USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=21 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 105 SER OG : rot 159:sc= 1.78 USER MOD Set 1.2: A 108 HIS : no HE2:sc= -0.402 K(o=1.4,f=-3!) USER MOD Set 2.1: A 61 ASN : amide:sc= 1.89 K(o=3,f=-4.2!) USER MOD Set 2.2: A 84 THR OG1 : rot 24:sc= 1.09 USER MOD Set 3.1: A 15 MET CE :methyl 151:sc= -4.25! (180deg=-3.38!) USER MOD Set 3.2: A 49 SER OG : rot -71:sc= 0.5 USER MOD Set 4.1: A 28 SER OG : rot -155:sc= 0.299 USER MOD Set 4.2: A 35 GLN : amide:sc= -4.99! C(o=-5!,f=-3.7!) USER MOD Set 4.3: A 70 HIS : no HD1:sc= -0.342 X(o=-5,f=-5) USER MOD Single : A 13 CYS SG : rot -174:sc= 0.00158 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= 1.25 (180deg=0.558) USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0.935 (180deg=0.915) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 38:sc= 0.978 USER MOD Single : A 25 ASN : amide:sc= -0.789 X(o=-0.79,f=-0.96) USER MOD Single : A 27 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-4.1!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 44 SER OG : rot -75:sc= 1.43 USER MOD Single : A 54 GLN : amide:sc= -0.977 K(o=-0.98,f=-0.0059) USER MOD Single : A 64 CYS SG : rot 180:sc= 0.0208 USER MOD Single : A 65 MET CE :methyl -177:sc= -1.58 (180deg=-1.61) USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0.719) USER MOD Single : A 69 GLN : amide:sc= -0.0725 K(o=-0.072,f=-0.57) 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 -133:sc= 0.0232 USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0.11 (180deg=0.0723) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot -36:sc=-0.00697 USER MOD Single : A 106 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.44) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -8.840 -7.489 -0.486 1.00 0.80 N ATOM 107 CA LEU A 8 -8.766 -6.098 -0.899 1.00 0.56 C ATOM 108 C LEU A 8 -8.250 -5.230 0.236 1.00 0.48 C ATOM 109 O LEU A 8 -8.710 -4.107 0.442 1.00 0.47 O ATOM 110 CB LEU A 8 -10.139 -5.615 -1.357 1.00 0.47 C ATOM 111 CG LEU A 8 -10.798 -6.478 -2.431 1.00 0.56 C ATOM 112 CD1 LEU A 8 -12.117 -5.870 -2.857 1.00 0.61 C ATOM 113 CD2 LEU A 8 -9.879 -6.638 -3.629 1.00 0.72 C ATOM 0 HA LEU A 8 -8.069 -6.019 -1.733 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.800 -5.570 -0.491 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -10.042 -4.598 -1.737 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.987 -7.465 -2.010 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -12.576 -6.496 -3.623 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -12.782 -5.804 -1.996 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.944 -4.872 -3.259 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -10.367 -7.256 -4.382 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -9.658 -5.658 -4.051 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -8.951 -7.115 -3.314 1.00 0.72 H new ATOM 125 N ARG A 9 -7.287 -5.759 0.969 1.00 0.52 N ATOM 126 CA ARG A 9 -6.679 -5.031 2.062 1.00 0.51 C ATOM 127 C ARG A 9 -5.189 -4.875 1.784 1.00 0.43 C ATOM 128 O ARG A 9 -4.616 -5.649 1.014 1.00 0.47 O ATOM 129 CB ARG A 9 -6.900 -5.760 3.394 1.00 0.69 C ATOM 130 CG ARG A 9 -5.933 -6.908 3.642 1.00 1.15 C ATOM 131 CD ARG A 9 -6.142 -7.528 5.014 1.00 1.21 C ATOM 132 NE ARG A 9 -7.297 -8.421 5.047 1.00 1.84 N ATOM 133 CZ ARG A 9 -8.363 -8.240 5.826 1.00 2.23 C ATOM 134 NH1 ARG A 9 -8.479 -7.140 6.559 1.00 2.21 N ATOM 135 NH2 ARG A 9 -9.327 -9.150 5.848 1.00 3.09 N ATOM 0 H ARG A 9 -6.909 -6.695 0.824 1.00 0.52 H new ATOM 0 HA ARG A 9 -7.143 -4.048 2.140 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.810 -5.041 4.208 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.919 -6.146 3.420 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -6.066 -7.670 2.874 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.908 -6.546 3.558 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.248 -8.083 5.300 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -6.276 -6.737 5.752 1.00 1.21 H new ATOM 0 HE ARG A 9 -7.287 -9.236 4.434 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -7.750 -6.427 6.528 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -9.297 -7.007 7.153 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -9.252 -9.987 5.269 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -10.144 -9.013 6.444 1.00 3.09 H new ATOM 149 N PRO A 10 -4.549 -3.863 2.377 1.00 0.36 N ATOM 150 CA PRO A 10 -3.117 -3.624 2.189 1.00 0.30 C ATOM 151 C PRO A 10 -2.259 -4.674 2.898 1.00 0.28 C ATOM 152 O PRO A 10 -2.777 -5.651 3.442 1.00 0.38 O ATOM 153 CB PRO A 10 -2.917 -2.243 2.814 1.00 0.29 C ATOM 154 CG PRO A 10 -3.982 -2.142 3.848 1.00 0.47 C ATOM 155 CD PRO A 10 -5.163 -2.869 3.277 1.00 0.40 C ATOM 0 HA PRO A 10 -2.817 -3.680 1.143 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.925 -2.148 3.256 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -3.011 -1.453 2.069 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.661 -2.591 4.788 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.226 -1.101 4.060 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.757 -3.346 4.057 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.828 -2.195 2.737 1.00 0.40 H new ATOM 163 N ARG A 11 -0.950 -4.474 2.882 1.00 0.29 N ATOM 164 CA ARG A 11 -0.034 -5.365 3.582 1.00 0.34 C ATOM 165 C ARG A 11 1.169 -4.595 4.118 1.00 0.27 C ATOM 166 O ARG A 11 1.734 -3.749 3.423 1.00 0.27 O ATOM 167 CB ARG A 11 0.419 -6.511 2.665 1.00 0.49 C ATOM 168 CG ARG A 11 0.619 -6.108 1.212 1.00 0.63 C ATOM 169 CD ARG A 11 1.117 -7.275 0.371 1.00 1.00 C ATOM 170 NE ARG A 11 1.018 -6.997 -1.062 1.00 1.22 N ATOM 171 CZ ARG A 11 2.010 -6.505 -1.804 1.00 1.59 C ATOM 172 NH1 ARG A 11 3.186 -6.228 -1.254 1.00 1.95 N ATOM 173 NH2 ARG A 11 1.827 -6.301 -3.097 1.00 2.37 N ATOM 0 H ARG A 11 -0.497 -3.703 2.392 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.565 -5.797 4.430 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.354 -6.920 3.048 1.00 0.49 H new ATOM 0 HB3 ARG A 11 -0.321 -7.311 2.710 1.00 0.49 H new ATOM 0 HG2 ARG A 11 -0.322 -5.739 0.803 1.00 0.63 H new ATOM 0 HG3 ARG A 11 1.334 -5.287 1.156 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.154 -7.491 0.628 1.00 1.00 H new ATOM 0 HD3 ARG A 11 0.537 -8.167 0.609 1.00 1.00 H new ATOM 0 HE ARG A 11 0.130 -7.193 -1.524 1.00 1.22 H new ATOM 0 HH11 ARG A 11 3.334 -6.392 -0.258 1.00 1.95 H new ATOM 0 HH12 ARG A 11 3.941 -5.852 -1.827 1.00 1.95 H new ATOM 0 HH21 ARG A 11 0.928 -6.520 -3.526 1.00 2.37 H new ATOM 0 HH22 ARG A 11 2.585 -5.925 -3.666 1.00 2.37 H new ATOM 187 N LEU A 12 1.535 -4.879 5.366 1.00 0.29 N ATOM 188 CA LEU A 12 2.677 -4.232 6.005 1.00 0.26 C ATOM 189 C LEU A 12 3.942 -5.057 5.817 1.00 0.25 C ATOM 190 O LEU A 12 4.002 -6.223 6.216 1.00 0.32 O ATOM 191 CB LEU A 12 2.427 -4.024 7.506 1.00 0.34 C ATOM 192 CG LEU A 12 1.936 -2.632 7.918 1.00 0.60 C ATOM 193 CD1 LEU A 12 1.790 -2.550 9.431 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.887 -1.550 7.424 1.00 1.28 C ATOM 0 H LEU A 12 1.054 -5.557 5.957 1.00 0.29 H new ATOM 0 HA LEU A 12 2.807 -3.260 5.529 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.694 -4.759 7.837 1.00 0.34 H new ATOM 0 HB3 LEU A 12 3.353 -4.234 8.041 1.00 0.34 H new ATOM 0 HG LEU A 12 0.962 -2.467 7.458 1.00 0.60 H new ATOM 0 HD11 LEU A 12 1.441 -1.556 9.709 1.00 1.32 H new ATOM 0 HD12 LEU A 12 1.070 -3.295 9.768 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.755 -2.740 9.901 1.00 1.32 H new ATOM 0 HD21 LEU A 12 2.516 -0.572 7.730 1.00 1.28 H new ATOM 0 HD22 LEU A 12 3.876 -1.712 7.852 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.951 -1.590 6.337 1.00 1.28 H new ATOM 206 N CYS A 13 4.943 -4.450 5.212 1.00 0.23 N ATOM 207 CA CYS A 13 6.228 -5.094 5.015 1.00 0.25 C ATOM 208 C CYS A 13 7.268 -4.449 5.924 1.00 0.22 C ATOM 209 O CYS A 13 7.395 -3.227 5.958 1.00 0.24 O ATOM 210 CB CYS A 13 6.643 -4.973 3.549 1.00 0.29 C ATOM 211 SG CYS A 13 5.387 -5.565 2.392 1.00 0.40 S ATOM 0 H CYS A 13 4.890 -3.500 4.844 1.00 0.23 H new ATOM 0 HA CYS A 13 6.152 -6.151 5.269 1.00 0.25 H new ATOM 0 HB2 CYS A 13 6.866 -3.929 3.328 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.563 -5.536 3.393 1.00 0.29 H new ATOM 0 HG CYS A 13 5.866 -5.544 1.184 1.00 0.40 H new ATOM 217 N THR A 14 7.998 -5.259 6.678 1.00 0.23 N ATOM 218 CA THR A 14 8.977 -4.730 7.617 1.00 0.24 C ATOM 219 C THR A 14 10.380 -5.093 7.155 1.00 0.22 C ATOM 220 O THR A 14 10.724 -6.271 7.062 1.00 0.25 O ATOM 221 CB THR A 14 8.748 -5.286 9.036 1.00 0.31 C ATOM 222 OG1 THR A 14 7.388 -5.057 9.428 1.00 0.35 O ATOM 223 CG2 THR A 14 9.690 -4.630 10.044 1.00 0.35 C ATOM 0 H THR A 14 7.932 -6.277 6.659 1.00 0.23 H new ATOM 0 HA THR A 14 8.863 -3.646 7.648 1.00 0.24 H new ATOM 0 HB THR A 14 8.955 -6.356 9.022 1.00 0.31 H new ATOM 0 HG1 THR A 14 7.243 -5.412 10.330 1.00 0.35 H new ATOM 0 HG21 THR A 14 9.505 -5.042 11.036 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.723 -4.825 9.757 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.514 -3.554 10.059 1.00 0.35 H new ATOM 231 N MET A 15 11.187 -4.086 6.878 1.00 0.20 N ATOM 232 CA MET A 15 12.526 -4.305 6.356 1.00 0.19 C ATOM 233 C MET A 15 13.531 -3.505 7.156 1.00 0.21 C ATOM 234 O MET A 15 13.250 -2.390 7.582 1.00 0.21 O ATOM 235 CB MET A 15 12.602 -3.905 4.879 1.00 0.21 C ATOM 236 CG MET A 15 12.273 -2.444 4.625 1.00 0.24 C ATOM 237 SD MET A 15 12.301 -2.013 2.878 1.00 0.88 S ATOM 238 CE MET A 15 10.804 -2.824 2.321 1.00 0.28 C ATOM 0 H MET A 15 10.939 -3.105 7.006 1.00 0.20 H new ATOM 0 HA MET A 15 12.760 -5.366 6.442 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.605 -4.113 4.507 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.914 -4.528 4.307 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.287 -2.223 5.033 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.987 -1.818 5.160 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.392 -2.282 1.470 1.00 0.28 H new ATOM 0 HE2 MET A 15 11.034 -3.847 2.023 1.00 0.28 H new ATOM 0 HE3 MET A 15 10.074 -2.837 3.131 1.00 0.28 H new ATOM 248 N LYS A 16 14.693 -4.080 7.376 1.00 0.29 N ATOM 249 CA LYS A 16 15.743 -3.395 8.088 1.00 0.37 C ATOM 250 C LYS A 16 16.981 -3.287 7.216 1.00 0.40 C ATOM 251 O LYS A 16 17.159 -4.054 6.270 1.00 0.48 O ATOM 252 CB LYS A 16 16.059 -4.107 9.397 1.00 0.50 C ATOM 253 CG LYS A 16 16.500 -5.538 9.221 1.00 0.90 C ATOM 254 CD LYS A 16 16.813 -6.189 10.553 1.00 1.09 C ATOM 255 CE LYS A 16 15.556 -6.728 11.220 1.00 1.96 C ATOM 256 NZ LYS A 16 15.796 -7.128 12.630 1.00 2.58 N ATOM 0 H LYS A 16 14.932 -5.023 7.070 1.00 0.29 H new ATOM 0 HA LYS A 16 15.403 -2.388 8.329 1.00 0.37 H new ATOM 0 HB2 LYS A 16 16.842 -3.557 9.919 1.00 0.50 H new ATOM 0 HB3 LYS A 16 15.175 -4.085 10.034 1.00 0.50 H new ATOM 0 HG2 LYS A 16 15.717 -6.102 8.714 1.00 0.90 H new ATOM 0 HG3 LYS A 16 17.382 -5.572 8.582 1.00 0.90 H new ATOM 0 HD2 LYS A 16 17.524 -7.002 10.404 1.00 1.09 H new ATOM 0 HD3 LYS A 16 17.292 -5.463 11.210 1.00 1.09 H new ATOM 0 HE2 LYS A 16 14.775 -5.968 11.188 1.00 1.96 H new ATOM 0 HE3 LYS A 16 15.188 -7.587 10.658 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 15.215 -7.960 12.859 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 16.801 -7.362 12.758 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 15.540 -6.343 13.262 1.00 2.58 H new ATOM 270 N LYS A 17 17.798 -2.305 7.536 1.00 0.41 N ATOM 271 CA LYS A 17 18.966 -1.955 6.754 1.00 0.50 C ATOM 272 C LYS A 17 19.960 -3.105 6.684 1.00 0.60 C ATOM 273 O LYS A 17 20.504 -3.532 7.703 1.00 0.67 O ATOM 274 CB LYS A 17 19.625 -0.737 7.383 1.00 0.51 C ATOM 275 CG LYS A 17 19.944 0.364 6.397 1.00 0.52 C ATOM 276 CD LYS A 17 20.475 1.602 7.100 1.00 0.53 C ATOM 277 CE LYS A 17 19.435 2.200 8.036 1.00 0.62 C ATOM 278 NZ LYS A 17 19.951 3.383 8.775 1.00 0.92 N ATOM 0 H LYS A 17 17.667 -1.718 8.360 1.00 0.41 H new ATOM 0 HA LYS A 17 18.651 -1.734 5.734 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.968 -0.339 8.157 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.546 -1.048 7.876 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.682 0.008 5.678 1.00 0.52 H new ATOM 0 HG3 LYS A 17 19.047 0.621 5.833 1.00 0.52 H new ATOM 0 HD2 LYS A 17 21.370 1.345 7.666 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.769 2.345 6.359 1.00 0.53 H new ATOM 0 HE2 LYS A 17 18.556 2.490 7.460 1.00 0.62 H new ATOM 0 HE3 LYS A 17 19.113 1.441 8.749 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.237 3.703 9.460 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.823 3.124 9.279 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 20.154 4.150 8.103 1.00 0.92 H new ATOM 292 N GLY A 18 20.185 -3.591 5.475 1.00 0.68 N ATOM 293 CA GLY A 18 21.136 -4.660 5.261 1.00 0.85 C ATOM 294 C GLY A 18 22.557 -4.146 5.139 1.00 1.05 C ATOM 295 O GLY A 18 22.900 -3.118 5.726 1.00 1.28 O ATOM 0 H GLY A 18 19.721 -3.260 4.629 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.077 -5.367 6.088 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.870 -5.205 4.356 1.00 0.85 H new ATOM 299 N PRO A 19 23.408 -4.832 4.360 1.00 1.24 N ATOM 300 CA PRO A 19 24.827 -4.479 4.234 1.00 1.57 C ATOM 301 C PRO A 19 25.057 -3.145 3.518 1.00 1.57 C ATOM 302 O PRO A 19 26.003 -2.422 3.832 1.00 2.23 O ATOM 303 CB PRO A 19 25.410 -5.635 3.414 1.00 1.91 C ATOM 304 CG PRO A 19 24.254 -6.195 2.662 1.00 1.86 C ATOM 305 CD PRO A 19 23.055 -6.011 3.545 1.00 1.40 C ATOM 0 HA PRO A 19 25.292 -4.347 5.211 1.00 1.57 H new ATOM 0 HB2 PRO A 19 26.189 -5.285 2.737 1.00 1.91 H new ATOM 0 HB3 PRO A 19 25.863 -6.388 4.059 1.00 1.91 H new ATOM 0 HG2 PRO A 19 24.121 -5.679 1.711 1.00 1.86 H new ATOM 0 HG3 PRO A 19 24.412 -7.249 2.433 1.00 1.86 H new ATOM 0 HD2 PRO A 19 22.150 -5.840 2.963 1.00 1.40 H new ATOM 0 HD3 PRO A 19 22.874 -6.889 4.165 1.00 1.40 H new ATOM 313 N SER A 20 24.198 -2.817 2.566 1.00 1.40 N ATOM 314 CA SER A 20 24.356 -1.594 1.792 1.00 1.65 C ATOM 315 C SER A 20 23.263 -0.588 2.148 1.00 1.43 C ATOM 316 O SER A 20 23.415 0.618 1.944 1.00 1.93 O ATOM 317 CB SER A 20 24.319 -1.926 0.295 1.00 2.14 C ATOM 318 OG SER A 20 24.618 -0.794 -0.504 1.00 2.87 O ATOM 0 H SER A 20 23.386 -3.378 2.310 1.00 1.40 H new ATOM 0 HA SER A 20 25.319 -1.142 2.032 1.00 1.65 H new ATOM 0 HB2 SER A 20 25.034 -2.720 0.081 1.00 2.14 H new ATOM 0 HB3 SER A 20 23.332 -2.306 0.032 1.00 2.14 H new ATOM 0 HG SER A 20 24.586 -1.044 -1.451 1.00 2.87 H new ATOM 324 N GLY A 21 22.172 -1.090 2.703 1.00 1.04 N ATOM 325 CA GLY A 21 21.040 -0.250 3.011 1.00 0.94 C ATOM 326 C GLY A 21 19.741 -0.989 2.801 1.00 0.97 C ATOM 327 O GLY A 21 19.468 -1.983 3.468 1.00 1.93 O ATOM 0 H GLY A 21 22.052 -2.073 2.947 1.00 1.04 H new ATOM 0 HA2 GLY A 21 21.106 0.089 4.045 1.00 0.94 H new ATOM 0 HA3 GLY A 21 21.062 0.640 2.382 1.00 0.94 H new ATOM 331 N TYR A 22 18.946 -0.519 1.865 1.00 0.74 N ATOM 332 CA TYR A 22 17.721 -1.206 1.500 1.00 0.70 C ATOM 333 C TYR A 22 17.747 -1.490 0.004 1.00 0.89 C ATOM 334 O TYR A 22 18.497 -0.847 -0.732 1.00 1.82 O ATOM 335 CB TYR A 22 16.492 -0.376 1.884 1.00 0.64 C ATOM 336 CG TYR A 22 16.437 0.009 3.353 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.984 -0.883 4.323 1.00 0.47 C ATOM 338 CD2 TYR A 22 16.818 1.281 3.767 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.912 -0.512 5.651 1.00 0.46 C ATOM 340 CE2 TYR A 22 16.754 1.652 5.095 1.00 0.54 C ATOM 341 CZ TYR A 22 16.297 0.754 6.033 1.00 0.46 C ATOM 342 OH TYR A 22 16.229 1.119 7.358 1.00 0.59 O ATOM 0 H TYR A 22 19.124 0.337 1.340 1.00 0.74 H new ATOM 0 HA TYR A 22 17.654 -2.147 2.045 1.00 0.70 H new ATOM 0 HB2 TYR A 22 16.477 0.532 1.281 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.593 -0.940 1.633 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.685 -1.879 4.032 1.00 0.47 H new ATOM 0 HD2 TYR A 22 17.171 1.992 3.035 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.554 -1.214 6.390 1.00 0.46 H new ATOM 0 HE2 TYR A 22 17.061 2.642 5.397 1.00 0.54 H new ATOM 0 HH TYR A 22 16.496 0.362 7.920 1.00 0.59 H new ATOM 352 N GLY A 23 16.935 -2.429 -0.455 1.00 0.43 N ATOM 353 CA GLY A 23 17.058 -2.873 -1.831 1.00 0.42 C ATOM 354 C GLY A 23 15.782 -2.728 -2.626 1.00 0.39 C ATOM 355 O GLY A 23 15.126 -3.717 -2.950 1.00 0.39 O ATOM 0 H GLY A 23 16.203 -2.887 0.089 1.00 0.43 H new ATOM 0 HA2 GLY A 23 17.848 -2.303 -2.319 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.367 -3.918 -1.841 1.00 0.42 H new ATOM 359 N PHE A 24 15.427 -1.494 -2.943 1.00 0.37 N ATOM 360 CA PHE A 24 14.292 -1.223 -3.806 1.00 0.36 C ATOM 361 C PHE A 24 14.459 0.133 -4.474 1.00 0.38 C ATOM 362 O PHE A 24 15.114 1.028 -3.931 1.00 0.40 O ATOM 363 CB PHE A 24 12.967 -1.289 -3.028 1.00 0.34 C ATOM 364 CG PHE A 24 12.868 -0.323 -1.875 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.379 -0.650 -0.628 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.260 0.913 -2.039 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.287 0.236 0.428 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.165 1.801 -0.985 1.00 0.36 C ATOM 369 CZ PHE A 24 12.680 1.463 0.249 1.00 0.36 C ATOM 0 H PHE A 24 15.913 -0.660 -2.613 1.00 0.37 H new ATOM 0 HA PHE A 24 14.257 -1.994 -4.576 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.146 -1.096 -3.718 1.00 0.34 H new ATOM 0 HB3 PHE A 24 12.834 -2.302 -2.649 1.00 0.34 H new ATOM 0 HD1 PHE A 24 13.854 -1.608 -0.481 1.00 0.33 H new ATOM 0 HD2 PHE A 24 11.856 1.185 -3.003 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.690 -0.031 1.394 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.688 2.759 -1.127 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.609 2.157 1.074 1.00 0.36 H new ATOM 379 N ASN A 25 13.894 0.267 -5.659 1.00 0.43 N ATOM 380 CA ASN A 25 13.957 1.512 -6.409 1.00 0.46 C ATOM 381 C ASN A 25 12.582 2.154 -6.447 1.00 0.42 C ATOM 382 O ASN A 25 11.588 1.492 -6.755 1.00 0.39 O ATOM 383 CB ASN A 25 14.451 1.273 -7.841 1.00 0.51 C ATOM 384 CG ASN A 25 15.825 0.625 -7.917 1.00 1.23 C ATOM 385 OD1 ASN A 25 16.117 -0.109 -8.859 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.683 0.895 -6.944 1.00 1.65 N ATOM 0 H ASN A 25 13.380 -0.479 -6.129 1.00 0.43 H new ATOM 0 HA ASN A 25 14.663 2.175 -5.910 1.00 0.46 H new ATOM 0 HB2 ASN A 25 13.732 0.641 -8.362 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.479 2.226 -8.369 1.00 0.51 H new ATOM 0 HD21 ASN A 25 17.619 0.489 -6.962 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.408 1.508 -6.177 1.00 1.65 H new ATOM 393 N LEU A 26 12.526 3.439 -6.146 1.00 0.50 N ATOM 394 CA LEU A 26 11.265 4.158 -6.116 1.00 0.52 C ATOM 395 C LEU A 26 11.092 4.975 -7.381 1.00 0.55 C ATOM 396 O LEU A 26 12.034 5.614 -7.852 1.00 0.73 O ATOM 397 CB LEU A 26 11.196 5.084 -4.899 1.00 0.69 C ATOM 398 CG LEU A 26 11.139 4.381 -3.544 1.00 0.87 C ATOM 399 CD1 LEU A 26 11.165 5.398 -2.416 1.00 1.52 C ATOM 400 CD2 LEU A 26 9.893 3.515 -3.446 1.00 1.48 C ATOM 0 H LEU A 26 13.342 4.007 -5.918 1.00 0.50 H new ATOM 0 HA LEU A 26 10.462 3.424 -6.048 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.066 5.740 -4.913 1.00 0.69 H new ATOM 0 HB3 LEU A 26 10.316 5.720 -4.997 1.00 0.69 H new ATOM 0 HG LEU A 26 12.015 3.739 -3.452 1.00 0.87 H new ATOM 0 HD11 LEU A 26 11.124 4.880 -1.458 1.00 1.52 H new ATOM 0 HD12 LEU A 26 12.084 5.982 -2.474 1.00 1.52 H new ATOM 0 HD13 LEU A 26 10.306 6.063 -2.506 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.868 3.022 -2.474 1.00 1.48 H new ATOM 0 HD22 LEU A 26 9.006 4.139 -3.559 1.00 1.48 H new ATOM 0 HD23 LEU A 26 9.910 2.763 -4.235 1.00 1.48 H new ATOM 412 N HIS A 27 9.893 4.949 -7.941 1.00 0.56 N ATOM 413 CA HIS A 27 9.603 5.771 -9.098 1.00 0.67 C ATOM 414 C HIS A 27 8.396 6.655 -8.833 1.00 0.68 C ATOM 415 O HIS A 27 7.331 6.177 -8.434 1.00 0.95 O ATOM 416 CB HIS A 27 9.420 4.925 -10.372 1.00 1.23 C ATOM 417 CG HIS A 27 8.114 4.194 -10.521 1.00 0.70 C ATOM 418 ND1 HIS A 27 7.106 4.627 -11.355 1.00 0.97 N ATOM 419 CD2 HIS A 27 7.689 3.021 -10.004 1.00 0.81 C ATOM 420 CE1 HIS A 27 6.117 3.755 -11.339 1.00 1.30 C ATOM 421 NE2 HIS A 27 6.448 2.770 -10.530 1.00 1.34 N ATOM 0 H HIS A 27 9.116 4.374 -7.616 1.00 0.56 H new ATOM 0 HA HIS A 27 10.463 6.417 -9.274 1.00 0.67 H new ATOM 0 HB2 HIS A 27 9.543 5.580 -11.235 1.00 1.23 H new ATOM 0 HB3 HIS A 27 10.226 4.192 -10.411 1.00 1.23 H new ATOM 0 HD2 HIS A 27 8.227 2.397 -9.306 1.00 0.81 H new ATOM 0 HE1 HIS A 27 5.194 3.835 -11.894 1.00 1.30 H new ATOM 0 HE2 HIS A 27 5.874 1.952 -10.327 1.00 1.34 H new ATOM 430 N SER A 28 8.591 7.947 -9.017 1.00 0.75 N ATOM 431 CA SER A 28 7.540 8.920 -8.800 1.00 1.14 C ATOM 432 C SER A 28 6.945 9.370 -10.121 1.00 1.03 C ATOM 433 O SER A 28 7.671 9.682 -11.070 1.00 1.34 O ATOM 434 CB SER A 28 8.094 10.120 -8.031 1.00 1.74 C ATOM 435 OG SER A 28 9.373 10.492 -8.515 1.00 2.30 O ATOM 0 H SER A 28 9.478 8.349 -9.320 1.00 0.75 H new ATOM 0 HA SER A 28 6.749 8.454 -8.212 1.00 1.14 H new ATOM 0 HB2 SER A 28 7.408 10.962 -8.123 1.00 1.74 H new ATOM 0 HB3 SER A 28 8.160 9.877 -6.971 1.00 1.74 H new ATOM 0 HG SER A 28 9.868 10.956 -7.808 1.00 2.30 H new ATOM 529 N GLN A 35 4.752 7.519 -4.505 1.00 0.74 N ATOM 530 CA GLN A 35 5.921 6.670 -4.685 1.00 0.59 C ATOM 531 C GLN A 35 5.488 5.253 -5.025 1.00 0.52 C ATOM 532 O GLN A 35 4.678 4.656 -4.314 1.00 0.58 O ATOM 533 CB GLN A 35 6.769 6.657 -3.411 1.00 0.58 C ATOM 534 CG GLN A 35 7.335 8.016 -3.033 1.00 0.82 C ATOM 535 CD GLN A 35 8.411 8.491 -3.989 1.00 0.75 C ATOM 536 OE1 GLN A 35 9.593 8.233 -3.787 1.00 1.50 O ATOM 537 NE2 GLN A 35 8.012 9.184 -5.041 1.00 0.78 N ATOM 0 HA GLN A 35 6.518 7.070 -5.504 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.161 6.285 -2.586 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.593 5.955 -3.542 1.00 0.58 H new ATOM 0 HG2 GLN A 35 6.527 8.747 -3.010 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.747 7.965 -2.025 1.00 0.82 H new ATOM 0 HE21 GLN A 35 7.020 9.380 -5.177 1.00 0.78 H new ATOM 0 HE22 GLN A 35 8.696 9.523 -5.717 1.00 0.78 H new ATOM 546 N PHE A 36 6.022 4.709 -6.109 1.00 0.47 N ATOM 547 CA PHE A 36 5.700 3.350 -6.501 1.00 0.43 C ATOM 548 C PHE A 36 6.983 2.539 -6.572 1.00 0.39 C ATOM 549 O PHE A 36 8.042 3.083 -6.904 1.00 0.45 O ATOM 550 CB PHE A 36 5.000 3.328 -7.865 1.00 0.48 C ATOM 551 CG PHE A 36 3.822 4.255 -7.985 1.00 0.58 C ATOM 552 CD1 PHE A 36 3.995 5.567 -8.391 1.00 0.70 C ATOM 553 CD2 PHE A 36 2.544 3.815 -7.679 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.915 6.423 -8.490 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.460 4.666 -7.778 1.00 0.81 C ATOM 556 CZ PHE A 36 1.646 5.966 -8.227 1.00 0.87 C ATOM 0 H PHE A 36 6.677 5.187 -6.728 1.00 0.47 H new ATOM 0 HA PHE A 36 5.024 2.919 -5.763 1.00 0.43 H new ATOM 0 HB2 PHE A 36 5.727 3.586 -8.635 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.666 2.311 -8.070 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.985 5.925 -8.633 1.00 0.70 H new ATOM 0 HD2 PHE A 36 2.394 2.794 -7.359 1.00 0.68 H new ATOM 0 HE1 PHE A 36 3.068 7.453 -8.775 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.473 4.321 -7.507 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.796 6.617 -8.369 1.00 0.87 H new ATOM 566 N ILE A 37 6.903 1.255 -6.261 1.00 0.36 N ATOM 567 CA ILE A 37 8.075 0.398 -6.301 1.00 0.33 C ATOM 568 C ILE A 37 8.388 0.035 -7.745 1.00 0.33 C ATOM 569 O ILE A 37 7.678 -0.758 -8.361 1.00 0.38 O ATOM 570 CB ILE A 37 7.867 -0.895 -5.483 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.393 -0.569 -4.061 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.153 -1.712 -5.436 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.372 0.265 -3.261 1.00 0.38 C ATOM 0 H ILE A 37 6.042 0.786 -5.979 1.00 0.36 H new ATOM 0 HA ILE A 37 8.906 0.947 -5.858 1.00 0.33 H new ATOM 0 HB ILE A 37 7.096 -1.487 -5.976 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.442 -0.039 -4.119 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.206 -1.502 -3.529 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.987 -2.619 -4.855 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.451 -1.980 -6.450 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.942 -1.122 -4.969 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.964 0.452 -2.268 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.317 -0.271 -3.170 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.541 1.215 -3.769 1.00 0.38 H new ATOM 585 N ARG A 38 9.434 0.640 -8.285 1.00 0.34 N ATOM 586 CA ARG A 38 9.832 0.394 -9.661 1.00 0.41 C ATOM 587 C ARG A 38 10.508 -0.958 -9.772 1.00 0.40 C ATOM 588 O ARG A 38 10.206 -1.753 -10.663 1.00 0.49 O ATOM 589 CB ARG A 38 10.780 1.494 -10.140 1.00 0.50 C ATOM 590 CG ARG A 38 11.203 1.346 -11.589 1.00 0.67 C ATOM 591 CD ARG A 38 12.092 2.494 -12.022 1.00 1.24 C ATOM 592 NE ARG A 38 12.565 2.341 -13.395 1.00 1.56 N ATOM 593 CZ ARG A 38 13.779 2.705 -13.808 1.00 2.17 C ATOM 594 NH1 ARG A 38 14.634 3.260 -12.958 1.00 2.83 N ATOM 595 NH2 ARG A 38 14.137 2.521 -15.069 1.00 2.62 N ATOM 0 H ARG A 38 10.024 1.307 -7.789 1.00 0.34 H new ATOM 0 HA ARG A 38 8.942 0.398 -10.290 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.295 2.461 -10.009 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.669 1.495 -9.509 1.00 0.50 H new ATOM 0 HG2 ARG A 38 11.733 0.403 -11.721 1.00 0.67 H new ATOM 0 HG3 ARG A 38 10.319 1.307 -12.226 1.00 0.67 H new ATOM 0 HD2 ARG A 38 11.542 3.431 -11.932 1.00 1.24 H new ATOM 0 HD3 ARG A 38 12.948 2.561 -11.350 1.00 1.24 H new ATOM 0 HE ARG A 38 11.929 1.931 -14.079 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.363 3.409 -11.986 1.00 2.83 H new ATOM 0 HH12 ARG A 38 15.562 3.538 -13.277 1.00 2.83 H new ATOM 0 HH21 ARG A 38 13.483 2.099 -15.728 1.00 2.62 H new ATOM 0 HH22 ARG A 38 15.067 2.801 -15.381 1.00 2.62 H new ATOM 609 N SER A 39 11.408 -1.213 -8.840 1.00 0.36 N ATOM 610 CA SER A 39 12.173 -2.440 -8.830 1.00 0.40 C ATOM 611 C SER A 39 12.506 -2.817 -7.398 1.00 0.32 C ATOM 612 O SER A 39 12.692 -1.944 -6.552 1.00 0.37 O ATOM 613 CB SER A 39 13.464 -2.265 -9.637 1.00 0.54 C ATOM 614 OG SER A 39 13.191 -1.801 -10.951 1.00 1.26 O ATOM 0 H SER A 39 11.626 -0.577 -8.073 1.00 0.36 H new ATOM 0 HA SER A 39 11.581 -3.234 -9.286 1.00 0.40 H new ATOM 0 HB2 SER A 39 14.121 -1.559 -9.129 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.996 -3.215 -9.687 1.00 0.54 H new ATOM 0 HG SER A 39 14.032 -1.697 -11.443 1.00 1.26 H new ATOM 620 N VAL A 40 12.557 -4.104 -7.121 1.00 0.36 N ATOM 621 CA VAL A 40 12.982 -4.578 -5.821 1.00 0.30 C ATOM 622 C VAL A 40 14.167 -5.516 -6.004 1.00 0.31 C ATOM 623 O VAL A 40 14.153 -6.389 -6.875 1.00 0.37 O ATOM 624 CB VAL A 40 11.832 -5.274 -5.047 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.357 -6.530 -5.758 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.255 -5.591 -3.620 1.00 0.32 C ATOM 0 H VAL A 40 12.309 -4.841 -7.781 1.00 0.36 H new ATOM 0 HA VAL A 40 13.280 -3.721 -5.217 1.00 0.30 H new ATOM 0 HB VAL A 40 10.993 -4.578 -5.012 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.551 -6.989 -5.186 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.993 -6.270 -6.752 1.00 0.37 H new ATOM 0 HG13 VAL A 40 12.185 -7.233 -5.847 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.433 -6.079 -3.097 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.120 -6.255 -3.636 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.516 -4.667 -3.104 1.00 0.32 H new ATOM 636 N ASP A 41 15.200 -5.299 -5.213 1.00 0.35 N ATOM 637 CA ASP A 41 16.448 -6.030 -5.356 1.00 0.45 C ATOM 638 C ASP A 41 16.274 -7.481 -4.927 1.00 0.48 C ATOM 639 O ASP A 41 15.779 -7.761 -3.835 1.00 0.51 O ATOM 640 CB ASP A 41 17.543 -5.352 -4.530 1.00 0.54 C ATOM 641 CG ASP A 41 18.867 -6.086 -4.594 1.00 1.27 C ATOM 642 OD1 ASP A 41 19.477 -6.128 -5.681 1.00 1.32 O ATOM 643 OD2 ASP A 41 19.309 -6.617 -3.554 1.00 2.28 O ATOM 0 H ASP A 41 15.200 -4.615 -4.456 1.00 0.35 H new ATOM 0 HA ASP A 41 16.742 -6.022 -6.406 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.681 -4.331 -4.887 1.00 0.54 H new ATOM 0 HB3 ASP A 41 17.220 -5.286 -3.491 1.00 0.54 H new ATOM 648 N PRO A 42 16.641 -8.420 -5.805 1.00 0.58 N ATOM 649 CA PRO A 42 16.558 -9.853 -5.511 1.00 0.69 C ATOM 650 C PRO A 42 17.335 -10.240 -4.256 1.00 0.69 C ATOM 651 O PRO A 42 18.535 -9.969 -4.143 1.00 1.17 O ATOM 652 CB PRO A 42 17.178 -10.508 -6.746 1.00 0.84 C ATOM 653 CG PRO A 42 17.012 -9.504 -7.833 1.00 0.93 C ATOM 654 CD PRO A 42 17.139 -8.163 -7.168 1.00 0.69 C ATOM 0 HA PRO A 42 15.532 -10.166 -5.315 1.00 0.69 H new ATOM 0 HB2 PRO A 42 18.230 -10.744 -6.583 1.00 0.84 H new ATOM 0 HB3 PRO A 42 16.676 -11.444 -6.992 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.771 -9.632 -8.604 1.00 0.93 H new ATOM 0 HG3 PRO A 42 16.042 -9.610 -8.320 1.00 0.93 H new ATOM 0 HD2 PRO A 42 18.171 -7.812 -7.161 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.547 -7.402 -7.677 1.00 0.69 H new ATOM 662 N ASP A 43 16.624 -10.866 -3.320 1.00 0.75 N ATOM 663 CA ASP A 43 17.195 -11.341 -2.058 1.00 0.87 C ATOM 664 C ASP A 43 17.689 -10.182 -1.201 1.00 0.70 C ATOM 665 O ASP A 43 18.708 -10.286 -0.512 1.00 0.86 O ATOM 666 CB ASP A 43 18.324 -12.350 -2.300 1.00 1.14 C ATOM 667 CG ASP A 43 17.846 -13.596 -3.015 1.00 1.69 C ATOM 668 OD1 ASP A 43 16.716 -14.056 -2.734 1.00 1.92 O ATOM 669 OD2 ASP A 43 18.595 -14.124 -3.864 1.00 2.40 O ATOM 0 H ASP A 43 15.627 -11.060 -3.416 1.00 0.75 H new ATOM 0 HA ASP A 43 16.398 -11.849 -1.515 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.110 -11.876 -2.888 1.00 1.14 H new ATOM 0 HB3 ASP A 43 18.767 -12.631 -1.344 1.00 1.14 H new ATOM 674 N SER A 44 16.964 -9.079 -1.254 1.00 0.57 N ATOM 675 CA SER A 44 17.268 -7.926 -0.426 1.00 0.48 C ATOM 676 C SER A 44 16.378 -7.940 0.805 1.00 0.40 C ATOM 677 O SER A 44 15.390 -8.678 0.841 1.00 0.39 O ATOM 678 CB SER A 44 17.036 -6.631 -1.208 1.00 0.47 C ATOM 679 OG SER A 44 15.667 -6.494 -1.563 1.00 0.46 O ATOM 0 H SER A 44 16.156 -8.957 -1.865 1.00 0.57 H new ATOM 0 HA SER A 44 18.315 -7.973 -0.126 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.348 -5.777 -0.607 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.652 -6.629 -2.108 1.00 0.47 H new ATOM 0 HG SER A 44 15.458 -7.105 -2.300 1.00 0.46 H new ATOM 685 N PRO A 45 16.696 -7.135 1.830 1.00 0.43 N ATOM 686 CA PRO A 45 15.820 -6.980 2.988 1.00 0.45 C ATOM 687 C PRO A 45 14.440 -6.471 2.575 1.00 0.38 C ATOM 688 O PRO A 45 13.442 -6.724 3.248 1.00 0.39 O ATOM 689 CB PRO A 45 16.540 -5.948 3.866 1.00 0.57 C ATOM 690 CG PRO A 45 17.558 -5.310 2.981 1.00 0.65 C ATOM 691 CD PRO A 45 17.931 -6.347 1.962 1.00 0.52 C ATOM 0 HA PRO A 45 15.646 -7.924 3.504 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.840 -5.208 4.256 1.00 0.57 H new ATOM 0 HB3 PRO A 45 17.011 -6.425 4.725 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.153 -4.419 2.501 1.00 0.65 H new ATOM 0 HG3 PRO A 45 18.430 -4.995 3.554 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.226 -5.895 1.015 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.768 -6.960 2.297 1.00 0.52 H new ATOM 699 N ALA A 46 14.396 -5.772 1.441 1.00 0.35 N ATOM 700 CA ALA A 46 13.152 -5.235 0.916 1.00 0.33 C ATOM 701 C ALA A 46 12.263 -6.359 0.404 1.00 0.30 C ATOM 702 O ALA A 46 11.107 -6.475 0.804 1.00 0.31 O ATOM 703 CB ALA A 46 13.430 -4.231 -0.190 1.00 0.36 C ATOM 0 H ALA A 46 15.215 -5.566 0.869 1.00 0.35 H new ATOM 0 HA ALA A 46 12.630 -4.721 1.723 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.487 -3.839 -0.571 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.030 -3.411 0.205 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.973 -4.721 -0.998 1.00 0.36 H new ATOM 709 N GLU A 47 12.811 -7.206 -0.457 1.00 0.31 N ATOM 710 CA GLU A 47 12.057 -8.334 -0.987 1.00 0.33 C ATOM 711 C GLU A 47 11.685 -9.301 0.134 1.00 0.34 C ATOM 712 O GLU A 47 10.592 -9.868 0.141 1.00 0.40 O ATOM 713 CB GLU A 47 12.854 -9.056 -2.078 1.00 0.40 C ATOM 714 CG GLU A 47 12.165 -10.308 -2.604 1.00 0.53 C ATOM 715 CD GLU A 47 12.929 -10.984 -3.722 1.00 1.12 C ATOM 716 OE1 GLU A 47 14.048 -11.470 -3.473 1.00 2.01 O ATOM 717 OE2 GLU A 47 12.402 -11.044 -4.855 1.00 1.51 O ATOM 0 H GLU A 47 13.768 -7.135 -0.801 1.00 0.31 H new ATOM 0 HA GLU A 47 11.139 -7.952 -1.433 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.025 -8.369 -2.907 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.833 -9.328 -1.682 1.00 0.40 H new ATOM 0 HG2 GLU A 47 12.033 -11.014 -1.784 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.169 -10.044 -2.961 1.00 0.53 H new ATOM 724 N ALA A 48 12.585 -9.453 1.098 1.00 0.34 N ATOM 725 CA ALA A 48 12.370 -10.360 2.222 1.00 0.38 C ATOM 726 C ALA A 48 11.235 -9.888 3.130 1.00 0.37 C ATOM 727 O ALA A 48 10.645 -10.686 3.860 1.00 0.47 O ATOM 728 CB ALA A 48 13.654 -10.518 3.022 1.00 0.44 C ATOM 0 H ALA A 48 13.476 -8.957 1.125 1.00 0.34 H new ATOM 0 HA ALA A 48 12.079 -11.327 1.812 1.00 0.38 H new ATOM 0 HB1 ALA A 48 13.481 -11.197 3.857 1.00 0.44 H new ATOM 0 HB2 ALA A 48 14.435 -10.925 2.380 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.967 -9.546 3.403 1.00 0.44 H new ATOM 734 N SER A 49 10.935 -8.591 3.093 1.00 0.31 N ATOM 735 CA SER A 49 9.864 -8.034 3.900 1.00 0.32 C ATOM 736 C SER A 49 8.511 -8.274 3.233 1.00 0.35 C ATOM 737 O SER A 49 7.460 -8.115 3.856 1.00 0.40 O ATOM 738 CB SER A 49 10.096 -6.535 4.113 1.00 0.32 C ATOM 739 OG SER A 49 9.817 -5.791 2.941 1.00 0.31 O ATOM 0 H SER A 49 11.422 -7.910 2.511 1.00 0.31 H new ATOM 0 HA SER A 49 9.860 -8.532 4.870 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.465 -6.181 4.928 1.00 0.32 H new ATOM 0 HB3 SER A 49 11.130 -6.366 4.414 1.00 0.32 H new ATOM 0 HG SER A 49 10.512 -5.962 2.272 1.00 0.31 H new ATOM 745 N GLY A 50 8.552 -8.668 1.964 1.00 0.36 N ATOM 746 CA GLY A 50 7.334 -8.896 1.212 1.00 0.43 C ATOM 747 C GLY A 50 7.047 -7.781 0.224 1.00 0.43 C ATOM 748 O GLY A 50 5.892 -7.535 -0.127 1.00 0.62 O ATOM 0 H GLY A 50 9.412 -8.834 1.442 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.413 -9.842 0.676 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.496 -8.990 1.903 1.00 0.43 H new ATOM 752 N LEU A 51 8.096 -7.104 -0.221 1.00 0.41 N ATOM 753 CA LEU A 51 7.955 -6.016 -1.180 1.00 0.40 C ATOM 754 C LEU A 51 8.167 -6.526 -2.599 1.00 0.48 C ATOM 755 O LEU A 51 9.116 -7.267 -2.868 1.00 0.65 O ATOM 756 CB LEU A 51 8.955 -4.900 -0.879 1.00 0.38 C ATOM 757 CG LEU A 51 8.755 -3.613 -1.681 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.465 -2.922 -1.264 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.944 -2.684 -1.504 1.00 0.37 C ATOM 0 H LEU A 51 9.057 -7.289 0.067 1.00 0.41 H new ATOM 0 HA LEU A 51 6.944 -5.617 -1.093 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.899 -4.660 0.183 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.961 -5.275 -1.068 1.00 0.38 H new ATOM 0 HG LEU A 51 8.679 -3.872 -2.737 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.338 -2.008 -1.844 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.621 -3.587 -1.445 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.511 -2.675 -0.203 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.784 -1.774 -2.082 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.053 -2.430 -0.450 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.849 -3.181 -1.853 1.00 0.37 H new ATOM 771 N ARG A 52 7.278 -6.140 -3.496 1.00 0.53 N ATOM 772 CA ARG A 52 7.374 -6.542 -4.888 1.00 0.65 C ATOM 773 C ARG A 52 7.433 -5.303 -5.780 1.00 0.55 C ATOM 774 O ARG A 52 7.014 -4.219 -5.379 1.00 0.61 O ATOM 775 CB ARG A 52 6.177 -7.429 -5.256 1.00 0.86 C ATOM 776 CG ARG A 52 6.332 -8.181 -6.574 1.00 1.23 C ATOM 777 CD ARG A 52 7.636 -8.972 -6.621 1.00 2.05 C ATOM 778 NE ARG A 52 7.830 -9.797 -5.429 1.00 2.59 N ATOM 779 CZ ARG A 52 9.014 -10.265 -5.027 1.00 3.57 C ATOM 780 NH1 ARG A 52 10.102 -10.049 -5.757 1.00 4.13 N ATOM 781 NH2 ARG A 52 9.104 -10.970 -3.907 1.00 4.38 N ATOM 0 H ARG A 52 6.477 -5.545 -3.284 1.00 0.53 H new ATOM 0 HA ARG A 52 8.287 -7.118 -5.041 1.00 0.65 H new ATOM 0 HB2 ARG A 52 6.016 -8.152 -4.456 1.00 0.86 H new ATOM 0 HB3 ARG A 52 5.283 -6.808 -5.309 1.00 0.86 H new ATOM 0 HG2 ARG A 52 5.489 -8.860 -6.707 1.00 1.23 H new ATOM 0 HG3 ARG A 52 6.305 -7.473 -7.402 1.00 1.23 H new ATOM 0 HD2 ARG A 52 7.640 -9.609 -7.505 1.00 2.05 H new ATOM 0 HD3 ARG A 52 8.473 -8.282 -6.722 1.00 2.05 H new ATOM 0 HE ARG A 52 7.009 -10.029 -4.870 1.00 2.59 H new ATOM 0 HH11 ARG A 52 10.035 -9.524 -6.629 1.00 4.13 H new ATOM 0 HH12 ARG A 52 11.004 -10.408 -5.446 1.00 4.13 H new ATOM 0 HH21 ARG A 52 8.268 -11.155 -3.352 1.00 4.38 H new ATOM 0 HH22 ARG A 52 10.009 -11.327 -3.601 1.00 4.38 H new ATOM 795 N ALA A 53 7.947 -5.468 -6.994 1.00 0.53 N ATOM 796 CA ALA A 53 8.164 -4.348 -7.906 1.00 0.54 C ATOM 797 C ALA A 53 6.870 -3.899 -8.580 1.00 0.61 C ATOM 798 O ALA A 53 6.888 -3.392 -9.702 1.00 1.44 O ATOM 799 CB ALA A 53 9.197 -4.728 -8.957 1.00 0.68 C ATOM 0 H ALA A 53 8.223 -6.374 -7.373 1.00 0.53 H new ATOM 0 HA ALA A 53 8.533 -3.509 -7.316 1.00 0.54 H new ATOM 0 HB1 ALA A 53 9.354 -3.888 -9.634 1.00 0.68 H new ATOM 0 HB2 ALA A 53 10.138 -4.980 -8.468 1.00 0.68 H new ATOM 0 HB3 ALA A 53 8.840 -5.588 -9.523 1.00 0.68 H new ATOM 805 N GLN A 54 5.750 -4.088 -7.896 1.00 0.65 N ATOM 806 CA GLN A 54 4.450 -3.690 -8.421 1.00 0.74 C ATOM 807 C GLN A 54 3.674 -2.937 -7.352 1.00 0.59 C ATOM 808 O GLN A 54 2.541 -2.501 -7.575 1.00 0.67 O ATOM 809 CB GLN A 54 3.641 -4.919 -8.852 1.00 0.99 C ATOM 810 CG GLN A 54 4.386 -5.873 -9.775 1.00 1.46 C ATOM 811 CD GLN A 54 4.737 -5.256 -11.115 1.00 2.34 C ATOM 812 OE1 GLN A 54 5.744 -5.609 -11.725 1.00 2.99 O ATOM 813 NE2 GLN A 54 3.911 -4.338 -11.588 1.00 3.06 N ATOM 0 H GLN A 54 5.715 -4.517 -6.971 1.00 0.65 H new ATOM 0 HA GLN A 54 4.612 -3.048 -9.287 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.330 -5.464 -7.961 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.733 -4.583 -9.353 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.301 -6.203 -9.284 1.00 1.46 H new ATOM 0 HG3 GLN A 54 3.775 -6.760 -9.940 1.00 1.46 H new ATOM 0 HE21 GLN A 54 3.085 -4.071 -11.053 1.00 3.06 H new ATOM 0 HE22 GLN A 54 4.100 -3.897 -12.488 1.00 3.06 H new ATOM 822 N ASP A 55 4.304 -2.768 -6.203 1.00 0.47 N ATOM 823 CA ASP A 55 3.631 -2.235 -5.030 1.00 0.45 C ATOM 824 C ASP A 55 3.700 -0.713 -4.998 1.00 0.39 C ATOM 825 O ASP A 55 4.605 -0.105 -5.574 1.00 0.48 O ATOM 826 CB ASP A 55 4.268 -2.796 -3.749 1.00 0.50 C ATOM 827 CG ASP A 55 4.272 -4.315 -3.675 1.00 0.67 C ATOM 828 OD1 ASP A 55 3.607 -4.970 -4.501 1.00 1.02 O ATOM 829 OD2 ASP A 55 4.944 -4.870 -2.775 1.00 1.01 O ATOM 0 H ASP A 55 5.288 -2.994 -6.056 1.00 0.47 H new ATOM 0 HA ASP A 55 2.585 -2.538 -5.084 1.00 0.45 H new ATOM 0 HB2 ASP A 55 5.294 -2.436 -3.678 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.732 -2.402 -2.886 1.00 0.50 H new ATOM 834 N ARG A 56 2.734 -0.103 -4.331 1.00 0.38 N ATOM 835 CA ARG A 56 2.779 1.326 -4.052 1.00 0.42 C ATOM 836 C ARG A 56 2.845 1.545 -2.552 1.00 0.39 C ATOM 837 O ARG A 56 2.095 0.920 -1.801 1.00 0.39 O ATOM 838 CB ARG A 56 1.545 2.054 -4.588 1.00 0.56 C ATOM 839 CG ARG A 56 1.520 3.525 -4.185 1.00 0.78 C ATOM 840 CD ARG A 56 0.105 4.049 -4.027 1.00 0.79 C ATOM 841 NE ARG A 56 -0.596 4.139 -5.299 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.760 3.553 -5.550 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.363 2.833 -4.616 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.335 3.697 -6.733 1.00 1.57 N ATOM 0 H ARG A 56 1.905 -0.576 -3.971 1.00 0.38 H new ATOM 0 HA ARG A 56 3.662 1.727 -4.549 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.524 1.977 -5.675 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.646 1.562 -4.216 1.00 0.56 H new ATOM 0 HG2 ARG A 56 2.060 3.653 -3.247 1.00 0.78 H new ATOM 0 HG3 ARG A 56 2.043 4.116 -4.937 1.00 0.78 H new ATOM 0 HD2 ARG A 56 -0.450 3.394 -3.355 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.135 5.034 -3.561 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.166 4.687 -6.044 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.933 2.726 -3.697 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -3.258 2.385 -4.815 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -1.884 4.259 -7.454 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.230 3.246 -6.924 1.00 1.57 H new ATOM 858 N ILE A 57 3.719 2.438 -2.118 1.00 0.40 N ATOM 859 CA ILE A 57 3.806 2.777 -0.709 1.00 0.38 C ATOM 860 C ILE A 57 2.669 3.722 -0.338 1.00 0.38 C ATOM 861 O ILE A 57 2.512 4.782 -0.941 1.00 0.49 O ATOM 862 CB ILE A 57 5.157 3.436 -0.367 1.00 0.46 C ATOM 863 CG1 ILE A 57 6.310 2.512 -0.761 1.00 0.53 C ATOM 864 CG2 ILE A 57 5.222 3.768 1.118 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.681 3.093 -0.490 1.00 0.68 C ATOM 0 H ILE A 57 4.375 2.938 -2.718 1.00 0.40 H new ATOM 0 HA ILE A 57 3.726 1.853 -0.136 1.00 0.38 H new ATOM 0 HB ILE A 57 5.248 4.364 -0.932 1.00 0.46 H new ATOM 0 HG12 ILE A 57 6.211 1.572 -0.219 1.00 0.53 H new ATOM 0 HG13 ILE A 57 6.229 2.278 -1.822 1.00 0.53 H new ATOM 0 HG21 ILE A 57 6.181 4.233 1.345 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.416 4.456 1.373 1.00 0.45 H new ATOM 0 HG23 ILE A 57 5.115 2.853 1.700 1.00 0.45 H new ATOM 0 HD11 ILE A 57 8.446 2.379 -0.796 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.802 4.018 -1.054 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.784 3.301 0.575 1.00 0.68 H new ATOM 877 N VAL A 58 1.872 3.323 0.639 1.00 0.29 N ATOM 878 CA VAL A 58 0.751 4.132 1.092 1.00 0.32 C ATOM 879 C VAL A 58 1.066 4.770 2.436 1.00 0.30 C ATOM 880 O VAL A 58 0.795 5.948 2.650 1.00 0.37 O ATOM 881 CB VAL A 58 -0.538 3.294 1.214 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.715 4.167 1.616 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.836 2.563 -0.085 1.00 0.62 C ATOM 0 H VAL A 58 1.981 2.439 1.136 1.00 0.29 H new ATOM 0 HA VAL A 58 0.589 4.910 0.346 1.00 0.32 H new ATOM 0 HB VAL A 58 -0.381 2.550 1.995 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.613 3.554 1.696 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.509 4.635 2.579 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -1.869 4.939 0.863 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.750 1.979 0.027 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -0.965 3.288 -0.889 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.007 1.897 -0.326 1.00 0.62 H new ATOM 893 N GLU A 59 1.638 3.986 3.339 1.00 0.24 N ATOM 894 CA GLU A 59 2.039 4.495 4.642 1.00 0.25 C ATOM 895 C GLU A 59 3.441 4.005 4.985 1.00 0.22 C ATOM 896 O GLU A 59 3.813 2.881 4.647 1.00 0.23 O ATOM 897 CB GLU A 59 1.060 4.057 5.741 1.00 0.29 C ATOM 898 CG GLU A 59 -0.385 4.453 5.475 1.00 0.40 C ATOM 899 CD GLU A 59 -1.267 4.335 6.702 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.348 3.226 7.266 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.884 5.340 7.112 1.00 0.89 O ATOM 0 H GLU A 59 1.835 2.996 3.193 1.00 0.24 H new ATOM 0 HA GLU A 59 2.031 5.584 4.590 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.115 2.974 5.852 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.376 4.491 6.689 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.413 5.480 5.111 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.789 3.823 4.682 1.00 0.40 H new ATOM 908 N VAL A 60 4.219 4.854 5.641 1.00 0.22 N ATOM 909 CA VAL A 60 5.551 4.481 6.092 1.00 0.21 C ATOM 910 C VAL A 60 5.633 4.606 7.601 1.00 0.22 C ATOM 911 O VAL A 60 5.458 5.696 8.145 1.00 0.27 O ATOM 912 CB VAL A 60 6.657 5.358 5.464 1.00 0.23 C ATOM 913 CG1 VAL A 60 8.028 4.904 5.941 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.584 5.325 3.948 1.00 0.66 C ATOM 0 H VAL A 60 3.949 5.810 5.873 1.00 0.22 H new ATOM 0 HA VAL A 60 5.716 3.451 5.775 1.00 0.21 H new ATOM 0 HB VAL A 60 6.498 6.387 5.787 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.796 5.532 5.490 1.00 0.54 H new ATOM 0 HG12 VAL A 60 8.082 4.988 7.026 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.190 3.866 5.649 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.374 5.951 3.532 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.712 4.300 3.600 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.614 5.701 3.622 1.00 0.66 H new ATOM 924 N ASN A 61 5.879 3.485 8.269 1.00 0.25 N ATOM 925 CA ASN A 61 6.006 3.450 9.725 1.00 0.30 C ATOM 926 C ASN A 61 4.736 3.966 10.396 1.00 0.36 C ATOM 927 O ASN A 61 4.782 4.544 11.481 1.00 0.47 O ATOM 928 CB ASN A 61 7.218 4.273 10.187 1.00 0.39 C ATOM 929 CG ASN A 61 8.530 3.774 9.605 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.710 2.579 9.364 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.458 4.690 9.365 1.00 0.61 N ATOM 0 H ASN A 61 5.996 2.576 7.820 1.00 0.25 H new ATOM 0 HA ASN A 61 6.156 2.412 10.021 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.073 5.315 9.902 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.276 4.246 11.275 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.356 4.414 8.968 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.274 5.670 9.577 1.00 0.61 H new ATOM 938 N GLY A 62 3.604 3.763 9.731 1.00 0.37 N ATOM 939 CA GLY A 62 2.327 4.196 10.274 1.00 0.50 C ATOM 940 C GLY A 62 1.935 5.592 9.825 1.00 0.51 C ATOM 941 O GLY A 62 0.829 6.054 10.111 1.00 0.66 O ATOM 0 H GLY A 62 3.547 3.304 8.822 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.552 3.492 9.971 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.374 4.170 11.363 1.00 0.50 H new ATOM 945 N VAL A 63 2.834 6.265 9.126 1.00 0.42 N ATOM 946 CA VAL A 63 2.570 7.615 8.645 1.00 0.50 C ATOM 947 C VAL A 63 2.069 7.582 7.202 1.00 0.43 C ATOM 948 O VAL A 63 2.732 7.031 6.322 1.00 0.39 O ATOM 949 CB VAL A 63 3.833 8.496 8.727 1.00 0.61 C ATOM 950 CG1 VAL A 63 3.507 9.938 8.371 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.457 8.409 10.111 1.00 1.17 C ATOM 0 H VAL A 63 3.754 5.900 8.878 1.00 0.42 H new ATOM 0 HA VAL A 63 1.801 8.046 9.287 1.00 0.50 H new ATOM 0 HB VAL A 63 4.558 8.124 8.003 1.00 0.61 H new ATOM 0 HG11 VAL A 63 4.412 10.542 8.435 1.00 0.98 H new ATOM 0 HG12 VAL A 63 3.113 9.982 7.356 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.762 10.325 9.067 1.00 0.98 H new ATOM 0 HG21 VAL A 63 5.347 9.037 10.149 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.739 8.751 10.856 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.733 7.376 10.321 1.00 1.17 H new ATOM 961 N CYS A 64 0.902 8.170 6.975 1.00 0.49 N ATOM 962 CA CYS A 64 0.270 8.170 5.661 1.00 0.49 C ATOM 963 C CYS A 64 1.087 8.977 4.656 1.00 0.47 C ATOM 964 O CYS A 64 1.577 10.063 4.968 1.00 0.51 O ATOM 965 CB CYS A 64 -1.144 8.743 5.766 1.00 0.59 C ATOM 966 SG CYS A 64 -2.094 8.661 4.232 1.00 1.68 S ATOM 0 H CYS A 64 0.368 8.659 7.693 1.00 0.49 H new ATOM 0 HA CYS A 64 0.220 7.141 5.306 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.685 8.204 6.544 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.079 9.783 6.085 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.275 9.168 4.426 1.00 1.68 H new ATOM 972 N MET A 65 1.233 8.440 3.449 1.00 0.48 N ATOM 973 CA MET A 65 2.011 9.097 2.407 1.00 0.53 C ATOM 974 C MET A 65 1.156 9.446 1.198 1.00 0.61 C ATOM 975 O MET A 65 1.656 9.984 0.211 1.00 0.81 O ATOM 976 CB MET A 65 3.188 8.218 1.986 1.00 0.61 C ATOM 977 CG MET A 65 4.192 8.028 3.100 1.00 0.63 C ATOM 978 SD MET A 65 4.794 9.604 3.730 1.00 0.61 S ATOM 979 CE MET A 65 5.504 9.090 5.282 1.00 0.74 C ATOM 0 H MET A 65 0.821 7.550 3.169 1.00 0.48 H new ATOM 0 HA MET A 65 2.392 10.030 2.823 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.815 7.245 1.666 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.684 8.667 1.126 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.733 7.463 3.911 1.00 0.63 H new ATOM 0 HG3 MET A 65 5.032 7.437 2.736 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.874 9.963 5.820 1.00 0.74 H new ATOM 0 HE2 MET A 65 4.744 8.589 5.882 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.329 8.403 5.095 1.00 0.74 H new ATOM 989 N GLU A 66 -0.133 9.157 1.280 1.00 0.83 N ATOM 990 CA GLU A 66 -1.046 9.502 0.201 1.00 1.01 C ATOM 991 C GLU A 66 -1.357 10.990 0.260 1.00 1.08 C ATOM 992 O GLU A 66 -2.194 11.433 1.049 1.00 1.86 O ATOM 993 CB GLU A 66 -2.331 8.676 0.290 1.00 1.29 C ATOM 994 CG GLU A 66 -2.638 7.887 -0.977 1.00 2.19 C ATOM 995 CD GLU A 66 -2.916 8.775 -2.177 1.00 3.03 C ATOM 996 OE1 GLU A 66 -1.955 9.173 -2.872 1.00 3.75 O ATOM 997 OE2 GLU A 66 -4.100 9.071 -2.438 1.00 3.33 O ATOM 0 H GLU A 66 -0.568 8.689 2.075 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.572 9.273 -0.753 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.251 7.984 1.128 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -3.167 9.342 0.505 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -1.796 7.233 -1.204 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.501 7.246 -0.799 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.650 11.757 -0.558 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.787 13.200 -0.537 1.00 1.36 C ATOM 1006 C GLY A 67 0.520 13.881 -0.182 1.00 1.24 C ATOM 1007 O GLY A 67 0.626 15.108 -0.236 1.00 1.47 O ATOM 0 H GLY A 67 0.020 11.403 -1.240 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -1.125 13.548 -1.513 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.553 13.483 0.185 1.00 1.36 H new ATOM 1011 N LYS A 68 1.505 13.079 0.204 1.00 0.97 N ATOM 1012 CA LYS A 68 2.833 13.583 0.533 1.00 0.87 C ATOM 1013 C LYS A 68 3.678 13.746 -0.723 1.00 0.90 C ATOM 1014 O LYS A 68 3.322 13.252 -1.794 1.00 1.06 O ATOM 1015 CB LYS A 68 3.541 12.626 1.493 1.00 0.73 C ATOM 1016 CG LYS A 68 2.796 12.404 2.796 1.00 1.24 C ATOM 1017 CD LYS A 68 2.660 13.688 3.592 1.00 2.01 C ATOM 1018 CE LYS A 68 1.863 13.460 4.861 1.00 2.81 C ATOM 1019 NZ LYS A 68 2.519 12.471 5.758 1.00 3.36 N ATOM 0 H LYS A 68 1.407 12.068 0.297 1.00 0.97 H new ATOM 0 HA LYS A 68 2.712 14.556 1.009 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.680 11.666 0.997 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.534 13.017 1.715 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.806 12.001 2.584 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.322 11.660 3.394 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.649 14.070 3.844 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.170 14.448 2.983 1.00 2.01 H new ATOM 0 HE2 LYS A 68 1.743 14.406 5.389 1.00 2.81 H new ATOM 0 HE3 LYS A 68 0.863 13.110 4.604 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 2.343 12.731 6.749 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 2.130 11.524 5.574 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 3.543 12.465 5.578 1.00 3.36 H new ATOM 1033 N GLN A 69 4.794 14.446 -0.580 1.00 0.87 N ATOM 1034 CA GLN A 69 5.723 14.633 -1.684 1.00 0.93 C ATOM 1035 C GLN A 69 6.824 13.580 -1.650 1.00 0.81 C ATOM 1036 O GLN A 69 6.921 12.805 -0.698 1.00 0.74 O ATOM 1037 CB GLN A 69 6.350 16.028 -1.643 1.00 1.07 C ATOM 1038 CG GLN A 69 5.343 17.159 -1.767 1.00 1.33 C ATOM 1039 CD GLN A 69 4.602 17.157 -3.091 1.00 2.12 C ATOM 1040 OE1 GLN A 69 5.130 16.732 -4.121 1.00 2.64 O ATOM 1041 NE2 GLN A 69 3.374 17.648 -3.075 1.00 2.89 N ATOM 0 H GLN A 69 5.078 14.894 0.291 1.00 0.87 H new ATOM 0 HA GLN A 69 5.157 14.527 -2.610 1.00 0.93 H new ATOM 0 HB2 GLN A 69 6.897 16.143 -0.707 1.00 1.07 H new ATOM 0 HB3 GLN A 69 7.078 16.112 -2.450 1.00 1.07 H new ATOM 0 HG2 GLN A 69 4.621 17.085 -0.954 1.00 1.33 H new ATOM 0 HG3 GLN A 69 5.860 18.111 -1.649 1.00 1.33 H new ATOM 0 HE21 GLN A 69 2.973 17.990 -2.202 1.00 2.89 H new ATOM 0 HE22 GLN A 69 2.828 17.685 -3.936 1.00 2.89 H new ATOM 1050 N HIS A 70 7.665 13.576 -2.677 1.00 0.84 N ATOM 1051 CA HIS A 70 8.755 12.607 -2.790 1.00 0.79 C ATOM 1052 C HIS A 70 9.669 12.690 -1.568 1.00 0.70 C ATOM 1053 O HIS A 70 10.061 11.669 -1.001 1.00 0.65 O ATOM 1054 CB HIS A 70 9.550 12.891 -4.076 1.00 0.88 C ATOM 1055 CG HIS A 70 10.497 11.803 -4.505 1.00 0.90 C ATOM 1056 ND1 HIS A 70 10.777 11.546 -5.831 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.238 10.920 -3.794 1.00 1.37 C ATOM 1058 CE1 HIS A 70 11.647 10.559 -5.913 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.947 10.161 -4.693 1.00 1.13 N ATOM 0 H HIS A 70 7.614 14.238 -3.451 1.00 0.84 H new ATOM 0 HA HIS A 70 8.342 11.599 -2.836 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.844 13.075 -4.886 1.00 0.88 H new ATOM 0 HB3 HIS A 70 10.119 13.810 -3.935 1.00 0.88 H new ATOM 0 HD2 HIS A 70 11.266 10.829 -2.718 1.00 1.37 H new ATOM 0 HE1 HIS A 70 12.047 10.146 -6.827 1.00 1.31 H new ATOM 0 HE2 HIS A 70 12.598 9.413 -4.455 1.00 1.13 H new ATOM 1068 N GLY A 71 9.971 13.914 -1.156 1.00 0.72 N ATOM 1069 CA GLY A 71 10.894 14.129 -0.057 1.00 0.69 C ATOM 1070 C GLY A 71 10.397 13.583 1.267 1.00 0.62 C ATOM 1071 O GLY A 71 11.171 13.018 2.041 1.00 0.62 O ATOM 0 H GLY A 71 9.591 14.767 -1.566 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.849 13.661 -0.298 1.00 0.69 H new ATOM 0 HA3 GLY A 71 11.080 15.198 0.047 1.00 0.69 H new ATOM 1075 N ASP A 72 9.103 13.730 1.524 1.00 0.61 N ATOM 1076 CA ASP A 72 8.538 13.346 2.811 1.00 0.58 C ATOM 1077 C ASP A 72 8.546 11.831 2.978 1.00 0.49 C ATOM 1078 O ASP A 72 8.865 11.320 4.053 1.00 0.44 O ATOM 1079 CB ASP A 72 7.113 13.882 2.960 1.00 0.68 C ATOM 1080 CG ASP A 72 6.626 13.806 4.392 1.00 1.16 C ATOM 1081 OD1 ASP A 72 7.157 14.537 5.251 1.00 1.47 O ATOM 1082 OD2 ASP A 72 5.711 12.999 4.665 1.00 2.03 O ATOM 0 H ASP A 72 8.428 14.111 0.861 1.00 0.61 H new ATOM 0 HA ASP A 72 9.160 13.785 3.592 1.00 0.58 H new ATOM 0 HB2 ASP A 72 7.077 14.917 2.619 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.442 13.312 2.318 1.00 0.68 H new ATOM 1087 N VAL A 73 8.221 11.119 1.902 1.00 0.50 N ATOM 1088 CA VAL A 73 8.191 9.661 1.928 1.00 0.45 C ATOM 1089 C VAL A 73 9.583 9.102 2.196 1.00 0.44 C ATOM 1090 O VAL A 73 9.761 8.236 3.055 1.00 0.43 O ATOM 1091 CB VAL A 73 7.660 9.081 0.599 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.577 7.562 0.666 1.00 1.08 C ATOM 1093 CG2 VAL A 73 6.304 9.677 0.256 1.00 0.97 C ATOM 0 H VAL A 73 7.975 11.529 1.001 1.00 0.50 H new ATOM 0 HA VAL A 73 7.516 9.367 2.732 1.00 0.45 H new ATOM 0 HB VAL A 73 8.361 9.349 -0.191 1.00 0.51 H new ATOM 0 HG11 VAL A 73 7.200 7.176 -0.281 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.569 7.151 0.857 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.902 7.270 1.471 1.00 1.08 H new ATOM 0 HG21 VAL A 73 5.948 9.255 -0.684 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.594 9.446 1.050 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.397 10.758 0.156 1.00 0.97 H new ATOM 1103 N VAL A 74 10.571 9.622 1.475 1.00 0.49 N ATOM 1104 CA VAL A 74 11.953 9.186 1.645 1.00 0.53 C ATOM 1105 C VAL A 74 12.459 9.514 3.050 1.00 0.51 C ATOM 1106 O VAL A 74 13.120 8.695 3.693 1.00 0.52 O ATOM 1107 CB VAL A 74 12.883 9.833 0.593 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.332 9.416 0.812 1.00 0.72 C ATOM 1109 CG2 VAL A 74 12.433 9.462 -0.811 1.00 0.70 C ATOM 0 H VAL A 74 10.441 10.345 0.768 1.00 0.49 H new ATOM 0 HA VAL A 74 11.970 8.105 1.504 1.00 0.53 H new ATOM 0 HB VAL A 74 12.821 10.915 0.708 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.964 9.886 0.058 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.655 9.731 1.804 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.415 8.332 0.731 1.00 0.72 H new ATOM 0 HG21 VAL A 74 13.098 9.925 -1.540 1.00 0.70 H new ATOM 0 HG22 VAL A 74 12.464 8.379 -0.929 1.00 0.70 H new ATOM 0 HG23 VAL A 74 11.415 9.816 -0.972 1.00 0.70 H new ATOM 1119 N SER A 75 12.128 10.707 3.527 1.00 0.51 N ATOM 1120 CA SER A 75 12.535 11.143 4.854 1.00 0.52 C ATOM 1121 C SER A 75 11.954 10.229 5.931 1.00 0.47 C ATOM 1122 O SER A 75 12.632 9.890 6.900 1.00 0.51 O ATOM 1123 CB SER A 75 12.093 12.591 5.092 1.00 0.58 C ATOM 1124 OG SER A 75 12.514 13.060 6.365 1.00 0.66 O ATOM 0 H SER A 75 11.576 11.392 3.011 1.00 0.51 H new ATOM 0 HA SER A 75 13.622 11.089 4.913 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.505 13.231 4.312 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.008 12.658 5.019 1.00 0.58 H new ATOM 0 HG SER A 75 12.218 13.986 6.486 1.00 0.66 H new ATOM 1130 N ALA A 76 10.704 9.820 5.745 1.00 0.42 N ATOM 1131 CA ALA A 76 10.022 8.980 6.721 1.00 0.39 C ATOM 1132 C ALA A 76 10.675 7.611 6.841 1.00 0.37 C ATOM 1133 O ALA A 76 10.812 7.081 7.942 1.00 0.39 O ATOM 1134 CB ALA A 76 8.561 8.829 6.359 1.00 0.39 C ATOM 0 H ALA A 76 10.143 10.057 4.927 1.00 0.42 H new ATOM 0 HA ALA A 76 10.102 9.474 7.690 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.066 8.199 7.098 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.087 9.810 6.343 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.476 8.369 5.375 1.00 0.39 H new ATOM 1140 N ILE A 77 11.071 7.040 5.709 1.00 0.37 N ATOM 1141 CA ILE A 77 11.760 5.755 5.708 1.00 0.39 C ATOM 1142 C ILE A 77 13.057 5.856 6.503 1.00 0.41 C ATOM 1143 O ILE A 77 13.360 5.007 7.339 1.00 0.44 O ATOM 1144 CB ILE A 77 12.069 5.292 4.270 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.773 5.198 3.461 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.793 3.951 4.283 1.00 0.50 C ATOM 1147 CD1 ILE A 77 10.994 5.030 1.976 1.00 0.69 C ATOM 0 H ILE A 77 10.928 7.445 4.784 1.00 0.37 H new ATOM 0 HA ILE A 77 11.103 5.020 6.174 1.00 0.39 H new ATOM 0 HB ILE A 77 12.723 6.025 3.798 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.186 4.357 3.829 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.183 6.098 3.632 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.003 3.641 3.259 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.730 4.049 4.832 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.165 3.203 4.767 1.00 0.50 H new ATOM 0 HD11 ILE A 77 10.031 4.971 1.469 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.554 5.883 1.593 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.557 4.115 1.793 1.00 0.69 H new ATOM 1159 N ARG A 78 13.800 6.932 6.257 1.00 0.43 N ATOM 1160 CA ARG A 78 15.050 7.182 6.961 1.00 0.50 C ATOM 1161 C ARG A 78 14.797 7.443 8.444 1.00 0.50 C ATOM 1162 O ARG A 78 15.620 7.109 9.297 1.00 0.56 O ATOM 1163 CB ARG A 78 15.777 8.377 6.341 1.00 0.58 C ATOM 1164 CG ARG A 78 16.195 8.164 4.893 1.00 0.66 C ATOM 1165 CD ARG A 78 16.954 9.365 4.358 1.00 0.89 C ATOM 1166 NE ARG A 78 18.131 9.664 5.172 1.00 1.59 N ATOM 1167 CZ ARG A 78 18.944 10.696 4.969 1.00 2.11 C ATOM 1168 NH1 ARG A 78 18.713 11.552 3.981 1.00 2.12 N ATOM 1169 NH2 ARG A 78 19.983 10.880 5.772 1.00 3.09 N ATOM 0 H ARG A 78 13.555 7.646 5.572 1.00 0.43 H new ATOM 0 HA ARG A 78 15.675 6.294 6.867 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.129 9.252 6.396 1.00 0.58 H new ATOM 0 HB3 ARG A 78 16.663 8.598 6.936 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.819 7.274 4.819 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.312 7.986 4.279 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.261 9.174 3.330 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.295 10.233 4.337 1.00 0.89 H new ATOM 0 HE ARG A 78 18.343 9.038 5.949 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.907 11.421 3.370 1.00 2.12 H new ATOM 0 HH12 ARG A 78 19.342 12.341 3.832 1.00 2.12 H new ATOM 0 HH21 ARG A 78 20.155 10.232 6.540 1.00 3.09 H new ATOM 0 HH22 ARG A 78 20.610 11.670 5.621 1.00 3.09 H new ATOM 1183 N ALA A 79 13.638 8.022 8.738 1.00 0.47 N ATOM 1184 CA ALA A 79 13.263 8.360 10.105 1.00 0.51 C ATOM 1185 C ALA A 79 12.855 7.120 10.890 1.00 0.43 C ATOM 1186 O ALA A 79 12.590 7.193 12.091 1.00 0.46 O ATOM 1187 CB ALA A 79 12.139 9.383 10.104 1.00 0.65 C ATOM 0 H ALA A 79 12.936 8.269 8.040 1.00 0.47 H new ATOM 0 HA ALA A 79 14.134 8.793 10.597 1.00 0.51 H new ATOM 0 HB1 ALA A 79 11.868 9.627 11.131 1.00 0.65 H new ATOM 0 HB2 ALA A 79 12.470 10.286 9.592 1.00 0.65 H new ATOM 0 HB3 ALA A 79 11.272 8.970 9.588 1.00 0.65 H new ATOM 1193 N GLY A 80 12.792 5.985 10.206 1.00 0.41 N ATOM 1194 CA GLY A 80 12.497 4.737 10.877 1.00 0.42 C ATOM 1195 C GLY A 80 13.684 4.244 11.678 1.00 0.46 C ATOM 1196 O GLY A 80 13.537 3.453 12.613 1.00 0.60 O ATOM 0 H GLY A 80 12.940 5.908 9.200 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.641 4.872 11.538 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.216 3.984 10.141 1.00 0.42 H new ATOM 1200 N GLY A 81 14.866 4.726 11.314 1.00 0.49 N ATOM 1201 CA GLY A 81 16.075 4.332 11.998 1.00 0.63 C ATOM 1202 C GLY A 81 16.848 3.297 11.222 1.00 0.64 C ATOM 1203 O GLY A 81 17.553 3.622 10.263 1.00 1.10 O ATOM 0 H GLY A 81 15.005 5.388 10.551 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.703 5.208 12.159 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.823 3.935 12.981 1.00 0.63 H new ATOM 1207 N ASP A 82 16.711 2.044 11.622 1.00 0.43 N ATOM 1208 CA ASP A 82 17.414 0.957 10.959 1.00 0.44 C ATOM 1209 C ASP A 82 16.431 -0.044 10.374 1.00 0.39 C ATOM 1210 O ASP A 82 16.728 -0.708 9.385 1.00 0.55 O ATOM 1211 CB ASP A 82 18.380 0.263 11.921 1.00 0.55 C ATOM 1212 CG ASP A 82 19.570 1.138 12.259 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.481 1.256 11.417 1.00 2.12 O ATOM 1214 OD2 ASP A 82 19.593 1.720 13.364 1.00 1.97 O ATOM 0 H ASP A 82 16.120 1.754 12.401 1.00 0.43 H new ATOM 0 HA ASP A 82 17.996 1.383 10.142 1.00 0.44 H new ATOM 0 HB2 ASP A 82 17.852 -0.001 12.837 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.730 -0.668 11.475 1.00 0.55 H new ATOM 1219 N GLU A 83 15.258 -0.138 10.977 1.00 0.38 N ATOM 1220 CA GLU A 83 14.197 -0.997 10.469 1.00 0.39 C ATOM 1221 C GLU A 83 12.983 -0.125 10.155 1.00 0.38 C ATOM 1222 O GLU A 83 12.676 0.799 10.908 1.00 0.53 O ATOM 1223 CB GLU A 83 13.829 -2.064 11.507 1.00 0.47 C ATOM 1224 CG GLU A 83 15.027 -2.568 12.296 1.00 0.86 C ATOM 1225 CD GLU A 83 14.657 -3.548 13.385 1.00 1.62 C ATOM 1226 OE1 GLU A 83 13.749 -3.242 14.182 1.00 2.00 O ATOM 1227 OE2 GLU A 83 15.286 -4.623 13.462 1.00 2.11 O ATOM 0 H GLU A 83 15.014 0.373 11.825 1.00 0.38 H new ATOM 0 HA GLU A 83 14.534 -1.508 9.567 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.094 -1.651 12.198 1.00 0.47 H new ATOM 0 HB3 GLU A 83 13.354 -2.905 11.002 1.00 0.47 H new ATOM 0 HG2 GLU A 83 15.729 -3.044 11.612 1.00 0.86 H new ATOM 0 HG3 GLU A 83 15.543 -1.718 12.742 1.00 0.86 H new ATOM 1234 N THR A 84 12.304 -0.403 9.056 1.00 0.27 N ATOM 1235 CA THR A 84 11.180 0.415 8.635 1.00 0.26 C ATOM 1236 C THR A 84 10.029 -0.454 8.137 1.00 0.22 C ATOM 1237 O THR A 84 10.244 -1.560 7.632 1.00 0.21 O ATOM 1238 CB THR A 84 11.596 1.427 7.538 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.514 2.323 7.249 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.024 0.720 6.260 1.00 0.30 C ATOM 0 H THR A 84 12.511 -1.188 8.439 1.00 0.27 H new ATOM 0 HA THR A 84 10.843 0.976 9.506 1.00 0.26 H new ATOM 0 HB THR A 84 12.446 1.992 7.920 1.00 0.30 H new ATOM 0 HG1 THR A 84 9.914 2.372 8.023 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.309 1.460 5.513 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.874 0.071 6.470 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.196 0.121 5.880 1.00 0.30 H new ATOM 1248 N LYS A 85 8.811 0.034 8.313 1.00 0.24 N ATOM 1249 CA LYS A 85 7.627 -0.686 7.881 1.00 0.23 C ATOM 1250 C LYS A 85 6.922 0.070 6.766 1.00 0.23 C ATOM 1251 O LYS A 85 6.519 1.221 6.938 1.00 0.26 O ATOM 1252 CB LYS A 85 6.669 -0.895 9.055 1.00 0.28 C ATOM 1253 CG LYS A 85 7.201 -1.837 10.118 1.00 0.37 C ATOM 1254 CD LYS A 85 6.244 -1.930 11.288 1.00 0.50 C ATOM 1255 CE LYS A 85 6.744 -2.894 12.350 1.00 0.78 C ATOM 1256 NZ LYS A 85 5.831 -2.955 13.523 1.00 1.63 N ATOM 0 H LYS A 85 8.618 0.932 8.755 1.00 0.24 H new ATOM 0 HA LYS A 85 7.939 -1.660 7.504 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.454 0.071 9.513 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.724 -1.286 8.676 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.353 -2.827 9.688 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.173 -1.487 10.465 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.111 -0.942 11.728 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.266 -2.255 10.933 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.845 -3.889 11.917 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.737 -2.587 12.679 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 6.210 -3.624 14.223 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 5.754 -2.011 13.953 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 4.890 -3.273 13.214 1.00 1.63 H new ATOM 1270 N LEU A 86 6.780 -0.576 5.625 1.00 0.22 N ATOM 1271 CA LEU A 86 6.100 0.022 4.495 1.00 0.22 C ATOM 1272 C LEU A 86 4.742 -0.629 4.306 1.00 0.22 C ATOM 1273 O LEU A 86 4.615 -1.850 4.388 1.00 0.27 O ATOM 1274 CB LEU A 86 6.929 -0.134 3.218 1.00 0.24 C ATOM 1275 CG LEU A 86 8.312 0.525 3.249 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.028 0.316 1.924 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.197 2.010 3.563 1.00 0.28 C ATOM 0 H LEU A 86 7.129 -1.520 5.457 1.00 0.22 H new ATOM 0 HA LEU A 86 5.969 1.085 4.696 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.056 -1.197 3.015 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.364 0.284 2.385 1.00 0.24 H new ATOM 0 HG LEU A 86 8.897 0.054 4.039 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.009 0.790 1.962 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.148 -0.752 1.740 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.441 0.760 1.120 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.191 2.456 3.580 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.593 2.498 2.798 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.724 2.141 4.536 1.00 0.28 H new ATOM 1289 N LEU A 87 3.734 0.185 4.072 1.00 0.20 N ATOM 1290 CA LEU A 87 2.402 -0.319 3.803 1.00 0.21 C ATOM 1291 C LEU A 87 2.113 -0.197 2.321 1.00 0.21 C ATOM 1292 O LEU A 87 2.116 0.905 1.773 1.00 0.26 O ATOM 1293 CB LEU A 87 1.349 0.456 4.593 1.00 0.27 C ATOM 1294 CG LEU A 87 -0.087 -0.037 4.398 1.00 0.39 C ATOM 1295 CD1 LEU A 87 -0.290 -1.377 5.085 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -1.079 0.988 4.912 1.00 0.45 C ATOM 0 H LEU A 87 3.811 1.202 4.063 1.00 0.20 H new ATOM 0 HA LEU A 87 2.359 -1.364 4.111 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.597 0.402 5.653 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.400 1.507 4.307 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.262 -0.172 3.331 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -1.317 -1.711 4.935 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.396 -2.111 4.661 1.00 0.51 H new ATOM 0 HD13 LEU A 87 -0.095 -1.272 6.152 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -2.094 0.618 4.764 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.907 1.160 5.974 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.951 1.923 4.367 1.00 0.45 H new ATOM 1308 N VAL A 88 1.864 -1.323 1.681 1.00 0.20 N ATOM 1309 CA VAL A 88 1.676 -1.352 0.244 1.00 0.23 C ATOM 1310 C VAL A 88 0.368 -2.043 -0.124 1.00 0.24 C ATOM 1311 O VAL A 88 -0.232 -2.739 0.698 1.00 0.27 O ATOM 1312 CB VAL A 88 2.855 -2.060 -0.455 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.123 -1.223 -0.348 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.084 -3.439 0.139 1.00 0.33 C ATOM 0 H VAL A 88 1.787 -2.233 2.136 1.00 0.20 H new ATOM 0 HA VAL A 88 1.634 -0.318 -0.100 1.00 0.23 H new ATOM 0 HB VAL A 88 2.603 -2.176 -1.509 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.943 -1.739 -0.847 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.961 -0.255 -0.823 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.373 -1.075 0.702 1.00 0.31 H new ATOM 0 HG21 VAL A 88 3.920 -3.920 -0.369 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.311 -3.345 1.201 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.186 -4.044 0.012 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.075 -1.831 -1.356 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.342 -2.373 -1.826 1.00 0.27 C ATOM 1326 C VAL A 89 -1.165 -3.135 -3.134 1.00 0.34 C ATOM 1327 O VAL A 89 -0.284 -2.817 -3.935 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.393 -1.256 -2.037 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.808 -0.646 -0.706 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -1.859 -0.178 -2.974 1.00 0.30 C ATOM 0 H VAL A 89 0.429 -1.283 -2.053 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.696 -3.056 -1.054 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.273 -1.705 -2.498 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.547 0.136 -0.879 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.240 -1.419 -0.070 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -1.935 -0.218 -0.214 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.615 0.596 -3.107 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -0.959 0.264 -2.545 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.620 -0.622 -3.941 1.00 0.30 H new ATOM 1340 N ASP A 90 -2.003 -4.145 -3.333 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.991 -4.930 -4.561 1.00 0.51 C ATOM 1342 C ASP A 90 -2.937 -4.320 -5.580 1.00 0.48 C ATOM 1343 O ASP A 90 -3.645 -3.367 -5.265 1.00 0.45 O ATOM 1344 CB ASP A 90 -2.395 -6.381 -4.284 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.365 -7.115 -3.455 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -0.330 -7.513 -4.015 1.00 1.86 O ATOM 1347 OD2 ASP A 90 -1.581 -7.294 -2.237 1.00 1.92 O ATOM 0 H ASP A 90 -2.704 -4.441 -2.654 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.977 -4.922 -4.960 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -3.354 -6.396 -3.765 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -2.536 -6.904 -5.230 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.968 -4.874 -6.788 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.798 -4.317 -7.858 1.00 0.61 C ATOM 1354 C ARG A 91 -5.268 -4.281 -7.449 1.00 0.55 C ATOM 1355 O ARG A 91 -5.932 -3.253 -7.575 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.663 -5.142 -9.137 1.00 0.75 C ATOM 1357 CG ARG A 91 -4.487 -4.590 -10.292 1.00 0.82 C ATOM 1358 CD ARG A 91 -4.867 -5.679 -11.281 1.00 1.44 C ATOM 1359 NE ARG A 91 -3.702 -6.301 -11.900 1.00 2.25 N ATOM 1360 CZ ARG A 91 -3.426 -7.603 -11.829 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -4.168 -8.406 -11.074 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -2.391 -8.094 -12.497 1.00 4.16 N ATOM 0 H ARG A 91 -2.434 -5.702 -7.052 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.449 -3.301 -8.041 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -2.614 -5.177 -9.431 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.972 -6.168 -8.935 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -5.390 -4.120 -9.903 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.920 -3.814 -10.805 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -5.453 -6.442 -10.769 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -5.504 -5.255 -12.057 1.00 1.44 H new ATOM 0 HE ARG A 91 -3.059 -5.703 -12.419 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -4.953 -8.027 -10.545 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -3.952 -9.402 -11.023 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -1.809 -7.476 -13.063 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -2.177 -9.090 -12.445 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.760 -5.405 -6.939 1.00 0.57 N ATOM 1377 CA GLU A 92 -7.157 -5.517 -6.538 1.00 0.61 C ATOM 1378 C GLU A 92 -7.453 -4.561 -5.394 1.00 0.51 C ATOM 1379 O GLU A 92 -8.496 -3.908 -5.363 1.00 0.56 O ATOM 1380 CB GLU A 92 -7.488 -6.953 -6.120 1.00 0.74 C ATOM 1381 CG GLU A 92 -7.575 -7.942 -7.275 1.00 1.44 C ATOM 1382 CD GLU A 92 -6.256 -8.134 -8.001 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -5.319 -8.708 -7.403 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -6.149 -7.714 -9.170 1.00 2.68 O ATOM 0 H GLU A 92 -5.211 -6.252 -6.794 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.780 -5.253 -7.392 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -6.728 -7.298 -5.419 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -8.438 -6.953 -5.586 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -7.916 -8.905 -6.895 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.326 -7.596 -7.985 1.00 1.44 H new ATOM 1391 N THR A 93 -6.515 -4.479 -4.465 1.00 0.44 N ATOM 1392 CA THR A 93 -6.627 -3.587 -3.329 1.00 0.38 C ATOM 1393 C THR A 93 -6.690 -2.134 -3.795 1.00 0.33 C ATOM 1394 O THR A 93 -7.592 -1.381 -3.426 1.00 0.37 O ATOM 1395 CB THR A 93 -5.403 -3.755 -2.416 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.090 -5.147 -2.264 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.645 -3.126 -1.058 1.00 0.36 C ATOM 0 H THR A 93 -5.656 -5.029 -4.479 1.00 0.44 H new ATOM 0 HA THR A 93 -7.539 -3.835 -2.787 1.00 0.38 H new ATOM 0 HB THR A 93 -4.559 -3.245 -2.882 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.940 -5.347 -1.316 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.762 -3.260 -0.433 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.845 -2.062 -1.180 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.502 -3.604 -0.583 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.727 -1.768 -4.631 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.598 -0.411 -5.143 1.00 0.39 C ATOM 1407 C ASP A 94 -6.843 0.024 -5.907 1.00 0.43 C ATOM 1408 O ASP A 94 -7.324 1.149 -5.746 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.372 -0.323 -6.051 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.316 0.974 -6.818 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.325 2.047 -6.183 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -4.235 0.929 -8.059 1.00 1.18 O ATOM 0 H ASP A 94 -5.010 -2.408 -4.974 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.480 0.262 -4.293 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.469 -0.425 -5.449 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.383 -1.157 -6.753 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.356 -0.865 -6.744 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.565 -0.585 -7.500 1.00 0.49 C ATOM 1419 C GLU A 95 -9.735 -0.316 -6.565 1.00 0.45 C ATOM 1420 O GLU A 95 -10.466 0.656 -6.749 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.897 -1.751 -8.433 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.960 -1.857 -9.622 1.00 0.72 C ATOM 1423 CD GLU A 95 -8.084 -0.669 -10.550 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -7.381 0.338 -10.326 1.00 1.94 O ATOM 1425 OE2 GLU A 95 -8.878 -0.736 -11.511 1.00 1.23 O ATOM 0 H GLU A 95 -6.953 -1.786 -6.916 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.389 0.307 -8.101 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.860 -2.682 -7.867 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.919 -1.638 -8.794 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.932 -1.934 -9.268 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -8.177 -2.772 -10.174 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.879 -1.161 -5.547 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.988 -1.063 -4.602 1.00 0.41 C ATOM 1434 C PHE A 96 -10.943 0.252 -3.827 1.00 0.36 C ATOM 1435 O PHE A 96 -11.949 0.950 -3.709 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.954 -2.250 -3.635 1.00 0.44 C ATOM 1437 CG PHE A 96 -12.036 -2.223 -2.592 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -13.370 -2.346 -2.950 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.718 -2.089 -1.249 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -14.364 -2.332 -1.989 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.708 -2.075 -0.286 1.00 0.62 C ATOM 1442 CZ PHE A 96 -14.033 -2.196 -0.657 1.00 0.72 C ATOM 0 H PHE A 96 -9.235 -1.928 -5.355 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.920 -1.085 -5.167 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -11.039 -3.174 -4.207 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.985 -2.272 -3.137 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -13.636 -2.454 -3.991 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.684 -1.994 -0.952 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -15.399 -2.428 -2.281 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.446 -1.970 0.756 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.808 -2.184 0.095 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.775 0.591 -3.308 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.614 1.818 -2.544 1.00 0.32 C ATOM 1454 C PHE A 97 -9.814 3.053 -3.416 1.00 0.39 C ATOM 1455 O PHE A 97 -10.450 4.014 -2.993 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.250 1.854 -1.855 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.211 1.054 -0.585 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.700 1.590 0.593 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.691 -0.228 -0.567 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.672 0.862 1.766 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.660 -0.961 0.602 1.00 0.40 C ATOM 1462 CZ PHE A 97 -8.150 -0.416 1.771 1.00 0.35 C ATOM 0 H PHE A 97 -8.925 0.035 -3.401 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.387 1.830 -1.776 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.493 1.473 -2.541 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -7.988 2.889 -1.634 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.109 2.590 0.595 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.305 -0.660 -1.478 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -9.058 1.292 2.678 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -7.252 -1.961 0.602 1.00 0.40 H new ATOM 0 HZ PHE A 97 -8.125 -0.987 2.687 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.299 3.022 -4.640 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.454 4.154 -5.550 1.00 0.53 C ATOM 1474 C LYS A 98 -10.910 4.358 -5.949 1.00 0.56 C ATOM 1475 O LYS A 98 -11.406 5.485 -5.944 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.596 3.991 -6.806 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.209 4.600 -6.672 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.580 4.874 -8.033 1.00 1.13 C ATOM 1479 CE LYS A 98 -5.691 3.732 -8.499 1.00 1.31 C ATOM 1480 NZ LYS A 98 -6.413 2.436 -8.560 1.00 1.92 N ATOM 0 H LYS A 98 -8.776 2.235 -5.023 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.113 5.036 -5.007 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -8.498 2.930 -7.035 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.108 4.454 -7.650 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.273 5.530 -6.107 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -6.568 3.925 -6.104 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -7.368 5.041 -8.768 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -5.993 5.791 -7.981 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -5.290 3.967 -9.485 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -4.841 3.639 -7.823 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -5.772 1.698 -8.915 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -6.744 2.178 -7.609 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -7.229 2.523 -9.199 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.599 3.272 -6.278 1.00 0.55 N ATOM 1495 CA LYS A 99 -12.982 3.358 -6.739 1.00 0.63 C ATOM 1496 C LYS A 99 -13.916 3.757 -5.601 1.00 0.63 C ATOM 1497 O LYS A 99 -14.971 4.343 -5.833 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.435 2.028 -7.345 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.437 0.877 -6.353 1.00 0.60 C ATOM 1500 CD LYS A 99 -13.896 -0.417 -6.993 1.00 0.76 C ATOM 1501 CE LYS A 99 -15.236 -0.258 -7.691 1.00 1.62 C ATOM 1502 NZ LYS A 99 -15.628 -1.489 -8.427 1.00 2.04 N ATOM 0 H LYS A 99 -11.226 2.324 -6.235 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.027 4.129 -7.509 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.439 2.147 -7.753 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -12.780 1.777 -8.179 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.434 0.746 -5.947 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.091 1.120 -5.516 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -13.149 -0.751 -7.713 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -13.973 -1.192 -6.230 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.002 -0.016 -6.955 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -15.186 0.580 -8.386 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -16.548 -1.339 -8.889 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -14.910 -1.706 -9.147 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -15.701 -2.284 -7.760 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.522 3.440 -4.375 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.333 3.771 -3.216 1.00 0.60 C ATOM 1518 C CYS A 100 -13.895 5.114 -2.624 1.00 0.61 C ATOM 1519 O CYS A 100 -14.503 5.629 -1.683 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.231 2.657 -2.165 1.00 0.60 C ATOM 1521 SG CYS A 100 -15.472 2.755 -0.855 1.00 1.39 S ATOM 0 H CYS A 100 -12.650 2.957 -4.160 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.374 3.859 -3.528 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -14.322 1.693 -2.665 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.239 2.689 -1.713 1.00 0.60 H new ATOM 0 HG CYS A 100 -15.698 4.002 -0.564 1.00 1.39 H new ATOM 1527 N ARG A 101 -12.834 5.677 -3.216 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.229 6.933 -2.763 1.00 0.65 C ATOM 1529 C ARG A 101 -11.766 6.823 -1.311 1.00 0.64 C ATOM 1530 O ARG A 101 -12.035 7.700 -0.492 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.193 8.118 -2.919 1.00 0.77 C ATOM 1532 CG ARG A 101 -13.676 8.354 -4.344 1.00 0.79 C ATOM 1533 CD ARG A 101 -15.103 7.864 -4.536 1.00 1.19 C ATOM 1534 NE ARG A 101 -16.018 8.503 -3.587 1.00 2.14 N ATOM 1535 CZ ARG A 101 -17.252 8.081 -3.329 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -17.777 7.075 -4.014 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -17.974 8.698 -2.399 1.00 4.09 N ATOM 0 H ARG A 101 -12.369 5.270 -4.028 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.362 7.118 -3.397 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.059 7.953 -2.278 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -12.699 9.022 -2.562 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -13.621 9.417 -4.577 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.016 7.840 -5.043 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -15.428 8.074 -5.555 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -15.139 6.782 -4.407 1.00 1.19 H new ATOM 0 HE ARG A 101 -15.685 9.329 -3.090 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -17.233 6.618 -4.746 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -18.725 6.758 -3.809 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -17.580 9.489 -1.889 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -18.922 8.380 -2.195 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.072 5.739 -1.003 1.00 0.55 N ATOM 1552 CA VAL A 102 -10.585 5.499 0.349 1.00 0.57 C ATOM 1553 C VAL A 102 -9.069 5.347 0.343 1.00 0.49 C ATOM 1554 O VAL A 102 -8.506 4.713 -0.547 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.210 4.223 0.961 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -10.763 4.030 2.401 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -12.725 4.268 0.876 1.00 1.42 C ATOM 0 H VAL A 102 -10.832 5.008 -1.673 1.00 0.55 H new ATOM 0 HA VAL A 102 -10.875 6.357 0.955 1.00 0.57 H new ATOM 0 HB VAL A 102 -10.858 3.370 0.380 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -11.218 3.126 2.805 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -9.678 3.937 2.436 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -11.073 4.889 2.996 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -13.141 3.360 1.313 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -13.094 5.136 1.422 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -13.029 4.341 -0.168 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.412 5.947 1.319 1.00 0.54 N ATOM 1568 CA ILE A 103 -6.976 5.782 1.475 1.00 0.50 C ATOM 1569 C ILE A 103 -6.682 4.569 2.361 1.00 0.43 C ATOM 1570 O ILE A 103 -7.205 4.459 3.472 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.320 7.045 2.083 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -6.534 8.248 1.159 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -4.834 6.814 2.327 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -5.881 9.520 1.654 1.00 1.33 C ATOM 0 H ILE A 103 -8.848 6.552 2.015 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.550 5.625 0.484 1.00 0.50 H new ATOM 0 HB ILE A 103 -6.793 7.254 3.043 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -6.142 8.010 0.170 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.604 8.421 1.044 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.391 7.714 2.755 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -4.704 5.982 3.019 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.342 6.581 1.383 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -6.076 10.327 0.948 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -6.291 9.784 2.629 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -4.805 9.366 1.742 1.00 1.33 H new ATOM 1586 N PRO A 104 -5.863 3.627 1.862 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.466 2.432 2.617 1.00 0.37 C ATOM 1588 C PRO A 104 -4.693 2.785 3.884 1.00 0.37 C ATOM 1589 O PRO A 104 -4.056 3.835 3.959 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.569 1.660 1.642 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.884 2.217 0.295 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.263 3.651 0.520 1.00 0.44 C ATOM 0 HA PRO A 104 -6.331 1.861 2.954 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.515 1.794 1.887 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -4.773 0.590 1.683 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.024 2.140 -0.370 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.700 1.667 -0.174 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.395 4.309 0.477 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -5.969 4.005 -0.232 1.00 0.44 H new ATOM 1600 N SER A 105 -4.742 1.905 4.874 1.00 0.32 N ATOM 1601 CA SER A 105 -4.115 2.182 6.154 1.00 0.34 C ATOM 1602 C SER A 105 -3.947 0.907 6.971 1.00 0.34 C ATOM 1603 O SER A 105 -4.539 -0.128 6.641 1.00 0.33 O ATOM 1604 CB SER A 105 -4.952 3.198 6.933 1.00 0.43 C ATOM 1605 OG SER A 105 -6.289 2.745 7.087 1.00 1.42 O ATOM 0 H SER A 105 -5.207 0.999 4.814 1.00 0.32 H new ATOM 0 HA SER A 105 -3.124 2.596 5.967 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.506 3.366 7.913 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.946 4.155 6.412 1.00 0.43 H new ATOM 0 HG SER A 105 -6.709 3.214 7.838 1.00 1.42 H new ATOM 1611 N GLN A 106 -3.155 0.997 8.034 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.921 -0.121 8.949 1.00 0.43 C ATOM 1613 C GLN A 106 -4.231 -0.638 9.545 1.00 0.45 C ATOM 1614 O GLN A 106 -4.353 -1.818 9.867 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.975 0.303 10.072 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.587 0.697 9.595 1.00 0.68 C ATOM 1617 CD GLN A 106 0.295 1.202 10.722 1.00 0.96 C ATOM 1618 OE1 GLN A 106 1.514 1.032 10.696 1.00 1.66 O ATOM 1619 NE2 GLN A 106 -0.314 1.837 11.714 1.00 1.42 N ATOM 0 H GLN A 106 -2.655 1.849 8.288 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.465 -0.928 8.376 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.416 1.144 10.607 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.884 -0.516 10.785 1.00 0.52 H new ATOM 0 HG2 GLN A 106 -0.111 -0.163 9.123 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.675 1.471 8.832 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -1.327 1.957 11.697 1.00 1.42 H new ATOM 0 HE22 GLN A 106 0.230 2.206 12.494 1.00 1.42 H new ATOM 1628 N GLU A 107 -5.207 0.255 9.678 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.516 -0.091 10.235 1.00 0.51 C ATOM 1630 C GLU A 107 -7.170 -1.198 9.414 1.00 0.42 C ATOM 1631 O GLU A 107 -7.858 -2.070 9.942 1.00 0.49 O ATOM 1632 CB GLU A 107 -7.422 1.138 10.204 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.758 2.404 10.712 1.00 1.41 C ATOM 1634 CD GLU A 107 -7.491 3.650 10.269 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -7.230 4.126 9.143 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -8.332 4.159 11.036 1.00 2.63 O ATOM 0 H GLU A 107 -5.117 1.234 9.405 1.00 0.46 H new ATOM 0 HA GLU A 107 -6.376 -0.435 11.260 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -7.760 1.302 9.181 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -8.309 0.938 10.805 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -6.715 2.378 11.801 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -5.730 2.442 10.353 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.913 -1.159 8.117 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.515 -2.087 7.173 1.00 0.37 C ATOM 1645 C HIS A 108 -6.859 -3.464 7.261 1.00 0.46 C ATOM 1646 O HIS A 108 -7.382 -4.450 6.741 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.425 -1.512 5.757 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.344 -0.344 5.547 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.962 0.970 5.732 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.645 -0.300 5.178 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -8.988 1.763 5.488 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -10.025 1.020 5.150 1.00 0.52 N ATOM 0 H HIS A 108 -6.281 -0.483 7.688 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.567 -2.218 7.427 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.399 -1.202 5.560 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.666 -2.293 5.036 1.00 0.38 H new ATOM 0 HD1 HIS A 108 -7.032 1.279 6.013 1.00 0.52 H new ATOM 0 HD2 HIS A 108 -10.271 -1.149 4.947 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -8.980 2.841 5.554 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.705 -3.518 7.915 1.00 0.52 N ATOM 1662 CA LEU A 109 -5.006 -4.779 8.129 1.00 0.70 C ATOM 1663 C LEU A 109 -5.709 -5.613 9.194 1.00 0.79 C ATOM 1664 O LEU A 109 -5.716 -6.841 9.132 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.564 -4.521 8.567 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.703 -3.758 7.566 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.349 -3.431 8.175 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -2.531 -4.566 6.294 1.00 0.67 C ATOM 0 H LEU A 109 -5.233 -2.703 8.306 1.00 0.52 H new ATOM 0 HA LEU A 109 -5.009 -5.326 7.186 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.581 -3.965 9.504 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -3.088 -5.480 8.774 1.00 0.96 H new ATOM 0 HG LEU A 109 -3.205 -2.823 7.316 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.745 -2.886 7.449 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.489 -2.817 9.064 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.840 -4.355 8.449 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.914 -4.008 5.589 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -2.047 -5.514 6.528 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -3.508 -4.757 5.849 1.00 0.67 H new ATOM 1680 N ASN A 110 -6.310 -4.930 10.163 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.905 -5.593 11.320 1.00 1.67 C ATOM 1682 C ASN A 110 -8.160 -6.374 10.944 1.00 1.44 C ATOM 1683 O ASN A 110 -8.413 -7.452 11.487 1.00 1.77 O ATOM 1684 CB ASN A 110 -7.230 -4.569 12.409 1.00 2.17 C ATOM 1685 CG ASN A 110 -7.843 -5.207 13.645 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -9.064 -5.328 13.757 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -7.002 -5.627 14.579 1.00 3.35 N ATOM 0 H ASN A 110 -6.398 -3.914 10.170 1.00 1.37 H new ATOM 0 HA ASN A 110 -6.173 -6.305 11.701 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -6.319 -4.042 12.691 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -7.918 -3.825 12.009 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -7.360 -6.068 15.426 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -5.997 -5.509 14.451 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.946 -5.842 10.018 1.00 1.12 N ATOM 1695 CA GLY A 111 -10.160 -6.531 9.629 1.00 1.12 C ATOM 1696 C GLY A 111 -11.003 -5.769 8.625 1.00 0.87 C ATOM 1697 O GLY A 111 -10.937 -6.045 7.429 1.00 0.93 O ATOM 0 H GLY A 111 -8.769 -4.961 9.536 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -9.897 -7.501 9.206 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -10.758 -6.724 10.520 1.00 1.12 H new ATOM 1701 N PRO A 112 -11.796 -4.795 9.089 1.00 0.86 N ATOM 1702 CA PRO A 112 -12.843 -4.155 8.280 1.00 0.93 C ATOM 1703 C PRO A 112 -12.317 -3.321 7.113 1.00 0.89 C ATOM 1704 O PRO A 112 -11.394 -2.512 7.262 1.00 1.31 O ATOM 1705 CB PRO A 112 -13.580 -3.255 9.283 1.00 1.25 C ATOM 1706 CG PRO A 112 -13.146 -3.733 10.627 1.00 1.30 C ATOM 1707 CD PRO A 112 -11.746 -4.228 10.441 1.00 1.10 C ATOM 0 HA PRO A 112 -13.468 -4.910 7.803 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -13.322 -2.206 9.135 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -14.661 -3.337 9.166 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -13.184 -2.928 11.361 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -13.798 -4.527 10.991 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -11.016 -3.423 10.518 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -11.476 -4.976 11.187 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.924 -3.539 5.954 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.696 -2.715 4.778 1.00 0.58 C ATOM 1717 C LEU A 113 -13.791 -1.650 4.699 1.00 0.69 C ATOM 1718 O LEU A 113 -14.772 -1.733 5.438 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.712 -3.582 3.509 1.00 0.58 C ATOM 1720 CG LEU A 113 -11.556 -4.579 3.372 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -11.644 -5.317 2.047 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -10.216 -3.869 3.503 1.00 1.05 C ATOM 0 H LEU A 113 -13.591 -4.296 5.804 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.720 -2.235 4.854 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -13.651 -4.136 3.481 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.704 -2.923 2.641 1.00 0.58 H new ATOM 0 HG LEU A 113 -11.635 -5.309 4.178 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -10.815 -6.021 1.967 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -12.588 -5.860 1.995 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -11.592 -4.600 1.227 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.409 -4.594 3.403 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.126 -3.115 2.721 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -10.153 -3.388 4.479 1.00 1.05 H new