USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=18 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 61 ASN : amide:sc= -3.16! K(o=-3.2!,f=-1.5) USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 15 MET CE :methyl 169:sc= -1.58 (180deg=-1.11) USER MOD Set 2.2: A 49 SER OG : rot -64:sc= -0.551! USER MOD Set 3.1: A 28 SER OG : rot 49:sc= 0.107 USER MOD Set 3.2: A 35 GLN : amide:sc= -1.1 K(o=-1.8,f=-2.9!) USER MOD Set 3.3: A 70 HIS : no HD1:sc= -0.846 K(o=-1.8,f=-0.22) USER MOD Single : A 13 CYS SG : rot 170:sc= -0.0242 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 0.833 (180deg=0.319) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 66:sc= 0.994 USER MOD Single : A 25 ASN : amide:sc= -0.0895 K(o=-0.089,f=-1.1) USER MOD Single : A 27 HIS : no HD1:sc= -2.03 K(o=-2,f=-0.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -96:sc= 1.37 USER MOD Single : A 54 GLN : amide:sc= -1.72! C(o=-1.7!,f=-6.4!) USER MOD Single : A 64 CYS SG : rot 33:sc= 0.128 USER MOD Single : A 65 MET CE :methyl -163:sc= -1.41 (180deg=-1.42) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.24) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.03) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 93:sc= 0.908 USER MOD Single : A 105 SER OG : rot 82:sc= -0.0407 USER MOD Single : A 106 GLN : amide:sc= -0.688! X(o=-0.69!,f=-0.8) USER MOD Single : A 108 HIS : no HD1:sc= -0.0169 K(o=-0.017,f=-1.1) USER MOD Single : A 110 ASN : amide:sc=-0.00707 K(o=-0.0071,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.741 -8.258 0.080 1.00 0.80 N ATOM 107 CA LEU A 8 -8.288 -7.105 -0.678 1.00 0.56 C ATOM 108 C LEU A 8 -7.848 -6.023 0.292 1.00 0.48 C ATOM 109 O LEU A 8 -8.489 -4.982 0.430 1.00 0.47 O ATOM 110 CB LEU A 8 -9.402 -6.589 -1.592 1.00 0.47 C ATOM 111 CG LEU A 8 -9.816 -7.544 -2.709 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.028 -6.996 -3.446 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.660 -7.767 -3.676 1.00 0.72 C ATOM 0 HA LEU A 8 -7.447 -7.392 -1.310 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.278 -6.366 -0.982 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.078 -5.649 -2.040 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.082 -8.504 -2.266 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.314 -7.686 -4.240 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.858 -6.883 -2.748 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.783 -6.026 -3.879 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.973 -8.450 -4.466 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.365 -6.814 -4.116 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.814 -8.196 -3.139 1.00 0.72 H new ATOM 125 N ARG A 9 -6.756 -6.299 0.974 1.00 0.52 N ATOM 126 CA ARG A 9 -6.263 -5.437 2.024 1.00 0.51 C ATOM 127 C ARG A 9 -4.810 -5.092 1.750 1.00 0.43 C ATOM 128 O ARG A 9 -4.120 -5.825 1.037 1.00 0.47 O ATOM 129 CB ARG A 9 -6.401 -6.137 3.386 1.00 0.69 C ATOM 130 CG ARG A 9 -5.564 -7.401 3.508 1.00 1.15 C ATOM 131 CD ARG A 9 -5.723 -8.058 4.869 1.00 1.21 C ATOM 132 NE ARG A 9 -7.063 -8.608 5.068 1.00 1.84 N ATOM 133 CZ ARG A 9 -7.366 -9.502 6.010 1.00 2.23 C ATOM 134 NH1 ARG A 9 -6.424 -9.947 6.838 1.00 2.21 N ATOM 135 NH2 ARG A 9 -8.609 -9.952 6.121 1.00 3.09 N ATOM 0 H ARG A 9 -6.185 -7.129 0.814 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.849 -4.518 2.048 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.111 -5.442 4.174 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.449 -6.388 3.552 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -5.855 -8.105 2.729 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.514 -7.158 3.343 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -4.987 -8.855 4.973 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -5.514 -7.327 5.649 1.00 1.21 H new ATOM 0 HE ARG A 9 -7.810 -8.289 4.450 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -5.467 -9.604 6.753 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -6.659 -10.631 7.557 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -9.332 -9.614 5.486 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -8.841 -10.636 6.841 1.00 3.09 H new ATOM 149 N PRO A 10 -4.324 -3.974 2.301 1.00 0.36 N ATOM 150 CA PRO A 10 -2.938 -3.562 2.124 1.00 0.30 C ATOM 151 C PRO A 10 -1.982 -4.548 2.782 1.00 0.28 C ATOM 152 O PRO A 10 -2.396 -5.400 3.572 1.00 0.38 O ATOM 153 CB PRO A 10 -2.878 -2.195 2.814 1.00 0.29 C ATOM 154 CG PRO A 10 -4.001 -2.209 3.788 1.00 0.47 C ATOM 155 CD PRO A 10 -5.076 -3.042 3.154 1.00 0.40 C ATOM 0 HA PRO A 10 -2.641 -3.522 1.076 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.922 -2.047 3.316 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.989 -1.384 2.094 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.687 -2.634 4.742 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.356 -1.199 3.991 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.669 -3.570 3.901 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.767 -2.432 2.572 1.00 0.40 H new ATOM 163 N ARG A 11 -0.714 -4.443 2.452 1.00 0.29 N ATOM 164 CA ARG A 11 0.294 -5.312 3.033 1.00 0.34 C ATOM 165 C ARG A 11 1.352 -4.483 3.749 1.00 0.27 C ATOM 166 O ARG A 11 1.845 -3.489 3.214 1.00 0.27 O ATOM 167 CB ARG A 11 0.926 -6.199 1.949 1.00 0.49 C ATOM 168 CG ARG A 11 1.457 -5.419 0.759 1.00 0.63 C ATOM 169 CD ARG A 11 1.923 -6.331 -0.365 1.00 1.00 C ATOM 170 NE ARG A 11 0.844 -7.187 -0.858 1.00 1.22 N ATOM 171 CZ ARG A 11 0.228 -7.019 -2.030 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.565 -6.017 -2.836 1.00 1.95 N ATOM 173 NH2 ARG A 11 -0.730 -7.858 -2.396 1.00 2.37 N ATOM 0 H ARG A 11 -0.352 -3.764 1.783 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.181 -5.964 3.766 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.741 -6.772 2.390 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.184 -6.917 1.600 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.678 -4.754 0.386 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.286 -4.789 1.081 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.310 -5.727 -1.185 1.00 1.00 H new ATOM 0 HD3 ARG A 11 2.746 -6.952 -0.011 1.00 1.00 H new ATOM 0 HE ARG A 11 0.543 -7.963 -0.268 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.301 -5.367 -2.561 1.00 1.95 H new ATOM 0 HH12 ARG A 11 0.087 -5.898 -3.729 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -0.994 -8.629 -1.783 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -1.203 -7.733 -3.291 1.00 2.37 H new ATOM 187 N LEU A 12 1.672 -4.877 4.973 1.00 0.29 N ATOM 188 CA LEU A 12 2.672 -4.173 5.755 1.00 0.26 C ATOM 189 C LEU A 12 4.006 -4.893 5.654 1.00 0.25 C ATOM 190 O LEU A 12 4.174 -6.003 6.166 1.00 0.32 O ATOM 191 CB LEU A 12 2.239 -4.064 7.221 1.00 0.34 C ATOM 192 CG LEU A 12 3.158 -3.222 8.112 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.195 -1.780 7.625 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.703 -3.285 9.562 1.00 1.28 C ATOM 0 H LEU A 12 1.253 -5.679 5.444 1.00 0.29 H new ATOM 0 HA LEU A 12 2.778 -3.164 5.356 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.236 -3.639 7.256 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.174 -5.068 7.640 1.00 0.34 H new ATOM 0 HG LEU A 12 4.166 -3.632 8.052 1.00 0.60 H new ATOM 0 HD11 LEU A 12 3.852 -1.195 8.269 1.00 1.32 H new ATOM 0 HD12 LEU A 12 3.570 -1.751 6.602 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.190 -1.360 7.655 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.368 -2.681 10.179 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.686 -2.901 9.641 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.728 -4.319 9.907 1.00 1.28 H new ATOM 206 N CYS A 13 4.943 -4.259 4.985 1.00 0.23 N ATOM 207 CA CYS A 13 6.259 -4.823 4.790 1.00 0.25 C ATOM 208 C CYS A 13 7.229 -4.231 5.803 1.00 0.22 C ATOM 209 O CYS A 13 7.461 -3.024 5.818 1.00 0.24 O ATOM 210 CB CYS A 13 6.731 -4.533 3.365 1.00 0.29 C ATOM 211 SG CYS A 13 5.504 -4.927 2.095 1.00 0.40 S ATOM 0 H CYS A 13 4.814 -3.340 4.562 1.00 0.23 H new ATOM 0 HA CYS A 13 6.220 -5.902 4.937 1.00 0.25 H new ATOM 0 HB2 CYS A 13 6.995 -3.478 3.287 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.639 -5.104 3.170 1.00 0.29 H new ATOM 0 HG CYS A 13 5.899 -4.456 0.949 1.00 0.40 H new ATOM 217 N THR A 14 7.781 -5.071 6.659 1.00 0.23 N ATOM 218 CA THR A 14 8.720 -4.606 7.662 1.00 0.24 C ATOM 219 C THR A 14 10.126 -5.019 7.263 1.00 0.22 C ATOM 220 O THR A 14 10.431 -6.210 7.166 1.00 0.25 O ATOM 221 CB THR A 14 8.380 -5.186 9.047 1.00 0.31 C ATOM 222 OG1 THR A 14 7.017 -4.881 9.368 1.00 0.35 O ATOM 223 CG2 THR A 14 9.296 -4.617 10.123 1.00 0.35 C ATOM 0 H THR A 14 7.596 -6.074 6.680 1.00 0.23 H new ATOM 0 HA THR A 14 8.655 -3.520 7.723 1.00 0.24 H new ATOM 0 HB THR A 14 8.525 -6.266 9.013 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.798 -5.251 10.249 1.00 0.35 H new ATOM 0 HG21 THR A 14 9.031 -5.045 11.090 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.331 -4.864 9.888 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.182 -3.534 10.163 1.00 0.35 H new ATOM 231 N MET A 15 10.975 -4.039 7.038 1.00 0.20 N ATOM 232 CA MET A 15 12.304 -4.293 6.521 1.00 0.19 C ATOM 233 C MET A 15 13.364 -3.679 7.416 1.00 0.21 C ATOM 234 O MET A 15 13.183 -2.585 7.950 1.00 0.21 O ATOM 235 CB MET A 15 12.439 -3.721 5.110 1.00 0.21 C ATOM 236 CG MET A 15 12.056 -2.253 5.020 1.00 0.24 C ATOM 237 SD MET A 15 10.385 -1.993 4.397 1.00 0.88 S ATOM 238 CE MET A 15 10.551 -2.646 2.743 1.00 0.28 C ATOM 0 H MET A 15 10.768 -3.054 7.206 1.00 0.20 H new ATOM 0 HA MET A 15 12.452 -5.373 6.494 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.468 -3.843 4.773 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.811 -4.296 4.430 1.00 0.21 H new ATOM 0 HG2 MET A 15 12.143 -1.800 6.008 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.764 -1.739 4.370 1.00 0.24 H new ATOM 0 HE1 MET A 15 9.565 -2.741 2.289 1.00 0.28 H new ATOM 0 HE2 MET A 15 11.163 -1.971 2.145 1.00 0.28 H new ATOM 0 HE3 MET A 15 11.027 -3.626 2.785 1.00 0.28 H new ATOM 248 N LYS A 16 14.468 -4.382 7.563 1.00 0.29 N ATOM 249 CA LYS A 16 15.577 -3.916 8.373 1.00 0.37 C ATOM 250 C LYS A 16 16.788 -3.663 7.485 1.00 0.40 C ATOM 251 O LYS A 16 17.029 -4.406 6.538 1.00 0.48 O ATOM 252 CB LYS A 16 15.911 -4.959 9.443 1.00 0.50 C ATOM 253 CG LYS A 16 17.078 -4.577 10.343 1.00 0.90 C ATOM 254 CD LYS A 16 17.389 -5.677 11.347 1.00 1.09 C ATOM 255 CE LYS A 16 17.704 -6.993 10.654 1.00 1.96 C ATOM 256 NZ LYS A 16 18.036 -8.068 11.626 1.00 2.58 N ATOM 0 H LYS A 16 14.623 -5.291 7.126 1.00 0.29 H new ATOM 0 HA LYS A 16 15.300 -2.984 8.866 1.00 0.37 H new ATOM 0 HB2 LYS A 16 15.029 -5.124 10.061 1.00 0.50 H new ATOM 0 HB3 LYS A 16 16.139 -5.906 8.953 1.00 0.50 H new ATOM 0 HG2 LYS A 16 17.960 -4.379 9.733 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.843 -3.654 10.873 1.00 0.90 H new ATOM 0 HD2 LYS A 16 18.236 -5.378 11.964 1.00 1.09 H new ATOM 0 HD3 LYS A 16 16.539 -5.811 12.016 1.00 1.09 H new ATOM 0 HE2 LYS A 16 16.849 -7.300 10.052 1.00 1.96 H new ATOM 0 HE3 LYS A 16 18.541 -6.851 9.970 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 18.244 -8.948 11.113 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 18.868 -7.787 12.183 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 17.228 -8.222 12.263 1.00 2.58 H new ATOM 270 N LYS A 17 17.514 -2.589 7.767 1.00 0.41 N ATOM 271 CA LYS A 17 18.749 -2.286 7.043 1.00 0.50 C ATOM 272 C LYS A 17 19.730 -3.444 7.189 1.00 0.60 C ATOM 273 O LYS A 17 20.331 -3.630 8.249 1.00 0.67 O ATOM 274 CB LYS A 17 19.386 -1.006 7.579 1.00 0.51 C ATOM 275 CG LYS A 17 19.699 0.027 6.512 1.00 0.52 C ATOM 276 CD LYS A 17 20.262 1.308 7.116 1.00 0.53 C ATOM 277 CE LYS A 17 19.232 2.000 7.989 1.00 0.62 C ATOM 278 NZ LYS A 17 19.811 3.128 8.767 1.00 0.92 N ATOM 0 H LYS A 17 17.272 -1.912 8.490 1.00 0.41 H new ATOM 0 HA LYS A 17 18.507 -2.143 5.990 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.716 -0.561 8.315 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.307 -1.263 8.101 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.416 -0.387 5.804 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.793 0.257 5.951 1.00 0.52 H new ATOM 0 HD2 LYS A 17 21.148 1.076 7.708 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.578 1.981 6.319 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.421 2.373 7.363 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.796 1.275 8.676 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.095 3.874 8.882 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.110 2.787 9.703 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 20.633 3.513 8.260 1.00 0.92 H new ATOM 292 N GLY A 18 19.884 -4.207 6.122 1.00 0.68 N ATOM 293 CA GLY A 18 20.655 -5.431 6.182 1.00 0.85 C ATOM 294 C GLY A 18 22.105 -5.244 5.789 1.00 1.05 C ATOM 295 O GLY A 18 22.754 -4.297 6.232 1.00 1.28 O ATOM 0 H GLY A 18 19.486 -4.000 5.206 1.00 0.68 H new ATOM 0 HA2 GLY A 18 20.609 -5.832 7.194 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.200 -6.172 5.524 1.00 0.85 H new ATOM 299 N PRO A 19 22.636 -6.144 4.948 1.00 1.24 N ATOM 300 CA PRO A 19 24.051 -6.144 4.556 1.00 1.57 C ATOM 301 C PRO A 19 24.472 -4.855 3.858 1.00 1.57 C ATOM 302 O PRO A 19 25.435 -4.204 4.259 1.00 2.23 O ATOM 303 CB PRO A 19 24.156 -7.323 3.583 1.00 1.91 C ATOM 304 CG PRO A 19 22.976 -8.182 3.879 1.00 1.86 C ATOM 305 CD PRO A 19 21.891 -7.245 4.314 1.00 1.40 C ATOM 0 HA PRO A 19 24.703 -6.224 5.426 1.00 1.57 H new ATOM 0 HB2 PRO A 19 24.144 -6.981 2.548 1.00 1.91 H new ATOM 0 HB3 PRO A 19 25.087 -7.871 3.727 1.00 1.91 H new ATOM 0 HG2 PRO A 19 22.674 -8.749 2.998 1.00 1.86 H new ATOM 0 HG3 PRO A 19 23.205 -8.906 4.661 1.00 1.86 H new ATOM 0 HD2 PRO A 19 21.297 -6.896 3.469 1.00 1.40 H new ATOM 0 HD3 PRO A 19 21.203 -7.721 5.013 1.00 1.40 H new ATOM 313 N SER A 20 23.747 -4.496 2.816 1.00 1.40 N ATOM 314 CA SER A 20 24.078 -3.328 2.021 1.00 1.65 C ATOM 315 C SER A 20 22.965 -2.290 2.101 1.00 1.43 C ATOM 316 O SER A 20 22.704 -1.559 1.140 1.00 1.93 O ATOM 317 CB SER A 20 24.312 -3.759 0.576 1.00 2.14 C ATOM 318 OG SER A 20 23.276 -4.628 0.146 1.00 2.87 O ATOM 0 H SER A 20 22.919 -5.000 2.498 1.00 1.40 H new ATOM 0 HA SER A 20 24.986 -2.870 2.412 1.00 1.65 H new ATOM 0 HB2 SER A 20 24.352 -2.882 -0.070 1.00 2.14 H new ATOM 0 HB3 SER A 20 25.276 -4.261 0.491 1.00 2.14 H new ATOM 0 HG SER A 20 23.438 -4.895 -0.783 1.00 2.87 H new ATOM 324 N GLY A 21 22.316 -2.226 3.255 1.00 1.04 N ATOM 325 CA GLY A 21 21.217 -1.305 3.430 1.00 0.94 C ATOM 326 C GLY A 21 19.902 -1.942 3.061 1.00 0.97 C ATOM 327 O GLY A 21 19.500 -2.942 3.655 1.00 1.93 O ATOM 0 H GLY A 21 22.533 -2.797 4.072 1.00 1.04 H new ATOM 0 HA2 GLY A 21 21.183 -0.970 4.467 1.00 0.94 H new ATOM 0 HA3 GLY A 21 21.380 -0.420 2.814 1.00 0.94 H new ATOM 331 N TYR A 22 19.230 -1.361 2.087 1.00 0.74 N ATOM 332 CA TYR A 22 18.003 -1.925 1.562 1.00 0.70 C ATOM 333 C TYR A 22 18.171 -2.196 0.070 1.00 0.89 C ATOM 334 O TYR A 22 19.174 -1.801 -0.526 1.00 1.82 O ATOM 335 CB TYR A 22 16.830 -0.972 1.787 1.00 0.64 C ATOM 336 CG TYR A 22 16.675 -0.479 3.211 1.00 0.50 C ATOM 337 CD1 TYR A 22 16.124 -1.285 4.202 1.00 0.47 C ATOM 338 CD2 TYR A 22 17.044 0.813 3.552 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.936 -0.807 5.482 1.00 0.46 C ATOM 340 CE2 TYR A 22 16.869 1.292 4.831 1.00 0.54 C ATOM 341 CZ TYR A 22 16.313 0.479 5.792 1.00 0.46 C ATOM 342 OH TYR A 22 16.125 0.962 7.063 1.00 0.59 O ATOM 0 H TYR A 22 19.517 -0.490 1.640 1.00 0.74 H new ATOM 0 HA TYR A 22 17.792 -2.858 2.085 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.949 -0.110 1.130 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.910 -1.475 1.489 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.839 -2.300 3.966 1.00 0.47 H new ATOM 0 HD2 TYR A 22 17.477 1.456 2.800 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.495 -1.440 6.238 1.00 0.46 H new ATOM 0 HE2 TYR A 22 17.166 2.300 5.079 1.00 0.54 H new ATOM 0 HH TYR A 22 16.698 0.470 7.688 1.00 0.59 H new ATOM 352 N GLY A 23 17.190 -2.846 -0.537 1.00 0.43 N ATOM 353 CA GLY A 23 17.301 -3.185 -1.941 1.00 0.42 C ATOM 354 C GLY A 23 16.010 -2.963 -2.703 1.00 0.39 C ATOM 355 O GLY A 23 15.314 -3.918 -3.044 1.00 0.39 O ATOM 0 H GLY A 23 16.324 -3.143 -0.087 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.092 -2.586 -2.393 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.598 -4.229 -2.035 1.00 0.42 H new ATOM 359 N PHE A 24 15.677 -1.705 -2.956 1.00 0.37 N ATOM 360 CA PHE A 24 14.493 -1.370 -3.738 1.00 0.36 C ATOM 361 C PHE A 24 14.657 0.000 -4.379 1.00 0.38 C ATOM 362 O PHE A 24 15.283 0.893 -3.805 1.00 0.40 O ATOM 363 CB PHE A 24 13.224 -1.406 -2.870 1.00 0.34 C ATOM 364 CG PHE A 24 13.175 -0.362 -1.784 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.837 -0.554 -0.582 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.457 0.812 -1.966 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.788 0.402 0.414 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.403 1.771 -0.973 1.00 0.36 C ATOM 369 CZ PHE A 24 13.069 1.566 0.219 1.00 0.36 C ATOM 0 H PHE A 24 16.210 -0.898 -2.631 1.00 0.37 H new ATOM 0 HA PHE A 24 14.384 -2.118 -4.523 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.355 -1.280 -3.516 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.141 -2.392 -2.412 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.398 -1.463 -0.422 1.00 0.33 H new ATOM 0 HD2 PHE A 24 11.934 0.978 -2.896 1.00 0.34 H new ATOM 0 HE1 PHE A 24 14.311 0.240 1.345 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.841 2.680 -1.129 1.00 0.36 H new ATOM 0 HZ PHE A 24 13.028 2.314 0.997 1.00 0.36 H new ATOM 379 N ASN A 25 14.123 0.153 -5.578 1.00 0.43 N ATOM 380 CA ASN A 25 14.152 1.432 -6.268 1.00 0.46 C ATOM 381 C ASN A 25 12.776 2.081 -6.179 1.00 0.42 C ATOM 382 O ASN A 25 11.756 1.393 -6.276 1.00 0.39 O ATOM 383 CB ASN A 25 14.562 1.245 -7.730 1.00 0.51 C ATOM 384 CG ASN A 25 15.092 2.525 -8.346 1.00 1.23 C ATOM 385 OD1 ASN A 25 14.336 3.340 -8.874 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.402 2.703 -8.298 1.00 1.65 N ATOM 0 H ASN A 25 13.662 -0.595 -6.096 1.00 0.43 H new ATOM 0 HA ASN A 25 14.888 2.080 -5.793 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.325 0.470 -7.795 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.704 0.896 -8.304 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.818 3.539 -8.708 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.996 2.004 -7.851 1.00 1.65 H new ATOM 393 N LEU A 26 12.740 3.391 -5.993 1.00 0.50 N ATOM 394 CA LEU A 26 11.488 4.083 -5.729 1.00 0.52 C ATOM 395 C LEU A 26 10.970 4.802 -6.976 1.00 0.55 C ATOM 396 O LEU A 26 11.742 5.212 -7.838 1.00 0.73 O ATOM 397 CB LEU A 26 11.671 5.068 -4.572 1.00 0.69 C ATOM 398 CG LEU A 26 10.376 5.575 -3.936 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.510 4.411 -3.483 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.690 6.475 -2.757 1.00 1.48 C ATOM 0 H LEU A 26 13.561 3.995 -6.020 1.00 0.50 H new ATOM 0 HA LEU A 26 10.741 3.340 -5.449 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.273 4.589 -3.800 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.240 5.925 -4.932 1.00 0.69 H new ATOM 0 HG LEU A 26 9.827 6.146 -4.684 1.00 0.87 H new ATOM 0 HD11 LEU A 26 8.593 4.793 -3.033 1.00 1.52 H new ATOM 0 HD12 LEU A 26 9.261 3.787 -4.341 1.00 1.52 H new ATOM 0 HD13 LEU A 26 10.054 3.817 -2.749 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.760 6.830 -2.312 1.00 1.48 H new ATOM 0 HD22 LEU A 26 11.258 5.916 -2.013 1.00 1.48 H new ATOM 0 HD23 LEU A 26 11.278 7.327 -3.097 1.00 1.48 H new ATOM 412 N HIS A 27 9.654 4.944 -7.055 1.00 0.56 N ATOM 413 CA HIS A 27 8.998 5.546 -8.212 1.00 0.67 C ATOM 414 C HIS A 27 8.448 6.917 -7.852 1.00 0.68 C ATOM 415 O HIS A 27 7.637 7.037 -6.935 1.00 0.95 O ATOM 416 CB HIS A 27 7.828 4.663 -8.647 1.00 1.23 C ATOM 417 CG HIS A 27 7.774 4.334 -10.105 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.119 5.105 -11.042 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.273 3.276 -10.780 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.219 4.534 -12.223 1.00 1.30 C ATOM 421 NE2 HIS A 27 7.915 3.425 -12.093 1.00 1.34 N ATOM 0 H HIS A 27 9.011 4.646 -6.322 1.00 0.56 H new ATOM 0 HA HIS A 27 9.729 5.641 -9.015 1.00 0.67 H new ATOM 0 HB2 HIS A 27 7.871 3.731 -8.084 1.00 1.23 H new ATOM 0 HB3 HIS A 27 6.898 5.160 -8.370 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.848 2.463 -10.362 1.00 0.81 H new ATOM 0 HE1 HIS A 27 6.800 4.912 -13.144 1.00 1.30 H new ATOM 0 HE2 HIS A 27 8.150 2.781 -12.848 1.00 1.34 H new ATOM 430 N SER A 28 8.880 7.935 -8.571 1.00 0.75 N ATOM 431 CA SER A 28 8.357 9.276 -8.383 1.00 1.14 C ATOM 432 C SER A 28 8.074 9.916 -9.737 1.00 1.03 C ATOM 433 O SER A 28 8.959 10.508 -10.362 1.00 1.34 O ATOM 434 CB SER A 28 9.338 10.120 -7.562 1.00 1.74 C ATOM 435 OG SER A 28 10.667 9.988 -8.041 1.00 2.30 O ATOM 0 H SER A 28 9.595 7.859 -9.294 1.00 0.75 H new ATOM 0 HA SER A 28 7.420 9.222 -7.829 1.00 1.14 H new ATOM 0 HB2 SER A 28 9.039 11.167 -7.601 1.00 1.74 H new ATOM 0 HB3 SER A 28 9.295 9.815 -6.516 1.00 1.74 H new ATOM 0 HG SER A 28 10.679 10.117 -9.012 1.00 2.30 H new ATOM 529 N GLN A 35 4.078 7.175 -4.286 1.00 0.74 N ATOM 530 CA GLN A 35 5.333 6.463 -4.468 1.00 0.59 C ATOM 531 C GLN A 35 5.073 4.994 -4.755 1.00 0.52 C ATOM 532 O GLN A 35 4.324 4.330 -4.037 1.00 0.58 O ATOM 533 CB GLN A 35 6.231 6.618 -3.239 1.00 0.58 C ATOM 534 CG GLN A 35 6.619 8.060 -2.947 1.00 0.82 C ATOM 535 CD GLN A 35 7.485 8.678 -4.028 1.00 0.75 C ATOM 536 OE1 GLN A 35 8.709 8.622 -3.965 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.860 9.278 -5.023 1.00 0.78 N ATOM 0 HA GLN A 35 5.850 6.898 -5.323 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.718 6.205 -2.370 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.137 6.029 -3.384 1.00 0.58 H new ATOM 0 HG2 GLN A 35 5.714 8.656 -2.831 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.152 8.101 -1.997 1.00 0.82 H new ATOM 0 HE21 GLN A 35 5.841 9.305 -5.043 1.00 0.78 H new ATOM 0 HE22 GLN A 35 7.396 9.715 -5.773 1.00 0.78 H new ATOM 546 N PHE A 36 5.682 4.503 -5.818 1.00 0.47 N ATOM 547 CA PHE A 36 5.543 3.111 -6.218 1.00 0.43 C ATOM 548 C PHE A 36 6.892 2.417 -6.117 1.00 0.39 C ATOM 549 O PHE A 36 7.936 3.070 -6.117 1.00 0.45 O ATOM 550 CB PHE A 36 5.019 3.003 -7.658 1.00 0.48 C ATOM 551 CG PHE A 36 3.739 3.752 -7.914 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.763 5.086 -8.285 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.513 3.122 -7.770 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.587 5.778 -8.510 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.335 3.808 -7.995 1.00 0.81 C ATOM 556 CZ PHE A 36 1.377 5.134 -8.408 1.00 0.87 C ATOM 0 H PHE A 36 6.286 5.054 -6.428 1.00 0.47 H new ATOM 0 HA PHE A 36 4.826 2.631 -5.552 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.785 3.375 -8.339 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.864 1.951 -7.897 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.710 5.591 -8.400 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.478 2.083 -7.478 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.619 6.827 -8.766 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.385 3.315 -7.850 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.463 5.656 -8.648 1.00 0.87 H new ATOM 566 N ILE A 37 6.876 1.107 -6.011 1.00 0.36 N ATOM 567 CA ILE A 37 8.105 0.337 -5.992 1.00 0.33 C ATOM 568 C ILE A 37 8.523 0.009 -7.419 1.00 0.33 C ATOM 569 O ILE A 37 7.913 -0.827 -8.080 1.00 0.38 O ATOM 570 CB ILE A 37 7.936 -0.964 -5.180 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.509 -0.635 -3.746 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.226 -1.775 -5.184 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.504 0.226 -2.994 1.00 0.38 C ATOM 0 H ILE A 37 6.025 0.549 -5.936 1.00 0.36 H new ATOM 0 HA ILE A 37 8.879 0.935 -5.511 1.00 0.33 H new ATOM 0 HB ILE A 37 7.158 -1.568 -5.648 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.547 -0.124 -3.772 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.361 -1.566 -3.198 1.00 0.39 H new ATOM 0 HG21 ILE A 37 9.084 -2.688 -4.606 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.491 -2.033 -6.210 1.00 0.33 H new ATOM 0 HG23 ILE A 37 10.028 -1.185 -4.740 1.00 0.33 H new ATOM 0 HD11 ILE A 37 8.132 0.416 -1.987 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.462 -0.291 -2.936 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.635 1.173 -3.518 1.00 0.38 H new ATOM 585 N ARG A 38 9.564 0.690 -7.890 1.00 0.34 N ATOM 586 CA ARG A 38 10.029 0.543 -9.263 1.00 0.41 C ATOM 587 C ARG A 38 10.556 -0.866 -9.486 1.00 0.40 C ATOM 588 O ARG A 38 10.173 -1.547 -10.435 1.00 0.49 O ATOM 589 CB ARG A 38 11.122 1.571 -9.560 1.00 0.50 C ATOM 590 CG ARG A 38 11.379 1.796 -11.040 1.00 0.67 C ATOM 591 CD ARG A 38 12.488 2.810 -11.247 1.00 1.24 C ATOM 592 NE ARG A 38 12.560 3.302 -12.623 1.00 1.56 N ATOM 593 CZ ARG A 38 13.697 3.406 -13.312 1.00 2.17 C ATOM 594 NH1 ARG A 38 14.828 2.930 -12.807 1.00 2.83 N ATOM 595 NH2 ARG A 38 13.695 3.955 -14.517 1.00 2.62 N ATOM 0 H ARG A 38 10.104 1.354 -7.335 1.00 0.34 H new ATOM 0 HA ARG A 38 9.193 0.716 -9.941 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.846 2.521 -9.102 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.049 1.246 -9.087 1.00 0.50 H new ATOM 0 HG2 ARG A 38 11.650 0.853 -11.514 1.00 0.67 H new ATOM 0 HG3 ARG A 38 10.466 2.145 -11.523 1.00 0.67 H new ATOM 0 HD2 ARG A 38 12.334 3.652 -10.573 1.00 1.24 H new ATOM 0 HD3 ARG A 38 13.442 2.357 -10.978 1.00 1.24 H new ATOM 0 HE ARG A 38 11.692 3.581 -13.081 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.829 2.483 -11.890 1.00 2.83 H new ATOM 0 HH12 ARG A 38 15.696 3.011 -13.336 1.00 2.83 H new ATOM 0 HH21 ARG A 38 12.823 4.299 -14.919 1.00 2.62 H new ATOM 0 HH22 ARG A 38 14.565 4.034 -15.043 1.00 2.62 H new ATOM 609 N SER A 39 11.425 -1.296 -8.589 1.00 0.36 N ATOM 610 CA SER A 39 11.981 -2.633 -8.636 1.00 0.40 C ATOM 611 C SER A 39 12.551 -3.004 -7.276 1.00 0.32 C ATOM 612 O SER A 39 13.230 -2.197 -6.641 1.00 0.37 O ATOM 613 CB SER A 39 13.068 -2.722 -9.716 1.00 0.54 C ATOM 614 OG SER A 39 14.018 -1.679 -9.575 1.00 1.26 O ATOM 0 H SER A 39 11.763 -0.730 -7.811 1.00 0.36 H new ATOM 0 HA SER A 39 11.188 -3.337 -8.889 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.571 -3.687 -9.651 1.00 0.54 H new ATOM 0 HB3 SER A 39 12.609 -2.668 -10.703 1.00 0.54 H new ATOM 0 HG SER A 39 14.700 -1.761 -10.274 1.00 1.26 H new ATOM 620 N VAL A 40 12.243 -4.201 -6.811 1.00 0.36 N ATOM 621 CA VAL A 40 12.812 -4.690 -5.572 1.00 0.30 C ATOM 622 C VAL A 40 13.889 -5.718 -5.883 1.00 0.31 C ATOM 623 O VAL A 40 13.698 -6.603 -6.720 1.00 0.37 O ATOM 624 CB VAL A 40 11.735 -5.286 -4.632 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.052 -6.496 -5.250 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.339 -5.639 -3.283 1.00 0.32 C ATOM 0 H VAL A 40 11.604 -4.849 -7.272 1.00 0.36 H new ATOM 0 HA VAL A 40 13.256 -3.846 -5.043 1.00 0.30 H new ATOM 0 HB VAL A 40 10.971 -4.523 -4.483 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.304 -6.884 -4.559 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.568 -6.204 -6.182 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.794 -7.268 -5.453 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.567 -6.056 -2.637 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.133 -6.373 -3.421 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.751 -4.741 -2.823 1.00 0.32 H new ATOM 636 N ASP A 41 15.032 -5.576 -5.238 1.00 0.35 N ATOM 637 CA ASP A 41 16.172 -6.439 -5.506 1.00 0.45 C ATOM 638 C ASP A 41 15.940 -7.800 -4.866 1.00 0.48 C ATOM 639 O ASP A 41 15.489 -7.883 -3.723 1.00 0.51 O ATOM 640 CB ASP A 41 17.450 -5.796 -4.964 1.00 0.54 C ATOM 641 CG ASP A 41 18.696 -6.313 -5.655 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.900 -5.995 -6.841 1.00 1.32 O ATOM 643 OD2 ASP A 41 19.465 -7.067 -5.015 1.00 2.28 O ATOM 0 H ASP A 41 15.198 -4.869 -4.522 1.00 0.35 H new ATOM 0 HA ASP A 41 16.285 -6.573 -6.582 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.391 -4.715 -5.089 1.00 0.54 H new ATOM 0 HB3 ASP A 41 17.525 -5.989 -3.894 1.00 0.54 H new ATOM 648 N PRO A 42 16.215 -8.882 -5.615 1.00 0.58 N ATOM 649 CA PRO A 42 15.987 -10.258 -5.156 1.00 0.69 C ATOM 650 C PRO A 42 16.647 -10.559 -3.816 1.00 0.69 C ATOM 651 O PRO A 42 17.793 -10.174 -3.582 1.00 1.17 O ATOM 652 CB PRO A 42 16.614 -11.113 -6.262 1.00 0.84 C ATOM 653 CG PRO A 42 16.570 -10.251 -7.472 1.00 0.93 C ATOM 654 CD PRO A 42 16.762 -8.845 -6.982 1.00 0.69 C ATOM 0 HA PRO A 42 14.927 -10.451 -4.991 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.637 -11.395 -6.013 1.00 0.84 H new ATOM 0 HB3 PRO A 42 16.056 -12.037 -6.413 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.352 -10.529 -8.178 1.00 0.93 H new ATOM 0 HG3 PRO A 42 15.618 -10.357 -7.993 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.814 -8.558 -6.986 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.233 -8.126 -7.607 1.00 0.69 H new ATOM 662 N ASP A 43 15.891 -11.244 -2.947 1.00 0.75 N ATOM 663 CA ASP A 43 16.338 -11.661 -1.608 1.00 0.87 C ATOM 664 C ASP A 43 17.080 -10.559 -0.863 1.00 0.70 C ATOM 665 O ASP A 43 18.050 -10.810 -0.145 1.00 0.86 O ATOM 666 CB ASP A 43 17.168 -12.961 -1.636 1.00 1.14 C ATOM 667 CG ASP A 43 18.328 -12.960 -2.613 1.00 1.69 C ATOM 668 OD1 ASP A 43 19.431 -12.520 -2.221 1.00 2.40 O ATOM 669 OD2 ASP A 43 18.140 -13.360 -3.782 1.00 1.92 O ATOM 0 H ASP A 43 14.935 -11.530 -3.157 1.00 0.75 H new ATOM 0 HA ASP A 43 15.424 -11.869 -1.052 1.00 0.87 H new ATOM 0 HB2 ASP A 43 17.556 -13.148 -0.635 1.00 1.14 H new ATOM 0 HB3 ASP A 43 16.506 -13.792 -1.882 1.00 1.14 H new ATOM 674 N SER A 44 16.604 -9.341 -1.022 1.00 0.57 N ATOM 675 CA SER A 44 17.118 -8.223 -0.261 1.00 0.48 C ATOM 676 C SER A 44 16.255 -8.038 0.976 1.00 0.40 C ATOM 677 O SER A 44 15.165 -8.613 1.045 1.00 0.39 O ATOM 678 CB SER A 44 17.107 -6.948 -1.109 1.00 0.47 C ATOM 679 OG SER A 44 15.781 -6.594 -1.473 1.00 0.46 O ATOM 0 H SER A 44 15.858 -9.101 -1.675 1.00 0.57 H new ATOM 0 HA SER A 44 18.148 -8.424 0.033 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.566 -6.131 -0.551 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.707 -7.098 -2.006 1.00 0.47 H new ATOM 0 HG SER A 44 15.582 -6.946 -2.366 1.00 0.46 H new ATOM 685 N PRO A 45 16.699 -7.261 1.971 1.00 0.43 N ATOM 686 CA PRO A 45 15.876 -6.964 3.142 1.00 0.45 C ATOM 687 C PRO A 45 14.525 -6.368 2.741 1.00 0.38 C ATOM 688 O PRO A 45 13.511 -6.581 3.405 1.00 0.39 O ATOM 689 CB PRO A 45 16.710 -5.950 3.935 1.00 0.57 C ATOM 690 CG PRO A 45 17.782 -5.496 3.004 1.00 0.65 C ATOM 691 CD PRO A 45 18.024 -6.634 2.060 1.00 0.52 C ATOM 0 HA PRO A 45 15.640 -7.858 3.718 1.00 0.45 H new ATOM 0 HB2 PRO A 45 16.097 -5.111 4.265 1.00 0.57 H new ATOM 0 HB3 PRO A 45 17.135 -6.406 4.829 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.475 -4.600 2.464 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.691 -5.243 3.550 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.375 -6.287 1.088 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.775 -7.325 2.442 1.00 0.52 H new ATOM 699 N ALA A 46 14.517 -5.654 1.618 1.00 0.35 N ATOM 700 CA ALA A 46 13.296 -5.057 1.106 1.00 0.33 C ATOM 701 C ALA A 46 12.347 -6.130 0.601 1.00 0.30 C ATOM 702 O ALA A 46 11.160 -6.114 0.908 1.00 0.31 O ATOM 703 CB ALA A 46 13.609 -4.070 -0.003 1.00 0.36 C ATOM 0 H ALA A 46 15.345 -5.477 1.048 1.00 0.35 H new ATOM 0 HA ALA A 46 12.811 -4.521 1.922 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.682 -3.633 -0.374 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.253 -3.280 0.384 1.00 0.36 H new ATOM 0 HB3 ALA A 46 14.118 -4.587 -0.817 1.00 0.36 H new ATOM 709 N GLU A 47 12.874 -7.075 -0.164 1.00 0.31 N ATOM 710 CA GLU A 47 12.050 -8.145 -0.709 1.00 0.33 C ATOM 711 C GLU A 47 11.603 -9.091 0.403 1.00 0.34 C ATOM 712 O GLU A 47 10.487 -9.608 0.378 1.00 0.40 O ATOM 713 CB GLU A 47 12.808 -8.915 -1.794 1.00 0.40 C ATOM 714 CG GLU A 47 11.941 -9.920 -2.539 1.00 0.53 C ATOM 715 CD GLU A 47 12.732 -10.782 -3.500 1.00 1.12 C ATOM 716 OE1 GLU A 47 12.885 -10.382 -4.672 1.00 1.51 O ATOM 717 OE2 GLU A 47 13.207 -11.856 -3.092 1.00 2.01 O ATOM 0 H GLU A 47 13.860 -7.123 -0.420 1.00 0.31 H new ATOM 0 HA GLU A 47 11.165 -7.698 -1.163 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.225 -8.205 -2.509 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.648 -9.439 -1.338 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.434 -10.560 -1.817 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.167 -9.386 -3.090 1.00 0.53 H new ATOM 724 N ALA A 48 12.471 -9.282 1.392 1.00 0.34 N ATOM 725 CA ALA A 48 12.193 -10.181 2.508 1.00 0.38 C ATOM 726 C ALA A 48 11.010 -9.702 3.346 1.00 0.37 C ATOM 727 O ALA A 48 10.347 -10.499 4.010 1.00 0.47 O ATOM 728 CB ALA A 48 13.429 -10.332 3.380 1.00 0.44 C ATOM 0 H ALA A 48 13.380 -8.822 1.443 1.00 0.34 H new ATOM 0 HA ALA A 48 11.926 -11.151 2.090 1.00 0.38 H new ATOM 0 HB1 ALA A 48 13.209 -11.005 4.209 1.00 0.44 H new ATOM 0 HB2 ALA A 48 14.245 -10.743 2.786 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.720 -9.357 3.771 1.00 0.44 H new ATOM 734 N SER A 49 10.742 -8.402 3.315 1.00 0.31 N ATOM 735 CA SER A 49 9.631 -7.834 4.063 1.00 0.32 C ATOM 736 C SER A 49 8.303 -8.139 3.373 1.00 0.35 C ATOM 737 O SER A 49 7.227 -7.975 3.955 1.00 0.40 O ATOM 738 CB SER A 49 9.823 -6.325 4.194 1.00 0.32 C ATOM 739 OG SER A 49 9.667 -5.677 2.947 1.00 0.31 O ATOM 0 H SER A 49 11.281 -7.722 2.779 1.00 0.31 H new ATOM 0 HA SER A 49 9.609 -8.283 5.056 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.102 -5.925 4.907 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.815 -6.116 4.593 1.00 0.32 H new ATOM 0 HG SER A 49 10.368 -5.978 2.332 1.00 0.31 H new ATOM 745 N GLY A 50 8.394 -8.595 2.130 1.00 0.36 N ATOM 746 CA GLY A 50 7.210 -8.878 1.348 1.00 0.43 C ATOM 747 C GLY A 50 6.885 -7.753 0.390 1.00 0.43 C ATOM 748 O GLY A 50 5.718 -7.426 0.180 1.00 0.62 O ATOM 0 H GLY A 50 9.275 -8.774 1.648 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.357 -9.801 0.787 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.364 -9.042 2.016 1.00 0.43 H new ATOM 752 N LEU A 51 7.918 -7.146 -0.180 1.00 0.41 N ATOM 753 CA LEU A 51 7.730 -6.052 -1.118 1.00 0.40 C ATOM 754 C LEU A 51 7.466 -6.598 -2.518 1.00 0.48 C ATOM 755 O LEU A 51 7.972 -7.662 -2.883 1.00 0.65 O ATOM 756 CB LEU A 51 8.963 -5.149 -1.122 1.00 0.38 C ATOM 757 CG LEU A 51 8.762 -3.769 -1.748 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.681 -2.999 -1.004 1.00 0.38 C ATOM 759 CD2 LEU A 51 10.069 -2.994 -1.748 1.00 0.37 C ATOM 0 H LEU A 51 8.892 -7.394 -0.008 1.00 0.41 H new ATOM 0 HA LEU A 51 6.867 -5.464 -0.807 1.00 0.40 H new ATOM 0 HB2 LEU A 51 9.300 -5.017 -0.094 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.764 -5.659 -1.657 1.00 0.38 H new ATOM 0 HG LEU A 51 8.439 -3.899 -2.781 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.551 -2.019 -1.463 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.742 -3.550 -1.054 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.974 -2.875 0.038 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.911 -2.013 -2.197 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.420 -2.872 -0.723 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.816 -3.540 -2.324 1.00 0.37 H new ATOM 771 N ARG A 52 6.676 -5.868 -3.290 1.00 0.53 N ATOM 772 CA ARG A 52 6.280 -6.299 -4.625 1.00 0.65 C ATOM 773 C ARG A 52 6.547 -5.189 -5.644 1.00 0.55 C ATOM 774 O ARG A 52 6.534 -4.006 -5.301 1.00 0.61 O ATOM 775 CB ARG A 52 4.793 -6.671 -4.615 1.00 0.86 C ATOM 776 CG ARG A 52 4.252 -7.093 -5.970 1.00 1.23 C ATOM 777 CD ARG A 52 2.745 -7.268 -5.937 1.00 2.05 C ATOM 778 NE ARG A 52 2.189 -7.435 -7.275 1.00 2.59 N ATOM 779 CZ ARG A 52 1.665 -6.442 -7.990 1.00 3.57 C ATOM 780 NH1 ARG A 52 1.597 -5.216 -7.485 1.00 4.13 N ATOM 781 NH2 ARG A 52 1.203 -6.685 -9.208 1.00 4.38 N ATOM 0 H ARG A 52 6.292 -4.965 -3.012 1.00 0.53 H new ATOM 0 HA ARG A 52 6.867 -7.171 -4.912 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.637 -7.483 -3.904 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.218 -5.818 -4.256 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.516 -6.345 -6.717 1.00 1.23 H new ATOM 0 HG3 ARG A 52 4.721 -8.028 -6.275 1.00 1.23 H new ATOM 0 HD2 ARG A 52 2.493 -8.136 -5.328 1.00 2.05 H new ATOM 0 HD3 ARG A 52 2.289 -6.401 -5.460 1.00 2.05 H new ATOM 0 HE ARG A 52 2.202 -8.368 -7.687 1.00 2.59 H new ATOM 0 HH11 ARG A 52 1.947 -5.031 -6.545 1.00 4.13 H new ATOM 0 HH12 ARG A 52 1.195 -4.459 -8.037 1.00 4.13 H new ATOM 0 HH21 ARG A 52 1.250 -7.629 -9.592 1.00 4.38 H new ATOM 0 HH22 ARG A 52 0.800 -5.928 -9.761 1.00 4.38 H new ATOM 795 N ALA A 53 6.803 -5.578 -6.890 1.00 0.53 N ATOM 796 CA ALA A 53 7.074 -4.620 -7.957 1.00 0.54 C ATOM 797 C ALA A 53 5.805 -3.881 -8.377 1.00 0.61 C ATOM 798 O ALA A 53 4.760 -4.500 -8.598 1.00 1.44 O ATOM 799 CB ALA A 53 7.697 -5.324 -9.153 1.00 0.68 C ATOM 0 H ALA A 53 6.828 -6.554 -7.186 1.00 0.53 H new ATOM 0 HA ALA A 53 7.779 -3.882 -7.574 1.00 0.54 H new ATOM 0 HB1 ALA A 53 7.894 -4.597 -9.941 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.633 -5.794 -8.851 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.011 -6.086 -9.525 1.00 0.68 H new ATOM 805 N GLN A 54 5.926 -2.558 -8.490 1.00 0.65 N ATOM 806 CA GLN A 54 4.815 -1.671 -8.850 1.00 0.74 C ATOM 807 C GLN A 54 3.738 -1.655 -7.772 1.00 0.59 C ATOM 808 O GLN A 54 2.554 -1.461 -8.057 1.00 0.67 O ATOM 809 CB GLN A 54 4.216 -2.033 -10.214 1.00 0.99 C ATOM 810 CG GLN A 54 5.090 -1.644 -11.402 1.00 1.46 C ATOM 811 CD GLN A 54 5.241 -0.139 -11.570 1.00 2.34 C ATOM 812 OE1 GLN A 54 5.242 0.622 -10.601 1.00 2.99 O ATOM 813 NE2 GLN A 54 5.338 0.305 -12.811 1.00 3.06 N ATOM 0 H GLN A 54 6.805 -2.066 -8.333 1.00 0.65 H new ATOM 0 HA GLN A 54 5.227 -0.665 -8.927 1.00 0.74 H new ATOM 0 HB2 GLN A 54 4.036 -3.108 -10.246 1.00 0.99 H new ATOM 0 HB3 GLN A 54 3.247 -1.544 -10.314 1.00 0.99 H new ATOM 0 HG2 GLN A 54 6.077 -2.090 -11.280 1.00 1.46 H new ATOM 0 HG3 GLN A 54 4.661 -2.063 -12.312 1.00 1.46 H new ATOM 0 HE21 GLN A 54 5.334 -0.353 -13.590 1.00 3.06 H new ATOM 0 HE22 GLN A 54 5.417 1.306 -12.990 1.00 3.06 H new ATOM 822 N ASP A 55 4.154 -1.870 -6.533 1.00 0.47 N ATOM 823 CA ASP A 55 3.266 -1.718 -5.392 1.00 0.45 C ATOM 824 C ASP A 55 3.318 -0.279 -4.910 1.00 0.39 C ATOM 825 O ASP A 55 4.393 0.319 -4.839 1.00 0.48 O ATOM 826 CB ASP A 55 3.661 -2.676 -4.263 1.00 0.50 C ATOM 827 CG ASP A 55 2.634 -3.770 -4.041 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.252 -4.444 -5.022 1.00 1.02 O ATOM 829 OD2 ASP A 55 2.202 -3.962 -2.885 1.00 1.01 O ATOM 0 H ASP A 55 5.104 -2.151 -6.292 1.00 0.47 H new ATOM 0 HA ASP A 55 2.248 -1.964 -5.696 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.625 -3.129 -4.496 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.790 -2.111 -3.340 1.00 0.50 H new ATOM 834 N ARG A 56 2.164 0.289 -4.612 1.00 0.38 N ATOM 835 CA ARG A 56 2.094 1.683 -4.202 1.00 0.42 C ATOM 836 C ARG A 56 2.219 1.804 -2.691 1.00 0.39 C ATOM 837 O ARG A 56 1.495 1.140 -1.950 1.00 0.39 O ATOM 838 CB ARG A 56 0.780 2.311 -4.694 1.00 0.56 C ATOM 839 CG ARG A 56 0.600 3.787 -4.340 1.00 0.78 C ATOM 840 CD ARG A 56 0.025 3.966 -2.939 1.00 0.79 C ATOM 841 NE ARG A 56 -1.147 4.836 -2.913 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.363 4.453 -3.286 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.559 3.242 -3.787 1.00 1.51 N ATOM 844 NH2 ARG A 56 -3.382 5.284 -3.168 1.00 1.57 N ATOM 0 H ARG A 56 1.264 -0.190 -4.645 1.00 0.38 H new ATOM 0 HA ARG A 56 2.927 2.223 -4.652 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.726 2.203 -5.777 1.00 0.56 H new ATOM 0 HB3 ARG A 56 -0.054 1.748 -4.275 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.561 4.297 -4.407 1.00 0.78 H new ATOM 0 HG3 ARG A 56 -0.061 4.257 -5.067 1.00 0.78 H new ATOM 0 HD2 ARG A 56 -0.244 2.990 -2.535 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.793 4.380 -2.286 1.00 0.79 H new ATOM 0 HE ARG A 56 -1.025 5.795 -2.589 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.774 2.599 -3.888 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -3.495 2.953 -4.072 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.236 6.220 -2.790 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -4.316 4.990 -3.454 1.00 1.57 H new ATOM 858 N ILE A 57 3.122 2.669 -2.245 1.00 0.40 N ATOM 859 CA ILE A 57 3.322 2.902 -0.821 1.00 0.38 C ATOM 860 C ILE A 57 2.292 3.899 -0.313 1.00 0.38 C ATOM 861 O ILE A 57 2.186 5.010 -0.830 1.00 0.49 O ATOM 862 CB ILE A 57 4.737 3.449 -0.525 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.807 2.531 -1.126 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.947 3.603 0.978 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.221 3.025 -0.912 1.00 0.68 C ATOM 0 H ILE A 57 3.728 3.222 -2.851 1.00 0.40 H new ATOM 0 HA ILE A 57 3.208 1.945 -0.312 1.00 0.38 H new ATOM 0 HB ILE A 57 4.829 4.431 -0.988 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.708 1.538 -0.689 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.625 2.428 -2.196 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.948 3.989 1.168 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.208 4.297 1.379 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.834 2.633 1.462 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.923 2.325 -1.364 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.338 4.005 -1.374 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.422 3.101 0.157 1.00 0.68 H new ATOM 877 N VAL A 58 1.533 3.495 0.692 1.00 0.29 N ATOM 878 CA VAL A 58 0.494 4.343 1.253 1.00 0.32 C ATOM 879 C VAL A 58 0.922 4.890 2.608 1.00 0.30 C ATOM 880 O VAL A 58 0.598 6.020 2.963 1.00 0.37 O ATOM 881 CB VAL A 58 -0.836 3.583 1.420 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.971 4.558 1.681 1.00 0.87 C ATOM 883 CG2 VAL A 58 -1.127 2.724 0.198 1.00 0.62 C ATOM 0 H VAL A 58 1.617 2.581 1.138 1.00 0.29 H new ATOM 0 HA VAL A 58 0.342 5.164 0.552 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.748 2.919 2.280 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.904 4.007 1.797 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.766 5.120 2.592 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -2.059 5.248 0.841 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -2.071 2.197 0.340 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -1.195 3.359 -0.685 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.324 1.999 0.063 1.00 0.62 H new ATOM 893 N GLU A 59 1.655 4.082 3.363 1.00 0.24 N ATOM 894 CA GLU A 59 2.135 4.489 4.680 1.00 0.25 C ATOM 895 C GLU A 59 3.587 4.087 4.885 1.00 0.22 C ATOM 896 O GLU A 59 4.020 3.027 4.431 1.00 0.23 O ATOM 897 CB GLU A 59 1.297 3.863 5.799 1.00 0.29 C ATOM 898 CG GLU A 59 -0.038 4.538 6.048 1.00 0.40 C ATOM 899 CD GLU A 59 -0.719 3.999 7.295 1.00 0.44 C ATOM 900 OE1 GLU A 59 -0.104 4.030 8.381 1.00 0.89 O ATOM 901 OE2 GLU A 59 -1.877 3.543 7.193 1.00 0.43 O ATOM 0 H GLU A 59 1.931 3.140 3.087 1.00 0.24 H new ATOM 0 HA GLU A 59 2.045 5.574 4.722 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.119 2.815 5.557 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.876 3.883 6.722 1.00 0.29 H new ATOM 0 HG2 GLU A 59 0.112 5.613 6.151 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.688 4.388 5.186 1.00 0.40 H new ATOM 908 N VAL A 60 4.331 4.945 5.562 1.00 0.22 N ATOM 909 CA VAL A 60 5.668 4.609 6.022 1.00 0.21 C ATOM 910 C VAL A 60 5.728 4.770 7.533 1.00 0.22 C ATOM 911 O VAL A 60 5.660 5.887 8.040 1.00 0.27 O ATOM 912 CB VAL A 60 6.759 5.485 5.376 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.139 5.050 5.846 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.675 5.423 3.861 1.00 0.66 C ATOM 0 H VAL A 60 4.028 5.888 5.807 1.00 0.22 H new ATOM 0 HA VAL A 60 5.865 3.578 5.728 1.00 0.21 H new ATOM 0 HB VAL A 60 6.593 6.517 5.687 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.897 5.679 5.380 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.202 5.148 6.930 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.308 4.010 5.566 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.455 6.049 3.427 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.811 4.393 3.531 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.699 5.782 3.536 1.00 0.66 H new ATOM 924 N ASN A 61 5.811 3.638 8.231 1.00 0.25 N ATOM 925 CA ASN A 61 5.803 3.578 9.698 1.00 0.30 C ATOM 926 C ASN A 61 4.696 4.449 10.290 1.00 0.36 C ATOM 927 O ASN A 61 4.880 5.149 11.285 1.00 0.47 O ATOM 928 CB ASN A 61 7.187 3.884 10.329 1.00 0.39 C ATOM 929 CG ASN A 61 7.741 5.274 10.044 1.00 0.53 C ATOM 930 OD1 ASN A 61 7.425 6.239 10.737 1.00 1.17 O ATOM 931 ND2 ASN A 61 8.621 5.369 9.057 1.00 0.61 N ATOM 0 H ASN A 61 5.887 2.722 7.790 1.00 0.25 H new ATOM 0 HA ASN A 61 5.582 2.543 9.960 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.112 3.756 11.409 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.903 3.145 9.969 1.00 0.39 H new ATOM 0 HD21 ASN A 61 9.061 6.266 8.851 1.00 0.61 H new ATOM 0 HD22 ASN A 61 8.858 4.545 8.504 1.00 0.61 H new ATOM 938 N GLY A 62 3.529 4.363 9.668 1.00 0.37 N ATOM 939 CA GLY A 62 2.348 5.024 10.179 1.00 0.50 C ATOM 940 C GLY A 62 2.096 6.396 9.582 1.00 0.51 C ATOM 941 O GLY A 62 1.079 7.027 9.878 1.00 0.66 O ATOM 0 H GLY A 62 3.380 3.839 8.806 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.480 4.392 9.988 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.439 5.122 11.261 1.00 0.50 H new ATOM 945 N VAL A 63 3.004 6.876 8.748 1.00 0.42 N ATOM 946 CA VAL A 63 2.798 8.157 8.086 1.00 0.50 C ATOM 947 C VAL A 63 2.267 7.948 6.677 1.00 0.43 C ATOM 948 O VAL A 63 2.909 7.304 5.845 1.00 0.39 O ATOM 949 CB VAL A 63 4.085 9.002 8.030 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.789 10.384 7.461 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.718 9.113 9.411 1.00 1.17 C ATOM 0 H VAL A 63 3.879 6.407 8.514 1.00 0.42 H new ATOM 0 HA VAL A 63 2.066 8.704 8.680 1.00 0.50 H new ATOM 0 HB VAL A 63 4.795 8.503 7.371 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.708 10.969 7.428 1.00 0.98 H new ATOM 0 HG12 VAL A 63 3.386 10.284 6.453 1.00 0.98 H new ATOM 0 HG13 VAL A 63 3.060 10.890 8.094 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.625 9.714 9.348 1.00 1.17 H new ATOM 0 HG22 VAL A 63 4.015 9.587 10.096 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.967 8.117 9.778 1.00 1.17 H new ATOM 961 N CYS A 64 1.083 8.484 6.432 1.00 0.49 N ATOM 962 CA CYS A 64 0.428 8.378 5.145 1.00 0.49 C ATOM 963 C CYS A 64 1.180 9.171 4.080 1.00 0.47 C ATOM 964 O CYS A 64 1.506 10.342 4.276 1.00 0.51 O ATOM 965 CB CYS A 64 -1.005 8.876 5.278 1.00 0.59 C ATOM 966 SG CYS A 64 -1.150 10.516 6.029 1.00 1.68 S ATOM 0 H CYS A 64 0.549 9.007 7.126 1.00 0.49 H new ATOM 0 HA CYS A 64 0.423 7.335 4.829 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.464 8.899 4.289 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.572 8.163 5.876 1.00 0.59 H new ATOM 0 HG CYS A 64 -0.121 11.238 5.697 1.00 1.68 H new ATOM 972 N MET A 65 1.441 8.527 2.954 1.00 0.48 N ATOM 973 CA MET A 65 2.256 9.119 1.897 1.00 0.53 C ATOM 974 C MET A 65 1.465 9.309 0.604 1.00 0.61 C ATOM 975 O MET A 65 1.954 9.004 -0.484 1.00 0.81 O ATOM 976 CB MET A 65 3.485 8.247 1.633 1.00 0.61 C ATOM 977 CG MET A 65 4.406 8.126 2.835 1.00 0.63 C ATOM 978 SD MET A 65 5.061 9.719 3.369 1.00 0.61 S ATOM 979 CE MET A 65 6.004 9.232 4.807 1.00 0.74 C ATOM 0 H MET A 65 1.100 7.589 2.745 1.00 0.48 H new ATOM 0 HA MET A 65 2.572 10.105 2.239 1.00 0.53 H new ATOM 0 HB2 MET A 65 3.158 7.251 1.333 1.00 0.61 H new ATOM 0 HB3 MET A 65 4.045 8.664 0.796 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.862 7.666 3.660 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.234 7.461 2.589 1.00 0.63 H new ATOM 0 HE1 MET A 65 6.217 10.110 5.417 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.430 8.514 5.393 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.941 8.774 4.490 1.00 0.74 H new ATOM 989 N GLU A 66 0.252 9.830 0.727 1.00 0.83 N ATOM 990 CA GLU A 66 -0.579 10.112 -0.440 1.00 1.01 C ATOM 991 C GLU A 66 -0.346 11.537 -0.934 1.00 1.08 C ATOM 992 O GLU A 66 -0.133 11.772 -2.126 1.00 1.86 O ATOM 993 CB GLU A 66 -2.061 9.908 -0.109 1.00 1.29 C ATOM 994 CG GLU A 66 -2.482 8.448 -0.062 1.00 2.19 C ATOM 995 CD GLU A 66 -2.465 7.793 -1.432 1.00 3.03 C ATOM 996 OE1 GLU A 66 -1.399 7.270 -1.833 1.00 3.75 O ATOM 997 OE2 GLU A 66 -3.504 7.800 -2.118 1.00 3.33 O ATOM 0 H GLU A 66 -0.180 10.066 1.620 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.298 9.417 -1.231 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.276 10.370 0.855 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.665 10.427 -0.853 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -1.816 7.902 0.606 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.485 8.376 0.359 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.368 12.484 -0.008 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.190 13.878 -0.366 1.00 1.36 C ATOM 1006 C GLY A 67 1.235 14.348 -0.147 1.00 1.24 C ATOM 1007 O GLY A 67 1.501 15.551 -0.074 1.00 1.47 O ATOM 0 H GLY A 67 -0.506 12.312 0.988 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -0.461 14.020 -1.412 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -0.869 14.493 0.225 1.00 1.36 H new ATOM 1011 N LYS A 68 2.151 13.399 -0.046 1.00 0.97 N ATOM 1012 CA LYS A 68 3.550 13.700 0.222 1.00 0.87 C ATOM 1013 C LYS A 68 4.357 13.647 -1.072 1.00 0.90 C ATOM 1014 O LYS A 68 3.829 13.283 -2.126 1.00 1.06 O ATOM 1015 CB LYS A 68 4.108 12.691 1.226 1.00 0.73 C ATOM 1016 CG LYS A 68 3.219 12.479 2.445 1.00 1.24 C ATOM 1017 CD LYS A 68 3.092 13.732 3.297 1.00 2.01 C ATOM 1018 CE LYS A 68 2.142 13.505 4.466 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.074 14.679 5.374 1.00 3.36 N ATOM 0 H LYS A 68 1.949 12.404 -0.146 1.00 0.97 H new ATOM 0 HA LYS A 68 3.625 14.704 0.640 1.00 0.87 H new ATOM 0 HB2 LYS A 68 4.253 11.735 0.723 1.00 0.73 H new ATOM 0 HB3 LYS A 68 5.090 13.028 1.558 1.00 0.73 H new ATOM 0 HG2 LYS A 68 2.228 12.164 2.118 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.626 11.670 3.052 1.00 1.24 H new ATOM 0 HD2 LYS A 68 4.073 14.021 3.673 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.729 14.557 2.684 1.00 2.01 H new ATOM 0 HE2 LYS A 68 1.145 13.286 4.084 1.00 2.81 H new ATOM 0 HE3 LYS A 68 2.466 12.631 5.030 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.416 14.477 6.153 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.019 14.874 5.761 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 1.739 15.509 4.844 1.00 3.36 H new ATOM 1033 N GLN A 69 5.629 14.026 -0.996 1.00 0.87 N ATOM 1034 CA GLN A 69 6.514 13.976 -2.153 1.00 0.93 C ATOM 1035 C GLN A 69 7.607 12.931 -1.965 1.00 0.81 C ATOM 1036 O GLN A 69 7.678 12.286 -0.917 1.00 0.74 O ATOM 1037 CB GLN A 69 7.142 15.345 -2.408 1.00 1.07 C ATOM 1038 CG GLN A 69 6.158 16.377 -2.928 1.00 1.33 C ATOM 1039 CD GLN A 69 5.578 15.991 -4.276 1.00 2.12 C ATOM 1040 OE1 GLN A 69 6.146 16.310 -5.322 1.00 2.64 O ATOM 1041 NE2 GLN A 69 4.444 15.306 -4.264 1.00 2.89 N ATOM 0 H GLN A 69 6.070 14.372 -0.144 1.00 0.87 H new ATOM 0 HA GLN A 69 5.913 13.694 -3.018 1.00 0.93 H new ATOM 0 HB2 GLN A 69 7.584 15.711 -1.481 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.954 15.235 -3.127 1.00 1.07 H new ATOM 0 HG2 GLN A 69 5.349 16.499 -2.208 1.00 1.33 H new ATOM 0 HG3 GLN A 69 6.658 17.342 -3.013 1.00 1.33 H new ATOM 0 HE21 GLN A 69 4.005 15.061 -3.376 1.00 2.89 H new ATOM 0 HE22 GLN A 69 4.010 15.023 -5.143 1.00 2.89 H new ATOM 1050 N HIS A 70 8.459 12.775 -2.976 1.00 0.84 N ATOM 1051 CA HIS A 70 9.525 11.773 -2.948 1.00 0.79 C ATOM 1052 C HIS A 70 10.402 11.935 -1.705 1.00 0.70 C ATOM 1053 O HIS A 70 10.728 10.955 -1.036 1.00 0.65 O ATOM 1054 CB HIS A 70 10.384 11.888 -4.217 1.00 0.88 C ATOM 1055 CG HIS A 70 11.487 10.871 -4.323 1.00 0.90 C ATOM 1056 ND1 HIS A 70 12.810 11.164 -4.076 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.457 9.563 -4.677 1.00 1.37 C ATOM 1058 CE1 HIS A 70 13.544 10.086 -4.274 1.00 1.31 C ATOM 1059 NE2 HIS A 70 12.749 9.097 -4.638 1.00 1.13 N ATOM 0 H HIS A 70 8.432 13.333 -3.830 1.00 0.84 H new ATOM 0 HA HIS A 70 9.064 10.786 -2.911 1.00 0.79 H new ATOM 0 HB2 HIS A 70 9.736 11.793 -5.088 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.823 12.885 -4.253 1.00 0.88 H new ATOM 0 HD2 HIS A 70 10.579 8.992 -4.941 1.00 1.37 H new ATOM 0 HE1 HIS A 70 14.616 10.023 -4.158 1.00 1.31 H new ATOM 0 HE2 HIS A 70 13.045 8.145 -4.854 1.00 1.13 H new ATOM 1068 N GLY A 71 10.748 13.177 -1.390 1.00 0.72 N ATOM 1069 CA GLY A 71 11.611 13.448 -0.254 1.00 0.69 C ATOM 1070 C GLY A 71 10.981 13.060 1.069 1.00 0.62 C ATOM 1071 O GLY A 71 11.660 12.536 1.951 1.00 0.62 O ATOM 0 H GLY A 71 10.445 14.005 -1.903 1.00 0.72 H new ATOM 0 HA2 GLY A 71 12.548 12.905 -0.378 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.858 14.510 -0.236 1.00 0.69 H new ATOM 1075 N ASP A 72 9.677 13.293 1.195 1.00 0.61 N ATOM 1076 CA ASP A 72 8.961 13.017 2.440 1.00 0.58 C ATOM 1077 C ASP A 72 9.004 11.535 2.767 1.00 0.49 C ATOM 1078 O ASP A 72 9.249 11.145 3.910 1.00 0.44 O ATOM 1079 CB ASP A 72 7.495 13.453 2.338 1.00 0.68 C ATOM 1080 CG ASP A 72 7.318 14.950 2.195 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.310 15.446 1.049 1.00 2.03 O ATOM 1082 OD2 ASP A 72 7.210 15.639 3.228 1.00 1.47 O ATOM 0 H ASP A 72 9.093 13.673 0.450 1.00 0.61 H new ATOM 0 HA ASP A 72 9.454 13.583 3.230 1.00 0.58 H new ATOM 0 HB2 ASP A 72 7.036 12.958 1.483 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.961 13.115 3.226 1.00 0.68 H new ATOM 1087 N VAL A 73 8.773 10.714 1.752 1.00 0.50 N ATOM 1088 CA VAL A 73 8.736 9.272 1.927 1.00 0.45 C ATOM 1089 C VAL A 73 10.125 8.721 2.223 1.00 0.44 C ATOM 1090 O VAL A 73 10.302 7.940 3.155 1.00 0.43 O ATOM 1091 CB VAL A 73 8.155 8.577 0.680 1.00 0.51 C ATOM 1092 CG1 VAL A 73 8.056 7.072 0.891 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.796 9.165 0.341 1.00 0.97 C ATOM 0 H VAL A 73 8.608 11.026 0.795 1.00 0.50 H new ATOM 0 HA VAL A 73 8.087 9.064 2.778 1.00 0.45 H new ATOM 0 HB VAL A 73 8.829 8.751 -0.158 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.643 6.606 -0.003 1.00 1.08 H new ATOM 0 HG12 VAL A 73 9.048 6.666 1.087 1.00 1.08 H new ATOM 0 HG13 VAL A 73 7.405 6.866 1.741 1.00 1.08 H new ATOM 0 HG21 VAL A 73 6.394 8.667 -0.541 1.00 0.97 H new ATOM 0 HG22 VAL A 73 6.117 9.019 1.181 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.901 10.231 0.140 1.00 0.97 H new ATOM 1103 N VAL A 74 11.111 9.153 1.444 1.00 0.49 N ATOM 1104 CA VAL A 74 12.481 8.679 1.615 1.00 0.53 C ATOM 1105 C VAL A 74 13.037 9.097 2.977 1.00 0.51 C ATOM 1106 O VAL A 74 13.747 8.330 3.632 1.00 0.52 O ATOM 1107 CB VAL A 74 13.408 9.201 0.491 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.838 8.714 0.688 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.886 8.766 -0.873 1.00 0.70 C ATOM 0 H VAL A 74 10.988 9.829 0.690 1.00 0.49 H new ATOM 0 HA VAL A 74 12.453 7.591 1.560 1.00 0.53 H new ATOM 0 HB VAL A 74 13.411 10.290 0.537 1.00 0.64 H new ATOM 0 HG11 VAL A 74 15.467 9.096 -0.116 1.00 0.72 H new ATOM 0 HG12 VAL A 74 15.216 9.073 1.645 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.856 7.624 0.676 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.549 9.141 -1.653 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.851 7.678 -0.919 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.884 9.168 -1.024 1.00 0.70 H new ATOM 1119 N SER A 75 12.697 10.304 3.414 1.00 0.51 N ATOM 1120 CA SER A 75 13.129 10.784 4.717 1.00 0.52 C ATOM 1121 C SER A 75 12.490 9.947 5.821 1.00 0.47 C ATOM 1122 O SER A 75 13.118 9.668 6.840 1.00 0.51 O ATOM 1123 CB SER A 75 12.772 12.264 4.893 1.00 0.58 C ATOM 1124 OG SER A 75 13.303 12.793 6.101 1.00 0.66 O ATOM 0 H SER A 75 12.126 10.964 2.886 1.00 0.51 H new ATOM 0 HA SER A 75 14.212 10.685 4.783 1.00 0.52 H new ATOM 0 HB2 SER A 75 13.155 12.834 4.047 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.688 12.380 4.890 1.00 0.58 H new ATOM 0 HG SER A 75 13.057 13.738 6.180 1.00 0.66 H new ATOM 1130 N ALA A 76 11.246 9.535 5.597 1.00 0.42 N ATOM 1131 CA ALA A 76 10.524 8.696 6.547 1.00 0.39 C ATOM 1132 C ALA A 76 11.197 7.337 6.691 1.00 0.37 C ATOM 1133 O ALA A 76 11.201 6.752 7.776 1.00 0.39 O ATOM 1134 CB ALA A 76 9.078 8.527 6.121 1.00 0.39 C ATOM 0 H ALA A 76 10.714 9.771 4.759 1.00 0.42 H new ATOM 0 HA ALA A 76 10.543 9.192 7.517 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.557 7.898 6.843 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.596 9.503 6.076 1.00 0.39 H new ATOM 0 HB3 ALA A 76 9.041 8.058 5.138 1.00 0.39 H new ATOM 1140 N ILE A 77 11.762 6.841 5.594 1.00 0.37 N ATOM 1141 CA ILE A 77 12.502 5.580 5.611 1.00 0.39 C ATOM 1142 C ILE A 77 13.637 5.668 6.626 1.00 0.41 C ATOM 1143 O ILE A 77 13.860 4.760 7.428 1.00 0.44 O ATOM 1144 CB ILE A 77 13.127 5.266 4.229 1.00 0.45 C ATOM 1145 CG1 ILE A 77 12.101 5.421 3.104 1.00 0.53 C ATOM 1146 CG2 ILE A 77 13.726 3.867 4.213 1.00 0.50 C ATOM 1147 CD1 ILE A 77 10.901 4.513 3.222 1.00 0.69 C ATOM 0 H ILE A 77 11.722 7.293 4.680 1.00 0.37 H new ATOM 0 HA ILE A 77 11.797 4.791 5.873 1.00 0.39 H new ATOM 0 HB ILE A 77 13.925 5.988 4.057 1.00 0.45 H new ATOM 0 HG12 ILE A 77 11.758 6.455 3.083 1.00 0.53 H new ATOM 0 HG13 ILE A 77 12.594 5.229 2.151 1.00 0.53 H new ATOM 0 HG21 ILE A 77 14.159 3.668 3.233 1.00 0.50 H new ATOM 0 HG22 ILE A 77 14.503 3.795 4.974 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.946 3.135 4.420 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.227 4.690 2.384 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.229 3.474 3.211 1.00 0.69 H new ATOM 0 HD13 ILE A 77 10.380 4.719 4.157 1.00 0.69 H new ATOM 1159 N ARG A 78 14.343 6.787 6.576 1.00 0.43 N ATOM 1160 CA ARG A 78 15.465 7.045 7.467 1.00 0.50 C ATOM 1161 C ARG A 78 14.982 7.401 8.871 1.00 0.50 C ATOM 1162 O ARG A 78 15.641 7.088 9.863 1.00 0.56 O ATOM 1163 CB ARG A 78 16.324 8.168 6.884 1.00 0.58 C ATOM 1164 CG ARG A 78 16.872 7.827 5.507 1.00 0.66 C ATOM 1165 CD ARG A 78 17.592 9.001 4.864 1.00 0.89 C ATOM 1166 NE ARG A 78 18.769 9.415 5.621 1.00 1.59 N ATOM 1167 CZ ARG A 78 20.023 9.235 5.206 1.00 2.11 C ATOM 1168 NH1 ARG A 78 20.275 8.537 4.101 1.00 2.12 N ATOM 1169 NH2 ARG A 78 21.026 9.736 5.912 1.00 3.09 N ATOM 0 H ARG A 78 14.155 7.542 5.917 1.00 0.43 H new ATOM 0 HA ARG A 78 16.067 6.140 7.551 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.730 9.079 6.819 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.153 8.375 7.560 1.00 0.58 H new ATOM 0 HG2 ARG A 78 17.559 6.985 5.590 1.00 0.66 H new ATOM 0 HG3 ARG A 78 16.053 7.508 4.862 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.892 8.730 3.852 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.904 9.842 4.778 1.00 0.89 H new ATOM 0 HE ARG A 78 18.623 9.870 6.522 1.00 1.59 H new ATOM 0 HH11 ARG A 78 19.506 8.135 3.565 1.00 2.12 H new ATOM 0 HH12 ARG A 78 21.237 8.404 3.790 1.00 2.12 H new ATOM 0 HH21 ARG A 78 20.837 10.256 6.769 1.00 3.09 H new ATOM 0 HH22 ARG A 78 21.987 9.601 5.599 1.00 3.09 H new ATOM 1183 N ALA A 79 13.814 8.031 8.946 1.00 0.47 N ATOM 1184 CA ALA A 79 13.249 8.474 10.218 1.00 0.51 C ATOM 1185 C ALA A 79 12.810 7.294 11.080 1.00 0.43 C ATOM 1186 O ALA A 79 12.632 7.433 12.291 1.00 0.46 O ATOM 1187 CB ALA A 79 12.077 9.409 9.977 1.00 0.65 C ATOM 0 H ALA A 79 13.236 8.248 8.134 1.00 0.47 H new ATOM 0 HA ALA A 79 14.030 9.009 10.758 1.00 0.51 H new ATOM 0 HB1 ALA A 79 11.666 9.731 10.934 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.416 10.280 9.416 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.307 8.888 9.408 1.00 0.65 H new ATOM 1193 N GLY A 80 12.633 6.140 10.449 1.00 0.41 N ATOM 1194 CA GLY A 80 12.264 4.944 11.179 1.00 0.42 C ATOM 1195 C GLY A 80 13.424 4.375 11.973 1.00 0.46 C ATOM 1196 O GLY A 80 13.227 3.580 12.893 1.00 0.60 O ATOM 0 H GLY A 80 12.739 6.012 9.443 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.441 5.173 11.856 1.00 0.42 H new ATOM 0 HA3 GLY A 80 11.901 4.191 10.479 1.00 0.42 H new ATOM 1200 N GLY A 81 14.632 4.792 11.625 1.00 0.49 N ATOM 1201 CA GLY A 81 15.809 4.293 12.300 1.00 0.63 C ATOM 1202 C GLY A 81 16.670 3.461 11.377 1.00 0.64 C ATOM 1203 O GLY A 81 17.227 3.975 10.404 1.00 1.10 O ATOM 0 H GLY A 81 14.817 5.469 10.885 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.391 5.131 12.685 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.509 3.692 13.159 1.00 0.63 H new ATOM 1207 N ASP A 82 16.789 2.177 11.674 1.00 0.43 N ATOM 1208 CA ASP A 82 17.537 1.279 10.809 1.00 0.44 C ATOM 1209 C ASP A 82 16.595 0.321 10.107 1.00 0.39 C ATOM 1210 O ASP A 82 16.987 -0.403 9.201 1.00 0.55 O ATOM 1211 CB ASP A 82 18.597 0.497 11.587 1.00 0.55 C ATOM 1212 CG ASP A 82 19.720 1.383 12.082 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.512 1.869 11.244 1.00 2.12 O ATOM 1214 OD2 ASP A 82 19.803 1.609 13.307 1.00 1.97 O ATOM 0 H ASP A 82 16.382 1.736 12.499 1.00 0.43 H new ATOM 0 HA ASP A 82 18.051 1.889 10.066 1.00 0.44 H new ATOM 0 HB2 ASP A 82 18.128 0.001 12.437 1.00 0.55 H new ATOM 0 HB3 ASP A 82 19.009 -0.285 10.949 1.00 0.55 H new ATOM 1219 N GLU A 83 15.349 0.330 10.525 1.00 0.38 N ATOM 1220 CA GLU A 83 14.339 -0.520 9.933 1.00 0.39 C ATOM 1221 C GLU A 83 13.033 0.246 9.780 1.00 0.38 C ATOM 1222 O GLU A 83 12.675 1.055 10.635 1.00 0.53 O ATOM 1223 CB GLU A 83 14.140 -1.787 10.774 1.00 0.47 C ATOM 1224 CG GLU A 83 14.028 -1.543 12.270 1.00 0.86 C ATOM 1225 CD GLU A 83 15.372 -1.396 12.960 1.00 1.62 C ATOM 1226 OE1 GLU A 83 16.035 -2.424 13.222 1.00 2.11 O ATOM 1227 OE2 GLU A 83 15.773 -0.244 13.240 1.00 2.00 O ATOM 0 H GLU A 83 15.008 0.923 11.281 1.00 0.38 H new ATOM 0 HA GLU A 83 14.674 -0.826 8.942 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.238 -2.295 10.434 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.975 -2.463 10.591 1.00 0.47 H new ATOM 0 HG2 GLU A 83 13.440 -0.641 12.440 1.00 0.86 H new ATOM 0 HG3 GLU A 83 13.483 -2.370 12.725 1.00 0.86 H new ATOM 1234 N THR A 84 12.328 -0.004 8.689 1.00 0.27 N ATOM 1235 CA THR A 84 11.128 0.748 8.375 1.00 0.26 C ATOM 1236 C THR A 84 9.996 -0.190 7.976 1.00 0.22 C ATOM 1237 O THR A 84 10.237 -1.298 7.494 1.00 0.21 O ATOM 1238 CB THR A 84 11.387 1.774 7.248 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.200 2.533 6.976 1.00 0.32 O ATOM 1240 CG2 THR A 84 11.854 1.081 5.978 1.00 0.30 C ATOM 0 H THR A 84 12.568 -0.723 8.006 1.00 0.27 H new ATOM 0 HA THR A 84 10.836 1.293 9.273 1.00 0.26 H new ATOM 0 HB THR A 84 12.173 2.449 7.586 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.381 3.179 6.262 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.029 1.825 5.201 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.779 0.540 6.178 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.089 0.380 5.644 1.00 0.30 H new ATOM 1248 N LYS A 85 8.769 0.233 8.232 1.00 0.24 N ATOM 1249 CA LYS A 85 7.601 -0.539 7.842 1.00 0.23 C ATOM 1250 C LYS A 85 6.865 0.192 6.732 1.00 0.23 C ATOM 1251 O LYS A 85 6.390 1.313 6.927 1.00 0.26 O ATOM 1252 CB LYS A 85 6.662 -0.742 9.032 1.00 0.28 C ATOM 1253 CG LYS A 85 7.322 -1.380 10.242 1.00 0.37 C ATOM 1254 CD LYS A 85 6.378 -1.370 11.430 1.00 0.50 C ATOM 1255 CE LYS A 85 7.092 -1.721 12.727 1.00 0.78 C ATOM 1256 NZ LYS A 85 6.268 -1.385 13.921 1.00 1.63 N ATOM 0 H LYS A 85 8.556 1.109 8.709 1.00 0.24 H new ATOM 0 HA LYS A 85 7.929 -1.517 7.491 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.249 0.224 9.324 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.825 -1.365 8.718 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.610 -2.405 10.008 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.236 -0.841 10.492 1.00 0.37 H new ATOM 0 HD2 LYS A 85 5.922 -0.384 11.522 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.570 -2.081 11.257 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.327 -2.785 12.736 1.00 0.78 H new ATOM 0 HE3 LYS A 85 8.040 -1.185 12.777 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 6.789 -1.639 14.785 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 6.065 -0.365 13.927 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 5.374 -1.916 13.887 1.00 1.63 H new ATOM 1270 N LEU A 86 6.773 -0.433 5.577 1.00 0.22 N ATOM 1271 CA LEU A 86 6.103 0.173 4.444 1.00 0.22 C ATOM 1272 C LEU A 86 4.756 -0.487 4.221 1.00 0.22 C ATOM 1273 O LEU A 86 4.637 -1.707 4.265 1.00 0.27 O ATOM 1274 CB LEU A 86 6.953 0.052 3.177 1.00 0.24 C ATOM 1275 CG LEU A 86 8.321 0.734 3.233 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.042 0.593 1.901 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.171 2.202 3.601 1.00 0.28 C ATOM 0 H LEU A 86 7.154 -1.362 5.397 1.00 0.22 H new ATOM 0 HA LEU A 86 5.956 1.231 4.663 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.103 -1.006 2.961 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.391 0.472 2.342 1.00 0.24 H new ATOM 0 HG LEU A 86 8.917 0.244 4.003 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.013 1.084 1.959 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.183 -0.464 1.673 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.447 1.057 1.114 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.154 2.671 3.636 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.556 2.704 2.853 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.694 2.285 4.578 1.00 0.28 H new ATOM 1289 N LEU A 87 3.744 0.325 3.993 1.00 0.20 N ATOM 1290 CA LEU A 87 2.421 -0.182 3.690 1.00 0.21 C ATOM 1291 C LEU A 87 2.154 -0.004 2.209 1.00 0.21 C ATOM 1292 O LEU A 87 2.096 1.123 1.722 1.00 0.26 O ATOM 1293 CB LEU A 87 1.363 0.572 4.494 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.062 0.048 4.336 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.225 -1.278 5.057 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.068 1.065 4.842 1.00 0.45 C ATOM 0 H LEU A 87 3.813 1.342 4.012 1.00 0.20 H new ATOM 0 HA LEU A 87 2.372 -1.238 3.956 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.634 0.533 5.549 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.383 1.621 4.199 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.252 -0.115 3.275 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.247 -1.636 4.933 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.468 -2.007 4.638 1.00 0.51 H new ATOM 0 HD13 LEU A 87 -0.013 -1.144 6.118 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.077 0.671 4.720 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.882 1.266 5.897 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.968 1.989 4.273 1.00 0.45 H new ATOM 1308 N VAL A 88 1.997 -1.105 1.498 1.00 0.20 N ATOM 1309 CA VAL A 88 1.822 -1.049 0.056 1.00 0.23 C ATOM 1310 C VAL A 88 0.583 -1.818 -0.383 1.00 0.24 C ATOM 1311 O VAL A 88 0.070 -2.670 0.351 1.00 0.27 O ATOM 1312 CB VAL A 88 3.066 -1.584 -0.694 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.227 -0.609 -0.570 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.475 -2.948 -0.165 1.00 0.33 C ATOM 0 H VAL A 88 1.987 -2.046 1.892 1.00 0.20 H new ATOM 0 HA VAL A 88 1.692 0.002 -0.203 1.00 0.23 H new ATOM 0 HB VAL A 88 2.802 -1.686 -1.747 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.092 -1.003 -1.104 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.943 0.352 -0.999 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.480 -0.476 0.482 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.351 -3.301 -0.709 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.713 -2.870 0.896 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.655 -3.652 -0.302 1.00 0.33 H new ATOM 1324 N VAL A 89 0.085 -1.476 -1.563 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.073 -2.137 -2.150 1.00 0.27 C ATOM 1326 C VAL A 89 -0.812 -2.464 -3.614 1.00 0.34 C ATOM 1327 O VAL A 89 -0.100 -1.728 -4.308 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.349 -1.267 -2.058 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.807 -1.118 -0.618 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.122 0.098 -2.690 1.00 0.30 C ATOM 0 H VAL A 89 0.473 -0.731 -2.142 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.235 -3.052 -1.580 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.138 -1.775 -2.613 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.705 -0.502 -0.584 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.025 -2.102 -0.202 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.019 -0.644 -0.033 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -3.033 0.691 -2.613 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.311 0.609 -2.171 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.858 -0.027 -3.740 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.393 -3.563 -4.076 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.273 -3.970 -5.471 1.00 0.51 C ATOM 1342 C ASP A 90 -2.432 -3.415 -6.284 1.00 0.48 C ATOM 1343 O ASP A 90 -3.327 -2.778 -5.733 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.208 -5.497 -5.611 1.00 0.68 C ATOM 1345 CG ASP A 90 -2.361 -6.227 -4.943 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -3.452 -5.629 -4.845 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -2.194 -7.394 -4.536 1.00 1.86 O ATOM 0 H ASP A 90 -1.955 -4.192 -3.502 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.339 -3.561 -5.856 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.193 -5.754 -6.670 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -0.270 -5.851 -5.183 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.410 -3.660 -7.586 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.397 -3.090 -8.499 1.00 0.61 C ATOM 1354 C ARG A 91 -4.831 -3.406 -8.071 1.00 0.55 C ATOM 1355 O ARG A 91 -5.665 -2.505 -7.987 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.164 -3.608 -9.920 1.00 0.75 C ATOM 1357 CG ARG A 91 -4.125 -3.026 -10.944 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.926 -3.653 -12.313 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.166 -5.097 -12.292 1.00 2.25 N ATOM 1360 CZ ARG A 91 -4.133 -5.880 -13.370 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -3.939 -5.356 -14.574 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -4.334 -7.185 -13.245 1.00 4.16 N ATOM 0 H ARG A 91 -1.715 -4.254 -8.039 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.270 -2.008 -8.472 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -2.142 -3.376 -10.220 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.258 -4.694 -9.922 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -5.151 -3.188 -10.614 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.978 -1.948 -11.011 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -4.600 -3.183 -13.029 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -2.910 -3.459 -12.657 1.00 1.44 H new ATOM 0 HE ARG A 91 -4.372 -5.533 -11.393 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -3.814 -4.349 -14.678 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -3.915 -5.960 -15.395 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -4.513 -7.588 -12.325 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -4.309 -7.786 -14.069 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.106 -4.669 -7.770 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.461 -5.095 -7.442 1.00 0.61 C ATOM 1378 C GLU A 92 -6.950 -4.465 -6.146 1.00 0.51 C ATOM 1379 O GLU A 92 -8.091 -4.011 -6.056 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.550 -6.608 -7.367 1.00 0.74 C ATOM 1381 CG GLU A 92 -5.412 -7.256 -6.627 1.00 1.44 C ATOM 1382 CD GLU A 92 -4.296 -7.715 -7.548 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -3.455 -6.878 -7.945 1.00 2.68 O ATOM 1384 OE2 GLU A 92 -4.258 -8.920 -7.883 1.00 2.26 O ATOM 0 H GLU A 92 -4.411 -5.415 -7.746 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.113 -4.750 -8.244 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -7.487 -6.882 -6.882 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.586 -7.009 -8.380 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -5.010 -6.551 -5.900 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -5.789 -8.111 -6.067 1.00 1.44 H new ATOM 1391 N THR A 93 -6.082 -4.431 -5.155 1.00 0.44 N ATOM 1392 CA THR A 93 -6.400 -3.805 -3.880 1.00 0.38 C ATOM 1393 C THR A 93 -6.528 -2.289 -4.037 1.00 0.33 C ATOM 1394 O THR A 93 -7.469 -1.675 -3.530 1.00 0.37 O ATOM 1395 CB THR A 93 -5.319 -4.115 -2.835 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.084 -5.529 -2.778 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.724 -3.611 -1.462 1.00 0.36 C ATOM 0 H THR A 93 -5.145 -4.831 -5.205 1.00 0.44 H new ATOM 0 HA THR A 93 -7.353 -4.213 -3.542 1.00 0.38 H new ATOM 0 HB THR A 93 -4.404 -3.603 -3.134 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.305 -5.754 -3.329 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.939 -3.845 -0.743 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.872 -2.532 -1.500 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.652 -4.094 -1.156 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.586 -1.699 -4.763 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.557 -0.255 -4.964 1.00 0.39 C ATOM 1407 C ASP A 94 -6.817 0.225 -5.667 1.00 0.43 C ATOM 1408 O ASP A 94 -7.453 1.184 -5.230 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.321 0.145 -5.776 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.292 1.624 -6.101 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.565 2.440 -5.196 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -3.981 1.976 -7.256 1.00 1.18 O ATOM 0 H ASP A 94 -4.828 -2.202 -5.225 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.509 0.219 -3.984 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.423 -0.118 -5.217 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.299 -0.428 -6.703 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.198 -0.461 -6.741 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.392 -0.090 -7.489 1.00 0.49 C ATOM 1419 C GLU A 95 -9.639 -0.269 -6.633 1.00 0.45 C ATOM 1420 O GLU A 95 -10.591 0.500 -6.754 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.506 -0.897 -8.786 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.352 -0.649 -9.743 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.592 -1.208 -11.133 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.560 -2.450 -11.285 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -7.839 -0.420 -12.070 1.00 1.23 O ATOM 0 H GLU A 95 -6.700 -1.271 -7.110 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.306 0.963 -7.757 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.548 -1.959 -8.544 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.443 -0.646 -9.283 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -7.175 0.424 -9.816 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -6.446 -1.094 -9.332 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.612 -1.264 -5.750 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.725 -1.515 -4.840 1.00 0.41 C ATOM 1434 C PHE A 96 -10.914 -0.343 -3.878 1.00 0.36 C ATOM 1435 O PHE A 96 -12.024 0.150 -3.699 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.486 -2.810 -4.055 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.545 -3.107 -3.027 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.801 -3.551 -3.416 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.284 -2.944 -1.675 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.776 -3.825 -2.476 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.256 -3.217 -0.731 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.497 -3.651 -1.124 1.00 0.72 C ATOM 0 H PHE A 96 -8.830 -1.910 -5.646 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.634 -1.623 -5.432 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.431 -3.643 -4.756 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.518 -2.748 -3.557 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.019 -3.684 -4.465 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.311 -2.600 -1.356 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.750 -4.172 -2.789 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.038 -3.088 0.319 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.257 -3.857 -0.385 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.828 0.104 -3.266 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.877 1.256 -2.368 1.00 0.32 C ATOM 1454 C PHE A 97 -10.202 2.544 -3.126 1.00 0.39 C ATOM 1455 O PHE A 97 -10.950 3.383 -2.628 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.553 1.408 -1.608 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.441 0.542 -0.379 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.039 -0.782 -0.467 1.00 0.37 C ATOM 1459 CD2 PHE A 97 -8.724 1.066 0.871 1.00 0.38 C ATOM 1460 CE1 PHE A 97 -7.927 -1.564 0.670 1.00 0.40 C ATOM 1461 CE2 PHE A 97 -8.616 0.291 2.009 1.00 0.41 C ATOM 1462 CZ PHE A 97 -8.215 -1.025 1.910 1.00 0.35 C ATOM 0 H PHE A 97 -8.902 -0.310 -3.372 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.677 1.077 -1.649 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.731 1.169 -2.283 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.433 2.451 -1.316 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -7.811 -1.208 -1.433 1.00 0.37 H new ATOM 0 HD2 PHE A 97 -9.034 2.097 0.957 1.00 0.38 H new ATOM 0 HE1 PHE A 97 -7.615 -2.595 0.588 1.00 0.40 H new ATOM 0 HE2 PHE A 97 -8.845 0.715 2.975 1.00 0.41 H new ATOM 0 HZ PHE A 97 -8.126 -1.633 2.799 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.650 2.696 -4.331 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.868 3.908 -5.126 1.00 0.53 C ATOM 1474 C LYS A 98 -11.330 4.074 -5.514 1.00 0.56 C ATOM 1475 O LYS A 98 -11.899 5.152 -5.357 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.994 3.912 -6.382 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.532 4.204 -6.095 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.697 4.301 -7.364 1.00 1.13 C ATOM 1479 CE LYS A 98 -6.778 3.034 -8.200 1.00 1.31 C ATOM 1480 NZ LYS A 98 -5.598 2.890 -9.092 1.00 1.92 N ATOM 0 H LYS A 98 -9.052 2.000 -4.777 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.584 4.752 -4.497 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.074 2.943 -6.875 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.376 4.657 -7.080 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.454 5.139 -5.540 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.127 3.419 -5.456 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.038 5.149 -7.958 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -5.657 4.494 -7.100 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -6.845 2.167 -7.542 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -7.688 3.051 -8.800 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -5.777 2.136 -9.786 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -5.428 3.787 -9.591 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -4.761 2.646 -8.524 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.941 3.005 -6.008 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.349 3.044 -6.401 1.00 0.63 C ATOM 1496 C LYS A 99 -14.241 3.263 -5.179 1.00 0.63 C ATOM 1497 O LYS A 99 -15.402 3.657 -5.295 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.747 1.743 -7.101 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.603 0.518 -6.215 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.108 -0.741 -6.896 1.00 0.76 C ATOM 1501 CE LYS A 99 -15.536 -0.587 -7.395 1.00 1.62 C ATOM 1502 NZ LYS A 99 -15.995 -1.795 -8.125 1.00 2.04 N ATOM 0 H LYS A 99 -11.488 2.102 -6.147 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.484 3.875 -7.093 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.781 1.821 -7.437 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.131 1.614 -7.991 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.555 0.388 -5.944 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.155 0.675 -5.288 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -13.456 -0.986 -7.734 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.056 -1.576 -6.198 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.198 -0.399 -6.550 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -15.601 0.281 -8.051 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -16.973 -1.653 -8.450 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.378 -1.960 -8.945 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -15.957 -2.619 -7.491 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.686 2.990 -4.011 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.404 3.143 -2.761 1.00 0.60 C ATOM 1518 C CYS A 100 -14.139 4.514 -2.139 1.00 0.61 C ATOM 1519 O CYS A 100 -14.800 4.913 -1.182 1.00 0.68 O ATOM 1520 CB CYS A 100 -13.981 2.027 -1.805 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.572 0.388 -2.285 1.00 1.39 S ATOM 0 H CYS A 100 -12.728 2.657 -3.904 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.475 3.073 -2.953 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -12.893 2.007 -1.745 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -14.351 2.258 -0.806 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.668 -0.205 -3.006 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.164 5.226 -2.716 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.710 6.530 -2.218 1.00 0.65 C ATOM 1529 C ARG A 101 -12.247 6.441 -0.768 1.00 0.64 C ATOM 1530 O ARG A 101 -12.282 7.425 -0.030 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.788 7.613 -2.364 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.066 8.011 -3.805 1.00 0.79 C ATOM 1533 CD ARG A 101 -15.132 7.135 -4.437 1.00 1.19 C ATOM 1534 NE ARG A 101 -16.440 7.356 -3.827 1.00 2.14 N ATOM 1535 CZ ARG A 101 -17.591 6.967 -4.364 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -17.610 6.310 -5.516 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -18.731 7.246 -3.750 1.00 4.09 N ATOM 0 H ARG A 101 -12.664 4.911 -3.548 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.861 6.819 -2.837 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.713 7.256 -1.911 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.480 8.497 -1.806 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.385 9.053 -3.839 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.146 7.940 -4.385 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -15.188 7.343 -5.505 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -14.853 6.087 -4.331 1.00 1.19 H new ATOM 0 HE ARG A 101 -16.472 7.841 -2.930 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -16.736 6.099 -5.997 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -18.499 6.015 -5.920 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -18.723 7.758 -2.868 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -19.617 6.949 -4.159 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.798 5.262 -0.376 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.306 5.046 0.970 1.00 0.57 C ATOM 1553 C VAL A 102 -9.795 4.856 0.933 1.00 0.49 C ATOM 1554 O VAL A 102 -9.257 4.246 0.006 1.00 0.46 O ATOM 1555 CB VAL A 102 -12.003 3.835 1.641 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.833 2.573 0.814 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -11.494 3.623 3.060 1.00 1.42 C ATOM 0 H VAL A 102 -11.765 4.437 -0.975 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.541 5.923 1.573 1.00 0.57 H new ATOM 0 HB VAL A 102 -13.068 4.060 1.695 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -12.333 1.742 1.311 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -12.272 2.723 -0.172 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -10.772 2.347 0.709 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -12.001 2.767 3.504 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -10.420 3.437 3.037 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -11.695 4.513 3.656 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.114 5.408 1.922 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.663 5.376 1.957 1.00 0.50 C ATOM 1569 C ILE A 103 -7.175 4.098 2.629 1.00 0.43 C ATOM 1570 O ILE A 103 -7.564 3.795 3.759 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.096 6.596 2.717 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.701 7.895 2.170 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.575 6.633 2.621 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.435 8.127 0.698 1.00 1.33 C ATOM 0 H ILE A 103 -9.545 5.885 2.714 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.309 5.406 0.927 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.369 6.502 3.768 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -8.778 7.880 2.336 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.303 8.736 2.737 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.197 7.500 3.163 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.161 5.724 3.057 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.278 6.702 1.574 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.895 9.065 0.389 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -6.360 8.176 0.526 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -7.858 7.307 0.118 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.351 3.306 1.931 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.726 2.126 2.517 1.00 0.37 C ATOM 1588 C PRO A 104 -4.851 2.513 3.700 1.00 0.37 C ATOM 1589 O PRO A 104 -4.110 3.491 3.638 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.887 1.536 1.377 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.753 2.633 0.374 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.965 3.503 0.524 1.00 0.44 C ATOM 0 HA PRO A 104 -6.454 1.413 2.903 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.911 1.210 1.736 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.374 0.663 0.942 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.842 3.206 0.546 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.689 2.228 -0.636 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.739 4.548 0.311 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.762 3.204 -0.157 1.00 0.44 H new ATOM 1600 N SER A 105 -4.949 1.764 4.785 1.00 0.32 N ATOM 1601 CA SER A 105 -4.266 2.131 6.013 1.00 0.34 C ATOM 1602 C SER A 105 -4.009 0.895 6.856 1.00 0.34 C ATOM 1603 O SER A 105 -4.583 -0.166 6.588 1.00 0.33 O ATOM 1604 CB SER A 105 -5.099 3.152 6.798 1.00 0.43 C ATOM 1605 OG SER A 105 -5.407 4.283 5.997 1.00 1.42 O ATOM 0 H SER A 105 -5.492 0.902 4.841 1.00 0.32 H new ATOM 0 HA SER A 105 -3.308 2.586 5.762 1.00 0.34 H new ATOM 0 HB2 SER A 105 -6.021 2.685 7.144 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.550 3.469 7.685 1.00 0.43 H new ATOM 0 HG SER A 105 -6.180 4.081 5.429 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.157 1.031 7.859 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.788 -0.088 8.714 1.00 0.43 C ATOM 1613 C GLN A 106 -3.987 -0.658 9.473 1.00 0.45 C ATOM 1614 O GLN A 106 -4.030 -1.852 9.765 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.681 0.325 9.677 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.332 0.481 8.995 1.00 0.68 C ATOM 1617 CD GLN A 106 0.759 0.879 9.958 1.00 0.96 C ATOM 1618 OE1 GLN A 106 1.398 0.028 10.577 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.998 2.172 10.075 1.00 1.42 N ATOM 0 H GLN A 106 -2.704 1.912 8.103 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.416 -0.884 8.069 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -1.953 1.267 10.153 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.598 -0.420 10.469 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -0.062 -0.458 8.512 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.410 1.232 8.209 1.00 0.68 H new ATOM 0 HE21 GLN A 106 0.444 2.843 9.543 1.00 1.42 H new ATOM 0 HE22 GLN A 106 1.737 2.500 10.697 1.00 1.42 H new ATOM 1628 N GLU A 107 -4.963 0.184 9.784 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.185 -0.283 10.428 1.00 0.51 C ATOM 1630 C GLU A 107 -6.918 -1.280 9.527 1.00 0.42 C ATOM 1631 O GLU A 107 -7.617 -2.170 10.006 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.116 0.881 10.765 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.433 2.041 11.466 1.00 1.41 C ATOM 1634 CD GLU A 107 -5.887 3.054 10.488 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -6.628 3.980 10.101 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -4.701 2.931 10.116 1.00 2.82 O ATOM 0 H GLU A 107 -4.934 1.187 9.603 1.00 0.46 H new ATOM 0 HA GLU A 107 -5.898 -0.777 11.356 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.572 1.245 9.844 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.924 0.514 11.398 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -7.143 2.529 12.134 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -5.621 1.662 12.086 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.749 -1.116 8.217 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.381 -1.991 7.236 1.00 0.37 C ATOM 1645 C HIS A 108 -6.675 -3.341 7.159 1.00 0.46 C ATOM 1646 O HIS A 108 -7.206 -4.286 6.581 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.405 -1.318 5.859 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.418 -0.216 5.756 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -8.091 1.095 5.486 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.766 -0.242 5.880 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -9.188 1.822 5.450 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.224 1.037 5.687 1.00 0.52 N ATOM 0 H HIS A 108 -6.174 -0.378 7.809 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.407 -2.170 7.558 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.416 -0.915 5.642 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.617 -2.069 5.098 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.371 -1.111 6.092 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -9.234 2.884 5.259 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -11.200 1.332 5.721 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.468 -3.419 7.719 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.718 -4.673 7.762 1.00 0.70 C ATOM 1663 C LEU A 109 -5.476 -5.716 8.571 1.00 0.79 C ATOM 1664 O LEU A 109 -5.614 -6.866 8.155 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.339 -4.453 8.391 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.402 -3.525 7.621 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.158 -3.230 8.441 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -2.018 -4.146 6.295 1.00 0.67 C ATOM 0 H LEU A 109 -4.989 -2.628 8.149 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.594 -5.028 6.739 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.477 -4.049 9.394 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.851 -5.422 8.502 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.924 -2.588 7.430 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.500 -2.567 7.879 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.444 -2.749 9.376 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.636 -4.162 8.658 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.350 -3.473 5.758 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.512 -5.095 6.471 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.915 -4.318 5.700 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.959 -5.300 9.733 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.695 -6.187 10.623 1.00 1.67 C ATOM 1682 C ASN A 110 -8.015 -5.548 11.023 1.00 1.44 C ATOM 1683 O ASN A 110 -8.163 -5.031 12.132 1.00 1.77 O ATOM 1684 CB ASN A 110 -5.867 -6.513 11.873 1.00 2.17 C ATOM 1685 CG ASN A 110 -4.710 -7.450 11.580 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -4.802 -8.319 10.712 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -3.610 -7.278 12.298 1.00 3.35 N ATOM 0 H ASN A 110 -5.853 -4.348 10.083 1.00 1.37 H new ATOM 0 HA ASN A 110 -6.896 -7.117 10.092 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -5.481 -5.587 12.300 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -6.514 -6.965 12.625 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -2.800 -7.877 12.141 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -3.574 -6.547 13.008 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.961 -5.567 10.098 1.00 1.12 N ATOM 1695 CA GLY A 111 -10.267 -4.997 10.342 1.00 1.12 C ATOM 1696 C GLY A 111 -11.207 -5.263 9.188 1.00 0.87 C ATOM 1697 O GLY A 111 -10.792 -5.833 8.178 1.00 0.93 O ATOM 0 H GLY A 111 -8.844 -5.973 9.170 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -10.684 -5.417 11.258 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -10.174 -3.922 10.498 1.00 1.12 H new ATOM 1701 N PRO A 112 -12.479 -4.863 9.307 1.00 0.86 N ATOM 1702 CA PRO A 112 -13.474 -5.079 8.256 1.00 0.93 C ATOM 1703 C PRO A 112 -13.295 -4.129 7.072 1.00 0.89 C ATOM 1704 O PRO A 112 -13.489 -2.919 7.198 1.00 1.31 O ATOM 1705 CB PRO A 112 -14.797 -4.809 8.968 1.00 1.25 C ATOM 1706 CG PRO A 112 -14.458 -3.853 10.059 1.00 1.30 C ATOM 1707 CD PRO A 112 -13.048 -4.172 10.479 1.00 1.10 C ATOM 0 HA PRO A 112 -13.401 -6.077 7.823 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -15.533 -4.384 8.286 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -15.225 -5.728 9.367 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.536 -2.823 9.711 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -15.147 -3.960 10.897 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -12.489 -3.268 10.721 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -13.028 -4.806 11.365 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.887 -4.681 5.933 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.779 -3.925 4.703 1.00 0.58 C ATOM 1717 C LEU A 113 -14.128 -3.318 4.330 1.00 0.69 C ATOM 1718 O LEU A 113 -15.164 -3.980 4.420 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.288 -4.846 3.584 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.812 -5.269 3.648 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -9.904 -4.095 3.330 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -10.434 -5.863 4.998 1.00 1.05 C ATOM 0 H LEU A 113 -12.624 -5.662 5.843 1.00 0.62 H new ATOM 0 HA LEU A 113 -12.066 -3.113 4.844 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.902 -5.746 3.588 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.460 -4.347 2.630 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.677 -6.047 2.897 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -8.863 -4.416 3.381 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -10.122 -3.728 2.327 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -10.074 -3.297 4.053 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.381 -6.145 4.989 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.606 -5.125 5.781 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -11.044 -6.745 5.191 1.00 1.05 H new