USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 670 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 40 GLN : amide:sc= -1.74 X(o=-1.9,f=-2.3!) USER MOD Set 1.2: A 50 ASN : amide:sc= -0.189 X(o=-1.9,f=-2.3) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 11 ASN : amide:sc= -0.0321 K(o=-0.032,f=-2.3) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 149:sc= -1.21 (180deg=-3.89!) USER MOD Single : A 44 GLN : amide:sc= -1.43! C(o=-1.4!,f=-1.1!) USER MOD Single : A 47 ASN : amide:sc= -3.35 K(o=-3.3,f=-7.5!) USER MOD Single : A 51 THR OG1 : rot 43:sc= -1.04 USER MOD Single : A 54 GLN : amide:sc= -3.11! C(o=-3.1!,f=-3.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.164 K(o=0.16,f=-1.1) USER MOD Single : A 65 CYS SG : rot -160:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -108:sc= -0.277 (180deg=-1.14) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.438 7.740 -1.752 1.00 0.00 N ATOM 58 CA LYS A 2 16.089 8.362 -2.900 1.00 0.00 C ATOM 59 C LYS A 2 17.596 8.131 -2.862 1.00 0.00 C ATOM 60 O LYS A 2 18.116 7.520 -1.929 1.00 0.00 O ATOM 61 CB LYS A 2 15.792 9.863 -2.929 1.00 0.00 C ATOM 62 CG LYS A 2 14.501 10.214 -3.648 1.00 0.00 C ATOM 63 CD LYS A 2 13.312 10.192 -2.702 1.00 0.00 C ATOM 64 CE LYS A 2 12.035 10.630 -3.402 1.00 0.00 C ATOM 65 NZ LYS A 2 10.886 10.714 -2.459 1.00 0.00 N ATOM 0 HA LYS A 2 15.692 7.902 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.741 10.234 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.620 10.379 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.591 11.203 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.333 9.508 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.182 9.186 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.508 10.849 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.192 11.602 -3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.799 9.926 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.035 11.016 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.719 9.781 -2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.100 11.404 -1.711 1.00 0.00 H new ATOM 79 N GLU A 3 18.292 8.626 -3.881 1.00 0.00 N ATOM 80 CA GLU A 3 19.740 8.474 -3.962 1.00 0.00 C ATOM 81 C GLU A 3 20.430 9.835 -3.971 1.00 0.00 C ATOM 82 O GLU A 3 19.895 10.810 -4.499 1.00 0.00 O ATOM 83 CB GLU A 3 20.123 7.687 -5.217 1.00 0.00 C ATOM 84 CG GLU A 3 19.948 8.473 -6.505 1.00 0.00 C ATOM 85 CD GLU A 3 19.747 7.578 -7.713 1.00 0.00 C ATOM 86 OE1 GLU A 3 19.921 6.349 -7.576 1.00 0.00 O ATOM 87 OE2 GLU A 3 19.415 8.107 -8.794 1.00 0.00 O ATOM 0 H GLU A 3 17.877 9.135 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 3 20.072 7.924 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.162 7.369 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.517 6.783 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.092 9.140 -6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.824 9.101 -6.665 1.00 0.00 H new ATOM 94 N ILE A 4 21.621 9.891 -3.384 1.00 0.00 N ATOM 95 CA ILE A 4 22.385 11.131 -3.325 1.00 0.00 C ATOM 96 C ILE A 4 23.645 11.042 -4.179 1.00 0.00 C ATOM 97 O ILE A 4 24.336 10.023 -4.178 1.00 0.00 O ATOM 98 CB ILE A 4 22.782 11.479 -1.878 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.297 12.918 -1.800 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.835 10.506 -1.369 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.789 13.039 -2.021 1.00 0.00 C ATOM 0 H ILE A 4 22.077 9.093 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 4 21.740 11.918 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 4 21.900 11.393 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.778 13.522 -2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.048 13.332 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.105 10.765 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.436 9.492 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.720 10.563 -2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.083 14.086 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.317 12.463 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 4 25.043 12.656 -3.009 1.00 0.00 H new ATOM 113 N ILE A 5 23.938 12.116 -4.904 1.00 0.00 N ATOM 114 CA ILE A 5 25.117 12.159 -5.761 1.00 0.00 C ATOM 115 C ILE A 5 25.894 13.456 -5.561 1.00 0.00 C ATOM 116 O ILE A 5 25.320 14.490 -5.216 1.00 0.00 O ATOM 117 CB ILE A 5 24.739 12.025 -7.247 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.642 10.973 -7.424 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.963 11.666 -8.076 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.242 10.753 -8.866 1.00 0.00 C ATOM 0 H ILE A 5 23.376 12.967 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 5 25.744 11.314 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 5 24.357 12.984 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.985 10.028 -7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.764 11.276 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.679 11.575 -9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.716 12.447 -7.971 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.373 10.718 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.461 9.995 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.868 11.687 -9.286 1.00 0.00 H new ATOM 0 HD13 ILE A 5 24.108 10.419 -9.437 1.00 0.00 H new ATOM 132 N LEU A 6 27.203 13.395 -5.780 1.00 0.00 N ATOM 133 CA LEU A 6 28.060 14.565 -5.626 1.00 0.00 C ATOM 134 C LEU A 6 28.880 14.810 -6.889 1.00 0.00 C ATOM 135 O LEU A 6 29.742 14.007 -7.247 1.00 0.00 O ATOM 136 CB LEU A 6 28.993 14.384 -4.426 1.00 0.00 C ATOM 137 CG LEU A 6 29.155 12.954 -3.912 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.506 12.780 -3.236 1.00 0.00 C ATOM 139 CD2 LEU A 6 28.027 12.600 -2.953 1.00 0.00 C ATOM 0 H LEU A 6 27.694 12.547 -6.065 1.00 0.00 H new ATOM 0 HA LEU A 6 27.422 15.432 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.978 14.765 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.625 15.003 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 6 29.107 12.275 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.604 11.756 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.301 12.991 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.583 13.469 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.159 11.578 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.042 13.284 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.071 12.684 -3.469 1.00 0.00 H new ATOM 151 N TYR A 7 28.606 15.924 -7.558 1.00 0.00 N ATOM 152 CA TYR A 7 29.318 16.275 -8.781 1.00 0.00 C ATOM 153 C TYR A 7 30.469 17.232 -8.487 1.00 0.00 C ATOM 154 O TYR A 7 30.256 18.408 -8.191 1.00 0.00 O ATOM 155 CB TYR A 7 28.358 16.909 -9.790 1.00 0.00 C ATOM 156 CG TYR A 7 27.274 15.970 -10.267 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.531 15.022 -11.250 1.00 0.00 C ATOM 158 CD2 TYR A 7 25.992 16.030 -9.735 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.543 14.163 -11.690 1.00 0.00 C ATOM 160 CE2 TYR A 7 24.998 15.174 -10.167 1.00 0.00 C ATOM 161 CZ TYR A 7 25.278 14.243 -11.145 1.00 0.00 C ATOM 162 OH TYR A 7 24.291 13.387 -11.579 1.00 0.00 O ATOM 0 H TYR A 7 27.896 16.599 -7.274 1.00 0.00 H new ATOM 0 HA TYR A 7 29.731 15.360 -9.206 1.00 0.00 H new ATOM 0 HB2 TYR A 7 27.894 17.785 -9.337 1.00 0.00 H new ATOM 0 HB3 TYR A 7 28.928 17.259 -10.650 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.521 14.956 -11.677 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.769 16.759 -8.970 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.759 13.433 -12.456 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.007 15.233 -9.741 1.00 0.00 H new ATOM 0 HH TYR A 7 23.460 13.573 -11.094 1.00 0.00 H new ATOM 172 N THR A 8 31.693 16.718 -8.571 1.00 0.00 N ATOM 173 CA THR A 8 32.879 17.524 -8.313 1.00 0.00 C ATOM 174 C THR A 8 34.151 16.703 -8.490 1.00 0.00 C ATOM 175 O THR A 8 34.095 15.521 -8.830 1.00 0.00 O ATOM 176 CB THR A 8 32.857 18.117 -6.891 1.00 0.00 C ATOM 177 OG1 THR A 8 31.869 17.451 -6.098 1.00 0.00 O ATOM 178 CG2 THR A 8 32.562 19.609 -6.932 1.00 0.00 C ATOM 0 H THR A 8 31.888 15.747 -8.816 1.00 0.00 H new ATOM 0 HA THR A 8 32.872 18.338 -9.038 1.00 0.00 H new ATOM 0 HB THR A 8 33.840 17.970 -6.444 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.862 17.833 -5.195 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.551 20.006 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.333 20.116 -7.512 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.590 19.775 -7.397 1.00 0.00 H new ATOM 186 N ARG A 9 35.296 17.336 -8.256 1.00 0.00 N ATOM 187 CA ARG A 9 36.582 16.663 -8.390 1.00 0.00 C ATOM 188 C ARG A 9 36.963 15.954 -7.093 1.00 0.00 C ATOM 189 O ARG A 9 36.496 16.300 -6.008 1.00 0.00 O ATOM 190 CB ARG A 9 37.670 17.668 -8.772 1.00 0.00 C ATOM 191 CG ARG A 9 37.704 18.898 -7.880 1.00 0.00 C ATOM 192 CD ARG A 9 38.919 19.765 -8.173 1.00 0.00 C ATOM 193 NE ARG A 9 38.877 21.030 -7.444 1.00 0.00 N ATOM 194 CZ ARG A 9 38.157 22.077 -7.830 1.00 0.00 C ATOM 195 NH1 ARG A 9 37.423 22.012 -8.931 1.00 0.00 N ATOM 196 NH2 ARG A 9 38.171 23.194 -7.112 1.00 0.00 N ATOM 0 H ARG A 9 35.359 18.314 -7.973 1.00 0.00 H new ATOM 0 HA ARG A 9 36.492 15.917 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.640 17.173 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.516 17.982 -9.804 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.795 19.481 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.719 18.590 -6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 9 39.825 19.222 -7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 9 38.972 19.965 -9.243 1.00 0.00 H new ATOM 0 HE ARG A 9 39.431 21.114 -6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.410 21.156 -9.485 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.871 22.818 -9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 9 38.735 23.248 -6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 9 37.618 23.998 -7.409 1.00 0.00 H new ATOM 210 N PRO A 10 37.830 14.938 -7.207 1.00 0.00 N ATOM 211 CA PRO A 10 38.293 14.159 -6.054 1.00 0.00 C ATOM 212 C PRO A 10 39.207 14.966 -5.138 1.00 0.00 C ATOM 213 O PRO A 10 39.583 14.508 -4.061 1.00 0.00 O ATOM 214 CB PRO A 10 39.064 13.002 -6.694 1.00 0.00 C ATOM 215 CG PRO A 10 39.507 13.527 -8.016 1.00 0.00 C ATOM 216 CD PRO A 10 38.428 14.471 -8.469 1.00 0.00 C ATOM 0 HA PRO A 10 37.466 13.839 -5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.915 12.706 -6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.432 12.121 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.465 14.041 -7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.643 12.717 -8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.836 15.298 -9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.694 13.969 -9.100 1.00 0.00 H new ATOM 224 N ASN A 11 39.560 16.171 -5.575 1.00 0.00 N ATOM 225 CA ASN A 11 40.431 17.042 -4.794 1.00 0.00 C ATOM 226 C ASN A 11 39.619 18.101 -4.054 1.00 0.00 C ATOM 227 O ASN A 11 39.886 19.298 -4.170 1.00 0.00 O ATOM 228 CB ASN A 11 41.461 17.716 -5.702 1.00 0.00 C ATOM 229 CG ASN A 11 42.448 16.726 -6.290 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.298 15.514 -6.132 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.465 17.239 -6.973 1.00 0.00 N ATOM 0 H ASN A 11 39.256 16.566 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 11 40.951 16.428 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 11 40.945 18.234 -6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.003 18.472 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.161 16.622 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.550 18.250 -7.079 1.00 0.00 H new ATOM 238 N CYS A 12 38.626 17.653 -3.293 1.00 0.00 N ATOM 239 CA CYS A 12 37.774 18.561 -2.534 1.00 0.00 C ATOM 240 C CYS A 12 37.845 18.252 -1.041 1.00 0.00 C ATOM 241 O CYS A 12 37.223 17.312 -0.546 1.00 0.00 O ATOM 242 CB CYS A 12 36.327 18.460 -3.019 1.00 0.00 C ATOM 243 SG CYS A 12 35.687 16.756 -3.102 1.00 0.00 S ATOM 0 H CYS A 12 38.391 16.666 -3.186 1.00 0.00 H new ATOM 0 HA CYS A 12 38.134 19.577 -2.694 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.691 19.044 -2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.254 18.913 -4.008 1.00 0.00 H new ATOM 248 N PRO A 13 38.620 19.062 -0.305 1.00 0.00 N ATOM 249 CA PRO A 13 38.790 18.896 1.141 1.00 0.00 C ATOM 250 C PRO A 13 37.524 19.242 1.917 1.00 0.00 C ATOM 251 O PRO A 13 37.446 19.022 3.126 1.00 0.00 O ATOM 252 CB PRO A 13 39.912 19.881 1.482 1.00 0.00 C ATOM 253 CG PRO A 13 39.843 20.918 0.414 1.00 0.00 C ATOM 254 CD PRO A 13 39.390 20.203 -0.829 1.00 0.00 C ATOM 0 HA PRO A 13 39.014 17.864 1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.767 20.319 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.883 19.387 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.145 21.711 0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.815 21.387 0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.777 20.845 -1.461 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.235 19.874 -1.434 1.00 0.00 H new ATOM 262 N TYR A 14 36.536 19.784 1.215 1.00 0.00 N ATOM 263 CA TYR A 14 35.273 20.163 1.839 1.00 0.00 C ATOM 264 C TYR A 14 34.261 19.024 1.756 1.00 0.00 C ATOM 265 O TYR A 14 33.352 18.924 2.580 1.00 0.00 O ATOM 266 CB TYR A 14 34.704 21.415 1.170 1.00 0.00 C ATOM 267 CG TYR A 14 35.572 22.641 1.344 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.573 23.352 2.538 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.389 23.091 0.314 1.00 0.00 C ATOM 270 CE1 TYR A 14 36.363 24.473 2.702 1.00 0.00 C ATOM 271 CE2 TYR A 14 37.183 24.210 0.469 1.00 0.00 C ATOM 272 CZ TYR A 14 37.167 24.898 1.664 1.00 0.00 C ATOM 273 OH TYR A 14 37.956 26.014 1.822 1.00 0.00 O ATOM 0 H TYR A 14 36.584 19.971 0.213 1.00 0.00 H new ATOM 0 HA TYR A 14 35.467 20.377 2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.573 21.221 0.105 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.715 21.619 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 14 34.945 23.022 3.352 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.403 22.556 -0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.352 25.014 3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 14 37.813 24.545 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 14 38.461 26.177 0.998 1.00 0.00 H new ATOM 283 N CYS A 15 34.427 18.166 0.755 1.00 0.00 N ATOM 284 CA CYS A 15 33.530 17.033 0.561 1.00 0.00 C ATOM 285 C CYS A 15 33.467 16.169 1.817 1.00 0.00 C ATOM 286 O CYS A 15 32.482 15.470 2.055 1.00 0.00 O ATOM 287 CB CYS A 15 33.990 16.190 -0.630 1.00 0.00 C ATOM 288 SG CYS A 15 33.765 17.000 -2.246 1.00 0.00 S ATOM 0 H CYS A 15 35.175 18.234 0.065 1.00 0.00 H new ATOM 0 HA CYS A 15 32.532 17.421 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.044 15.945 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.441 15.248 -0.628 1.00 0.00 H new ATOM 293 N LYS A 16 34.526 16.221 2.618 1.00 0.00 N ATOM 294 CA LYS A 16 34.592 15.445 3.851 1.00 0.00 C ATOM 295 C LYS A 16 33.327 15.636 4.682 1.00 0.00 C ATOM 296 O LYS A 16 32.816 14.688 5.277 1.00 0.00 O ATOM 297 CB LYS A 16 35.819 15.853 4.669 1.00 0.00 C ATOM 298 CG LYS A 16 37.094 15.142 4.248 1.00 0.00 C ATOM 299 CD LYS A 16 38.320 16.007 4.487 1.00 0.00 C ATOM 300 CE LYS A 16 38.772 15.945 5.938 1.00 0.00 C ATOM 301 NZ LYS A 16 39.906 16.872 6.206 1.00 0.00 N ATOM 0 H LYS A 16 35.351 16.793 2.435 1.00 0.00 H new ATOM 0 HA LYS A 16 34.675 14.391 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.966 16.929 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.628 15.646 5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.192 14.209 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.033 14.879 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.131 15.677 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.096 17.039 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 16 37.935 16.197 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.071 14.926 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.185 16.800 7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 40.713 16.616 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 39.613 17.848 5.998 1.00 0.00 H new ATOM 315 N ARG A 17 32.828 16.867 4.718 1.00 0.00 N ATOM 316 CA ARG A 17 31.624 17.182 5.477 1.00 0.00 C ATOM 317 C ARG A 17 30.414 16.450 4.903 1.00 0.00 C ATOM 318 O ARG A 17 29.703 15.747 5.621 1.00 0.00 O ATOM 319 CB ARG A 17 31.371 18.690 5.471 1.00 0.00 C ATOM 320 CG ARG A 17 32.507 19.501 6.073 1.00 0.00 C ATOM 321 CD ARG A 17 32.630 20.864 5.412 1.00 0.00 C ATOM 322 NE ARG A 17 33.229 21.853 6.304 1.00 0.00 N ATOM 323 CZ ARG A 17 34.514 21.857 6.641 1.00 0.00 C ATOM 324 NH1 ARG A 17 35.330 20.928 6.162 1.00 0.00 N ATOM 325 NH2 ARG A 17 34.984 22.790 7.458 1.00 0.00 N ATOM 0 H ARG A 17 33.239 17.663 4.230 1.00 0.00 H new ATOM 0 HA ARG A 17 31.775 16.851 6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.206 19.018 4.445 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.455 18.898 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.338 19.628 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.444 18.955 5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 17 33.235 20.776 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 17 31.643 21.207 5.101 1.00 0.00 H new ATOM 0 HE ARG A 17 32.628 22.581 6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 17 34.971 20.209 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 17 36.316 20.933 6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 17 34.359 23.506 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 17 35.971 22.792 7.716 1.00 0.00 H new ATOM 339 N ALA A 18 30.186 16.621 3.605 1.00 0.00 N ATOM 340 CA ALA A 18 29.063 15.977 2.935 1.00 0.00 C ATOM 341 C ALA A 18 29.136 14.460 3.077 1.00 0.00 C ATOM 342 O ALA A 18 28.194 13.825 3.550 1.00 0.00 O ATOM 343 CB ALA A 18 29.029 16.370 1.465 1.00 0.00 C ATOM 0 H ALA A 18 30.764 17.200 2.996 1.00 0.00 H new ATOM 0 HA ALA A 18 28.144 16.317 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.185 15.882 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.921 17.451 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.956 16.059 0.984 1.00 0.00 H new ATOM 349 N ARG A 19 30.261 13.885 2.664 1.00 0.00 N ATOM 350 CA ARG A 19 30.456 12.443 2.744 1.00 0.00 C ATOM 351 C ARG A 19 30.292 11.951 4.179 1.00 0.00 C ATOM 352 O ARG A 19 29.809 10.843 4.414 1.00 0.00 O ATOM 353 CB ARG A 19 31.843 12.064 2.219 1.00 0.00 C ATOM 354 CG ARG A 19 32.970 12.398 3.182 1.00 0.00 C ATOM 355 CD ARG A 19 34.323 11.994 2.618 1.00 0.00 C ATOM 356 NE ARG A 19 34.538 10.551 2.692 1.00 0.00 N ATOM 357 CZ ARG A 19 35.516 9.920 2.051 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.363 10.601 1.292 1.00 0.00 N ATOM 359 NH2 ARG A 19 35.647 8.605 2.169 1.00 0.00 N ATOM 0 H ARG A 19 31.051 14.396 2.271 1.00 0.00 H new ATOM 0 HA ARG A 19 29.697 11.964 2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.862 10.995 2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.018 12.580 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.966 13.468 3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.803 11.888 4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.395 12.318 1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 19 35.113 12.507 3.167 1.00 0.00 H new ATOM 0 HE ARG A 19 33.903 9.998 3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.265 11.612 1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.113 10.114 0.801 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.997 8.078 2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 19 36.398 8.121 1.677 1.00 0.00 H new ATOM 373 N ASP A 20 30.696 12.781 5.134 1.00 0.00 N ATOM 374 CA ASP A 20 30.594 12.431 6.546 1.00 0.00 C ATOM 375 C ASP A 20 29.135 12.392 6.991 1.00 0.00 C ATOM 376 O ASP A 20 28.733 11.518 7.760 1.00 0.00 O ATOM 377 CB ASP A 20 31.373 13.433 7.399 1.00 0.00 C ATOM 378 CG ASP A 20 31.030 13.329 8.872 1.00 0.00 C ATOM 379 OD1 ASP A 20 30.734 12.207 9.335 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.058 14.369 9.562 1.00 0.00 O ATOM 0 H ASP A 20 31.097 13.702 4.956 1.00 0.00 H new ATOM 0 HA ASP A 20 31.024 11.439 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.442 13.266 7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.162 14.444 7.050 1.00 0.00 H new ATOM 385 N LEU A 21 28.347 13.343 6.503 1.00 0.00 N ATOM 386 CA LEU A 21 26.932 13.418 6.851 1.00 0.00 C ATOM 387 C LEU A 21 26.176 12.205 6.321 1.00 0.00 C ATOM 388 O LEU A 21 25.387 11.588 7.039 1.00 0.00 O ATOM 389 CB LEU A 21 26.317 14.702 6.292 1.00 0.00 C ATOM 390 CG LEU A 21 24.998 15.146 6.926 1.00 0.00 C ATOM 391 CD1 LEU A 21 25.257 16.089 8.091 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.104 15.809 5.889 1.00 0.00 C ATOM 0 H LEU A 21 28.663 14.073 5.865 1.00 0.00 H new ATOM 0 HA LEU A 21 26.850 13.427 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.042 15.508 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.156 14.568 5.222 1.00 0.00 H new ATOM 0 HG LEU A 21 24.485 14.263 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.307 16.395 8.530 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.858 15.580 8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.792 16.969 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.170 16.118 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.610 16.682 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.890 15.102 5.087 1.00 0.00 H new ATOM 404 N LEU A 22 26.422 11.865 5.061 1.00 0.00 N ATOM 405 CA LEU A 22 25.766 10.723 4.434 1.00 0.00 C ATOM 406 C LEU A 22 26.240 9.413 5.056 1.00 0.00 C ATOM 407 O LEU A 22 25.433 8.553 5.406 1.00 0.00 O ATOM 408 CB LEU A 22 26.040 10.715 2.929 1.00 0.00 C ATOM 409 CG LEU A 22 25.908 12.061 2.215 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.776 12.091 0.967 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.454 12.336 1.862 1.00 0.00 C ATOM 0 H LEU A 22 27.071 12.364 4.453 1.00 0.00 H new ATOM 0 HA LEU A 22 24.693 10.815 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.049 10.337 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.356 10.009 2.459 1.00 0.00 H new ATOM 0 HG LEU A 22 26.252 12.844 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.669 13.056 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.819 11.940 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 22 26.463 11.298 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.378 13.298 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 22 24.084 11.549 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.856 12.359 2.773 1.00 0.00 H new ATOM 423 N ASP A 23 27.554 9.271 5.192 1.00 0.00 N ATOM 424 CA ASP A 23 28.137 8.068 5.775 1.00 0.00 C ATOM 425 C ASP A 23 27.701 7.902 7.227 1.00 0.00 C ATOM 426 O ASP A 23 27.604 6.785 7.734 1.00 0.00 O ATOM 427 CB ASP A 23 29.663 8.122 5.690 1.00 0.00 C ATOM 428 CG ASP A 23 30.180 7.748 4.315 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.579 6.858 3.677 1.00 0.00 O ATOM 430 OD2 ASP A 23 31.184 8.346 3.877 1.00 0.00 O ATOM 0 H ASP A 23 28.236 9.974 4.906 1.00 0.00 H new ATOM 0 HA ASP A 23 27.780 7.209 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.003 9.127 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.089 7.446 6.431 1.00 0.00 H new ATOM 435 N LYS A 24 27.440 9.022 7.893 1.00 0.00 N ATOM 436 CA LYS A 24 27.014 9.003 9.287 1.00 0.00 C ATOM 437 C LYS A 24 25.550 8.592 9.404 1.00 0.00 C ATOM 438 O LYS A 24 25.171 7.857 10.315 1.00 0.00 O ATOM 439 CB LYS A 24 27.221 10.379 9.924 1.00 0.00 C ATOM 440 CG LYS A 24 26.690 10.478 11.344 1.00 0.00 C ATOM 441 CD LYS A 24 27.456 9.569 12.291 1.00 0.00 C ATOM 442 CE LYS A 24 27.456 10.116 13.710 1.00 0.00 C ATOM 443 NZ LYS A 24 27.676 9.043 14.718 1.00 0.00 N ATOM 0 H LYS A 24 27.516 9.955 7.489 1.00 0.00 H new ATOM 0 HA LYS A 24 27.622 8.269 9.816 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.286 10.613 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.730 11.133 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.763 11.509 11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.633 10.211 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.010 8.575 12.283 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.483 9.460 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.236 10.872 13.808 1.00 0.00 H new ATOM 0 HE3 LYS A 24 26.505 10.611 13.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 27.669 9.456 15.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 26.918 8.335 14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.595 8.587 14.545 1.00 0.00 H new ATOM 457 N LYS A 25 24.730 9.071 8.474 1.00 0.00 N ATOM 458 CA LYS A 25 23.308 8.752 8.470 1.00 0.00 C ATOM 459 C LYS A 25 23.077 7.300 8.066 1.00 0.00 C ATOM 460 O LYS A 25 22.132 6.660 8.526 1.00 0.00 O ATOM 461 CB LYS A 25 22.558 9.683 7.514 1.00 0.00 C ATOM 462 CG LYS A 25 22.417 11.103 8.034 1.00 0.00 C ATOM 463 CD LYS A 25 21.684 11.139 9.365 1.00 0.00 C ATOM 464 CE LYS A 25 20.665 12.267 9.410 1.00 0.00 C ATOM 465 NZ LYS A 25 20.518 12.828 10.782 1.00 0.00 N ATOM 0 H LYS A 25 25.027 9.682 7.713 1.00 0.00 H new ATOM 0 HA LYS A 25 22.927 8.895 9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.080 9.705 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.565 9.274 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.405 11.549 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.878 11.707 7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.181 10.186 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.403 11.265 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.969 13.058 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.700 11.898 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.815 13.594 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.203 12.079 11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.433 13.203 11.104 1.00 0.00 H new ATOM 479 N GLY A 26 23.948 6.784 7.205 1.00 0.00 N ATOM 480 CA GLY A 26 23.822 5.410 6.755 1.00 0.00 C ATOM 481 C GLY A 26 23.204 5.305 5.375 1.00 0.00 C ATOM 482 O GLY A 26 22.262 4.541 5.165 1.00 0.00 O ATOM 0 H GLY A 26 24.739 7.293 6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.807 4.943 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.212 4.853 7.466 1.00 0.00 H new ATOM 486 N VAL A 27 23.734 6.076 4.431 1.00 0.00 N ATOM 487 CA VAL A 27 23.227 6.068 3.064 1.00 0.00 C ATOM 488 C VAL A 27 24.343 5.778 2.066 1.00 0.00 C ATOM 489 O VAL A 27 25.518 5.720 2.431 1.00 0.00 O ATOM 490 CB VAL A 27 22.566 7.411 2.702 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.122 7.442 3.180 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.356 8.570 3.292 1.00 0.00 C ATOM 0 H VAL A 27 24.514 6.714 4.588 1.00 0.00 H new ATOM 0 HA VAL A 27 22.479 5.277 3.009 1.00 0.00 H new ATOM 0 HB VAL A 27 22.567 7.515 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.672 8.399 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.564 6.635 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.094 7.315 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.875 9.511 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.389 8.473 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.371 8.557 2.896 1.00 0.00 H new ATOM 502 N LYS A 28 23.969 5.597 0.804 1.00 0.00 N ATOM 503 CA LYS A 28 24.937 5.315 -0.248 1.00 0.00 C ATOM 504 C LYS A 28 25.034 6.482 -1.226 1.00 0.00 C ATOM 505 O LYS A 28 24.140 6.693 -2.046 1.00 0.00 O ATOM 506 CB LYS A 28 24.549 4.039 -0.998 1.00 0.00 C ATOM 507 CG LYS A 28 25.295 2.804 -0.524 1.00 0.00 C ATOM 508 CD LYS A 28 24.555 2.102 0.602 1.00 0.00 C ATOM 509 CE LYS A 28 23.283 1.435 0.102 1.00 0.00 C ATOM 510 NZ LYS A 28 22.198 1.474 1.121 1.00 0.00 N ATOM 0 H LYS A 28 23.001 5.641 0.485 1.00 0.00 H new ATOM 0 HA LYS A 28 25.912 5.173 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.478 3.872 -0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.738 4.181 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.427 2.115 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.291 3.088 -0.184 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.205 1.354 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 28 24.307 2.823 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.945 1.933 -0.807 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.496 0.399 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.348 1.009 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.510 0.977 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.977 2.463 1.355 1.00 0.00 H new ATOM 524 N TYR A 29 26.123 7.236 -1.134 1.00 0.00 N ATOM 525 CA TYR A 29 26.336 8.382 -2.010 1.00 0.00 C ATOM 526 C TYR A 29 27.234 8.010 -3.186 1.00 0.00 C ATOM 527 O TYR A 29 28.159 7.209 -3.048 1.00 0.00 O ATOM 528 CB TYR A 29 26.955 9.541 -1.227 1.00 0.00 C ATOM 529 CG TYR A 29 28.401 9.311 -0.849 1.00 0.00 C ATOM 530 CD1 TYR A 29 28.736 8.681 0.343 1.00 0.00 C ATOM 531 CD2 TYR A 29 29.432 9.725 -1.684 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.056 8.470 0.693 1.00 0.00 C ATOM 533 CE2 TYR A 29 30.755 9.516 -1.343 1.00 0.00 C ATOM 534 CZ TYR A 29 31.061 8.889 -0.153 1.00 0.00 C ATOM 535 OH TYR A 29 32.377 8.680 0.191 1.00 0.00 O ATOM 0 H TYR A 29 26.873 7.074 -0.461 1.00 0.00 H new ATOM 0 HA TYR A 29 25.367 8.693 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.884 10.451 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.373 9.708 -0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 29 27.951 8.351 1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 29 29.195 10.218 -2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 29 30.299 7.980 1.624 1.00 0.00 H new ATOM 0 HE2 TYR A 29 31.544 9.842 -2.004 1.00 0.00 H new ATOM 0 HH TYR A 29 32.959 9.033 -0.514 1.00 0.00 H new ATOM 545 N THR A 30 26.955 8.599 -4.345 1.00 0.00 N ATOM 546 CA THR A 30 27.735 8.330 -5.546 1.00 0.00 C ATOM 547 C THR A 30 28.614 9.522 -5.909 1.00 0.00 C ATOM 548 O THR A 30 28.113 10.609 -6.196 1.00 0.00 O ATOM 549 CB THR A 30 26.826 7.994 -6.743 1.00 0.00 C ATOM 550 OG1 THR A 30 26.072 6.808 -6.468 1.00 0.00 O ATOM 551 CG2 THR A 30 27.648 7.796 -8.008 1.00 0.00 C ATOM 0 H THR A 30 26.194 9.266 -4.477 1.00 0.00 H new ATOM 0 HA THR A 30 28.367 7.469 -5.326 1.00 0.00 H new ATOM 0 HB THR A 30 26.144 8.830 -6.899 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.495 6.602 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.984 7.560 -8.840 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.198 8.710 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.351 6.976 -7.860 1.00 0.00 H new ATOM 559 N ASP A 31 29.925 9.310 -5.894 1.00 0.00 N ATOM 560 CA ASP A 31 30.874 10.368 -6.223 1.00 0.00 C ATOM 561 C ASP A 31 31.076 10.466 -7.732 1.00 0.00 C ATOM 562 O ASP A 31 31.481 9.499 -8.378 1.00 0.00 O ATOM 563 CB ASP A 31 32.214 10.112 -5.532 1.00 0.00 C ATOM 564 CG ASP A 31 33.311 11.028 -6.040 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.949 10.683 -7.057 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.530 12.090 -5.421 1.00 0.00 O ATOM 0 H ASP A 31 30.355 8.416 -5.658 1.00 0.00 H new ATOM 0 HA ASP A 31 30.465 11.314 -5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.098 10.250 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.509 9.075 -5.690 1.00 0.00 H new ATOM 571 N ILE A 32 30.790 11.639 -8.287 1.00 0.00 N ATOM 572 CA ILE A 32 30.940 11.862 -9.719 1.00 0.00 C ATOM 573 C ILE A 32 32.150 12.743 -10.014 1.00 0.00 C ATOM 574 O ILE A 32 32.217 13.891 -9.575 1.00 0.00 O ATOM 575 CB ILE A 32 29.683 12.518 -10.322 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.453 11.646 -10.064 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.871 12.752 -11.813 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.461 10.346 -10.838 1.00 0.00 C ATOM 0 H ILE A 32 30.453 12.449 -7.767 1.00 0.00 H new ATOM 0 HA ILE A 32 31.085 10.884 -10.177 1.00 0.00 H new ATOM 0 HB ILE A 32 29.528 13.483 -9.840 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.392 11.425 -8.998 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.557 12.209 -10.325 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.975 13.216 -12.224 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.726 13.409 -11.973 1.00 0.00 H new ATOM 0 HG23 ILE A 32 30.048 11.799 -12.311 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.559 9.779 -10.606 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.491 10.559 -11.907 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.338 9.762 -10.560 1.00 0.00 H new ATOM 590 N ASP A 33 33.103 12.197 -10.762 1.00 0.00 N ATOM 591 CA ASP A 33 34.310 12.933 -11.119 1.00 0.00 C ATOM 592 C ASP A 33 33.960 14.261 -11.783 1.00 0.00 C ATOM 593 O ASP A 33 32.996 14.352 -12.543 1.00 0.00 O ATOM 594 CB ASP A 33 35.186 12.097 -12.053 1.00 0.00 C ATOM 595 CG ASP A 33 35.684 10.825 -11.395 1.00 0.00 C ATOM 596 OD1 ASP A 33 34.881 9.881 -11.245 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.877 10.774 -11.029 1.00 0.00 O ATOM 0 H ASP A 33 33.063 11.248 -11.133 1.00 0.00 H new ATOM 0 HA ASP A 33 34.864 13.140 -10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.618 11.842 -12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 33 36.039 12.693 -12.377 1.00 0.00 H new ATOM 602 N ALA A 34 34.749 15.290 -11.491 1.00 0.00 N ATOM 603 CA ALA A 34 34.524 16.612 -12.060 1.00 0.00 C ATOM 604 C ALA A 34 34.623 16.580 -13.581 1.00 0.00 C ATOM 605 O ALA A 34 34.161 17.495 -14.263 1.00 0.00 O ATOM 606 CB ALA A 34 35.517 17.611 -11.485 1.00 0.00 C ATOM 0 H ALA A 34 35.551 15.233 -10.863 1.00 0.00 H new ATOM 0 HA ALA A 34 33.515 16.927 -11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.337 18.594 -11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.395 17.664 -10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.532 17.291 -11.720 1.00 0.00 H new ATOM 612 N SER A 35 35.230 15.521 -14.107 1.00 0.00 N ATOM 613 CA SER A 35 35.395 15.371 -15.548 1.00 0.00 C ATOM 614 C SER A 35 34.072 15.603 -16.273 1.00 0.00 C ATOM 615 O SER A 35 33.189 14.745 -16.268 1.00 0.00 O ATOM 616 CB SER A 35 35.934 13.979 -15.880 1.00 0.00 C ATOM 617 OG SER A 35 36.297 13.884 -17.246 1.00 0.00 O ATOM 0 H SER A 35 35.616 14.754 -13.556 1.00 0.00 H new ATOM 0 HA SER A 35 36.112 16.120 -15.886 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.800 13.763 -15.255 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.178 13.228 -15.649 1.00 0.00 H new ATOM 0 HG SER A 35 36.640 12.985 -17.432 1.00 0.00 H new ATOM 623 N THR A 36 33.943 16.770 -16.897 1.00 0.00 N ATOM 624 CA THR A 36 32.729 17.116 -17.625 1.00 0.00 C ATOM 625 C THR A 36 32.385 16.051 -18.660 1.00 0.00 C ATOM 626 O THR A 36 31.223 15.880 -19.026 1.00 0.00 O ATOM 627 CB THR A 36 32.868 18.477 -18.333 1.00 0.00 C ATOM 628 OG1 THR A 36 33.941 18.430 -19.280 1.00 0.00 O ATOM 629 CG2 THR A 36 33.123 19.588 -17.326 1.00 0.00 C ATOM 0 H THR A 36 34.664 17.491 -16.913 1.00 0.00 H new ATOM 0 HA THR A 36 31.926 17.176 -16.890 1.00 0.00 H new ATOM 0 HB THR A 36 31.934 18.687 -18.853 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.021 19.299 -19.727 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.218 20.539 -17.850 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.290 19.641 -16.624 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.044 19.381 -16.781 1.00 0.00 H new ATOM 637 N SER A 37 33.404 15.335 -19.126 1.00 0.00 N ATOM 638 CA SER A 37 33.210 14.288 -20.122 1.00 0.00 C ATOM 639 C SER A 37 32.084 13.345 -19.706 1.00 0.00 C ATOM 640 O SER A 37 31.378 12.792 -20.550 1.00 0.00 O ATOM 641 CB SER A 37 34.505 13.498 -20.321 1.00 0.00 C ATOM 642 OG SER A 37 35.446 14.242 -21.074 1.00 0.00 O ATOM 0 H SER A 37 34.372 15.461 -18.830 1.00 0.00 H new ATOM 0 HA SER A 37 32.934 14.763 -21.064 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.931 13.243 -19.351 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.287 12.559 -20.831 1.00 0.00 H new ATOM 0 HG SER A 37 36.265 13.716 -21.186 1.00 0.00 H new ATOM 648 N LEU A 38 31.922 13.167 -18.400 1.00 0.00 N ATOM 649 CA LEU A 38 30.883 12.292 -17.870 1.00 0.00 C ATOM 650 C LEU A 38 29.948 13.058 -16.939 1.00 0.00 C ATOM 651 O LEU A 38 28.747 12.792 -16.892 1.00 0.00 O ATOM 652 CB LEU A 38 31.512 11.114 -17.123 1.00 0.00 C ATOM 653 CG LEU A 38 30.613 9.894 -16.916 1.00 0.00 C ATOM 654 CD1 LEU A 38 30.623 9.008 -18.152 1.00 0.00 C ATOM 655 CD2 LEU A 38 31.056 9.109 -15.690 1.00 0.00 C ATOM 0 H LEU A 38 32.497 13.617 -17.688 1.00 0.00 H new ATOM 0 HA LEU A 38 30.300 11.913 -18.709 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.401 10.797 -17.668 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.845 11.465 -16.146 1.00 0.00 H new ATOM 0 HG LEU A 38 29.593 10.241 -16.752 1.00 0.00 H new ATOM 0 HD11 LEU A 38 29.978 8.145 -17.986 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.258 9.575 -19.009 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.640 8.668 -18.348 1.00 0.00 H new ATOM 0 HD21 LEU A 38 30.406 8.244 -15.557 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.084 8.773 -15.825 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.996 9.747 -14.808 1.00 0.00 H new ATOM 667 N ARG A 39 30.507 14.012 -16.201 1.00 0.00 N ATOM 668 CA ARG A 39 29.724 14.818 -15.273 1.00 0.00 C ATOM 669 C ARG A 39 28.699 15.666 -16.020 1.00 0.00 C ATOM 670 O ARG A 39 27.530 15.722 -15.639 1.00 0.00 O ATOM 671 CB ARG A 39 30.643 15.719 -14.446 1.00 0.00 C ATOM 672 CG ARG A 39 29.897 16.758 -13.623 1.00 0.00 C ATOM 673 CD ARG A 39 30.005 18.142 -14.244 1.00 0.00 C ATOM 674 NE ARG A 39 28.801 18.938 -14.020 1.00 0.00 N ATOM 675 CZ ARG A 39 28.688 20.214 -14.369 1.00 0.00 C ATOM 676 NH1 ARG A 39 29.702 20.837 -14.955 1.00 0.00 N ATOM 677 NH2 ARG A 39 27.560 20.871 -14.132 1.00 0.00 N ATOM 0 H ARG A 39 31.500 14.245 -16.228 1.00 0.00 H new ATOM 0 HA ARG A 39 29.192 14.142 -14.604 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.241 15.099 -13.778 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.337 16.228 -15.115 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.847 16.475 -13.542 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.300 16.780 -12.610 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.866 18.662 -13.824 1.00 0.00 H new ATOM 0 HD3 ARG A 39 30.182 18.046 -15.315 1.00 0.00 H new ATOM 0 HE ARG A 39 28.003 18.489 -13.571 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.571 20.336 -15.139 1.00 0.00 H new ATOM 0 HH12 ARG A 39 29.613 21.817 -15.222 1.00 0.00 H new ATOM 0 HH21 ARG A 39 26.778 20.396 -13.681 1.00 0.00 H new ATOM 0 HH22 ARG A 39 27.475 21.851 -14.401 1.00 0.00 H new ATOM 691 N GLN A 40 29.146 16.325 -17.084 1.00 0.00 N ATOM 692 CA GLN A 40 28.268 17.171 -17.883 1.00 0.00 C ATOM 693 C GLN A 40 27.052 16.388 -18.368 1.00 0.00 C ATOM 694 O GLN A 40 25.932 16.899 -18.364 1.00 0.00 O ATOM 695 CB GLN A 40 29.029 17.746 -19.079 1.00 0.00 C ATOM 696 CG GLN A 40 28.294 18.876 -19.781 1.00 0.00 C ATOM 697 CD GLN A 40 28.972 20.219 -19.592 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.258 20.630 -18.468 1.00 0.00 O ATOM 699 NE2 GLN A 40 29.232 20.911 -20.695 1.00 0.00 N ATOM 0 H GLN A 40 30.111 16.289 -17.413 1.00 0.00 H new ATOM 0 HA GLN A 40 27.922 17.991 -17.253 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.999 18.110 -18.741 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.220 16.947 -19.796 1.00 0.00 H new ATOM 0 HG2 GLN A 40 28.226 18.654 -20.846 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.274 18.932 -19.402 1.00 0.00 H new ATOM 0 HE21 GLN A 40 28.977 20.532 -21.607 1.00 0.00 H new ATOM 0 HE22 GLN A 40 29.686 21.822 -20.630 1.00 0.00 H new ATOM 708 N GLU A 41 27.280 15.147 -18.784 1.00 0.00 N ATOM 709 CA GLU A 41 26.202 14.295 -19.273 1.00 0.00 C ATOM 710 C GLU A 41 25.251 13.918 -18.141 1.00 0.00 C ATOM 711 O GLU A 41 24.034 14.049 -18.270 1.00 0.00 O ATOM 712 CB GLU A 41 26.773 13.030 -19.917 1.00 0.00 C ATOM 713 CG GLU A 41 28.001 13.285 -20.775 1.00 0.00 C ATOM 714 CD GLU A 41 27.782 14.387 -21.793 1.00 0.00 C ATOM 715 OE1 GLU A 41 26.612 14.656 -22.135 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.783 14.979 -22.249 1.00 0.00 O ATOM 0 H GLU A 41 28.201 14.709 -18.792 1.00 0.00 H new ATOM 0 HA GLU A 41 25.643 14.855 -20.023 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.029 12.317 -19.133 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.002 12.565 -20.531 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.840 13.551 -20.132 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.275 12.366 -21.293 1.00 0.00 H new ATOM 723 N MET A 42 25.815 13.450 -17.033 1.00 0.00 N ATOM 724 CA MET A 42 25.018 13.055 -15.878 1.00 0.00 C ATOM 725 C MET A 42 24.171 14.220 -15.377 1.00 0.00 C ATOM 726 O MET A 42 22.960 14.091 -15.202 1.00 0.00 O ATOM 727 CB MET A 42 25.924 12.548 -14.755 1.00 0.00 C ATOM 728 CG MET A 42 26.793 11.368 -15.160 1.00 0.00 C ATOM 729 SD MET A 42 26.398 9.867 -14.244 1.00 0.00 S ATOM 730 CE MET A 42 28.033 9.177 -14.002 1.00 0.00 C ATOM 0 H MET A 42 26.821 13.335 -16.910 1.00 0.00 H new ATOM 0 HA MET A 42 24.351 12.251 -16.187 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.566 13.363 -14.421 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.307 12.259 -13.904 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.670 11.181 -16.227 1.00 0.00 H new ATOM 0 HG3 MET A 42 27.841 11.622 -14.999 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.058 8.621 -13.065 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.271 8.507 -14.828 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.766 9.983 -13.966 1.00 0.00 H new ATOM 740 N VAL A 43 24.817 15.359 -15.147 1.00 0.00 N ATOM 741 CA VAL A 43 24.123 16.548 -14.667 1.00 0.00 C ATOM 742 C VAL A 43 23.113 17.048 -15.694 1.00 0.00 C ATOM 743 O VAL A 43 22.059 17.572 -15.337 1.00 0.00 O ATOM 744 CB VAL A 43 25.113 17.683 -14.343 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.709 18.253 -15.621 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.427 18.773 -13.532 1.00 0.00 C ATOM 0 H VAL A 43 25.820 15.483 -15.285 1.00 0.00 H new ATOM 0 HA VAL A 43 23.598 16.261 -13.756 1.00 0.00 H new ATOM 0 HB VAL A 43 25.926 17.273 -13.743 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.406 19.053 -15.372 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.238 17.466 -16.159 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.911 18.649 -16.250 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.141 19.567 -13.312 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.594 19.182 -14.104 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.054 18.352 -12.599 1.00 0.00 H new ATOM 756 N GLN A 44 23.444 16.881 -16.970 1.00 0.00 N ATOM 757 CA GLN A 44 22.565 17.315 -18.049 1.00 0.00 C ATOM 758 C GLN A 44 21.233 16.572 -17.999 1.00 0.00 C ATOM 759 O GLN A 44 20.167 17.188 -18.020 1.00 0.00 O ATOM 760 CB GLN A 44 23.237 17.090 -19.405 1.00 0.00 C ATOM 761 CG GLN A 44 22.263 16.727 -20.514 1.00 0.00 C ATOM 762 CD GLN A 44 21.199 17.786 -20.726 1.00 0.00 C ATOM 763 OE1 GLN A 44 21.504 18.972 -20.860 1.00 0.00 O ATOM 764 NE2 GLN A 44 19.940 17.363 -20.757 1.00 0.00 N ATOM 0 H GLN A 44 24.314 16.449 -17.282 1.00 0.00 H new ATOM 0 HA GLN A 44 22.371 18.380 -17.919 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.777 17.994 -19.688 1.00 0.00 H new ATOM 0 HB3 GLN A 44 23.976 16.295 -19.307 1.00 0.00 H new ATOM 0 HG2 GLN A 44 22.814 16.580 -21.443 1.00 0.00 H new ATOM 0 HG3 GLN A 44 21.783 15.778 -20.275 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.732 16.371 -20.642 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.181 18.030 -20.896 1.00 0.00 H new ATOM 773 N ARG A 45 21.303 15.247 -17.934 1.00 0.00 N ATOM 774 CA ARG A 45 20.103 14.421 -17.882 1.00 0.00 C ATOM 775 C ARG A 45 19.528 14.385 -16.470 1.00 0.00 C ATOM 776 O ARG A 45 18.400 13.940 -16.259 1.00 0.00 O ATOM 777 CB ARG A 45 20.416 12.999 -18.353 1.00 0.00 C ATOM 778 CG ARG A 45 19.209 12.076 -18.348 1.00 0.00 C ATOM 779 CD ARG A 45 19.227 11.141 -17.149 1.00 0.00 C ATOM 780 NE ARG A 45 19.805 9.840 -17.478 1.00 0.00 N ATOM 781 CZ ARG A 45 19.183 8.925 -18.213 1.00 0.00 C ATOM 782 NH1 ARG A 45 17.971 9.167 -18.694 1.00 0.00 N ATOM 783 NH2 ARG A 45 19.774 7.765 -18.470 1.00 0.00 N ATOM 0 H ARG A 45 22.178 14.722 -17.916 1.00 0.00 H new ATOM 0 HA ARG A 45 19.360 14.862 -18.547 1.00 0.00 H new ATOM 0 HB2 ARG A 45 20.826 13.042 -19.362 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.189 12.575 -17.712 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.295 12.670 -18.334 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.194 11.490 -19.267 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.799 11.598 -16.341 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.210 11.003 -16.781 1.00 0.00 H new ATOM 0 HE ARG A 45 20.737 9.623 -17.124 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.514 10.058 -18.500 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.496 8.462 -19.258 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.707 7.575 -18.103 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.296 7.063 -19.034 1.00 0.00 H new ATOM 797 N ALA A 46 20.311 14.856 -15.505 1.00 0.00 N ATOM 798 CA ALA A 46 19.879 14.879 -14.113 1.00 0.00 C ATOM 799 C ALA A 46 18.907 16.026 -13.859 1.00 0.00 C ATOM 800 O ALA A 46 17.911 15.864 -13.155 1.00 0.00 O ATOM 801 CB ALA A 46 21.083 14.990 -13.189 1.00 0.00 C ATOM 0 H ALA A 46 21.248 15.227 -15.662 1.00 0.00 H new ATOM 0 HA ALA A 46 19.359 13.944 -13.904 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.746 15.006 -12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.740 14.134 -13.344 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.626 15.909 -13.408 1.00 0.00 H new ATOM 807 N ASN A 47 19.204 17.186 -14.436 1.00 0.00 N ATOM 808 CA ASN A 47 18.357 18.361 -14.270 1.00 0.00 C ATOM 809 C ASN A 47 17.841 18.854 -15.618 1.00 0.00 C ATOM 810 O ASN A 47 16.665 19.187 -15.761 1.00 0.00 O ATOM 811 CB ASN A 47 19.130 19.479 -13.567 1.00 0.00 C ATOM 812 CG ASN A 47 20.596 19.501 -13.956 1.00 0.00 C ATOM 813 OD1 ASN A 47 21.447 18.975 -13.239 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.896 20.110 -15.097 1.00 0.00 N ATOM 0 H ASN A 47 20.025 17.337 -15.022 1.00 0.00 H new ATOM 0 HA ASN A 47 17.503 18.078 -13.655 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.677 20.440 -13.812 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.045 19.353 -12.488 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.865 20.155 -15.411 1.00 0.00 H new ATOM 0 HD22 ASN A 47 20.157 20.532 -15.659 1.00 0.00 H new ATOM 821 N GLY A 48 18.730 18.898 -16.606 1.00 0.00 N ATOM 822 CA GLY A 48 18.346 19.351 -17.930 1.00 0.00 C ATOM 823 C GLY A 48 19.230 20.472 -18.439 1.00 0.00 C ATOM 824 O GLY A 48 18.794 21.301 -19.238 1.00 0.00 O ATOM 0 H GLY A 48 19.709 18.628 -16.513 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.392 18.512 -18.625 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.310 19.691 -17.908 1.00 0.00 H new ATOM 828 N ARG A 49 20.474 20.500 -17.972 1.00 0.00 N ATOM 829 CA ARG A 49 21.420 21.531 -18.383 1.00 0.00 C ATOM 830 C ARG A 49 22.796 21.278 -17.774 1.00 0.00 C ATOM 831 O ARG A 49 22.965 20.383 -16.947 1.00 0.00 O ATOM 832 CB ARG A 49 20.913 22.913 -17.969 1.00 0.00 C ATOM 833 CG ARG A 49 21.368 24.031 -18.893 1.00 0.00 C ATOM 834 CD ARG A 49 20.405 25.208 -18.860 1.00 0.00 C ATOM 835 NE ARG A 49 19.453 25.167 -19.967 1.00 0.00 N ATOM 836 CZ ARG A 49 18.693 26.198 -20.320 1.00 0.00 C ATOM 837 NH1 ARG A 49 18.773 27.343 -19.657 1.00 0.00 N ATOM 838 NH2 ARG A 49 17.851 26.084 -21.339 1.00 0.00 N ATOM 0 H ARG A 49 20.850 19.822 -17.310 1.00 0.00 H new ATOM 0 HA ARG A 49 21.509 21.496 -19.469 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.823 22.897 -17.941 1.00 0.00 H new ATOM 0 HB3 ARG A 49 21.255 23.128 -16.957 1.00 0.00 H new ATOM 0 HG2 ARG A 49 22.363 24.365 -18.599 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.447 23.653 -19.912 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.862 25.206 -17.915 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.969 26.140 -18.901 1.00 0.00 H new ATOM 0 HE ARG A 49 19.367 24.300 -20.498 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.419 27.434 -18.873 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.188 28.133 -19.931 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.787 25.205 -21.852 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.268 26.876 -21.610 1.00 0.00 H new ATOM 852 N ASN A 50 23.777 22.074 -18.189 1.00 0.00 N ATOM 853 CA ASN A 50 25.138 21.936 -17.685 1.00 0.00 C ATOM 854 C ASN A 50 25.818 23.298 -17.577 1.00 0.00 C ATOM 855 O ASN A 50 25.612 24.176 -18.415 1.00 0.00 O ATOM 856 CB ASN A 50 25.952 21.018 -18.599 1.00 0.00 C ATOM 857 CG ASN A 50 25.800 21.379 -20.064 1.00 0.00 C ATOM 858 OD1 ASN A 50 26.612 22.118 -20.620 1.00 0.00 O ATOM 859 ND2 ASN A 50 24.756 20.857 -20.697 1.00 0.00 N ATOM 0 H ASN A 50 23.654 22.821 -18.873 1.00 0.00 H new ATOM 0 HA ASN A 50 25.088 21.494 -16.690 1.00 0.00 H new ATOM 0 HB2 ASN A 50 27.005 21.074 -18.321 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.636 19.986 -18.447 1.00 0.00 H new ATOM 0 HD21 ASN A 50 24.602 21.064 -21.684 1.00 0.00 H new ATOM 0 HD22 ASN A 50 24.108 20.249 -20.196 1.00 0.00 H new ATOM 866 N THR A 51 26.631 23.467 -16.538 1.00 0.00 N ATOM 867 CA THR A 51 27.342 24.720 -16.319 1.00 0.00 C ATOM 868 C THR A 51 28.421 24.562 -15.255 1.00 0.00 C ATOM 869 O THR A 51 29.614 24.578 -15.559 1.00 0.00 O ATOM 870 CB THR A 51 26.379 25.845 -15.895 1.00 0.00 C ATOM 871 OG1 THR A 51 27.030 26.725 -14.972 1.00 0.00 O ATOM 872 CG2 THR A 51 25.124 25.270 -15.255 1.00 0.00 C ATOM 0 H THR A 51 26.813 22.751 -15.835 1.00 0.00 H new ATOM 0 HA THR A 51 27.808 24.989 -17.267 1.00 0.00 H new ATOM 0 HB THR A 51 26.091 26.402 -16.787 1.00 0.00 H new ATOM 0 HG1 THR A 51 27.941 26.910 -15.283 1.00 0.00 H new ATOM 0 HG21 THR A 51 24.459 26.083 -14.964 1.00 0.00 H new ATOM 0 HG22 THR A 51 24.615 24.623 -15.969 1.00 0.00 H new ATOM 0 HG23 THR A 51 25.398 24.691 -14.373 1.00 0.00 H new ATOM 880 N PHE A 52 27.995 24.408 -14.005 1.00 0.00 N ATOM 881 CA PHE A 52 28.926 24.247 -12.895 1.00 0.00 C ATOM 882 C PHE A 52 28.545 23.044 -12.036 1.00 0.00 C ATOM 883 O PHE A 52 27.384 22.639 -11.970 1.00 0.00 O ATOM 884 CB PHE A 52 28.953 25.513 -12.036 1.00 0.00 C ATOM 885 CG PHE A 52 28.994 26.781 -12.839 1.00 0.00 C ATOM 886 CD1 PHE A 52 29.887 26.923 -13.889 1.00 0.00 C ATOM 887 CD2 PHE A 52 28.140 27.831 -12.545 1.00 0.00 C ATOM 888 CE1 PHE A 52 29.928 28.089 -14.629 1.00 0.00 C ATOM 889 CE2 PHE A 52 28.175 29.000 -13.282 1.00 0.00 C ATOM 890 CZ PHE A 52 29.070 29.129 -14.326 1.00 0.00 C ATOM 0 H PHE A 52 27.011 24.391 -13.736 1.00 0.00 H new ATOM 0 HA PHE A 52 29.920 24.076 -13.309 1.00 0.00 H new ATOM 0 HB2 PHE A 52 28.071 25.527 -11.395 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.823 25.479 -11.380 1.00 0.00 H new ATOM 0 HD1 PHE A 52 30.559 26.113 -14.132 1.00 0.00 H new ATOM 0 HD2 PHE A 52 27.438 27.735 -11.730 1.00 0.00 H new ATOM 0 HE1 PHE A 52 30.630 28.188 -15.444 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.504 29.811 -13.042 1.00 0.00 H new ATOM 0 HZ PHE A 52 29.099 30.041 -14.904 1.00 0.00 H new ATOM 900 N PRO A 53 29.545 22.458 -11.362 1.00 0.00 N ATOM 901 CA PRO A 53 29.341 21.294 -10.495 1.00 0.00 C ATOM 902 C PRO A 53 28.562 21.642 -9.231 1.00 0.00 C ATOM 903 O PRO A 53 28.399 22.815 -8.895 1.00 0.00 O ATOM 904 CB PRO A 53 30.765 20.859 -10.143 1.00 0.00 C ATOM 905 CG PRO A 53 31.584 22.096 -10.281 1.00 0.00 C ATOM 906 CD PRO A 53 30.954 22.887 -11.393 1.00 0.00 C ATOM 0 HA PRO A 53 28.753 20.518 -10.986 1.00 0.00 H new ATOM 0 HB2 PRO A 53 30.818 20.460 -9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.116 20.075 -10.813 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.590 22.666 -9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.621 21.854 -10.513 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.051 23.960 -11.228 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.419 22.669 -12.354 1.00 0.00 H new ATOM 914 N GLN A 54 28.084 20.616 -8.535 1.00 0.00 N ATOM 915 CA GLN A 54 27.322 20.815 -7.307 1.00 0.00 C ATOM 916 C GLN A 54 26.920 19.478 -6.693 1.00 0.00 C ATOM 917 O GLN A 54 27.210 18.418 -7.248 1.00 0.00 O ATOM 918 CB GLN A 54 26.076 21.657 -7.587 1.00 0.00 C ATOM 919 CG GLN A 54 25.343 21.257 -8.857 1.00 0.00 C ATOM 920 CD GLN A 54 24.877 19.814 -8.832 1.00 0.00 C ATOM 921 OE1 GLN A 54 25.135 19.050 -9.762 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.185 19.434 -7.764 1.00 0.00 N ATOM 0 H GLN A 54 28.210 19.639 -8.800 1.00 0.00 H new ATOM 0 HA GLN A 54 27.957 21.344 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.393 21.572 -6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.365 22.705 -7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.482 21.911 -8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.000 21.408 -9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.994 20.101 -7.016 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.844 18.475 -7.692 1.00 0.00 H new ATOM 931 N ILE A 55 26.252 19.537 -5.546 1.00 0.00 N ATOM 932 CA ILE A 55 25.810 18.330 -4.858 1.00 0.00 C ATOM 933 C ILE A 55 24.352 18.017 -5.178 1.00 0.00 C ATOM 934 O ILE A 55 23.457 18.809 -4.884 1.00 0.00 O ATOM 935 CB ILE A 55 25.971 18.462 -3.332 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.448 18.619 -2.965 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.371 17.253 -2.630 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.951 20.041 -3.081 1.00 0.00 C ATOM 0 H ILE A 55 26.005 20.407 -5.074 1.00 0.00 H new ATOM 0 HA ILE A 55 26.441 17.515 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 55 25.437 19.353 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.599 18.271 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.045 17.977 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.492 17.361 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.310 17.182 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.880 16.349 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 55 29.005 20.078 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.832 20.386 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.379 20.685 -2.413 1.00 0.00 H new ATOM 950 N PHE A 56 24.121 16.856 -5.782 1.00 0.00 N ATOM 951 CA PHE A 56 22.771 16.437 -6.142 1.00 0.00 C ATOM 952 C PHE A 56 22.171 15.546 -5.058 1.00 0.00 C ATOM 953 O PHE A 56 22.857 14.697 -4.488 1.00 0.00 O ATOM 954 CB PHE A 56 22.785 15.694 -7.479 1.00 0.00 C ATOM 955 CG PHE A 56 21.914 16.328 -8.526 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.573 15.995 -8.625 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.437 17.256 -9.412 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.769 16.576 -9.587 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.637 17.841 -10.376 1.00 0.00 C ATOM 960 CZ PHE A 56 20.302 17.500 -10.464 1.00 0.00 C ATOM 0 H PHE A 56 24.851 16.189 -6.032 1.00 0.00 H new ATOM 0 HA PHE A 56 22.153 17.330 -6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.809 15.648 -7.849 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.457 14.667 -7.318 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.151 15.273 -7.942 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.481 17.525 -9.349 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.725 16.308 -9.653 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.056 18.564 -11.060 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.676 17.955 -11.217 1.00 0.00 H new ATOM 970 N ILE A 57 20.888 15.746 -4.780 1.00 0.00 N ATOM 971 CA ILE A 57 20.195 14.961 -3.766 1.00 0.00 C ATOM 972 C ILE A 57 18.767 14.644 -4.197 1.00 0.00 C ATOM 973 O ILE A 57 17.967 15.545 -4.444 1.00 0.00 O ATOM 974 CB ILE A 57 20.159 15.696 -2.413 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.763 17.160 -2.613 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.511 15.597 -1.721 1.00 0.00 C ATOM 977 CD1 ILE A 57 19.482 17.892 -1.319 1.00 0.00 C ATOM 0 H ILE A 57 20.307 16.445 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 57 20.752 14.031 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 57 19.411 15.221 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.562 17.675 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.877 17.205 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.470 16.121 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.756 14.549 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.276 16.050 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.207 18.924 -1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.662 17.402 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.374 17.878 -0.692 1.00 0.00 H new ATOM 989 N GLY A 58 18.454 13.354 -4.283 1.00 0.00 N ATOM 990 CA GLY A 58 17.121 12.940 -4.683 1.00 0.00 C ATOM 991 C GLY A 58 16.642 13.654 -5.931 1.00 0.00 C ATOM 992 O GLY A 58 15.492 14.087 -6.004 1.00 0.00 O ATOM 0 H GLY A 58 19.099 12.589 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.116 11.864 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.424 13.133 -3.868 1.00 0.00 H new ATOM 996 N ASP A 59 17.526 13.778 -6.915 1.00 0.00 N ATOM 997 CA ASP A 59 17.187 14.445 -8.167 1.00 0.00 C ATOM 998 C ASP A 59 16.962 15.937 -7.944 1.00 0.00 C ATOM 999 O ASP A 59 16.160 16.565 -8.637 1.00 0.00 O ATOM 1000 CB ASP A 59 15.937 13.815 -8.784 1.00 0.00 C ATOM 1001 CG ASP A 59 15.893 13.972 -10.291 1.00 0.00 C ATOM 1002 OD1 ASP A 59 16.489 13.128 -10.993 1.00 0.00 O ATOM 1003 OD2 ASP A 59 15.264 14.939 -10.769 1.00 0.00 O ATOM 0 H ASP A 59 18.482 13.426 -6.870 1.00 0.00 H new ATOM 0 HA ASP A 59 18.024 14.320 -8.854 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.905 12.755 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.050 14.274 -8.348 1.00 0.00 H new ATOM 1008 N TYR A 60 17.674 16.499 -6.974 1.00 0.00 N ATOM 1009 CA TYR A 60 17.550 17.917 -6.657 1.00 0.00 C ATOM 1010 C TYR A 60 18.911 18.524 -6.331 1.00 0.00 C ATOM 1011 O TYR A 60 19.487 18.256 -5.276 1.00 0.00 O ATOM 1012 CB TYR A 60 16.595 18.116 -5.479 1.00 0.00 C ATOM 1013 CG TYR A 60 16.617 19.517 -4.911 1.00 0.00 C ATOM 1014 CD1 TYR A 60 17.520 19.871 -3.916 1.00 0.00 C ATOM 1015 CD2 TYR A 60 15.736 20.488 -5.372 1.00 0.00 C ATOM 1016 CE1 TYR A 60 17.543 21.150 -3.395 1.00 0.00 C ATOM 1017 CE2 TYR A 60 15.753 21.770 -4.857 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.658 22.096 -3.869 1.00 0.00 C ATOM 1019 OH TYR A 60 16.678 23.371 -3.353 1.00 0.00 O ATOM 0 H TYR A 60 18.343 15.994 -6.393 1.00 0.00 H new ATOM 0 HA TYR A 60 17.147 18.425 -7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.581 17.879 -5.801 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.852 17.409 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 60 18.216 19.134 -3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 60 15.026 20.236 -6.146 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.250 21.408 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 60 15.061 22.513 -5.226 1.00 0.00 H new ATOM 0 HH TYR A 60 15.993 23.914 -3.796 1.00 0.00 H new ATOM 1029 N HIS A 61 19.420 19.343 -7.246 1.00 0.00 N ATOM 1030 CA HIS A 61 20.714 19.990 -7.057 1.00 0.00 C ATOM 1031 C HIS A 61 20.683 20.924 -5.851 1.00 0.00 C ATOM 1032 O HIS A 61 19.678 21.587 -5.592 1.00 0.00 O ATOM 1033 CB HIS A 61 21.105 20.771 -8.312 1.00 0.00 C ATOM 1034 CG HIS A 61 20.015 21.657 -8.830 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.054 21.226 -9.720 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.736 22.957 -8.578 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.231 22.222 -9.994 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.623 23.285 -9.314 1.00 0.00 N ATOM 0 H HIS A 61 18.957 19.574 -8.125 1.00 0.00 H new ATOM 0 HA HIS A 61 21.458 19.214 -6.874 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.983 21.379 -8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.392 20.067 -9.093 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.286 23.614 -7.921 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.382 22.176 -10.660 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.173 24.200 -9.332 1.00 0.00 H new ATOM 1046 N VAL A 62 21.790 20.972 -5.116 1.00 0.00 N ATOM 1047 CA VAL A 62 21.890 21.825 -3.938 1.00 0.00 C ATOM 1048 C VAL A 62 22.679 23.092 -4.243 1.00 0.00 C ATOM 1049 O VAL A 62 22.124 24.190 -4.274 1.00 0.00 O ATOM 1050 CB VAL A 62 22.560 21.085 -2.765 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.734 22.017 -1.575 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.749 19.857 -2.377 1.00 0.00 C ATOM 0 H VAL A 62 22.630 20.430 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 62 20.873 22.094 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 62 23.548 20.754 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.209 21.477 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.359 22.862 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.759 22.381 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.237 19.346 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.747 20.163 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.682 19.181 -3.230 1.00 0.00 H new ATOM 1062 N GLY A 63 23.980 22.933 -4.467 1.00 0.00 N ATOM 1063 CA GLY A 63 24.826 24.074 -4.767 1.00 0.00 C ATOM 1064 C GLY A 63 26.261 23.863 -4.327 1.00 0.00 C ATOM 1065 O GLY A 63 27.162 23.747 -5.157 1.00 0.00 O ATOM 0 H GLY A 63 24.463 22.035 -4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.803 24.268 -5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.425 24.960 -4.274 1.00 0.00 H new ATOM 1069 N GLY A 64 26.475 23.815 -3.015 1.00 0.00 N ATOM 1070 CA GLY A 64 27.814 23.619 -2.489 1.00 0.00 C ATOM 1071 C GLY A 64 27.851 22.602 -1.365 1.00 0.00 C ATOM 1072 O GLY A 64 26.839 21.973 -1.054 1.00 0.00 O ATOM 0 H GLY A 64 25.746 23.908 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.473 23.292 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 64 28.202 24.571 -2.127 1.00 0.00 H new ATOM 1076 N CYS A 65 29.020 22.440 -0.755 1.00 0.00 N ATOM 1077 CA CYS A 65 29.186 21.491 0.339 1.00 0.00 C ATOM 1078 C CYS A 65 28.479 21.982 1.598 1.00 0.00 C ATOM 1079 O CYS A 65 27.527 21.360 2.071 1.00 0.00 O ATOM 1080 CB CYS A 65 30.672 21.269 0.629 1.00 0.00 C ATOM 1081 SG CYS A 65 31.625 20.704 -0.800 1.00 0.00 S ATOM 0 H CYS A 65 29.867 22.954 -1.000 1.00 0.00 H new ATOM 0 HA CYS A 65 28.736 20.545 0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 65 31.103 22.201 0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.770 20.537 1.430 1.00 0.00 H new ATOM 0 HG CYS A 65 32.729 20.150 -0.394 1.00 0.00 H new ATOM 1087 N ASP A 66 28.950 23.102 2.136 1.00 0.00 N ATOM 1088 CA ASP A 66 28.363 23.677 3.341 1.00 0.00 C ATOM 1089 C ASP A 66 26.867 23.911 3.158 1.00 0.00 C ATOM 1090 O ASP A 66 26.109 23.932 4.128 1.00 0.00 O ATOM 1091 CB ASP A 66 29.058 24.993 3.693 1.00 0.00 C ATOM 1092 CG ASP A 66 28.605 25.547 5.030 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.082 24.764 5.851 1.00 0.00 O ATOM 1094 OD2 ASP A 66 28.775 26.763 5.256 1.00 0.00 O ATOM 0 H ASP A 66 29.736 23.630 1.757 1.00 0.00 H new ATOM 0 HA ASP A 66 28.504 22.970 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 66 30.137 24.837 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.858 25.727 2.912 1.00 0.00 H new ATOM 1099 N ASP A 67 26.449 24.086 1.909 1.00 0.00 N ATOM 1100 CA ASP A 67 25.043 24.318 1.599 1.00 0.00 C ATOM 1101 C ASP A 67 24.163 23.240 2.225 1.00 0.00 C ATOM 1102 O ASP A 67 23.231 23.541 2.971 1.00 0.00 O ATOM 1103 CB ASP A 67 24.832 24.350 0.084 1.00 0.00 C ATOM 1104 CG ASP A 67 25.519 25.531 -0.571 1.00 0.00 C ATOM 1105 OD1 ASP A 67 26.760 25.626 -0.472 1.00 0.00 O ATOM 1106 OD2 ASP A 67 24.815 26.361 -1.184 1.00 0.00 O ATOM 0 H ASP A 67 27.064 24.072 1.095 1.00 0.00 H new ATOM 0 HA ASP A 67 24.758 25.283 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.210 23.426 -0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.764 24.390 -0.130 1.00 0.00 H new ATOM 1111 N LEU A 68 24.465 21.984 1.916 1.00 0.00 N ATOM 1112 CA LEU A 68 23.702 20.860 2.448 1.00 0.00 C ATOM 1113 C LEU A 68 23.593 20.946 3.967 1.00 0.00 C ATOM 1114 O LEU A 68 22.554 20.623 4.544 1.00 0.00 O ATOM 1115 CB LEU A 68 24.357 19.537 2.046 1.00 0.00 C ATOM 1116 CG LEU A 68 25.583 19.121 2.859 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.167 18.300 4.069 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.558 18.340 1.991 1.00 0.00 C ATOM 0 H LEU A 68 25.233 21.718 1.300 1.00 0.00 H new ATOM 0 HA LEU A 68 22.697 20.903 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.610 18.747 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.646 19.602 0.997 1.00 0.00 H new ATOM 0 HG LEU A 68 26.084 20.022 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.053 18.013 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.508 18.894 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.642 17.404 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.425 18.052 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 68 26.068 17.445 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.881 18.962 1.157 1.00 0.00 H new ATOM 1130 N TYR A 69 24.670 21.386 4.608 1.00 0.00 N ATOM 1131 CA TYR A 69 24.695 21.514 6.060 1.00 0.00 C ATOM 1132 C TYR A 69 23.766 22.632 6.525 1.00 0.00 C ATOM 1133 O TYR A 69 22.930 22.433 7.405 1.00 0.00 O ATOM 1134 CB TYR A 69 26.121 21.786 6.544 1.00 0.00 C ATOM 1135 CG TYR A 69 26.698 20.670 7.385 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.050 19.454 6.812 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.891 20.831 8.751 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.577 18.431 7.577 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.419 19.815 9.523 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.761 18.616 8.931 1.00 0.00 C ATOM 1141 OH TYR A 69 28.286 17.600 9.697 1.00 0.00 O ATOM 0 H TYR A 69 25.537 21.660 4.145 1.00 0.00 H new ATOM 0 HA TYR A 69 24.346 20.575 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.765 21.948 5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.129 22.709 7.125 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.909 19.306 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.623 21.767 9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.843 17.491 7.117 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.563 19.958 10.584 1.00 0.00 H new ATOM 0 HH TYR A 69 28.351 17.894 10.630 1.00 0.00 H new ATOM 1151 N ALA A 70 23.920 23.807 5.925 1.00 0.00 N ATOM 1152 CA ALA A 70 23.094 24.957 6.274 1.00 0.00 C ATOM 1153 C ALA A 70 21.615 24.655 6.061 1.00 0.00 C ATOM 1154 O ALA A 70 20.768 25.051 6.863 1.00 0.00 O ATOM 1155 CB ALA A 70 23.510 26.172 5.459 1.00 0.00 C ATOM 0 H ALA A 70 24.609 23.988 5.195 1.00 0.00 H new ATOM 0 HA ALA A 70 23.245 25.174 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.885 27.023 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.554 26.408 5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.389 25.957 4.397 1.00 0.00 H new ATOM 1161 N LEU A 71 21.310 23.953 4.975 1.00 0.00 N ATOM 1162 CA LEU A 71 19.931 23.599 4.655 1.00 0.00 C ATOM 1163 C LEU A 71 19.353 22.659 5.708 1.00 0.00 C ATOM 1164 O LEU A 71 18.320 22.948 6.312 1.00 0.00 O ATOM 1165 CB LEU A 71 19.859 22.943 3.275 1.00 0.00 C ATOM 1166 CG LEU A 71 20.303 23.810 2.096 1.00 0.00 C ATOM 1167 CD1 LEU A 71 20.693 22.940 0.911 1.00 0.00 C ATOM 1168 CD2 LEU A 71 19.200 24.784 1.706 1.00 0.00 C ATOM 0 H LEU A 71 21.999 23.618 4.301 1.00 0.00 H new ATOM 0 HA LEU A 71 19.339 24.514 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.474 22.043 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.832 22.624 3.099 1.00 0.00 H new ATOM 0 HG LEU A 71 21.177 24.385 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.006 23.574 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 71 21.515 22.284 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.838 22.338 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 71 19.533 25.393 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 71 18.308 24.227 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.969 25.430 2.553 1.00 0.00 H new ATOM 1180 N GLU A 72 20.027 21.533 5.924 1.00 0.00 N ATOM 1181 CA GLU A 72 19.579 20.552 6.906 1.00 0.00 C ATOM 1182 C GLU A 72 19.458 21.183 8.290 1.00 0.00 C ATOM 1183 O GLU A 72 18.661 20.743 9.117 1.00 0.00 O ATOM 1184 CB GLU A 72 20.549 19.369 6.956 1.00 0.00 C ATOM 1185 CG GLU A 72 21.911 19.722 7.529 1.00 0.00 C ATOM 1186 CD GLU A 72 22.736 18.497 7.870 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.301 17.376 7.530 1.00 0.00 O ATOM 1188 OE2 GLU A 72 23.816 18.657 8.476 1.00 0.00 O ATOM 0 H GLU A 72 20.884 21.278 5.433 1.00 0.00 H new ATOM 0 HA GLU A 72 18.595 20.194 6.602 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.107 18.573 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 72 20.679 18.974 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 72 22.456 20.334 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.778 20.327 8.426 1.00 0.00 H new ATOM 1195 N ASN A 73 20.256 22.218 8.534 1.00 0.00 N ATOM 1196 CA ASN A 73 20.240 22.910 9.817 1.00 0.00 C ATOM 1197 C ASN A 73 19.172 23.999 9.835 1.00 0.00 C ATOM 1198 O ASN A 73 18.692 24.396 10.896 1.00 0.00 O ATOM 1199 CB ASN A 73 21.612 23.521 10.108 1.00 0.00 C ATOM 1200 CG ASN A 73 21.693 24.128 11.496 1.00 0.00 C ATOM 1201 OD1 ASN A 73 22.111 25.274 11.661 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.291 23.359 12.502 1.00 0.00 N ATOM 0 H ASN A 73 20.922 22.596 7.860 1.00 0.00 H new ATOM 0 HA ASN A 73 20.003 22.181 10.591 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.378 22.752 10.005 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.830 24.289 9.366 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.322 23.713 13.458 1.00 0.00 H new ATOM 0 HD22 ASN A 73 20.952 22.415 12.318 1.00 0.00 H new ATOM 1209 N LYS A 74 18.804 24.478 8.651 1.00 0.00 N ATOM 1210 CA LYS A 74 17.791 25.520 8.528 1.00 0.00 C ATOM 1211 C LYS A 74 16.389 24.930 8.634 1.00 0.00 C ATOM 1212 O LYS A 74 15.434 25.632 8.965 1.00 0.00 O ATOM 1213 CB LYS A 74 17.947 26.256 7.196 1.00 0.00 C ATOM 1214 CG LYS A 74 18.529 27.652 7.337 1.00 0.00 C ATOM 1215 CD LYS A 74 19.941 27.613 7.897 1.00 0.00 C ATOM 1216 CE LYS A 74 20.359 28.967 8.451 1.00 0.00 C ATOM 1217 NZ LYS A 74 20.689 29.932 7.367 1.00 0.00 N ATOM 0 H LYS A 74 19.192 24.161 7.763 1.00 0.00 H new ATOM 0 HA LYS A 74 17.931 26.227 9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.588 25.669 6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.973 26.325 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.536 28.144 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.893 28.248 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.000 26.862 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.636 27.309 7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.555 29.372 9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.225 28.842 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.969 30.842 7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.473 29.558 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.855 30.072 6.761 1.00 0.00 H new ATOM 1231 N GLY A 75 16.272 23.636 8.353 1.00 0.00 N ATOM 1232 CA GLY A 75 14.983 22.974 8.424 1.00 0.00 C ATOM 1233 C GLY A 75 14.712 22.101 7.214 1.00 0.00 C ATOM 1234 O GLY A 75 13.668 21.453 7.128 1.00 0.00 O ATOM 0 H GLY A 75 17.048 23.034 8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.941 22.363 9.326 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.197 23.724 8.510 1.00 0.00 H new ATOM 1238 N LYS A 76 15.652 22.085 6.276 1.00 0.00 N ATOM 1239 CA LYS A 76 15.511 21.286 5.065 1.00 0.00 C ATOM 1240 C LYS A 76 16.043 19.872 5.280 1.00 0.00 C ATOM 1241 O LYS A 76 16.205 19.107 4.328 1.00 0.00 O ATOM 1242 CB LYS A 76 16.251 21.950 3.902 1.00 0.00 C ATOM 1243 CG LYS A 76 16.005 23.445 3.798 1.00 0.00 C ATOM 1244 CD LYS A 76 14.557 23.748 3.450 1.00 0.00 C ATOM 1245 CE LYS A 76 14.202 23.250 2.057 1.00 0.00 C ATOM 1246 NZ LYS A 76 13.573 21.901 2.094 1.00 0.00 N ATOM 0 H LYS A 76 16.521 22.617 6.331 1.00 0.00 H new ATOM 0 HA LYS A 76 14.450 21.223 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.321 21.773 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.946 21.475 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.261 23.924 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.660 23.871 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.900 23.280 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.385 24.823 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.520 23.956 1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.102 23.214 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.243 21.195 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.321 21.662 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.715 21.902 1.506 1.00 0.00 H new ATOM 1260 N LEU A 77 16.312 19.531 6.535 1.00 0.00 N ATOM 1261 CA LEU A 77 16.825 18.208 6.875 1.00 0.00 C ATOM 1262 C LEU A 77 15.891 17.115 6.366 1.00 0.00 C ATOM 1263 O LEU A 77 16.342 16.079 5.876 1.00 0.00 O ATOM 1264 CB LEU A 77 16.999 18.081 8.390 1.00 0.00 C ATOM 1265 CG LEU A 77 17.132 16.658 8.933 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.352 16.543 9.833 1.00 0.00 C ATOM 1267 CD2 LEU A 77 15.872 16.254 9.685 1.00 0.00 C ATOM 0 H LEU A 77 16.184 20.152 7.334 1.00 0.00 H new ATOM 0 HA LEU A 77 17.795 18.086 6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.885 18.644 8.682 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.146 18.555 8.875 1.00 0.00 H new ATOM 0 HG LEU A 77 17.262 15.978 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.431 15.523 10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.248 16.790 9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.253 17.233 10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.985 15.238 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.711 16.937 10.519 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.017 16.297 9.011 1.00 0.00 H new ATOM 1279 N ASP A 78 14.590 17.354 6.482 1.00 0.00 N ATOM 1280 CA ASP A 78 13.592 16.391 6.030 1.00 0.00 C ATOM 1281 C ASP A 78 13.818 16.020 4.568 1.00 0.00 C ATOM 1282 O ASP A 78 13.856 14.841 4.215 1.00 0.00 O ATOM 1283 CB ASP A 78 12.184 16.959 6.214 1.00 0.00 C ATOM 1284 CG ASP A 78 11.592 16.614 7.566 1.00 0.00 C ATOM 1285 OD1 ASP A 78 11.020 15.512 7.699 1.00 0.00 O ATOM 1286 OD2 ASP A 78 11.701 17.446 8.491 1.00 0.00 O ATOM 0 H ASP A 78 14.201 18.206 6.885 1.00 0.00 H new ATOM 0 HA ASP A 78 13.693 15.489 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.215 18.043 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.535 16.574 5.428 1.00 0.00 H new ATOM 1291 N SER A 79 13.967 17.034 3.722 1.00 0.00 N ATOM 1292 CA SER A 79 14.184 16.815 2.297 1.00 0.00 C ATOM 1293 C SER A 79 15.518 16.116 2.051 1.00 0.00 C ATOM 1294 O SER A 79 15.588 15.124 1.325 1.00 0.00 O ATOM 1295 CB SER A 79 14.147 18.146 1.543 1.00 0.00 C ATOM 1296 OG SER A 79 14.109 17.938 0.142 1.00 0.00 O ATOM 0 H SER A 79 13.941 18.015 3.999 1.00 0.00 H new ATOM 0 HA SER A 79 13.384 16.174 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.273 18.719 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.024 18.739 1.802 1.00 0.00 H new ATOM 0 HG SER A 79 14.084 18.804 -0.317 1.00 0.00 H new ATOM 1302 N LEU A 80 16.574 16.640 2.663 1.00 0.00 N ATOM 1303 CA LEU A 80 17.907 16.067 2.512 1.00 0.00 C ATOM 1304 C LEU A 80 17.909 14.587 2.881 1.00 0.00 C ATOM 1305 O LEU A 80 18.373 13.745 2.112 1.00 0.00 O ATOM 1306 CB LEU A 80 18.910 16.823 3.385 1.00 0.00 C ATOM 1307 CG LEU A 80 19.675 17.957 2.700 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.711 17.397 1.738 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.714 18.884 1.971 1.00 0.00 C ATOM 0 H LEU A 80 16.533 17.460 3.268 1.00 0.00 H new ATOM 0 HA LEU A 80 18.200 16.162 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.377 17.236 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.634 16.107 3.775 1.00 0.00 H new ATOM 0 HG LEU A 80 20.194 18.534 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.245 18.218 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.418 16.775 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.213 16.796 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.276 19.685 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.167 18.320 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.010 19.313 2.685 1.00 0.00 H new ATOM 1321 N LEU A 81 17.386 14.277 4.062 1.00 0.00 N ATOM 1322 CA LEU A 81 17.324 12.898 4.533 1.00 0.00 C ATOM 1323 C LEU A 81 16.476 12.040 3.600 1.00 0.00 C ATOM 1324 O LEU A 81 16.813 10.890 3.321 1.00 0.00 O ATOM 1325 CB LEU A 81 16.752 12.847 5.951 1.00 0.00 C ATOM 1326 CG LEU A 81 17.739 12.481 7.060 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.447 13.724 7.577 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.024 11.762 8.195 1.00 0.00 C ATOM 0 H LEU A 81 16.999 14.962 4.711 1.00 0.00 H new ATOM 0 HA LEU A 81 18.338 12.499 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.321 13.821 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.935 12.125 5.966 1.00 0.00 H new ATOM 0 HG LEU A 81 18.488 11.807 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.145 13.444 8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.993 14.198 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.711 14.423 7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.742 11.509 8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.253 12.412 8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.565 10.849 7.815 1.00 0.00 H new ATOM 1340 N GLN A 82 15.375 12.610 3.119 1.00 0.00 N ATOM 1341 CA GLN A 82 14.480 11.898 2.215 1.00 0.00 C ATOM 1342 C GLN A 82 15.128 11.703 0.848 1.00 0.00 C ATOM 1343 O GLN A 82 14.761 10.796 0.100 1.00 0.00 O ATOM 1344 CB GLN A 82 13.162 12.660 2.064 1.00 0.00 C ATOM 1345 CG GLN A 82 12.271 12.120 0.956 1.00 0.00 C ATOM 1346 CD GLN A 82 10.857 12.662 1.029 1.00 0.00 C ATOM 1347 OE1 GLN A 82 9.910 11.924 1.304 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.706 13.958 0.783 1.00 0.00 N ATOM 0 H GLN A 82 15.082 13.562 3.340 1.00 0.00 H new ATOM 0 HA GLN A 82 14.277 10.916 2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.619 12.620 3.008 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.379 13.710 1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.705 12.375 -0.011 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.243 11.032 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.518 14.533 0.559 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.778 14.379 0.818 1.00 0.00 H new ATOM 1357 N ASP A 83 16.092 12.559 0.528 1.00 0.00 N ATOM 1358 CA ASP A 83 16.792 12.480 -0.749 1.00 0.00 C ATOM 1359 C ASP A 83 17.951 11.491 -0.673 1.00 0.00 C ATOM 1360 O ASP A 83 18.191 10.728 -1.609 1.00 0.00 O ATOM 1361 CB ASP A 83 17.309 13.861 -1.157 1.00 0.00 C ATOM 1362 CG ASP A 83 16.217 14.741 -1.733 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.088 14.241 -1.920 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.492 15.930 -1.996 1.00 0.00 O ATOM 0 H ASP A 83 16.407 13.316 1.135 1.00 0.00 H new ATOM 0 HA ASP A 83 16.086 12.128 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.748 14.353 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.104 13.745 -1.893 1.00 0.00 H new ATOM 1369 N VAL A 84 18.667 11.511 0.447 1.00 0.00 N ATOM 1370 CA VAL A 84 19.800 10.615 0.644 1.00 0.00 C ATOM 1371 C VAL A 84 19.334 9.210 1.009 1.00 0.00 C ATOM 1372 O VAL A 84 19.967 8.220 0.641 1.00 0.00 O ATOM 1373 CB VAL A 84 20.740 11.135 1.749 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.295 12.502 1.378 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.012 11.190 3.084 1.00 0.00 C ATOM 0 H VAL A 84 18.483 12.137 1.231 1.00 0.00 H new ATOM 0 HA VAL A 84 20.344 10.580 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 84 21.577 10.444 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.957 12.853 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.854 12.427 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.473 13.207 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.690 11.559 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.155 11.859 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.668 10.191 3.352 1.00 0.00 H new ATOM 1385 N HIS A 85 18.223 9.131 1.734 1.00 0.00 N ATOM 1386 CA HIS A 85 17.670 7.846 2.147 1.00 0.00 C ATOM 1387 C HIS A 85 17.457 6.934 0.943 1.00 0.00 C ATOM 1388 O HIS A 85 17.874 5.775 0.948 1.00 0.00 O ATOM 1389 CB HIS A 85 16.349 8.050 2.888 1.00 0.00 C ATOM 1390 CG HIS A 85 16.509 8.193 4.371 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.445 8.181 5.247 1.00 0.00 N ATOM 1392 CD2 HIS A 85 17.618 8.350 5.130 1.00 0.00 C ATOM 1393 CE1 HIS A 85 15.892 8.326 6.482 1.00 0.00 C ATOM 1394 NE2 HIS A 85 17.208 8.430 6.438 1.00 0.00 N ATOM 0 H HIS A 85 17.688 9.941 2.048 1.00 0.00 H new ATOM 0 HA HIS A 85 18.384 7.370 2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.856 8.940 2.497 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.692 7.205 2.682 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.636 8.403 4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.285 8.355 7.375 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.820 8.550 7.245 1.00 0.00 H new