22.31 H new ATOM 0 HD2 ARG A 56 6.991 -2.582 7.090 1.00 53.31 H new ATOM 0 HD3 ARG A 56 7.888 -2.288 8.567 1.00 53.31 H new ATOM 0 HE ARG A 56 7.671 0.236 7.425 1.00 71.04 H new ATOM 0 HH11 ARG A 56 5.391 -2.205 8.613 1.00 5.31 H new ATOM 0 HH12 ARG A 56 4.090 -1.029 8.830 1.00 5.31 H new ATOM 0 HH21 ARG A 56 5.936 1.691 7.586 1.00 60.22 H new ATOM 0 HH22 ARG A 56 4.394 1.149 8.256 1.00 60.22 H new ATOM 898 N VAL A 57 11.053 -5.526 6.054 1.00 61.23 N ATOM 899 CA VAL A 57 10.804 -6.933 5.862 1.00 21.21 C ATOM 900 C VAL A 57 10.110 -7.504 7.092 1.00 31.32 C ATOM 901 O VAL A 57 10.407 -7.071 8.210 1.00 60.53 O ATOM 902 CB VAL A 57 12.107 -7.610 5.482 1.00 44.31 C ATOM 903 CG1 VAL A 57 13.310 -7.323 6.354 1.00 72.12 C ATOM 904 CG2 VAL A 57 11.976 -9.107 5.199 1.00 73.21 C ATOM 0 H VAL A 57 11.116 -5.288 7.044 1.00 61.23 H new ATOM 0 HA VAL A 57 10.116 -7.118 5.037 1.00 21.21 H new ATOM 0 HB VAL A 57 12.327 -7.107 4.540 1.00 44.31 H new ATOM 0 HG11 VAL A 57 14.174 -7.868 5.973 1.00 72.12 H new ATOM 0 HG12 VAL A 57 13.521 -6.254 6.342 1.00 72.12 H new ATOM 0 HG13 VAL A 57 13.103 -7.640 7.376 1.00 72.12 H new ATOM 0 HG21 VAL A 57 12.952 -9.514 4.935 1.00 73.21 H new ATOM 0 HG22 VAL A 57 11.600 -9.614 6.088 1.00 73.21 H new ATOM 0 HG23 VAL A 57 11.283 -9.262 4.372 1.00 73.21 H new ATOM 914 N ILE A 58 9.170 -8.442 6.908 1.00 71.51 N ATOM 915 CA ILE A 58 8.369 -9.021 7.983 1.00 72.04 C ATOM 916 C ILE A 58 8.553 -10.508 7.767 1.00 61.23 C ATOM 917 O ILE A 58 8.064 -11.031 6.775 1.00 13.32 O ATOM 918 CB ILE A 58 6.888 -8.553 7.929 1.00 10.51 C ATOM 919 CG1 ILE A 58 6.731 -7.015 7.991 1.00 41.15 C ATOM 920 CG2 ILE A 58 6.137 -9.160 9.120 1.00 71.34 C ATOM 921 CD1 ILE A 58 6.829 -6.299 6.631 1.00 33.44 C ATOM 0 H ILE A 58 8.945 -8.823 5.989 1.00 71.51 H new ATOM 0 HA ILE A 58 8.678 -8.710 8.981 1.00 72.04 H new ATOM 0 HB ILE A 58 6.482 -8.886 6.974 1.00 10.51 H new ATOM 0 HG12 ILE A 58 5.766 -6.780 8.440 1.00 41.15 H new ATOM 0 HG13 ILE A 58 7.497 -6.612 8.653 1.00 41.15 H new ATOM 0 HG21 ILE A 58 5.095 -8.840 9.095 1.00 71.34 H new ATOM 0 HG22 ILE A 58 6.184 -10.248 9.064 1.00 71.34 H new ATOM 0 HG23 ILE A 58 6.597 -8.825 10.049 1.00 71.34 H new ATOM 0 HD11 ILE A 58 6.707 -5.226 6.775 1.00 33.44 H new ATOM 0 HD12 ILE A 58 7.804 -6.497 6.185 1.00 33.44 H new ATOM 0 HD13 ILE A 58 6.046 -6.667 5.969 1.00 33.44 H new ATOM 933 N GLU A 59 9.358 -11.179 8.589 1.00 14.54 N ATOM 934 CA GLU A 59 9.585 -12.632 8.542 1.00 23.32 C ATOM 935 C GLU A 59 10.243 -13.158 7.247 1.00 73.31 C ATOM 936 O GLU A 59 10.568 -14.343 7.138 1.00 74.22 O ATOM 937 CB GLU A 59 8.264 -13.369 8.854 1.00 51.21 C ATOM 938 CG GLU A 59 7.626 -12.912 10.170 1.00 0.33 C ATOM 939 CD GLU A 59 6.344 -13.659 10.481 1.00 61.41 C ATOM 940 OE1 GLU A 59 6.444 -14.848 10.858 1.00 53.43 O ATOM 941 OE2 GLU A 59 5.263 -13.027 10.447 1.00 21.32 O ATOM 0 H GLU A 59 9.888 -10.719 9.329 1.00 14.54 H new ATOM 0 HA GLU A 59 10.327 -12.848 9.310 1.00 23.32 H new ATOM 0 HB2 GLU A 59 7.560 -13.205 8.038 1.00 51.21 H new ATOM 0 HB3 GLU A 59 8.454 -14.441 8.901 1.00 51.21 H new ATOM 0 HG2 GLU A 59 8.335 -13.058 10.985 1.00 0.33 H new ATOM 0 HG3 GLU A 59 7.417 -11.843 10.118 1.00 0.33 H new ATOM 948 N GLY A 60 10.479 -12.280 6.273 1.00 33.44 N ATOM 949 CA GLY A 60 10.934 -12.581 4.925 1.00 41.53 C ATOM 950 C GLY A 60 10.205 -11.761 3.861 1.00 53.11 C ATOM 951 O GLY A 60 10.769 -11.531 2.787 1.00 71.21 O ATOM 0 H GLY A 60 10.348 -11.279 6.418 1.00 33.44 H new ATOM 0 HA2 GLY A 60 12.005 -12.389 4.856 1.00 41.53 H new ATOM 0 HA3 GLY A 60 10.787 -13.642 4.724 1.00 41.53 H new ATOM 955 N VAL A 61 8.991 -11.266 4.134 1.00 20.43 N ATOM 956 CA VAL A 61 8.258 -10.438 3.191 1.00 22.12 C ATOM 957 C VAL A 61 8.765 -9.009 3.276 1.00 21.23 C ATOM 958 O VAL A 61 8.448 -8.287 4.210 1.00 51.03 O ATOM 959 CB VAL A 61 6.744 -10.638 3.260 1.00 4.21 C ATOM 960 CG1 VAL A 61 5.995 -10.047 4.426 1.00 13.55 C ATOM 961 CG2 VAL A 61 6.098 -10.273 1.919 1.00 54.43 C ATOM 0 H VAL A 61 8.499 -11.432 5.012 1.00 20.43 H new ATOM 0 HA VAL A 61 8.465 -10.765 2.172 1.00 22.12 H new ATOM 0 HB VAL A 61 6.644 -11.704 3.465 1.00 4.21 H new ATOM 0 HG11 VAL A 61 4.934 -10.275 4.330 1.00 13.55 H new ATOM 0 HG12 VAL A 61 6.375 -10.472 5.355 1.00 13.55 H new ATOM 0 HG13 VAL A 61 6.134 -8.966 4.438 1.00 13.55 H new ATOM 0 HG21 VAL A 61 5.020 -10.420 1.982 1.00 54.43 H new ATOM 0 HG22 VAL A 61 6.309 -9.229 1.686 1.00 54.43 H new ATOM 0 HG23 VAL A 61 6.505 -10.910 1.134 1.00 54.43 H new ATOM 971 N ARG A 62 9.618 -8.623 2.324 1.00 24.32 N ATOM 972 CA ARG A 62 10.210 -7.285 2.225 1.00 64.03 C ATOM 973 C ARG A 62 9.112 -6.235 2.429 1.00 2.20 C ATOM 974 O ARG A 62 9.216 -5.373 3.292 1.00 72.35 O ATOM 975 CB ARG A 62 10.822 -7.119 0.821 1.00 32.31 C ATOM 976 CG ARG A 62 11.877 -8.166 0.441 1.00 72.22 C ATOM 977 CD ARG A 62 11.629 -8.938 -0.870 1.00 33.41 C ATOM 978 NE ARG A 62 10.283 -9.543 -0.998 1.00 51.02 N ATOM 979 CZ ARG A 62 9.933 -10.511 -1.863 1.00 52.44 C ATOM 980 NH1 ARG A 62 10.814 -11.202 -2.569 1.00 70.21 N ATOM 981 NH2 ARG A 62 8.653 -10.787 -2.082 1.00 41.33 N ATOM 0 H ARG A 62 9.925 -9.249 1.580 1.00 24.32 H new ATOM 0 HA ARG A 62 10.982 -7.157 2.984 1.00 64.03 H new ATOM 0 HB2 ARG A 62 10.018 -7.153 0.085 1.00 32.31 H new ATOM 0 HB3 ARG A 62 11.274 -6.130 0.754 1.00 32.31 H new ATOM 0 HG2 ARG A 62 12.843 -7.667 0.367 1.00 72.22 H new ATOM 0 HG3 ARG A 62 11.952 -8.888 1.254 1.00 72.22 H new ATOM 0 HD2 ARG A 62 11.787 -8.259 -1.708 1.00 33.41 H new ATOM 0 HD3 ARG A 62 12.375 -9.728 -0.955 1.00 33.41 H new ATOM 0 HE ARG A 62 9.556 -9.194 -0.374 1.00 51.02 H new ATOM 0 HH11 ARG A 62 11.811 -11.010 -2.470 1.00 70.21 H new ATOM 0 HH12 ARG A 62 10.496 -11.927 -3.212 1.00 70.21 H new ATOM 0 HH21 ARG A 62 7.927 -10.263 -1.593 1.00 41.33 H new ATOM 0 HH22 ARG A 62 8.395 -11.523 -2.740 1.00 41.33 H new ATOM 995 N CYS A 63 7.997 -6.382 1.708 1.00 4.45 N ATOM 996 CA CYS A 63 6.865 -5.462 1.771 1.00 35.12 C ATOM 997 C CYS A 63 7.265 -4.023 1.413 1.00 44.34 C ATOM 998 O CYS A 63 8.418 -3.737 1.093 1.00 21.53 O ATOM 999 CB CYS A 63 6.185 -5.613 3.142 1.00 13.30 C ATOM 1000 SG CYS A 63 5.090 -7.026 3.083 1.00 32.45 S ATOM 0 H CYS A 63 7.856 -7.154 1.057 1.00 4.45 H new ATOM 0 HA CYS A 63 6.130 -5.720 1.009 1.00 35.12 H new ATOM 0 HB2 CYS A 63 6.934 -5.747 3.923 1.00 13.30 H new ATOM 0 HB3 CYS A 63 5.625 -4.711 3.388 1.00 13.30 H new ATOM 0 HG CYS A 63 4.507 -7.171 4.236 1.00 32.45 H new ATOM 1006 N LEU A 64 6.281 -3.131 1.347 1.00 43.54 N ATOM 1007 CA LEU A 64 6.468 -1.720 1.044 1.00 22.21 C ATOM 1008 C LEU A 64 5.399 -0.997 1.846 1.00 2.31 C ATOM 1009 O LEU A 64 4.210 -1.272 1.660 1.00 72.43 O ATOM 1010 CB LEU A 64 6.308 -1.486 -0.467 1.00 33.21 C ATOM 1011 CG LEU A 64 6.318 -0.007 -0.899 1.00 22.01 C ATOM 1012 CD1 LEU A 64 7.578 0.727 -0.441 1.00 43.20 C ATOM 1013 CD2 LEU A 64 6.220 0.051 -2.426 1.00 61.40 C ATOM 0 H LEU A 64 5.305 -3.379 1.508 1.00 43.54 H new ATOM 0 HA LEU A 64 7.462 -1.357 1.306 1.00 22.21 H new ATOM 0 HB2 LEU A 64 7.112 -2.007 -0.988 1.00 33.21 H new ATOM 0 HB3 LEU A 64 5.371 -1.938 -0.793 1.00 33.21 H new ATOM 0 HG LEU A 64 5.469 0.490 -0.429 1.00 22.01 H new ATOM 0 HD11 LEU A 64 7.535 1.765 -0.771 1.00 43.20 H new ATOM 0 HD12 LEU A 64 7.643 0.695 0.647 1.00 43.20 H new ATOM 0 HD13 LEU A 64 8.456 0.246 -0.871 1.00 43.20 H new ATOM 0 HD21 LEU A 64 6.226 1.091 -2.752 1.00 61.40 H new ATOM 0 HD22 LEU A 64 7.070 -0.471 -2.865 1.00 61.40 H new ATOM 0 HD23 LEU A 64 5.295 -0.426 -2.750 1.00 61.40 H new ATOM 1025 N ALA A 65 5.820 -0.162 2.792 1.00 2.50 N ATOM 1026 CA ALA A 65 4.935 0.722 3.531 1.00 23.35 C ATOM 1027 C ALA A 65 4.544 1.878 2.622 1.00 43.55 C ATOM 1028 O ALA A 65 5.414 2.410 1.930 1.00 13.15 O ATOM 1029 CB ALA A 65 5.686 1.254 4.751 1.00 63.04 C ATOM 0 H ALA A 65 6.799 -0.082 3.068 1.00 2.50 H new ATOM 0 HA ALA A 65 4.040 0.192 3.857 1.00 23.35 H new ATOM 0 HB1 ALA A 65 5.035 1.920 5.317 1.00 63.04 H new ATOM 0 HB2 ALA A 65 5.990 0.420 5.383 1.00 63.04 H new ATOM 0 HB3 ALA A 65 6.570 1.802 4.424 1.00 63.04 H new ATOM 1035 N VAL A 66 3.275 2.279 2.647 1.00 71.04 N ATOM 1036 CA VAL A 66 2.746 3.364 1.836 1.00 62.53 C ATOM 1037 C VAL A 66 1.867 4.196 2.766 1.00 71.35 C ATOM 1038 O VAL A 66 0.719 3.848 3.044 1.00 61.41 O ATOM 1039 CB VAL A 66 2.011 2.853 0.588 1.00 1.21 C ATOM 1040 CG1 VAL A 66 1.852 3.994 -0.423 1.00 55.34 C ATOM 1041 CG2 VAL A 66 2.745 1.692 -0.085 1.00 31.41 C ATOM 0 H VAL A 66 2.573 1.846 3.247 1.00 71.04 H new ATOM 0 HA VAL A 66 3.545 3.982 1.426 1.00 62.53 H new ATOM 0 HB VAL A 66 1.037 2.490 0.915 1.00 1.21 H new ATOM 0 HG11 VAL A 66 1.330 3.627 -1.307 1.00 55.34 H new ATOM 0 HG12 VAL A 66 1.277 4.803 0.028 1.00 55.34 H new ATOM 0 HG13 VAL A 66 2.836 4.365 -0.711 1.00 55.34 H new ATOM 0 HG21 VAL A 66 2.185 1.367 -0.962 1.00 31.41 H new ATOM 0 HG22 VAL A 66 3.739 2.018 -0.390 1.00 31.41 H new ATOM 0 HG23 VAL A 66 2.834 0.862 0.616 1.00 31.41 H new ATOM 1051 N ASP A 67 2.445 5.252 3.318 1.00 1.14 N ATOM 1052 CA ASP A 67 1.741 6.196 4.184 1.00 23.00 C ATOM 1053 C ASP A 67 0.744 6.989 3.337 1.00 51.00 C ATOM 1054 O ASP A 67 1.068 7.394 2.213 1.00 13.22 O ATOM 1055 CB ASP A 67 2.736 7.131 4.871 1.00 15.21 C ATOM 1056 CG ASP A 67 2.067 7.884 6.015 1.00 41.42 C ATOM 1057 OD1 ASP A 67 1.297 8.819 5.712 1.00 65.41 O ATOM 1058 OD2 ASP A 67 2.355 7.563 7.193 1.00 34.13 O ATOM 0 H ASP A 67 3.428 5.484 3.178 1.00 1.14 H new ATOM 0 HA ASP A 67 1.204 5.655 4.963 1.00 23.00 H new ATOM 0 HB2 ASP A 67 3.580 6.556 5.252 1.00 15.21 H new ATOM 0 HB3 ASP A 67 3.135 7.841 4.146 1.00 15.21 H new ATOM 1063 N LEU A 68 -0.477 7.195 3.833 1.00 13.11 N ATOM 1064 CA LEU A 68 -1.563 7.837 3.091 1.00 43.10 C ATOM 1065 C LEU A 68 -1.335 9.338 2.874 1.00 0.15 C ATOM 1066 O LEU A 68 -1.987 9.947 2.030 1.00 63.40 O ATOM 1067 CB LEU A 68 -2.924 7.570 3.750 1.00 54.41 C ATOM 1068 CG LEU A 68 -3.812 6.628 2.922 1.00 23.31 C ATOM 1069 CD1 LEU A 68 -5.045 6.256 3.742 1.00 12.21 C ATOM 1070 CD2 LEU A 68 -4.262 7.232 1.586 1.00 34.23 C ATOM 0 H LEU A 68 -0.743 6.916 4.777 1.00 13.11 H new ATOM 0 HA LEU A 68 -1.568 7.381 2.101 1.00 43.10 H new ATOM 0 HB2 LEU A 68 -2.766 7.138 4.738 1.00 54.41 H new ATOM 0 HB3 LEU A 68 -3.444 8.517 3.896 1.00 54.41 H new ATOM 0 HG LEU A 68 -3.210 5.750 2.686 1.00 23.31 H new ATOM 0 HD11 LEU A 68 -5.680 5.587 3.161 1.00 12.21 H new ATOM 0 HD12 LEU A 68 -4.735 5.755 4.659 1.00 12.21 H new ATOM 0 HD13 LEU A 68 -5.602 7.159 3.992 1.00 12.21 H new ATOM 0 HD21 LEU A 68 -4.885 6.514 1.053 1.00 34.23 H new ATOM 0 HD22 LEU A 68 -4.834 8.141 1.772 1.00 34.23 H new ATOM 0 HD23 LEU A 68 -3.387 7.471 0.982 1.00 34.23 H new ATOM 1082 N LYS A 69 -0.370 9.949 3.568 1.00 14.43 N ATOM 1083 CA LYS A 69 -0.033 11.366 3.384 1.00 25.51 C ATOM 1084 C LYS A 69 0.414 11.633 1.944 1.00 73.32 C ATOM 1085 O LYS A 69 0.186 12.728 1.433 1.00 23.14 O ATOM 1086 CB LYS A 69 1.049 11.758 4.404 1.00 22.13 C ATOM 1087 CG LYS A 69 1.108 13.238 4.812 1.00 75.25 C ATOM 1088 CD LYS A 69 1.621 14.243 3.766 1.00 22.02 C ATOM 1089 CE LYS A 69 0.478 15.086 3.203 1.00 71.33 C ATOM 1090 NZ LYS A 69 -0.026 16.111 4.138 1.00 42.22 N ATOM 0 H LYS A 69 0.199 9.478 4.272 1.00 14.43 H new ATOM 0 HA LYS A 69 -0.915 11.983 3.559 1.00 25.51 H new ATOM 0 HB2 LYS A 69 0.900 11.162 5.305 1.00 22.13 H new ATOM 0 HB3 LYS A 69 2.020 11.479 3.995 1.00 22.13 H new ATOM 0 HG2 LYS A 69 0.106 13.545 5.110 1.00 75.25 H new ATOM 0 HG3 LYS A 69 1.742 13.319 5.695 1.00 75.25 H new ATOM 0 HD2 LYS A 69 2.368 14.895 4.220 1.00 22.02 H new ATOM 0 HD3 LYS A 69 2.115 13.708 2.955 1.00 22.02 H new ATOM 0 HE2 LYS A 69 0.817 15.576 2.290 1.00 71.33 H new ATOM 0 HE3 LYS A 69 -0.344 14.426 2.925 1.00 71.33 H new ATOM 0 HZ1 LYS A 69 -0.775 16.664 3.676 1.00 42.22 H new ATOM 0 HZ2 LYS A 69 -0.411 15.648 4.986 1.00 42.22 H new ATOM 0 HZ3 LYS A 69 0.753 16.744 4.412 1.00 42.22 H new ATOM 1104 N LEU A 70 1.030 10.661 1.262 1.00 74.43 N ATOM 1105 CA LEU A 70 1.352 10.822 -0.157 1.00 50.12 C ATOM 1106 C LEU A 70 0.086 11.118 -0.974 1.00 61.23 C ATOM 1107 O LEU A 70 0.142 11.969 -1.848 1.00 42.32 O ATOM 1108 CB LEU A 70 2.153 9.632 -0.714 1.00 20.54 C ATOM 1109 CG LEU A 70 2.278 9.614 -2.255 1.00 43.34 C ATOM 1110 CD1 LEU A 70 3.221 10.712 -2.758 1.00 31.20 C ATOM 1111 CD2 LEU A 70 2.839 8.262 -2.686 1.00 62.30 C ATOM 0 H LEU A 70 1.312 9.767 1.664 1.00 74.43 H new ATOM 0 HA LEU A 70 2.008 11.687 -0.251 1.00 50.12 H new ATOM 0 HB2 LEU A 70 3.153 9.647 -0.280 1.00 20.54 H new ATOM 0 HB3 LEU A 70 1.679 8.706 -0.389 1.00 20.54 H new ATOM 0 HG LEU A 70 1.289 9.787 -2.678 1.00 43.34 H new ATOM 0 HD11 LEU A 70 3.284 10.668 -3.845 1.00 31.20 H new ATOM 0 HD12 LEU A 70 2.838 11.687 -2.456 1.00 31.20 H new ATOM 0 HD13 LEU A 70 4.213 10.563 -2.331 1.00 31.20 H new ATOM 0 HD21 LEU A 70 2.932 8.236 -3.772 1.00 62.30 H new ATOM 0 HD22 LEU A 70 3.820 8.114 -2.234 1.00 62.30 H new ATOM 0 HD23 LEU A 70 2.166 7.468 -2.361 1.00 62.30 H new ATOM 1123 N LYS A 71 -1.059 10.495 -0.696 1.00 73.55 N ATOM 1124 CA LYS A 71 -2.292 10.666 -1.475 1.00 54.13 C ATOM 1125 C LYS A 71 -2.785 12.115 -1.421 1.00 71.11 C ATOM 1126 O LYS A 71 -3.301 12.613 -2.418 1.00 41.44 O ATOM 1127 CB LYS A 71 -3.341 9.681 -0.936 1.00 62.22 C ATOM 1128 CG LYS A 71 -4.700 9.635 -1.663 1.00 13.35 C ATOM 1129 CD LYS A 71 -4.932 8.284 -2.351 1.00 32.20 C ATOM 1130 CE LYS A 71 -6.399 7.978 -2.671 1.00 13.34 C ATOM 1131 NZ LYS A 71 -7.012 8.934 -3.608 1.00 53.12 N ATOM 0 H LYS A 71 -1.161 9.848 0.086 1.00 73.55 H new ATOM 0 HA LYS A 71 -2.103 10.450 -2.526 1.00 54.13 H new ATOM 0 HB2 LYS A 71 -2.910 8.680 -0.961 1.00 62.22 H new ATOM 0 HB3 LYS A 71 -3.525 9.922 0.111 1.00 62.22 H new ATOM 0 HG2 LYS A 71 -5.501 9.821 -0.948 1.00 13.35 H new ATOM 0 HG3 LYS A 71 -4.743 10.433 -2.405 1.00 13.35 H new ATOM 0 HD2 LYS A 71 -4.358 8.259 -3.277 1.00 32.20 H new ATOM 0 HD3 LYS A 71 -4.540 7.493 -1.712 1.00 32.20 H new ATOM 0 HE2 LYS A 71 -6.468 6.975 -3.092 1.00 13.34 H new ATOM 0 HE3 LYS A 71 -6.971 7.975 -1.743 1.00 13.34 H new ATOM 0 HZ1 LYS A 71 -8.002 8.666 -3.779 1.00 53.12 H new ATOM 0 HZ2 LYS A 71 -6.977 9.890 -3.201 1.00 53.12 H new ATOM 0 HZ3 LYS A 71 -6.490 8.922 -4.507 1.00 53.12 H new ATOM 1145 N ASP A 72 -2.584 12.815 -0.302 1.00 63.44 N ATOM 1146 CA ASP A 72 -2.907 14.238 -0.146 1.00 61.45 C ATOM 1147 C ASP A 72 -2.149 15.073 -1.178 1.00 31.44 C ATOM 1148 O ASP A 72 -2.713 15.987 -1.776 1.00 31.11 O ATOM 1149 CB ASP A 72 -2.523 14.688 1.265 1.00 31.43 C ATOM 1150 CG ASP A 72 -2.818 16.152 1.619 1.00 62.31 C ATOM 1151 OD1 ASP A 72 -3.747 16.791 1.084 1.00 12.30 O ATOM 1152 OD2 ASP A 72 -2.066 16.713 2.450 1.00 72.11 O ATOM 0 H ASP A 72 -2.184 12.401 0.540 1.00 63.44 H new ATOM 0 HA ASP A 72 -3.976 14.381 -0.302 1.00 61.45 H new ATOM 0 HB2 ASP A 72 -3.045 14.052 1.980 1.00 31.43 H new ATOM 0 HB3 ASP A 72 -1.456 14.512 1.401 1.00 31.43 H new ATOM 1157 N THR A 73 -0.888 14.731 -1.444 1.00 4.23 N ATOM 1158 CA THR A 73 -0.026 15.510 -2.328 1.00 72.42 C ATOM 1159 C THR A 73 0.006 14.975 -3.772 1.00 52.42 C ATOM 1160 O THR A 73 0.132 15.781 -4.695 1.00 13.12 O ATOM 1161 CB THR A 73 1.349 15.664 -1.655 1.00 71.15 C ATOM 1162 OG1 THR A 73 2.093 16.740 -2.197 1.00 74.31 O ATOM 1163 CG2 THR A 73 2.232 14.421 -1.628 1.00 21.12 C ATOM 0 H THR A 73 -0.437 13.905 -1.051 1.00 4.23 H new ATOM 0 HA THR A 73 -0.441 16.509 -2.463 1.00 72.42 H new ATOM 0 HB THR A 73 1.077 15.865 -0.619 1.00 71.15 H new ATOM 0 HG1 THR A 73 2.958 16.803 -1.740 1.00 74.31 H new ATOM 0 HG21 THR A 73 3.173 14.654 -1.129 1.00 21.12 H new ATOM 0 HG22 THR A 73 1.722 13.624 -1.087 1.00 21.12 H new ATOM 0 HG23 THR A 73 2.433 14.096 -2.649 1.00 21.12 H new ATOM 1171 N ASN A 74 -0.112 13.662 -3.982 1.00 40.21 N ATOM 1172 CA ASN A 74 -0.117 12.983 -5.275 1.00 25.23 C ATOM 1173 C ASN A 74 -1.039 11.758 -5.184 1.00 43.32 C ATOM 1174 O ASN A 74 -0.570 10.646 -4.918 1.00 20.31 O ATOM 1175 CB ASN A 74 1.301 12.557 -5.700 1.00 3.35 C ATOM 1176 CG ASN A 74 1.295 11.870 -7.068 1.00 2.15 C ATOM 1177 OD1 ASN A 74 0.286 11.829 -7.765 1.00 2.23 O ATOM 1178 ND2 ASN A 74 2.407 11.294 -7.492 1.00 4.41 N ATOM 0 H ASN A 74 -0.212 13.007 -3.206 1.00 40.21 H new ATOM 0 HA ASN A 74 -0.484 13.674 -6.034 1.00 25.23 H new ATOM 0 HB2 ASN A 74 1.950 13.432 -5.734 1.00 3.35 H new ATOM 0 HB3 ASN A 74 1.718 11.880 -4.954 1.00 3.35 H new ATOM 0 HD21 ASN A 74 2.423 10.819 -8.394 1.00 4.41 H new ATOM 0 HD22 ASN A 74 3.249 11.325 -6.917 1.00 4.41 H new ATOM 1185 N PRO A 75 -2.356 11.921 -5.387 1.00 4.12 N ATOM 1186 CA PRO A 75 -3.296 10.814 -5.299 1.00 0.12 C ATOM 1187 C PRO A 75 -3.113 9.846 -6.471 1.00 24.10 C ATOM 1188 O PRO A 75 -3.289 8.646 -6.295 1.00 45.25 O ATOM 1189 CB PRO A 75 -4.686 11.461 -5.297 1.00 14.34 C ATOM 1190 CG PRO A 75 -4.474 12.763 -6.066 1.00 65.24 C ATOM 1191 CD PRO A 75 -3.038 13.158 -5.722 1.00 51.13 C ATOM 0 HA PRO A 75 -3.143 10.215 -4.402 1.00 0.12 H new ATOM 0 HB2 PRO A 75 -5.426 10.824 -5.782 1.00 14.34 H new ATOM 0 HB3 PRO A 75 -5.041 11.647 -4.283 1.00 14.34 H new ATOM 0 HG2 PRO A 75 -4.604 12.620 -7.139 1.00 65.24 H new ATOM 0 HG3 PRO A 75 -5.185 13.530 -5.758 1.00 65.24 H new ATOM 0 HD2 PRO A 75 -2.556 13.654 -6.565 1.00 51.13 H new ATOM 0 HD3 PRO A 75 -3.014 13.856 -4.885 1.00 51.13 H new ATOM 1199 N GLU A 76 -2.733 10.349 -7.646 1.00 64.14 N ATOM 1200 CA GLU A 76 -2.540 9.601 -8.883 1.00 2.33 C ATOM 1201 C GLU A 76 -1.443 8.553 -8.711 1.00 73.32 C ATOM 1202 O GLU A 76 -1.641 7.380 -9.032 1.00 60.14 O ATOM 1203 CB GLU A 76 -2.150 10.630 -9.960 1.00 22.31 C ATOM 1204 CG GLU A 76 -2.146 10.059 -11.381 1.00 54.42 C ATOM 1205 CD GLU A 76 -1.766 11.102 -12.447 1.00 65.14 C ATOM 1206 OE1 GLU A 76 -0.962 12.025 -12.184 1.00 14.13 O ATOM 1207 OE2 GLU A 76 -2.212 10.932 -13.610 1.00 73.20 O ATOM 0 H GLU A 76 -2.542 11.344 -7.764 1.00 64.14 H new ATOM 0 HA GLU A 76 -3.447 9.066 -9.165 1.00 2.33 H new ATOM 0 HB2 GLU A 76 -2.844 11.469 -9.917 1.00 22.31 H new ATOM 0 HB3 GLU A 76 -1.159 11.023 -9.733 1.00 22.31 H new ATOM 0 HG2 GLU A 76 -1.445 9.226 -11.430 1.00 54.42 H new ATOM 0 HG3 GLU A 76 -3.134 9.658 -11.608 1.00 54.42 H new ATOM 1214 N GLY A 77 -0.295 8.965 -8.168 1.00 34.45 N ATOM 1215 CA GLY A 77 0.809 8.067 -7.894 1.00 51.41 C ATOM 1216 C GLY A 77 0.369 6.953 -6.952 1.00 73.24 C ATOM 1217 O GLY A 77 0.657 5.785 -7.216 1.00 74.31 O ATOM 0 H GLY A 77 -0.113 9.935 -7.909 1.00 34.45 H new ATOM 0 HA2 GLY A 77 1.177 7.639 -8.826 1.00 51.41 H new ATOM 0 HA3 GLY A 77 1.635 8.622 -7.450 1.00 51.41 H new ATOM 1221 N PHE A 78 -0.315 7.295 -5.860 1.00 24.23 N ATOM 1222 CA PHE A 78 -0.795 6.311 -4.897 1.00 61.24 C ATOM 1223 C PHE A 78 -1.778 5.340 -5.544 1.00 23.42 C ATOM 1224 O PHE A 78 -1.622 4.129 -5.406 1.00 21.03 O ATOM 1225 CB PHE A 78 -1.424 7.034 -3.708 1.00 73.21 C ATOM 1226 CG PHE A 78 -1.927 6.078 -2.648 1.00 12.31 C ATOM 1227 CD1 PHE A 78 -1.067 5.660 -1.621 1.00 15.15 C ATOM 1228 CD2 PHE A 78 -3.249 5.603 -2.689 1.00 43.12 C ATOM 1229 CE1 PHE A 78 -1.552 4.853 -0.576 1.00 51.02 C ATOM 1230 CE2 PHE A 78 -3.737 4.802 -1.646 1.00 42.20 C ATOM 1231 CZ PHE A 78 -2.892 4.439 -0.585 1.00 1.23 C ATOM 0 H PHE A 78 -0.550 8.258 -5.621 1.00 24.23 H new ATOM 0 HA PHE A 78 0.048 5.718 -4.542 1.00 61.24 H new ATOM 0 HB2 PHE A 78 -0.689 7.707 -3.266 1.00 73.21 H new ATOM 0 HB3 PHE A 78 -2.252 7.651 -4.058 1.00 73.21 H new ATOM 0 HD1 PHE A 78 -0.029 5.959 -1.633 1.00 15.15 H new ATOM 0 HD2 PHE A 78 -3.888 5.854 -3.522 1.00 43.12 H new ATOM 0 HE1 PHE A 78 -0.896 4.554 0.228 1.00 51.02 H new ATOM 0 HE2 PHE A 78 -4.763 4.464 -1.659 1.00 42.20 H new ATOM 0 HZ PHE A 78 -3.275 3.839 0.227 1.00 1.23 H new ATOM 1241 N ASN A 79 -2.751 5.867 -6.284 1.00 31.54 N ATOM 1242 CA ASN A 79 -3.778 5.115 -6.992 1.00 60.31 C ATOM 1243 C ASN A 79 -3.110 4.051 -7.870 1.00 24.31 C ATOM 1244 O ASN A 79 -3.381 2.862 -7.722 1.00 22.01 O ATOM 1245 CB ASN A 79 -4.632 6.092 -7.819 1.00 65.30 C ATOM 1246 CG ASN A 79 -5.658 6.903 -7.035 1.00 5.23 C ATOM 1247 OD1 ASN A 79 -5.913 6.703 -5.846 1.00 41.02 O ATOM 1248 ND2 ASN A 79 -6.279 7.859 -7.702 1.00 41.01 N ATOM 0 H ASN A 79 -2.847 6.875 -6.410 1.00 31.54 H new ATOM 0 HA ASN A 79 -4.436 4.602 -6.291 1.00 60.31 H new ATOM 0 HB2 ASN A 79 -3.964 6.784 -8.332 1.00 65.30 H new ATOM 0 HB3 ASN A 79 -5.156 5.525 -8.589 1.00 65.30 H new ATOM 0 HD21 ASN A 79 -6.975 8.438 -7.233 1.00 41.01 H new ATOM 0 HD22 ASN A 79 -6.062 8.018 -8.686 1.00 41.01 H new ATOM 1255 N GLN A 80 -2.162 4.441 -8.729 1.00 54.45 N ATOM 1256 CA GLN A 80 -1.434 3.483 -9.561 1.00 14.33 C ATOM 1257 C GLN A 80 -0.606 2.472 -8.759 1.00 51.22 C ATOM 1258 O GLN A 80 -0.386 1.354 -9.232 1.00 33.22 O ATOM 1259 CB GLN A 80 -0.507 4.234 -10.517 1.00 52.23 C ATOM 1260 CG GLN A 80 -1.256 4.798 -11.732 1.00 10.32 C ATOM 1261 CD GLN A 80 -0.469 4.482 -12.997 1.00 5.43 C ATOM 1262 OE1 GLN A 80 -0.380 3.333 -13.413 1.00 5.05 O ATOM 1263 NE2 GLN A 80 0.210 5.449 -13.585 1.00 22.22 N ATOM 0 H GLN A 80 -1.883 5.413 -8.865 1.00 54.45 H new ATOM 0 HA GLN A 80 -2.190 2.916 -10.104 1.00 14.33 H new ATOM 0 HB2 GLN A 80 -0.021 5.050 -9.982 1.00 52.23 H new ATOM 0 HB3 GLN A 80 0.281 3.562 -10.858 1.00 52.23 H new ATOM 0 HG2 GLN A 80 -2.254 4.364 -11.792 1.00 10.32 H new ATOM 0 HG3 GLN A 80 -1.383 5.876 -11.628 1.00 10.32 H new ATOM 0 HE21 GLN A 80 0.137 6.406 -13.240 1.00 22.22 H new ATOM 0 HE22 GLN A 80 0.808 5.239 -14.384 1.00 22.22 H new ATOM 1272 N LEU A 81 -0.124 2.844 -7.570 1.00 75.25 N ATOM 1273 CA LEU A 81 0.629 1.934 -6.715 1.00 11.01 C ATOM 1274 C LEU A 81 -0.268 0.801 -6.238 1.00 22.11 C ATOM 1275 O LEU A 81 0.146 -0.356 -6.190 1.00 41.41 O ATOM 1276 CB LEU A 81 1.191 2.674 -5.491 1.00 54.42 C ATOM 1277 CG LEU A 81 2.489 2.002 -5.004 1.00 1.05 C ATOM 1278 CD1 LEU A 81 3.665 2.940 -4.740 1.00 71.01 C ATOM 1279 CD2 LEU A 81 2.247 1.211 -3.725 1.00 62.25 C ATOM 0 H LEU A 81 -0.246 3.778 -7.179 1.00 75.25 H new ATOM 0 HA LEU A 81 1.456 1.531 -7.300 1.00 11.01 H new ATOM 0 HB2 LEU A 81 1.387 3.715 -5.747 1.00 54.42 H new ATOM 0 HB3 LEU A 81 0.453 2.676 -4.689 1.00 54.42 H new ATOM 0 HG LEU A 81 2.767 1.363 -5.842 1.00 1.05 H new ATOM 0 HD11 LEU A 81 4.524 2.360 -4.402 1.00 71.01 H new ATOM 0 HD12 LEU A 81 3.922 3.468 -5.658 1.00 71.01 H new ATOM 0 HD13 LEU A 81 3.389 3.662 -3.971 1.00 71.01 H new ATOM 0 HD21 LEU A 81 3.179 0.747 -3.403 1.00 62.25 H new ATOM 0 HD22 LEU A 81 1.887 1.882 -2.945 1.00 62.25 H new ATOM 0 HD23 LEU A 81 1.502 0.438 -3.911 1.00 62.25 H new ATOM 1291 N MET A 82 -1.500 1.146 -5.875 1.00 13.12 N ATOM 1292 CA MET A 82 -2.492 0.163 -5.469 1.00 71.31 C ATOM 1293 C MET A 82 -2.803 -0.823 -6.598 1.00 11.44 C ATOM 1294 O MET A 82 -3.021 -2.007 -6.330 1.00 45.34 O ATOM 1295 CB MET A 82 -3.780 0.837 -4.993 1.00 41.35 C ATOM 1296 CG MET A 82 -3.531 1.657 -3.722 1.00 62.13 C ATOM 1297 SD MET A 82 -4.976 1.837 -2.656 1.00 25.33 S ATOM 1298 CE MET A 82 -4.995 0.193 -1.903 1.00 32.31 C ATOM 0 H MET A 82 -1.835 2.109 -5.855 1.00 13.12 H new ATOM 0 HA MET A 82 -2.063 -0.395 -4.636 1.00 71.31 H new ATOM 0 HB2 MET A 82 -4.168 1.485 -5.779 1.00 41.35 H new ATOM 0 HB3 MET A 82 -4.541 0.081 -4.799 1.00 41.35 H new ATOM 0 HG2 MET A 82 -2.730 1.186 -3.152 1.00 62.13 H new ATOM 0 HG3 MET A 82 -3.179 2.648 -4.007 1.00 62.13 H new ATOM 0 HE1 MET A 82 -5.775 0.150 -1.143 1.00 32.31 H new ATOM 0 HE2 MET A 82 -5.193 -0.556 -2.670 1.00 32.31 H new ATOM 0 HE3 MET A 82 -4.028 -0.007 -1.442 1.00 32.31 H new ATOM 1308 N HIS A 83 -2.794 -0.369 -7.855 1.00 32.15 N ATOM 1309 CA HIS A 83 -2.958 -1.259 -8.994 1.00 74.43 C ATOM 1310 C HIS A 83 -1.783 -2.231 -9.089 1.00 34.52 C ATOM 1311 O HIS A 83 -2.022 -3.427 -9.218 1.00 52.21 O ATOM 1312 CB HIS A 83 -3.133 -0.461 -10.290 1.00 44.03 C ATOM 1313 CG HIS A 83 -3.634 -1.270 -11.470 1.00 12.15 C ATOM 1314 ND1 HIS A 83 -3.350 -1.026 -12.794 1.00 52.34 N ATOM 1315 CD2 HIS A 83 -4.481 -2.346 -11.432 1.00 44.05 C ATOM 1316 CE1 HIS A 83 -4.042 -1.902 -13.540 1.00 50.44 C ATOM 1317 NE2 HIS A 83 -4.766 -2.715 -12.753 1.00 60.43 N ATOM 0 H HIS A 83 -2.674 0.613 -8.103 1.00 32.15 H new ATOM 0 HA HIS A 83 -3.865 -1.846 -8.846 1.00 74.43 H new ATOM 0 HB2 HIS A 83 -3.830 0.357 -10.106 1.00 44.03 H new ATOM 0 HB3 HIS A 83 -2.176 -0.011 -10.555 1.00 44.03 H new ATOM 0 HD2 HIS A 83 -4.861 -2.825 -10.542 1.00 44.05 H new ATOM 0 HE1 HIS A 83 -4.020 -1.947 -14.619 1.00 50.44 H new ATOM 0 HE2 HIS A 83 -5.399 -3.455 -13.057 1.00 60.43 H new ATOM 1325 N PHE A 84 -0.538 -1.746 -8.968 1.00 61.43 N ATOM 1326 CA PHE A 84 0.684 -2.551 -9.097 1.00 25.14 C ATOM 1327 C PHE A 84 0.634 -3.792 -8.201 1.00 52.42 C ATOM 1328 O PHE A 84 1.142 -4.852 -8.576 1.00 11.34 O ATOM 1329 CB PHE A 84 1.927 -1.701 -8.761 1.00 3.22 C ATOM 1330 CG PHE A 84 3.250 -2.455 -8.727 1.00 73.20 C ATOM 1331 CD1 PHE A 84 3.585 -3.243 -7.607 1.00 33.25 C ATOM 1332 CD2 PHE A 84 4.166 -2.341 -9.789 1.00 65.54 C ATOM 1333 CE1 PHE A 84 4.801 -3.944 -7.565 1.00 43.11 C ATOM 1334 CE2 PHE A 84 5.398 -3.022 -9.737 1.00 21.13 C ATOM 1335 CZ PHE A 84 5.709 -3.834 -8.631 1.00 62.04 C ATOM 0 H PHE A 84 -0.350 -0.763 -8.774 1.00 61.43 H new ATOM 0 HA PHE A 84 0.752 -2.886 -10.132 1.00 25.14 H new ATOM 0 HB2 PHE A 84 2.005 -0.899 -9.494 1.00 3.22 H new ATOM 0 HB3 PHE A 84 1.772 -1.231 -7.790 1.00 3.22 H new ATOM 0 HD1 PHE A 84 2.901 -3.308 -6.774 1.00 33.25 H new ATOM 0 HD2 PHE A 84 3.924 -1.730 -10.646 1.00 65.54 H new ATOM 0 HE1 PHE A 84 5.038 -4.566 -6.715 1.00 43.11 H new ATOM 0 HE2 PHE A 84 6.105 -2.921 -10.547 1.00 21.13 H new ATOM 0 HZ PHE A 84 6.645 -4.372 -8.602 1.00 62.04 H new ATOM 1345 N ALA A 85 0.040 -3.668 -7.012 1.00 2.14 N ATOM 1346 CA ALA A 85 -0.132 -4.786 -6.106 1.00 12.33 C ATOM 1347 C ALA A 85 -0.955 -5.884 -6.781 1.00 62.34 C ATOM 1348 O ALA A 85 -0.450 -6.970 -7.068 1.00 5.44 O ATOM 1349 CB ALA A 85 -0.779 -4.291 -4.812 1.00 23.40 C ATOM 0 H ALA A 85 -0.332 -2.787 -6.658 1.00 2.14 H new ATOM 0 HA ALA A 85 0.836 -5.219 -5.853 1.00 12.33 H new ATOM 0 HB1 ALA A 85 -0.910 -5.129 -4.127 1.00 23.40 H new ATOM 0 HB2 ALA A 85 -0.138 -3.541 -4.349 1.00 23.40 H new ATOM 0 HB3 ALA A 85 -1.750 -3.850 -5.036 1.00 23.40 H new ATOM 1355 N THR A 86 -2.226 -5.599 -7.027 1.00 23.13 N ATOM 1356 CA THR A 86 -3.202 -6.556 -7.510 1.00 74.12 C ATOM 1357 C THR A 86 -2.866 -7.021 -8.941 1.00 12.11 C ATOM 1358 O THR A 86 -3.118 -8.180 -9.276 1.00 32.13 O ATOM 1359 CB THR A 86 -4.579 -5.889 -7.351 1.00 62.21 C ATOM 1360 OG1 THR A 86 -4.687 -5.362 -6.035 1.00 24.32 O ATOM 1361 CG2 THR A 86 -5.731 -6.868 -7.534 1.00 33.21 C ATOM 0 H THR A 86 -2.615 -4.666 -6.891 1.00 23.13 H new ATOM 0 HA THR A 86 -3.197 -7.482 -6.935 1.00 74.12 H new ATOM 0 HB THR A 86 -4.648 -5.118 -8.118 1.00 62.21 H new ATOM 0 HG1 THR A 86 -5.561 -4.933 -5.925 1.00 24.32 H new ATOM 0 HG21 THR A 86 -6.678 -6.343 -7.411 1.00 33.21 H new ATOM 0 HG22 THR A 86 -5.684 -7.302 -8.533 1.00 33.21 H new ATOM 0 HG23 THR A 86 -5.657 -7.661 -6.790 1.00 33.21 H new ATOM 1369 N GLU A 87 -2.188 -6.188 -9.742 1.00 25.11 N ATOM 1370 CA GLU A 87 -1.582 -6.537 -11.026 1.00 74.22 C ATOM 1371 C GLU A 87 -0.735 -7.799 -10.856 1.00 54.43 C ATOM 1372 O GLU A 87 -0.954 -8.807 -11.523 1.00 61.21 O ATOM 1373 CB GLU A 87 -0.701 -5.366 -11.504 1.00 45.32 C ATOM 1374 CG GLU A 87 -1.438 -4.255 -12.258 1.00 42.12 C ATOM 1375 CD GLU A 87 -1.421 -4.492 -13.766 1.00 60.22 C ATOM 1376 OE1 GLU A 87 -1.996 -5.505 -14.224 1.00 4.31 O ATOM 1377 OE2 GLU A 87 -0.826 -3.683 -14.513 1.00 33.42 O ATOM 0 H GLU A 87 -2.043 -5.208 -9.498 1.00 25.11 H new ATOM 0 HA GLU A 87 -2.358 -6.726 -11.768 1.00 74.22 H new ATOM 0 HB2 GLU A 87 -0.207 -4.928 -10.637 1.00 45.32 H new ATOM 0 HB3 GLU A 87 0.082 -5.763 -12.150 1.00 45.32 H new ATOM 0 HG2 GLU A 87 -2.469 -4.200 -11.909 1.00 42.12 H new ATOM 0 HG3 GLU A 87 -0.975 -3.294 -12.035 1.00 42.12 H new ATOM 1384 N ASN A 88 0.200 -7.770 -9.909 1.00 1.25 N ATOM 1385 CA ASN A 88 1.139 -8.855 -9.636 1.00 12.13 C ATOM 1386 C ASN A 88 0.539 -9.882 -8.666 1.00 20.14 C ATOM 1387 O ASN A 88 1.262 -10.695 -8.089 1.00 3.21 O ATOM 1388 CB ASN A 88 2.458 -8.250 -9.139 1.00 21.02 C ATOM 1389 CG ASN A 88 3.137 -7.476 -10.255 1.00 52.13 C ATOM 1390 OD1 ASN A 88 3.786 -8.040 -11.130 1.00 32.40 O ATOM 1391 ND2 ASN A 88 2.971 -6.167 -10.287 1.00 12.15 N ATOM 0 H ASN A 88 0.329 -6.968 -9.293 1.00 1.25 H new ATOM 0 HA ASN A 88 1.346 -9.411 -10.550 1.00 12.13 H new ATOM 0 HB2 ASN A 88 2.267 -7.589 -8.293 1.00 21.02 H new ATOM 0 HB3 ASN A 88 3.117 -9.041 -8.783 1.00 21.02 H new ATOM 0 HD21 ASN A 88 3.383 -5.619 -11.042 1.00 12.15 H new ATOM 0 HD22 ASN A 88 2.430 -5.703 -9.557 1.00 12.15 H new ATOM 1398 N GLN A 89 -0.785 -9.842 -8.480 1.00 34.24 N ATOM 1399 CA GLN A 89 -1.578 -10.630 -7.544 1.00 55.15 C ATOM 1400 C GLN A 89 -0.986 -10.653 -6.130 1.00 44.42 C ATOM 1401 O GLN A 89 -0.985 -11.682 -5.439 1.00 4.31 O ATOM 1402 CB GLN A 89 -1.819 -12.046 -8.064 1.00 53.32 C ATOM 1403 CG GLN A 89 -2.358 -12.211 -9.485 1.00 25.34 C ATOM 1404 CD GLN A 89 -3.865 -11.989 -9.533 1.00 5.30 C ATOM 1405 OE1 GLN A 89 -4.636 -12.927 -9.319 1.00 25.04 O ATOM 1406 NE2 GLN A 89 -4.318 -10.771 -9.767 1.00 41.22 N ATOM 0 H GLN A 89 -1.370 -9.208 -9.024 1.00 34.24 H new ATOM 0 HA GLN A 89 -2.543 -10.128 -7.469 1.00 55.15 H new ATOM 0 HB2 GLN A 89 -0.876 -12.589 -8.000 1.00 53.32 H new ATOM 0 HB3 GLN A 89 -2.516 -12.536 -7.384 1.00 53.32 H new ATOM 0 HG2 GLN A 89 -1.862 -11.503 -10.149 1.00 25.34 H new ATOM 0 HG3 GLN A 89 -2.123 -13.210 -9.852 1.00 25.34 H new ATOM 0 HE21 GLN A 89 -3.664 -10.008 -9.942 1.00 41.22 H new ATOM 0 HE22 GLN A 89 -5.322 -10.593 -9.773 1.00 41.22 H new ATOM 1415 N LEU A 90 -0.434 -9.516 -5.720 1.00 1.34 N ATOM 1416 CA LEU A 90 0.059 -9.278 -4.379 1.00 11.45 C ATOM 1417 C LEU A 90 -1.137 -9.012 -3.473 1.00 23.33 C ATOM 1418 O LEU A 90 -2.182 -8.531 -3.932 1.00 73.14 O ATOM 1419 CB LEU A 90 1.038 -8.090 -4.395 1.00 20.23 C ATOM 1420 CG LEU A 90 2.240 -8.304 -5.333 1.00 11.42 C ATOM 1421 CD1 LEU A 90 3.237 -7.136 -5.259 1.00 21.53 C ATOM 1422 CD2 LEU A 90 2.964 -9.626 -5.063 1.00 15.01 C ATOM 0 H LEU A 90 -0.316 -8.712 -6.336 1.00 1.34 H new ATOM 0 HA LEU A 90 0.601 -10.144 -4.000 1.00 11.45 H new ATOM 0 HB2 LEU A 90 0.503 -7.191 -4.701 1.00 20.23 H new ATOM 0 HB3 LEU A 90 1.403 -7.915 -3.383 1.00 20.23 H new ATOM 0 HG LEU A 90 1.828 -8.347 -6.341 1.00 11.42 H new ATOM 0 HD11 LEU A 90 4.070 -7.326 -5.935 1.00 21.53 H new ATOM 0 HD12 LEU A 90 2.737 -6.212 -5.549 1.00 21.53 H new ATOM 0 HD13 LEU A 90 3.611 -7.041 -4.240 1.00 21.53 H new ATOM 0 HD21 LEU A 90 3.803 -9.728 -5.751 1.00 15.01 H new ATOM 0 HD22 LEU A 90 3.332 -9.636 -4.037 1.00 15.01 H new ATOM 0 HD23 LEU A 90 2.272 -10.456 -5.208 1.00 15.01 H new ATOM 1434 N ASN A 91 -0.978 -9.316 -2.185 1.00 43.11 N ATOM 1435 CA ASN A 91 -1.952 -8.885 -1.191 1.00 51.10 C ATOM 1436 C ASN A 91 -1.752 -7.394 -0.931 1.00 43.35 C ATOM 1437 O ASN A 91 -0.692 -6.829 -1.223 1.00 25.22 O ATOM 1438 CB ASN A 91 -1.805 -9.661 0.129 1.00 55.11 C ATOM 1439 CG ASN A 91 -3.145 -9.933 0.800 1.00 21.33 C ATOM 1440 OD1 ASN A 91 -4.091 -9.155 0.700 1.00 35.52 O ATOM 1441 ND2 ASN A 91 -3.217 -11.019 1.546 1.00 54.34 N ATOM 0 H ASN A 91 -0.194 -9.852 -1.812 1.00 43.11 H new ATOM 0 HA ASN A 91 -2.952 -9.082 -1.578 1.00 51.10 H new ATOM 0 HB2 ASN A 91 -1.301 -10.608 -0.064 1.00 55.11 H new ATOM 0 HB3 ASN A 91 -1.170 -9.095 0.810 1.00 55.11 H new ATOM 0 HD21 ASN A 91 -4.074 -11.230 2.058 1.00 54.34 H new ATOM 0 HD22 ASN A 91 -2.416 -11.647 1.611 1.00 54.34 H new ATOM 1448 N ILE A 92 -2.718 -6.771 -0.272 1.00 62.44 N ATOM 1449 CA ILE A 92 -2.590 -5.446 0.299 1.00 75.21 C ATOM 1450 C ILE A 92 -3.123 -5.576 1.717 1.00 63.42 C ATOM 1451 O ILE A 92 -4.196 -6.145 1.946 1.00 64.03 O ATOM 1452 CB ILE A 92 -3.369 -4.393 -0.500 1.00 64.00 C ATOM 1453 CG1 ILE A 92 -3.035 -4.430 -2.008 1.00 73.24 C ATOM 1454 CG2 ILE A 92 -3.042 -3.004 0.090 1.00 13.50 C ATOM 1455 CD1 ILE A 92 -3.895 -3.481 -2.844 1.00 53.32 C ATOM 0 H ILE A 92 -3.636 -7.188 -0.118 1.00 62.44 H new ATOM 0 HA ILE A 92 -1.556 -5.103 0.280 1.00 75.21 H new ATOM 0 HB ILE A 92 -4.434 -4.608 -0.417 1.00 64.00 H new ATOM 0 HG12 ILE A 92 -1.985 -4.174 -2.146 1.00 73.24 H new ATOM 0 HG13 ILE A 92 -3.166 -5.447 -2.377 1.00 73.24 H new ATOM 0 HG21 ILE A 92 -3.585 -2.237 -0.462 1.00 13.50 H new ATOM 0 HG22 ILE A 92 -3.339 -2.975 1.138 1.00 13.50 H new ATOM 0 HG23 ILE A 92 -1.971 -2.818 0.011 1.00 13.50 H new ATOM 0 HD11 ILE A 92 -3.608 -3.558 -3.893 1.00 53.32 H new ATOM 0 HD12 ILE A 92 -4.945 -3.751 -2.735 1.00 53.32 H new ATOM 0 HD13 ILE A 92 -3.746 -2.457 -2.501 1.00 53.32 H new ATOM 1467 N LEU A 93 -2.354 -5.067 2.664 1.00 52.01 N ATOM 1468 CA LEU A 93 -2.676 -4.971 4.053 1.00 11.52 C ATOM 1469 C LEU A 93 -2.805 -3.505 4.432 1.00 61.44 C ATOM 1470 O LEU A 93 -2.483 -2.599 3.659 1.00 64.40 O ATOM 1471 CB LEU A 93 -1.558 -5.580 4.897 1.00 33.44 C ATOM 1472 CG LEU A 93 -0.974 -6.919 4.474 1.00 43.41 C ATOM 1473 CD1 LEU A 93 0.232 -7.262 5.353 1.00 35.31 C ATOM 1474 CD2 LEU A 93 -1.956 -8.085 4.420 1.00 31.04 C ATOM 0 H LEU A 93 -1.430 -4.689 2.455 1.00 52.01 H new ATOM 0 HA LEU A 93 -3.609 -5.504 4.235 1.00 11.52 H new ATOM 0 HB2 LEU A 93 -0.741 -4.859 4.934 1.00 33.44 H new ATOM 0 HB3 LEU A 93 -1.933 -5.689 5.915 1.00 33.44 H new ATOM 0 HG LEU A 93 -0.669 -6.782 3.437 1.00 43.41 H new ATOM 0 HD11 LEU A 93 0.646 -8.222 5.045 1.00 35.31 H new ATOM 0 HD12 LEU A 93 0.992 -6.488 5.246 1.00 35.31 H new ATOM 0 HD13 LEU A 93 -0.082 -7.320 6.395 1.00 35.31 H new ATOM 0 HD21 LEU A 93 -1.432 -8.988 4.107 1.00 31.04 H new ATOM 0 HD22 LEU A 93 -2.390 -8.241 5.408 1.00 31.04 H new ATOM 0 HD23 LEU A 93 -2.749 -7.860 3.707 1.00 31.04 H new ATOM 1486 N ASP A 94 -3.204 -3.309 5.675 1.00 74.13 N ATOM 1487 CA ASP A 94 -3.314 -2.000 6.311 1.00 71.50 C ATOM 1488 C ASP A 94 -2.078 -1.702 7.163 1.00 73.43 C ATOM 1489 O ASP A 94 -1.094 -2.445 7.152 1.00 2.34 O ATOM 1490 CB ASP A 94 -4.599 -1.872 7.144 1.00 70.32 C ATOM 1491 CG ASP A 94 -4.485 -2.396 8.570 1.00 24.33 C ATOM 1492 OD1 ASP A 94 -4.339 -3.617 8.784 1.00 51.20 O ATOM 1493 OD2 ASP A 94 -4.508 -1.562 9.500 1.00 22.33 O ATOM 0 H ASP A 94 -3.470 -4.076 6.292 1.00 74.13 H new ATOM 0 HA ASP A 94 -3.370 -1.257 5.515 1.00 71.50 H new ATOM 0 HB2 ASP A 94 -4.891 -0.822 7.179 1.00 70.32 H new ATOM 0 HB3 ASP A 94 -5.400 -2.409 6.637 1.00 70.32 H new ATOM 1498 N ALA A 95 -2.147 -0.601 7.909 1.00 43.04 N ATOM 1499 CA ALA A 95 -1.115 -0.137 8.821 1.00 43.25 C ATOM 1500 C ALA A 95 -0.785 -1.173 9.889 1.00 62.10 C ATOM 1501 O ALA A 95 0.374 -1.269 10.304 1.00 22.21 O ATOM 1502 CB ALA A 95 -1.581 1.147 9.521 1.00 61.44 C ATOM 0 H ALA A 95 -2.960 0.015 7.890 1.00 43.04 H new ATOM 0 HA ALA A 95 -0.220 0.045 8.227 1.00 43.25 H new ATOM 0 HB1 ALA A 95 -0.804 1.492 10.204 1.00 61.44 H new ATOM 0 HB2 ALA A 95 -1.776 1.918 8.775 1.00 61.44 H new ATOM 0 HB3 ALA A 95 -2.494 0.945 10.082 1.00 61.44 H new ATOM 1508 N GLU A 96 -1.790 -1.891 10.382 1.00 25.53 N ATOM 1509 CA GLU A 96 -1.635 -2.972 11.343 1.00 42.54 C ATOM 1510 C GLU A 96 -1.052 -4.198 10.638 1.00 45.42 C ATOM 1511 O GLU A 96 -0.156 -4.870 11.154 1.00 54.15 O ATOM 1512 CB GLU A 96 -2.980 -3.289 11.991 1.00 50.54 C ATOM 1513 CG GLU A 96 -3.615 -2.056 12.655 1.00 13.14 C ATOM 1514 CD GLU A 96 -2.854 -1.495 13.854 1.00 63.33 C ATOM 1515 OE1 GLU A 96 -2.428 -2.285 14.724 1.00 2.44 O ATOM 1516 OE2 GLU A 96 -2.760 -0.249 13.967 1.00 45.23 O ATOM 0 H GLU A 96 -2.761 -1.730 10.115 1.00 25.53 H new ATOM 0 HA GLU A 96 -0.947 -2.670 12.133 1.00 42.54 H new ATOM 0 HB2 GLU A 96 -3.660 -3.683 11.236 1.00 50.54 H new ATOM 0 HB3 GLU A 96 -2.845 -4.072 12.738 1.00 50.54 H new ATOM 0 HG2 GLU A 96 -3.711 -1.270 11.906 1.00 13.14 H new ATOM 0 HG3 GLU A 96 -4.624 -2.316 12.975 1.00 13.14 H new ATOM 1523 N GLY A 97 -1.525 -4.450 9.418 1.00 35.23 N ATOM 1524 CA GLY A 97 -1.124 -5.568 8.585 1.00 62.11 C ATOM 1525 C GLY A 97 -2.229 -6.613 8.419 1.00 4.51 C ATOM 1526 O GLY A 97 -1.948 -7.761 8.081 1.00 22.40 O ATOM 0 H GLY A 97 -2.224 -3.855 8.972 1.00 35.23 H new ATOM 0 HA2 GLY A 97 -0.832 -5.196 7.603 1.00 62.11 H new ATOM 0 HA3 GLY A 97 -0.245 -6.042 9.021 1.00 62.11 H new ATOM 1530 N ASN A 98 -3.481 -6.247 8.672 1.00 55.12 N ATOM 1531 CA ASN A 98 -4.644 -7.040 8.276 1.00 42.33 C ATOM 1532 C ASN A 98 -4.841 -6.869 6.770 1.00 21.34 C ATOM 1533 O ASN A 98 -4.711 -5.750 6.281 1.00 41.51 O ATOM 1534 CB ASN A 98 -5.907 -6.525 8.971 1.00 14.31 C ATOM 1535 CG ASN A 98 -5.755 -6.302 10.464 1.00 45.21 C ATOM 1536 OD1 ASN A 98 -5.651 -7.239 11.250 1.00 34.11 O ATOM 1537 ND2 ASN A 98 -5.800 -5.053 10.876 1.00 31.53 N ATOM 0 H ASN A 98 -3.721 -5.385 9.162 1.00 55.12 H new ATOM 0 HA ASN A 98 -4.477 -8.082 8.550 1.00 42.33 H new ATOM 0 HB2 ASN A 98 -6.206 -5.586 8.505 1.00 14.31 H new ATOM 0 HB3 ASN A 98 -6.715 -7.237 8.803 1.00 14.31 H new ATOM 0 HD21 ASN A 98 -5.748 -4.843 11.873 1.00 31.53 H new ATOM 0 HD22 ASN A 98 -5.887 -4.295 10.199 1.00 31.53 H new ATOM 1544 N SER A 99 -5.184 -7.923 6.025 1.00 42.41 N ATOM 1545 CA SER A 99 -5.421 -7.812 4.584 1.00 24.13 C ATOM 1546 C SER A 99 -6.726 -7.062 4.305 1.00 42.24 C ATOM 1547 O SER A 99 -7.783 -7.459 4.808 1.00 63.03 O ATOM 1548 CB SER A 99 -5.441 -9.196 3.930 1.00 13.23 C ATOM 1549 OG SER A 99 -4.511 -10.112 4.499 1.00 31.21 O ATOM 0 H SER A 99 -5.304 -8.865 6.397 1.00 42.41 H new ATOM 0 HA SER A 99 -4.601 -7.241 4.148 1.00 24.13 H new ATOM 0 HB2 SER A 99 -6.445 -9.613 4.013 1.00 13.23 H new ATOM 0 HB3 SER A 99 -5.227 -9.089 2.867 1.00 13.23 H new ATOM 0 HG SER A 99 -4.577 -10.974 4.037 1.00 31.21 H new ATOM 1555 N ILE A 100 -6.681 -6.012 3.487 1.00 71.21 N ATOM 1556 CA ILE A 100 -7.838 -5.191 3.141 1.00 24.54 C ATOM 1557 C ILE A 100 -8.004 -5.122 1.625 1.00 24.02 C ATOM 1558 O ILE A 100 -7.029 -5.264 0.879 1.00 43.12 O ATOM 1559 CB ILE A 100 -7.750 -3.777 3.760 1.00 5.42 C ATOM 1560 CG1 ILE A 100 -6.344 -3.155 3.607 1.00 12.43 C ATOM 1561 CG2 ILE A 100 -8.201 -3.818 5.229 1.00 61.40 C ATOM 1562 CD1 ILE A 100 -6.339 -1.643 3.833 1.00 32.11 C ATOM 0 H ILE A 100 -5.820 -5.702 3.037 1.00 71.21 H new ATOM 0 HA ILE A 100 -8.722 -5.666 3.566 1.00 24.54 H new ATOM 0 HB ILE A 100 -8.427 -3.125 3.208 1.00 5.42 H new ATOM 0 HG12 ILE A 100 -5.664 -3.626 4.316 1.00 12.43 H new ATOM 0 HG13 ILE A 100 -5.963 -3.370 2.609 1.00 12.43 H new ATOM 0 HG21 ILE A 100 -8.136 -2.818 5.658 1.00 61.40 H new ATOM 0 HG22 ILE A 100 -9.231 -4.170 5.284 1.00 61.40 H new ATOM 0 HG23 ILE A 100 -7.556 -4.495 5.789 1.00 61.40 H new ATOM 0 HD11 ILE A 100 -5.325 -1.261 3.713 1.00 32.11 H new ATOM 0 HD12 ILE A 100 -6.996 -1.164 3.107 1.00 32.11 H new ATOM 0 HD13 ILE A 100 -6.692 -1.425 4.841 1.00 32.11 H new ATOM 1574 N ASP A 101 -9.239 -4.899 1.175 1.00 1.13 N ATOM 1575 CA ASP A 101 -9.520 -4.572 -0.217 1.00 52.43 C ATOM 1576 C ASP A 101 -9.163 -3.111 -0.443 1.00 13.22 C ATOM 1577 O ASP A 101 -9.256 -2.273 0.452 1.00 31.45 O ATOM 1578 CB ASP A 101 -10.995 -4.763 -0.583 1.00 42.12 C ATOM 1579 CG ASP A 101 -11.335 -6.195 -0.992 1.00 74.51 C ATOM 1580 OD1 ASP A 101 -10.771 -6.668 -2.008 1.00 34.11 O ATOM 1581 OD2 ASP A 101 -12.120 -6.851 -0.264 1.00 43.14 O ATOM 0 H ASP A 101 -10.069 -4.941 1.766 1.00 1.13 H new ATOM 0 HA ASP A 101 -8.931 -5.244 -0.841 1.00 52.43 H new ATOM 0 HB2 ASP A 101 -11.613 -4.479 0.269 1.00 42.12 H new ATOM 0 HB3 ASP A 101 -11.250 -4.089 -1.401 1.00 42.12 H new ATOM 1586 N ALA A 102 -8.800 -2.801 -1.680 1.00 33.42 N ATOM 1587 CA ALA A 102 -8.277 -1.492 -2.067 1.00 32.35 C ATOM 1588 C ALA A 102 -9.370 -0.429 -2.053 1.00 44.31 C ATOM 1589 O ALA A 102 -9.101 0.750 -1.824 1.00 33.12 O ATOM 1590 CB ALA A 102 -7.650 -1.593 -3.456 1.00 32.22 C ATOM 0 H ALA A 102 -8.860 -3.460 -2.457 1.00 33.42 H new ATOM 0 HA ALA A 102 -7.520 -1.191 -1.343 1.00 32.35 H new ATOM 0 HB1 ALA A 102 -7.258 -0.619 -3.750 1.00 32.22 H new ATOM 0 HB2 ALA A 102 -6.838 -2.320 -3.437 1.00 32.22 H new ATOM 0 HB3 ALA A 102 -8.406 -1.912 -4.174 1.00 32.22 H new ATOM 1596 N ALA A 103 -10.616 -0.851 -2.259 1.00 62.41 N ATOM 1597 CA ALA A 103 -11.782 0.008 -2.188 1.00 22.25 C ATOM 1598 C ALA A 103 -11.982 0.588 -0.784 1.00 1.44 C ATOM 1599 O ALA A 103 -12.619 1.629 -0.626 1.00 70.25 O ATOM 1600 CB ALA A 103 -12.996 -0.826 -2.583 1.00 3.23 C ATOM 0 H ALA A 103 -10.841 -1.820 -2.484 1.00 62.41 H new ATOM 0 HA ALA A 103 -11.646 0.853 -2.863 1.00 22.25 H new ATOM 0 HB1 ALA A 103 -13.892 -0.207 -2.540 1.00 3.23 H new ATOM 0 HB2 ALA A 103 -12.864 -1.203 -3.597 1.00 3.23 H new ATOM 0 HB3 ALA A 103 -13.101 -1.665 -1.895 1.00 3.23 H new ATOM 1606 N GLN A 104 -11.421 -0.063 0.236 1.00 21.53 N ATOM 1607 CA GLN A 104 -11.425 0.417 1.607 1.00 54.23 C ATOM 1608 C GLN A 104 -10.236 1.355 1.874 1.00 75.12 C ATOM 1609 O GLN A 104 -9.905 1.618 3.026 1.00 40.34 O ATOM 1610 CB GLN A 104 -11.486 -0.784 2.555 1.00 0.23 C ATOM 1611 CG GLN A 104 -12.773 -1.603 2.328 1.00 2.21 C ATOM 1612 CD GLN A 104 -13.383 -2.143 3.616 1.00 31.23 C ATOM 1613 OE1 GLN A 104 -14.373 -1.639 4.136 1.00 1.32 O ATOM 1614 NE2 GLN A 104 -12.831 -3.212 4.144 1.00 5.14 N ATOM 0 H GLN A 104 -10.943 -0.957 0.123 1.00 21.53 H new ATOM 0 HA GLN A 104 -12.311 1.025 1.789 1.00 54.23 H new ATOM 0 HB2 GLN A 104 -10.614 -1.419 2.399 1.00 0.23 H new ATOM 0 HB3 GLN A 104 -11.448 -0.439 3.588 1.00 0.23 H new ATOM 0 HG2 GLN A 104 -13.508 -0.978 1.821 1.00 2.21 H new ATOM 0 HG3 GLN A 104 -12.551 -2.437 1.662 1.00 2.21 H new ATOM 0 HE21 GLN A 104 -12.008 -3.629 3.709 1.00 5.14 H new ATOM 0 HE22 GLN A 104 -13.226 -3.625 4.989 1.00 5.14 H new ATOM 1623 N VAL A 105 -9.562 1.841 0.831 1.00 64.01 N ATOM 1624 CA VAL A 105 -8.466 2.802 0.923 1.00 11.33 C ATOM 1625 C VAL A 105 -8.748 4.005 0.016 1.00 4.23 C ATOM 1626 O VAL A 105 -8.542 5.153 0.411 1.00 74.12 O ATOM 1627 CB VAL A 105 -7.125 2.122 0.573 1.00 45.42 C ATOM 1628 CG1 VAL A 105 -5.932 3.034 0.887 1.00 72.40 C ATOM 1629 CG2 VAL A 105 -6.913 0.798 1.324 1.00 43.23 C ATOM 0 H VAL A 105 -9.771 1.568 -0.129 1.00 64.01 H new ATOM 0 HA VAL A 105 -8.390 3.166 1.947 1.00 11.33 H new ATOM 0 HB VAL A 105 -7.180 1.920 -0.497 1.00 45.42 H new ATOM 0 HG11 VAL A 105 -5.005 2.523 0.628 1.00 72.40 H new ATOM 0 HG12 VAL A 105 -6.014 3.953 0.307 1.00 72.40 H new ATOM 0 HG13 VAL A 105 -5.928 3.275 1.950 1.00 72.40 H new ATOM 0 HG21 VAL A 105 -5.954 0.367 1.037 1.00 43.23 H new ATOM 0 HG22 VAL A 105 -6.921 0.984 2.398 1.00 43.23 H new ATOM 0 HG23 VAL A 105 -7.714 0.103 1.070 1.00 43.23 H new ATOM 1639 N THR A 106 -9.239 3.780 -1.203 1.00 32.20 N ATOM 1640 CA THR A 106 -9.432 4.849 -2.182 1.00 31.02 C ATOM 1641 C THR A 106 -10.702 5.691 -1.940 1.00 34.40 C ATOM 1642 O THR A 106 -11.044 6.529 -2.778 1.00 63.31 O ATOM 1643 CB THR A 106 -9.287 4.277 -3.610 1.00 22.52 C ATOM 1644 OG1 THR A 106 -9.976 3.050 -3.798 1.00 64.21 O ATOM 1645 CG2 THR A 106 -7.798 4.001 -3.897 1.00 4.34 C ATOM 0 H THR A 106 -9.513 2.856 -1.538 1.00 32.20 H new ATOM 0 HA THR A 106 -8.639 5.586 -2.052 1.00 31.02 H new ATOM 0 HB THR A 106 -9.715 5.022 -4.280 1.00 22.52 H new ATOM 0 HG1 THR A 106 -9.848 2.741 -4.719 1.00 64.21 H new ATOM 0 HG21 THR A 106 -7.690 3.597 -4.904 1.00 4.34 H new ATOM 0 HG22 THR A 106 -7.234 4.930 -3.816 1.00 4.34 H new ATOM 0 HG23 THR A 106 -7.416 3.280 -3.174 1.00 4.34 H new