USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 770 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 99 LYS NZ :NH3+ -120:sc= 0.154 (180deg=-0.281) USER MOD Set 1.2: A 100 CYS SG : rot 94:sc= 0.27 USER MOD Set 2.1: A 61 ASN : amide:sc= 1.21 K(o=2.5,f=-4.4!) USER MOD Set 2.2: A 84 THR OG1 : rot 15:sc= 1.31 USER MOD Set 3.1: A 15 MET CE :methyl -161:sc= -3.32 (180deg=-3.13!) USER MOD Set 3.2: A 49 SER OG : rot -24:sc= -0.648 USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0.0702 USER MOD Set 4.2: A 35 GLN : amide:sc= -0.339 K(o=-0.29,f=-4.1!) USER MOD Set 4.3: A 70 HIS : no HD1:sc= -0.025 X(o=-0.29,f=-0.24) USER MOD Single : A 13 CYS SG : rot 170:sc=-0.000578 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0.0558) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.07) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 22 TYR OH : rot -140:sc= -0.0871 USER MOD Single : A 25 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.2!) USER MOD Single : A 27 HIS : no HE2:sc= -2.5! K(o=-2.5!,f=-1.4) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -82:sc= 1.27 USER MOD Single : A 54 GLN : amide:sc= 2.42 K(o=2.4,f=-0.0089) USER MOD Single : A 64 CYS SG : rot 180:sc= 0.124 USER MOD Single : A 65 MET CE :methyl -160:sc= -1.72 (180deg=-2.77!) USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0.783 (180deg=0.769) USER MOD Single : A 69 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.76) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 0.863 (180deg=0.607) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 171:sc= 1.18 (180deg=1.1) USER MOD Single : A 105 SER OG : rot 180:sc= -0.109 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.476 K(o=-0.48,f=-1.8!) USER MOD Single : A 110 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.941 -8.332 -0.177 1.00 0.80 N ATOM 107 CA LEU A 8 -8.490 -7.091 -0.806 1.00 0.56 C ATOM 108 C LEU A 8 -7.898 -6.158 0.242 1.00 0.48 C ATOM 109 O LEU A 8 -8.359 -5.033 0.426 1.00 0.47 O ATOM 110 CB LEU A 8 -9.651 -6.396 -1.518 1.00 0.47 C ATOM 111 CG LEU A 8 -10.319 -7.206 -2.624 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.485 -6.428 -3.211 1.00 0.61 C ATOM 113 CD2 LEU A 8 -9.313 -7.566 -3.707 1.00 0.72 C ATOM 0 HA LEU A 8 -7.725 -7.338 -1.542 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.406 -6.134 -0.776 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.286 -5.462 -1.945 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.701 -8.133 -2.196 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.954 -7.016 -4.000 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -12.215 -6.222 -2.429 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.123 -5.488 -3.626 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.809 -8.144 -4.487 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.900 -6.654 -4.138 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -8.508 -8.159 -3.273 1.00 0.72 H new ATOM 125 N ARG A 9 -6.873 -6.633 0.920 1.00 0.52 N ATOM 126 CA ARG A 9 -6.271 -5.900 2.015 1.00 0.51 C ATOM 127 C ARG A 9 -4.811 -5.612 1.711 1.00 0.43 C ATOM 128 O ARG A 9 -4.111 -6.449 1.140 1.00 0.47 O ATOM 129 CB ARG A 9 -6.403 -6.698 3.318 1.00 0.69 C ATOM 130 CG ARG A 9 -7.829 -6.762 3.847 1.00 1.15 C ATOM 131 CD ARG A 9 -7.927 -7.570 5.131 1.00 1.21 C ATOM 132 NE ARG A 9 -7.917 -9.013 4.888 1.00 1.84 N ATOM 133 CZ ARG A 9 -7.211 -9.884 5.607 1.00 2.23 C ATOM 134 NH1 ARG A 9 -6.383 -9.449 6.546 1.00 2.21 N ATOM 135 NH2 ARG A 9 -7.330 -11.185 5.380 1.00 3.09 N ATOM 0 H ARG A 9 -6.435 -7.534 0.729 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.793 -4.951 2.136 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.039 -7.712 3.153 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -5.762 -6.249 4.077 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -8.194 -5.751 4.027 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -8.476 -7.205 3.090 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -7.095 -7.309 5.785 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -8.843 -7.300 5.657 1.00 1.21 H new ATOM 0 HE ARG A 9 -8.485 -9.374 4.122 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -6.287 -8.448 6.717 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -5.842 -10.115 7.097 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -7.963 -11.520 4.654 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -6.789 -11.851 5.932 1.00 3.09 H new ATOM 149 N PRO A 10 -4.347 -4.408 2.076 1.00 0.36 N ATOM 150 CA PRO A 10 -2.960 -3.992 1.882 1.00 0.30 C ATOM 151 C PRO A 10 -1.989 -4.816 2.724 1.00 0.28 C ATOM 152 O PRO A 10 -2.392 -5.692 3.493 1.00 0.38 O ATOM 153 CB PRO A 10 -2.957 -2.524 2.336 1.00 0.29 C ATOM 154 CG PRO A 10 -4.382 -2.110 2.336 1.00 0.47 C ATOM 155 CD PRO A 10 -5.150 -3.341 2.682 1.00 0.40 C ATOM 0 HA PRO A 10 -2.632 -4.130 0.852 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -2.517 -2.420 3.328 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.368 -1.905 1.660 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -4.561 -1.317 3.063 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.679 -1.722 1.362 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.244 -3.469 3.760 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -6.161 -3.315 2.275 1.00 0.40 H new ATOM 163 N ARG A 11 -0.711 -4.525 2.586 1.00 0.29 N ATOM 164 CA ARG A 11 0.327 -5.281 3.277 1.00 0.34 C ATOM 165 C ARG A 11 1.349 -4.364 3.944 1.00 0.27 C ATOM 166 O ARG A 11 1.789 -3.371 3.358 1.00 0.27 O ATOM 167 CB ARG A 11 1.031 -6.223 2.293 1.00 0.49 C ATOM 168 CG ARG A 11 1.532 -5.530 1.034 1.00 0.63 C ATOM 169 CD ARG A 11 2.229 -6.496 0.088 1.00 1.00 C ATOM 170 NE ARG A 11 1.370 -7.612 -0.293 1.00 1.22 N ATOM 171 CZ ARG A 11 0.957 -7.845 -1.538 1.00 1.59 C ATOM 172 NH1 ARG A 11 1.264 -7.007 -2.518 1.00 1.95 N ATOM 173 NH2 ARG A 11 0.225 -8.915 -1.810 1.00 2.37 N ATOM 0 H ARG A 11 -0.360 -3.768 2.000 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.155 -5.865 4.061 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.874 -6.696 2.797 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.342 -7.019 2.009 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.693 -5.062 0.520 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.222 -4.732 1.310 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.544 -5.961 -0.808 1.00 1.00 H new ATOM 0 HD3 ARG A 11 3.131 -6.880 0.564 1.00 1.00 H new ATOM 0 HE ARG A 11 1.067 -8.254 0.439 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.821 -6.175 -2.322 1.00 1.95 H new ATOM 0 HH12 ARG A 11 0.943 -7.194 -3.468 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -0.025 -9.565 -1.065 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -0.089 -9.089 -2.765 1.00 2.37 H new ATOM 187 N LEU A 12 1.718 -4.705 5.175 1.00 0.29 N ATOM 188 CA LEU A 12 2.786 -4.006 5.877 1.00 0.26 C ATOM 189 C LEU A 12 4.102 -4.701 5.592 1.00 0.25 C ATOM 190 O LEU A 12 4.325 -5.833 6.025 1.00 0.32 O ATOM 191 CB LEU A 12 2.553 -3.997 7.396 1.00 0.34 C ATOM 192 CG LEU A 12 2.115 -2.668 8.019 1.00 0.60 C ATOM 193 CD1 LEU A 12 2.098 -2.786 9.535 1.00 1.32 C ATOM 194 CD2 LEU A 12 3.020 -1.522 7.599 1.00 1.28 C ATOM 0 H LEU A 12 1.291 -5.463 5.707 1.00 0.29 H new ATOM 0 HA LEU A 12 2.804 -2.975 5.525 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.797 -4.747 7.628 1.00 0.34 H new ATOM 0 HB3 LEU A 12 3.475 -4.313 7.883 1.00 0.34 H new ATOM 0 HG LEU A 12 1.111 -2.448 7.657 1.00 0.60 H new ATOM 0 HD11 LEU A 12 1.786 -1.837 9.970 1.00 1.32 H new ATOM 0 HD12 LEU A 12 1.399 -3.569 9.831 1.00 1.32 H new ATOM 0 HD13 LEU A 12 3.097 -3.037 9.892 1.00 1.32 H new ATOM 0 HD21 LEU A 12 2.675 -0.598 8.062 1.00 1.28 H new ATOM 0 HD22 LEU A 12 4.041 -1.729 7.918 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.994 -1.416 6.514 1.00 1.28 H new ATOM 206 N CYS A 13 4.961 -4.044 4.847 1.00 0.23 N ATOM 207 CA CYS A 13 6.270 -4.584 4.565 1.00 0.25 C ATOM 208 C CYS A 13 7.269 -4.008 5.553 1.00 0.22 C ATOM 209 O CYS A 13 7.514 -2.803 5.571 1.00 0.24 O ATOM 210 CB CYS A 13 6.674 -4.251 3.128 1.00 0.29 C ATOM 211 SG CYS A 13 5.472 -4.794 1.893 1.00 0.40 S ATOM 0 H CYS A 13 4.776 -3.134 4.425 1.00 0.23 H new ATOM 0 HA CYS A 13 6.253 -5.669 4.670 1.00 0.25 H new ATOM 0 HB2 CYS A 13 6.812 -3.173 3.039 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.637 -4.715 2.914 1.00 0.29 H new ATOM 0 HG CYS A 13 5.781 -4.290 0.735 1.00 0.40 H new ATOM 217 N THR A 14 7.836 -4.866 6.377 1.00 0.23 N ATOM 218 CA THR A 14 8.769 -4.421 7.387 1.00 0.24 C ATOM 219 C THR A 14 10.168 -4.877 7.013 1.00 0.22 C ATOM 220 O THR A 14 10.434 -6.075 6.900 1.00 0.25 O ATOM 221 CB THR A 14 8.382 -4.980 8.772 1.00 0.31 C ATOM 222 OG1 THR A 14 6.969 -4.822 8.977 1.00 0.35 O ATOM 223 CG2 THR A 14 9.137 -4.260 9.882 1.00 0.35 C ATOM 0 H THR A 14 7.667 -5.872 6.366 1.00 0.23 H new ATOM 0 HA THR A 14 8.741 -3.333 7.440 1.00 0.24 H new ATOM 0 HB THR A 14 8.647 -6.037 8.801 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.724 -5.179 9.856 1.00 0.35 H new ATOM 0 HG21 THR A 14 8.846 -4.673 10.848 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.209 -4.394 9.739 1.00 0.35 H new ATOM 0 HG23 THR A 14 8.897 -3.197 9.855 1.00 0.35 H new ATOM 231 N MET A 15 11.056 -3.923 6.811 1.00 0.20 N ATOM 232 CA MET A 15 12.398 -4.232 6.362 1.00 0.19 C ATOM 233 C MET A 15 13.420 -3.573 7.267 1.00 0.21 C ATOM 234 O MET A 15 13.299 -2.396 7.608 1.00 0.21 O ATOM 235 CB MET A 15 12.598 -3.781 4.909 1.00 0.21 C ATOM 236 CG MET A 15 12.326 -2.305 4.683 1.00 0.24 C ATOM 237 SD MET A 15 12.460 -1.818 2.952 1.00 0.88 S ATOM 238 CE MET A 15 10.976 -2.566 2.287 1.00 0.28 C ATOM 0 H MET A 15 10.872 -2.929 6.951 1.00 0.20 H new ATOM 0 HA MET A 15 12.538 -5.312 6.408 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.622 -4.003 4.607 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.942 -4.365 4.264 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.326 -2.066 5.045 1.00 0.24 H new ATOM 0 HG3 MET A 15 13.028 -1.718 5.275 1.00 0.24 H new ATOM 0 HE1 MET A 15 11.068 -2.656 1.205 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.840 -3.556 2.723 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.115 -1.942 2.527 1.00 0.28 H new ATOM 248 N LYS A 16 14.411 -4.345 7.665 1.00 0.29 N ATOM 249 CA LYS A 16 15.470 -3.842 8.509 1.00 0.37 C ATOM 250 C LYS A 16 16.770 -3.848 7.722 1.00 0.40 C ATOM 251 O LYS A 16 17.048 -4.790 6.981 1.00 0.48 O ATOM 252 CB LYS A 16 15.578 -4.694 9.780 1.00 0.50 C ATOM 253 CG LYS A 16 16.450 -4.081 10.866 1.00 0.90 C ATOM 254 CD LYS A 16 17.909 -4.471 10.709 1.00 1.09 C ATOM 255 CE LYS A 16 18.798 -3.716 11.682 1.00 1.96 C ATOM 256 NZ LYS A 16 18.308 -3.809 13.083 1.00 2.58 N ATOM 0 H LYS A 16 14.503 -5.329 7.414 1.00 0.29 H new ATOM 0 HA LYS A 16 15.253 -2.819 8.817 1.00 0.37 H new ATOM 0 HB2 LYS A 16 14.578 -4.857 10.181 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.979 -5.672 9.516 1.00 0.50 H new ATOM 0 HG2 LYS A 16 16.359 -2.995 10.835 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.092 -4.403 11.844 1.00 0.90 H new ATOM 0 HD2 LYS A 16 18.019 -5.543 10.872 1.00 1.09 H new ATOM 0 HD3 LYS A 16 18.232 -4.269 9.688 1.00 1.09 H new ATOM 0 HE2 LYS A 16 19.812 -4.112 11.627 1.00 1.96 H new ATOM 0 HE3 LYS A 16 18.849 -2.668 11.386 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 19.093 -3.622 13.739 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 17.555 -3.107 13.235 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 17.932 -4.763 13.257 1.00 2.58 H new ATOM 270 N LYS A 17 17.540 -2.781 7.874 1.00 0.41 N ATOM 271 CA LYS A 17 18.778 -2.596 7.125 1.00 0.50 C ATOM 272 C LYS A 17 19.711 -3.790 7.299 1.00 0.60 C ATOM 273 O LYS A 17 20.112 -4.122 8.417 1.00 0.67 O ATOM 274 CB LYS A 17 19.473 -1.315 7.582 1.00 0.51 C ATOM 275 CG LYS A 17 19.677 -0.299 6.471 1.00 0.52 C ATOM 276 CD LYS A 17 20.246 1.009 7.002 1.00 0.53 C ATOM 277 CE LYS A 17 19.274 1.704 7.940 1.00 0.62 C ATOM 278 NZ LYS A 17 19.827 2.980 8.469 1.00 0.92 N ATOM 0 H LYS A 17 17.327 -2.019 8.518 1.00 0.41 H new ATOM 0 HA LYS A 17 18.529 -2.515 6.067 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.884 -0.857 8.377 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.442 -1.571 8.010 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.351 -0.711 5.720 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.726 -0.107 5.974 1.00 0.52 H new ATOM 0 HD2 LYS A 17 21.181 0.813 7.527 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.481 1.669 6.167 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.341 1.904 7.413 1.00 0.62 H new ATOM 0 HE3 LYS A 17 19.034 1.040 8.771 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.293 3.266 9.314 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.827 2.847 8.720 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.748 3.720 7.743 1.00 0.92 H new ATOM 292 N GLY A 18 20.057 -4.426 6.189 1.00 0.68 N ATOM 293 CA GLY A 18 20.876 -5.620 6.245 1.00 0.85 C ATOM 294 C GLY A 18 22.324 -5.358 5.890 1.00 1.05 C ATOM 295 O GLY A 18 22.958 -4.479 6.478 1.00 1.28 O ATOM 0 H GLY A 18 19.785 -4.136 5.250 1.00 0.68 H new ATOM 0 HA2 GLY A 18 20.824 -6.044 7.248 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.469 -6.366 5.562 1.00 0.85 H new ATOM 299 N PRO A 19 22.870 -6.107 4.916 1.00 1.24 N ATOM 300 CA PRO A 19 24.281 -6.010 4.522 1.00 1.57 C ATOM 301 C PRO A 19 24.675 -4.613 4.049 1.00 1.57 C ATOM 302 O PRO A 19 25.742 -4.106 4.399 1.00 2.23 O ATOM 303 CB PRO A 19 24.412 -7.020 3.373 1.00 1.91 C ATOM 304 CG PRO A 19 23.018 -7.280 2.917 1.00 1.86 C ATOM 305 CD PRO A 19 22.155 -7.126 4.132 1.00 1.40 C ATOM 0 HA PRO A 19 24.941 -6.214 5.365 1.00 1.57 H new ATOM 0 HB2 PRO A 19 25.022 -6.618 2.564 1.00 1.91 H new ATOM 0 HB3 PRO A 19 24.893 -7.938 3.709 1.00 1.91 H new ATOM 0 HG2 PRO A 19 22.724 -6.577 2.137 1.00 1.86 H new ATOM 0 HG3 PRO A 19 22.925 -8.281 2.496 1.00 1.86 H new ATOM 0 HD2 PRO A 19 21.147 -6.803 3.873 1.00 1.40 H new ATOM 0 HD3 PRO A 19 22.058 -8.063 4.680 1.00 1.40 H new ATOM 313 N SER A 20 23.821 -3.997 3.246 1.00 1.40 N ATOM 314 CA SER A 20 24.083 -2.665 2.724 1.00 1.65 C ATOM 315 C SER A 20 22.776 -1.947 2.406 1.00 1.43 C ATOM 316 O SER A 20 22.287 -1.995 1.276 1.00 1.93 O ATOM 317 CB SER A 20 24.960 -2.747 1.471 1.00 2.14 C ATOM 318 OG SER A 20 26.212 -3.356 1.760 1.00 2.87 O ATOM 0 H SER A 20 22.936 -4.401 2.940 1.00 1.40 H new ATOM 0 HA SER A 20 24.614 -2.096 3.487 1.00 1.65 H new ATOM 0 HB2 SER A 20 24.444 -3.318 0.699 1.00 2.14 H new ATOM 0 HB3 SER A 20 25.123 -1.746 1.071 1.00 2.14 H new ATOM 0 HG SER A 20 26.752 -3.398 0.943 1.00 2.87 H new ATOM 324 N GLY A 21 22.210 -1.300 3.416 1.00 1.04 N ATOM 325 CA GLY A 21 20.983 -0.551 3.235 1.00 0.94 C ATOM 326 C GLY A 21 19.800 -1.433 2.900 1.00 0.97 C ATOM 327 O GLY A 21 19.606 -2.490 3.508 1.00 1.93 O ATOM 0 H GLY A 21 22.583 -1.281 4.365 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.767 0.008 4.145 1.00 0.94 H new ATOM 0 HA3 GLY A 21 21.123 0.179 2.438 1.00 0.94 H new ATOM 331 N TYR A 22 19.012 -0.994 1.931 1.00 0.74 N ATOM 332 CA TYR A 22 17.856 -1.745 1.467 1.00 0.70 C ATOM 333 C TYR A 22 17.982 -1.958 -0.040 1.00 0.89 C ATOM 334 O TYR A 22 18.980 -1.551 -0.634 1.00 1.82 O ATOM 335 CB TYR A 22 16.556 -1.001 1.791 1.00 0.64 C ATOM 336 CG TYR A 22 16.449 -0.530 3.228 1.00 0.50 C ATOM 337 CD1 TYR A 22 16.220 -1.424 4.270 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.565 0.820 3.537 1.00 0.55 C ATOM 339 CE1 TYR A 22 16.117 -0.982 5.573 1.00 0.46 C ATOM 340 CE2 TYR A 22 16.465 1.266 4.839 1.00 0.54 C ATOM 341 CZ TYR A 22 16.239 0.362 5.851 1.00 0.46 C ATOM 342 OH TYR A 22 16.141 0.803 7.148 1.00 0.59 O ATOM 0 H TYR A 22 19.155 -0.109 1.445 1.00 0.74 H new ATOM 0 HA TYR A 22 17.824 -2.708 1.977 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.471 -0.138 1.131 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.712 -1.655 1.571 1.00 0.64 H new ATOM 0 HD1 TYR A 22 16.122 -2.478 4.056 1.00 0.47 H new ATOM 0 HD2 TYR A 22 16.736 1.533 2.744 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.941 -1.687 6.372 1.00 0.46 H new ATOM 0 HE2 TYR A 22 16.564 2.318 5.062 1.00 0.54 H new ATOM 0 HH TYR A 22 15.634 1.641 7.171 1.00 0.59 H new ATOM 352 N GLY A 23 16.983 -2.572 -0.661 1.00 0.43 N ATOM 353 CA GLY A 23 17.079 -2.859 -2.080 1.00 0.42 C ATOM 354 C GLY A 23 15.746 -2.787 -2.796 1.00 0.39 C ATOM 355 O GLY A 23 15.071 -3.803 -2.961 1.00 0.39 O ATOM 0 H GLY A 23 16.117 -2.874 -0.214 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.770 -2.153 -2.541 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.503 -3.854 -2.215 1.00 0.42 H new ATOM 359 N PHE A 24 15.364 -1.590 -3.217 1.00 0.37 N ATOM 360 CA PHE A 24 14.140 -1.402 -3.985 1.00 0.36 C ATOM 361 C PHE A 24 14.229 -0.135 -4.831 1.00 0.38 C ATOM 362 O PHE A 24 14.857 0.847 -4.433 1.00 0.40 O ATOM 363 CB PHE A 24 12.908 -1.354 -3.067 1.00 0.34 C ATOM 364 CG PHE A 24 12.932 -0.256 -2.035 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.567 -0.440 -0.816 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.311 0.958 -2.283 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.582 0.565 0.133 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.321 1.966 -1.337 1.00 0.36 C ATOM 369 CZ PHE A 24 12.958 1.769 -0.128 1.00 0.36 C ATOM 0 H PHE A 24 15.885 -0.731 -3.039 1.00 0.37 H new ATOM 0 HA PHE A 24 14.027 -2.258 -4.651 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.017 -1.235 -3.684 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.816 -2.312 -2.556 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.056 -1.380 -0.606 1.00 0.33 H new ATOM 0 HD2 PHE A 24 11.813 1.119 -3.228 1.00 0.34 H new ATOM 0 HE1 PHE A 24 14.081 0.409 1.078 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.831 2.906 -1.543 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.968 2.555 0.612 1.00 0.36 H new ATOM 379 N ASN A 25 13.606 -0.173 -5.999 1.00 0.43 N ATOM 380 CA ASN A 25 13.611 0.955 -6.921 1.00 0.46 C ATOM 381 C ASN A 25 12.291 1.698 -6.817 1.00 0.42 C ATOM 382 O ASN A 25 11.219 1.099 -6.943 1.00 0.39 O ATOM 383 CB ASN A 25 13.833 0.471 -8.356 1.00 0.51 C ATOM 384 CG ASN A 25 15.076 -0.391 -8.505 1.00 1.23 C ATOM 385 OD1 ASN A 25 15.108 -1.310 -9.321 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.111 -0.099 -7.730 1.00 1.65 N ATOM 0 H ASN A 25 13.084 -0.983 -6.335 1.00 0.43 H new ATOM 0 HA ASN A 25 14.426 1.628 -6.656 1.00 0.46 H new ATOM 0 HB2 ASN A 25 12.962 -0.098 -8.681 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.915 1.334 -9.017 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.970 -0.644 -7.800 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.048 0.671 -7.064 1.00 1.65 H new ATOM 393 N LEU A 26 12.367 2.998 -6.603 1.00 0.50 N ATOM 394 CA LEU A 26 11.191 3.782 -6.264 1.00 0.52 C ATOM 395 C LEU A 26 10.666 4.560 -7.472 1.00 0.55 C ATOM 396 O LEU A 26 11.428 4.973 -8.346 1.00 0.73 O ATOM 397 CB LEU A 26 11.537 4.732 -5.114 1.00 0.69 C ATOM 398 CG LEU A 26 10.344 5.369 -4.396 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.412 4.296 -3.846 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.836 6.273 -3.277 1.00 1.48 C ATOM 0 H LEU A 26 13.232 3.536 -6.658 1.00 0.50 H new ATOM 0 HA LEU A 26 10.396 3.105 -5.952 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.129 4.184 -4.380 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.171 5.529 -5.504 1.00 0.69 H new ATOM 0 HG LEU A 26 9.783 5.969 -5.113 1.00 0.87 H new ATOM 0 HD11 LEU A 26 8.571 4.769 -3.340 1.00 1.52 H new ATOM 0 HD12 LEU A 26 9.042 3.680 -4.666 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.956 3.670 -3.139 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.982 6.723 -2.771 1.00 1.48 H new ATOM 0 HD22 LEU A 26 11.414 5.686 -2.563 1.00 1.48 H new ATOM 0 HD23 LEU A 26 11.466 7.059 -3.694 1.00 1.48 H new ATOM 412 N HIS A 27 9.355 4.743 -7.510 1.00 0.56 N ATOM 413 CA HIS A 27 8.698 5.510 -8.559 1.00 0.67 C ATOM 414 C HIS A 27 8.172 6.822 -8.001 1.00 0.68 C ATOM 415 O HIS A 27 7.369 6.826 -7.068 1.00 0.95 O ATOM 416 CB HIS A 27 7.502 4.740 -9.125 1.00 1.23 C ATOM 417 CG HIS A 27 7.735 4.013 -10.412 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.751 4.635 -11.639 1.00 0.97 N ATOM 419 CD2 HIS A 27 7.898 2.700 -10.660 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.917 3.730 -12.585 1.00 1.30 C ATOM 421 NE2 HIS A 27 8.008 2.544 -12.018 1.00 1.34 N ATOM 0 H HIS A 27 8.715 4.363 -6.813 1.00 0.56 H new ATOM 0 HA HIS A 27 9.435 5.691 -9.341 1.00 0.67 H new ATOM 0 HB2 HIS A 27 7.175 4.017 -8.377 1.00 1.23 H new ATOM 0 HB3 HIS A 27 6.681 5.442 -9.271 1.00 1.23 H new ATOM 0 HD1 HIS A 27 7.650 5.638 -11.793 1.00 0.97 H new ATOM 0 HD2 HIS A 27 7.935 1.912 -9.923 1.00 0.81 H new ATOM 0 HE1 HIS A 27 7.969 3.928 -13.645 1.00 1.30 H new ATOM 430 N SER A 28 8.618 7.921 -8.571 1.00 0.75 N ATOM 431 CA SER A 28 8.031 9.210 -8.281 1.00 1.14 C ATOM 432 C SER A 28 7.440 9.740 -9.580 1.00 1.03 C ATOM 433 O SER A 28 8.164 10.225 -10.450 1.00 1.34 O ATOM 434 CB SER A 28 9.080 10.169 -7.710 1.00 1.74 C ATOM 435 OG SER A 28 8.469 11.235 -7.000 1.00 2.30 O ATOM 0 H SER A 28 9.388 7.947 -9.240 1.00 0.75 H new ATOM 0 HA SER A 28 7.251 9.118 -7.525 1.00 1.14 H new ATOM 0 HB2 SER A 28 9.751 9.624 -7.046 1.00 1.74 H new ATOM 0 HB3 SER A 28 9.689 10.570 -8.520 1.00 1.74 H new ATOM 0 HG SER A 28 9.161 11.831 -6.645 1.00 2.30 H new ATOM 529 N GLN A 35 4.088 7.158 -4.016 1.00 0.74 N ATOM 530 CA GLN A 35 5.312 6.473 -4.408 1.00 0.59 C ATOM 531 C GLN A 35 5.005 5.035 -4.806 1.00 0.52 C ATOM 532 O GLN A 35 4.336 4.308 -4.073 1.00 0.58 O ATOM 533 CB GLN A 35 6.332 6.512 -3.267 1.00 0.58 C ATOM 534 CG GLN A 35 6.754 7.922 -2.873 1.00 0.82 C ATOM 535 CD GLN A 35 7.597 8.612 -3.932 1.00 0.75 C ATOM 536 OE1 GLN A 35 8.820 8.529 -3.913 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.955 9.296 -4.867 1.00 0.78 N ATOM 0 HA GLN A 35 5.741 6.985 -5.269 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.909 6.012 -2.396 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.216 5.946 -3.562 1.00 0.58 H new ATOM 0 HG2 GLN A 35 5.864 8.520 -2.680 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.317 7.879 -1.941 1.00 0.82 H new ATOM 0 HE21 GLN A 35 5.936 9.345 -4.854 1.00 0.78 H new ATOM 0 HE22 GLN A 35 7.479 9.774 -5.600 1.00 0.78 H new ATOM 546 N PHE A 36 5.478 4.642 -5.975 1.00 0.47 N ATOM 547 CA PHE A 36 5.235 3.299 -6.493 1.00 0.43 C ATOM 548 C PHE A 36 6.531 2.501 -6.458 1.00 0.39 C ATOM 549 O PHE A 36 7.613 3.080 -6.423 1.00 0.45 O ATOM 550 CB PHE A 36 4.711 3.363 -7.935 1.00 0.48 C ATOM 551 CG PHE A 36 3.554 4.300 -8.138 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.767 5.655 -8.323 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.251 3.826 -8.135 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.705 6.520 -8.503 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.185 4.685 -8.316 1.00 0.81 C ATOM 556 CZ PHE A 36 1.416 6.033 -8.530 1.00 0.87 C ATOM 0 H PHE A 36 6.036 5.234 -6.590 1.00 0.47 H new ATOM 0 HA PHE A 36 4.484 2.813 -5.870 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.527 3.666 -8.591 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.409 2.362 -8.243 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.776 6.041 -8.327 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.067 2.772 -7.989 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.885 7.578 -8.623 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.174 4.306 -8.291 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.588 6.701 -8.718 1.00 0.87 H new ATOM 566 N ILE A 37 6.434 1.183 -6.451 1.00 0.36 N ATOM 567 CA ILE A 37 7.624 0.346 -6.493 1.00 0.33 C ATOM 568 C ILE A 37 7.874 -0.139 -7.917 1.00 0.33 C ATOM 569 O ILE A 37 7.048 -0.844 -8.493 1.00 0.38 O ATOM 570 CB ILE A 37 7.497 -0.871 -5.552 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.101 -0.422 -4.143 1.00 0.39 C ATOM 572 CG2 ILE A 37 8.802 -1.657 -5.517 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.106 0.502 -3.486 1.00 0.38 C ATOM 0 H ILE A 37 5.552 0.671 -6.417 1.00 0.36 H new ATOM 0 HA ILE A 37 8.464 0.953 -6.156 1.00 0.33 H new ATOM 0 HB ILE A 37 6.713 -1.523 -5.937 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.136 0.083 -4.191 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.969 -1.303 -3.516 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.694 -2.511 -4.849 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.042 -2.009 -6.520 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.605 -1.014 -5.157 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.753 0.775 -2.491 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.067 -0.005 -3.404 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.222 1.402 -4.090 1.00 0.38 H new ATOM 585 N ARG A 38 9.004 0.267 -8.491 1.00 0.34 N ATOM 586 CA ARG A 38 9.360 -0.151 -9.843 1.00 0.41 C ATOM 587 C ARG A 38 9.874 -1.576 -9.841 1.00 0.40 C ATOM 588 O ARG A 38 9.506 -2.383 -10.692 1.00 0.49 O ATOM 589 CB ARG A 38 10.427 0.761 -10.447 1.00 0.50 C ATOM 590 CG ARG A 38 10.666 0.471 -11.918 1.00 0.67 C ATOM 591 CD ARG A 38 11.602 1.475 -12.554 1.00 1.24 C ATOM 592 NE ARG A 38 11.624 1.326 -14.007 1.00 1.56 N ATOM 593 CZ ARG A 38 12.604 1.753 -14.797 1.00 2.17 C ATOM 594 NH1 ARG A 38 13.680 2.332 -14.282 1.00 2.83 N ATOM 595 NH2 ARG A 38 12.510 1.586 -16.110 1.00 2.62 N ATOM 0 H ARG A 38 9.685 0.881 -8.044 1.00 0.34 H new ATOM 0 HA ARG A 38 8.457 -0.086 -10.449 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.123 1.801 -10.329 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.361 0.638 -9.898 1.00 0.50 H new ATOM 0 HG2 ARG A 38 11.082 -0.530 -12.026 1.00 0.67 H new ATOM 0 HG3 ARG A 38 9.713 0.479 -12.448 1.00 0.67 H new ATOM 0 HD2 ARG A 38 11.288 2.486 -12.294 1.00 1.24 H new ATOM 0 HD3 ARG A 38 12.608 1.342 -12.156 1.00 1.24 H new ATOM 0 HE ARG A 38 10.830 0.861 -14.447 1.00 1.56 H new ATOM 0 HH11 ARG A 38 13.760 2.453 -13.272 1.00 2.83 H new ATOM 0 HH12 ARG A 38 14.427 2.657 -14.895 1.00 2.83 H new ATOM 0 HH21 ARG A 38 11.688 1.132 -16.509 1.00 2.62 H new ATOM 0 HH22 ARG A 38 13.259 1.912 -16.720 1.00 2.62 H new ATOM 609 N SER A 39 10.732 -1.869 -8.883 1.00 0.36 N ATOM 610 CA SER A 39 11.359 -3.169 -8.790 1.00 0.40 C ATOM 611 C SER A 39 11.973 -3.332 -7.412 1.00 0.32 C ATOM 612 O SER A 39 12.282 -2.347 -6.745 1.00 0.37 O ATOM 613 CB SER A 39 12.432 -3.308 -9.876 1.00 0.54 C ATOM 614 OG SER A 39 12.986 -4.611 -9.910 1.00 1.26 O ATOM 0 H SER A 39 11.012 -1.215 -8.152 1.00 0.36 H new ATOM 0 HA SER A 39 10.612 -3.949 -8.941 1.00 0.40 H new ATOM 0 HB2 SER A 39 11.997 -3.073 -10.848 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.225 -2.581 -9.698 1.00 0.54 H new ATOM 0 HG SER A 39 13.664 -4.660 -10.616 1.00 1.26 H new ATOM 620 N VAL A 40 12.124 -4.564 -6.979 1.00 0.36 N ATOM 621 CA VAL A 40 12.759 -4.846 -5.708 1.00 0.30 C ATOM 622 C VAL A 40 13.936 -5.785 -5.924 1.00 0.31 C ATOM 623 O VAL A 40 13.814 -6.801 -6.617 1.00 0.37 O ATOM 624 CB VAL A 40 11.761 -5.440 -4.683 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.136 -6.729 -5.186 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.435 -5.672 -3.342 1.00 0.32 C ATOM 0 H VAL A 40 11.815 -5.391 -7.490 1.00 0.36 H new ATOM 0 HA VAL A 40 13.119 -3.906 -5.291 1.00 0.30 H new ATOM 0 HB VAL A 40 10.962 -4.710 -4.553 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.442 -7.113 -4.438 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.598 -6.535 -6.114 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.918 -7.466 -5.368 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.714 -6.089 -2.640 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.264 -6.368 -3.467 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.812 -4.725 -2.955 1.00 0.32 H new ATOM 636 N ASP A 41 15.084 -5.421 -5.372 1.00 0.35 N ATOM 637 CA ASP A 41 16.273 -6.251 -5.475 1.00 0.45 C ATOM 638 C ASP A 41 16.050 -7.561 -4.740 1.00 0.48 C ATOM 639 O ASP A 41 15.796 -7.568 -3.535 1.00 0.51 O ATOM 640 CB ASP A 41 17.496 -5.524 -4.907 1.00 0.54 C ATOM 641 CG ASP A 41 17.964 -4.388 -5.797 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.710 -4.653 -6.765 1.00 1.32 O ATOM 643 OD2 ASP A 41 17.599 -3.220 -5.534 1.00 2.28 O ATOM 0 H ASP A 41 15.216 -4.556 -4.848 1.00 0.35 H new ATOM 0 HA ASP A 41 16.462 -6.459 -6.528 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.254 -5.131 -3.919 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.310 -6.237 -4.776 1.00 0.54 H new ATOM 648 N PRO A 42 16.124 -8.688 -5.461 1.00 0.58 N ATOM 649 CA PRO A 42 15.818 -10.003 -4.902 1.00 0.69 C ATOM 650 C PRO A 42 16.757 -10.392 -3.764 1.00 0.69 C ATOM 651 O PRO A 42 17.965 -10.134 -3.823 1.00 1.17 O ATOM 652 CB PRO A 42 15.984 -10.957 -6.089 1.00 0.84 C ATOM 653 CG PRO A 42 16.835 -10.222 -7.066 1.00 0.93 C ATOM 654 CD PRO A 42 16.522 -8.769 -6.878 1.00 0.69 C ATOM 0 HA PRO A 42 14.821 -10.027 -4.462 1.00 0.69 H new ATOM 0 HB2 PRO A 42 16.455 -11.890 -5.781 1.00 0.84 H new ATOM 0 HB3 PRO A 42 15.019 -11.216 -6.524 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.892 -10.419 -6.888 1.00 0.93 H new ATOM 0 HG3 PRO A 42 16.619 -10.538 -8.086 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.387 -8.141 -7.089 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.721 -8.441 -7.540 1.00 0.69 H new ATOM 662 N ASP A 43 16.180 -11.015 -2.737 1.00 0.75 N ATOM 663 CA ASP A 43 16.917 -11.474 -1.557 1.00 0.87 C ATOM 664 C ASP A 43 17.495 -10.312 -0.761 1.00 0.70 C ATOM 665 O ASP A 43 18.615 -10.382 -0.249 1.00 0.86 O ATOM 666 CB ASP A 43 18.017 -12.471 -1.938 1.00 1.14 C ATOM 667 CG ASP A 43 17.456 -13.815 -2.351 1.00 1.69 C ATOM 668 OD1 ASP A 43 17.145 -14.632 -1.457 1.00 1.92 O ATOM 669 OD2 ASP A 43 17.301 -14.057 -3.567 1.00 2.40 O ATOM 0 H ASP A 43 15.181 -11.217 -2.699 1.00 0.75 H new ATOM 0 HA ASP A 43 16.200 -11.988 -0.916 1.00 0.87 H new ATOM 0 HB2 ASP A 43 18.609 -12.060 -2.756 1.00 1.14 H new ATOM 0 HB3 ASP A 43 18.691 -12.606 -1.092 1.00 1.14 H new ATOM 674 N SER A 44 16.720 -9.244 -0.658 1.00 0.57 N ATOM 675 CA SER A 44 17.094 -8.098 0.152 1.00 0.48 C ATOM 676 C SER A 44 16.069 -7.909 1.264 1.00 0.40 C ATOM 677 O SER A 44 15.026 -8.568 1.248 1.00 0.39 O ATOM 678 CB SER A 44 17.164 -6.837 -0.715 1.00 0.47 C ATOM 679 OG SER A 44 15.873 -6.474 -1.182 1.00 0.46 O ATOM 0 H SER A 44 15.821 -9.148 -1.130 1.00 0.57 H new ATOM 0 HA SER A 44 18.077 -8.274 0.590 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.591 -6.017 -0.138 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.827 -7.009 -1.563 1.00 0.47 H new ATOM 0 HG SER A 44 15.646 -7.014 -1.968 1.00 0.46 H new ATOM 685 N PRO A 45 16.333 -7.031 2.248 1.00 0.43 N ATOM 686 CA PRO A 45 15.352 -6.705 3.283 1.00 0.45 C ATOM 687 C PRO A 45 13.998 -6.313 2.687 1.00 0.38 C ATOM 688 O PRO A 45 12.946 -6.632 3.241 1.00 0.39 O ATOM 689 CB PRO A 45 15.972 -5.513 4.028 1.00 0.57 C ATOM 690 CG PRO A 45 17.167 -5.102 3.226 1.00 0.65 C ATOM 691 CD PRO A 45 17.598 -6.316 2.457 1.00 0.52 C ATOM 0 HA PRO A 45 15.152 -7.560 3.929 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.259 -4.693 4.114 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.260 -5.793 5.041 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.919 -4.283 2.551 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.968 -4.749 3.875 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.073 -6.050 1.513 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.315 -6.917 3.017 1.00 0.52 H new ATOM 699 N ALA A 46 14.033 -5.641 1.539 1.00 0.35 N ATOM 700 CA ALA A 46 12.817 -5.195 0.873 1.00 0.33 C ATOM 701 C ALA A 46 12.041 -6.379 0.305 1.00 0.30 C ATOM 702 O ALA A 46 10.835 -6.497 0.505 1.00 0.31 O ATOM 703 CB ALA A 46 13.157 -4.201 -0.226 1.00 0.36 C ATOM 0 H ALA A 46 14.894 -5.394 1.051 1.00 0.35 H new ATOM 0 HA ALA A 46 12.183 -4.701 1.609 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.241 -3.874 -0.717 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.664 -3.339 0.207 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.811 -4.676 -0.957 1.00 0.36 H new ATOM 709 N GLU A 47 12.742 -7.262 -0.386 1.00 0.31 N ATOM 710 CA GLU A 47 12.130 -8.468 -0.933 1.00 0.33 C ATOM 711 C GLU A 47 11.587 -9.346 0.198 1.00 0.34 C ATOM 712 O GLU A 47 10.492 -9.899 0.101 1.00 0.40 O ATOM 713 CB GLU A 47 13.171 -9.228 -1.756 1.00 0.40 C ATOM 714 CG GLU A 47 12.741 -10.614 -2.212 1.00 0.53 C ATOM 715 CD GLU A 47 11.890 -10.589 -3.462 1.00 1.12 C ATOM 716 OE1 GLU A 47 12.449 -10.362 -4.554 1.00 1.51 O ATOM 717 OE2 GLU A 47 10.669 -10.829 -3.370 1.00 2.01 O ATOM 0 H GLU A 47 13.738 -7.169 -0.584 1.00 0.31 H new ATOM 0 HA GLU A 47 11.295 -8.195 -1.578 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.422 -8.634 -2.635 1.00 0.40 H new ATOM 0 HB3 GLU A 47 14.082 -9.323 -1.165 1.00 0.40 H new ATOM 0 HG2 GLU A 47 13.628 -11.221 -2.395 1.00 0.53 H new ATOM 0 HG3 GLU A 47 12.184 -11.097 -1.410 1.00 0.53 H new ATOM 724 N ALA A 48 12.352 -9.437 1.283 1.00 0.34 N ATOM 725 CA ALA A 48 11.970 -10.249 2.434 1.00 0.38 C ATOM 726 C ALA A 48 10.794 -9.636 3.195 1.00 0.37 C ATOM 727 O ALA A 48 10.062 -10.339 3.887 1.00 0.47 O ATOM 728 CB ALA A 48 13.160 -10.435 3.367 1.00 0.44 C ATOM 0 H ALA A 48 13.245 -8.955 1.389 1.00 0.34 H new ATOM 0 HA ALA A 48 11.651 -11.222 2.060 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.861 -11.042 4.221 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.968 -10.934 2.832 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.504 -9.462 3.717 1.00 0.44 H new ATOM 734 N SER A 49 10.618 -8.323 3.070 1.00 0.31 N ATOM 735 CA SER A 49 9.523 -7.641 3.741 1.00 0.32 C ATOM 736 C SER A 49 8.206 -7.909 3.015 1.00 0.35 C ATOM 737 O SER A 49 7.122 -7.666 3.552 1.00 0.40 O ATOM 738 CB SER A 49 9.809 -6.134 3.822 1.00 0.32 C ATOM 739 OG SER A 49 9.670 -5.499 2.564 1.00 0.31 O ATOM 0 H SER A 49 11.218 -7.715 2.512 1.00 0.31 H new ATOM 0 HA SER A 49 9.434 -8.028 4.756 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.128 -5.674 4.538 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.820 -5.977 4.198 1.00 0.32 H new ATOM 0 HG SER A 49 9.806 -6.156 1.849 1.00 0.31 H new ATOM 745 N GLY A 50 8.312 -8.435 1.798 1.00 0.36 N ATOM 746 CA GLY A 50 7.130 -8.749 1.023 1.00 0.43 C ATOM 747 C GLY A 50 6.785 -7.660 0.029 1.00 0.43 C ATOM 748 O GLY A 50 5.644 -7.559 -0.418 1.00 0.62 O ATOM 0 H GLY A 50 9.196 -8.648 1.337 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.287 -9.687 0.490 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.287 -8.902 1.697 1.00 0.43 H new ATOM 752 N LEU A 51 7.773 -6.847 -0.318 1.00 0.41 N ATOM 753 CA LEU A 51 7.566 -5.748 -1.249 1.00 0.40 C ATOM 754 C LEU A 51 7.553 -6.266 -2.684 1.00 0.48 C ATOM 755 O LEU A 51 8.422 -7.046 -3.079 1.00 0.65 O ATOM 756 CB LEU A 51 8.665 -4.697 -1.073 1.00 0.38 C ATOM 757 CG LEU A 51 8.424 -3.368 -1.787 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.182 -2.690 -1.231 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.639 -2.466 -1.641 1.00 0.37 C ATOM 0 H LEU A 51 8.727 -6.929 0.032 1.00 0.41 H new ATOM 0 HA LEU A 51 6.602 -5.286 -1.039 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.788 -4.500 -0.008 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.605 -5.116 -1.431 1.00 0.38 H new ATOM 0 HG LEU A 51 8.264 -3.561 -2.848 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.021 -1.744 -1.748 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.317 -3.336 -1.380 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.316 -2.503 -0.166 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.455 -1.522 -2.154 1.00 0.37 H new ATOM 0 HD22 LEU A 51 9.825 -2.274 -0.584 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.509 -2.954 -2.080 1.00 0.37 H new ATOM 771 N ARG A 52 6.568 -5.841 -3.460 1.00 0.53 N ATOM 772 CA ARG A 52 6.441 -6.297 -4.834 1.00 0.65 C ATOM 773 C ARG A 52 6.643 -5.131 -5.799 1.00 0.55 C ATOM 774 O ARG A 52 6.429 -3.974 -5.436 1.00 0.61 O ATOM 775 CB ARG A 52 5.071 -6.941 -5.047 1.00 0.86 C ATOM 776 CG ARG A 52 5.053 -7.967 -6.164 1.00 1.23 C ATOM 777 CD ARG A 52 5.929 -9.165 -5.825 1.00 2.05 C ATOM 778 NE ARG A 52 5.400 -9.917 -4.689 1.00 2.59 N ATOM 779 CZ ARG A 52 6.149 -10.484 -3.743 1.00 3.57 C ATOM 780 NH1 ARG A 52 7.476 -10.387 -3.778 1.00 4.13 N ATOM 781 NH2 ARG A 52 5.559 -11.157 -2.763 1.00 4.38 N ATOM 0 H ARG A 52 5.847 -5.183 -3.162 1.00 0.53 H new ATOM 0 HA ARG A 52 7.210 -7.043 -5.032 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.755 -7.419 -4.120 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.342 -6.161 -5.268 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.030 -8.299 -6.340 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.402 -7.508 -7.089 1.00 1.23 H new ATOM 0 HD2 ARG A 52 6.001 -9.820 -6.693 1.00 2.05 H new ATOM 0 HD3 ARG A 52 6.939 -8.824 -5.597 1.00 2.05 H new ATOM 0 HE ARG A 52 4.387 -10.015 -4.615 1.00 2.59 H new ATOM 0 HH11 ARG A 52 7.930 -9.875 -4.534 1.00 4.13 H new ATOM 0 HH12 ARG A 52 8.039 -10.825 -3.049 1.00 4.13 H new ATOM 0 HH21 ARG A 52 4.542 -11.236 -2.739 1.00 4.38 H new ATOM 0 HH22 ARG A 52 6.122 -11.595 -2.034 1.00 4.38 H new ATOM 795 N ALA A 53 7.029 -5.443 -7.035 1.00 0.53 N ATOM 796 CA ALA A 53 7.393 -4.423 -8.019 1.00 0.54 C ATOM 797 C ALA A 53 6.174 -3.917 -8.786 1.00 0.61 C ATOM 798 O ALA A 53 6.273 -3.524 -9.950 1.00 1.44 O ATOM 799 CB ALA A 53 8.426 -4.981 -8.988 1.00 0.68 C ATOM 0 H ALA A 53 7.098 -6.400 -7.381 1.00 0.53 H new ATOM 0 HA ALA A 53 7.819 -3.577 -7.480 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.692 -4.216 -9.717 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.317 -5.282 -8.437 1.00 0.68 H new ATOM 0 HB3 ALA A 53 8.010 -5.846 -9.505 1.00 0.68 H new ATOM 805 N GLN A 54 5.026 -3.932 -8.130 1.00 0.65 N ATOM 806 CA GLN A 54 3.789 -3.441 -8.723 1.00 0.74 C ATOM 807 C GLN A 54 2.903 -2.843 -7.645 1.00 0.59 C ATOM 808 O GLN A 54 1.704 -2.640 -7.840 1.00 0.67 O ATOM 809 CB GLN A 54 3.056 -4.569 -9.445 1.00 0.99 C ATOM 810 CG GLN A 54 3.058 -5.873 -8.674 1.00 1.46 C ATOM 811 CD GLN A 54 1.666 -6.377 -8.356 1.00 2.34 C ATOM 812 OE1 GLN A 54 1.050 -7.074 -9.163 1.00 2.99 O ATOM 813 NE2 GLN A 54 1.180 -6.065 -7.165 1.00 3.06 N ATOM 0 H GLN A 54 4.923 -4.282 -7.177 1.00 0.65 H new ATOM 0 HA GLN A 54 4.032 -2.669 -9.453 1.00 0.74 H new ATOM 0 HB2 GLN A 54 2.026 -4.265 -9.628 1.00 0.99 H new ATOM 0 HB3 GLN A 54 3.519 -4.730 -10.419 1.00 0.99 H new ATOM 0 HG2 GLN A 54 3.588 -6.629 -9.252 1.00 1.46 H new ATOM 0 HG3 GLN A 54 3.610 -5.738 -7.744 1.00 1.46 H new ATOM 0 HE21 GLN A 54 1.725 -5.484 -6.528 1.00 3.06 H new ATOM 0 HE22 GLN A 54 0.260 -6.405 -6.884 1.00 3.06 H new ATOM 822 N ASP A 55 3.518 -2.552 -6.513 1.00 0.47 N ATOM 823 CA ASP A 55 2.800 -2.078 -5.344 1.00 0.45 C ATOM 824 C ASP A 55 3.015 -0.580 -5.161 1.00 0.39 C ATOM 825 O ASP A 55 3.981 -0.016 -5.684 1.00 0.48 O ATOM 826 CB ASP A 55 3.270 -2.839 -4.101 1.00 0.50 C ATOM 827 CG ASP A 55 2.748 -4.267 -4.034 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.629 -4.924 -5.094 1.00 1.02 O ATOM 829 OD2 ASP A 55 2.457 -4.735 -2.913 1.00 1.01 O ATOM 0 H ASP A 55 4.525 -2.637 -6.378 1.00 0.47 H new ATOM 0 HA ASP A 55 1.734 -2.258 -5.487 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.360 -2.857 -4.086 1.00 0.50 H new ATOM 0 HB3 ASP A 55 2.947 -2.300 -3.210 1.00 0.50 H new ATOM 834 N ARG A 56 2.120 0.064 -4.425 1.00 0.38 N ATOM 835 CA ARG A 56 2.196 1.498 -4.219 1.00 0.42 C ATOM 836 C ARG A 56 2.129 1.821 -2.727 1.00 0.39 C ATOM 837 O ARG A 56 1.256 1.324 -2.015 1.00 0.39 O ATOM 838 CB ARG A 56 1.061 2.179 -4.992 1.00 0.56 C ATOM 839 CG ARG A 56 1.059 3.694 -4.910 1.00 0.78 C ATOM 840 CD ARG A 56 0.019 4.184 -3.924 1.00 0.79 C ATOM 841 NE ARG A 56 -1.309 3.643 -4.221 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.314 3.661 -3.360 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.124 4.176 -2.157 1.00 1.51 N ATOM 844 NH2 ARG A 56 -3.489 3.144 -3.693 1.00 1.57 N ATOM 0 H ARG A 56 1.332 -0.388 -3.961 1.00 0.38 H new ATOM 0 HA ARG A 56 3.147 1.876 -4.594 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.126 1.885 -6.040 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.108 1.807 -4.615 1.00 0.56 H new ATOM 0 HG2 ARG A 56 2.045 4.047 -4.608 1.00 0.78 H new ATOM 0 HG3 ARG A 56 0.858 4.115 -5.895 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.311 3.896 -2.914 1.00 0.79 H new ATOM 0 HD3 ARG A 56 -0.019 5.273 -3.947 1.00 0.79 H new ATOM 0 HE ARG A 56 -1.468 3.230 -5.140 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.211 4.553 -1.902 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.890 4.196 -1.484 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.621 2.730 -4.616 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -4.261 3.160 -3.026 1.00 1.57 H new ATOM 858 N ILE A 57 3.060 2.652 -2.270 1.00 0.40 N ATOM 859 CA ILE A 57 3.195 2.975 -0.852 1.00 0.38 C ATOM 860 C ILE A 57 2.107 3.942 -0.400 1.00 0.38 C ATOM 861 O ILE A 57 1.818 4.933 -1.076 1.00 0.49 O ATOM 862 CB ILE A 57 4.579 3.594 -0.551 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.695 2.678 -1.063 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.740 3.837 0.943 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.085 3.252 -0.882 1.00 0.68 C ATOM 0 H ILE A 57 3.741 3.120 -2.869 1.00 0.40 H new ATOM 0 HA ILE A 57 3.093 2.040 -0.301 1.00 0.38 H new ATOM 0 HB ILE A 57 4.649 4.551 -1.067 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.636 1.722 -0.543 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.530 2.476 -2.121 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.720 4.273 1.137 1.00 0.45 H new ATOM 0 HG22 ILE A 57 3.964 4.521 1.286 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.652 2.891 1.477 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.822 2.548 -1.267 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.163 4.194 -1.426 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.271 3.428 0.178 1.00 0.68 H new ATOM 877 N VAL A 58 1.496 3.632 0.734 1.00 0.29 N ATOM 878 CA VAL A 58 0.481 4.488 1.322 1.00 0.32 C ATOM 879 C VAL A 58 0.967 5.045 2.659 1.00 0.30 C ATOM 880 O VAL A 58 0.840 6.238 2.931 1.00 0.37 O ATOM 881 CB VAL A 58 -0.840 3.733 1.559 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.990 4.718 1.648 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.090 2.693 0.476 1.00 0.62 C ATOM 0 H VAL A 58 1.689 2.785 1.268 1.00 0.29 H new ATOM 0 HA VAL A 58 0.301 5.298 0.615 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.764 3.198 2.505 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.921 4.176 1.816 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.816 5.406 2.475 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.060 5.280 0.717 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.031 2.179 0.675 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.143 3.185 -0.495 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.275 1.969 0.472 1.00 0.62 H new ATOM 893 N GLU A 59 1.525 4.172 3.489 1.00 0.24 N ATOM 894 CA GLU A 59 2.047 4.576 4.793 1.00 0.25 C ATOM 895 C GLU A 59 3.513 4.190 4.928 1.00 0.22 C ATOM 896 O GLU A 59 3.958 3.189 4.360 1.00 0.23 O ATOM 897 CB GLU A 59 1.263 3.935 5.950 1.00 0.29 C ATOM 898 CG GLU A 59 -0.148 4.476 6.149 1.00 0.40 C ATOM 899 CD GLU A 59 -0.774 3.989 7.448 1.00 0.44 C ATOM 900 OE1 GLU A 59 -0.331 4.435 8.527 1.00 0.89 O ATOM 901 OE2 GLU A 59 -1.703 3.155 7.402 1.00 0.43 O ATOM 0 H GLU A 59 1.629 3.178 3.284 1.00 0.24 H new ATOM 0 HA GLU A 59 1.937 5.659 4.851 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.203 2.860 5.777 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.825 4.078 6.873 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.121 5.566 6.147 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.774 4.171 5.310 1.00 0.40 H new ATOM 908 N VAL A 60 4.257 4.995 5.670 1.00 0.22 N ATOM 909 CA VAL A 60 5.637 4.678 6.011 1.00 0.21 C ATOM 910 C VAL A 60 5.808 4.730 7.520 1.00 0.22 C ATOM 911 O VAL A 60 5.554 5.762 8.134 1.00 0.27 O ATOM 912 CB VAL A 60 6.651 5.648 5.360 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.073 5.330 5.814 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.559 5.587 3.844 1.00 0.66 C ATOM 0 H VAL A 60 3.925 5.881 6.051 1.00 0.22 H new ATOM 0 HA VAL A 60 5.841 3.679 5.627 1.00 0.21 H new ATOM 0 HB VAL A 60 6.402 6.659 5.682 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.769 6.025 5.344 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.139 5.428 6.898 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.328 4.310 5.525 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.281 6.277 3.408 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.776 4.573 3.507 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.554 5.866 3.529 1.00 0.66 H new ATOM 924 N ASN A 61 6.194 3.609 8.116 1.00 0.25 N ATOM 925 CA ASN A 61 6.458 3.536 9.556 1.00 0.30 C ATOM 926 C ASN A 61 5.215 3.893 10.371 1.00 0.36 C ATOM 927 O ASN A 61 5.311 4.267 11.537 1.00 0.47 O ATOM 928 CB ASN A 61 7.617 4.465 9.935 1.00 0.39 C ATOM 929 CG ASN A 61 8.941 4.033 9.332 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.988 3.357 8.308 1.00 1.17 O ATOM 931 ND2 ASN A 61 10.030 4.421 9.964 1.00 0.61 N ATOM 0 H ASN A 61 6.334 2.727 7.623 1.00 0.25 H new ATOM 0 HA ASN A 61 6.732 2.507 9.790 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.387 5.478 9.605 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.711 4.496 11.020 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.948 4.160 9.605 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.955 4.982 10.812 1.00 0.61 H new ATOM 938 N GLY A 62 4.049 3.776 9.749 1.00 0.37 N ATOM 939 CA GLY A 62 2.809 4.034 10.450 1.00 0.50 C ATOM 940 C GLY A 62 2.315 5.462 10.314 1.00 0.51 C ATOM 941 O GLY A 62 1.384 5.867 11.011 1.00 0.66 O ATOM 0 H GLY A 62 3.941 3.507 8.771 1.00 0.37 H new ATOM 0 HA2 GLY A 62 2.042 3.357 10.074 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.946 3.806 11.507 1.00 0.50 H new ATOM 945 N VAL A 63 2.937 6.242 9.443 1.00 0.42 N ATOM 946 CA VAL A 63 2.426 7.568 9.126 1.00 0.50 C ATOM 947 C VAL A 63 1.997 7.621 7.661 1.00 0.43 C ATOM 948 O VAL A 63 2.686 7.106 6.774 1.00 0.39 O ATOM 949 CB VAL A 63 3.446 8.691 9.452 1.00 0.61 C ATOM 950 CG1 VAL A 63 4.724 8.547 8.645 1.00 0.98 C ATOM 951 CG2 VAL A 63 2.828 10.063 9.231 1.00 1.17 C ATOM 0 H VAL A 63 3.789 5.983 8.946 1.00 0.42 H new ATOM 0 HA VAL A 63 1.558 7.750 9.760 1.00 0.50 H new ATOM 0 HB VAL A 63 3.710 8.592 10.505 1.00 0.61 H new ATOM 0 HG11 VAL A 63 5.411 9.353 8.904 1.00 0.98 H new ATOM 0 HG12 VAL A 63 5.190 7.587 8.869 1.00 0.98 H new ATOM 0 HG13 VAL A 63 4.490 8.597 7.582 1.00 0.98 H new ATOM 0 HG21 VAL A 63 3.561 10.834 9.466 1.00 1.17 H new ATOM 0 HG22 VAL A 63 2.520 10.160 8.190 1.00 1.17 H new ATOM 0 HG23 VAL A 63 1.959 10.179 9.879 1.00 1.17 H new ATOM 961 N CYS A 64 0.841 8.224 7.427 1.00 0.49 N ATOM 962 CA CYS A 64 0.212 8.232 6.119 1.00 0.49 C ATOM 963 C CYS A 64 0.918 9.187 5.164 1.00 0.47 C ATOM 964 O CYS A 64 1.279 10.304 5.534 1.00 0.51 O ATOM 965 CB CYS A 64 -1.259 8.608 6.275 1.00 0.59 C ATOM 966 SG CYS A 64 -1.536 10.085 7.280 1.00 1.68 S ATOM 0 H CYS A 64 0.313 8.723 8.143 1.00 0.49 H new ATOM 0 HA CYS A 64 0.289 7.235 5.686 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.690 8.767 5.286 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.792 7.770 6.724 1.00 0.59 H new ATOM 0 HG CYS A 64 -2.811 10.327 7.354 1.00 1.68 H new ATOM 972 N MET A 65 1.113 8.740 3.933 1.00 0.48 N ATOM 973 CA MET A 65 1.831 9.523 2.945 1.00 0.53 C ATOM 974 C MET A 65 0.904 10.070 1.874 1.00 0.61 C ATOM 975 O MET A 65 0.974 9.678 0.710 1.00 0.81 O ATOM 976 CB MET A 65 2.952 8.699 2.313 1.00 0.61 C ATOM 977 CG MET A 65 4.090 8.432 3.273 1.00 0.63 C ATOM 978 SD MET A 65 4.812 9.958 3.900 1.00 0.61 S ATOM 979 CE MET A 65 5.821 9.319 5.227 1.00 0.74 C ATOM 0 H MET A 65 0.782 7.836 3.596 1.00 0.48 H new ATOM 0 HA MET A 65 2.271 10.374 3.464 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.547 7.750 1.963 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.335 9.224 1.438 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.728 7.832 4.108 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.859 7.846 2.770 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.050 10.121 5.929 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.281 8.526 5.745 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.749 8.919 4.818 1.00 0.74 H new ATOM 989 N GLU A 66 0.040 10.984 2.285 1.00 0.83 N ATOM 990 CA GLU A 66 -0.760 11.779 1.360 1.00 1.01 C ATOM 991 C GLU A 66 -0.867 13.202 1.881 1.00 1.08 C ATOM 992 O GLU A 66 -1.162 13.423 3.056 1.00 1.86 O ATOM 993 CB GLU A 66 -2.146 11.173 1.133 1.00 1.29 C ATOM 994 CG GLU A 66 -2.167 10.139 0.017 1.00 2.19 C ATOM 995 CD GLU A 66 -1.553 10.672 -1.268 1.00 3.03 C ATOM 996 OE1 GLU A 66 -1.981 11.746 -1.741 1.00 3.33 O ATOM 997 OE2 GLU A 66 -0.664 10.000 -1.834 1.00 3.75 O ATOM 0 H GLU A 66 -0.128 11.198 3.268 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.260 11.784 0.392 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.489 10.709 2.057 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.851 11.970 0.896 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -1.623 9.250 0.337 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.196 9.832 -0.173 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.605 14.162 1.007 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.476 15.545 1.434 1.00 1.36 C ATOM 1006 C GLY A 67 0.968 15.861 1.761 1.00 1.24 C ATOM 1007 O GLY A 67 1.318 16.979 2.144 1.00 1.47 O ATOM 0 H GLY A 67 -0.479 14.010 0.006 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.832 16.210 0.647 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.101 15.723 2.309 1.00 1.36 H new ATOM 1011 N LYS A 68 1.798 14.843 1.605 1.00 0.97 N ATOM 1012 CA LYS A 68 3.227 14.933 1.859 1.00 0.87 C ATOM 1013 C LYS A 68 3.985 15.326 0.599 1.00 0.90 C ATOM 1014 O LYS A 68 3.458 15.248 -0.513 1.00 1.06 O ATOM 1015 CB LYS A 68 3.755 13.582 2.359 1.00 0.73 C ATOM 1016 CG LYS A 68 4.009 12.564 1.253 1.00 1.24 C ATOM 1017 CD LYS A 68 2.763 12.293 0.428 1.00 2.01 C ATOM 1018 CE LYS A 68 3.067 11.458 -0.790 1.00 2.81 C ATOM 1019 NZ LYS A 68 1.822 11.102 -1.526 1.00 3.36 N ATOM 0 H LYS A 68 1.495 13.920 1.295 1.00 0.97 H new ATOM 0 HA LYS A 68 3.385 15.700 2.617 1.00 0.87 H new ATOM 0 HB2 LYS A 68 4.683 13.747 2.906 1.00 0.73 H new ATOM 0 HB3 LYS A 68 3.039 13.163 3.066 1.00 0.73 H new ATOM 0 HG2 LYS A 68 4.803 12.928 0.601 1.00 1.24 H new ATOM 0 HG3 LYS A 68 4.361 11.631 1.693 1.00 1.24 H new ATOM 0 HD2 LYS A 68 2.024 11.781 1.044 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.320 13.239 0.118 1.00 2.01 H new ATOM 0 HE2 LYS A 68 3.739 12.006 -1.451 1.00 2.81 H new ATOM 0 HE3 LYS A 68 3.587 10.548 -0.490 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 2.056 10.472 -2.320 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 1.164 10.618 -0.882 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 1.375 11.967 -1.891 1.00 3.36 H new ATOM 1033 N GLN A 69 5.222 15.743 0.791 1.00 0.87 N ATOM 1034 CA GLN A 69 6.131 15.989 -0.307 1.00 0.93 C ATOM 1035 C GLN A 69 7.015 14.763 -0.505 1.00 0.81 C ATOM 1036 O GLN A 69 6.983 13.839 0.313 1.00 0.74 O ATOM 1037 CB GLN A 69 6.997 17.221 -0.027 1.00 1.07 C ATOM 1038 CG GLN A 69 6.297 18.558 -0.235 1.00 1.33 C ATOM 1039 CD GLN A 69 5.051 18.731 0.613 1.00 2.12 C ATOM 1040 OE1 GLN A 69 3.945 18.409 0.182 1.00 2.64 O ATOM 1041 NE2 GLN A 69 5.219 19.244 1.824 1.00 2.89 N ATOM 0 H GLN A 69 5.623 15.920 1.712 1.00 0.87 H new ATOM 0 HA GLN A 69 5.555 16.179 -1.212 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.353 17.170 1.002 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.876 17.183 -0.671 1.00 1.07 H new ATOM 0 HG2 GLN A 69 6.995 19.363 -0.008 1.00 1.33 H new ATOM 0 HG3 GLN A 69 6.027 18.657 -1.286 1.00 1.33 H new ATOM 0 HE21 GLN A 69 6.153 19.498 2.145 1.00 2.89 H new ATOM 0 HE22 GLN A 69 4.414 19.384 2.435 1.00 2.89 H new ATOM 1050 N HIS A 70 7.800 14.745 -1.567 1.00 0.84 N ATOM 1051 CA HIS A 70 8.711 13.634 -1.814 1.00 0.79 C ATOM 1052 C HIS A 70 9.730 13.535 -0.683 1.00 0.70 C ATOM 1053 O HIS A 70 10.117 12.438 -0.271 1.00 0.65 O ATOM 1054 CB HIS A 70 9.417 13.808 -3.164 1.00 0.88 C ATOM 1055 CG HIS A 70 10.282 12.646 -3.555 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.595 12.785 -3.951 1.00 1.42 N ATOM 1057 CD2 HIS A 70 10.012 11.322 -3.623 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.092 11.600 -4.242 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.155 10.691 -4.054 1.00 1.13 N ATOM 0 H HIS A 70 7.828 15.482 -2.272 1.00 0.84 H new ATOM 0 HA HIS A 70 8.136 12.709 -1.849 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.665 13.965 -3.938 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.030 14.708 -3.128 1.00 0.88 H new ATOM 0 HD2 HIS A 70 9.072 10.848 -3.383 1.00 1.37 H new ATOM 0 HE1 HIS A 70 13.100 11.405 -4.579 1.00 1.31 H new ATOM 0 HE2 HIS A 70 11.261 9.688 -4.203 1.00 1.13 H new ATOM 1068 N GLY A 71 10.134 14.693 -0.169 1.00 0.72 N ATOM 1069 CA GLY A 71 11.083 14.740 0.927 1.00 0.69 C ATOM 1070 C GLY A 71 10.550 14.102 2.194 1.00 0.62 C ATOM 1071 O GLY A 71 11.307 13.497 2.951 1.00 0.62 O ATOM 0 H GLY A 71 9.817 15.606 -0.496 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.001 14.233 0.629 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.344 15.778 1.131 1.00 0.69 H new ATOM 1075 N ASP A 72 9.243 14.223 2.420 1.00 0.61 N ATOM 1076 CA ASP A 72 8.619 13.661 3.620 1.00 0.58 C ATOM 1077 C ASP A 72 8.728 12.147 3.618 1.00 0.49 C ATOM 1078 O ASP A 72 9.108 11.543 4.619 1.00 0.44 O ATOM 1079 CB ASP A 72 7.141 14.059 3.725 1.00 0.68 C ATOM 1080 CG ASP A 72 6.944 15.530 4.018 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.432 16.002 5.064 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.299 16.222 3.202 1.00 2.03 O ATOM 0 H ASP A 72 8.597 14.702 1.793 1.00 0.61 H new ATOM 0 HA ASP A 72 9.151 14.066 4.480 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.636 13.809 2.792 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.667 13.471 4.511 1.00 0.68 H new ATOM 1087 N VAL A 73 8.405 11.542 2.483 1.00 0.50 N ATOM 1088 CA VAL A 73 8.444 10.092 2.351 1.00 0.45 C ATOM 1089 C VAL A 73 9.864 9.574 2.552 1.00 0.44 C ATOM 1090 O VAL A 73 10.090 8.624 3.301 1.00 0.43 O ATOM 1091 CB VAL A 73 7.931 9.633 0.969 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.900 8.115 0.880 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.553 10.212 0.688 1.00 0.97 C ATOM 0 H VAL A 73 8.112 12.034 1.639 1.00 0.50 H new ATOM 0 HA VAL A 73 7.790 9.682 3.120 1.00 0.45 H new ATOM 0 HB VAL A 73 8.621 10.005 0.212 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.535 7.816 -0.103 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.905 7.721 1.029 1.00 1.08 H new ATOM 0 HG13 VAL A 73 7.237 7.719 1.649 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.210 9.876 -0.291 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.854 9.875 1.453 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.606 11.301 0.700 1.00 0.97 H new ATOM 1103 N VAL A 74 10.820 10.225 1.897 1.00 0.49 N ATOM 1104 CA VAL A 74 12.221 9.830 1.993 1.00 0.53 C ATOM 1105 C VAL A 74 12.739 9.983 3.426 1.00 0.51 C ATOM 1106 O VAL A 74 13.430 9.105 3.946 1.00 0.52 O ATOM 1107 CB VAL A 74 13.104 10.652 1.023 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.568 10.253 1.141 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.618 10.481 -0.411 1.00 0.70 C ATOM 0 H VAL A 74 10.650 11.029 1.293 1.00 0.49 H new ATOM 0 HA VAL A 74 12.281 8.779 1.709 1.00 0.53 H new ATOM 0 HB VAL A 74 13.020 11.703 1.298 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.164 10.847 0.448 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.912 10.430 2.160 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.678 9.196 0.900 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.249 11.065 -1.081 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.670 9.428 -0.690 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.587 10.827 -0.490 1.00 0.70 H new ATOM 1119 N SER A 75 12.381 11.087 4.069 1.00 0.51 N ATOM 1120 CA SER A 75 12.841 11.364 5.422 1.00 0.52 C ATOM 1121 C SER A 75 12.239 10.370 6.412 1.00 0.47 C ATOM 1122 O SER A 75 12.904 9.947 7.354 1.00 0.51 O ATOM 1123 CB SER A 75 12.478 12.796 5.824 1.00 0.58 C ATOM 1124 OG SER A 75 13.201 13.209 6.973 1.00 0.66 O ATOM 0 H SER A 75 11.773 11.805 3.675 1.00 0.51 H new ATOM 0 HA SER A 75 13.925 11.256 5.443 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.689 13.473 4.996 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.408 12.860 6.023 1.00 0.58 H new ATOM 0 HG SER A 75 12.950 14.127 7.205 1.00 0.66 H new ATOM 1130 N ALA A 76 10.988 9.985 6.183 1.00 0.42 N ATOM 1131 CA ALA A 76 10.297 9.058 7.071 1.00 0.39 C ATOM 1132 C ALA A 76 10.986 7.698 7.107 1.00 0.37 C ATOM 1133 O ALA A 76 11.104 7.083 8.168 1.00 0.39 O ATOM 1134 CB ALA A 76 8.850 8.899 6.644 1.00 0.39 C ATOM 0 H ALA A 76 10.432 10.301 5.389 1.00 0.42 H new ATOM 0 HA ALA A 76 10.330 9.477 8.077 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.347 8.204 7.316 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.351 9.867 6.683 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.812 8.511 5.626 1.00 0.39 H new ATOM 1140 N ILE A 77 11.439 7.235 5.946 1.00 0.37 N ATOM 1141 CA ILE A 77 12.171 5.975 5.855 1.00 0.39 C ATOM 1142 C ILE A 77 13.436 6.032 6.712 1.00 0.41 C ATOM 1143 O ILE A 77 13.732 5.113 7.478 1.00 0.44 O ATOM 1144 CB ILE A 77 12.560 5.671 4.392 1.00 0.45 C ATOM 1145 CG1 ILE A 77 11.305 5.590 3.521 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.362 4.377 4.299 1.00 0.50 C ATOM 1147 CD1 ILE A 77 11.593 5.592 2.036 1.00 0.69 C ATOM 0 H ILE A 77 11.312 7.713 5.054 1.00 0.37 H new ATOM 0 HA ILE A 77 11.519 5.182 6.221 1.00 0.39 H new ATOM 0 HB ILE A 77 13.189 6.482 4.027 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.756 4.683 3.774 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.655 6.433 3.757 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.624 4.185 3.258 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.272 4.470 4.891 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.764 3.550 4.681 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.655 5.532 1.483 1.00 0.69 H new ATOM 0 HD12 ILE A 77 12.115 6.511 1.768 1.00 0.69 H new ATOM 0 HD13 ILE A 77 12.217 4.734 1.785 1.00 0.69 H new ATOM 1159 N ARG A 78 14.155 7.142 6.598 1.00 0.43 N ATOM 1160 CA ARG A 78 15.412 7.332 7.315 1.00 0.50 C ATOM 1161 C ARG A 78 15.161 7.565 8.803 1.00 0.50 C ATOM 1162 O ARG A 78 15.990 7.217 9.647 1.00 0.56 O ATOM 1163 CB ARG A 78 16.175 8.517 6.718 1.00 0.58 C ATOM 1164 CG ARG A 78 16.371 8.409 5.213 1.00 0.66 C ATOM 1165 CD ARG A 78 16.994 9.665 4.634 1.00 0.89 C ATOM 1166 NE ARG A 78 18.371 9.849 5.082 1.00 1.59 N ATOM 1167 CZ ARG A 78 19.126 10.891 4.744 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.612 11.878 4.021 1.00 2.12 N ATOM 1169 NH2 ARG A 78 20.390 10.958 5.147 1.00 3.09 N ATOM 0 H ARG A 78 13.887 7.931 6.010 1.00 0.43 H new ATOM 0 HA ARG A 78 16.011 6.427 7.209 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.636 9.438 6.942 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.150 8.593 7.200 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.007 7.552 4.990 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.409 8.226 4.734 1.00 0.66 H new ATOM 0 HD2 ARG A 78 16.971 9.612 3.546 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.400 10.531 4.924 1.00 0.89 H new ATOM 0 HE ARG A 78 18.778 9.138 5.689 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.637 11.838 3.724 1.00 2.12 H new ATOM 0 HH12 ARG A 78 19.192 12.676 3.763 1.00 2.12 H new ATOM 0 HH21 ARG A 78 20.784 10.209 5.717 1.00 3.09 H new ATOM 0 HH22 ARG A 78 20.967 11.758 4.886 1.00 3.09 H new ATOM 1183 N ALA A 79 14.003 8.139 9.118 1.00 0.47 N ATOM 1184 CA ALA A 79 13.631 8.429 10.499 1.00 0.51 C ATOM 1185 C ALA A 79 13.353 7.151 11.280 1.00 0.43 C ATOM 1186 O ALA A 79 13.285 7.167 12.509 1.00 0.46 O ATOM 1187 CB ALA A 79 12.419 9.350 10.537 1.00 0.65 C ATOM 0 H ALA A 79 13.302 8.414 8.430 1.00 0.47 H new ATOM 0 HA ALA A 79 14.473 8.933 10.974 1.00 0.51 H new ATOM 0 HB1 ALA A 79 12.152 9.558 11.573 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.656 10.285 10.029 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.580 8.868 10.036 1.00 0.65 H new ATOM 1193 N GLY A 80 13.196 6.046 10.562 1.00 0.41 N ATOM 1194 CA GLY A 80 12.976 4.769 11.211 1.00 0.42 C ATOM 1195 C GLY A 80 14.232 4.245 11.875 1.00 0.46 C ATOM 1196 O GLY A 80 14.170 3.381 12.753 1.00 0.60 O ATOM 0 H GLY A 80 13.217 6.012 9.543 1.00 0.41 H new ATOM 0 HA2 GLY A 80 12.188 4.873 11.957 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.626 4.045 10.476 1.00 0.42 H new ATOM 1200 N GLY A 81 15.377 4.770 11.461 1.00 0.49 N ATOM 1201 CA GLY A 81 16.632 4.353 12.041 1.00 0.63 C ATOM 1202 C GLY A 81 17.248 3.197 11.291 1.00 0.64 C ATOM 1203 O GLY A 81 17.785 3.376 10.197 1.00 1.10 O ATOM 0 H GLY A 81 15.456 5.479 10.732 1.00 0.49 H new ATOM 0 HA2 GLY A 81 17.326 5.193 12.045 1.00 0.63 H new ATOM 0 HA3 GLY A 81 16.473 4.067 13.081 1.00 0.63 H new ATOM 1207 N ASP A 82 17.153 2.009 11.866 1.00 0.43 N ATOM 1208 CA ASP A 82 17.747 0.813 11.275 1.00 0.44 C ATOM 1209 C ASP A 82 16.721 0.001 10.498 1.00 0.39 C ATOM 1210 O ASP A 82 17.071 -0.989 9.859 1.00 0.55 O ATOM 1211 CB ASP A 82 18.381 -0.063 12.361 1.00 0.55 C ATOM 1212 CG ASP A 82 17.410 -0.415 13.474 1.00 1.41 C ATOM 1213 OD1 ASP A 82 17.084 0.469 14.294 1.00 1.97 O ATOM 1214 OD2 ASP A 82 16.966 -1.581 13.528 1.00 2.12 O ATOM 0 H ASP A 82 16.667 1.843 12.748 1.00 0.43 H new ATOM 0 HA ASP A 82 18.518 1.144 10.579 1.00 0.44 H new ATOM 0 HB2 ASP A 82 18.756 -0.981 11.908 1.00 0.55 H new ATOM 0 HB3 ASP A 82 19.240 0.457 12.785 1.00 0.55 H new ATOM 1219 N GLU A 83 15.463 0.411 10.549 1.00 0.38 N ATOM 1220 CA GLU A 83 14.421 -0.280 9.806 1.00 0.39 C ATOM 1221 C GLU A 83 13.305 0.673 9.410 1.00 0.38 C ATOM 1222 O GLU A 83 13.217 1.792 9.917 1.00 0.53 O ATOM 1223 CB GLU A 83 13.878 -1.468 10.612 1.00 0.47 C ATOM 1224 CG GLU A 83 13.298 -1.116 11.971 1.00 0.86 C ATOM 1225 CD GLU A 83 11.807 -0.827 11.933 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.030 -1.715 11.513 1.00 2.11 O ATOM 1227 OE2 GLU A 83 11.397 0.272 12.361 1.00 2.00 O ATOM 0 H GLU A 83 15.141 1.212 11.092 1.00 0.38 H new ATOM 0 HA GLU A 83 14.861 -0.669 8.888 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.107 -1.964 10.023 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.683 -2.189 10.754 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.484 -1.939 12.661 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.820 -0.244 12.366 1.00 0.86 H new ATOM 1234 N THR A 84 12.473 0.230 8.487 1.00 0.27 N ATOM 1235 CA THR A 84 11.366 1.027 8.004 1.00 0.26 C ATOM 1236 C THR A 84 10.211 0.114 7.605 1.00 0.22 C ATOM 1237 O THR A 84 10.425 -1.027 7.187 1.00 0.21 O ATOM 1238 CB THR A 84 11.798 1.914 6.805 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.717 2.746 6.364 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.284 1.066 5.640 1.00 0.30 C ATOM 0 H THR A 84 12.546 -0.690 8.053 1.00 0.27 H new ATOM 0 HA THR A 84 11.038 1.689 8.806 1.00 0.26 H new ATOM 0 HB THR A 84 12.617 2.544 7.151 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.017 2.764 7.050 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.579 1.715 4.816 1.00 0.30 H new ATOM 0 HG22 THR A 84 13.139 0.469 5.956 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.482 0.405 5.312 1.00 0.30 H new ATOM 1248 N LYS A 85 8.991 0.601 7.767 1.00 0.24 N ATOM 1249 CA LYS A 85 7.815 -0.170 7.407 1.00 0.23 C ATOM 1250 C LYS A 85 7.082 0.509 6.273 1.00 0.23 C ATOM 1251 O LYS A 85 6.620 1.640 6.408 1.00 0.26 O ATOM 1252 CB LYS A 85 6.878 -0.327 8.605 1.00 0.28 C ATOM 1253 CG LYS A 85 7.531 -0.990 9.800 1.00 0.37 C ATOM 1254 CD LYS A 85 6.565 -1.126 10.960 1.00 0.50 C ATOM 1255 CE LYS A 85 7.250 -0.851 12.286 1.00 0.78 C ATOM 1256 NZ LYS A 85 8.469 -1.678 12.488 1.00 1.63 N ATOM 0 H LYS A 85 8.791 1.527 8.146 1.00 0.24 H new ATOM 0 HA LYS A 85 8.140 -1.161 7.090 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.511 0.656 8.900 1.00 0.28 H new ATOM 0 HB3 LYS A 85 6.010 -0.914 8.303 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.898 -1.976 9.514 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.396 -0.406 10.113 1.00 0.37 H new ATOM 0 HD2 LYS A 85 5.735 -0.433 10.827 1.00 0.50 H new ATOM 0 HD3 LYS A 85 6.143 -2.131 10.968 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.520 0.204 12.338 1.00 0.78 H new ATOM 0 HE3 LYS A 85 6.549 -1.042 13.098 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 8.779 -1.603 13.478 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 8.255 -2.671 12.267 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 9.226 -1.339 11.861 1.00 1.63 H new ATOM 1270 N LEU A 86 6.974 -0.175 5.161 1.00 0.22 N ATOM 1271 CA LEU A 86 6.280 0.364 4.017 1.00 0.22 C ATOM 1272 C LEU A 86 4.934 -0.318 3.880 1.00 0.22 C ATOM 1273 O LEU A 86 4.851 -1.543 3.830 1.00 0.27 O ATOM 1274 CB LEU A 86 7.105 0.170 2.742 1.00 0.24 C ATOM 1275 CG LEU A 86 8.475 0.853 2.739 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.194 0.600 1.423 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.331 2.347 2.988 1.00 0.28 C ATOM 0 H LEU A 86 7.359 -1.109 5.023 1.00 0.22 H new ATOM 0 HA LEU A 86 6.132 1.434 4.164 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.250 -0.898 2.582 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.529 0.544 1.896 1.00 0.24 H new ATOM 0 HG LEU A 86 9.071 0.427 3.546 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.166 1.093 1.439 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.333 -0.472 1.285 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.599 0.998 0.601 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.316 2.813 2.982 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.715 2.789 2.204 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.858 2.511 3.956 1.00 0.28 H new ATOM 1289 N LEU A 87 3.884 0.471 3.824 1.00 0.20 N ATOM 1290 CA LEU A 87 2.556 -0.073 3.657 1.00 0.21 C ATOM 1291 C LEU A 87 2.139 0.109 2.221 1.00 0.21 C ATOM 1292 O LEU A 87 1.991 1.232 1.745 1.00 0.26 O ATOM 1293 CB LEU A 87 1.552 0.626 4.572 1.00 0.27 C ATOM 1294 CG LEU A 87 0.096 0.200 4.363 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.103 -1.244 4.775 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.846 1.107 5.130 1.00 0.45 C ATOM 0 H LEU A 87 3.924 1.488 3.891 1.00 0.20 H new ATOM 0 HA LEU A 87 2.572 -1.130 3.921 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.828 0.432 5.608 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.628 1.702 4.418 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.134 0.289 3.301 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.144 -1.527 4.619 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.542 -1.886 4.174 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.150 -1.360 5.829 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.875 0.785 4.966 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.615 1.056 6.194 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.727 2.133 4.782 1.00 0.45 H new ATOM 1308 N VAL A 88 1.961 -0.997 1.533 1.00 0.20 N ATOM 1309 CA VAL A 88 1.652 -0.963 0.124 1.00 0.23 C ATOM 1310 C VAL A 88 0.423 -1.803 -0.163 1.00 0.24 C ATOM 1311 O VAL A 88 -0.043 -2.557 0.697 1.00 0.27 O ATOM 1312 CB VAL A 88 2.838 -1.458 -0.728 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.023 -0.515 -0.602 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.240 -2.866 -0.327 1.00 0.33 C ATOM 0 H VAL A 88 2.026 -1.934 1.930 1.00 0.20 H new ATOM 0 HA VAL A 88 1.453 0.074 -0.147 1.00 0.23 H new ATOM 0 HB VAL A 88 2.519 -1.474 -1.770 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.848 -0.884 -1.211 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.735 0.479 -0.945 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.337 -0.463 0.440 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.078 -3.194 -0.942 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.534 -2.875 0.723 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.397 -3.541 -0.474 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.104 -1.661 -1.363 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.311 -2.359 -1.755 1.00 0.27 C ATOM 1326 C VAL A 89 -1.089 -3.107 -3.056 1.00 0.34 C ATOM 1327 O VAL A 89 -0.391 -2.625 -3.949 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.495 -1.381 -1.914 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.844 -0.747 -0.579 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.182 -0.300 -2.943 1.00 0.30 C ATOM 0 H VAL A 89 0.290 -1.063 -2.089 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.554 -3.071 -0.966 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.353 -1.951 -2.269 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.681 -0.061 -0.710 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.121 -1.525 0.132 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -1.981 -0.199 -0.200 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.034 0.374 -3.034 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.306 0.264 -2.623 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.982 -0.764 -3.909 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.667 -4.295 -3.145 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.554 -5.101 -4.348 1.00 0.51 C ATOM 1342 C ASP A 90 -2.509 -4.560 -5.403 1.00 0.48 C ATOM 1343 O ASP A 90 -3.343 -3.705 -5.096 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.875 -6.568 -4.044 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.130 -7.529 -4.954 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -1.123 -7.303 -6.185 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -0.568 -8.522 -4.455 1.00 1.86 O ATOM 0 H ASP A 90 -2.218 -4.721 -2.399 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.531 -5.048 -4.721 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.620 -6.784 -3.007 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -2.948 -6.731 -4.150 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.423 -5.074 -6.618 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.172 -4.520 -7.738 1.00 0.61 C ATOM 1354 C ARG A 91 -4.675 -4.533 -7.457 1.00 0.55 C ATOM 1355 O ARG A 91 -5.366 -3.531 -7.657 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.862 -5.301 -9.015 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.324 -4.598 -10.278 1.00 0.82 C ATOM 1358 CD ARG A 91 -2.656 -3.238 -10.419 1.00 1.44 C ATOM 1359 NE ARG A 91 -3.181 -2.485 -11.556 1.00 2.25 N ATOM 1360 CZ ARG A 91 -3.895 -1.367 -11.433 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -4.130 -0.862 -10.229 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -4.367 -0.747 -12.510 1.00 4.16 N ATOM 0 H ARG A 91 -1.841 -5.877 -6.857 1.00 0.57 H new ATOM 0 HA ARG A 91 -2.865 -3.483 -7.873 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.787 -5.472 -9.076 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.338 -6.280 -8.958 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -3.092 -5.213 -11.147 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -4.407 -4.475 -10.255 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -2.805 -2.664 -9.504 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -1.581 -3.373 -10.539 1.00 1.44 H new ATOM 0 HE ARG A 91 -2.990 -2.834 -12.495 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -3.764 -1.330 -9.400 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -4.676 -0.006 -10.133 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -4.183 -1.127 -13.439 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -4.913 0.109 -12.408 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.162 -5.666 -6.968 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.578 -5.834 -6.658 1.00 0.61 C ATOM 1378 C GLU A 92 -7.020 -4.907 -5.523 1.00 0.51 C ATOM 1379 O GLU A 92 -8.160 -4.436 -5.500 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.863 -7.291 -6.279 1.00 0.74 C ATOM 1381 CG GLU A 92 -6.885 -8.259 -7.456 1.00 1.44 C ATOM 1382 CD GLU A 92 -5.602 -8.261 -8.263 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -4.534 -8.531 -7.679 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -5.656 -7.974 -9.478 1.00 2.68 O ATOM 0 H GLU A 92 -4.592 -6.490 -6.776 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.147 -5.570 -7.549 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -6.107 -7.622 -5.567 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -7.825 -7.339 -5.768 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -7.072 -9.266 -7.084 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -7.717 -8.002 -8.112 1.00 1.44 H new ATOM 1391 N THR A 93 -6.113 -4.646 -4.592 1.00 0.44 N ATOM 1392 CA THR A 93 -6.402 -3.788 -3.452 1.00 0.38 C ATOM 1393 C THR A 93 -6.421 -2.320 -3.877 1.00 0.33 C ATOM 1394 O THR A 93 -7.312 -1.558 -3.499 1.00 0.37 O ATOM 1395 CB THR A 93 -5.338 -3.991 -2.357 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.087 -5.392 -2.185 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.772 -3.385 -1.031 1.00 0.36 C ATOM 0 H THR A 93 -5.164 -5.020 -4.605 1.00 0.44 H new ATOM 0 HA THR A 93 -7.383 -4.056 -3.060 1.00 0.38 H new ATOM 0 HB THR A 93 -4.428 -3.483 -2.676 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.409 -5.520 -1.489 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.995 -3.549 -0.284 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.935 -2.315 -1.156 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.698 -3.857 -0.701 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.436 -1.950 -4.687 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.264 -0.577 -5.148 1.00 0.39 C ATOM 1407 C ASP A 94 -6.488 -0.084 -5.916 1.00 0.43 C ATOM 1408 O ASP A 94 -7.006 0.995 -5.632 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.007 -0.493 -6.025 1.00 0.48 C ATOM 1410 CG ASP A 94 -3.812 0.861 -6.677 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -3.578 1.842 -5.941 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -3.905 0.953 -7.922 1.00 1.18 O ATOM 0 H ASP A 94 -4.732 -2.596 -5.044 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.148 0.070 -4.278 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.133 -0.723 -5.416 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.064 -1.256 -6.801 1.00 0.48 H new ATOM 1417 N GLU A 95 -6.970 -0.892 -6.857 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.137 -0.524 -7.658 1.00 0.49 C ATOM 1419 C GLU A 95 -9.385 -0.384 -6.782 1.00 0.45 C ATOM 1420 O GLU A 95 -10.188 0.533 -6.971 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.387 -1.565 -8.756 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.320 -1.591 -9.839 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.317 -0.342 -10.702 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -8.173 -0.229 -11.603 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -6.471 0.547 -10.464 1.00 1.94 O ATOM 0 H GLU A 95 -6.573 -1.804 -7.084 1.00 0.43 H new ATOM 0 HA GLU A 95 -7.930 0.440 -8.122 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.450 -2.552 -8.299 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.354 -1.366 -9.218 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.341 -1.706 -9.374 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -7.476 -2.463 -10.473 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.525 -1.282 -5.813 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.688 -1.292 -4.931 1.00 0.41 C ATOM 1434 C PHE A 96 -10.757 -0.007 -4.113 1.00 0.36 C ATOM 1435 O PHE A 96 -11.797 0.653 -4.059 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.630 -2.513 -4.005 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.686 -2.527 -2.931 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -13.006 -2.814 -3.240 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.352 -2.261 -1.612 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.973 -2.835 -2.253 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.314 -2.280 -0.621 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.627 -2.568 -0.942 1.00 0.72 C ATOM 0 H PHE A 96 -8.844 -2.016 -5.617 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.588 -1.353 -5.542 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.729 -3.416 -4.607 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.648 -2.550 -3.533 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.282 -3.023 -4.263 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.327 -2.036 -1.356 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.999 -3.060 -2.506 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.041 -2.070 0.403 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.382 -2.584 -0.169 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.645 0.353 -3.496 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.563 1.583 -2.728 1.00 0.32 C ATOM 1454 C PHE A 97 -9.691 2.809 -3.631 1.00 0.39 C ATOM 1455 O PHE A 97 -10.304 3.797 -3.244 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.257 1.623 -1.932 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.308 0.830 -0.653 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.751 1.408 0.526 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.915 -0.502 -0.634 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.800 0.674 1.697 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.964 -1.236 0.534 1.00 0.40 C ATOM 1462 CZ PHE A 97 -8.401 -0.623 1.719 1.00 0.35 C ATOM 0 H PHE A 97 -8.783 -0.192 -3.512 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.397 1.605 -2.027 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.449 1.240 -2.555 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.015 2.660 -1.698 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.061 2.442 0.530 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.567 -0.969 -1.544 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -9.160 1.138 2.604 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -7.668 -2.275 0.536 1.00 0.40 H new ATOM 0 HZ PHE A 97 -8.420 -1.181 2.644 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.122 2.740 -4.830 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.175 3.857 -5.775 1.00 0.53 C ATOM 1474 C LYS A 98 -10.603 4.228 -6.160 1.00 0.56 C ATOM 1475 O LYS A 98 -10.974 5.401 -6.107 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.390 3.529 -7.038 1.00 0.63 C ATOM 1477 CG LYS A 98 -6.922 3.893 -6.953 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.171 3.393 -8.167 1.00 1.13 C ATOM 1479 CE LYS A 98 -4.748 3.916 -8.193 1.00 1.31 C ATOM 1480 NZ LYS A 98 -3.928 3.199 -9.199 1.00 1.92 N ATOM 0 H LYS A 98 -8.618 1.923 -5.173 1.00 0.43 H new ATOM 0 HA LYS A 98 -8.728 4.712 -5.268 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -8.480 2.462 -7.244 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -8.838 4.056 -7.881 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -6.815 4.975 -6.875 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -6.488 3.464 -6.050 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -6.159 2.303 -8.166 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -6.691 3.705 -9.072 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -4.754 4.982 -8.419 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -4.299 3.802 -7.207 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -3.010 3.676 -9.302 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -3.776 2.218 -8.888 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -4.423 3.199 -10.114 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.404 3.237 -6.538 1.00 0.55 N ATOM 1495 CA LYS A 99 -12.780 3.504 -6.945 1.00 0.63 C ATOM 1496 C LYS A 99 -13.609 3.952 -5.750 1.00 0.63 C ATOM 1497 O LYS A 99 -14.537 4.747 -5.879 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.420 2.274 -7.595 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.447 1.044 -6.702 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.543 0.086 -7.123 1.00 0.76 C ATOM 1501 CE LYS A 99 -15.917 0.704 -6.916 1.00 1.62 C ATOM 1502 NZ LYS A 99 -16.194 0.982 -5.480 1.00 2.04 N ATOM 0 H LYS A 99 -11.130 2.255 -6.571 1.00 0.55 H new ATOM 0 HA LYS A 99 -12.757 4.304 -7.685 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.441 2.520 -7.887 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -12.876 2.035 -8.509 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.482 0.539 -6.745 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.602 1.346 -5.666 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -14.415 -0.180 -8.172 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.465 -0.837 -6.548 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -15.987 1.631 -7.485 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -16.680 0.031 -7.309 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -17.035 0.449 -5.179 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.377 0.691 -4.906 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -16.364 2.000 -5.350 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.272 3.420 -4.588 1.00 0.55 N ATOM 1517 CA CYS A 100 -13.912 3.814 -3.344 1.00 0.60 C ATOM 1518 C CYS A 100 -13.395 5.172 -2.858 1.00 0.61 C ATOM 1519 O CYS A 100 -14.002 5.808 -1.995 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.673 2.734 -2.287 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.650 1.232 -2.544 1.00 1.39 S ATOM 0 H CYS A 100 -12.551 2.707 -4.480 1.00 0.55 H new ATOM 0 HA CYS A 100 -14.983 3.918 -3.518 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.615 2.472 -2.282 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.905 3.143 -1.304 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.951 0.370 -3.221 1.00 1.39 H new ATOM 1527 N ARG A 101 -12.285 5.610 -3.455 1.00 0.59 N ATOM 1528 CA ARG A 101 -11.610 6.863 -3.099 1.00 0.65 C ATOM 1529 C ARG A 101 -11.095 6.808 -1.664 1.00 0.64 C ATOM 1530 O ARG A 101 -10.942 7.836 -1.006 1.00 0.75 O ATOM 1531 CB ARG A 101 -12.534 8.071 -3.287 1.00 0.77 C ATOM 1532 CG ARG A 101 -13.155 8.156 -4.673 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.665 8.008 -4.612 1.00 1.19 C ATOM 1534 NE ARG A 101 -15.313 9.184 -4.033 1.00 2.14 N ATOM 1535 CZ ARG A 101 -15.791 9.253 -2.791 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -15.624 8.245 -1.940 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -16.418 10.350 -2.393 1.00 4.09 N ATOM 0 H ARG A 101 -11.823 5.100 -4.208 1.00 0.59 H new ATOM 0 HA ARG A 101 -10.761 6.982 -3.772 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -13.330 8.027 -2.544 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -11.969 8.983 -3.095 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -12.900 9.112 -5.130 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -12.737 7.376 -5.310 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -15.053 7.840 -5.617 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -14.918 7.128 -4.021 1.00 1.19 H new ATOM 0 HE ARG A 101 -15.406 10.011 -4.622 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -15.125 7.406 -2.235 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -15.995 8.311 -0.992 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -16.532 11.134 -3.036 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -16.787 10.411 -1.444 1.00 4.09 H new ATOM 1551 N VAL A 102 -10.804 5.602 -1.202 1.00 0.55 N ATOM 1552 CA VAL A 102 -10.397 5.381 0.176 1.00 0.57 C ATOM 1553 C VAL A 102 -8.894 5.174 0.265 1.00 0.49 C ATOM 1554 O VAL A 102 -8.292 4.517 -0.586 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.113 4.151 0.781 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -10.707 3.931 2.231 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -12.622 4.290 0.668 1.00 1.42 C ATOM 0 H VAL A 102 -10.843 4.754 -1.768 1.00 0.55 H new ATOM 0 HA VAL A 102 -10.677 6.269 0.743 1.00 0.57 H new ATOM 0 HB VAL A 102 -10.803 3.277 0.207 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -11.228 3.059 2.626 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -9.631 3.767 2.287 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.971 4.809 2.820 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -13.102 3.412 1.101 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -12.946 5.182 1.204 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -12.902 4.376 -0.382 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.290 5.748 1.290 1.00 0.54 N ATOM 1568 CA ILE A 103 -6.880 5.552 1.550 1.00 0.50 C ATOM 1569 C ILE A 103 -6.680 4.271 2.355 1.00 0.43 C ATOM 1570 O ILE A 103 -7.263 4.104 3.426 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.262 6.759 2.309 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -6.087 7.966 1.382 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -4.923 6.395 2.936 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.381 8.583 0.901 1.00 1.33 C ATOM 0 H ILE A 103 -8.760 6.358 1.959 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.369 5.469 0.591 1.00 0.50 H new ATOM 0 HB ILE A 103 -6.958 7.025 3.105 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -5.509 8.728 1.904 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -5.501 7.660 0.515 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.519 7.262 3.459 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.063 5.577 3.643 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.228 6.085 2.156 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.161 9.430 0.251 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -7.955 7.840 0.347 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -7.962 8.925 1.758 1.00 1.33 H new ATOM 1586 N PRO A 104 -5.882 3.331 1.834 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.555 2.101 2.546 1.00 0.37 C ATOM 1588 C PRO A 104 -4.635 2.385 3.727 1.00 0.37 C ATOM 1589 O PRO A 104 -3.739 3.218 3.631 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.850 1.227 1.504 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.957 1.959 0.200 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.233 3.399 0.524 1.00 0.44 C ATOM 0 HA PRO A 104 -6.440 1.617 2.960 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.807 1.065 1.774 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.319 0.245 1.439 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.035 1.863 -0.373 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.757 1.542 -0.412 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.315 3.986 0.560 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -5.879 3.862 -0.222 1.00 0.44 H new ATOM 1600 N SER A 105 -4.850 1.693 4.834 1.00 0.32 N ATOM 1601 CA SER A 105 -4.152 2.014 6.065 1.00 0.34 C ATOM 1602 C SER A 105 -3.992 0.775 6.934 1.00 0.34 C ATOM 1603 O SER A 105 -4.630 -0.251 6.675 1.00 0.33 O ATOM 1604 CB SER A 105 -4.921 3.093 6.833 1.00 0.43 C ATOM 1605 OG SER A 105 -5.164 4.227 6.018 1.00 1.42 O ATOM 0 H SER A 105 -5.499 0.909 4.904 1.00 0.32 H new ATOM 0 HA SER A 105 -3.160 2.388 5.812 1.00 0.34 H new ATOM 0 HB2 SER A 105 -5.868 2.686 7.186 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.353 3.390 7.715 1.00 0.43 H new ATOM 0 HG SER A 105 -5.658 4.900 6.532 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.146 0.878 7.954 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.938 -0.175 8.927 1.00 0.43 C ATOM 1613 C GLN A 106 -4.260 -0.655 9.537 1.00 0.45 C ATOM 1614 O GLN A 106 -4.393 -1.818 9.915 1.00 0.50 O ATOM 1615 CB GLN A 106 -2.020 0.347 10.016 1.00 0.52 C ATOM 1616 CG GLN A 106 -1.297 -0.735 10.763 1.00 0.68 C ATOM 1617 CD GLN A 106 -1.245 -0.474 12.251 1.00 0.96 C ATOM 1618 OE1 GLN A 106 -2.125 -0.899 13.000 1.00 1.66 O ATOM 1619 NE2 GLN A 106 -0.224 0.238 12.691 1.00 1.42 N ATOM 0 H GLN A 106 -2.580 1.709 8.125 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.486 -1.031 8.426 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -1.288 1.021 9.570 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -2.606 0.935 10.722 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -1.791 -1.690 10.582 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.281 -0.823 10.377 1.00 0.68 H new ATOM 0 HE21 GLN A 106 0.484 0.572 12.037 1.00 1.42 H new ATOM 0 HE22 GLN A 106 -0.144 0.454 13.685 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.235 0.248 9.613 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.572 -0.075 10.121 1.00 0.51 C ATOM 1630 C GLU A 107 -7.203 -1.217 9.314 1.00 0.42 C ATOM 1631 O GLU A 107 -7.973 -2.021 9.835 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.456 1.176 10.026 1.00 0.59 C ATOM 1633 CG GLU A 107 -8.902 0.960 10.446 1.00 1.41 C ATOM 1634 CD GLU A 107 -9.056 0.757 11.936 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -9.048 1.762 12.675 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -9.202 -0.401 12.371 1.00 2.82 O ATOM 0 H GLU A 107 -5.124 1.221 9.326 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.488 -0.398 11.159 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.023 1.959 10.648 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.440 1.540 8.999 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -9.497 1.820 10.138 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -9.302 0.091 9.923 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.845 -1.293 8.041 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.402 -2.287 7.141 1.00 0.37 C ATOM 1645 C HIS A 108 -6.577 -3.573 7.179 1.00 0.46 C ATOM 1646 O HIS A 108 -7.013 -4.617 6.697 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.486 -1.708 5.724 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.377 -0.501 5.656 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.974 0.710 5.133 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.642 -0.310 6.101 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -8.946 1.591 5.270 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -9.971 1.001 5.854 1.00 0.52 N ATOM 0 H HIS A 108 -6.164 -0.670 7.606 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.410 -2.543 7.466 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.486 -1.439 5.383 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.860 -2.472 5.043 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.275 -1.052 6.565 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -8.909 2.624 4.956 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -10.860 1.444 6.084 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.382 -3.484 7.752 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.505 -4.642 7.887 1.00 0.70 C ATOM 1663 C LEU A 109 -5.071 -5.617 8.906 1.00 0.79 C ATOM 1664 O LEU A 109 -5.167 -5.297 10.091 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.106 -4.206 8.318 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.449 -3.175 7.409 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.102 -2.764 7.967 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -2.306 -3.721 5.999 1.00 0.67 C ATOM 0 H LEU A 109 -4.997 -2.619 8.132 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.440 -5.135 6.917 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.163 -3.796 9.326 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.466 -5.087 8.367 1.00 0.96 H new ATOM 0 HG LEU A 109 -3.086 -2.292 7.367 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.644 -2.027 7.307 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.236 -2.330 8.958 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.455 -3.639 8.038 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.835 -2.971 5.364 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.689 -4.620 6.018 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -3.291 -3.965 5.602 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.455 -6.799 8.427 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.087 -7.819 9.267 1.00 1.67 C ATOM 1682 C ASN A 110 -7.348 -7.250 9.920 1.00 1.44 C ATOM 1683 O ASN A 110 -7.758 -7.659 11.007 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.099 -8.332 10.327 1.00 2.17 C ATOM 1685 CG ASN A 110 -5.590 -9.575 11.049 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -6.311 -10.401 10.484 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -5.202 -9.713 12.307 1.00 3.35 N ATOM 0 H ASN A 110 -5.339 -7.077 7.453 1.00 1.37 H new ATOM 0 HA ASN A 110 -6.375 -8.664 8.642 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -4.144 -8.550 9.849 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -4.917 -7.543 11.057 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -5.500 -10.526 12.846 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -4.605 -9.006 12.737 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.951 -6.286 9.239 1.00 1.12 N ATOM 1695 CA GLY A 111 -9.150 -5.655 9.735 1.00 1.12 C ATOM 1696 C GLY A 111 -10.227 -5.616 8.678 1.00 0.87 C ATOM 1697 O GLY A 111 -10.093 -6.258 7.633 1.00 0.93 O ATOM 0 H GLY A 111 -7.624 -5.929 8.341 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.514 -6.197 10.608 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -8.921 -4.641 10.062 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.308 -4.869 8.914 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.420 -4.776 7.971 1.00 0.93 C ATOM 1703 C PRO A 112 -12.112 -3.865 6.785 1.00 0.89 C ATOM 1704 O PRO A 112 -11.354 -2.895 6.898 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.544 -4.187 8.821 1.00 1.25 C ATOM 1706 CG PRO A 112 -12.852 -3.374 9.857 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.533 -4.052 10.120 1.00 1.10 C ATOM 0 HA PRO A 112 -12.658 -5.741 7.524 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.215 -3.573 8.220 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -14.150 -4.972 9.274 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -12.701 -2.352 9.511 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.448 -3.317 10.768 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -10.733 -3.326 10.266 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.572 -4.668 11.018 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.683 -4.200 5.641 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.565 -3.369 4.454 1.00 0.58 C ATOM 1717 C LEU A 113 -13.697 -2.354 4.410 1.00 0.69 C ATOM 1718 O LEU A 113 -14.811 -2.641 4.851 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.586 -4.232 3.195 1.00 0.58 C ATOM 1720 CG LEU A 113 -11.336 -5.083 2.974 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -11.437 -5.841 1.662 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -10.090 -4.208 3.004 1.00 1.05 C ATOM 0 H LEU A 113 -13.236 -5.047 5.508 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.615 -2.837 4.496 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.453 -4.891 3.239 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.723 -3.583 2.330 1.00 0.58 H new ATOM 0 HG LEU A 113 -11.260 -5.812 3.781 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -10.539 -6.442 1.519 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -12.310 -6.493 1.685 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.534 -5.133 0.839 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.207 -4.827 2.845 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.153 -3.457 2.216 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -10.017 -3.712 3.972 1.00 1.05 H new