USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 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 -33:sc= 0.691 USER MOD Set 1.2: A 108 HIS : no HD1:sc= 0.812 K(o=1.5,f=-3.3!) USER MOD Set 2.1: A 99 LYS NZ :NH3+ -125:sc= 0.0234 (180deg=-0.177) USER MOD Set 2.2: A 100 CYS SG : rot 92:sc= 0.898 USER MOD Set 3.1: A 61 ASN : amide:sc= 1.47 K(o=2.7,f=-2.9!) USER MOD Set 3.2: A 84 THR OG1 : rot 30:sc= 1.21 USER MOD Set 4.1: A 15 MET CE :methyl -124:sc= -3.01! (180deg=-3.27!) USER MOD Set 4.2: A 49 SER OG : rot -43:sc= -1.26! USER MOD Set 5.1: A 28 SER OG : rot -165:sc= 0.556 USER MOD Set 5.2: A 35 GLN : amide:sc= -0.327 K(o=0.58,f=-1.9!) USER MOD Set 5.3: A 70 HIS : no HE2:sc= 0.348 K(o=0.58,f=-0.33) USER MOD Single : A 13 CYS SG : rot 140:sc= -0.202 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= 1.15 (180deg=-0.0267) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0.762 (180deg=0.762) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 25 ASN : amide:sc= 0.154 K(o=0.15,f=-5.9!) USER MOD Single : A 27 HIS : no HD1:sc= -2.31! X(o=-2.3!,f=-2.3) USER MOD Single : A 39 SER OG : rot -16:sc= -0.158 USER MOD Single : A 44 SER OG : rot -110:sc= 1.54 USER MOD Single : A 54 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.16) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -158:sc= -1.34 (180deg=-2.78!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.027) 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 180:sc=-0.00792 USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.0111 (180deg=-0.164) USER MOD Single : A 106 GLN : amide:sc= -1.38! C(o=-1.4!,f=-1.9!) USER MOD Single : A 110 ASN : amide:sc= 0.511 K(o=0.51,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 8 -7.278 -7.890 -2.029 1.00 0.80 N ATOM 107 CA LEU A 8 -7.772 -6.514 -1.996 1.00 0.56 C ATOM 108 C LEU A 8 -7.415 -5.831 -0.681 1.00 0.48 C ATOM 109 O LEU A 8 -8.182 -5.028 -0.150 1.00 0.47 O ATOM 110 CB LEU A 8 -9.281 -6.476 -2.191 1.00 0.47 C ATOM 111 CG LEU A 8 -9.793 -7.199 -3.427 1.00 0.56 C ATOM 112 CD1 LEU A 8 -11.250 -6.891 -3.631 1.00 0.61 C ATOM 113 CD2 LEU A 8 -9.019 -6.793 -4.657 1.00 0.72 C ATOM 0 HA LEU A 8 -7.291 -5.977 -2.813 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -9.756 -6.912 -1.312 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.599 -5.435 -2.241 1.00 0.47 H new ATOM 0 HG LEU A 8 -9.658 -8.269 -3.271 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.611 -7.412 -4.518 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.817 -7.221 -2.760 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -11.380 -5.817 -3.763 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -9.408 -7.326 -5.524 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -9.123 -5.719 -4.815 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.966 -7.039 -4.522 1.00 0.72 H new ATOM 125 N ARG A 9 -6.241 -6.142 -0.167 1.00 0.52 N ATOM 126 CA ARG A 9 -5.820 -5.626 1.117 1.00 0.51 C ATOM 127 C ARG A 9 -4.363 -5.207 1.055 1.00 0.43 C ATOM 128 O ARG A 9 -3.551 -5.848 0.387 1.00 0.47 O ATOM 129 CB ARG A 9 -6.046 -6.682 2.204 1.00 0.69 C ATOM 130 CG ARG A 9 -5.301 -7.987 1.966 1.00 1.15 C ATOM 131 CD ARG A 9 -5.880 -9.110 2.809 1.00 1.21 C ATOM 132 NE ARG A 9 -7.266 -9.408 2.425 1.00 1.84 N ATOM 133 CZ ARG A 9 -8.076 -10.239 3.087 1.00 2.23 C ATOM 134 NH1 ARG A 9 -7.647 -10.896 4.157 1.00 2.21 N ATOM 135 NH2 ARG A 9 -9.319 -10.425 2.654 1.00 3.09 N ATOM 0 H ARG A 9 -5.561 -6.751 -0.622 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.415 -4.748 1.367 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -5.738 -6.270 3.165 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.113 -6.893 2.275 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -5.358 -8.254 0.911 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.246 -7.856 2.205 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -5.269 -10.005 2.695 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -5.844 -8.832 3.862 1.00 1.21 H new ATOM 0 HE ARG A 9 -7.637 -8.948 1.594 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -6.689 -10.769 4.483 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -8.275 -11.528 4.654 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -9.648 -9.935 1.822 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -9.944 -11.058 3.154 1.00 3.09 H new ATOM 149 N PRO A 10 -4.024 -4.098 1.725 1.00 0.36 N ATOM 150 CA PRO A 10 -2.656 -3.595 1.769 1.00 0.30 C ATOM 151 C PRO A 10 -1.735 -4.546 2.511 1.00 0.28 C ATOM 152 O PRO A 10 -2.185 -5.394 3.284 1.00 0.38 O ATOM 153 CB PRO A 10 -2.774 -2.268 2.526 1.00 0.29 C ATOM 154 CG PRO A 10 -4.043 -2.366 3.292 1.00 0.47 C ATOM 155 CD PRO A 10 -4.949 -3.252 2.489 1.00 0.40 C ATOM 0 HA PRO A 10 -2.229 -3.485 0.772 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.924 -2.117 3.191 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.794 -1.423 1.838 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.868 -2.784 4.283 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.488 -1.381 3.435 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.598 -3.847 3.131 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.596 -2.672 1.831 1.00 0.40 H new ATOM 163 N ARG A 11 -0.451 -4.399 2.274 1.00 0.29 N ATOM 164 CA ARG A 11 0.541 -5.224 2.930 1.00 0.34 C ATOM 165 C ARG A 11 1.583 -4.354 3.622 1.00 0.27 C ATOM 166 O ARG A 11 2.092 -3.394 3.038 1.00 0.27 O ATOM 167 CB ARG A 11 1.198 -6.164 1.915 1.00 0.49 C ATOM 168 CG ARG A 11 1.849 -5.448 0.743 1.00 0.63 C ATOM 169 CD ARG A 11 2.159 -6.405 -0.393 1.00 1.00 C ATOM 170 NE ARG A 11 0.941 -6.897 -1.046 1.00 1.22 N ATOM 171 CZ ARG A 11 0.434 -8.116 -0.869 1.00 1.59 C ATOM 172 NH1 ARG A 11 1.007 -8.957 -0.016 1.00 1.95 N ATOM 173 NH2 ARG A 11 -0.650 -8.482 -1.536 1.00 2.37 N ATOM 0 H ARG A 11 -0.066 -3.711 1.627 1.00 0.29 H new ATOM 0 HA ARG A 11 0.049 -5.830 3.691 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.951 -6.764 2.425 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.445 -6.854 1.534 1.00 0.49 H new ATOM 0 HG2 ARG A 11 1.188 -4.659 0.385 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.769 -4.966 1.075 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.787 -5.903 -1.129 1.00 1.00 H new ATOM 0 HD3 ARG A 11 2.731 -7.250 -0.009 1.00 1.00 H new ATOM 0 HE ARG A 11 0.450 -6.264 -1.677 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.836 -8.670 0.504 1.00 1.95 H new ATOM 0 HH12 ARG A 11 0.618 -9.890 0.119 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -1.095 -7.831 -2.183 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -1.040 -9.415 -1.402 1.00 2.37 H new ATOM 187 N LEU A 12 1.874 -4.675 4.873 1.00 0.29 N ATOM 188 CA LEU A 12 2.853 -3.925 5.643 1.00 0.26 C ATOM 189 C LEU A 12 4.186 -4.645 5.617 1.00 0.25 C ATOM 190 O LEU A 12 4.332 -5.729 6.183 1.00 0.32 O ATOM 191 CB LEU A 12 2.383 -3.744 7.088 1.00 0.34 C ATOM 192 CG LEU A 12 3.352 -2.988 8.003 1.00 0.60 C ATOM 193 CD1 LEU A 12 3.594 -1.579 7.485 1.00 1.32 C ATOM 194 CD2 LEU A 12 2.815 -2.945 9.425 1.00 1.28 C ATOM 0 H LEU A 12 1.445 -5.451 5.377 1.00 0.29 H new ATOM 0 HA LEU A 12 2.967 -2.938 5.194 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.430 -3.215 7.079 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.197 -4.728 7.518 1.00 0.34 H new ATOM 0 HG LEU A 12 4.304 -3.519 8.006 1.00 0.60 H new ATOM 0 HD11 LEU A 12 4.285 -1.061 8.150 1.00 1.32 H new ATOM 0 HD12 LEU A 12 4.022 -1.628 6.484 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.649 -1.037 7.450 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.515 -2.405 10.062 1.00 1.28 H new ATOM 0 HD22 LEU A 12 1.850 -2.438 9.434 1.00 1.28 H new ATOM 0 HD23 LEU A 12 2.694 -3.962 9.799 1.00 1.28 H new ATOM 206 N CYS A 13 5.148 -4.048 4.950 1.00 0.23 N ATOM 207 CA CYS A 13 6.466 -4.629 4.837 1.00 0.25 C ATOM 208 C CYS A 13 7.407 -3.996 5.852 1.00 0.22 C ATOM 209 O CYS A 13 7.674 -2.799 5.798 1.00 0.24 O ATOM 210 CB CYS A 13 6.988 -4.410 3.419 1.00 0.29 C ATOM 211 SG CYS A 13 5.800 -4.864 2.134 1.00 0.40 S ATOM 0 H CYS A 13 5.040 -3.152 4.474 1.00 0.23 H new ATOM 0 HA CYS A 13 6.413 -5.698 5.041 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.259 -3.361 3.298 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.899 -4.992 3.282 1.00 0.29 H new ATOM 0 HG CYS A 13 5.844 -3.989 1.173 1.00 0.40 H new ATOM 217 N THR A 14 7.911 -4.797 6.775 1.00 0.23 N ATOM 218 CA THR A 14 8.846 -4.298 7.767 1.00 0.24 C ATOM 219 C THR A 14 10.244 -4.760 7.389 1.00 0.22 C ATOM 220 O THR A 14 10.511 -5.961 7.332 1.00 0.25 O ATOM 221 CB THR A 14 8.500 -4.814 9.177 1.00 0.31 C ATOM 222 OG1 THR A 14 7.111 -4.586 9.452 1.00 0.35 O ATOM 223 CG2 THR A 14 9.348 -4.116 10.231 1.00 0.35 C ATOM 0 H THR A 14 7.690 -5.789 6.858 1.00 0.23 H new ATOM 0 HA THR A 14 8.789 -3.210 7.786 1.00 0.24 H new ATOM 0 HB THR A 14 8.710 -5.883 9.212 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.896 -4.918 10.349 1.00 0.35 H new ATOM 0 HG21 THR A 14 9.087 -4.496 11.219 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.403 -4.309 10.036 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.163 -3.042 10.195 1.00 0.35 H new ATOM 231 N MET A 15 11.130 -3.820 7.134 1.00 0.20 N ATOM 232 CA MET A 15 12.448 -4.152 6.623 1.00 0.19 C ATOM 233 C MET A 15 13.537 -3.447 7.421 1.00 0.21 C ATOM 234 O MET A 15 13.445 -2.254 7.705 1.00 0.21 O ATOM 235 CB MET A 15 12.538 -3.795 5.135 1.00 0.21 C ATOM 236 CG MET A 15 12.146 -2.360 4.833 1.00 0.24 C ATOM 237 SD MET A 15 12.171 -1.968 3.075 1.00 0.88 S ATOM 238 CE MET A 15 10.728 -2.863 2.503 1.00 0.28 C ATOM 0 H MET A 15 10.965 -2.823 7.271 1.00 0.20 H new ATOM 0 HA MET A 15 12.604 -5.225 6.733 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.558 -3.965 4.789 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.893 -4.467 4.568 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.146 -2.174 5.225 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.825 -1.687 5.358 1.00 0.24 H new ATOM 0 HE1 MET A 15 11.017 -3.547 1.705 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.300 -3.430 3.330 1.00 0.28 H new ATOM 0 HE3 MET A 15 9.988 -2.157 2.125 1.00 0.28 H new ATOM 248 N LYS A 16 14.560 -4.204 7.785 1.00 0.29 N ATOM 249 CA LYS A 16 15.664 -3.690 8.580 1.00 0.37 C ATOM 250 C LYS A 16 16.887 -3.501 7.682 1.00 0.40 C ATOM 251 O LYS A 16 17.106 -4.282 6.759 1.00 0.48 O ATOM 252 CB LYS A 16 15.945 -4.671 9.728 1.00 0.50 C ATOM 253 CG LYS A 16 16.744 -4.098 10.892 1.00 0.90 C ATOM 254 CD LYS A 16 18.239 -4.076 10.625 1.00 1.09 C ATOM 255 CE LYS A 16 18.991 -3.522 11.820 1.00 1.96 C ATOM 256 NZ LYS A 16 20.461 -3.523 11.607 1.00 2.58 N ATOM 0 H LYS A 16 14.648 -5.190 7.538 1.00 0.29 H new ATOM 0 HA LYS A 16 15.414 -2.721 9.011 1.00 0.37 H new ATOM 0 HB2 LYS A 16 14.993 -5.041 10.109 1.00 0.50 H new ATOM 0 HB3 LYS A 16 16.483 -5.530 9.327 1.00 0.50 H new ATOM 0 HG2 LYS A 16 16.401 -3.084 11.098 1.00 0.90 H new ATOM 0 HG3 LYS A 16 16.548 -4.688 11.787 1.00 0.90 H new ATOM 0 HD2 LYS A 16 18.589 -5.085 10.405 1.00 1.09 H new ATOM 0 HD3 LYS A 16 18.447 -3.468 9.745 1.00 1.09 H new ATOM 0 HE2 LYS A 16 18.655 -2.504 12.019 1.00 1.96 H new ATOM 0 HE3 LYS A 16 18.753 -4.114 12.703 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 20.939 -3.806 12.486 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 20.702 -4.195 10.850 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 20.773 -2.569 11.335 1.00 2.58 H new ATOM 270 N LYS A 17 17.657 -2.450 7.943 1.00 0.41 N ATOM 271 CA LYS A 17 18.800 -2.102 7.108 1.00 0.50 C ATOM 272 C LYS A 17 19.873 -3.184 7.156 1.00 0.60 C ATOM 273 O LYS A 17 20.436 -3.476 8.213 1.00 0.67 O ATOM 274 CB LYS A 17 19.382 -0.764 7.564 1.00 0.51 C ATOM 275 CG LYS A 17 19.476 0.273 6.455 1.00 0.52 C ATOM 276 CD LYS A 17 19.852 1.642 7.000 1.00 0.53 C ATOM 277 CE LYS A 17 18.775 2.172 7.933 1.00 0.62 C ATOM 278 NZ LYS A 17 19.188 3.426 8.616 1.00 0.92 N ATOM 0 H LYS A 17 17.508 -1.821 8.732 1.00 0.41 H new ATOM 0 HA LYS A 17 18.457 -2.018 6.077 1.00 0.50 H new ATOM 0 HB2 LYS A 17 18.766 -0.366 8.370 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.377 -0.933 7.977 1.00 0.51 H new ATOM 0 HG2 LYS A 17 20.218 -0.044 5.722 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.521 0.338 5.934 1.00 0.52 H new ATOM 0 HD2 LYS A 17 20.800 1.577 7.533 1.00 0.53 H new ATOM 0 HD3 LYS A 17 19.998 2.339 6.174 1.00 0.53 H new ATOM 0 HE2 LYS A 17 17.863 2.354 7.365 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.540 1.414 8.680 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 18.422 3.749 9.241 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.044 3.249 9.180 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 19.387 4.159 7.905 1.00 0.92 H new ATOM 292 N GLY A 18 20.135 -3.782 6.004 1.00 0.68 N ATOM 293 CA GLY A 18 21.159 -4.798 5.906 1.00 0.85 C ATOM 294 C GLY A 18 22.487 -4.220 5.457 1.00 1.05 C ATOM 295 O GLY A 18 22.999 -3.290 6.079 1.00 1.28 O ATOM 0 H GLY A 18 19.652 -3.579 5.129 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.283 -5.283 6.874 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.841 -5.567 5.202 1.00 0.85 H new ATOM 299 N PRO A 19 23.061 -4.744 4.365 1.00 1.24 N ATOM 300 CA PRO A 19 24.378 -4.320 3.880 1.00 1.57 C ATOM 301 C PRO A 19 24.413 -2.858 3.429 1.00 1.57 C ATOM 302 O PRO A 19 25.058 -2.022 4.061 1.00 2.23 O ATOM 303 CB PRO A 19 24.650 -5.252 2.695 1.00 1.91 C ATOM 304 CG PRO A 19 23.313 -5.764 2.282 1.00 1.86 C ATOM 305 CD PRO A 19 22.477 -5.805 3.528 1.00 1.40 C ATOM 0 HA PRO A 19 25.126 -4.382 4.670 1.00 1.57 H new ATOM 0 HB2 PRO A 19 25.136 -4.718 1.878 1.00 1.91 H new ATOM 0 HB3 PRO A 19 25.313 -6.069 2.981 1.00 1.91 H new ATOM 0 HG2 PRO A 19 22.862 -5.114 1.532 1.00 1.86 H new ATOM 0 HG3 PRO A 19 23.396 -6.755 1.836 1.00 1.86 H new ATOM 0 HD2 PRO A 19 21.426 -5.614 3.313 1.00 1.40 H new ATOM 0 HD3 PRO A 19 22.531 -6.778 4.017 1.00 1.40 H new ATOM 313 N SER A 20 23.714 -2.551 2.343 1.00 1.40 N ATOM 314 CA SER A 20 23.739 -1.207 1.778 1.00 1.65 C ATOM 315 C SER A 20 22.338 -0.606 1.732 1.00 1.43 C ATOM 316 O SER A 20 21.997 0.144 0.816 1.00 1.93 O ATOM 317 CB SER A 20 24.344 -1.244 0.374 1.00 2.14 C ATOM 318 OG SER A 20 25.651 -1.795 0.399 1.00 2.87 O ATOM 0 H SER A 20 23.125 -3.212 1.837 1.00 1.40 H new ATOM 0 HA SER A 20 24.356 -0.577 2.418 1.00 1.65 H new ATOM 0 HB2 SER A 20 23.708 -1.836 -0.284 1.00 2.14 H new ATOM 0 HB3 SER A 20 24.378 -0.235 -0.038 1.00 2.14 H new ATOM 0 HG SER A 20 26.017 -1.810 -0.510 1.00 2.87 H new ATOM 324 N GLY A 21 21.530 -0.930 2.727 1.00 1.04 N ATOM 325 CA GLY A 21 20.175 -0.425 2.768 1.00 0.94 C ATOM 326 C GLY A 21 19.165 -1.531 2.959 1.00 0.97 C ATOM 327 O GLY A 21 19.412 -2.476 3.704 1.00 1.93 O ATOM 0 H GLY A 21 21.788 -1.534 3.508 1.00 1.04 H new ATOM 0 HA2 GLY A 21 20.081 0.296 3.580 1.00 0.94 H new ATOM 0 HA3 GLY A 21 19.958 0.108 1.842 1.00 0.94 H new ATOM 331 N TYR A 22 18.033 -1.425 2.286 1.00 0.74 N ATOM 332 CA TYR A 22 16.987 -2.423 2.416 1.00 0.70 C ATOM 333 C TYR A 22 16.919 -3.274 1.156 1.00 0.89 C ATOM 334 O TYR A 22 16.633 -4.469 1.210 1.00 1.82 O ATOM 335 CB TYR A 22 15.641 -1.750 2.676 1.00 0.64 C ATOM 336 CG TYR A 22 15.678 -0.717 3.786 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.695 -1.104 5.120 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.694 0.641 3.498 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.726 -0.167 6.136 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.725 1.585 4.509 1.00 0.54 C ATOM 341 CZ TYR A 22 15.751 1.182 5.820 1.00 0.46 C ATOM 342 OH TYR A 22 15.769 2.113 6.836 1.00 0.59 O ATOM 0 H TYR A 22 17.815 -0.661 1.646 1.00 0.74 H new ATOM 0 HA TYR A 22 17.220 -3.068 3.263 1.00 0.70 H new ATOM 0 HB2 TYR A 22 15.301 -1.271 1.758 1.00 0.64 H new ATOM 0 HB3 TYR A 22 14.906 -2.514 2.928 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.684 -2.155 5.368 1.00 0.47 H new ATOM 0 HD2 TYR A 22 15.682 0.966 2.468 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.731 -0.484 7.168 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.729 2.637 4.266 1.00 0.54 H new ATOM 0 HH TYR A 22 15.787 3.015 6.453 1.00 0.59 H new ATOM 352 N GLY A 23 17.191 -2.632 0.026 1.00 0.43 N ATOM 353 CA GLY A 23 17.286 -3.326 -1.246 1.00 0.42 C ATOM 354 C GLY A 23 16.008 -3.249 -2.057 1.00 0.39 C ATOM 355 O GLY A 23 15.331 -4.255 -2.263 1.00 0.39 O ATOM 0 H GLY A 23 17.350 -1.626 -0.032 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.105 -2.900 -1.826 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.533 -4.372 -1.066 1.00 0.42 H new ATOM 359 N PHE A 24 15.690 -2.055 -2.530 1.00 0.37 N ATOM 360 CA PHE A 24 14.536 -1.847 -3.391 1.00 0.36 C ATOM 361 C PHE A 24 14.729 -0.583 -4.215 1.00 0.38 C ATOM 362 O PHE A 24 15.491 0.309 -3.831 1.00 0.40 O ATOM 363 CB PHE A 24 13.240 -1.757 -2.573 1.00 0.34 C ATOM 364 CG PHE A 24 13.187 -0.596 -1.616 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.758 -0.687 -0.356 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.559 0.587 -1.976 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.705 0.375 0.523 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.500 1.652 -1.099 1.00 0.36 C ATOM 369 CZ PHE A 24 13.076 1.546 0.151 1.00 0.36 C ATOM 0 H PHE A 24 16.220 -1.207 -2.330 1.00 0.37 H new ATOM 0 HA PHE A 24 14.449 -2.703 -4.060 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.396 -1.685 -3.259 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.115 -2.682 -2.010 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.251 -1.601 -0.059 1.00 0.33 H new ATOM 0 HD2 PHE A 24 12.111 0.676 -2.954 1.00 0.34 H new ATOM 0 HE1 PHE A 24 14.155 0.290 1.501 1.00 0.35 H new ATOM 0 HE2 PHE A 24 12.004 2.566 -1.390 1.00 0.36 H new ATOM 0 HZ PHE A 24 13.035 2.379 0.837 1.00 0.36 H new ATOM 379 N ASN A 25 14.043 -0.508 -5.341 1.00 0.43 N ATOM 380 CA ASN A 25 14.131 0.652 -6.209 1.00 0.46 C ATOM 381 C ASN A 25 12.758 1.299 -6.362 1.00 0.42 C ATOM 382 O ASN A 25 11.750 0.610 -6.528 1.00 0.39 O ATOM 383 CB ASN A 25 14.688 0.247 -7.573 1.00 0.51 C ATOM 384 CG ASN A 25 15.050 1.440 -8.431 1.00 1.23 C ATOM 385 OD1 ASN A 25 14.233 1.938 -9.205 1.00 2.18 O ATOM 386 ND2 ASN A 25 16.284 1.894 -8.311 1.00 1.65 N ATOM 0 H ASN A 25 13.417 -1.240 -5.677 1.00 0.43 H new ATOM 0 HA ASN A 25 14.808 1.379 -5.760 1.00 0.46 H new ATOM 0 HB2 ASN A 25 15.572 -0.375 -7.430 1.00 0.51 H new ATOM 0 HB3 ASN A 25 13.951 -0.362 -8.096 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.592 2.688 -8.873 1.00 1.65 H new ATOM 0 HD22 ASN A 25 16.929 1.451 -7.657 1.00 1.65 H new ATOM 393 N LEU A 26 12.729 2.620 -6.311 1.00 0.50 N ATOM 394 CA LEU A 26 11.480 3.368 -6.308 1.00 0.52 C ATOM 395 C LEU A 26 11.161 3.961 -7.674 1.00 0.55 C ATOM 396 O LEU A 26 12.049 4.215 -8.487 1.00 0.73 O ATOM 397 CB LEU A 26 11.528 4.489 -5.267 1.00 0.69 C ATOM 398 CG LEU A 26 11.396 4.041 -3.812 1.00 0.87 C ATOM 399 CD1 LEU A 26 11.551 5.228 -2.876 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.053 3.363 -3.588 1.00 1.48 C ATOM 0 H LEU A 26 13.565 3.203 -6.271 1.00 0.50 H new ATOM 0 HA LEU A 26 10.690 2.661 -6.054 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.470 5.026 -5.380 1.00 0.69 H new ATOM 0 HB3 LEU A 26 10.729 5.198 -5.485 1.00 0.69 H new ATOM 0 HG LEU A 26 12.188 3.324 -3.597 1.00 0.87 H new ATOM 0 HD11 LEU A 26 11.454 4.892 -1.844 1.00 1.52 H new ATOM 0 HD12 LEU A 26 12.533 5.680 -3.020 1.00 1.52 H new ATOM 0 HD13 LEU A 26 10.777 5.965 -3.092 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.973 3.049 -2.547 1.00 1.48 H new ATOM 0 HD22 LEU A 26 9.249 4.062 -3.819 1.00 1.48 H new ATOM 0 HD23 LEU A 26 9.973 2.491 -4.237 1.00 1.48 H new ATOM 412 N HIS A 27 9.876 4.166 -7.908 1.00 0.56 N ATOM 413 CA HIS A 27 9.399 4.860 -9.090 1.00 0.67 C ATOM 414 C HIS A 27 8.941 6.245 -8.678 1.00 0.68 C ATOM 415 O HIS A 27 8.080 6.394 -7.810 1.00 0.95 O ATOM 416 CB HIS A 27 8.210 4.128 -9.731 1.00 1.23 C ATOM 417 CG HIS A 27 8.538 3.320 -10.950 1.00 0.70 C ATOM 418 ND1 HIS A 27 9.135 3.850 -12.070 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.319 2.013 -11.228 1.00 0.81 C ATOM 420 CE1 HIS A 27 9.270 2.907 -12.985 1.00 1.30 C ATOM 421 NE2 HIS A 27 8.783 1.784 -12.497 1.00 1.34 N ATOM 0 H HIS A 27 9.133 3.855 -7.282 1.00 0.56 H new ATOM 0 HA HIS A 27 10.210 4.904 -9.816 1.00 0.67 H new ATOM 0 HB2 HIS A 27 7.766 3.468 -8.986 1.00 1.23 H new ATOM 0 HB3 HIS A 27 7.451 4.864 -9.996 1.00 1.23 H new ATOM 0 HD2 HIS A 27 7.863 1.286 -10.572 1.00 0.81 H new ATOM 0 HE1 HIS A 27 9.705 3.035 -13.965 1.00 1.30 H new ATOM 0 HE2 HIS A 27 8.756 0.889 -12.985 1.00 1.34 H new ATOM 430 N SER A 28 9.547 7.247 -9.278 1.00 0.75 N ATOM 431 CA SER A 28 9.203 8.629 -9.007 1.00 1.14 C ATOM 432 C SER A 28 9.094 9.376 -10.324 1.00 1.03 C ATOM 433 O SER A 28 10.065 9.952 -10.817 1.00 1.34 O ATOM 434 CB SER A 28 10.252 9.269 -8.095 1.00 1.74 C ATOM 435 OG SER A 28 10.349 8.558 -6.870 1.00 2.30 O ATOM 0 H SER A 28 10.291 7.129 -9.966 1.00 0.75 H new ATOM 0 HA SER A 28 8.244 8.677 -8.490 1.00 1.14 H new ATOM 0 HB2 SER A 28 11.221 9.277 -8.595 1.00 1.74 H new ATOM 0 HB3 SER A 28 9.986 10.308 -7.899 1.00 1.74 H new ATOM 0 HG SER A 28 10.835 9.100 -6.215 1.00 2.30 H new ATOM 529 N GLN A 35 4.622 7.491 -5.340 1.00 0.74 N ATOM 530 CA GLN A 35 5.750 6.587 -5.219 1.00 0.59 C ATOM 531 C GLN A 35 5.314 5.153 -5.469 1.00 0.52 C ATOM 532 O GLN A 35 4.374 4.651 -4.846 1.00 0.58 O ATOM 533 CB GLN A 35 6.406 6.716 -3.841 1.00 0.58 C ATOM 534 CG GLN A 35 7.423 7.847 -3.732 1.00 0.82 C ATOM 535 CD GLN A 35 6.858 9.214 -4.075 1.00 0.75 C ATOM 536 OE1 GLN A 35 6.336 9.921 -3.215 1.00 1.50 O ATOM 537 NE2 GLN A 35 6.980 9.607 -5.333 1.00 0.78 N ATOM 0 HA GLN A 35 6.487 6.861 -5.974 1.00 0.59 H new ATOM 0 HB2 GLN A 35 5.627 6.871 -3.094 1.00 0.58 H new ATOM 0 HB3 GLN A 35 6.899 5.775 -3.597 1.00 0.58 H new ATOM 0 HG2 GLN A 35 7.818 7.872 -2.716 1.00 0.82 H new ATOM 0 HG3 GLN A 35 8.262 7.634 -4.395 1.00 0.82 H new ATOM 0 HE21 GLN A 35 7.419 8.993 -6.019 1.00 0.78 H new ATOM 0 HE22 GLN A 35 6.635 10.524 -5.617 1.00 0.78 H new ATOM 546 N PHE A 36 6.011 4.504 -6.384 1.00 0.47 N ATOM 547 CA PHE A 36 5.728 3.124 -6.742 1.00 0.43 C ATOM 548 C PHE A 36 6.990 2.297 -6.569 1.00 0.39 C ATOM 549 O PHE A 36 8.091 2.841 -6.562 1.00 0.45 O ATOM 550 CB PHE A 36 5.259 3.020 -8.199 1.00 0.48 C ATOM 551 CG PHE A 36 4.141 3.954 -8.566 1.00 0.58 C ATOM 552 CD1 PHE A 36 2.824 3.633 -8.280 1.00 0.68 C ATOM 553 CD2 PHE A 36 4.410 5.153 -9.208 1.00 0.70 C ATOM 554 CE1 PHE A 36 1.797 4.492 -8.620 1.00 0.81 C ATOM 555 CE2 PHE A 36 3.387 6.016 -9.551 1.00 0.83 C ATOM 556 CZ PHE A 36 2.078 5.684 -9.259 1.00 0.87 C ATOM 0 H PHE A 36 6.788 4.917 -6.900 1.00 0.47 H new ATOM 0 HA PHE A 36 4.935 2.753 -6.093 1.00 0.43 H new ATOM 0 HB2 PHE A 36 6.108 3.215 -8.855 1.00 0.48 H new ATOM 0 HB3 PHE A 36 4.937 1.996 -8.391 1.00 0.48 H new ATOM 0 HD1 PHE A 36 2.598 2.700 -7.785 1.00 0.68 H new ATOM 0 HD2 PHE A 36 5.431 5.415 -9.443 1.00 0.70 H new ATOM 0 HE1 PHE A 36 0.775 4.232 -8.386 1.00 0.81 H new ATOM 0 HE2 PHE A 36 3.610 6.949 -10.047 1.00 0.83 H new ATOM 0 HZ PHE A 36 1.276 6.355 -9.530 1.00 0.87 H new ATOM 566 N ILE A 37 6.839 1.000 -6.412 1.00 0.36 N ATOM 567 CA ILE A 37 7.989 0.114 -6.338 1.00 0.33 C ATOM 568 C ILE A 37 8.389 -0.318 -7.745 1.00 0.33 C ATOM 569 O ILE A 37 7.643 -1.026 -8.424 1.00 0.38 O ATOM 570 CB ILE A 37 7.691 -1.133 -5.476 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.124 -0.719 -4.113 1.00 0.39 C ATOM 572 CG2 ILE A 37 8.950 -1.977 -5.297 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.055 0.157 -3.301 1.00 0.38 C ATOM 0 H ILE A 37 5.936 0.533 -6.333 1.00 0.36 H new ATOM 0 HA ILE A 37 8.807 0.659 -5.867 1.00 0.33 H new ATOM 0 HB ILE A 37 6.945 -1.737 -5.992 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.184 -0.188 -4.267 1.00 0.39 H new ATOM 0 HG13 ILE A 37 6.893 -1.616 -3.539 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.719 -2.850 -4.687 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.312 -2.301 -6.273 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.719 -1.383 -4.803 1.00 0.33 H new ATOM 0 HD11 ILE A 37 7.583 0.407 -2.351 1.00 0.38 H new ATOM 0 HD12 ILE A 37 8.986 -0.377 -3.114 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.267 1.073 -3.853 1.00 0.38 H new ATOM 585 N ARG A 38 9.560 0.140 -8.186 1.00 0.34 N ATOM 586 CA ARG A 38 10.065 -0.190 -9.514 1.00 0.41 C ATOM 587 C ARG A 38 10.435 -1.661 -9.553 1.00 0.40 C ATOM 588 O ARG A 38 9.942 -2.417 -10.384 1.00 0.49 O ATOM 589 CB ARG A 38 11.283 0.689 -9.862 1.00 0.50 C ATOM 590 CG ARG A 38 11.722 0.621 -11.325 1.00 0.67 C ATOM 591 CD ARG A 38 12.694 -0.521 -11.597 1.00 1.24 C ATOM 592 NE ARG A 38 14.019 -0.275 -11.019 1.00 1.56 N ATOM 593 CZ ARG A 38 15.005 -1.179 -10.998 1.00 2.17 C ATOM 594 NH1 ARG A 38 14.814 -2.389 -11.508 1.00 2.83 N ATOM 595 NH2 ARG A 38 16.185 -0.869 -10.473 1.00 2.62 N ATOM 0 H ARG A 38 10.176 0.742 -7.640 1.00 0.34 H new ATOM 0 HA ARG A 38 9.291 0.005 -10.256 1.00 0.41 H new ATOM 0 HB2 ARG A 38 11.049 1.725 -9.615 1.00 0.50 H new ATOM 0 HB3 ARG A 38 12.121 0.392 -9.231 1.00 0.50 H new ATOM 0 HG2 ARG A 38 10.843 0.502 -11.958 1.00 0.67 H new ATOM 0 HG3 ARG A 38 12.190 1.565 -11.603 1.00 0.67 H new ATOM 0 HD2 ARG A 38 12.288 -1.446 -11.188 1.00 1.24 H new ATOM 0 HD3 ARG A 38 12.791 -0.664 -12.673 1.00 1.24 H new ATOM 0 HE ARG A 38 14.200 0.641 -10.608 1.00 1.56 H new ATOM 0 HH11 ARG A 38 13.913 -2.633 -11.918 1.00 2.83 H new ATOM 0 HH12 ARG A 38 15.569 -3.075 -11.490 1.00 2.83 H new ATOM 0 HH21 ARG A 38 16.342 0.061 -10.084 1.00 2.62 H new ATOM 0 HH22 ARG A 38 16.934 -1.561 -10.459 1.00 2.62 H new ATOM 609 N SER A 39 11.298 -2.051 -8.632 1.00 0.36 N ATOM 610 CA SER A 39 11.717 -3.432 -8.483 1.00 0.40 C ATOM 611 C SER A 39 12.355 -3.596 -7.118 1.00 0.32 C ATOM 612 O SER A 39 13.015 -2.679 -6.631 1.00 0.37 O ATOM 613 CB SER A 39 12.721 -3.830 -9.573 1.00 0.54 C ATOM 614 OG SER A 39 12.178 -3.654 -10.872 1.00 1.26 O ATOM 0 H SER A 39 11.730 -1.414 -7.963 1.00 0.36 H new ATOM 0 HA SER A 39 10.846 -4.079 -8.580 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.626 -3.230 -9.472 1.00 0.54 H new ATOM 0 HB3 SER A 39 13.012 -4.872 -9.438 1.00 0.54 H new ATOM 0 HG SER A 39 11.205 -3.558 -10.809 1.00 1.26 H new ATOM 620 N VAL A 40 12.139 -4.732 -6.491 1.00 0.36 N ATOM 621 CA VAL A 40 12.798 -5.020 -5.236 1.00 0.30 C ATOM 622 C VAL A 40 14.004 -5.912 -5.501 1.00 0.31 C ATOM 623 O VAL A 40 13.880 -6.972 -6.117 1.00 0.37 O ATOM 624 CB VAL A 40 11.838 -5.672 -4.208 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.178 -6.920 -4.773 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.569 -5.992 -2.916 1.00 0.32 C ATOM 0 H VAL A 40 11.516 -5.467 -6.827 1.00 0.36 H new ATOM 0 HA VAL A 40 13.128 -4.079 -4.795 1.00 0.30 H new ATOM 0 HB VAL A 40 11.051 -4.950 -3.991 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.512 -7.350 -4.025 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.604 -6.657 -5.662 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.944 -7.648 -5.038 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.876 -6.449 -2.209 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.386 -6.684 -3.122 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.971 -5.073 -2.488 1.00 0.32 H new ATOM 636 N ASP A 41 15.173 -5.445 -5.090 1.00 0.35 N ATOM 637 CA ASP A 41 16.410 -6.188 -5.292 1.00 0.45 C ATOM 638 C ASP A 41 16.336 -7.510 -4.544 1.00 0.48 C ATOM 639 O ASP A 41 16.248 -7.528 -3.321 1.00 0.51 O ATOM 640 CB ASP A 41 17.618 -5.369 -4.820 1.00 0.54 C ATOM 641 CG ASP A 41 17.831 -4.113 -5.645 1.00 1.27 C ATOM 642 OD1 ASP A 41 18.488 -4.192 -6.704 1.00 1.32 O ATOM 643 OD2 ASP A 41 17.348 -3.036 -5.233 1.00 2.28 O ATOM 0 H ASP A 41 15.292 -4.552 -4.613 1.00 0.35 H new ATOM 0 HA ASP A 41 16.535 -6.386 -6.357 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.479 -5.093 -3.775 1.00 0.54 H new ATOM 0 HB3 ASP A 41 18.514 -5.988 -4.870 1.00 0.54 H new ATOM 648 N PRO A 42 16.349 -8.633 -5.279 1.00 0.58 N ATOM 649 CA PRO A 42 16.158 -9.965 -4.699 1.00 0.69 C ATOM 650 C PRO A 42 17.183 -10.298 -3.622 1.00 0.69 C ATOM 651 O PRO A 42 18.320 -9.811 -3.652 1.00 1.17 O ATOM 652 CB PRO A 42 16.307 -10.914 -5.897 1.00 0.84 C ATOM 653 CG PRO A 42 16.988 -10.115 -6.952 1.00 0.93 C ATOM 654 CD PRO A 42 16.558 -8.693 -6.732 1.00 0.69 C ATOM 0 HA PRO A 42 15.194 -10.043 -4.197 1.00 0.69 H new ATOM 0 HB2 PRO A 42 16.893 -11.794 -5.631 1.00 0.84 H new ATOM 0 HB3 PRO A 42 15.335 -11.270 -6.239 1.00 0.84 H new ATOM 0 HG2 PRO A 42 18.071 -10.212 -6.877 1.00 0.93 H new ATOM 0 HG3 PRO A 42 16.705 -10.459 -7.947 1.00 0.93 H new ATOM 0 HD2 PRO A 42 17.320 -7.986 -7.060 1.00 0.69 H new ATOM 0 HD3 PRO A 42 15.646 -8.457 -7.281 1.00 0.69 H new ATOM 662 N ASP A 43 16.757 -11.136 -2.678 1.00 0.75 N ATOM 663 CA ASP A 43 17.600 -11.583 -1.571 1.00 0.87 C ATOM 664 C ASP A 43 17.926 -10.418 -0.652 1.00 0.70 C ATOM 665 O ASP A 43 19.079 -10.205 -0.282 1.00 0.86 O ATOM 666 CB ASP A 43 18.896 -12.238 -2.071 1.00 1.14 C ATOM 667 CG ASP A 43 18.652 -13.323 -3.099 1.00 1.69 C ATOM 668 OD1 ASP A 43 17.776 -14.183 -2.872 1.00 1.92 O ATOM 669 OD2 ASP A 43 19.330 -13.311 -4.151 1.00 2.40 O ATOM 0 H ASP A 43 15.814 -11.525 -2.660 1.00 0.75 H new ATOM 0 HA ASP A 43 17.040 -12.335 -1.015 1.00 0.87 H new ATOM 0 HB2 ASP A 43 19.540 -11.473 -2.504 1.00 1.14 H new ATOM 0 HB3 ASP A 43 19.433 -12.663 -1.223 1.00 1.14 H new ATOM 674 N SER A 44 16.902 -9.659 -0.293 1.00 0.57 N ATOM 675 CA SER A 44 17.077 -8.500 0.561 1.00 0.48 C ATOM 676 C SER A 44 16.030 -8.485 1.666 1.00 0.40 C ATOM 677 O SER A 44 14.998 -9.152 1.558 1.00 0.39 O ATOM 678 CB SER A 44 16.956 -7.227 -0.271 1.00 0.47 C ATOM 679 OG SER A 44 15.660 -7.125 -0.839 1.00 0.46 O ATOM 0 H SER A 44 15.939 -9.828 -0.582 1.00 0.57 H new ATOM 0 HA SER A 44 18.066 -8.550 1.016 1.00 0.48 H new ATOM 0 HB2 SER A 44 17.155 -6.357 0.354 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.707 -7.230 -1.061 1.00 0.47 H new ATOM 0 HG SER A 44 15.716 -7.258 -1.808 1.00 0.46 H new ATOM 685 N PRO A 45 16.279 -7.728 2.747 1.00 0.43 N ATOM 686 CA PRO A 45 15.283 -7.502 3.792 1.00 0.45 C ATOM 687 C PRO A 45 14.011 -6.869 3.225 1.00 0.38 C ATOM 688 O PRO A 45 12.916 -7.077 3.746 1.00 0.39 O ATOM 689 CB PRO A 45 15.976 -6.543 4.770 1.00 0.57 C ATOM 690 CG PRO A 45 17.146 -5.994 4.026 1.00 0.65 C ATOM 691 CD PRO A 45 17.553 -7.056 3.047 1.00 0.52 C ATOM 0 HA PRO A 45 14.966 -8.432 4.264 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.301 -5.747 5.083 1.00 0.57 H new ATOM 0 HB3 PRO A 45 16.294 -7.065 5.673 1.00 0.57 H new ATOM 0 HG2 PRO A 45 16.882 -5.070 3.511 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.964 -5.757 4.706 1.00 0.65 H new ATOM 0 HD2 PRO A 45 18.006 -6.629 2.152 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.282 -7.744 3.476 1.00 0.52 H new ATOM 699 N ALA A 46 14.163 -6.110 2.142 1.00 0.35 N ATOM 700 CA ALA A 46 13.027 -5.495 1.474 1.00 0.33 C ATOM 701 C ALA A 46 12.146 -6.560 0.836 1.00 0.30 C ATOM 702 O ALA A 46 10.924 -6.532 0.971 1.00 0.31 O ATOM 703 CB ALA A 46 13.494 -4.497 0.431 1.00 0.36 C ATOM 0 H ALA A 46 15.065 -5.908 1.711 1.00 0.35 H new ATOM 0 HA ALA A 46 12.439 -4.960 2.220 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.628 -4.049 -0.057 1.00 0.36 H new ATOM 0 HB2 ALA A 46 14.084 -3.717 0.912 1.00 0.36 H new ATOM 0 HB3 ALA A 46 14.106 -5.008 -0.313 1.00 0.36 H new ATOM 709 N GLU A 47 12.765 -7.511 0.153 1.00 0.31 N ATOM 710 CA GLU A 47 12.020 -8.606 -0.449 1.00 0.33 C ATOM 711 C GLU A 47 11.424 -9.496 0.639 1.00 0.34 C ATOM 712 O GLU A 47 10.269 -9.910 0.556 1.00 0.40 O ATOM 713 CB GLU A 47 12.922 -9.421 -1.379 1.00 0.40 C ATOM 714 CG GLU A 47 12.245 -10.645 -1.977 1.00 0.53 C ATOM 715 CD GLU A 47 13.151 -11.419 -2.913 1.00 1.12 C ATOM 716 OE1 GLU A 47 14.173 -11.961 -2.444 1.00 2.01 O ATOM 717 OE2 GLU A 47 12.865 -11.462 -4.131 1.00 1.51 O ATOM 0 H GLU A 47 13.773 -7.547 0.002 1.00 0.31 H new ATOM 0 HA GLU A 47 11.206 -8.191 -1.043 1.00 0.33 H new ATOM 0 HB2 GLU A 47 13.269 -8.778 -2.188 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.805 -9.740 -0.825 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.916 -11.302 -1.172 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.352 -10.332 -2.519 1.00 0.53 H new ATOM 724 N ALA A 48 12.214 -9.753 1.677 1.00 0.34 N ATOM 725 CA ALA A 48 11.787 -10.600 2.787 1.00 0.38 C ATOM 726 C ALA A 48 10.629 -9.978 3.569 1.00 0.37 C ATOM 727 O ALA A 48 9.813 -10.691 4.153 1.00 0.47 O ATOM 728 CB ALA A 48 12.962 -10.874 3.713 1.00 0.44 C ATOM 0 H ALA A 48 13.160 -9.384 1.773 1.00 0.34 H new ATOM 0 HA ALA A 48 11.428 -11.540 2.368 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.635 -11.506 4.538 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.752 -11.381 3.158 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.342 -9.931 4.107 1.00 0.44 H new ATOM 734 N SER A 49 10.559 -8.648 3.577 1.00 0.31 N ATOM 735 CA SER A 49 9.498 -7.942 4.280 1.00 0.32 C ATOM 736 C SER A 49 8.160 -8.128 3.561 1.00 0.35 C ATOM 737 O SER A 49 7.092 -7.889 4.132 1.00 0.40 O ATOM 738 CB SER A 49 9.851 -6.454 4.394 1.00 0.32 C ATOM 739 OG SER A 49 9.759 -5.799 3.145 1.00 0.31 O ATOM 0 H SER A 49 11.227 -8.040 3.103 1.00 0.31 H new ATOM 0 HA SER A 49 9.401 -8.357 5.283 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.181 -5.974 5.107 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.862 -6.349 4.787 1.00 0.32 H new ATOM 0 HG SER A 49 10.162 -6.361 2.451 1.00 0.31 H new ATOM 745 N GLY A 50 8.226 -8.566 2.307 1.00 0.36 N ATOM 746 CA GLY A 50 7.019 -8.817 1.546 1.00 0.43 C ATOM 747 C GLY A 50 6.729 -7.737 0.524 1.00 0.43 C ATOM 748 O GLY A 50 5.617 -7.652 0.009 1.00 0.62 O ATOM 0 H GLY A 50 9.095 -8.751 1.806 1.00 0.36 H new ATOM 0 HA2 GLY A 50 7.110 -9.776 1.037 1.00 0.43 H new ATOM 0 HA3 GLY A 50 6.175 -8.898 2.231 1.00 0.43 H new ATOM 752 N LEU A 51 7.724 -6.909 0.233 1.00 0.41 N ATOM 753 CA LEU A 51 7.570 -5.846 -0.755 1.00 0.40 C ATOM 754 C LEU A 51 7.517 -6.439 -2.159 1.00 0.48 C ATOM 755 O LEU A 51 8.137 -7.470 -2.427 1.00 0.65 O ATOM 756 CB LEU A 51 8.729 -4.851 -0.643 1.00 0.38 C ATOM 757 CG LEU A 51 8.574 -3.567 -1.461 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.363 -2.778 -0.986 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.835 -2.721 -1.362 1.00 0.37 C ATOM 0 H LEU A 51 8.646 -6.952 0.666 1.00 0.41 H new ATOM 0 HA LEU A 51 6.636 -5.318 -0.563 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.853 -4.581 0.406 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.646 -5.351 -0.954 1.00 0.38 H new ATOM 0 HG LEU A 51 8.420 -3.837 -2.506 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.267 -1.868 -1.578 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.465 -3.384 -1.104 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.489 -2.516 0.065 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.710 -1.811 -1.949 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.016 -2.458 -0.320 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.684 -3.287 -1.746 1.00 0.37 H new ATOM 771 N ARG A 52 6.770 -5.803 -3.050 1.00 0.53 N ATOM 772 CA ARG A 52 6.626 -6.297 -4.410 1.00 0.65 C ATOM 773 C ARG A 52 6.626 -5.130 -5.390 1.00 0.55 C ATOM 774 O ARG A 52 6.355 -3.992 -5.012 1.00 0.61 O ATOM 775 CB ARG A 52 5.329 -7.109 -4.518 1.00 0.86 C ATOM 776 CG ARG A 52 5.304 -8.120 -5.658 1.00 1.23 C ATOM 777 CD ARG A 52 6.497 -9.071 -5.607 1.00 2.05 C ATOM 778 NE ARG A 52 6.947 -9.330 -4.236 1.00 2.59 N ATOM 779 CZ ARG A 52 7.483 -10.477 -3.815 1.00 3.57 C ATOM 780 NH1 ARG A 52 7.551 -11.528 -4.625 1.00 4.13 N ATOM 781 NH2 ARG A 52 7.937 -10.571 -2.569 1.00 4.38 N ATOM 0 H ARG A 52 6.255 -4.944 -2.855 1.00 0.53 H new ATOM 0 HA ARG A 52 7.466 -6.945 -4.660 1.00 0.65 H new ATOM 0 HB2 ARG A 52 5.168 -7.637 -3.578 1.00 0.86 H new ATOM 0 HB3 ARG A 52 4.494 -6.420 -4.643 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.380 -8.696 -5.611 1.00 1.23 H new ATOM 0 HG3 ARG A 52 5.303 -7.591 -6.611 1.00 1.23 H new ATOM 0 HD2 ARG A 52 6.227 -10.014 -6.082 1.00 2.05 H new ATOM 0 HD3 ARG A 52 7.320 -8.648 -6.183 1.00 2.05 H new ATOM 0 HE ARG A 52 6.843 -8.579 -3.554 1.00 2.59 H new ATOM 0 HH11 ARG A 52 7.192 -11.462 -5.577 1.00 4.13 H new ATOM 0 HH12 ARG A 52 7.962 -12.401 -4.294 1.00 4.13 H new ATOM 0 HH21 ARG A 52 7.874 -9.769 -1.942 1.00 4.38 H new ATOM 0 HH22 ARG A 52 8.348 -11.445 -2.241 1.00 4.38 H new ATOM 795 N ALA A 53 6.960 -5.411 -6.642 1.00 0.53 N ATOM 796 CA ALA A 53 7.037 -4.378 -7.664 1.00 0.54 C ATOM 797 C ALA A 53 5.652 -4.035 -8.192 1.00 0.61 C ATOM 798 O ALA A 53 4.742 -4.863 -8.126 1.00 1.44 O ATOM 799 CB ALA A 53 7.944 -4.826 -8.800 1.00 0.68 C ATOM 0 H ALA A 53 7.183 -6.349 -6.974 1.00 0.53 H new ATOM 0 HA ALA A 53 7.460 -3.480 -7.213 1.00 0.54 H new ATOM 0 HB1 ALA A 53 7.992 -4.044 -9.557 1.00 0.68 H new ATOM 0 HB2 ALA A 53 8.945 -5.018 -8.413 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.546 -5.738 -9.245 1.00 0.68 H new ATOM 805 N GLN A 54 5.513 -2.812 -8.714 1.00 0.65 N ATOM 806 CA GLN A 54 4.252 -2.311 -9.276 1.00 0.74 C ATOM 807 C GLN A 54 3.250 -1.947 -8.186 1.00 0.59 C ATOM 808 O GLN A 54 2.093 -1.628 -8.476 1.00 0.67 O ATOM 809 CB GLN A 54 3.632 -3.315 -10.258 1.00 0.99 C ATOM 810 CG GLN A 54 4.395 -3.433 -11.564 1.00 1.46 C ATOM 811 CD GLN A 54 4.324 -2.168 -12.398 1.00 2.34 C ATOM 812 OE1 GLN A 54 5.261 -1.835 -13.124 1.00 2.99 O ATOM 813 NE2 GLN A 54 3.206 -1.463 -12.317 1.00 3.06 N ATOM 0 H GLN A 54 6.276 -2.137 -8.759 1.00 0.65 H new ATOM 0 HA GLN A 54 4.495 -1.402 -9.826 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.586 -4.295 -9.783 1.00 0.99 H new ATOM 0 HB3 GLN A 54 2.606 -3.016 -10.471 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.438 -3.665 -11.351 1.00 1.46 H new ATOM 0 HG3 GLN A 54 3.994 -4.267 -12.141 1.00 1.46 H new ATOM 0 HE21 GLN A 54 2.452 -1.772 -11.704 1.00 3.06 H new ATOM 0 HE22 GLN A 54 3.099 -0.611 -12.868 1.00 3.06 H new ATOM 822 N ASP A 55 3.694 -1.982 -6.939 1.00 0.47 N ATOM 823 CA ASP A 55 2.850 -1.584 -5.822 1.00 0.45 C ATOM 824 C ASP A 55 3.072 -0.113 -5.502 1.00 0.39 C ATOM 825 O ASP A 55 4.128 0.448 -5.808 1.00 0.48 O ATOM 826 CB ASP A 55 3.131 -2.434 -4.577 1.00 0.50 C ATOM 827 CG ASP A 55 2.719 -3.886 -4.743 1.00 0.67 C ATOM 828 OD1 ASP A 55 1.818 -4.159 -5.562 1.00 1.02 O ATOM 829 OD2 ASP A 55 3.305 -4.758 -4.063 1.00 1.01 O ATOM 0 H ASP A 55 4.633 -2.281 -6.675 1.00 0.47 H new ATOM 0 HA ASP A 55 1.812 -1.743 -6.113 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.195 -2.388 -4.346 1.00 0.50 H new ATOM 0 HB3 ASP A 55 2.601 -2.007 -3.725 1.00 0.50 H new ATOM 834 N ARG A 56 2.071 0.513 -4.905 1.00 0.38 N ATOM 835 CA ARG A 56 2.152 1.923 -4.542 1.00 0.42 C ATOM 836 C ARG A 56 2.203 2.066 -3.024 1.00 0.39 C ATOM 837 O ARG A 56 1.422 1.435 -2.311 1.00 0.39 O ATOM 838 CB ARG A 56 0.951 2.681 -5.140 1.00 0.56 C ATOM 839 CG ARG A 56 0.906 4.181 -4.834 1.00 0.78 C ATOM 840 CD ARG A 56 0.303 4.463 -3.463 1.00 0.79 C ATOM 841 NE ARG A 56 -0.956 5.212 -3.526 1.00 0.89 N ATOM 842 CZ ARG A 56 -2.106 4.721 -3.989 1.00 0.91 C ATOM 843 NH1 ARG A 56 -2.168 3.495 -4.483 1.00 1.51 N ATOM 844 NH2 ARG A 56 -3.205 5.459 -3.936 1.00 1.57 N ATOM 0 H ARG A 56 1.187 0.066 -4.659 1.00 0.38 H new ATOM 0 HA ARG A 56 3.065 2.357 -4.950 1.00 0.42 H new ATOM 0 HB2 ARG A 56 0.960 2.548 -6.222 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.033 2.224 -4.770 1.00 0.56 H new ATOM 0 HG2 ARG A 56 1.915 4.591 -4.878 1.00 0.78 H new ATOM 0 HG3 ARG A 56 0.321 4.690 -5.600 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.130 3.518 -2.948 1.00 0.79 H new ATOM 0 HD3 ARG A 56 1.022 5.024 -2.866 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.952 6.176 -3.192 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.330 2.914 -4.513 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -3.054 3.131 -4.834 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -3.169 6.399 -3.542 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -4.087 5.087 -4.289 1.00 1.57 H new ATOM 858 N ILE A 57 3.122 2.895 -2.543 1.00 0.40 N ATOM 859 CA ILE A 57 3.295 3.111 -1.109 1.00 0.38 C ATOM 860 C ILE A 57 2.228 4.048 -0.571 1.00 0.38 C ATOM 861 O ILE A 57 2.067 5.166 -1.058 1.00 0.49 O ATOM 862 CB ILE A 57 4.688 3.698 -0.797 1.00 0.46 C ATOM 863 CG1 ILE A 57 5.792 2.756 -1.286 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.835 3.971 0.692 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.190 3.302 -1.079 1.00 0.68 C ATOM 0 H ILE A 57 3.763 3.432 -3.128 1.00 0.40 H new ATOM 0 HA ILE A 57 3.202 2.140 -0.623 1.00 0.38 H new ATOM 0 HB ILE A 57 4.787 4.645 -1.328 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.702 1.803 -0.765 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.643 2.555 -2.347 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.824 4.384 0.890 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.074 4.684 1.008 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.713 3.040 1.246 1.00 0.45 H new ATOM 0 HD11 ILE A 57 7.920 2.582 -1.448 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.298 4.240 -1.623 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.359 3.477 -0.016 1.00 0.68 H new ATOM 877 N VAL A 58 1.504 3.583 0.435 1.00 0.29 N ATOM 878 CA VAL A 58 0.424 4.361 1.014 1.00 0.32 C ATOM 879 C VAL A 58 0.708 4.747 2.466 1.00 0.30 C ATOM 880 O VAL A 58 0.180 5.743 2.952 1.00 0.37 O ATOM 881 CB VAL A 58 -0.924 3.619 0.924 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.405 3.555 -0.515 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.821 2.223 1.511 1.00 0.62 C ATOM 0 H VAL A 58 1.646 2.670 0.867 1.00 0.29 H new ATOM 0 HA VAL A 58 0.358 5.276 0.425 1.00 0.32 H new ATOM 0 HB VAL A 58 -1.653 4.179 1.510 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.358 3.027 -0.557 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.533 4.566 -0.901 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -0.670 3.025 -1.121 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.787 1.724 1.434 1.00 0.62 H new ATOM 0 HG22 VAL A 58 -0.072 1.652 0.962 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.530 2.290 2.559 1.00 0.62 H new ATOM 893 N GLU A 59 1.531 3.963 3.163 1.00 0.24 N ATOM 894 CA GLU A 59 1.950 4.312 4.523 1.00 0.25 C ATOM 895 C GLU A 59 3.423 3.977 4.734 1.00 0.22 C ATOM 896 O GLU A 59 3.930 2.994 4.191 1.00 0.23 O ATOM 897 CB GLU A 59 1.115 3.594 5.596 1.00 0.29 C ATOM 898 CG GLU A 59 -0.358 3.972 5.618 1.00 0.40 C ATOM 899 CD GLU A 59 -0.963 3.858 7.006 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.301 2.730 7.416 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.119 4.894 7.687 1.00 0.89 O ATOM 0 H GLU A 59 1.919 3.087 2.812 1.00 0.24 H new ATOM 0 HA GLU A 59 1.791 5.385 4.630 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.197 2.518 5.440 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.545 3.808 6.574 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.474 4.994 5.257 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.906 3.327 4.931 1.00 0.40 H new ATOM 908 N VAL A 60 4.105 4.801 5.522 1.00 0.22 N ATOM 909 CA VAL A 60 5.498 4.559 5.883 1.00 0.21 C ATOM 910 C VAL A 60 5.677 4.710 7.389 1.00 0.22 C ATOM 911 O VAL A 60 5.311 5.736 7.959 1.00 0.27 O ATOM 912 CB VAL A 60 6.471 5.522 5.160 1.00 0.23 C ATOM 913 CG1 VAL A 60 7.899 5.301 5.635 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.389 5.350 3.652 1.00 0.66 C ATOM 0 H VAL A 60 3.711 5.651 5.927 1.00 0.22 H new ATOM 0 HA VAL A 60 5.737 3.543 5.569 1.00 0.21 H new ATOM 0 HB VAL A 60 6.174 6.541 5.406 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.566 5.988 5.114 1.00 0.54 H new ATOM 0 HG12 VAL A 60 7.958 5.482 6.708 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.198 4.274 5.423 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.083 6.038 3.169 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.651 4.326 3.388 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.374 5.563 3.316 1.00 0.66 H new ATOM 924 N ASN A 61 6.214 3.668 8.023 1.00 0.25 N ATOM 925 CA ASN A 61 6.457 3.645 9.474 1.00 0.30 C ATOM 926 C ASN A 61 5.165 3.841 10.261 1.00 0.36 C ATOM 927 O ASN A 61 5.190 4.237 11.426 1.00 0.47 O ATOM 928 CB ASN A 61 7.474 4.713 9.896 1.00 0.39 C ATOM 929 CG ASN A 61 8.836 4.538 9.251 1.00 0.53 C ATOM 930 OD1 ASN A 61 9.232 3.432 8.877 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.572 5.632 9.141 1.00 0.61 N ATOM 0 H ASN A 61 6.495 2.811 7.547 1.00 0.25 H new ATOM 0 HA ASN A 61 6.866 2.661 9.703 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.083 5.698 9.640 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.588 4.687 10.980 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.506 5.580 8.734 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.206 6.528 9.463 1.00 0.61 H new ATOM 938 N GLY A 62 4.040 3.558 9.623 1.00 0.37 N ATOM 939 CA GLY A 62 2.761 3.724 10.279 1.00 0.50 C ATOM 940 C GLY A 62 2.152 5.092 10.035 1.00 0.51 C ATOM 941 O GLY A 62 1.101 5.414 10.588 1.00 0.66 O ATOM 0 H GLY A 62 3.990 3.217 8.663 1.00 0.37 H new ATOM 0 HA2 GLY A 62 2.073 2.956 9.925 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.885 3.572 11.351 1.00 0.50 H new ATOM 945 N VAL A 63 2.818 5.897 9.218 1.00 0.42 N ATOM 946 CA VAL A 63 2.316 7.217 8.859 1.00 0.50 C ATOM 947 C VAL A 63 1.723 7.188 7.456 1.00 0.43 C ATOM 948 O VAL A 63 2.367 6.715 6.516 1.00 0.39 O ATOM 949 CB VAL A 63 3.437 8.281 8.911 1.00 0.61 C ATOM 950 CG1 VAL A 63 2.885 9.670 8.622 1.00 0.98 C ATOM 951 CG2 VAL A 63 4.140 8.251 10.259 1.00 1.17 C ATOM 0 H VAL A 63 3.712 5.657 8.789 1.00 0.42 H new ATOM 0 HA VAL A 63 1.547 7.485 9.584 1.00 0.50 H new ATOM 0 HB VAL A 63 4.167 8.042 8.137 1.00 0.61 H new ATOM 0 HG11 VAL A 63 3.694 10.399 8.665 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.436 9.684 7.629 1.00 0.98 H new ATOM 0 HG13 VAL A 63 2.129 9.923 9.365 1.00 0.98 H new ATOM 0 HG21 VAL A 63 4.925 9.007 10.277 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.419 8.458 11.050 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.580 7.266 10.418 1.00 1.17 H new ATOM 961 N CYS A 64 0.495 7.675 7.326 1.00 0.49 N ATOM 962 CA CYS A 64 -0.186 7.709 6.038 1.00 0.49 C ATOM 963 C CYS A 64 0.557 8.615 5.067 1.00 0.47 C ATOM 964 O CYS A 64 0.746 9.803 5.328 1.00 0.51 O ATOM 965 CB CYS A 64 -1.630 8.185 6.204 1.00 0.59 C ATOM 966 SG CYS A 64 -2.593 8.187 4.671 1.00 1.68 S ATOM 0 H CYS A 64 -0.051 8.053 8.100 1.00 0.49 H new ATOM 0 HA CYS A 64 -0.199 6.697 5.632 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -2.130 7.546 6.933 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -1.623 9.194 6.616 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.800 8.603 4.917 1.00 1.68 H new ATOM 972 N MET A 65 0.975 8.044 3.950 1.00 0.48 N ATOM 973 CA MET A 65 1.763 8.768 2.969 1.00 0.53 C ATOM 974 C MET A 65 0.951 9.058 1.715 1.00 0.61 C ATOM 975 O MET A 65 1.441 9.695 0.780 1.00 0.81 O ATOM 976 CB MET A 65 3.024 7.985 2.619 1.00 0.61 C ATOM 977 CG MET A 65 4.007 7.900 3.771 1.00 0.63 C ATOM 978 SD MET A 65 4.543 9.528 4.323 1.00 0.61 S ATOM 979 CE MET A 65 5.553 9.108 5.735 1.00 0.74 C ATOM 0 H MET A 65 0.780 7.075 3.700 1.00 0.48 H new ATOM 0 HA MET A 65 2.053 9.723 3.408 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.746 6.977 2.311 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.512 8.456 1.766 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.545 7.369 4.603 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.876 7.317 3.464 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.630 9.971 6.397 1.00 0.74 H new ATOM 0 HE2 MET A 65 5.098 8.277 6.274 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.548 8.820 5.397 1.00 0.74 H new ATOM 989 N GLU A 66 -0.294 8.601 1.707 1.00 0.83 N ATOM 990 CA GLU A 66 -1.202 8.861 0.596 1.00 1.01 C ATOM 991 C GLU A 66 -1.626 10.331 0.609 1.00 1.08 C ATOM 992 O GLU A 66 -2.665 10.696 1.162 1.00 1.86 O ATOM 993 CB GLU A 66 -2.418 7.925 0.677 1.00 1.29 C ATOM 994 CG GLU A 66 -3.468 8.149 -0.406 1.00 2.19 C ATOM 995 CD GLU A 66 -2.892 8.172 -1.809 1.00 3.03 C ATOM 996 OE1 GLU A 66 -2.067 7.288 -2.127 1.00 3.75 O ATOM 997 OE2 GLU A 66 -3.239 9.076 -2.591 1.00 3.33 O ATOM 0 H GLU A 66 -0.700 8.046 2.460 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.692 8.662 -0.346 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -2.070 6.894 0.619 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.890 8.048 1.652 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -4.218 7.361 -0.342 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -3.980 9.093 -0.216 1.00 2.19 H new ATOM 1004 N GLY A 67 -0.791 11.174 0.017 1.00 1.21 N ATOM 1005 CA GLY A 67 -1.049 12.600 0.004 1.00 1.36 C ATOM 1006 C GLY A 67 0.185 13.398 0.381 1.00 1.24 C ATOM 1007 O GLY A 67 0.193 14.627 0.290 1.00 1.47 O ATOM 0 H GLY A 67 0.067 10.893 -0.458 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -1.387 12.899 -0.988 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.857 12.830 0.699 1.00 1.36 H new ATOM 1011 N LYS A 68 1.222 12.692 0.820 1.00 0.97 N ATOM 1012 CA LYS A 68 2.491 13.314 1.187 1.00 0.87 C ATOM 1013 C LYS A 68 3.287 13.709 -0.052 1.00 0.90 C ATOM 1014 O LYS A 68 2.794 13.633 -1.178 1.00 1.06 O ATOM 1015 CB LYS A 68 3.323 12.351 2.035 1.00 0.73 C ATOM 1016 CG LYS A 68 2.667 11.972 3.345 1.00 1.24 C ATOM 1017 CD LYS A 68 2.659 13.125 4.327 1.00 2.01 C ATOM 1018 CE LYS A 68 1.904 12.753 5.588 1.00 2.81 C ATOM 1019 NZ LYS A 68 1.928 13.843 6.599 1.00 3.36 N ATOM 0 H LYS A 68 1.208 11.678 0.931 1.00 0.97 H new ATOM 0 HA LYS A 68 2.269 14.213 1.762 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.514 11.446 1.459 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.291 12.807 2.242 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.643 11.647 3.158 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.195 11.125 3.784 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.683 13.401 4.579 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.198 13.998 3.866 1.00 2.01 H new ATOM 0 HE2 LYS A 68 0.870 12.518 5.334 1.00 2.81 H new ATOM 0 HE3 LYS A 68 2.340 11.851 6.018 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 1.400 13.545 7.444 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 2.912 14.051 6.862 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 1.488 14.697 6.200 1.00 3.36 H new ATOM 1033 N GLN A 69 4.520 14.137 0.172 1.00 0.87 N ATOM 1034 CA GLN A 69 5.395 14.557 -0.908 1.00 0.93 C ATOM 1035 C GLN A 69 6.563 13.586 -1.048 1.00 0.81 C ATOM 1036 O GLN A 69 6.850 12.833 -0.115 1.00 0.74 O ATOM 1037 CB GLN A 69 5.917 15.972 -0.642 1.00 1.07 C ATOM 1038 CG GLN A 69 4.818 17.014 -0.497 1.00 1.33 C ATOM 1039 CD GLN A 69 4.043 17.241 -1.779 1.00 2.12 C ATOM 1040 OE1 GLN A 69 4.408 18.086 -2.593 1.00 2.64 O ATOM 1041 NE2 GLN A 69 2.975 16.487 -1.973 1.00 2.89 N ATOM 0 H GLN A 69 4.938 14.202 1.100 1.00 0.87 H new ATOM 0 HA GLN A 69 4.827 14.559 -1.838 1.00 0.93 H new ATOM 0 HB2 GLN A 69 6.518 15.963 0.267 1.00 1.07 H new ATOM 0 HB3 GLN A 69 6.578 16.265 -1.458 1.00 1.07 H new ATOM 0 HG2 GLN A 69 4.129 16.700 0.287 1.00 1.33 H new ATOM 0 HG3 GLN A 69 5.259 17.957 -0.174 1.00 1.33 H new ATOM 0 HE21 GLN A 69 2.704 15.796 -1.273 1.00 2.89 H new ATOM 0 HE22 GLN A 69 2.421 16.596 -2.823 1.00 2.89 H new ATOM 1050 N HIS A 70 7.233 13.603 -2.195 1.00 0.84 N ATOM 1051 CA HIS A 70 8.355 12.697 -2.440 1.00 0.79 C ATOM 1052 C HIS A 70 9.427 12.850 -1.361 1.00 0.70 C ATOM 1053 O HIS A 70 9.954 11.861 -0.854 1.00 0.65 O ATOM 1054 CB HIS A 70 8.958 12.961 -3.823 1.00 0.88 C ATOM 1055 CG HIS A 70 10.109 12.059 -4.170 1.00 0.90 C ATOM 1056 ND1 HIS A 70 11.423 12.472 -4.155 1.00 1.42 N ATOM 1057 CD2 HIS A 70 10.132 10.761 -4.549 1.00 1.37 C ATOM 1058 CE1 HIS A 70 12.202 11.472 -4.509 1.00 1.31 C ATOM 1059 NE2 HIS A 70 11.447 10.421 -4.755 1.00 1.13 N ATOM 0 H HIS A 70 7.021 14.232 -2.970 1.00 0.84 H new ATOM 0 HA HIS A 70 7.979 11.674 -2.406 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.179 12.845 -4.576 1.00 0.88 H new ATOM 0 HB3 HIS A 70 9.294 13.997 -3.870 1.00 0.88 H new ATOM 0 HD1 HIS A 70 11.743 13.408 -3.908 1.00 1.42 H new ATOM 0 HD2 HIS A 70 9.276 10.113 -4.668 1.00 1.37 H new ATOM 0 HE1 HIS A 70 13.279 11.507 -4.585 1.00 1.31 H new ATOM 1068 N GLY A 71 9.722 14.089 -0.997 1.00 0.72 N ATOM 1069 CA GLY A 71 10.730 14.340 0.014 1.00 0.69 C ATOM 1070 C GLY A 71 10.305 13.861 1.389 1.00 0.62 C ATOM 1071 O GLY A 71 11.135 13.405 2.175 1.00 0.62 O ATOM 0 H GLY A 71 9.282 14.925 -1.383 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.657 13.842 -0.270 1.00 0.69 H new ATOM 0 HA3 GLY A 71 10.942 15.409 0.054 1.00 0.69 H new ATOM 1075 N ASP A 72 9.006 13.935 1.662 1.00 0.61 N ATOM 1076 CA ASP A 72 8.473 13.561 2.970 1.00 0.58 C ATOM 1077 C ASP A 72 8.557 12.053 3.167 1.00 0.49 C ATOM 1078 O ASP A 72 9.042 11.575 4.192 1.00 0.44 O ATOM 1079 CB ASP A 72 7.015 14.013 3.096 1.00 0.68 C ATOM 1080 CG ASP A 72 6.540 14.079 4.534 1.00 1.16 C ATOM 1081 OD1 ASP A 72 6.117 13.043 5.078 1.00 1.47 O ATOM 1082 OD2 ASP A 72 6.576 15.184 5.120 1.00 2.03 O ATOM 0 H ASP A 72 8.302 14.251 0.995 1.00 0.61 H new ATOM 0 HA ASP A 72 9.070 14.054 3.737 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.903 14.995 2.636 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.378 13.326 2.539 1.00 0.68 H new ATOM 1087 N VAL A 73 8.121 11.309 2.155 1.00 0.50 N ATOM 1088 CA VAL A 73 8.078 9.852 2.238 1.00 0.45 C ATOM 1089 C VAL A 73 9.484 9.252 2.298 1.00 0.44 C ATOM 1090 O VAL A 73 9.743 8.338 3.078 1.00 0.43 O ATOM 1091 CB VAL A 73 7.287 9.225 1.059 1.00 0.51 C ATOM 1092 CG1 VAL A 73 5.853 9.726 1.056 1.00 1.08 C ATOM 1093 CG2 VAL A 73 7.945 9.515 -0.281 1.00 0.97 C ATOM 0 H VAL A 73 7.792 11.690 1.268 1.00 0.50 H new ATOM 0 HA VAL A 73 7.555 9.612 3.164 1.00 0.45 H new ATOM 0 HB VAL A 73 7.289 8.145 1.203 1.00 0.51 H new ATOM 0 HG11 VAL A 73 5.312 9.277 0.223 1.00 1.08 H new ATOM 0 HG12 VAL A 73 5.369 9.451 1.993 1.00 1.08 H new ATOM 0 HG13 VAL A 73 5.847 10.811 0.950 1.00 1.08 H new ATOM 0 HG21 VAL A 73 7.360 9.059 -1.080 1.00 0.97 H new ATOM 0 HG22 VAL A 73 7.993 10.593 -0.437 1.00 0.97 H new ATOM 0 HG23 VAL A 73 8.954 9.102 -0.288 1.00 0.97 H new ATOM 1103 N VAL A 74 10.394 9.785 1.488 1.00 0.49 N ATOM 1104 CA VAL A 74 11.764 9.285 1.438 1.00 0.53 C ATOM 1105 C VAL A 74 12.502 9.595 2.738 1.00 0.51 C ATOM 1106 O VAL A 74 13.249 8.762 3.256 1.00 0.52 O ATOM 1107 CB VAL A 74 12.539 9.878 0.237 1.00 0.64 C ATOM 1108 CG1 VAL A 74 14.001 9.457 0.266 1.00 0.72 C ATOM 1109 CG2 VAL A 74 11.892 9.451 -1.073 1.00 0.70 C ATOM 0 H VAL A 74 10.207 10.564 0.857 1.00 0.49 H new ATOM 0 HA VAL A 74 11.711 8.204 1.310 1.00 0.53 H new ATOM 0 HB VAL A 74 12.499 10.965 0.313 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.521 9.888 -0.590 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.463 9.811 1.188 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.068 8.370 0.221 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.448 9.876 -1.909 1.00 0.70 H new ATOM 0 HG22 VAL A 74 11.902 8.363 -1.146 1.00 0.70 H new ATOM 0 HG23 VAL A 74 10.862 9.808 -1.104 1.00 0.70 H new ATOM 1119 N SER A 75 12.270 10.788 3.273 1.00 0.51 N ATOM 1120 CA SER A 75 12.905 11.194 4.516 1.00 0.52 C ATOM 1121 C SER A 75 12.399 10.333 5.669 1.00 0.47 C ATOM 1122 O SER A 75 13.166 9.951 6.550 1.00 0.51 O ATOM 1123 CB SER A 75 12.635 12.673 4.795 1.00 0.58 C ATOM 1124 OG SER A 75 13.492 13.173 5.807 1.00 0.66 O ATOM 0 H SER A 75 11.649 11.487 2.866 1.00 0.51 H new ATOM 0 HA SER A 75 13.982 11.053 4.421 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.775 13.249 3.880 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.596 12.804 5.098 1.00 0.58 H new ATOM 0 HG SER A 75 13.297 14.121 5.962 1.00 0.66 H new ATOM 1130 N ALA A 76 11.110 10.012 5.640 1.00 0.42 N ATOM 1131 CA ALA A 76 10.499 9.183 6.672 1.00 0.39 C ATOM 1132 C ALA A 76 11.134 7.797 6.716 1.00 0.37 C ATOM 1133 O ALA A 76 11.386 7.260 7.793 1.00 0.39 O ATOM 1134 CB ALA A 76 9.001 9.070 6.444 1.00 0.39 C ATOM 0 H ALA A 76 10.466 10.315 4.909 1.00 0.42 H new ATOM 0 HA ALA A 76 10.674 9.664 7.634 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.560 8.448 7.223 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.552 10.063 6.475 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.814 8.618 5.470 1.00 0.39 H new ATOM 1140 N ILE A 77 11.399 7.230 5.543 1.00 0.37 N ATOM 1141 CA ILE A 77 12.039 5.920 5.446 1.00 0.39 C ATOM 1142 C ILE A 77 13.397 5.932 6.147 1.00 0.41 C ATOM 1143 O ILE A 77 13.757 4.996 6.865 1.00 0.44 O ATOM 1144 CB ILE A 77 12.231 5.517 3.969 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.876 5.448 3.264 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.959 4.185 3.854 1.00 0.50 C ATOM 1147 CD1 ILE A 77 10.981 5.318 1.762 1.00 0.69 C ATOM 0 H ILE A 77 11.180 7.658 4.643 1.00 0.37 H new ATOM 0 HA ILE A 77 11.389 5.193 5.934 1.00 0.39 H new ATOM 0 HB ILE A 77 12.845 6.276 3.484 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.315 4.599 3.655 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.305 6.345 3.504 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.080 3.926 2.802 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.939 4.265 4.323 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.379 3.409 4.354 1.00 0.50 H new ATOM 0 HD11 ILE A 77 9.981 5.275 1.330 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.514 6.179 1.359 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.524 4.406 1.513 1.00 0.69 H new ATOM 1159 N ARG A 78 14.138 7.007 5.941 1.00 0.43 N ATOM 1160 CA ARG A 78 15.455 7.161 6.544 1.00 0.50 C ATOM 1161 C ARG A 78 15.339 7.488 8.030 1.00 0.50 C ATOM 1162 O ARG A 78 16.144 7.034 8.844 1.00 0.56 O ATOM 1163 CB ARG A 78 16.232 8.262 5.824 1.00 0.58 C ATOM 1164 CG ARG A 78 16.401 8.008 4.336 1.00 0.66 C ATOM 1165 CD ARG A 78 17.072 9.180 3.647 1.00 0.89 C ATOM 1166 NE ARG A 78 17.198 8.971 2.206 1.00 1.59 N ATOM 1167 CZ ARG A 78 17.610 9.903 1.353 1.00 2.11 C ATOM 1168 NH1 ARG A 78 17.904 11.125 1.785 1.00 2.12 N ATOM 1169 NH2 ARG A 78 17.715 9.610 0.062 1.00 3.09 N ATOM 0 H ARG A 78 13.849 7.792 5.357 1.00 0.43 H new ATOM 0 HA ARG A 78 15.992 6.218 6.443 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.717 9.212 5.967 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.216 8.361 6.282 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.995 7.107 4.184 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.426 7.827 3.883 1.00 0.66 H new ATOM 0 HD2 ARG A 78 16.497 10.087 3.833 1.00 0.89 H new ATOM 0 HD3 ARG A 78 18.061 9.336 4.078 1.00 0.89 H new ATOM 0 HE ARG A 78 16.955 8.054 1.832 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.814 11.351 2.776 1.00 2.12 H new ATOM 0 HH12 ARG A 78 18.220 11.837 1.126 1.00 2.12 H new ATOM 0 HH21 ARG A 78 17.480 8.674 -0.269 1.00 3.09 H new ATOM 0 HH22 ARG A 78 18.031 10.321 -0.598 1.00 3.09 H new ATOM 1183 N ALA A 79 14.320 8.264 8.376 1.00 0.47 N ATOM 1184 CA ALA A 79 14.125 8.727 9.746 1.00 0.51 C ATOM 1185 C ALA A 79 13.397 7.691 10.598 1.00 0.43 C ATOM 1186 O ALA A 79 13.023 7.970 11.740 1.00 0.46 O ATOM 1187 CB ALA A 79 13.356 10.041 9.747 1.00 0.65 C ATOM 0 H ALA A 79 13.609 8.589 7.721 1.00 0.47 H new ATOM 0 HA ALA A 79 15.110 8.881 10.187 1.00 0.51 H new ATOM 0 HB1 ALA A 79 13.215 10.379 10.774 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.918 10.792 9.192 1.00 0.65 H new ATOM 0 HB3 ALA A 79 12.384 9.894 9.277 1.00 0.65 H new ATOM 1193 N GLY A 80 13.191 6.503 10.047 1.00 0.41 N ATOM 1194 CA GLY A 80 12.548 5.441 10.798 1.00 0.42 C ATOM 1195 C GLY A 80 13.506 4.762 11.755 1.00 0.46 C ATOM 1196 O GLY A 80 13.089 4.043 12.659 1.00 0.60 O ATOM 0 H GLY A 80 13.457 6.255 9.094 1.00 0.41 H new ATOM 0 HA2 GLY A 80 11.707 5.851 11.357 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.142 4.703 10.107 1.00 0.42 H new ATOM 1200 N GLY A 81 14.792 5.006 11.559 1.00 0.49 N ATOM 1201 CA GLY A 81 15.807 4.368 12.371 1.00 0.63 C ATOM 1202 C GLY A 81 16.728 3.524 11.520 1.00 0.64 C ATOM 1203 O GLY A 81 17.195 3.977 10.472 1.00 1.10 O ATOM 0 H GLY A 81 15.153 5.640 10.846 1.00 0.49 H new ATOM 0 HA2 GLY A 81 16.386 5.126 12.898 1.00 0.63 H new ATOM 0 HA3 GLY A 81 15.333 3.745 13.129 1.00 0.63 H new ATOM 1207 N ASP A 82 16.996 2.298 11.949 1.00 0.43 N ATOM 1208 CA ASP A 82 17.778 1.382 11.132 1.00 0.44 C ATOM 1209 C ASP A 82 16.858 0.355 10.490 1.00 0.39 C ATOM 1210 O ASP A 82 17.302 -0.642 9.928 1.00 0.55 O ATOM 1211 CB ASP A 82 18.865 0.689 11.952 1.00 0.55 C ATOM 1212 CG ASP A 82 20.084 0.359 11.112 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.724 1.303 10.597 1.00 1.97 O ATOM 1214 OD2 ASP A 82 20.418 -0.834 10.975 1.00 2.12 O ATOM 0 H ASP A 82 16.688 1.919 12.845 1.00 0.43 H new ATOM 0 HA ASP A 82 18.275 1.958 10.352 1.00 0.44 H new ATOM 0 HB2 ASP A 82 19.159 1.332 12.782 1.00 0.55 H new ATOM 0 HB3 ASP A 82 18.464 -0.227 12.385 1.00 0.55 H new ATOM 1219 N GLU A 83 15.562 0.614 10.591 1.00 0.38 N ATOM 1220 CA GLU A 83 14.550 -0.200 9.944 1.00 0.39 C ATOM 1221 C GLU A 83 13.353 0.670 9.583 1.00 0.38 C ATOM 1222 O GLU A 83 13.183 1.758 10.134 1.00 0.53 O ATOM 1223 CB GLU A 83 14.149 -1.380 10.839 1.00 0.47 C ATOM 1224 CG GLU A 83 13.882 -1.021 12.295 1.00 0.86 C ATOM 1225 CD GLU A 83 12.461 -0.568 12.551 1.00 1.62 C ATOM 1226 OE1 GLU A 83 11.541 -1.407 12.477 1.00 2.11 O ATOM 1227 OE2 GLU A 83 12.255 0.636 12.806 1.00 2.00 O ATOM 0 H GLU A 83 15.185 1.397 11.126 1.00 0.38 H new ATOM 0 HA GLU A 83 14.956 -0.622 9.024 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.254 -1.843 10.424 1.00 0.47 H new ATOM 0 HB3 GLU A 83 14.941 -2.129 10.804 1.00 0.47 H new ATOM 0 HG2 GLU A 83 14.098 -1.887 12.921 1.00 0.86 H new ATOM 0 HG3 GLU A 83 14.568 -0.230 12.598 1.00 0.86 H new ATOM 1234 N THR A 84 12.544 0.209 8.645 1.00 0.27 N ATOM 1235 CA THR A 84 11.421 0.991 8.169 1.00 0.26 C ATOM 1236 C THR A 84 10.274 0.080 7.754 1.00 0.22 C ATOM 1237 O THR A 84 10.488 -1.067 7.351 1.00 0.21 O ATOM 1238 CB THR A 84 11.827 1.898 6.985 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.764 2.804 6.664 1.00 0.32 O ATOM 1240 CG2 THR A 84 12.180 1.074 5.754 1.00 0.30 C ATOM 0 H THR A 84 12.645 -0.703 8.199 1.00 0.27 H new ATOM 0 HA THR A 84 11.092 1.628 8.990 1.00 0.26 H new ATOM 0 HB THR A 84 12.708 2.463 7.289 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.245 2.999 7.472 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.461 1.740 4.939 1.00 0.30 H new ATOM 0 HG22 THR A 84 13.014 0.412 5.986 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.317 0.479 5.455 1.00 0.30 H new ATOM 1248 N LYS A 85 9.059 0.576 7.896 1.00 0.24 N ATOM 1249 CA LYS A 85 7.884 -0.171 7.488 1.00 0.23 C ATOM 1250 C LYS A 85 7.244 0.487 6.276 1.00 0.23 C ATOM 1251 O LYS A 85 6.785 1.627 6.350 1.00 0.26 O ATOM 1252 CB LYS A 85 6.868 -0.228 8.625 1.00 0.28 C ATOM 1253 CG LYS A 85 7.444 -0.700 9.948 1.00 0.37 C ATOM 1254 CD LYS A 85 6.441 -0.500 11.062 1.00 0.50 C ATOM 1255 CE LYS A 85 7.081 -0.653 12.431 1.00 0.78 C ATOM 1256 NZ LYS A 85 6.155 -0.253 13.523 1.00 1.63 N ATOM 0 H LYS A 85 8.860 1.495 8.292 1.00 0.24 H new ATOM 0 HA LYS A 85 8.192 -1.185 7.233 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.436 0.763 8.762 1.00 0.28 H new ATOM 0 HB3 LYS A 85 6.054 -0.893 8.337 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.715 -1.754 9.879 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.358 -0.150 10.170 1.00 0.37 H new ATOM 0 HD2 LYS A 85 5.997 0.492 10.977 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.631 -1.222 10.956 1.00 0.50 H new ATOM 0 HE2 LYS A 85 7.386 -1.689 12.575 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.984 -0.045 12.480 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 6.629 -0.372 14.441 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 5.883 0.743 13.400 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 5.304 -0.850 13.493 1.00 1.63 H new ATOM 1270 N LEU A 86 7.211 -0.227 5.168 1.00 0.22 N ATOM 1271 CA LEU A 86 6.579 0.271 3.962 1.00 0.22 C ATOM 1272 C LEU A 86 5.266 -0.457 3.734 1.00 0.22 C ATOM 1273 O LEU A 86 5.239 -1.676 3.584 1.00 0.27 O ATOM 1274 CB LEU A 86 7.501 0.088 2.751 1.00 0.24 C ATOM 1275 CG LEU A 86 8.841 0.825 2.831 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.656 0.589 1.571 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.623 2.315 3.048 1.00 0.28 C ATOM 0 H LEU A 86 7.617 -1.159 5.078 1.00 0.22 H new ATOM 0 HA LEU A 86 6.384 1.336 4.084 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.698 -0.976 2.623 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.973 0.424 1.859 1.00 0.24 H new ATOM 0 HG LEU A 86 9.396 0.430 3.682 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.605 1.121 1.646 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.846 -0.478 1.455 1.00 0.28 H new ATOM 0 HD13 LEU A 86 9.103 0.955 0.706 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.588 2.820 3.102 1.00 0.28 H new ATOM 0 HD22 LEU A 86 8.046 2.723 2.218 1.00 0.28 H new ATOM 0 HD23 LEU A 86 8.079 2.471 3.980 1.00 0.28 H new ATOM 1289 N LEU A 87 4.181 0.288 3.727 1.00 0.20 N ATOM 1290 CA LEU A 87 2.872 -0.294 3.521 1.00 0.21 C ATOM 1291 C LEU A 87 2.384 0.063 2.128 1.00 0.21 C ATOM 1292 O LEU A 87 2.255 1.244 1.789 1.00 0.26 O ATOM 1293 CB LEU A 87 1.908 0.204 4.599 1.00 0.27 C ATOM 1294 CG LEU A 87 0.633 -0.623 4.790 1.00 0.39 C ATOM 1295 CD1 LEU A 87 0.245 -0.648 6.252 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.513 -0.052 3.981 1.00 0.45 C ATOM 0 H LEU A 87 4.180 1.299 3.862 1.00 0.20 H new ATOM 0 HA LEU A 87 2.925 -1.380 3.600 1.00 0.21 H new ATOM 0 HB2 LEU A 87 2.442 0.238 5.549 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.621 1.228 4.358 1.00 0.27 H new ATOM 0 HG LEU A 87 0.836 -1.636 4.444 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -0.663 -1.238 6.378 1.00 0.51 H new ATOM 0 HD12 LEU A 87 1.051 -1.094 6.835 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.067 0.370 6.599 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.405 -0.659 4.136 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.710 0.971 4.301 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.250 -0.057 2.923 1.00 0.45 H new ATOM 1308 N VAL A 88 2.133 -0.953 1.318 1.00 0.20 N ATOM 1309 CA VAL A 88 1.786 -0.743 -0.078 1.00 0.23 C ATOM 1310 C VAL A 88 0.486 -1.454 -0.429 1.00 0.24 C ATOM 1311 O VAL A 88 -0.010 -2.277 0.342 1.00 0.27 O ATOM 1312 CB VAL A 88 2.908 -1.232 -1.026 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.192 -0.452 -0.794 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.160 -2.722 -0.852 1.00 0.33 C ATOM 0 H VAL A 88 2.163 -1.932 1.604 1.00 0.20 H new ATOM 0 HA VAL A 88 1.659 0.331 -0.214 1.00 0.23 H new ATOM 0 HB VAL A 88 2.576 -1.057 -2.049 1.00 0.28 H new ATOM 0 HG11 VAL A 88 4.965 -0.814 -1.472 1.00 0.31 H new ATOM 0 HG12 VAL A 88 4.013 0.607 -0.980 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.520 -0.589 0.236 1.00 0.31 H new ATOM 0 HG21 VAL A 88 3.953 -3.039 -1.530 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.460 -2.923 0.176 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.248 -3.274 -1.078 1.00 0.33 H new ATOM 1324 N VAL A 89 -0.068 -1.114 -1.586 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.307 -1.714 -2.055 1.00 0.27 C ATOM 1326 C VAL A 89 -1.139 -2.265 -3.466 1.00 0.34 C ATOM 1327 O VAL A 89 -0.520 -1.632 -4.325 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.482 -0.705 -2.047 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.915 -0.378 -0.629 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -2.111 0.570 -2.793 1.00 0.30 C ATOM 0 H VAL A 89 0.327 -0.420 -2.220 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.542 -2.524 -1.365 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.321 -1.174 -2.561 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.741 0.333 -0.656 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.237 -1.291 -0.127 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.078 0.059 -0.085 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.953 1.262 -2.773 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.249 1.034 -2.314 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.865 0.328 -3.827 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.678 -3.458 -3.678 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.679 -4.094 -4.991 1.00 0.51 C ATOM 1342 C ASP A 90 -2.620 -3.359 -5.935 1.00 0.48 C ATOM 1343 O ASP A 90 -3.440 -2.556 -5.485 1.00 0.45 O ATOM 1344 CB ASP A 90 -2.136 -5.551 -4.881 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.375 -6.339 -3.836 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -1.637 -6.141 -2.632 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -0.539 -7.181 -4.213 1.00 1.86 O ATOM 0 H ASP A 90 -2.126 -4.012 -2.948 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.662 -4.057 -5.381 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -3.199 -5.574 -4.641 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -2.017 -6.036 -5.850 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.525 -3.639 -7.231 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.401 -3.006 -8.214 1.00 0.61 C ATOM 1354 C ARG A 91 -4.871 -3.241 -7.864 1.00 0.55 C ATOM 1355 O ARG A 91 -5.673 -2.304 -7.849 1.00 0.55 O ATOM 1356 CB ARG A 91 -3.121 -3.534 -9.624 1.00 0.75 C ATOM 1357 CG ARG A 91 -3.984 -2.868 -10.681 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.838 -3.526 -12.040 1.00 1.44 C ATOM 1359 NE ARG A 91 -4.709 -2.893 -13.026 1.00 2.25 N ATOM 1360 CZ ARG A 91 -5.086 -3.456 -14.171 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -4.688 -4.685 -14.472 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -5.867 -2.788 -15.009 1.00 4.16 N ATOM 0 H ARG A 91 -1.853 -4.297 -7.625 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.196 -1.936 -8.192 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -2.070 -3.374 -9.865 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -3.293 -4.610 -9.645 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -5.028 -2.906 -10.371 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -3.713 -1.815 -10.758 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -2.801 -3.460 -12.370 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -4.081 -4.586 -11.963 1.00 1.44 H new ATOM 0 HE ARG A 91 -5.052 -1.954 -12.823 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -4.092 -5.201 -13.825 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -4.978 -5.114 -15.350 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -6.177 -1.845 -14.775 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -6.157 -3.217 -15.887 1.00 4.16 H new ATOM 1376 N GLU A 92 -5.205 -4.494 -7.558 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.580 -4.870 -7.232 1.00 0.61 C ATOM 1378 C GLU A 92 -7.061 -4.105 -6.003 1.00 0.51 C ATOM 1379 O GLU A 92 -8.210 -3.672 -5.929 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.671 -6.382 -6.983 1.00 0.74 C ATOM 1381 CG GLU A 92 -5.894 -6.847 -5.758 1.00 1.44 C ATOM 1382 CD GLU A 92 -5.724 -8.349 -5.695 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -4.899 -8.885 -6.472 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -6.399 -8.993 -4.867 1.00 2.68 O ATOM 0 H GLU A 92 -4.541 -5.267 -7.529 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.221 -4.614 -8.076 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -7.718 -6.660 -6.865 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -6.298 -6.909 -7.861 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -4.911 -6.376 -5.759 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -6.409 -6.508 -4.859 1.00 1.44 H new ATOM 1391 N THR A 93 -6.156 -3.933 -5.057 1.00 0.44 N ATOM 1392 CA THR A 93 -6.448 -3.256 -3.813 1.00 0.38 C ATOM 1393 C THR A 93 -6.631 -1.759 -4.044 1.00 0.33 C ATOM 1394 O THR A 93 -7.607 -1.166 -3.588 1.00 0.37 O ATOM 1395 CB THR A 93 -5.296 -3.475 -2.818 1.00 0.36 C ATOM 1396 OG1 THR A 93 -5.005 -4.878 -2.717 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.639 -2.917 -1.447 1.00 0.36 C ATOM 0 H THR A 93 -5.193 -4.262 -5.133 1.00 0.44 H new ATOM 0 HA THR A 93 -7.372 -3.668 -3.408 1.00 0.38 H new ATOM 0 HB THR A 93 -4.419 -2.944 -3.188 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.270 -5.015 -2.084 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.805 -3.087 -0.766 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.830 -1.847 -1.527 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.529 -3.416 -1.063 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.691 -1.163 -4.773 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.709 0.275 -5.017 1.00 0.39 C ATOM 1407 C ASP A 94 -6.974 0.686 -5.749 1.00 0.43 C ATOM 1408 O ASP A 94 -7.675 1.597 -5.318 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.485 0.700 -5.830 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.520 2.169 -6.207 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.571 3.019 -5.295 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -4.463 2.483 -7.411 1.00 1.18 O ATOM 0 H ASP A 94 -4.908 -1.654 -5.204 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.685 0.775 -4.049 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.582 0.497 -5.254 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.427 0.097 -6.736 1.00 0.48 H new ATOM 1417 N GLU A 95 -7.292 -0.022 -6.823 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.475 0.294 -7.611 1.00 0.49 C ATOM 1419 C GLU A 95 -9.751 0.075 -6.801 1.00 0.45 C ATOM 1420 O GLU A 95 -10.765 0.735 -7.037 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.510 -0.526 -8.901 1.00 0.60 C ATOM 1422 CG GLU A 95 -7.418 -0.147 -9.891 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.672 -0.710 -11.272 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -8.773 -0.479 -11.809 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -6.773 -1.369 -11.838 1.00 1.94 O ATOM 0 H GLU A 95 -6.751 -0.815 -7.168 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.421 1.349 -7.879 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.414 -1.583 -8.653 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -9.482 -0.398 -9.377 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -7.347 0.939 -9.952 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -6.457 -0.509 -9.525 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.686 -0.834 -5.837 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.814 -1.099 -4.958 1.00 0.41 C ATOM 1434 C PHE A 96 -11.031 0.082 -4.015 1.00 0.36 C ATOM 1435 O PHE A 96 -12.150 0.575 -3.873 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.565 -2.389 -4.166 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.706 -2.794 -3.274 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.870 -3.317 -3.811 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.612 -2.647 -1.898 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.920 -3.686 -2.993 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.661 -3.016 -1.076 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.810 -3.550 -1.624 1.00 0.72 C ATOM 0 H PHE A 96 -8.860 -1.401 -5.645 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.715 -1.229 -5.558 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.361 -3.199 -4.867 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.670 -2.261 -3.557 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.958 -3.438 -4.881 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.710 -2.240 -1.464 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.828 -4.081 -3.425 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.581 -2.887 -0.007 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.621 -3.861 -0.983 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.956 0.540 -3.387 1.00 0.32 N ATOM 1453 CA PHE A 97 -10.014 1.697 -2.501 1.00 0.32 C ATOM 1454 C PHE A 97 -10.332 2.984 -3.266 1.00 0.39 C ATOM 1455 O PHE A 97 -11.043 3.840 -2.749 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.704 1.851 -1.724 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.578 0.933 -0.536 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.182 -0.387 -0.689 1.00 0.37 C ATOM 1459 CD2 PHE A 97 -8.847 1.399 0.739 1.00 0.38 C ATOM 1460 CE1 PHE A 97 -8.060 -1.220 0.408 1.00 0.40 C ATOM 1461 CE2 PHE A 97 -8.729 0.570 1.838 1.00 0.41 C ATOM 1462 CZ PHE A 97 -8.333 -0.741 1.673 1.00 0.35 C ATOM 0 H PHE A 97 -9.028 0.126 -3.475 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.825 1.522 -1.794 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.870 1.667 -2.401 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.616 2.882 -1.383 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -7.966 -0.769 -1.676 1.00 0.37 H new ATOM 0 HD2 PHE A 97 -9.154 2.425 0.877 1.00 0.38 H new ATOM 0 HE1 PHE A 97 -7.751 -2.246 0.275 1.00 0.40 H new ATOM 0 HE2 PHE A 97 -8.947 0.948 2.826 1.00 0.41 H new ATOM 0 HZ PHE A 97 -8.237 -1.390 2.531 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.806 3.122 -4.485 1.00 0.43 N ATOM 1473 CA LYS A 98 -10.010 4.341 -5.280 1.00 0.53 C ATOM 1474 C LYS A 98 -11.492 4.624 -5.507 1.00 0.56 C ATOM 1475 O LYS A 98 -11.957 5.735 -5.256 1.00 0.61 O ATOM 1476 CB LYS A 98 -9.327 4.222 -6.646 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.813 4.256 -6.596 1.00 0.85 C ATOM 1478 CD LYS A 98 -7.205 3.892 -7.941 1.00 1.13 C ATOM 1479 CE LYS A 98 -7.399 4.986 -8.978 1.00 1.31 C ATOM 1480 NZ LYS A 98 -6.614 6.207 -8.652 1.00 1.92 N ATOM 0 H LYS A 98 -9.238 2.410 -4.944 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.571 5.161 -4.712 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -9.642 3.290 -7.116 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.675 5.034 -7.284 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.479 5.251 -6.302 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.457 3.562 -5.834 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -6.140 3.699 -7.815 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -7.656 2.968 -8.303 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -7.101 4.614 -9.958 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -8.457 5.241 -9.042 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -6.581 6.831 -9.484 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -7.065 6.709 -7.861 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.647 5.936 -8.383 1.00 1.92 H new ATOM 1494 N LYS A 99 -12.230 3.616 -5.963 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.656 3.779 -6.246 1.00 0.63 C ATOM 1496 C LYS A 99 -14.452 3.913 -4.952 1.00 0.63 C ATOM 1497 O LYS A 99 -15.464 4.606 -4.894 1.00 0.75 O ATOM 1498 CB LYS A 99 -14.179 2.594 -7.059 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.917 1.246 -6.408 1.00 0.60 C ATOM 1500 CD LYS A 99 -14.749 0.151 -7.042 1.00 0.76 C ATOM 1501 CE LYS A 99 -16.237 0.412 -6.866 1.00 1.62 C ATOM 1502 NZ LYS A 99 -16.646 0.429 -5.435 1.00 2.04 N ATOM 0 H LYS A 99 -11.868 2.680 -6.145 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.783 4.691 -6.829 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -15.252 2.713 -7.210 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -13.715 2.608 -8.045 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.859 0.998 -6.496 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -14.143 1.305 -5.343 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -14.513 0.082 -8.104 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.491 -0.809 -6.595 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -16.492 1.367 -7.325 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -16.802 -0.356 -7.393 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -17.415 -0.255 -5.286 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -15.834 0.172 -4.839 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -16.976 1.382 -5.179 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.994 3.218 -3.928 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.594 3.293 -2.603 1.00 0.60 C ATOM 1518 C CYS A 100 -14.222 4.593 -1.877 1.00 0.61 C ATOM 1519 O CYS A 100 -14.797 4.923 -0.840 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.149 2.084 -1.781 1.00 0.60 C ATOM 1521 SG CYS A 100 -14.697 0.500 -2.459 1.00 1.39 S ATOM 0 H CYS A 100 -13.196 2.585 -3.988 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.678 3.288 -2.719 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -13.061 2.083 -1.713 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -14.532 2.186 -0.765 1.00 0.60 H new ATOM 0 HG CYS A 100 -13.783 0.029 -3.254 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.251 5.319 -2.443 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.728 6.565 -1.862 1.00 0.65 C ATOM 1529 C ARG A 101 -12.234 6.343 -0.434 1.00 0.64 C ATOM 1530 O ARG A 101 -12.316 7.236 0.409 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.769 7.693 -1.894 1.00 0.77 C ATOM 1532 CG ARG A 101 -13.930 8.361 -3.254 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.634 7.457 -4.249 1.00 1.19 C ATOM 1534 NE ARG A 101 -14.822 8.101 -5.547 1.00 2.14 N ATOM 1535 CZ ARG A 101 -15.854 7.860 -6.355 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -16.759 6.942 -6.028 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -15.968 8.512 -7.504 1.00 4.09 N ATOM 0 H ARG A 101 -12.802 5.059 -3.321 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.884 6.871 -2.479 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.733 7.290 -1.584 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.489 8.450 -1.161 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.496 9.285 -3.140 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -12.949 8.634 -3.643 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -14.054 6.543 -4.380 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -15.604 7.164 -3.847 1.00 1.19 H new ATOM 0 HE ARG A 101 -14.121 8.776 -5.853 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -16.664 6.420 -5.157 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -17.548 6.760 -6.648 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -15.265 9.200 -7.772 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -16.759 8.325 -8.120 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.702 5.158 -0.180 1.00 0.55 N ATOM 1552 CA VAL A 102 -11.228 4.798 1.148 1.00 0.57 C ATOM 1553 C VAL A 102 -9.707 4.894 1.208 1.00 0.49 C ATOM 1554 O VAL A 102 -9.023 4.589 0.230 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.669 3.362 1.529 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -11.209 2.995 2.934 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -13.177 3.212 1.414 1.00 1.42 C ATOM 0 H VAL A 102 -11.587 4.425 -0.880 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.667 5.497 1.860 1.00 0.57 H new ATOM 0 HB VAL A 102 -11.195 2.676 0.827 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -11.534 1.982 3.170 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -10.122 3.048 2.986 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -11.641 3.692 3.652 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -13.463 2.196 1.686 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -13.665 3.919 2.085 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -13.485 3.413 0.388 1.00 1.42 H new ATOM 1567 N ILE A 103 -9.185 5.327 2.345 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.749 5.423 2.536 1.00 0.50 C ATOM 1569 C ILE A 103 -7.207 4.112 3.101 1.00 0.43 C ATOM 1570 O ILE A 103 -7.595 3.690 4.192 1.00 0.46 O ATOM 1571 CB ILE A 103 -7.381 6.587 3.485 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.899 7.919 2.930 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.875 6.649 3.703 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -7.354 8.267 1.559 1.00 1.33 C ATOM 0 H ILE A 103 -9.738 5.618 3.151 1.00 0.54 H new ATOM 0 HA ILE A 103 -7.297 5.619 1.564 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.859 6.406 4.448 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -8.987 7.881 2.879 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -7.640 8.717 3.626 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -5.638 7.475 4.374 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -5.532 5.713 4.145 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -5.375 6.803 2.747 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -7.767 9.222 1.235 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -6.267 8.339 1.607 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -7.635 7.490 0.848 1.00 1.33 H new ATOM 1586 N PRO A 104 -6.330 3.434 2.347 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.704 2.195 2.800 1.00 0.37 C ATOM 1588 C PRO A 104 -4.713 2.450 3.928 1.00 0.37 C ATOM 1589 O PRO A 104 -3.983 3.439 3.910 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.990 1.669 1.554 1.00 0.41 C ATOM 1591 CG PRO A 104 -4.758 2.871 0.703 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.888 3.821 0.995 1.00 0.44 C ATOM 0 HA PRO A 104 -6.429 1.488 3.204 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -4.050 1.183 1.814 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -5.598 0.929 1.034 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -3.796 3.329 0.932 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -4.740 2.602 -0.353 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -5.557 4.859 0.964 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.693 3.722 0.267 1.00 0.44 H new ATOM 1600 N SER A 105 -4.689 1.555 4.906 1.00 0.32 N ATOM 1601 CA SER A 105 -3.875 1.760 6.088 1.00 0.34 C ATOM 1602 C SER A 105 -3.571 0.438 6.784 1.00 0.34 C ATOM 1603 O SER A 105 -4.086 -0.612 6.379 1.00 0.33 O ATOM 1604 CB SER A 105 -4.599 2.702 7.052 1.00 0.43 C ATOM 1605 OG SER A 105 -5.905 2.215 7.340 1.00 1.42 O ATOM 0 H SER A 105 -5.222 0.685 4.902 1.00 0.32 H new ATOM 0 HA SER A 105 -2.929 2.205 5.781 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.028 2.796 7.976 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.664 3.699 6.615 1.00 0.43 H new ATOM 0 HG SER A 105 -6.262 1.752 6.553 1.00 1.42 H new ATOM 1611 N GLN A 106 -2.748 0.498 7.821 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.440 -0.663 8.655 1.00 0.43 C ATOM 1613 C GLN A 106 -3.718 -1.320 9.179 1.00 0.45 C ATOM 1614 O GLN A 106 -3.802 -2.539 9.307 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.573 -0.231 9.835 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.256 0.403 9.431 1.00 0.68 C ATOM 1617 CD GLN A 106 0.134 1.538 10.349 1.00 0.96 C ATOM 1618 OE1 GLN A 106 0.803 1.337 11.363 1.00 1.66 O ATOM 1619 NE2 GLN A 106 -0.275 2.745 9.991 1.00 1.42 N ATOM 0 H GLN A 106 -2.273 1.352 8.111 1.00 0.39 H new ATOM 0 HA GLN A 106 -1.904 -1.389 8.044 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.134 0.477 10.445 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.370 -1.100 10.461 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.528 -0.354 9.439 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.331 0.774 8.409 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -0.828 2.865 9.142 1.00 1.42 H new ATOM 0 HE22 GLN A 106 -0.037 3.555 10.564 1.00 1.42 H new ATOM 1628 N GLU A 107 -4.713 -0.494 9.455 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.000 -0.951 9.964 1.00 0.51 C ATOM 1630 C GLU A 107 -6.662 -1.928 8.987 1.00 0.42 C ATOM 1631 O GLU A 107 -7.397 -2.827 9.390 1.00 0.49 O ATOM 1632 CB GLU A 107 -6.899 0.262 10.186 1.00 0.59 C ATOM 1633 CG GLU A 107 -8.231 -0.048 10.841 1.00 1.41 C ATOM 1634 CD GLU A 107 -9.058 1.201 11.028 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -8.516 2.221 11.496 1.00 2.82 O ATOM 1636 OE2 GLU A 107 -10.269 1.162 10.726 1.00 2.63 O ATOM 0 H GLU A 107 -4.653 0.517 9.333 1.00 0.46 H new ATOM 0 HA GLU A 107 -5.845 -1.478 10.906 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -6.365 0.985 10.803 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.085 0.740 9.224 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -8.782 -0.762 10.229 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -8.061 -0.522 11.808 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.376 -1.745 7.706 1.00 0.34 N ATOM 1644 CA HIS A 108 -6.999 -2.524 6.645 1.00 0.37 C ATOM 1645 C HIS A 108 -6.238 -3.815 6.358 1.00 0.46 C ATOM 1646 O HIS A 108 -6.732 -4.669 5.627 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.105 -1.684 5.374 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.123 -0.592 5.469 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.811 0.711 5.797 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.460 -0.615 5.268 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -8.909 1.437 5.787 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -9.927 0.659 5.470 1.00 0.52 N ATOM 0 H HIS A 108 -5.706 -1.052 7.373 1.00 0.34 H new ATOM 0 HA HIS A 108 -7.997 -2.802 6.985 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.132 -1.246 5.154 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.358 -2.335 4.537 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.051 -1.478 4.998 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -8.967 2.494 6.002 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -10.899 0.956 5.389 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.021 -3.923 6.890 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.152 -5.082 6.646 1.00 0.70 C ATOM 1663 C LEU A 109 -4.834 -6.399 7.004 1.00 0.79 C ATOM 1664 O LEU A 109 -4.817 -6.819 8.162 1.00 1.24 O ATOM 1665 CB LEU A 109 -2.862 -4.969 7.464 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.010 -3.731 7.205 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -0.866 -3.672 8.203 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -1.476 -3.734 5.786 1.00 0.67 C ATOM 0 H LEU A 109 -4.608 -3.216 7.499 1.00 0.52 H new ATOM 0 HA LEU A 109 -3.928 -5.081 5.579 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.124 -4.990 8.522 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.253 -5.852 7.268 1.00 0.96 H new ATOM 0 HG LEU A 109 -2.634 -2.846 7.330 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.262 -2.785 8.012 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.268 -3.626 9.215 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.246 -4.563 8.099 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -0.871 -2.842 5.623 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -0.863 -4.622 5.630 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -2.309 -3.740 5.084 1.00 0.67 H new ATOM 1680 N ASN A 110 -5.453 -7.020 6.001 1.00 1.37 N ATOM 1681 CA ASN A 110 -6.029 -8.364 6.122 1.00 1.67 C ATOM 1682 C ASN A 110 -7.307 -8.373 6.968 1.00 1.44 C ATOM 1683 O ASN A 110 -8.068 -9.337 6.939 1.00 1.77 O ATOM 1684 CB ASN A 110 -4.993 -9.347 6.689 1.00 2.17 C ATOM 1685 CG ASN A 110 -5.456 -10.788 6.637 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -5.302 -11.460 5.617 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -6.005 -11.284 7.734 1.00 3.35 N ATOM 0 H ASN A 110 -5.571 -6.606 5.076 1.00 1.37 H new ATOM 0 HA ASN A 110 -6.308 -8.687 5.119 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -4.063 -9.249 6.129 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -4.773 -9.079 7.722 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -6.317 -12.255 7.754 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -6.116 -10.696 8.560 1.00 3.35 H new ATOM 1694 N GLY A 111 -7.545 -7.297 7.699 1.00 1.12 N ATOM 1695 CA GLY A 111 -8.721 -7.219 8.539 1.00 1.12 C ATOM 1696 C GLY A 111 -9.956 -6.770 7.777 1.00 0.87 C ATOM 1697 O GLY A 111 -10.359 -7.409 6.803 1.00 0.93 O ATOM 0 H GLY A 111 -6.943 -6.474 7.726 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -8.909 -8.195 8.985 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -8.532 -6.525 9.358 1.00 1.12 H new ATOM 1701 N PRO A 112 -10.575 -5.662 8.192 1.00 0.86 N ATOM 1702 CA PRO A 112 -11.805 -5.175 7.593 1.00 0.93 C ATOM 1703 C PRO A 112 -11.558 -4.268 6.393 1.00 0.89 C ATOM 1704 O PRO A 112 -11.042 -3.155 6.528 1.00 1.31 O ATOM 1705 CB PRO A 112 -12.460 -4.400 8.736 1.00 1.25 C ATOM 1706 CG PRO A 112 -11.343 -3.976 9.641 1.00 1.30 C ATOM 1707 CD PRO A 112 -10.119 -4.786 9.276 1.00 1.10 C ATOM 0 HA PRO A 112 -12.418 -5.985 7.199 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -13.006 -3.535 8.359 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -13.179 -5.023 9.269 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -11.143 -2.910 9.528 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -11.613 -4.141 10.684 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -9.300 -4.145 8.951 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -9.755 -5.362 10.127 1.00 1.10 H new ATOM 1715 N LEU A 113 -11.905 -4.762 5.216 1.00 0.62 N ATOM 1716 CA LEU A 113 -11.862 -3.960 4.008 1.00 0.58 C ATOM 1717 C LEU A 113 -13.094 -3.056 3.953 1.00 0.69 C ATOM 1718 O LEU A 113 -14.014 -3.230 4.749 1.00 0.90 O ATOM 1719 CB LEU A 113 -11.808 -4.865 2.766 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.586 -5.785 2.670 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -10.577 -6.517 1.338 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -9.298 -4.990 2.860 1.00 1.05 C ATOM 0 H LEU A 113 -12.221 -5.721 5.073 1.00 0.62 H new ATOM 0 HA LEU A 113 -10.964 -3.342 4.020 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.707 -5.481 2.748 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -11.836 -4.234 1.877 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.647 -6.525 3.468 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -9.703 -7.166 1.285 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -11.482 -7.118 1.247 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -10.540 -5.792 0.525 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -8.442 -5.661 2.788 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -9.225 -4.225 2.087 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -9.305 -4.515 3.841 1.00 1.05 H new