USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 903 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 79 GLN : amide:sc= -26.5! C(o=-28!,f=-29!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -163:sc= -1.04! (180deg=-1.52) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.627 K(o=0.28,f=-14!) USER MOD Set 2.2: A 22 LYS NZ :NH3+ -121:sc= 0.909 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 28:sc= 0.394 USER MOD Single : A 13 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-2.4) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 69:sc= 0.0148 USER MOD Single : A 30 ASN : amide:sc= -6.65! K(o=-6.7!,f=0.15) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc=-0.00674 (180deg=-0.165) USER MOD Single : A 32 HIS : no HD1:sc= -8.56! C(o=-8.6!,f=-13!) USER MOD Single : A 34 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.4) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -7.23! C(o=-7.2!,f=-6.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 45 THR OG1 : rot -167:sc= -2.52! USER MOD Single : A 46 GLN : amide:sc= -7.31! C(o=-7.3!,f=-11!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -173:sc= 0 (180deg=-0.0709) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.58 K(o=-1.6,f=-8.8!) USER MOD Single : A 85 SER OG : rot 96:sc= 0.776 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.1!) USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.018) USER MOD Single : A 100 LYS NZ :NH3+ -124:sc= -0.0664 (180deg=-0.235) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot -39:sc= -3.14 USER MOD Single : A 112 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0336) USER MOD Single : A 113 SER OG : rot 85:sc= 0.63 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0.294 X(o=0.29,f=-0.14) USER MOD Single : A 123 THR OG1 : rot 94:sc= 1.18 USER MOD Single : A 124 LYS NZ :NH3+ -118:sc= -7.06! (180deg=-8.8!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 18.551 -6.750 1.644 1.00 1.61 N ATOM 138 CA THR A 9 19.574 -5.709 1.921 1.00 1.66 C ATOM 139 C THR A 9 19.031 -4.698 2.925 1.00 1.62 C ATOM 140 O THR A 9 19.637 -4.422 3.937 1.00 1.65 O ATOM 141 CB THR A 9 19.942 -4.990 0.618 1.00 1.71 C ATOM 142 OG1 THR A 9 20.109 -5.949 -0.417 1.00 1.71 O ATOM 143 CG2 THR A 9 21.245 -4.211 0.809 1.00 1.78 C ATOM 0 HA THR A 9 20.462 -6.185 2.338 1.00 1.66 H new ATOM 0 HB THR A 9 19.145 -4.296 0.349 1.00 1.71 H new ATOM 0 HG1 THR A 9 19.549 -6.732 -0.231 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.504 -3.701 -0.119 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.116 -3.476 1.603 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.045 -4.900 1.079 1.00 1.78 H new ATOM 151 N LEU A 10 17.894 -4.150 2.649 1.00 1.55 N ATOM 152 CA LEU A 10 17.305 -3.145 3.580 1.00 1.52 C ATOM 153 C LEU A 10 17.222 -3.752 4.978 1.00 1.51 C ATOM 154 O LEU A 10 17.822 -3.275 5.911 1.00 1.54 O ATOM 155 CB LEU A 10 15.891 -2.756 3.087 1.00 1.44 C ATOM 156 CG LEU A 10 15.960 -1.522 2.164 1.00 1.43 C ATOM 157 CD1 LEU A 10 14.716 -1.473 1.272 1.00 1.48 C ATOM 158 CD2 LEU A 10 16.019 -0.236 3.002 1.00 1.36 C ATOM 0 H LEU A 10 17.338 -4.350 1.817 1.00 1.55 H new ATOM 0 HA LEU A 10 17.929 -2.252 3.609 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.443 -3.593 2.551 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.248 -2.543 3.941 1.00 1.44 H new ATOM 0 HG LEU A 10 16.857 -1.598 1.549 1.00 1.43 H new ATOM 0 HD11 LEU A 10 14.769 -0.600 0.622 1.00 1.48 H new ATOM 0 HD12 LEU A 10 14.669 -2.376 0.664 1.00 1.48 H new ATOM 0 HD13 LEU A 10 13.824 -1.408 1.895 1.00 1.48 H new ATOM 0 HD21 LEU A 10 16.067 0.628 2.339 1.00 1.36 H new ATOM 0 HD22 LEU A 10 15.127 -0.166 3.625 1.00 1.36 H new ATOM 0 HD23 LEU A 10 16.904 -0.256 3.637 1.00 1.36 H new ATOM 170 N PHE A 11 16.492 -4.810 5.119 1.00 1.48 N ATOM 171 CA PHE A 11 16.367 -5.461 6.455 1.00 1.48 C ATOM 172 C PHE A 11 17.757 -5.791 6.985 1.00 1.55 C ATOM 173 O PHE A 11 18.116 -5.484 8.105 1.00 1.57 O ATOM 174 CB PHE A 11 15.586 -6.777 6.278 1.00 1.42 C ATOM 175 CG PHE A 11 14.132 -6.593 6.625 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.754 -6.171 7.906 1.00 1.34 C ATOM 177 CD2 PHE A 11 13.170 -6.863 5.663 1.00 1.31 C ATOM 178 CE1 PHE A 11 12.399 -6.017 8.216 1.00 1.27 C ATOM 179 CE2 PHE A 11 11.814 -6.712 5.968 1.00 1.25 C ATOM 180 CZ PHE A 11 11.427 -6.288 7.246 1.00 1.23 C ATOM 0 H PHE A 11 15.970 -5.261 4.367 1.00 1.48 H new ATOM 0 HA PHE A 11 15.854 -4.796 7.150 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.677 -7.122 5.248 1.00 1.42 H new ATOM 0 HB3 PHE A 11 16.020 -7.550 6.913 1.00 1.42 H new ATOM 0 HD1 PHE A 11 14.507 -5.965 8.652 1.00 1.34 H new ATOM 0 HD2 PHE A 11 13.469 -7.190 4.678 1.00 1.31 H new ATOM 0 HE1 PHE A 11 12.103 -5.690 9.202 1.00 1.27 H new ATOM 0 HE2 PHE A 11 11.065 -6.922 5.219 1.00 1.25 H new ATOM 0 HZ PHE A 11 10.380 -6.170 7.482 1.00 1.23 H new ATOM 190 N ASP A 12 18.507 -6.465 6.182 1.00 1.58 N ATOM 191 CA ASP A 12 19.874 -6.906 6.599 1.00 1.65 C ATOM 192 C ASP A 12 20.793 -5.732 6.925 1.00 1.70 C ATOM 193 O ASP A 12 21.464 -5.718 7.938 1.00 1.75 O ATOM 194 CB ASP A 12 20.505 -7.723 5.469 1.00 1.68 C ATOM 195 CG ASP A 12 21.668 -8.556 6.016 1.00 1.63 C ATOM 196 OD1 ASP A 12 22.653 -7.964 6.425 1.00 1.58 O ATOM 197 OD2 ASP A 12 21.553 -9.770 6.017 1.00 1.65 O ATOM 0 H ASP A 12 18.238 -6.740 5.237 1.00 1.58 H new ATOM 0 HA ASP A 12 19.761 -7.503 7.504 1.00 1.65 H new ATOM 0 HB2 ASP A 12 19.757 -8.377 5.020 1.00 1.68 H new ATOM 0 HB3 ASP A 12 20.861 -7.058 4.682 1.00 1.68 H new ATOM 202 N HIS A 13 20.874 -4.787 6.047 1.00 1.70 N ATOM 203 CA HIS A 13 21.802 -3.633 6.248 1.00 1.76 C ATOM 204 C HIS A 13 21.067 -2.377 6.730 1.00 1.73 C ATOM 205 O HIS A 13 21.682 -1.348 6.926 1.00 1.77 O ATOM 206 CB HIS A 13 22.473 -3.334 4.906 1.00 1.80 C ATOM 207 CG HIS A 13 23.522 -4.375 4.614 1.00 1.86 C ATOM 208 ND1 HIS A 13 23.654 -5.524 5.377 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.494 -4.452 3.648 1.00 1.91 C ATOM 210 CE1 HIS A 13 24.671 -6.238 4.861 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.218 -5.630 3.806 1.00 1.95 N ATOM 0 H HIS A 13 20.333 -4.756 5.183 1.00 1.70 H new ATOM 0 HA HIS A 13 22.530 -3.900 7.015 1.00 1.76 H new ATOM 0 HB2 HIS A 13 21.727 -3.324 4.111 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.928 -2.344 4.930 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.670 -3.711 2.882 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.004 -7.188 5.253 1.00 1.93 H new ATOM 0 HE2 HIS A 13 25.999 -5.958 3.238 1.00 1.95 H new ATOM 219 N ALA A 14 19.779 -2.423 6.922 1.00 1.66 N ATOM 220 CA ALA A 14 19.082 -1.185 7.381 1.00 1.63 C ATOM 221 C ALA A 14 17.627 -1.473 7.785 1.00 1.56 C ATOM 222 O ALA A 14 16.711 -1.012 7.133 1.00 1.51 O ATOM 223 CB ALA A 14 19.096 -0.154 6.245 1.00 1.62 C ATOM 0 H ALA A 14 19.188 -3.243 6.786 1.00 1.66 H new ATOM 0 HA ALA A 14 19.606 -0.801 8.256 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.589 0.754 6.571 1.00 1.62 H new ATOM 0 HB2 ALA A 14 20.127 0.081 5.980 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.582 -0.564 5.375 1.00 1.62 H new ATOM 229 N PRO A 15 17.444 -2.195 8.864 1.00 1.57 N ATOM 230 CA PRO A 15 16.095 -2.495 9.359 1.00 1.51 C ATOM 231 C PRO A 15 15.440 -1.179 9.800 1.00 1.50 C ATOM 232 O PRO A 15 14.243 -1.095 9.989 1.00 1.44 O ATOM 233 CB PRO A 15 16.318 -3.450 10.557 1.00 1.54 C ATOM 234 CG PRO A 15 17.849 -3.689 10.685 1.00 1.62 C ATOM 235 CD PRO A 15 18.543 -2.768 9.661 1.00 1.64 C ATOM 0 HA PRO A 15 15.442 -2.952 8.616 1.00 1.51 H new ATOM 0 HB2 PRO A 15 15.920 -3.015 11.474 1.00 1.54 H new ATOM 0 HB3 PRO A 15 15.795 -4.393 10.398 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.190 -3.466 11.696 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.093 -4.733 10.490 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.120 -1.988 10.158 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.237 -3.327 9.033 1.00 1.64 H new ATOM 243 N ASP A 16 16.235 -0.152 9.968 1.00 1.55 N ATOM 244 CA ASP A 16 15.684 1.170 10.403 1.00 1.55 C ATOM 245 C ASP A 16 15.219 1.970 9.182 1.00 1.52 C ATOM 246 O ASP A 16 14.140 2.536 9.167 1.00 1.48 O ATOM 247 CB ASP A 16 16.772 1.957 11.139 1.00 1.63 C ATOM 248 CG ASP A 16 17.366 1.089 12.249 1.00 1.65 C ATOM 249 OD1 ASP A 16 16.656 0.811 13.201 1.00 1.68 O ATOM 250 OD2 ASP A 16 18.522 0.718 12.129 1.00 1.64 O ATOM 0 H ASP A 16 17.244 -0.171 9.823 1.00 1.55 H new ATOM 0 HA ASP A 16 14.836 1.003 11.067 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.553 2.258 10.441 1.00 1.63 H new ATOM 0 HB3 ASP A 16 16.353 2.870 11.562 1.00 1.63 H new ATOM 255 N LYS A 17 16.018 2.018 8.153 1.00 1.55 N ATOM 256 CA LYS A 17 15.612 2.774 6.939 1.00 1.54 C ATOM 257 C LYS A 17 14.360 2.116 6.378 1.00 1.46 C ATOM 258 O LYS A 17 13.451 2.772 5.922 1.00 1.42 O ATOM 259 CB LYS A 17 16.730 2.732 5.896 1.00 1.59 C ATOM 260 CG LYS A 17 17.948 3.500 6.415 1.00 1.67 C ATOM 261 CD LYS A 17 19.028 3.531 5.330 1.00 1.72 C ATOM 262 CE LYS A 17 20.360 3.983 5.933 1.00 1.80 C ATOM 263 NZ LYS A 17 21.276 4.408 4.837 1.00 1.80 N ATOM 0 H LYS A 17 16.932 1.567 8.101 1.00 1.55 H new ATOM 0 HA LYS A 17 15.417 3.816 7.191 1.00 1.54 H new ATOM 0 HB2 LYS A 17 17.003 1.699 5.683 1.00 1.59 H new ATOM 0 HB3 LYS A 17 16.384 3.170 4.960 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.662 4.516 6.689 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.335 3.024 7.316 1.00 1.67 H new ATOM 0 HD2 LYS A 17 19.137 2.542 4.885 1.00 1.72 H new ATOM 0 HD3 LYS A 17 18.732 4.209 4.530 1.00 1.72 H new ATOM 0 HE2 LYS A 17 20.197 4.807 6.627 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.809 3.170 6.503 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 22.183 4.716 5.242 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 21.439 3.609 4.191 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 20.846 5.196 4.311 1.00 1.80 H new ATOM 277 N LEU A 18 14.301 0.817 6.436 1.00 1.43 N ATOM 278 CA LEU A 18 13.100 0.101 5.938 1.00 1.36 C ATOM 279 C LEU A 18 11.876 0.694 6.631 1.00 1.31 C ATOM 280 O LEU A 18 10.866 0.975 6.018 1.00 1.26 O ATOM 281 CB LEU A 18 13.236 -1.386 6.296 1.00 1.35 C ATOM 282 CG LEU A 18 12.323 -2.250 5.408 1.00 1.35 C ATOM 283 CD1 LEU A 18 12.743 -3.717 5.536 1.00 1.28 C ATOM 284 CD2 LEU A 18 10.855 -2.101 5.844 1.00 1.41 C ATOM 0 H LEU A 18 15.038 0.218 6.809 1.00 1.43 H new ATOM 0 HA LEU A 18 12.999 0.204 4.858 1.00 1.36 H new ATOM 0 HB2 LEU A 18 14.272 -1.700 6.174 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.979 -1.537 7.344 1.00 1.35 H new ATOM 0 HG LEU A 18 12.418 -1.921 4.373 1.00 1.35 H new ATOM 0 HD11 LEU A 18 12.100 -4.335 4.909 1.00 1.28 H new ATOM 0 HD12 LEU A 18 13.779 -3.828 5.215 1.00 1.28 H new ATOM 0 HD13 LEU A 18 12.649 -4.033 6.575 1.00 1.28 H new ATOM 0 HD21 LEU A 18 10.222 -2.718 5.207 1.00 1.41 H new ATOM 0 HD22 LEU A 18 10.749 -2.422 6.880 1.00 1.41 H new ATOM 0 HD23 LEU A 18 10.553 -1.058 5.754 1.00 1.41 H new ATOM 296 N ASN A 19 11.973 0.898 7.913 1.00 1.33 N ATOM 297 CA ASN A 19 10.824 1.482 8.665 1.00 1.29 C ATOM 298 C ASN A 19 10.423 2.814 8.025 1.00 1.30 C ATOM 299 O ASN A 19 9.268 3.048 7.724 1.00 1.25 O ATOM 300 CB ASN A 19 11.226 1.718 10.122 1.00 1.32 C ATOM 301 CG ASN A 19 10.016 2.225 10.908 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.308 3.103 10.455 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.745 1.707 12.075 1.00 1.22 N ATOM 0 H ASN A 19 12.797 0.686 8.475 1.00 1.33 H new ATOM 0 HA ASN A 19 9.982 0.791 8.632 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.598 0.793 10.562 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.037 2.444 10.174 1.00 1.32 H new ATOM 0 HD21 ASN A 19 8.940 2.039 12.606 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.338 0.970 12.456 1.00 1.22 H new ATOM 310 N VAL A 20 11.366 3.690 7.811 1.00 1.36 N ATOM 311 CA VAL A 20 11.031 5.004 7.185 1.00 1.38 C ATOM 312 C VAL A 20 10.446 4.773 5.786 1.00 1.34 C ATOM 313 O VAL A 20 9.543 5.470 5.351 1.00 1.32 O ATOM 314 CB VAL A 20 12.295 5.860 7.078 1.00 1.46 C ATOM 315 CG1 VAL A 20 11.924 7.260 6.583 1.00 1.48 C ATOM 316 CG2 VAL A 20 12.954 5.966 8.455 1.00 1.50 C ATOM 0 H VAL A 20 12.351 3.555 8.041 1.00 1.36 H new ATOM 0 HA VAL A 20 10.297 5.521 7.803 1.00 1.38 H new ATOM 0 HB VAL A 20 12.988 5.398 6.375 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.824 7.869 6.507 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.452 7.186 5.603 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.231 7.723 7.286 1.00 1.48 H new ATOM 0 HG21 VAL A 20 13.855 6.575 8.381 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.259 6.428 9.156 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.218 4.970 8.810 1.00 1.50 H new ATOM 326 N VAL A 21 10.944 3.800 5.072 1.00 1.33 N ATOM 327 CA VAL A 21 10.402 3.540 3.712 1.00 1.30 C ATOM 328 C VAL A 21 8.916 3.193 3.825 1.00 1.22 C ATOM 329 O VAL A 21 8.132 3.537 2.965 1.00 1.19 O ATOM 330 CB VAL A 21 11.165 2.386 3.047 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.557 2.093 1.669 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.642 2.776 2.872 1.00 1.38 C ATOM 0 H VAL A 21 11.697 3.180 5.370 1.00 1.33 H new ATOM 0 HA VAL A 21 10.523 4.431 3.096 1.00 1.30 H new ATOM 0 HB VAL A 21 11.092 1.499 3.677 1.00 1.30 H new ATOM 0 HG11 VAL A 21 11.100 1.273 1.198 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.510 1.815 1.785 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.629 2.982 1.043 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.182 1.955 2.400 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.712 3.665 2.245 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.081 2.985 3.847 1.00 1.38 H new ATOM 342 N LYS A 22 8.503 2.543 4.884 1.00 1.19 N ATOM 343 CA LYS A 22 7.067 2.233 5.018 1.00 1.12 C ATOM 344 C LYS A 22 6.358 3.570 5.158 1.00 1.12 C ATOM 345 O LYS A 22 5.381 3.814 4.516 1.00 1.09 O ATOM 346 CB LYS A 22 6.842 1.332 6.249 1.00 1.09 C ATOM 347 CG LYS A 22 5.376 1.418 6.768 1.00 1.03 C ATOM 348 CD LYS A 22 5.359 1.318 8.300 1.00 1.03 C ATOM 349 CE LYS A 22 5.905 2.620 8.924 1.00 1.09 C ATOM 350 NZ LYS A 22 6.895 2.277 9.984 1.00 1.14 N ATOM 0 H LYS A 22 9.098 2.221 5.648 1.00 1.19 H new ATOM 0 HA LYS A 22 6.678 1.689 4.157 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.076 0.299 5.991 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.527 1.625 7.044 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.923 2.357 6.451 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.780 0.614 6.335 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.342 1.137 8.649 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.963 0.470 8.623 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.374 3.236 8.157 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.089 3.205 9.348 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.582 2.673 10.893 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.972 1.243 10.065 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.823 2.675 9.734 1.00 1.14 H new ATOM 364 N LYS A 23 6.845 4.430 6.001 1.00 1.17 N ATOM 365 CA LYS A 23 6.185 5.760 6.174 1.00 1.18 C ATOM 366 C LYS A 23 6.081 6.472 4.817 1.00 1.20 C ATOM 367 O LYS A 23 5.252 7.343 4.620 1.00 1.20 O ATOM 368 CB LYS A 23 7.001 6.628 7.140 1.00 1.25 C ATOM 369 CG LYS A 23 7.010 5.997 8.545 1.00 1.23 C ATOM 370 CD LYS A 23 7.251 7.078 9.607 1.00 1.29 C ATOM 371 CE LYS A 23 8.557 7.819 9.310 1.00 1.36 C ATOM 372 NZ LYS A 23 8.860 8.757 10.428 1.00 1.39 N ATOM 0 H LYS A 23 7.670 4.275 6.580 1.00 1.17 H new ATOM 0 HA LYS A 23 5.186 5.606 6.581 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.022 6.731 6.773 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.576 7.631 7.187 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.060 5.496 8.733 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.789 5.237 8.606 1.00 1.23 H new ATOM 0 HD2 LYS A 23 6.418 7.781 9.618 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.298 6.624 10.597 1.00 1.29 H new ATOM 0 HE2 LYS A 23 9.373 7.106 9.188 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.471 8.369 8.373 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 9.747 9.261 10.227 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 8.085 9.444 10.524 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 8.959 8.221 11.314 1.00 1.39 H new ATOM 386 N THR A 24 6.900 6.111 3.869 1.00 1.22 N ATOM 387 CA THR A 24 6.816 6.780 2.534 1.00 1.24 C ATOM 388 C THR A 24 5.659 6.164 1.766 1.00 1.18 C ATOM 389 O THR A 24 4.865 6.841 1.137 1.00 1.18 O ATOM 390 CB THR A 24 8.125 6.577 1.767 1.00 1.30 C ATOM 391 OG1 THR A 24 9.174 7.267 2.433 1.00 1.36 O ATOM 392 CG2 THR A 24 7.977 7.118 0.345 1.00 1.31 C ATOM 0 H THR A 24 7.617 5.391 3.955 1.00 1.22 H new ATOM 0 HA THR A 24 6.653 7.851 2.658 1.00 1.24 H new ATOM 0 HB THR A 24 8.359 5.513 1.724 1.00 1.30 H new ATOM 0 HG1 THR A 24 10.013 7.137 1.944 1.00 1.36 H new ATOM 0 HG21 THR A 24 8.910 6.972 -0.199 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.173 6.587 -0.165 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.742 8.182 0.383 1.00 1.31 H new ATOM 400 N LEU A 25 5.523 4.886 1.861 1.00 1.13 N ATOM 401 CA LEU A 25 4.394 4.221 1.197 1.00 1.07 C ATOM 402 C LEU A 25 3.124 4.797 1.827 1.00 1.03 C ATOM 403 O LEU A 25 2.117 5.003 1.171 1.00 0.99 O ATOM 404 CB LEU A 25 4.522 2.719 1.462 1.00 1.03 C ATOM 405 CG LEU A 25 5.844 2.209 0.860 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.018 0.705 1.164 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.864 2.466 -0.666 1.00 1.09 C ATOM 0 H LEU A 25 6.152 4.269 2.375 1.00 1.13 H new ATOM 0 HA LEU A 25 4.371 4.379 0.119 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.497 2.523 2.534 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.679 2.187 1.022 1.00 1.03 H new ATOM 0 HG LEU A 25 6.676 2.750 1.312 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.956 0.353 0.734 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.033 0.551 2.243 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.188 0.148 0.730 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.803 2.102 -1.084 1.00 1.09 H new ATOM 0 HD22 LEU A 25 5.031 1.942 -1.134 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.772 3.535 -0.856 1.00 1.09 H new ATOM 419 N ILE A 26 3.193 5.104 3.100 1.00 1.04 N ATOM 420 CA ILE A 26 2.035 5.704 3.793 1.00 1.01 C ATOM 421 C ILE A 26 1.754 7.058 3.171 1.00 1.05 C ATOM 422 O ILE A 26 0.634 7.464 3.082 1.00 1.02 O ATOM 423 CB ILE A 26 2.353 5.893 5.282 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.554 4.519 5.927 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.186 6.611 5.964 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.931 4.648 7.414 1.00 1.01 C ATOM 0 H ILE A 26 4.016 4.959 3.685 1.00 1.04 H new ATOM 0 HA ILE A 26 1.169 5.049 3.695 1.00 1.01 H new ATOM 0 HB ILE A 26 3.259 6.489 5.394 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.640 3.933 5.831 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.337 3.977 5.397 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.410 6.746 7.022 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.035 7.585 5.498 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.280 6.014 5.858 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.067 3.655 7.842 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.859 5.213 7.506 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.135 5.168 7.947 1.00 1.01 H new ATOM 438 N THR A 27 2.766 7.768 2.756 1.00 1.11 N ATOM 439 CA THR A 27 2.527 9.112 2.151 1.00 1.15 C ATOM 440 C THR A 27 1.740 8.972 0.830 1.00 1.12 C ATOM 441 O THR A 27 0.880 9.778 0.526 1.00 1.12 O ATOM 442 CB THR A 27 3.878 9.803 1.901 1.00 1.23 C ATOM 443 OG1 THR A 27 4.438 10.194 3.147 1.00 1.27 O ATOM 444 CG2 THR A 27 3.681 11.044 1.025 1.00 1.27 C ATOM 0 H THR A 27 3.743 7.480 2.808 1.00 1.11 H new ATOM 0 HA THR A 27 1.935 9.718 2.837 1.00 1.15 H new ATOM 0 HB THR A 27 4.546 9.109 1.391 1.00 1.23 H new ATOM 0 HG1 THR A 27 4.706 9.397 3.650 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.644 11.525 0.854 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.248 10.750 0.069 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.011 11.741 1.527 1.00 1.27 H new ATOM 452 N PHE A 28 2.014 7.962 0.045 1.00 1.10 N ATOM 453 CA PHE A 28 1.266 7.798 -1.246 1.00 1.07 C ATOM 454 C PHE A 28 -0.224 7.578 -0.928 1.00 1.01 C ATOM 455 O PHE A 28 -1.103 8.220 -1.499 1.00 1.02 O ATOM 456 CB PHE A 28 1.880 6.618 -2.050 1.00 1.05 C ATOM 457 CG PHE A 28 0.860 5.951 -2.955 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.326 6.650 -4.047 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.443 4.638 -2.694 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.627 6.036 -4.869 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.505 4.026 -3.521 1.00 0.96 C ATOM 462 CZ PHE A 28 -1.042 4.726 -4.606 1.00 1.00 C ATOM 0 H PHE A 28 2.716 7.247 0.236 1.00 1.10 H new ATOM 0 HA PHE A 28 1.350 8.691 -1.865 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.713 6.984 -2.651 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.286 5.881 -1.358 1.00 1.05 H new ATOM 0 HD1 PHE A 28 0.649 7.660 -4.254 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.854 4.098 -1.854 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -1.043 6.575 -5.708 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.822 3.013 -3.322 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.778 4.255 -5.241 1.00 1.00 H new ATOM 472 N VAL A 29 -0.531 6.704 -0.005 1.00 0.97 N ATOM 473 CA VAL A 29 -1.968 6.501 0.335 1.00 0.92 C ATOM 474 C VAL A 29 -2.503 7.788 0.983 1.00 0.95 C ATOM 475 O VAL A 29 -3.567 8.259 0.649 1.00 0.94 O ATOM 476 CB VAL A 29 -2.132 5.310 1.299 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.541 4.711 1.157 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.087 4.236 0.973 1.00 0.85 C ATOM 0 H VAL A 29 0.135 6.134 0.517 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.532 6.279 -0.571 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.991 5.659 2.322 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.649 3.870 1.841 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.285 5.471 1.395 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.689 4.367 0.133 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.205 3.395 1.656 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.225 3.893 -0.052 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.087 4.656 1.083 1.00 0.85 H new ATOM 488 N ASN A 30 -1.755 8.366 1.895 1.00 0.99 N ATOM 489 CA ASN A 30 -2.195 9.630 2.559 1.00 1.03 C ATOM 490 C ASN A 30 -2.499 10.655 1.483 1.00 1.06 C ATOM 491 O ASN A 30 -3.158 11.635 1.715 1.00 1.09 O ATOM 492 CB ASN A 30 -1.072 10.171 3.461 1.00 1.08 C ATOM 493 CG ASN A 30 -1.660 10.876 4.683 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.722 12.088 4.737 1.00 1.11 O ATOM 495 ND2 ASN A 30 -2.094 10.151 5.671 1.00 1.06 N ATOM 0 H ASN A 30 -0.852 8.011 2.208 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.078 9.436 3.167 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.428 9.352 3.781 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.448 10.865 2.898 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -2.489 10.599 6.497 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.039 9.134 5.620 1.00 1.06 H new ATOM 502 N LYS A 31 -2.000 10.439 0.308 1.00 1.07 N ATOM 503 CA LYS A 31 -2.241 11.406 -0.778 1.00 1.11 C ATOM 504 C LYS A 31 -3.648 11.182 -1.308 1.00 1.06 C ATOM 505 O LYS A 31 -4.478 12.075 -1.294 1.00 1.08 O ATOM 506 CB LYS A 31 -1.202 11.178 -1.892 1.00 1.13 C ATOM 507 CG LYS A 31 -0.984 12.470 -2.691 1.00 1.18 C ATOM 508 CD LYS A 31 0.162 12.268 -3.689 1.00 1.19 C ATOM 509 CE LYS A 31 0.644 13.626 -4.205 1.00 1.23 C ATOM 510 NZ LYS A 31 1.477 14.284 -3.160 1.00 1.29 N ATOM 0 H LYS A 31 -1.433 9.630 0.054 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.147 12.430 -0.417 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.259 10.848 -1.457 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.541 10.384 -2.557 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -1.897 12.741 -3.220 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -0.751 13.293 -2.015 1.00 1.18 H new ATOM 0 HD2 LYS A 31 0.985 11.738 -3.210 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.173 11.650 -4.522 1.00 1.19 H new ATOM 0 HE2 LYS A 31 1.223 13.496 -5.119 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -0.209 14.256 -4.456 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 2.034 15.049 -3.591 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 0.860 14.679 -2.422 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 2.119 13.584 -2.737 1.00 1.29 H new ATOM 524 N HIS A 32 -3.949 9.990 -1.744 1.00 1.01 N ATOM 525 CA HIS A 32 -5.269 9.725 -2.241 1.00 0.97 C ATOM 526 C HIS A 32 -6.236 9.797 -1.065 1.00 0.95 C ATOM 527 O HIS A 32 -7.414 10.004 -1.226 1.00 0.95 O ATOM 528 CB HIS A 32 -5.214 8.333 -2.867 1.00 0.91 C ATOM 529 CG HIS A 32 -5.154 8.430 -4.369 1.00 0.93 C ATOM 530 ND1 HIS A 32 -4.327 7.614 -5.121 1.00 0.89 N ATOM 531 CD2 HIS A 32 -5.779 9.260 -5.265 1.00 0.98 C ATOM 532 CE1 HIS A 32 -4.470 7.970 -6.408 1.00 0.93 C ATOM 533 NE2 HIS A 32 -5.341 8.969 -6.550 1.00 0.98 N ATOM 0 H HIS A 32 -3.308 9.197 -1.765 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.608 10.442 -2.988 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.341 7.796 -2.497 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -6.091 7.759 -2.569 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -6.500 10.022 -5.010 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -3.944 7.504 -7.228 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -5.625 9.423 -7.418 1.00 0.98 H new ATOM 541 N LEU A 33 -5.724 9.671 0.123 1.00 0.95 N ATOM 542 CA LEU A 33 -6.588 9.785 1.324 1.00 0.94 C ATOM 543 C LEU A 33 -6.671 11.272 1.636 1.00 1.01 C ATOM 544 O LEU A 33 -7.732 11.806 1.887 1.00 1.02 O ATOM 545 CB LEU A 33 -5.972 8.996 2.484 1.00 0.92 C ATOM 546 CG LEU A 33 -6.495 7.543 2.492 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.537 6.649 3.285 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.876 7.476 3.157 1.00 0.84 C ATOM 0 H LEU A 33 -4.738 9.493 0.314 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.583 9.372 1.160 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.886 8.997 2.395 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.214 9.481 3.430 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.565 7.201 1.459 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.912 5.625 3.287 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.550 6.673 2.823 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.466 7.011 4.311 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.231 6.446 3.155 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.803 7.833 4.184 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.577 8.102 2.605 1.00 0.84 H new ATOM 560 N ASN A 34 -5.555 11.957 1.586 1.00 1.05 N ATOM 561 CA ASN A 34 -5.587 13.424 1.841 1.00 1.12 C ATOM 562 C ASN A 34 -6.729 14.065 1.026 1.00 1.14 C ATOM 563 O ASN A 34 -7.300 15.049 1.450 1.00 1.18 O ATOM 564 CB ASN A 34 -4.240 14.058 1.446 1.00 1.18 C ATOM 565 CG ASN A 34 -4.388 15.579 1.303 1.00 1.25 C ATOM 566 OD1 ASN A 34 -5.059 16.213 2.092 1.00 1.26 O ATOM 567 ND2 ASN A 34 -3.785 16.191 0.320 1.00 1.29 N ATOM 0 H ASN A 34 -4.635 11.567 1.382 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.760 13.599 2.903 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.487 13.828 2.200 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.891 13.630 0.506 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -3.878 17.201 0.215 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -3.221 15.659 -0.343 1.00 1.29 H new ATOM 574 N LYS A 35 -7.085 13.542 -0.138 1.00 1.11 N ATOM 575 CA LYS A 35 -8.209 14.206 -0.891 1.00 1.13 C ATOM 576 C LYS A 35 -9.396 14.367 0.055 1.00 1.11 C ATOM 577 O LYS A 35 -9.826 15.463 0.354 1.00 1.16 O ATOM 578 CB LYS A 35 -8.644 13.360 -2.092 1.00 1.10 C ATOM 579 CG LYS A 35 -7.428 12.740 -2.761 1.00 0.97 C ATOM 580 CD LYS A 35 -6.446 13.831 -3.209 1.00 1.01 C ATOM 581 CE LYS A 35 -5.288 13.191 -3.989 1.00 1.10 C ATOM 582 NZ LYS A 35 -4.897 14.081 -5.117 1.00 1.15 N ATOM 0 H LYS A 35 -6.667 12.723 -0.580 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.865 15.173 -1.257 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -9.329 12.577 -1.766 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.186 13.980 -2.807 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -6.933 12.059 -2.069 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -7.741 12.149 -3.621 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.959 14.562 -3.834 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.061 14.367 -2.341 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -4.437 13.028 -3.328 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -5.588 12.214 -4.369 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -4.113 13.648 -5.645 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -5.710 14.215 -5.752 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -4.595 15.003 -4.743 1.00 1.15 H new ATOM 596 N LEU A 36 -9.903 13.277 0.556 1.00 1.04 N ATOM 597 CA LEU A 36 -11.035 13.359 1.517 1.00 1.02 C ATOM 598 C LEU A 36 -10.478 13.870 2.846 1.00 1.05 C ATOM 599 O LEU A 36 -11.134 13.853 3.867 1.00 1.03 O ATOM 600 CB LEU A 36 -11.628 11.965 1.715 1.00 0.95 C ATOM 601 CG LEU A 36 -13.055 12.071 2.298 1.00 0.94 C ATOM 602 CD1 LEU A 36 -14.073 12.241 1.161 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.390 10.798 3.088 1.00 0.89 C ATOM 0 H LEU A 36 -9.582 12.333 0.341 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.812 14.027 1.145 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.654 11.434 0.763 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.995 11.384 2.386 1.00 0.95 H new ATOM 0 HG LEU A 36 -13.102 12.935 2.960 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -15.077 12.315 1.579 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.845 13.148 0.601 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.021 11.381 0.494 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.397 10.878 3.497 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.335 9.934 2.426 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.676 10.677 3.903 1.00 0.89 H new ATOM 615 N ASN A 37 -9.250 14.295 2.809 1.00 1.11 N ATOM 616 CA ASN A 37 -8.552 14.808 4.009 1.00 1.16 C ATOM 617 C ASN A 37 -8.686 13.836 5.167 1.00 1.11 C ATOM 618 O ASN A 37 -9.379 14.071 6.136 1.00 1.12 O ATOM 619 CB ASN A 37 -9.074 16.188 4.377 1.00 1.22 C ATOM 620 CG ASN A 37 -10.501 16.119 4.927 1.00 1.19 C ATOM 621 OD1 ASN A 37 -10.703 15.996 6.119 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.508 16.211 4.101 1.00 1.21 N ATOM 0 H ASN A 37 -8.683 14.307 1.961 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.490 14.901 3.781 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.418 16.640 5.121 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.052 16.833 3.498 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -12.464 16.180 4.456 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.339 16.314 3.100 1.00 1.21 H new ATOM 629 N LEU A 38 -7.987 12.743 5.062 1.00 1.06 N ATOM 630 CA LEU A 38 -8.000 11.703 6.141 1.00 1.02 C ATOM 631 C LEU A 38 -6.567 11.529 6.655 1.00 1.02 C ATOM 632 O LEU A 38 -5.760 12.433 6.568 1.00 1.06 O ATOM 633 CB LEU A 38 -8.519 10.381 5.568 1.00 0.98 C ATOM 634 CG LEU A 38 -10.040 10.452 5.349 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.494 9.201 4.581 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.780 10.531 6.704 1.00 1.02 C ATOM 0 H LEU A 38 -7.395 12.517 4.263 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.652 12.008 6.959 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.019 10.165 4.624 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.281 9.564 6.249 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.277 11.347 4.775 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.571 9.243 4.421 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -9.986 9.161 3.618 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.247 8.310 5.158 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.855 10.581 6.529 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.549 9.646 7.297 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.459 11.422 7.243 1.00 1.02 H new ATOM 648 N GLU A 39 -6.237 10.389 7.193 1.00 1.02 N ATOM 649 CA GLU A 39 -4.850 10.197 7.706 1.00 1.03 C ATOM 650 C GLU A 39 -4.579 8.718 8.004 1.00 0.98 C ATOM 651 O GLU A 39 -5.194 8.123 8.867 1.00 0.95 O ATOM 652 CB GLU A 39 -4.666 11.011 8.989 1.00 1.08 C ATOM 653 CG GLU A 39 -3.235 10.839 9.502 1.00 1.11 C ATOM 654 CD GLU A 39 -2.980 11.818 10.650 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.255 11.458 11.782 1.00 1.13 O ATOM 656 OE2 GLU A 39 -2.514 12.912 10.376 1.00 1.24 O ATOM 0 H GLU A 39 -6.860 9.588 7.300 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.148 10.534 6.943 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.870 12.064 8.796 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.377 10.682 9.746 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -3.081 9.815 9.843 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.525 11.017 8.695 1.00 1.11 H new ATOM 663 N VAL A 40 -3.641 8.129 7.304 1.00 0.98 N ATOM 664 CA VAL A 40 -3.289 6.690 7.541 1.00 0.94 C ATOM 665 C VAL A 40 -1.977 6.638 8.336 1.00 0.95 C ATOM 666 O VAL A 40 -1.223 7.592 8.354 1.00 0.99 O ATOM 667 CB VAL A 40 -3.118 5.993 6.183 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.275 6.880 5.245 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.440 4.626 6.374 1.00 0.89 C ATOM 0 H VAL A 40 -3.098 8.586 6.571 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.074 6.184 8.103 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.099 5.836 5.735 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.156 6.382 4.283 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.778 7.836 5.099 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.294 7.050 5.689 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.323 4.139 5.406 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.460 4.766 6.830 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.056 4.002 7.022 1.00 0.89 H new ATOM 679 N THR A 41 -1.700 5.544 9.008 1.00 0.93 N ATOM 680 CA THR A 41 -0.436 5.458 9.816 1.00 0.95 C ATOM 681 C THR A 41 0.178 4.055 9.738 1.00 0.91 C ATOM 682 O THR A 41 1.298 3.852 10.165 1.00 0.96 O ATOM 683 CB THR A 41 -0.763 5.760 11.290 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.932 6.565 11.356 1.00 1.12 O ATOM 685 CG2 THR A 41 0.402 6.499 11.959 1.00 1.20 C ATOM 0 H THR A 41 -2.289 4.712 9.033 1.00 0.93 H new ATOM 0 HA THR A 41 0.276 6.179 9.414 1.00 0.95 H new ATOM 0 HB THR A 41 -0.928 4.819 11.814 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.144 6.758 12.293 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.153 6.704 13.000 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.298 5.880 11.915 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.584 7.439 11.438 1.00 1.20 H new ATOM 693 N GLU A 42 -0.542 3.079 9.243 1.00 0.86 N ATOM 694 CA GLU A 42 0.018 1.690 9.193 1.00 0.83 C ATOM 695 C GLU A 42 -0.232 1.065 7.820 1.00 0.81 C ATOM 696 O GLU A 42 -1.170 0.319 7.631 1.00 0.88 O ATOM 697 CB GLU A 42 -0.663 0.845 10.280 1.00 0.78 C ATOM 698 CG GLU A 42 0.198 -0.378 10.612 1.00 0.77 C ATOM 699 CD GLU A 42 -0.426 -1.135 11.786 1.00 0.78 C ATOM 700 OE1 GLU A 42 -1.542 -0.805 12.152 1.00 0.83 O ATOM 701 OE2 GLU A 42 0.223 -2.032 12.299 1.00 0.84 O ATOM 0 H GLU A 42 -1.487 3.181 8.873 1.00 0.86 H new ATOM 0 HA GLU A 42 1.094 1.725 9.365 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -0.816 1.446 11.176 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -1.648 0.525 9.939 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.273 -1.031 9.742 1.00 0.77 H new ATOM 0 HG3 GLU A 42 1.211 -0.066 10.864 1.00 0.77 H new ATOM 708 N LEU A 43 0.610 1.346 6.864 1.00 0.80 N ATOM 709 CA LEU A 43 0.416 0.749 5.516 1.00 0.78 C ATOM 710 C LEU A 43 0.319 -0.768 5.671 1.00 0.74 C ATOM 711 O LEU A 43 -0.506 -1.420 5.064 1.00 0.70 O ATOM 712 CB LEU A 43 1.614 1.123 4.625 1.00 0.86 C ATOM 713 CG LEU A 43 1.551 0.425 3.251 1.00 0.83 C ATOM 714 CD1 LEU A 43 1.914 -1.076 3.351 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.149 0.592 2.645 1.00 0.90 C ATOM 0 H LEU A 43 1.419 1.960 6.958 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.496 1.125 5.053 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.637 2.203 4.482 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.541 0.849 5.129 1.00 0.86 H new ATOM 0 HG LEU A 43 2.288 0.898 2.602 1.00 0.83 H new ATOM 0 HD11 LEU A 43 1.858 -1.531 2.362 1.00 0.85 H new ATOM 0 HD12 LEU A 43 2.926 -1.180 3.741 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.214 -1.576 4.021 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.111 0.097 1.675 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.590 0.145 3.310 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -0.069 1.653 2.520 1.00 0.90 H new ATOM 727 N GLU A 44 1.174 -1.338 6.468 1.00 0.79 N ATOM 728 CA GLU A 44 1.155 -2.820 6.650 1.00 0.77 C ATOM 729 C GLU A 44 -0.267 -3.335 6.959 1.00 0.69 C ATOM 730 O GLU A 44 -0.834 -4.137 6.236 1.00 0.70 O ATOM 731 CB GLU A 44 2.097 -3.201 7.818 1.00 0.83 C ATOM 732 CG GLU A 44 2.996 -2.023 8.177 1.00 0.84 C ATOM 733 CD GLU A 44 4.014 -2.458 9.234 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.978 -3.615 9.620 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.811 -1.628 9.639 1.00 1.14 O ATOM 0 H GLU A 44 1.888 -0.844 7.004 1.00 0.79 H new ATOM 0 HA GLU A 44 1.490 -3.281 5.721 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.509 -3.497 8.687 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.706 -4.060 7.538 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.512 -1.662 7.287 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.395 -1.196 8.555 1.00 0.84 H new ATOM 742 N THR A 45 -0.827 -2.903 8.047 1.00 0.65 N ATOM 743 CA THR A 45 -2.183 -3.390 8.438 1.00 0.60 C ATOM 744 C THR A 45 -3.269 -2.714 7.608 1.00 0.58 C ATOM 745 O THR A 45 -4.438 -3.004 7.763 1.00 0.58 O ATOM 746 CB THR A 45 -2.427 -3.092 9.919 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.396 -1.689 10.129 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.342 -3.762 10.762 1.00 0.64 C ATOM 0 H THR A 45 -0.407 -2.231 8.689 1.00 0.65 H new ATOM 0 HA THR A 45 -2.224 -4.464 8.258 1.00 0.60 H new ATOM 0 HB THR A 45 -3.402 -3.481 10.213 1.00 0.65 H new ATOM 0 HG1 THR A 45 -2.343 -1.503 11.090 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.517 -3.549 11.817 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.369 -4.840 10.600 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.365 -3.376 10.471 1.00 0.64 H new ATOM 756 N GLN A 46 -2.916 -1.830 6.720 1.00 0.59 N ATOM 757 CA GLN A 46 -3.963 -1.177 5.905 1.00 0.59 C ATOM 758 C GLN A 46 -4.442 -2.183 4.876 1.00 0.54 C ATOM 759 O GLN A 46 -5.512 -2.058 4.314 1.00 0.58 O ATOM 760 CB GLN A 46 -3.408 0.072 5.219 1.00 0.65 C ATOM 761 CG GLN A 46 -3.384 1.248 6.225 1.00 0.66 C ATOM 762 CD GLN A 46 -4.607 2.152 6.023 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.812 2.682 4.950 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.429 2.350 7.017 1.00 1.04 N ATOM 0 H GLN A 46 -1.958 -1.537 6.528 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.792 -0.861 6.538 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.402 -0.122 4.846 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.023 0.330 4.357 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.374 0.862 7.244 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.470 1.828 6.094 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.256 1.904 7.918 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.244 2.950 6.893 1.00 1.04 H new ATOM 773 N PHE A 47 -3.663 -3.212 4.653 1.00 0.50 N ATOM 774 CA PHE A 47 -4.069 -4.260 3.701 1.00 0.49 C ATOM 775 C PHE A 47 -4.692 -5.359 4.524 1.00 0.46 C ATOM 776 O PHE A 47 -5.419 -6.201 4.037 1.00 0.49 O ATOM 777 CB PHE A 47 -2.846 -4.789 2.963 1.00 0.54 C ATOM 778 CG PHE A 47 -2.536 -3.898 1.779 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.287 -2.534 1.977 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.500 -4.434 0.486 1.00 0.71 C ATOM 781 CE1 PHE A 47 -2.002 -1.709 0.882 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.215 -3.608 -0.608 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.966 -2.246 -0.410 1.00 0.89 C ATOM 0 H PHE A 47 -2.758 -3.361 5.099 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.768 -3.877 2.958 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -1.990 -4.824 3.637 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.027 -5.809 2.624 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.315 -2.119 2.974 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.692 -5.486 0.332 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.810 -0.657 1.035 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.187 -4.023 -1.605 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.746 -1.609 -1.254 1.00 0.89 H new ATOM 793 N ALA A 48 -4.443 -5.312 5.793 1.00 0.42 N ATOM 794 CA ALA A 48 -5.051 -6.307 6.702 1.00 0.40 C ATOM 795 C ALA A 48 -6.496 -5.898 6.870 1.00 0.36 C ATOM 796 O ALA A 48 -7.096 -6.058 7.913 1.00 0.36 O ATOM 797 CB ALA A 48 -4.335 -6.297 8.053 1.00 0.42 C ATOM 0 H ALA A 48 -3.841 -4.623 6.243 1.00 0.42 H new ATOM 0 HA ALA A 48 -4.969 -7.316 6.298 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -4.793 -7.034 8.713 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.283 -6.543 7.909 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.418 -5.307 8.502 1.00 0.42 H new ATOM 803 N ASP A 49 -7.040 -5.329 5.838 1.00 0.34 N ATOM 804 CA ASP A 49 -8.433 -4.851 5.903 1.00 0.32 C ATOM 805 C ASP A 49 -8.905 -4.508 4.476 1.00 0.31 C ATOM 806 O ASP A 49 -10.085 -4.448 4.198 1.00 0.31 O ATOM 807 CB ASP A 49 -8.433 -3.583 6.788 1.00 0.32 C ATOM 808 CG ASP A 49 -9.455 -3.692 7.925 1.00 0.33 C ATOM 809 OD1 ASP A 49 -9.573 -4.767 8.489 1.00 0.34 O ATOM 810 OD2 ASP A 49 -10.103 -2.698 8.210 1.00 0.36 O ATOM 0 H ASP A 49 -6.571 -5.175 4.945 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.102 -5.604 6.319 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -7.438 -3.429 7.205 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.660 -2.710 6.176 1.00 0.32 H new ATOM 815 N GLY A 50 -7.980 -4.281 3.577 1.00 0.32 N ATOM 816 CA GLY A 50 -8.354 -3.926 2.170 1.00 0.33 C ATOM 817 C GLY A 50 -9.412 -2.801 2.141 1.00 0.33 C ATOM 818 O GLY A 50 -9.894 -2.419 1.087 1.00 0.34 O ATOM 0 H GLY A 50 -6.977 -4.326 3.756 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.466 -3.608 1.624 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.743 -4.808 1.661 1.00 0.33 H new ATOM 822 N VAL A 51 -9.784 -2.263 3.275 1.00 0.33 N ATOM 823 CA VAL A 51 -10.812 -1.178 3.276 1.00 0.36 C ATOM 824 C VAL A 51 -10.173 0.143 2.864 1.00 0.40 C ATOM 825 O VAL A 51 -10.541 0.742 1.872 1.00 0.42 O ATOM 826 CB VAL A 51 -11.378 -1.010 4.682 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.549 -0.022 4.640 1.00 0.43 C ATOM 828 CG2 VAL A 51 -11.858 -2.365 5.228 1.00 0.36 C ATOM 0 H VAL A 51 -9.424 -2.525 4.193 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.603 -1.448 2.576 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.598 -0.626 5.340 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.957 0.101 5.643 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -12.199 0.942 4.270 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.325 -0.405 3.977 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.260 -2.231 6.232 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.635 -2.765 4.577 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.020 -3.061 5.262 1.00 0.36 H new ATOM 838 N TYR A 52 -9.211 0.603 3.618 1.00 0.41 N ATOM 839 CA TYR A 52 -8.548 1.885 3.264 1.00 0.47 C ATOM 840 C TYR A 52 -8.107 1.807 1.809 1.00 0.47 C ATOM 841 O TYR A 52 -7.798 2.801 1.179 1.00 0.51 O ATOM 842 CB TYR A 52 -7.330 2.100 4.164 1.00 0.49 C ATOM 843 CG TYR A 52 -7.757 2.042 5.611 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.347 3.161 6.213 1.00 0.57 C ATOM 845 CD2 TYR A 52 -7.568 0.868 6.352 1.00 0.48 C ATOM 846 CE1 TYR A 52 -8.747 3.107 7.553 1.00 0.60 C ATOM 847 CE2 TYR A 52 -7.968 0.814 7.693 1.00 0.51 C ATOM 848 CZ TYR A 52 -8.557 1.933 8.294 1.00 0.57 C ATOM 849 OH TYR A 52 -8.953 1.879 9.615 1.00 0.60 O ATOM 0 H TYR A 52 -8.859 0.147 4.460 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.237 2.718 3.403 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.578 1.337 3.965 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.870 3.064 3.948 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -8.493 4.066 5.642 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -7.114 0.005 5.889 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -9.202 3.970 8.016 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -7.822 -0.091 8.264 1.00 0.51 H new ATOM 0 HH TYR A 52 -8.750 0.993 9.981 1.00 0.60 H new ATOM 859 N LEU A 53 -8.090 0.621 1.266 1.00 0.43 N ATOM 860 CA LEU A 53 -7.681 0.464 -0.158 1.00 0.44 C ATOM 861 C LEU A 53 -8.858 0.834 -1.056 1.00 0.45 C ATOM 862 O LEU A 53 -8.726 1.643 -1.952 1.00 0.50 O ATOM 863 CB LEU A 53 -7.249 -0.982 -0.428 1.00 0.41 C ATOM 864 CG LEU A 53 -5.814 -1.190 0.069 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.765 -0.987 1.589 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.339 -2.609 -0.291 1.00 0.46 C ATOM 0 H LEU A 53 -8.341 -0.244 1.745 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.837 1.121 -0.369 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.923 -1.674 0.076 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.310 -1.198 -1.495 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.155 -0.466 -0.410 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.745 -1.135 1.943 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -6.090 0.025 1.832 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -6.425 -1.706 2.074 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.319 -2.752 0.064 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.994 -3.342 0.180 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -5.368 -2.739 -1.373 1.00 0.46 H new ATOM 878 N VAL A 54 -10.018 0.272 -0.831 1.00 0.43 N ATOM 879 CA VAL A 54 -11.170 0.648 -1.695 1.00 0.46 C ATOM 880 C VAL A 54 -11.285 2.178 -1.702 1.00 0.51 C ATOM 881 O VAL A 54 -11.673 2.786 -2.685 1.00 0.55 O ATOM 882 CB VAL A 54 -12.451 0.029 -1.141 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.635 0.435 -2.020 1.00 0.49 C ATOM 884 CG2 VAL A 54 -12.316 -1.499 -1.129 1.00 0.41 C ATOM 0 H VAL A 54 -10.213 -0.415 -0.103 1.00 0.43 H new ATOM 0 HA VAL A 54 -11.019 0.281 -2.710 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.618 0.385 -0.124 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.550 -0.007 -1.625 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.729 1.521 -2.025 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -13.471 0.081 -3.038 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -13.230 -1.942 -0.734 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -12.149 -1.857 -2.145 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.473 -1.785 -0.500 1.00 0.41 H new ATOM 894 N LEU A 55 -10.919 2.806 -0.614 1.00 0.52 N ATOM 895 CA LEU A 55 -10.978 4.292 -0.561 1.00 0.58 C ATOM 896 C LEU A 55 -9.986 4.843 -1.589 1.00 0.62 C ATOM 897 O LEU A 55 -10.348 5.591 -2.462 1.00 0.66 O ATOM 898 CB LEU A 55 -10.594 4.778 0.859 1.00 0.59 C ATOM 899 CG LEU A 55 -11.859 5.052 1.697 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.524 4.966 3.189 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.395 6.456 1.387 1.00 0.67 C ATOM 0 H LEU A 55 -10.583 2.353 0.236 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.985 4.642 -0.787 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.979 4.026 1.353 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.993 5.685 0.789 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.614 4.307 1.447 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.422 5.161 3.775 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.148 3.969 3.421 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -10.763 5.707 3.434 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.289 6.644 1.982 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -11.634 7.198 1.631 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.643 6.525 0.328 1.00 0.67 H new ATOM 913 N LEU A 56 -8.739 4.456 -1.491 1.00 0.62 N ATOM 914 CA LEU A 56 -7.703 4.934 -2.461 1.00 0.66 C ATOM 915 C LEU A 56 -8.295 4.915 -3.876 1.00 0.67 C ATOM 916 O LEU A 56 -8.208 5.871 -4.622 1.00 0.72 O ATOM 917 CB LEU A 56 -6.478 3.990 -2.345 1.00 0.65 C ATOM 918 CG LEU A 56 -5.659 3.910 -3.648 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.132 5.292 -4.029 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.470 2.973 -3.426 1.00 0.66 C ATOM 0 H LEU A 56 -8.390 3.822 -0.772 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.390 5.955 -2.244 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.834 4.336 -1.537 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.820 2.991 -2.074 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.298 3.538 -4.449 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.555 5.220 -4.951 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.970 5.973 -4.177 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.494 5.671 -3.231 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.882 2.908 -4.342 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.846 3.361 -2.621 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.834 1.981 -3.157 1.00 0.66 H new ATOM 932 N MET A 57 -8.893 3.825 -4.237 1.00 0.62 N ATOM 933 CA MET A 57 -9.491 3.703 -5.599 1.00 0.63 C ATOM 934 C MET A 57 -10.518 4.815 -5.856 1.00 0.68 C ATOM 935 O MET A 57 -10.596 5.352 -6.943 1.00 0.72 O ATOM 936 CB MET A 57 -10.180 2.343 -5.729 1.00 0.58 C ATOM 937 CG MET A 57 -9.173 1.225 -5.450 1.00 0.55 C ATOM 938 SD MET A 57 -9.836 -0.346 -6.059 1.00 0.60 S ATOM 939 CE MET A 57 -8.279 -1.269 -6.054 1.00 0.57 C ATOM 0 H MET A 57 -8.998 3.000 -3.646 1.00 0.62 H new ATOM 0 HA MET A 57 -8.691 3.795 -6.334 1.00 0.63 H new ATOM 0 HB2 MET A 57 -11.013 2.278 -5.029 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.596 2.229 -6.730 1.00 0.58 H new ATOM 0 HG2 MET A 57 -8.224 1.445 -5.938 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.974 1.158 -4.380 1.00 0.55 H new ATOM 0 HE1 MET A 57 -8.432 -2.244 -6.517 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.526 -0.715 -6.615 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.940 -1.405 -5.027 1.00 0.57 H new ATOM 949 N GLY A 58 -11.330 5.147 -4.889 1.00 0.67 N ATOM 950 CA GLY A 58 -12.366 6.202 -5.127 1.00 0.73 C ATOM 951 C GLY A 58 -11.758 7.607 -5.112 1.00 0.79 C ATOM 952 O GLY A 58 -12.060 8.431 -5.953 1.00 0.84 O ATOM 0 H GLY A 58 -11.325 4.741 -3.953 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.851 6.026 -6.087 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -13.139 6.132 -4.362 1.00 0.73 H new ATOM 956 N LEU A 59 -10.918 7.888 -4.170 1.00 0.79 N ATOM 957 CA LEU A 59 -10.297 9.238 -4.094 1.00 0.86 C ATOM 958 C LEU A 59 -9.449 9.437 -5.340 1.00 0.88 C ATOM 959 O LEU A 59 -9.121 10.541 -5.727 1.00 0.94 O ATOM 960 CB LEU A 59 -9.490 9.348 -2.791 1.00 0.86 C ATOM 961 CG LEU A 59 -10.395 8.829 -1.650 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.663 8.889 -0.324 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.675 9.680 -1.570 1.00 0.87 C ATOM 0 H LEU A 59 -10.628 7.238 -3.439 1.00 0.79 H new ATOM 0 HA LEU A 59 -11.045 10.030 -4.068 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.575 8.760 -2.854 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -9.193 10.381 -2.608 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.659 7.793 -1.861 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.314 8.520 0.468 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.767 8.270 -0.375 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.380 9.920 -0.111 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.309 9.309 -0.764 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.410 10.719 -1.374 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -12.215 9.615 -2.515 1.00 0.87 H new ATOM 975 N LEU A 60 -9.148 8.360 -5.999 1.00 0.84 N ATOM 976 CA LEU A 60 -8.379 8.446 -7.271 1.00 0.87 C ATOM 977 C LEU A 60 -9.372 8.875 -8.352 1.00 0.91 C ATOM 978 O LEU A 60 -9.131 9.792 -9.111 1.00 0.96 O ATOM 979 CB LEU A 60 -7.763 7.062 -7.584 1.00 0.82 C ATOM 980 CG LEU A 60 -7.276 6.930 -9.053 1.00 0.87 C ATOM 981 CD1 LEU A 60 -8.456 6.785 -10.044 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.399 8.130 -9.446 1.00 0.91 C ATOM 0 H LEU A 60 -9.402 7.415 -5.712 1.00 0.84 H new ATOM 0 HA LEU A 60 -7.560 9.163 -7.212 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.924 6.884 -6.912 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -8.503 6.288 -7.382 1.00 0.82 H new ATOM 0 HG LEU A 60 -6.680 6.019 -9.112 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -8.070 6.696 -11.059 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -9.033 5.894 -9.795 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -9.098 7.663 -9.976 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -6.069 8.017 -10.479 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -6.976 9.050 -9.348 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -5.530 8.175 -8.790 1.00 0.91 H new ATOM 994 N GLU A 61 -10.507 8.232 -8.405 1.00 0.87 N ATOM 995 CA GLU A 61 -11.531 8.615 -9.416 1.00 0.91 C ATOM 996 C GLU A 61 -11.891 10.091 -9.221 1.00 0.96 C ATOM 997 O GLU A 61 -12.108 10.816 -10.171 1.00 1.00 O ATOM 998 CB GLU A 61 -12.781 7.751 -9.230 1.00 0.86 C ATOM 999 CG GLU A 61 -12.533 6.356 -9.808 1.00 0.82 C ATOM 1000 CD GLU A 61 -13.772 5.485 -9.590 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -14.865 6.027 -9.622 1.00 0.74 O ATOM 1002 OE2 GLU A 61 -13.607 4.293 -9.393 1.00 0.77 O ATOM 0 H GLU A 61 -10.768 7.459 -7.793 1.00 0.87 H new ATOM 0 HA GLU A 61 -11.137 8.461 -10.421 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -13.030 7.678 -8.171 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -13.633 8.215 -9.727 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -12.308 6.427 -10.872 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.667 5.901 -9.328 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.946 10.543 -7.991 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.280 11.978 -7.722 1.00 1.01 C ATOM 1011 C GLY A 62 -13.747 12.114 -7.311 1.00 1.00 C ATOM 1012 O GLY A 62 -14.469 12.947 -7.821 1.00 1.03 O ATOM 0 H GLY A 62 -11.773 9.978 -7.159 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.637 12.366 -6.932 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.088 12.576 -8.613 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.283 -6.491 7.175 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.296 -7.540 7.505 1.00 0.35 C ATOM 1209 C PRO A 74 -13.625 -8.186 8.852 1.00 0.35 C ATOM 1210 O PRO A 74 -13.883 -7.507 9.825 1.00 0.40 O ATOM 1211 CB PRO A 74 -11.956 -6.781 7.531 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.156 -5.533 6.640 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.673 -5.244 6.639 1.00 0.47 C ATOM 0 HA PRO A 74 -13.282 -8.365 6.793 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.689 -6.495 8.548 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.147 -7.405 7.152 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.598 -4.682 7.031 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.794 -5.715 5.628 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.915 -4.383 7.262 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -14.036 -5.023 5.635 1.00 0.47 H new ATOM 1221 N ASP A 75 -13.641 -9.504 8.905 1.00 0.34 N ATOM 1222 CA ASP A 75 -13.984 -10.208 10.189 1.00 0.38 C ATOM 1223 C ASP A 75 -12.880 -11.200 10.570 1.00 0.36 C ATOM 1224 O ASP A 75 -12.487 -11.297 11.716 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.313 -10.970 9.983 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.190 -10.877 11.239 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.410 -9.771 11.704 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -16.625 -11.914 11.711 1.00 1.34 O ATOM 0 H ASP A 75 -13.432 -10.118 8.118 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.081 -9.477 10.992 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -15.847 -10.555 9.128 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.107 -12.015 9.753 1.00 0.46 H new ATOM 1233 N SER A 76 -12.414 -11.957 9.620 1.00 0.38 N ATOM 1234 CA SER A 76 -11.363 -12.990 9.897 1.00 0.41 C ATOM 1235 C SER A 76 -10.201 -12.834 8.921 1.00 0.39 C ATOM 1236 O SER A 76 -10.064 -11.848 8.240 1.00 0.37 O ATOM 1237 CB SER A 76 -11.976 -14.381 9.731 1.00 0.51 C ATOM 1238 OG SER A 76 -12.752 -14.413 8.541 1.00 0.54 O ATOM 0 H SER A 76 -12.717 -11.908 8.647 1.00 0.38 H new ATOM 0 HA SER A 76 -10.992 -12.861 10.914 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.190 -15.135 9.687 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.600 -14.621 10.592 1.00 0.51 H new ATOM 0 HG SER A 76 -13.145 -15.304 8.431 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.351 -13.803 8.868 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.197 -13.728 7.947 1.00 0.44 C ATOM 1246 C PHE A 77 -8.673 -13.935 6.536 1.00 0.48 C ATOM 1247 O PHE A 77 -8.469 -13.119 5.681 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.213 -14.835 8.322 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.057 -14.905 7.341 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.299 -13.762 7.057 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.732 -16.126 6.733 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.215 -13.841 6.164 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.657 -16.203 5.842 1.00 0.87 C ATOM 1254 CZ PHE A 77 -3.899 -15.062 5.560 1.00 0.90 C ATOM 0 H PHE A 77 -9.404 -14.654 9.428 1.00 0.42 H new ATOM 0 HA PHE A 77 -7.714 -12.754 8.022 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -6.829 -14.658 9.327 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -7.732 -15.793 8.344 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.547 -12.820 7.524 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.313 -17.009 6.953 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.628 -12.961 5.945 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.412 -17.144 5.372 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.067 -15.124 4.874 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.303 -15.020 6.295 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.800 -15.308 4.924 1.00 0.56 C ATOM 1266 C GLU A 78 -10.482 -14.070 4.330 1.00 0.53 C ATOM 1267 O GLU A 78 -10.255 -13.732 3.186 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.786 -16.501 4.992 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.332 -17.632 4.061 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.390 -18.736 4.043 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.343 -18.629 4.798 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -11.231 -19.670 3.274 1.00 1.04 O ATOM 0 H GLU A 78 -9.506 -15.740 6.989 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.963 -15.567 4.275 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.849 -16.869 6.016 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.785 -16.170 4.710 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.176 -17.247 3.053 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.377 -18.035 4.400 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.300 -13.375 5.074 1.00 0.46 N ATOM 1280 CA GLN A 79 -11.942 -12.182 4.468 1.00 0.45 C ATOM 1281 C GLN A 79 -10.863 -11.174 4.117 1.00 0.40 C ATOM 1282 O GLN A 79 -10.937 -10.503 3.117 1.00 0.41 O ATOM 1283 CB GLN A 79 -12.986 -11.541 5.396 1.00 0.49 C ATOM 1284 CG GLN A 79 -12.495 -11.477 6.824 1.00 0.49 C ATOM 1285 CD GLN A 79 -11.673 -10.211 7.062 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -11.351 -9.887 8.189 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -11.342 -9.460 6.050 1.00 0.45 N ATOM 0 H GLN A 79 -11.544 -13.575 6.044 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.475 -12.500 3.572 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.218 -10.535 5.045 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.912 -12.114 5.354 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -13.345 -11.497 7.506 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -11.889 -12.356 7.044 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -11.612 -9.731 5.104 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -10.813 -8.601 6.204 1.00 0.45 H new ATOM 1296 N LYS A 80 -9.861 -11.059 4.939 1.00 0.39 N ATOM 1297 CA LYS A 80 -8.770 -10.083 4.643 1.00 0.38 C ATOM 1298 C LYS A 80 -8.032 -10.532 3.378 1.00 0.39 C ATOM 1299 O LYS A 80 -7.881 -9.782 2.435 1.00 0.40 O ATOM 1300 CB LYS A 80 -7.772 -10.023 5.808 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.382 -9.278 6.995 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.303 -9.028 8.052 1.00 0.51 C ATOM 1303 CE LYS A 80 -7.934 -8.376 9.285 1.00 0.51 C ATOM 1304 NZ LYS A 80 -8.914 -7.339 8.853 1.00 1.03 N ATOM 0 H LYS A 80 -9.747 -11.594 5.800 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.207 -9.095 4.500 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.493 -11.033 6.109 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -6.858 -9.523 5.487 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -8.807 -8.331 6.663 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.197 -9.861 7.423 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -6.826 -9.968 8.329 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -6.524 -8.383 7.646 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -8.432 -9.131 9.894 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -7.161 -7.924 9.906 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -9.126 -6.708 9.652 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -8.511 -6.785 8.071 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -9.790 -7.800 8.535 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.567 -11.753 3.359 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.832 -12.261 2.166 1.00 0.47 C ATOM 1320 C VAL A 81 -7.651 -12.004 0.906 1.00 0.45 C ATOM 1321 O VAL A 81 -7.115 -11.835 -0.166 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.604 -13.765 2.308 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.729 -14.258 1.155 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -5.906 -14.055 3.636 1.00 0.56 C ATOM 0 H VAL A 81 -7.666 -12.422 4.122 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.875 -11.745 2.093 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.564 -14.280 2.284 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.566 -15.331 1.255 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.227 -14.054 0.207 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.770 -13.741 1.179 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.744 -15.128 3.735 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -4.946 -13.539 3.663 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.529 -13.704 4.459 1.00 0.56 H new ATOM 1334 N LEU A 82 -8.947 -11.988 1.024 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.803 -11.758 -0.180 1.00 0.44 C ATOM 1336 C LEU A 82 -9.908 -10.272 -0.471 1.00 0.38 C ATOM 1337 O LEU A 82 -9.816 -9.849 -1.596 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.204 -12.340 0.071 1.00 0.47 C ATOM 1339 CG LEU A 82 -11.924 -12.591 -1.271 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.517 -13.954 -1.846 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.441 -12.578 -1.051 1.00 0.54 C ATOM 0 H LEU A 82 -9.454 -12.124 1.899 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.352 -12.253 -1.040 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.124 -13.273 0.629 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.788 -11.652 0.682 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.641 -11.805 -1.971 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.032 -14.118 -2.792 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.440 -13.972 -2.011 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.790 -14.741 -1.143 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -13.948 -12.755 -2.000 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.713 -13.361 -0.343 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.743 -11.609 -0.654 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.100 -9.480 0.522 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.202 -8.030 0.286 1.00 0.32 C ATOM 1355 C ASN A 83 -8.917 -7.571 -0.416 1.00 0.31 C ATOM 1356 O ASN A 83 -8.919 -6.653 -1.218 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.376 -7.330 1.651 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.396 -6.195 1.541 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.080 -5.044 1.769 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.619 -6.483 1.198 1.00 0.36 N ATOM 0 H ASN A 83 -10.192 -9.773 1.495 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.055 -7.781 -0.345 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.705 -8.052 2.398 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.418 -6.935 1.989 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.315 -5.741 1.120 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.881 -7.450 1.007 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.816 -8.223 -0.130 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.530 -7.834 -0.788 1.00 0.37 C ATOM 1369 C VAL A 84 -6.383 -8.549 -2.117 1.00 0.39 C ATOM 1370 O VAL A 84 -5.837 -8.015 -3.047 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.332 -8.175 0.093 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.061 -7.702 -0.612 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.478 -7.457 1.439 1.00 0.40 C ATOM 0 H VAL A 84 -7.752 -9.002 0.526 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.555 -6.756 -0.947 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.279 -9.250 0.265 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.194 -7.938 0.005 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.970 -8.206 -1.574 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.112 -6.625 -0.770 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.625 -7.697 2.074 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.517 -6.380 1.275 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.396 -7.783 1.927 1.00 0.40 H new ATOM 1383 N SER A 85 -6.862 -9.747 -2.227 1.00 0.41 N ATOM 1384 CA SER A 85 -6.738 -10.453 -3.525 1.00 0.46 C ATOM 1385 C SER A 85 -7.556 -9.666 -4.536 1.00 0.42 C ATOM 1386 O SER A 85 -7.302 -9.670 -5.719 1.00 0.45 O ATOM 1387 CB SER A 85 -7.288 -11.876 -3.406 1.00 0.50 C ATOM 1388 OG SER A 85 -6.535 -12.590 -2.435 1.00 0.53 O ATOM 0 H SER A 85 -7.330 -10.266 -1.484 1.00 0.41 H new ATOM 0 HA SER A 85 -5.694 -10.521 -3.831 1.00 0.46 H new ATOM 0 HB2 SER A 85 -8.339 -11.849 -3.120 1.00 0.50 H new ATOM 0 HB3 SER A 85 -7.233 -12.382 -4.370 1.00 0.50 H new ATOM 0 HG SER A 85 -6.995 -12.551 -1.571 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.536 -8.977 -4.048 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.407 -8.164 -4.927 1.00 0.36 C ATOM 1396 C PHE A 86 -8.647 -6.916 -5.361 1.00 0.34 C ATOM 1397 O PHE A 86 -8.478 -6.645 -6.524 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.660 -7.762 -4.141 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.360 -6.576 -4.782 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.363 -6.420 -6.175 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.004 -5.631 -3.974 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.008 -5.323 -6.756 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.649 -4.534 -4.556 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.651 -4.380 -5.947 1.00 0.32 C ATOM 0 H PHE A 86 -8.776 -8.941 -3.057 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.696 -8.735 -5.809 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.346 -8.607 -4.090 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.384 -7.513 -3.116 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.867 -7.147 -6.800 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.003 -5.749 -2.900 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.010 -5.204 -7.829 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.145 -3.806 -3.932 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.149 -3.533 -6.396 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.186 -6.152 -4.427 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.432 -4.925 -4.799 1.00 0.33 C ATOM 1416 C ALA A 87 -6.290 -5.345 -5.721 1.00 0.38 C ATOM 1417 O ALA A 87 -5.918 -4.646 -6.642 1.00 0.39 O ATOM 1418 CB ALA A 87 -6.866 -4.263 -3.541 1.00 0.35 C ATOM 0 H ALA A 87 -8.294 -6.316 -3.426 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.086 -4.211 -5.300 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.315 -3.365 -3.819 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.684 -3.994 -2.872 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.196 -4.958 -3.034 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.762 -6.511 -5.484 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.668 -7.038 -6.316 1.00 0.48 C ATOM 1426 C PHE A 88 -5.251 -7.449 -7.652 1.00 0.48 C ATOM 1427 O PHE A 88 -4.549 -7.598 -8.622 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.067 -8.255 -5.615 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.126 -8.983 -6.546 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.649 -9.814 -7.539 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.741 -8.831 -6.414 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.789 -10.497 -8.405 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.879 -9.514 -7.281 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.405 -10.348 -8.277 1.00 0.74 C ATOM 0 H PHE A 88 -6.056 -7.129 -4.728 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.892 -6.288 -6.466 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.532 -7.940 -4.719 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.862 -8.927 -5.292 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.718 -9.929 -7.638 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.338 -8.188 -5.645 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -3.194 -11.140 -9.173 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.190 -9.398 -7.182 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.741 -10.876 -8.946 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.532 -7.674 -7.701 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.150 -8.106 -8.992 1.00 0.46 C ATOM 1446 C GLU A 89 -7.400 -6.874 -9.866 1.00 0.43 C ATOM 1447 O GLU A 89 -7.089 -6.861 -11.043 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.470 -8.847 -8.704 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.190 -10.337 -8.479 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.033 -11.045 -9.828 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.888 -10.855 -10.677 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -7.060 -11.762 -9.988 1.00 0.60 O ATOM 0 H GLU A 89 -7.175 -7.580 -6.915 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.480 -8.783 -9.522 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.952 -8.421 -7.824 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.159 -8.719 -9.539 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.284 -10.461 -7.886 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.005 -10.788 -7.914 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.932 -5.830 -9.299 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.175 -4.603 -10.098 1.00 0.37 C ATOM 1461 C LEU A 90 -6.819 -3.980 -10.401 1.00 0.41 C ATOM 1462 O LEU A 90 -6.669 -3.185 -11.308 1.00 0.42 O ATOM 1463 CB LEU A 90 -9.052 -3.629 -9.275 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.281 -3.177 -10.081 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.205 -2.359 -9.177 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -9.835 -2.311 -11.268 1.00 0.36 C ATOM 0 H LEU A 90 -8.208 -5.774 -8.319 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.696 -4.829 -11.028 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -9.375 -4.115 -8.354 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.462 -2.759 -8.986 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.810 -4.054 -10.454 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.078 -2.037 -9.745 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -11.526 -2.972 -8.335 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.670 -1.485 -8.806 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -10.710 -1.993 -11.836 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -9.304 -1.434 -10.899 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -9.174 -2.890 -11.913 1.00 0.36 H new ATOM 1478 N MET A 91 -5.826 -4.353 -9.647 1.00 0.43 N ATOM 1479 CA MET A 91 -4.464 -3.796 -9.889 1.00 0.49 C ATOM 1480 C MET A 91 -3.797 -4.623 -10.978 1.00 0.54 C ATOM 1481 O MET A 91 -3.273 -4.100 -11.941 1.00 0.58 O ATOM 1482 CB MET A 91 -3.641 -3.859 -8.605 1.00 0.52 C ATOM 1483 CG MET A 91 -4.091 -2.751 -7.646 1.00 0.48 C ATOM 1484 SD MET A 91 -3.552 -3.154 -5.966 1.00 0.55 S ATOM 1485 CE MET A 91 -3.971 -1.566 -5.206 1.00 0.60 C ATOM 0 H MET A 91 -5.895 -5.017 -8.876 1.00 0.43 H new ATOM 0 HA MET A 91 -4.534 -2.754 -10.202 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.762 -4.834 -8.132 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.582 -3.746 -8.835 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.670 -1.794 -7.955 1.00 0.48 H new ATOM 0 HG3 MET A 91 -5.176 -2.647 -7.677 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.717 -1.591 -4.146 1.00 0.60 H new ATOM 0 HE2 MET A 91 -3.410 -0.769 -5.695 1.00 0.60 H new ATOM 0 HE3 MET A 91 -5.039 -1.379 -5.318 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.838 -5.917 -10.847 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.234 -6.786 -11.889 1.00 0.62 C ATOM 1497 C GLN A 92 -3.829 -6.380 -13.232 1.00 0.61 C ATOM 1498 O GLN A 92 -3.208 -6.510 -14.269 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.562 -8.254 -11.597 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.806 -9.156 -12.577 1.00 0.66 C ATOM 1501 CD GLN A 92 -1.304 -9.074 -12.294 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -0.899 -8.764 -11.191 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -0.457 -9.340 -13.249 1.00 0.67 N ATOM 0 H GLN A 92 -4.264 -6.410 -10.063 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.150 -6.672 -11.901 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -3.285 -8.502 -10.572 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.635 -8.422 -11.687 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -3.149 -10.186 -12.479 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -3.011 -8.848 -13.602 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -0.797 -9.600 -14.175 1.00 0.67 H new ATOM 0 HE22 GLN A 92 0.546 -9.288 -13.070 1.00 0.67 H new ATOM 1512 N ASP A 93 -5.033 -5.864 -13.214 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.674 -5.420 -14.482 1.00 0.54 C ATOM 1514 C ASP A 93 -5.232 -3.989 -14.764 1.00 0.55 C ATOM 1515 O ASP A 93 -4.693 -3.681 -15.808 1.00 0.62 O ATOM 1516 CB ASP A 93 -7.205 -5.480 -14.316 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.872 -5.871 -15.640 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.301 -5.578 -16.677 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -8.942 -6.454 -15.591 1.00 0.75 O ATOM 0 H ASP A 93 -5.597 -5.733 -12.374 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.382 -6.064 -15.311 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.465 -6.203 -13.543 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.579 -4.511 -13.985 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.449 -3.119 -13.826 1.00 0.54 N ATOM 1525 CA GLY A 94 -5.037 -1.705 -14.016 1.00 0.61 C ATOM 1526 C GLY A 94 -3.528 -1.648 -14.268 1.00 0.73 C ATOM 1527 O GLY A 94 -2.971 -0.589 -14.480 1.00 0.82 O ATOM 0 H GLY A 94 -5.895 -3.325 -12.932 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.575 -1.267 -14.857 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.293 -1.118 -13.134 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.860 -2.783 -14.256 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.379 -2.797 -14.505 1.00 0.94 C ATOM 1533 C GLY A 95 -0.663 -3.626 -13.432 1.00 0.92 C ATOM 1534 O GLY A 95 -0.838 -4.824 -13.341 1.00 0.91 O ATOM 0 H GLY A 95 -3.277 -3.698 -14.085 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -1.174 -3.213 -15.491 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.994 -1.777 -14.502 1.00 0.94 H new ATOM 1538 N LEU A 96 0.156 -2.991 -12.630 1.00 0.92 N ATOM 1539 CA LEU A 96 0.906 -3.727 -11.569 1.00 0.91 C ATOM 1540 C LEU A 96 1.819 -4.765 -12.221 1.00 0.94 C ATOM 1541 O LEU A 96 3.016 -4.585 -12.324 1.00 0.95 O ATOM 1542 CB LEU A 96 -0.087 -4.410 -10.619 1.00 0.89 C ATOM 1543 CG LEU A 96 0.605 -4.764 -9.287 1.00 0.87 C ATOM 1544 CD1 LEU A 96 0.611 -3.550 -8.348 1.00 0.93 C ATOM 1545 CD2 LEU A 96 -0.149 -5.912 -8.607 1.00 0.86 C ATOM 0 H LEU A 96 0.337 -1.988 -12.666 1.00 0.92 H new ATOM 0 HA LEU A 96 1.516 -3.029 -10.996 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.935 -3.751 -10.432 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.482 -5.314 -11.083 1.00 0.89 H new ATOM 0 HG LEU A 96 1.632 -5.062 -9.497 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.103 -3.816 -7.412 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.149 -2.728 -8.820 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -0.415 -3.243 -8.144 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.341 -6.162 -7.666 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -1.177 -5.607 -8.412 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.148 -6.785 -9.259 1.00 0.86 H new ATOM 1557 N GLU A 97 1.253 -5.836 -12.672 1.00 0.96 N ATOM 1558 CA GLU A 97 2.057 -6.900 -13.342 1.00 1.00 C ATOM 1559 C GLU A 97 3.238 -7.330 -12.462 1.00 0.99 C ATOM 1560 O GLU A 97 3.419 -6.857 -11.358 1.00 0.99 O ATOM 1561 CB GLU A 97 2.591 -6.365 -14.672 1.00 1.05 C ATOM 1562 CG GLU A 97 1.453 -5.703 -15.451 1.00 1.13 C ATOM 1563 CD GLU A 97 1.956 -5.285 -16.834 1.00 1.25 C ATOM 1564 OE1 GLU A 97 2.625 -4.268 -16.917 1.00 1.27 O ATOM 1565 OE2 GLU A 97 1.666 -5.990 -17.786 1.00 1.37 O ATOM 0 H GLU A 97 0.254 -6.030 -12.608 1.00 0.96 H new ATOM 0 HA GLU A 97 1.416 -7.765 -13.511 1.00 1.00 H new ATOM 0 HB2 GLU A 97 3.389 -5.645 -14.492 1.00 1.05 H new ATOM 0 HB3 GLU A 97 3.021 -7.178 -15.257 1.00 1.05 H new ATOM 0 HG2 GLU A 97 0.616 -6.394 -15.550 1.00 1.13 H new ATOM 0 HG3 GLU A 97 1.085 -4.833 -14.908 1.00 1.13 H new ATOM 1572 N LYS A 98 4.039 -8.230 -12.967 1.00 1.02 N ATOM 1573 CA LYS A 98 5.225 -8.730 -12.210 1.00 1.01 C ATOM 1574 C LYS A 98 4.897 -8.938 -10.721 1.00 1.00 C ATOM 1575 O LYS A 98 5.445 -8.256 -9.878 1.00 1.04 O ATOM 1576 CB LYS A 98 6.366 -7.719 -12.337 1.00 1.08 C ATOM 1577 CG LYS A 98 6.758 -7.571 -13.809 1.00 1.09 C ATOM 1578 CD LYS A 98 7.723 -6.393 -13.963 1.00 1.13 C ATOM 1579 CE LYS A 98 8.058 -6.187 -15.443 1.00 1.16 C ATOM 1580 NZ LYS A 98 6.934 -5.476 -16.114 1.00 1.18 N ATOM 0 H LYS A 98 3.919 -8.648 -13.890 1.00 1.02 H new ATOM 0 HA LYS A 98 5.517 -9.692 -12.632 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.058 -6.755 -11.933 1.00 1.08 H new ATOM 0 HB3 LYS A 98 7.225 -8.049 -11.753 1.00 1.08 H new ATOM 0 HG2 LYS A 98 7.227 -8.488 -14.166 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.869 -7.409 -14.419 1.00 1.09 H new ATOM 0 HD2 LYS A 98 7.275 -5.488 -13.553 1.00 1.13 H new ATOM 0 HD3 LYS A 98 8.635 -6.582 -13.397 1.00 1.13 H new ATOM 0 HE2 LYS A 98 8.977 -5.610 -15.542 1.00 1.16 H new ATOM 0 HE3 LYS A 98 8.232 -7.149 -15.924 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 7.190 -5.276 -17.102 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 6.083 -6.073 -16.091 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 6.744 -4.582 -15.618 1.00 1.18 H new ATOM 1594 N PRO A 99 4.036 -9.891 -10.430 1.00 0.93 N ATOM 1595 CA PRO A 99 3.669 -10.203 -9.035 1.00 0.91 C ATOM 1596 C PRO A 99 4.834 -10.924 -8.353 1.00 0.98 C ATOM 1597 O PRO A 99 5.735 -11.416 -9.002 1.00 1.02 O ATOM 1598 CB PRO A 99 2.449 -11.142 -9.145 1.00 0.84 C ATOM 1599 CG PRO A 99 2.277 -11.502 -10.652 1.00 0.82 C ATOM 1600 CD PRO A 99 3.350 -10.718 -11.445 1.00 0.88 C ATOM 0 HA PRO A 99 3.444 -9.312 -8.449 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.602 -12.042 -8.550 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.553 -10.654 -8.761 1.00 0.84 H new ATOM 0 HG2 PRO A 99 2.395 -12.575 -10.805 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.277 -11.239 -10.997 1.00 0.82 H new ATOM 0 HD2 PRO A 99 4.046 -11.393 -11.943 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.897 -10.099 -12.220 1.00 0.88 H new ATOM 1608 N LYS A 100 4.821 -11.004 -7.050 1.00 0.98 N ATOM 1609 CA LYS A 100 5.921 -11.705 -6.347 1.00 1.05 C ATOM 1610 C LYS A 100 5.439 -12.224 -4.966 1.00 1.02 C ATOM 1611 O LYS A 100 5.608 -13.394 -4.690 1.00 1.04 O ATOM 1612 CB LYS A 100 7.125 -10.744 -6.220 1.00 1.11 C ATOM 1613 CG LYS A 100 8.346 -11.273 -7.000 1.00 1.18 C ATOM 1614 CD LYS A 100 9.352 -10.137 -7.218 1.00 1.25 C ATOM 1615 CE LYS A 100 9.749 -9.535 -5.871 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.982 -8.713 -6.041 1.00 1.30 N ATOM 0 H LYS A 100 4.096 -10.614 -6.448 1.00 0.98 H new ATOM 0 HA LYS A 100 6.236 -12.578 -6.918 1.00 1.05 H new ATOM 0 HB2 LYS A 100 6.849 -9.759 -6.596 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.387 -10.622 -5.169 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.816 -12.088 -6.449 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.028 -11.679 -7.960 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.235 -10.514 -7.733 1.00 1.25 H new ATOM 0 HD3 LYS A 100 8.915 -9.369 -7.856 1.00 1.25 H new ATOM 0 HE2 LYS A 100 8.938 -8.919 -5.482 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.924 -10.327 -5.143 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 11.718 -9.052 -5.389 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 11.322 -8.796 -7.020 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.767 -7.717 -5.832 1.00 1.30 H new ATOM 1630 N PRO A 101 4.855 -11.379 -4.125 1.00 0.97 N ATOM 1631 CA PRO A 101 4.382 -11.830 -2.805 1.00 0.95 C ATOM 1632 C PRO A 101 2.951 -12.369 -2.976 1.00 0.89 C ATOM 1633 O PRO A 101 2.572 -12.751 -4.065 1.00 0.89 O ATOM 1634 CB PRO A 101 4.438 -10.549 -1.967 1.00 0.92 C ATOM 1635 CG PRO A 101 4.294 -9.375 -2.950 1.00 0.92 C ATOM 1636 CD PRO A 101 4.610 -9.933 -4.365 1.00 0.95 C ATOM 0 HA PRO A 101 4.960 -12.629 -2.341 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.638 -10.535 -1.227 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.379 -10.484 -1.421 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.286 -8.962 -2.914 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.979 -8.568 -2.691 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.779 -9.776 -5.052 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.482 -9.446 -4.802 1.00 0.95 H new ATOM 1644 N ARG A 102 2.154 -12.428 -1.932 1.00 0.84 N ATOM 1645 CA ARG A 102 0.760 -12.970 -2.076 1.00 0.79 C ATOM 1646 C ARG A 102 -0.236 -12.129 -1.241 1.00 0.71 C ATOM 1647 O ARG A 102 0.140 -11.614 -0.209 1.00 0.71 O ATOM 1648 CB ARG A 102 0.765 -14.411 -1.564 1.00 0.83 C ATOM 1649 CG ARG A 102 2.003 -15.118 -2.113 1.00 0.92 C ATOM 1650 CD ARG A 102 1.862 -16.635 -1.935 1.00 0.96 C ATOM 1651 NE ARG A 102 3.222 -17.262 -1.873 1.00 1.05 N ATOM 1652 CZ ARG A 102 4.119 -17.028 -2.794 1.00 1.11 C ATOM 1653 NH1 ARG A 102 3.792 -16.412 -3.897 1.00 1.09 N ATOM 1654 NH2 ARG A 102 5.337 -17.467 -2.636 1.00 1.18 N ATOM 0 H ARG A 102 2.406 -12.126 -0.991 1.00 0.84 H new ATOM 0 HA ARG A 102 0.450 -12.929 -3.120 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.773 -14.425 -0.474 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.139 -14.929 -1.883 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.131 -14.878 -3.168 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.894 -14.764 -1.595 1.00 0.92 H new ATOM 0 HD2 ARG A 102 1.307 -16.854 -1.023 1.00 0.96 H new ATOM 0 HD3 ARG A 102 1.293 -17.057 -2.763 1.00 0.96 H new ATOM 0 HE ARG A 102 3.452 -17.883 -1.097 1.00 1.05 H new ATOM 0 HH11 ARG A 102 2.830 -16.109 -4.046 1.00 1.09 H new ATOM 0 HH12 ARG A 102 4.499 -16.234 -4.610 1.00 1.09 H new ATOM 0 HH21 ARG A 102 5.586 -17.990 -1.797 1.00 1.18 H new ATOM 0 HH22 ARG A 102 6.041 -17.287 -3.352 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.488 -12.032 -1.687 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.530 -11.276 -0.953 1.00 0.59 C ATOM 1670 C PRO A 103 -2.403 -11.536 0.548 1.00 0.59 C ATOM 1671 O PRO A 103 -2.792 -10.729 1.368 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.853 -11.815 -1.524 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.507 -12.467 -2.888 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.974 -12.661 -2.930 1.00 0.67 C ATOM 0 HA PRO A 103 -2.453 -10.196 -1.074 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.300 -12.543 -0.847 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.578 -11.011 -1.651 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.018 -13.423 -2.997 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.837 -11.833 -3.711 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.709 -13.717 -2.970 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.538 -12.189 -3.810 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.836 -12.649 0.906 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.653 -12.963 2.344 1.00 0.65 C ATOM 1684 C GLU A 104 -0.446 -12.183 2.844 1.00 0.67 C ATOM 1685 O GLU A 104 -0.533 -11.393 3.758 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.388 -14.462 2.504 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.600 -15.255 2.010 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.339 -16.751 2.194 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.266 -17.195 1.821 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -3.217 -17.426 2.705 1.00 0.81 O ATOM 0 H GLU A 104 -1.490 -13.359 0.260 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.544 -12.693 2.911 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.500 -14.747 1.939 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.189 -14.697 3.550 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.492 -14.960 2.563 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.789 -15.034 0.959 1.00 0.71 H new ATOM 1697 N ASP A 105 0.673 -12.403 2.216 1.00 0.73 N ATOM 1698 CA ASP A 105 1.934 -11.710 2.587 1.00 0.78 C ATOM 1699 C ASP A 105 1.650 -10.238 2.887 1.00 0.73 C ATOM 1700 O ASP A 105 2.338 -9.602 3.651 1.00 0.77 O ATOM 1701 CB ASP A 105 2.891 -11.821 1.399 1.00 0.83 C ATOM 1702 CG ASP A 105 2.987 -13.280 0.947 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.180 -14.078 1.394 1.00 0.94 O ATOM 1704 OD2 ASP A 105 3.875 -13.575 0.164 1.00 0.86 O ATOM 0 H ASP A 105 0.767 -13.055 1.437 1.00 0.73 H new ATOM 0 HA ASP A 105 2.372 -12.164 3.476 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.539 -11.198 0.577 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.878 -11.451 1.679 1.00 0.83 H new ATOM 1709 N ILE A 106 0.622 -9.703 2.311 1.00 0.67 N ATOM 1710 CA ILE A 106 0.266 -8.277 2.584 1.00 0.64 C ATOM 1711 C ILE A 106 -0.565 -8.263 3.871 1.00 0.59 C ATOM 1712 O ILE A 106 -0.120 -7.800 4.902 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.541 -7.667 1.397 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.409 -8.537 0.134 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.035 -6.254 1.067 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.045 -8.552 -0.357 1.00 0.72 C ATOM 0 H ILE A 106 0.005 -10.186 1.659 1.00 0.67 H new ATOM 0 HA ILE A 106 1.165 -7.671 2.697 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.586 -7.626 1.704 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.737 -9.554 0.349 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.060 -8.151 -0.650 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.611 -5.846 0.236 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.153 -5.612 1.940 1.00 0.62 H new ATOM 0 HG23 ILE A 106 1.018 -6.300 0.790 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.121 -9.172 -1.251 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.360 -7.535 -0.592 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.688 -8.960 0.423 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.761 -8.804 3.816 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.627 -8.874 5.036 1.00 0.51 C ATOM 1730 C VAL A 107 -1.762 -9.288 6.235 1.00 0.53 C ATOM 1731 O VAL A 107 -1.991 -8.893 7.361 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.669 -9.981 4.802 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.396 -10.362 6.105 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.681 -9.517 3.763 1.00 0.46 C ATOM 0 H VAL A 107 -2.175 -9.202 2.973 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.101 -7.911 5.226 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.146 -10.867 4.442 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.124 -11.147 5.899 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -3.671 -10.722 6.834 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -4.909 -9.487 6.505 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.419 -10.302 3.598 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.182 -8.617 4.120 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.167 -9.299 2.827 1.00 0.46 H new ATOM 1744 N ASN A 108 -0.792 -10.124 5.980 1.00 0.59 N ATOM 1745 CA ASN A 108 0.091 -10.639 7.068 1.00 0.63 C ATOM 1746 C ASN A 108 0.796 -9.482 7.791 1.00 0.63 C ATOM 1747 O ASN A 108 1.639 -9.699 8.637 1.00 0.66 O ATOM 1748 CB ASN A 108 1.148 -11.588 6.444 1.00 0.69 C ATOM 1749 CG ASN A 108 1.395 -12.790 7.366 1.00 1.07 C ATOM 1750 OD1 ASN A 108 2.437 -12.894 7.982 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.472 -13.705 7.484 1.00 1.35 N ATOM 0 H ASN A 108 -0.570 -10.478 5.049 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.515 -11.177 7.797 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.806 -11.934 5.469 1.00 0.69 H new ATOM 0 HB3 ASN A 108 2.081 -11.048 6.282 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.625 -14.508 8.094 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.403 -13.617 6.967 1.00 1.35 H new ATOM 1758 N CYS A 109 0.458 -8.266 7.474 1.00 0.61 N ATOM 1759 CA CYS A 109 1.106 -7.107 8.154 1.00 0.63 C ATOM 1760 C CYS A 109 2.625 -7.144 7.948 1.00 0.70 C ATOM 1761 O CYS A 109 3.314 -6.195 8.267 1.00 0.85 O ATOM 1762 CB CYS A 109 0.798 -7.153 9.653 1.00 0.62 C ATOM 1763 SG CYS A 109 1.208 -5.556 10.399 1.00 0.66 S ATOM 0 H CYS A 109 -0.240 -8.021 6.772 1.00 0.61 H new ATOM 0 HA CYS A 109 0.713 -6.186 7.723 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.256 -7.382 9.812 1.00 0.62 H new ATOM 0 HB3 CYS A 109 1.372 -7.948 10.129 1.00 0.62 H new ATOM 0 HG CYS A 109 2.299 -5.094 9.863 1.00 0.66 H new ATOM 1769 N ASP A 110 3.170 -8.211 7.414 1.00 0.72 N ATOM 1770 CA ASP A 110 4.634 -8.240 7.209 1.00 0.79 C ATOM 1771 C ASP A 110 5.001 -7.060 6.330 1.00 0.81 C ATOM 1772 O ASP A 110 4.187 -6.535 5.599 1.00 0.80 O ATOM 1773 CB ASP A 110 5.075 -9.550 6.543 1.00 0.84 C ATOM 1774 CG ASP A 110 4.410 -9.703 5.179 1.00 0.85 C ATOM 1775 OD1 ASP A 110 4.380 -8.732 4.440 1.00 0.88 O ATOM 1776 OD2 ASP A 110 3.947 -10.794 4.890 1.00 0.98 O ATOM 0 H ASP A 110 2.665 -9.047 7.118 1.00 0.72 H new ATOM 0 HA ASP A 110 5.141 -8.178 8.172 1.00 0.79 H new ATOM 0 HB2 ASP A 110 6.159 -9.561 6.429 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.813 -10.395 7.179 1.00 0.84 H new ATOM 1781 N LEU A 111 6.214 -6.636 6.409 1.00 0.89 N ATOM 1782 CA LEU A 111 6.671 -5.482 5.601 1.00 0.93 C ATOM 1783 C LEU A 111 7.363 -5.999 4.346 1.00 0.97 C ATOM 1784 O LEU A 111 7.081 -5.579 3.268 1.00 0.96 O ATOM 1785 CB LEU A 111 7.658 -4.659 6.441 1.00 1.02 C ATOM 1786 CG LEU A 111 6.897 -3.680 7.362 1.00 1.06 C ATOM 1787 CD1 LEU A 111 7.766 -3.327 8.573 1.00 1.09 C ATOM 1788 CD2 LEU A 111 6.561 -2.389 6.601 1.00 1.12 C ATOM 0 H LEU A 111 6.928 -7.046 7.011 1.00 0.89 H new ATOM 0 HA LEU A 111 5.826 -4.857 5.313 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.278 -5.325 7.041 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.329 -4.104 5.785 1.00 1.02 H new ATOM 0 HG LEU A 111 5.975 -4.159 7.692 1.00 1.06 H new ATOM 0 HD11 LEU A 111 7.225 -2.636 9.220 1.00 1.09 H new ATOM 0 HD12 LEU A 111 8.002 -4.235 9.128 1.00 1.09 H new ATOM 0 HD13 LEU A 111 8.690 -2.859 8.234 1.00 1.09 H new ATOM 0 HD21 LEU A 111 6.025 -1.707 7.261 1.00 1.12 H new ATOM 0 HD22 LEU A 111 7.483 -1.916 6.262 1.00 1.12 H new ATOM 0 HD23 LEU A 111 5.937 -2.626 5.740 1.00 1.12 H new ATOM 1800 N LYS A 112 8.279 -6.901 4.509 1.00 1.00 N ATOM 1801 CA LYS A 112 9.049 -7.463 3.356 1.00 1.04 C ATOM 1802 C LYS A 112 8.243 -7.494 2.048 1.00 1.02 C ATOM 1803 O LYS A 112 8.441 -6.696 1.146 1.00 1.04 O ATOM 1804 CB LYS A 112 9.401 -8.899 3.740 1.00 1.06 C ATOM 1805 CG LYS A 112 10.242 -9.549 2.635 1.00 1.12 C ATOM 1806 CD LYS A 112 11.125 -10.658 3.227 1.00 1.15 C ATOM 1807 CE LYS A 112 11.589 -11.606 2.116 1.00 1.20 C ATOM 1808 NZ LYS A 112 10.493 -12.560 1.786 1.00 1.17 N ATOM 0 H LYS A 112 8.539 -7.288 5.416 1.00 1.00 H new ATOM 0 HA LYS A 112 9.920 -6.834 3.172 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.953 -8.907 4.680 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.489 -9.475 3.900 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.589 -9.964 1.867 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.865 -8.797 2.151 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.989 -10.219 3.726 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.569 -11.214 3.982 1.00 1.15 H new ATOM 0 HE2 LYS A 112 11.868 -11.036 1.230 1.00 1.20 H new ATOM 0 HE3 LYS A 112 12.476 -12.152 2.436 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 10.858 -13.305 1.160 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 10.132 -12.990 2.661 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 9.723 -12.052 1.306 1.00 1.17 H new ATOM 1822 N SER A 113 7.356 -8.421 1.944 1.00 0.98 N ATOM 1823 CA SER A 113 6.531 -8.565 0.712 1.00 0.96 C ATOM 1824 C SER A 113 5.750 -7.272 0.429 1.00 0.92 C ATOM 1825 O SER A 113 5.863 -6.658 -0.617 1.00 0.94 O ATOM 1826 CB SER A 113 5.550 -9.700 0.990 1.00 0.92 C ATOM 1827 OG SER A 113 5.412 -9.853 2.396 1.00 0.90 O ATOM 0 H SER A 113 7.155 -9.106 2.672 1.00 0.98 H new ATOM 0 HA SER A 113 7.159 -8.769 -0.155 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.583 -9.482 0.538 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.909 -10.627 0.543 1.00 0.92 H new ATOM 0 HG SER A 113 4.740 -9.222 2.729 1.00 0.90 H new ATOM 1833 N THR A 114 4.950 -6.880 1.364 1.00 0.88 N ATOM 1834 CA THR A 114 4.127 -5.643 1.221 1.00 0.85 C ATOM 1835 C THR A 114 4.966 -4.558 0.534 1.00 0.89 C ATOM 1836 O THR A 114 4.498 -3.827 -0.302 1.00 0.89 O ATOM 1837 CB THR A 114 3.658 -5.211 2.640 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.246 -5.063 2.639 1.00 0.76 O ATOM 1839 CG2 THR A 114 4.297 -3.886 3.092 1.00 0.84 C ATOM 0 H THR A 114 4.822 -7.372 2.248 1.00 0.88 H new ATOM 0 HA THR A 114 3.247 -5.816 0.602 1.00 0.85 H new ATOM 0 HB THR A 114 3.971 -5.987 3.339 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.945 -4.792 3.531 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.937 -3.629 4.088 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.381 -3.994 3.115 1.00 0.84 H new ATOM 0 HG23 THR A 114 4.026 -3.094 2.393 1.00 0.84 H new ATOM 1847 N LEU A 115 6.202 -4.482 0.898 1.00 0.95 N ATOM 1848 CA LEU A 115 7.128 -3.484 0.318 1.00 1.00 C ATOM 1849 C LEU A 115 7.269 -3.750 -1.168 1.00 1.02 C ATOM 1850 O LEU A 115 7.154 -2.867 -1.979 1.00 1.02 O ATOM 1851 CB LEU A 115 8.513 -3.648 0.997 1.00 1.06 C ATOM 1852 CG LEU A 115 8.962 -2.341 1.659 1.00 1.04 C ATOM 1853 CD1 LEU A 115 10.157 -2.621 2.572 1.00 1.09 C ATOM 1854 CD2 LEU A 115 9.379 -1.344 0.574 1.00 1.06 C ATOM 0 H LEU A 115 6.626 -5.091 1.598 1.00 0.95 H new ATOM 0 HA LEU A 115 6.748 -2.475 0.477 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.463 -4.439 1.745 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.251 -3.956 0.256 1.00 1.06 H new ATOM 0 HG LEU A 115 8.142 -1.926 2.245 1.00 1.04 H new ATOM 0 HD11 LEU A 115 10.479 -1.693 3.045 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.868 -3.338 3.340 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.977 -3.032 1.983 1.00 1.09 H new ATOM 0 HD21 LEU A 115 9.699 -0.412 1.040 1.00 1.06 H new ATOM 0 HD22 LEU A 115 10.202 -1.761 -0.007 1.00 1.06 H new ATOM 0 HD23 LEU A 115 8.533 -1.148 -0.085 1.00 1.06 H new ATOM 1866 N ARG A 116 7.537 -4.967 -1.524 1.00 1.03 N ATOM 1867 CA ARG A 116 7.715 -5.280 -2.963 1.00 1.05 C ATOM 1868 C ARG A 116 6.565 -4.664 -3.783 1.00 1.01 C ATOM 1869 O ARG A 116 6.776 -3.914 -4.721 1.00 1.04 O ATOM 1870 CB ARG A 116 7.720 -6.804 -3.121 1.00 1.04 C ATOM 1871 CG ARG A 116 9.145 -7.382 -2.904 1.00 1.10 C ATOM 1872 CD ARG A 116 9.065 -8.814 -2.323 1.00 1.10 C ATOM 1873 NE ARG A 116 10.159 -9.645 -2.894 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.445 -10.803 -2.360 1.00 1.17 C ATOM 1875 NH1 ARG A 116 9.778 -11.224 -1.320 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.396 -11.538 -2.866 1.00 1.23 N ATOM 0 H ARG A 116 7.641 -5.756 -0.886 1.00 1.03 H new ATOM 0 HA ARG A 116 8.654 -4.862 -3.327 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.030 -7.250 -2.404 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.363 -7.071 -4.116 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.686 -7.397 -3.850 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.706 -6.739 -2.226 1.00 1.10 H new ATOM 0 HD2 ARG A 116 9.148 -8.782 -1.237 1.00 1.10 H new ATOM 0 HD3 ARG A 116 8.097 -9.258 -2.556 1.00 1.10 H new ATOM 0 HE ARG A 116 10.685 -9.311 -3.701 1.00 1.16 H new ATOM 0 HH11 ARG A 116 9.034 -10.649 -0.924 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.001 -12.128 -0.903 1.00 1.13 H new ATOM 0 HH21 ARG A 116 11.917 -11.209 -3.679 1.00 1.23 H new ATOM 0 HH22 ARG A 116 11.619 -12.442 -2.449 1.00 1.23 H new ATOM 1890 N VAL A 117 5.356 -4.994 -3.438 1.00 0.95 N ATOM 1891 CA VAL A 117 4.178 -4.473 -4.196 1.00 0.91 C ATOM 1892 C VAL A 117 4.016 -2.958 -4.022 1.00 0.92 C ATOM 1893 O VAL A 117 3.888 -2.231 -4.986 1.00 0.94 O ATOM 1894 CB VAL A 117 2.911 -5.197 -3.705 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.653 -4.460 -4.183 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.896 -6.620 -4.267 1.00 0.85 C ATOM 0 H VAL A 117 5.126 -5.608 -2.657 1.00 0.95 H new ATOM 0 HA VAL A 117 4.337 -4.664 -5.257 1.00 0.91 H new ATOM 0 HB VAL A 117 2.918 -5.219 -2.615 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.766 -4.985 -3.827 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.655 -3.444 -3.789 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.642 -4.427 -5.272 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.001 -7.138 -3.923 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.896 -6.581 -5.356 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.780 -7.156 -3.923 1.00 0.85 H new ATOM 1906 N LEU A 118 3.994 -2.480 -2.816 1.00 0.91 N ATOM 1907 CA LEU A 118 3.803 -1.015 -2.602 1.00 0.92 C ATOM 1908 C LEU A 118 4.801 -0.254 -3.468 1.00 0.98 C ATOM 1909 O LEU A 118 4.457 0.706 -4.114 1.00 1.00 O ATOM 1910 CB LEU A 118 3.993 -0.659 -1.106 1.00 0.92 C ATOM 1911 CG LEU A 118 2.646 -0.316 -0.436 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.993 0.913 -1.107 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.700 -1.530 -0.510 1.00 0.81 C ATOM 0 H LEU A 118 4.099 -3.034 -1.966 1.00 0.91 H new ATOM 0 HA LEU A 118 2.790 -0.732 -2.887 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.457 -1.497 -0.587 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.673 0.188 -1.015 1.00 0.92 H new ATOM 0 HG LEU A 118 2.833 -0.071 0.610 1.00 0.86 H new ATOM 0 HD11 LEU A 118 1.045 1.134 -0.617 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.657 1.772 -1.017 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.815 0.700 -2.161 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.751 -1.281 -0.035 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.526 -1.793 -1.553 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.153 -2.376 0.006 1.00 0.81 H new ATOM 1925 N TYR A 119 6.025 -0.684 -3.503 1.00 1.03 N ATOM 1926 CA TYR A 119 7.025 0.008 -4.350 1.00 1.09 C ATOM 1927 C TYR A 119 6.472 0.071 -5.756 1.00 1.08 C ATOM 1928 O TYR A 119 6.401 1.108 -6.372 1.00 1.11 O ATOM 1929 CB TYR A 119 8.312 -0.808 -4.363 1.00 1.13 C ATOM 1930 CG TYR A 119 9.404 -0.012 -5.017 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.110 0.945 -4.286 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.704 -0.237 -6.356 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.127 1.684 -4.903 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.719 0.498 -6.980 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.432 1.459 -6.252 1.00 1.34 C ATOM 1936 OH TYR A 119 12.433 2.185 -6.864 1.00 1.41 O ATOM 0 H TYR A 119 6.377 -1.486 -2.981 1.00 1.03 H new ATOM 0 HA TYR A 119 7.229 1.008 -3.968 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.599 -1.070 -3.345 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.157 -1.743 -4.901 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.872 1.115 -3.246 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.154 -0.979 -6.915 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.675 2.425 -4.340 1.00 1.31 H new ATOM 0 HE2 TYR A 119 10.952 0.324 -8.020 1.00 1.31 H new ATOM 0 HH TYR A 119 12.516 1.904 -7.799 1.00 1.41 H new ATOM 1946 N ASN A 120 6.073 -1.054 -6.252 1.00 1.06 N ATOM 1947 CA ASN A 120 5.501 -1.125 -7.619 1.00 1.05 C ATOM 1948 C ASN A 120 4.505 0.046 -7.829 1.00 1.03 C ATOM 1949 O ASN A 120 4.520 0.718 -8.850 1.00 1.05 O ATOM 1950 CB ASN A 120 4.792 -2.496 -7.751 1.00 1.01 C ATOM 1951 CG ASN A 120 5.084 -3.125 -9.121 1.00 1.04 C ATOM 1952 OD1 ASN A 120 6.228 -3.266 -9.505 1.00 1.06 O ATOM 1953 ND2 ASN A 120 4.090 -3.511 -9.874 1.00 1.06 N ATOM 0 H ASN A 120 6.118 -1.947 -5.761 1.00 1.06 H new ATOM 0 HA ASN A 120 6.276 -1.035 -8.380 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.130 -3.164 -6.959 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.717 -2.369 -7.625 1.00 1.01 H new ATOM 0 HD21 ASN A 120 4.274 -3.931 -10.785 1.00 1.06 H new ATOM 0 HD22 ASN A 120 3.130 -3.392 -9.551 1.00 1.06 H new ATOM 1960 N LEU A 121 3.651 0.307 -6.869 1.00 0.99 N ATOM 1961 CA LEU A 121 2.683 1.422 -7.015 1.00 0.97 C ATOM 1962 C LEU A 121 3.418 2.756 -6.927 1.00 1.03 C ATOM 1963 O LEU A 121 3.413 3.516 -7.859 1.00 1.05 O ATOM 1964 CB LEU A 121 1.646 1.376 -5.886 1.00 0.92 C ATOM 1965 CG LEU A 121 0.597 0.258 -6.085 1.00 0.87 C ATOM 1966 CD1 LEU A 121 -0.048 0.335 -7.476 1.00 0.86 C ATOM 1967 CD2 LEU A 121 1.257 -1.110 -5.901 1.00 0.87 C ATOM 0 H LEU A 121 3.588 -0.209 -5.991 1.00 0.99 H new ATOM 0 HA LEU A 121 2.187 1.321 -7.981 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.157 1.224 -4.935 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.138 2.339 -5.825 1.00 0.92 H new ATOM 0 HG LEU A 121 -0.186 0.395 -5.339 1.00 0.87 H new ATOM 0 HD11 LEU A 121 -0.780 -0.465 -7.582 1.00 0.86 H new ATOM 0 HD12 LEU A 121 -0.544 1.299 -7.594 1.00 0.86 H new ATOM 0 HD13 LEU A 121 0.721 0.226 -8.240 1.00 0.86 H new ATOM 0 HD21 LEU A 121 0.514 -1.895 -6.042 1.00 0.87 H new ATOM 0 HD22 LEU A 121 2.055 -1.230 -6.633 1.00 0.87 H new ATOM 0 HD23 LEU A 121 1.673 -1.181 -4.896 1.00 0.87 H new ATOM 1979 N PHE A 122 4.038 3.047 -5.808 1.00 1.05 N ATOM 1980 CA PHE A 122 4.759 4.345 -5.646 1.00 1.11 C ATOM 1981 C PHE A 122 5.481 4.684 -6.922 1.00 1.16 C ATOM 1982 O PHE A 122 5.710 5.820 -7.258 1.00 1.20 O ATOM 1983 CB PHE A 122 5.799 4.163 -4.523 1.00 1.14 C ATOM 1984 CG PHE A 122 5.951 5.421 -3.725 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.027 5.680 -2.735 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.014 6.301 -3.957 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.146 6.836 -1.948 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.139 7.459 -3.181 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.203 7.727 -2.174 1.00 1.27 C ATOM 0 H PHE A 122 4.074 2.433 -4.994 1.00 1.05 H new ATOM 0 HA PHE A 122 4.056 5.143 -5.407 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.494 3.347 -3.868 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.760 3.883 -4.954 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.211 4.993 -2.565 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.735 6.087 -4.732 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.424 7.038 -1.170 1.00 1.20 H new ATOM 0 HE2 PHE A 122 7.955 8.144 -3.358 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.296 8.619 -1.573 1.00 1.27 H new ATOM 1999 N THR A 123 5.822 3.688 -7.620 1.00 1.15 N ATOM 2000 CA THR A 123 6.545 3.895 -8.894 1.00 1.20 C ATOM 2001 C THR A 123 5.592 4.451 -9.942 1.00 1.18 C ATOM 2002 O THR A 123 5.862 5.444 -10.586 1.00 1.22 O ATOM 2003 CB THR A 123 7.119 2.562 -9.381 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.767 1.905 -8.300 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.125 2.818 -10.504 1.00 1.27 C ATOM 0 H THR A 123 5.638 2.715 -7.377 1.00 1.15 H new ATOM 0 HA THR A 123 7.358 4.604 -8.734 1.00 1.20 H new ATOM 0 HB THR A 123 6.312 1.933 -9.757 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.141 1.284 -7.872 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.533 1.868 -10.850 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.626 3.322 -11.332 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.934 3.446 -10.132 1.00 1.27 H new ATOM 2013 N LYS A 124 4.491 3.800 -10.131 1.00 1.12 N ATOM 2014 CA LYS A 124 3.528 4.250 -11.176 1.00 1.10 C ATOM 2015 C LYS A 124 2.672 5.443 -10.736 1.00 1.10 C ATOM 2016 O LYS A 124 2.055 6.085 -11.563 1.00 1.11 O ATOM 2017 CB LYS A 124 2.599 3.092 -11.500 1.00 1.04 C ATOM 2018 CG LYS A 124 3.412 1.894 -11.984 1.00 1.04 C ATOM 2019 CD LYS A 124 2.530 0.626 -11.957 1.00 0.99 C ATOM 2020 CE LYS A 124 2.837 -0.227 -13.189 1.00 0.98 C ATOM 2021 NZ LYS A 124 1.969 -1.432 -13.200 1.00 0.92 N ATOM 0 H LYS A 124 4.208 2.971 -9.608 1.00 1.12 H new ATOM 0 HA LYS A 124 4.112 4.568 -12.040 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.023 2.818 -10.616 1.00 1.04 H new ATOM 0 HB3 LYS A 124 1.884 3.391 -12.267 1.00 1.04 H new ATOM 0 HG2 LYS A 124 3.777 2.074 -12.995 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.287 1.755 -11.349 1.00 1.04 H new ATOM 0 HD2 LYS A 124 2.721 0.055 -11.048 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.476 0.902 -11.945 1.00 0.99 H new ATOM 0 HE2 LYS A 124 2.675 0.356 -14.095 1.00 0.98 H new ATOM 0 HE3 LYS A 124 3.886 -0.524 -13.184 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 2.560 -2.286 -13.146 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 1.325 -1.404 -12.384 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 1.413 -1.451 -14.079 1.00 0.92 H new ATOM 2035 N TYR A 125 2.588 5.734 -9.462 1.00 1.10 N ATOM 2036 CA TYR A 125 1.723 6.869 -9.008 1.00 1.11 C ATOM 2037 C TYR A 125 2.585 8.061 -8.582 1.00 1.17 C ATOM 2038 O TYR A 125 2.115 9.174 -8.467 1.00 1.20 O ATOM 2039 CB TYR A 125 0.868 6.384 -7.835 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.298 5.559 -8.360 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.082 4.282 -8.913 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.599 6.077 -8.298 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.165 3.537 -9.396 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.678 5.327 -8.782 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.461 4.059 -9.330 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.526 3.322 -9.808 1.00 0.86 O ATOM 0 H TYR A 125 3.078 5.238 -8.718 1.00 1.10 H new ATOM 0 HA TYR A 125 1.081 7.196 -9.826 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.473 5.785 -7.154 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.497 7.236 -7.266 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.918 3.878 -8.965 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.770 7.056 -7.876 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.999 2.558 -9.820 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.679 5.729 -8.732 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.356 3.829 -9.686 1.00 0.86 H new ATOM 2056 N ARG A 126 3.839 7.830 -8.348 1.00 1.20 N ATOM 2057 CA ARG A 126 4.757 8.922 -7.934 1.00 1.27 C ATOM 2058 C ARG A 126 4.510 10.178 -8.785 1.00 1.31 C ATOM 2059 O ARG A 126 4.732 11.291 -8.351 1.00 1.35 O ATOM 2060 CB ARG A 126 6.200 8.383 -8.097 1.00 1.31 C ATOM 2061 CG ARG A 126 7.128 9.433 -8.705 1.00 1.38 C ATOM 2062 CD ARG A 126 8.554 8.875 -8.808 1.00 1.42 C ATOM 2063 NE ARG A 126 9.531 10.000 -8.775 1.00 1.49 N ATOM 2064 CZ ARG A 126 10.795 9.761 -8.554 1.00 1.52 C ATOM 2065 NH1 ARG A 126 11.202 8.539 -8.349 1.00 1.50 N ATOM 2066 NH2 ARG A 126 11.651 10.747 -8.536 1.00 1.59 N ATOM 0 H ARG A 126 4.278 6.913 -8.427 1.00 1.20 H new ATOM 0 HA ARG A 126 4.588 9.216 -6.898 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.586 8.075 -7.125 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.188 7.496 -8.731 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.768 9.720 -9.693 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.124 10.333 -8.091 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.747 8.187 -7.985 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.668 8.307 -9.731 1.00 1.42 H new ATOM 0 HE ARG A 126 9.212 10.957 -8.925 1.00 1.49 H new ATOM 0 HH11 ARG A 126 10.532 7.770 -8.361 1.00 1.50 H new ATOM 0 HH12 ARG A 126 12.190 8.353 -8.176 1.00 1.50 H new ATOM 0 HH21 ARG A 126 11.332 11.703 -8.695 1.00 1.59 H new ATOM 0 HH22 ARG A 126 12.639 10.562 -8.363 1.00 1.59 H new ATOM 2080 N ASN A 127 4.075 9.999 -9.992 1.00 1.30 N ATOM 2081 CA ASN A 127 3.831 11.156 -10.894 1.00 1.33 C ATOM 2082 C ASN A 127 2.403 11.637 -10.689 1.00 1.29 C ATOM 2083 O ASN A 127 2.051 12.764 -10.975 1.00 1.31 O ATOM 2084 CB ASN A 127 4.031 10.672 -12.342 1.00 1.35 C ATOM 2085 CG ASN A 127 5.431 11.045 -12.846 1.00 1.43 C ATOM 2086 OD1 ASN A 127 5.609 11.348 -14.010 1.00 1.46 O ATOM 2087 ND2 ASN A 127 6.436 11.036 -12.013 1.00 1.46 N ATOM 0 H ASN A 127 3.874 9.087 -10.402 1.00 1.30 H new ATOM 0 HA ASN A 127 4.515 11.978 -10.683 1.00 1.33 H new ATOM 0 HB2 ASN A 127 3.896 9.592 -12.392 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.275 11.118 -12.988 1.00 1.35 H new ATOM 0 HD21 ASN A 127 7.371 11.283 -12.339 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.287 10.782 -11.037 1.00 1.46 H new ATOM 2094 N VAL A 128 1.592 10.771 -10.194 1.00 1.23 N ATOM 2095 CA VAL A 128 0.177 11.106 -9.946 1.00 1.18 C ATOM 2096 C VAL A 128 0.067 11.854 -8.628 1.00 1.15 C ATOM 2097 O VAL A 128 0.697 11.527 -7.642 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.622 9.804 -9.896 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.006 10.044 -9.283 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.787 9.257 -11.316 1.00 1.17 C ATOM 0 H VAL A 128 1.854 9.818 -9.943 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.217 11.741 -10.739 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.084 9.086 -9.278 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.560 9.105 -9.256 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.893 10.428 -8.269 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.551 10.769 -9.887 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.357 8.328 -11.284 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -1.317 9.987 -11.928 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.195 9.066 -11.749 1.00 1.17 H new