USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 484 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 Single : A 18 CYS SG : rot -100:sc= -3.5! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.328 K(o=-0.33,f=-1.2) USER MOD Single : A 25 MET CE :methyl 139:sc= -0.592 (180deg=-3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 37:sc= 0.1 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.869 K(o=-0.87,f=-1.6) USER MOD Single : A 50 THR OG1 : rot -61:sc= -0.311! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.963 USER MOD Single : A 59 CYS SG : rot 33:sc= 0.954 USER MOD Single : A 64 MET CE :methyl 144:sc= -0.451 (180deg=-1.61) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc=-0.00827 (180deg=-0.136) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.017 (180deg=-0.181) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc=-0.00952 (180deg=-0.0804) USER MOD Single : A 73 SER OG : rot -36:sc= 1.09 USER MOD Single : A 83 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 29 N ILE A 17 -9.934 6.512 4.439 1.00 0.70 N ATOM 30 CA ILE A 17 -10.764 6.187 3.284 1.00 0.64 C ATOM 31 C ILE A 17 -11.235 4.737 3.352 1.00 0.57 C ATOM 32 O ILE A 17 -12.386 4.432 3.037 1.00 0.57 O ATOM 33 CB ILE A 17 -10.021 6.438 1.946 1.00 0.65 C ATOM 34 CG1 ILE A 17 -9.806 7.937 1.723 1.00 0.74 C ATOM 35 CG2 ILE A 17 -10.796 5.848 0.775 1.00 0.65 C ATOM 36 CD1 ILE A 17 -8.786 8.561 2.644 1.00 0.80 C ATOM 0 HA ILE A 17 -11.629 6.849 3.315 1.00 0.64 H new ATOM 0 HB ILE A 17 -9.050 5.945 2.005 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -9.493 8.098 0.691 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -10.758 8.452 1.852 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -10.255 6.037 -0.152 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -10.908 4.773 0.917 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -11.781 6.311 0.721 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -8.695 9.624 2.419 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -9.105 8.435 3.679 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -7.821 8.076 2.500 1.00 0.80 H new ATOM 48 N CYS A 18 -10.354 3.859 3.811 1.00 0.55 N ATOM 49 CA CYS A 18 -10.660 2.436 3.909 1.00 0.51 C ATOM 50 C CYS A 18 -11.639 2.211 5.052 1.00 0.53 C ATOM 51 O CYS A 18 -12.601 1.450 4.939 1.00 0.51 O ATOM 52 CB CYS A 18 -9.368 1.643 4.143 1.00 0.52 C ATOM 53 SG CYS A 18 -9.590 -0.148 4.272 1.00 1.35 S ATOM 0 H CYS A 18 -9.416 4.108 4.124 1.00 0.55 H new ATOM 0 HA CYS A 18 -11.114 2.091 2.980 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.677 1.851 3.326 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -8.898 2.004 5.058 1.00 0.52 H new ATOM 0 HG CYS A 18 -9.574 -0.498 5.524 1.00 1.35 H new ATOM 59 N LEU A 19 -11.390 2.921 6.138 1.00 0.58 N ATOM 60 CA LEU A 19 -12.221 2.856 7.325 1.00 0.63 C ATOM 61 C LEU A 19 -13.630 3.344 6.992 1.00 0.63 C ATOM 62 O LEU A 19 -14.628 2.742 7.394 1.00 0.63 O ATOM 63 CB LEU A 19 -11.581 3.722 8.405 1.00 0.72 C ATOM 64 CG LEU A 19 -11.873 3.332 9.861 1.00 0.83 C ATOM 65 CD1 LEU A 19 -11.099 4.231 10.811 1.00 1.14 C ATOM 66 CD2 LEU A 19 -13.359 3.395 10.166 1.00 1.16 C ATOM 0 H LEU A 19 -10.601 3.562 6.221 1.00 0.58 H new ATOM 0 HA LEU A 19 -12.298 1.830 7.686 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -10.501 3.707 8.258 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -11.909 4.751 8.255 1.00 0.72 H new ATOM 0 HG LEU A 19 -11.548 2.301 10.003 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -11.315 3.944 11.840 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -10.031 4.127 10.622 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -11.396 5.268 10.654 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -13.529 3.113 11.205 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -13.722 4.410 10.001 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -13.894 2.708 9.511 1.00 1.16 H new ATOM 78 N ARG A 20 -13.695 4.428 6.231 1.00 0.64 N ATOM 79 CA ARG A 20 -14.965 5.034 5.835 1.00 0.65 C ATOM 80 C ARG A 20 -15.796 4.063 5.007 1.00 0.58 C ATOM 81 O ARG A 20 -17.021 4.051 5.088 1.00 0.60 O ATOM 82 CB ARG A 20 -14.707 6.302 5.026 1.00 0.69 C ATOM 83 CG ARG A 20 -15.970 7.078 4.717 1.00 0.82 C ATOM 84 CD ARG A 20 -16.482 7.828 5.933 1.00 1.37 C ATOM 85 NE ARG A 20 -17.678 8.608 5.625 1.00 2.06 N ATOM 86 CZ ARG A 20 -18.197 9.523 6.437 1.00 2.90 C ATOM 87 NH1 ARG A 20 -17.646 9.752 7.626 1.00 3.23 N ATOM 88 NH2 ARG A 20 -19.275 10.203 6.065 1.00 3.84 N ATOM 0 H ARG A 20 -12.873 4.913 5.870 1.00 0.64 H new ATOM 0 HA ARG A 20 -15.519 5.283 6.740 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -14.019 6.944 5.577 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -14.214 6.035 4.091 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -15.775 7.784 3.910 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -16.740 6.393 4.362 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -16.706 7.119 6.730 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -15.702 8.491 6.306 1.00 1.37 H new ATOM 0 HE ARG A 20 -18.143 8.440 4.733 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -16.823 9.225 7.917 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -18.047 10.455 8.247 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -19.704 10.023 5.157 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -19.675 10.906 6.687 1.00 3.84 H new ATOM 102 N LYS A 21 -15.116 3.242 4.216 1.00 0.51 N ATOM 103 CA LYS A 21 -15.769 2.259 3.362 1.00 0.46 C ATOM 104 C LYS A 21 -16.299 1.079 4.172 1.00 0.45 C ATOM 105 O LYS A 21 -16.832 0.118 3.614 1.00 0.44 O ATOM 106 CB LYS A 21 -14.778 1.764 2.318 1.00 0.41 C ATOM 107 CG LYS A 21 -14.450 2.808 1.272 1.00 0.52 C ATOM 108 CD LYS A 21 -15.694 3.254 0.531 1.00 0.72 C ATOM 109 CE LYS A 21 -16.197 2.187 -0.421 1.00 0.72 C ATOM 110 NZ LYS A 21 -17.354 2.662 -1.222 1.00 1.10 N ATOM 0 H LYS A 21 -14.098 3.239 4.149 1.00 0.51 H new ATOM 0 HA LYS A 21 -16.619 2.737 2.875 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.859 1.455 2.815 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -15.187 0.881 1.827 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -13.980 3.668 1.749 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -13.728 2.402 0.564 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.477 3.498 1.249 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -15.478 4.165 -0.026 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -15.390 1.888 -1.090 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -16.486 1.302 0.145 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -17.669 1.904 -1.861 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -18.133 2.924 -0.585 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.071 3.491 -1.782 1.00 1.10 H new ATOM 124 N ASN A 22 -16.120 1.165 5.487 1.00 0.48 N ATOM 125 CA ASN A 22 -16.550 0.130 6.423 1.00 0.50 C ATOM 126 C ASN A 22 -15.705 -1.127 6.225 1.00 0.42 C ATOM 127 O ASN A 22 -16.135 -2.251 6.489 1.00 0.49 O ATOM 128 CB ASN A 22 -18.050 -0.162 6.261 1.00 0.59 C ATOM 129 CG ASN A 22 -18.611 -1.047 7.362 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.139 -1.026 8.500 1.00 1.55 O ATOM 131 ND2 ASN A 22 -19.634 -1.822 7.034 1.00 1.92 N ATOM 0 H ASN A 22 -15.669 1.961 5.937 1.00 0.48 H new ATOM 0 HA ASN A 22 -16.400 0.484 7.443 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -18.597 0.780 6.247 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -18.218 -0.642 5.297 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -20.059 -2.429 7.735 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -19.997 -1.811 6.081 1.00 1.92 H new ATOM 138 N TRP A 23 -14.491 -0.915 5.743 1.00 0.35 N ATOM 139 CA TRP A 23 -13.521 -1.984 5.597 1.00 0.29 C ATOM 140 C TRP A 23 -12.659 -2.050 6.855 1.00 0.34 C ATOM 141 O TRP A 23 -12.614 -1.088 7.624 1.00 0.40 O ATOM 142 CB TRP A 23 -12.616 -1.738 4.384 1.00 0.26 C ATOM 143 CG TRP A 23 -13.313 -1.711 3.055 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.471 -2.345 2.699 1.00 0.25 C ATOM 145 CD2 TRP A 23 -12.856 -1.030 1.885 1.00 0.24 C ATOM 146 NE1 TRP A 23 -14.761 -2.085 1.375 1.00 0.25 N ATOM 147 CE2 TRP A 23 -13.779 -1.282 0.856 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.753 -0.224 1.614 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.624 -0.758 -0.428 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.601 0.296 0.347 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.530 0.025 -0.662 1.00 0.31 C ATOM 0 H TRP A 23 -14.153 -0.000 5.444 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.056 -2.923 5.450 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -12.100 -0.788 4.524 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -11.852 -2.515 4.359 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -15.070 -2.958 3.356 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.573 -2.433 0.866 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -11.028 -0.010 2.385 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.342 -0.964 -1.208 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -10.749 0.924 0.130 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.379 0.443 -1.646 1.00 0.31 H new ATOM 162 N PRO A 24 -11.980 -3.178 7.100 1.00 0.34 N ATOM 163 CA PRO A 24 -11.024 -3.286 8.201 1.00 0.40 C ATOM 164 C PRO A 24 -9.736 -2.520 7.901 1.00 0.39 C ATOM 165 O PRO A 24 -9.670 -1.755 6.935 1.00 0.41 O ATOM 166 CB PRO A 24 -10.757 -4.787 8.294 1.00 0.43 C ATOM 167 CG PRO A 24 -11.008 -5.298 6.921 1.00 0.44 C ATOM 168 CD PRO A 24 -12.100 -4.437 6.343 1.00 0.34 C ATOM 0 HA PRO A 24 -11.404 -2.860 9.129 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.734 -4.989 8.611 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.416 -5.263 9.021 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.105 -5.240 6.314 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -11.310 -6.345 6.945 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -11.962 -4.277 5.274 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.082 -4.892 6.473 1.00 0.34 H new ATOM 176 N MET A 25 -8.715 -2.714 8.720 1.00 0.47 N ATOM 177 CA MET A 25 -7.437 -2.065 8.493 1.00 0.47 C ATOM 178 C MET A 25 -6.685 -2.782 7.378 1.00 0.38 C ATOM 179 O MET A 25 -6.605 -4.011 7.369 1.00 0.44 O ATOM 180 CB MET A 25 -6.614 -2.072 9.777 1.00 0.61 C ATOM 181 CG MET A 25 -7.304 -1.403 10.958 1.00 0.70 C ATOM 182 SD MET A 25 -7.169 0.402 10.959 1.00 0.90 S ATOM 183 CE MET A 25 -8.434 0.884 9.782 1.00 1.00 C ATOM 0 H MET A 25 -8.747 -3.314 9.545 1.00 0.47 H new ATOM 0 HA MET A 25 -7.608 -1.031 8.194 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.381 -3.103 10.042 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.665 -1.569 9.591 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.359 -1.679 10.954 1.00 0.70 H new ATOM 0 HG3 MET A 25 -6.877 -1.790 11.883 1.00 0.70 H new ATOM 0 HE1 MET A 25 -8.963 1.761 10.155 1.00 1.00 H new ATOM 0 HE2 MET A 25 -7.969 1.120 8.825 1.00 1.00 H new ATOM 0 HE3 MET A 25 -9.140 0.064 9.650 1.00 1.00 H new ATOM 193 N PRO A 26 -6.143 -2.026 6.410 1.00 0.32 N ATOM 194 CA PRO A 26 -5.414 -2.600 5.280 1.00 0.25 C ATOM 195 C PRO A 26 -4.125 -3.289 5.714 1.00 0.23 C ATOM 196 O PRO A 26 -3.637 -3.094 6.828 1.00 0.27 O ATOM 197 CB PRO A 26 -5.076 -1.398 4.395 1.00 0.30 C ATOM 198 CG PRO A 26 -5.922 -0.275 4.891 1.00 0.46 C ATOM 199 CD PRO A 26 -6.195 -0.557 6.340 1.00 0.44 C ATOM 0 HA PRO A 26 -6.010 -3.362 4.777 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -4.017 -1.149 4.463 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.287 -1.613 3.347 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.409 0.679 4.771 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -6.852 -0.211 4.326 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.449 -0.096 6.988 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -7.167 -0.173 6.649 1.00 0.44 H new ATOM 207 N SER A 27 -3.585 -4.094 4.823 1.00 0.20 N ATOM 208 CA SER A 27 -2.336 -4.786 5.079 1.00 0.20 C ATOM 209 C SER A 27 -1.170 -3.913 4.665 1.00 0.17 C ATOM 210 O SER A 27 -1.228 -3.237 3.637 1.00 0.17 O ATOM 211 CB SER A 27 -2.293 -6.095 4.309 1.00 0.25 C ATOM 212 OG SER A 27 -1.171 -6.880 4.670 1.00 0.30 O ATOM 0 H SER A 27 -3.994 -4.287 3.909 1.00 0.20 H new ATOM 0 HA SER A 27 -2.266 -5.000 6.146 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.207 -6.658 4.498 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.262 -5.887 3.239 1.00 0.25 H new ATOM 0 HG SER A 27 -1.177 -7.715 4.156 1.00 0.30 H new ATOM 218 N TYR A 28 -0.113 -3.941 5.453 1.00 0.17 N ATOM 219 CA TYR A 28 1.062 -3.144 5.180 1.00 0.17 C ATOM 220 C TYR A 28 2.302 -3.961 5.520 1.00 0.20 C ATOM 221 O TYR A 28 2.557 -4.243 6.691 1.00 0.25 O ATOM 222 CB TYR A 28 1.048 -1.841 5.988 1.00 0.20 C ATOM 223 CG TYR A 28 0.087 -0.791 5.464 1.00 0.19 C ATOM 224 CD1 TYR A 28 0.493 0.121 4.498 1.00 0.22 C ATOM 225 CD2 TYR A 28 -1.216 -0.703 5.940 1.00 0.20 C ATOM 226 CE1 TYR A 28 -0.364 1.089 4.020 1.00 0.25 C ATOM 227 CE2 TYR A 28 -2.083 0.264 5.464 1.00 0.23 C ATOM 228 CZ TYR A 28 -1.652 1.158 4.505 1.00 0.25 C ATOM 229 OH TYR A 28 -2.513 2.120 4.023 1.00 0.30 O ATOM 0 H TYR A 28 -0.046 -4.514 6.295 1.00 0.17 H new ATOM 0 HA TYR A 28 1.071 -2.876 4.123 1.00 0.17 H new ATOM 0 HB2 TYR A 28 0.788 -2.071 7.021 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.054 -1.423 5.998 1.00 0.20 H new ATOM 0 HD1 TYR A 28 1.501 0.071 4.114 1.00 0.22 H new ATOM 0 HD2 TYR A 28 -1.556 -1.399 6.692 1.00 0.20 H new ATOM 0 HE1 TYR A 28 -0.028 1.789 3.270 1.00 0.25 H new ATOM 0 HE2 TYR A 28 -3.093 0.319 5.841 1.00 0.23 H new ATOM 0 HH TYR A 28 -3.382 2.033 4.467 1.00 0.30 H new ATOM 239 N ARG A 29 3.066 -4.351 4.507 1.00 0.23 N ATOM 240 CA ARG A 29 4.218 -5.215 4.709 1.00 0.33 C ATOM 241 C ARG A 29 5.251 -4.979 3.614 1.00 0.24 C ATOM 242 O ARG A 29 4.919 -4.997 2.428 1.00 0.22 O ATOM 243 CB ARG A 29 3.775 -6.675 4.694 1.00 0.50 C ATOM 244 CG ARG A 29 4.870 -7.655 5.076 1.00 1.34 C ATOM 245 CD ARG A 29 4.404 -9.091 4.923 1.00 1.55 C ATOM 246 NE ARG A 29 3.167 -9.348 5.657 1.00 2.13 N ATOM 247 CZ ARG A 29 2.376 -10.396 5.438 1.00 2.75 C ATOM 248 NH1 ARG A 29 2.709 -11.308 4.532 1.00 2.84 N ATOM 249 NH2 ARG A 29 1.257 -10.536 6.137 1.00 3.69 N ATOM 0 H ARG A 29 2.907 -4.081 3.536 1.00 0.23 H new ATOM 0 HA ARG A 29 4.668 -4.984 5.674 1.00 0.33 H new ATOM 0 HB2 ARG A 29 2.937 -6.797 5.380 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.410 -6.923 3.697 1.00 0.50 H new ATOM 0 HG2 ARG A 29 5.746 -7.486 4.450 1.00 1.34 H new ATOM 0 HG3 ARG A 29 5.176 -7.478 6.107 1.00 1.34 H new ATOM 0 HD2 ARG A 29 4.251 -9.311 3.867 1.00 1.55 H new ATOM 0 HD3 ARG A 29 5.183 -9.765 5.279 1.00 1.55 H new ATOM 0 HE ARG A 29 2.893 -8.684 6.381 1.00 2.13 H new ATOM 0 HH11 ARG A 29 3.574 -11.207 4.001 1.00 2.84 H new ATOM 0 HH12 ARG A 29 2.100 -12.109 4.367 1.00 2.84 H new ATOM 0 HH21 ARG A 29 1.005 -9.842 6.840 1.00 3.69 H new ATOM 0 HH22 ARG A 29 0.649 -11.338 5.971 1.00 3.69 H new ATOM 263 N CYS A 30 6.494 -4.744 4.011 1.00 0.31 N ATOM 264 CA CYS A 30 7.567 -4.534 3.050 1.00 0.31 C ATOM 265 C CYS A 30 7.816 -5.804 2.243 1.00 0.27 C ATOM 266 O CYS A 30 8.045 -6.875 2.804 1.00 0.30 O ATOM 267 CB CYS A 30 8.844 -4.094 3.772 1.00 0.45 C ATOM 268 SG CYS A 30 9.304 -5.142 5.172 1.00 1.53 S ATOM 0 H CYS A 30 6.783 -4.694 4.988 1.00 0.31 H new ATOM 0 HA CYS A 30 7.269 -3.744 2.360 1.00 0.31 H new ATOM 0 HB2 CYS A 30 9.666 -4.082 3.057 1.00 0.45 H new ATOM 0 HB3 CYS A 30 8.714 -3.071 4.126 1.00 0.45 H new ATOM 0 HG CYS A 30 9.034 -6.383 4.892 1.00 1.53 H new ATOM 274 N VAL A 31 7.749 -5.682 0.922 1.00 0.26 N ATOM 275 CA VAL A 31 7.953 -6.825 0.047 1.00 0.28 C ATOM 276 C VAL A 31 9.435 -7.066 -0.167 1.00 0.27 C ATOM 277 O VAL A 31 9.883 -8.206 -0.294 1.00 0.32 O ATOM 278 CB VAL A 31 7.248 -6.658 -1.317 1.00 0.34 C ATOM 279 CG1 VAL A 31 5.745 -6.562 -1.127 1.00 1.15 C ATOM 280 CG2 VAL A 31 7.762 -5.446 -2.078 1.00 1.15 C ATOM 0 H VAL A 31 7.556 -4.806 0.437 1.00 0.26 H new ATOM 0 HA VAL A 31 7.507 -7.687 0.542 1.00 0.28 H new ATOM 0 HB VAL A 31 7.478 -7.541 -1.913 1.00 0.34 H new ATOM 0 HG11 VAL A 31 5.262 -6.445 -2.097 1.00 1.15 H new ATOM 0 HG12 VAL A 31 5.380 -7.470 -0.648 1.00 1.15 H new ATOM 0 HG13 VAL A 31 5.512 -5.702 -0.499 1.00 1.15 H new ATOM 0 HG21 VAL A 31 7.239 -5.366 -3.031 1.00 1.15 H new ATOM 0 HG22 VAL A 31 7.584 -4.545 -1.490 1.00 1.15 H new ATOM 0 HG23 VAL A 31 8.831 -5.556 -2.259 1.00 1.15 H new ATOM 290 N LYS A 32 10.192 -5.982 -0.208 1.00 0.24 N ATOM 291 CA LYS A 32 11.640 -6.061 -0.280 1.00 0.26 C ATOM 292 C LYS A 32 12.270 -4.993 0.606 1.00 0.31 C ATOM 293 O LYS A 32 11.966 -3.803 0.472 1.00 0.31 O ATOM 294 CB LYS A 32 12.124 -5.873 -1.719 1.00 0.30 C ATOM 295 CG LYS A 32 13.575 -6.280 -1.914 1.00 0.61 C ATOM 296 CD LYS A 32 14.045 -6.042 -3.338 1.00 1.14 C ATOM 297 CE LYS A 32 15.505 -6.431 -3.505 1.00 1.37 C ATOM 298 NZ LYS A 32 16.011 -6.122 -4.867 1.00 2.25 N ATOM 0 H LYS A 32 9.824 -5.031 -0.192 1.00 0.24 H new ATOM 0 HA LYS A 32 11.941 -7.049 0.068 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.495 -6.460 -2.388 1.00 0.30 H new ATOM 0 HB3 LYS A 32 12.004 -4.828 -2.003 1.00 0.30 H new ATOM 0 HG2 LYS A 32 14.205 -5.717 -1.225 1.00 0.61 H new ATOM 0 HG3 LYS A 32 13.693 -7.335 -1.665 1.00 0.61 H new ATOM 0 HD2 LYS A 32 13.430 -6.620 -4.028 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.914 -4.991 -3.597 1.00 1.14 H new ATOM 0 HE2 LYS A 32 16.108 -5.903 -2.766 1.00 1.37 H new ATOM 0 HE3 LYS A 32 15.621 -7.497 -3.308 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 17.010 -6.403 -4.938 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 15.453 -6.645 -5.572 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 15.925 -5.101 -5.046 1.00 2.25 H new ATOM 415 N ARG A 41 17.103 0.473 -0.288 1.00 0.39 N ATOM 416 CA ARG A 41 15.888 1.068 -0.807 1.00 0.33 C ATOM 417 C ARG A 41 14.758 0.141 -0.421 1.00 0.28 C ATOM 418 O ARG A 41 14.913 -1.081 -0.462 1.00 0.36 O ATOM 419 CB ARG A 41 15.907 1.236 -2.332 1.00 0.39 C ATOM 420 CG ARG A 41 17.230 1.722 -2.900 1.00 1.16 C ATOM 421 CD ARG A 41 17.117 2.041 -4.387 1.00 1.48 C ATOM 422 NE ARG A 41 16.641 0.900 -5.175 1.00 2.15 N ATOM 423 CZ ARG A 41 16.502 0.917 -6.503 1.00 2.71 C ATOM 424 NH1 ARG A 41 16.805 2.010 -7.191 1.00 2.69 N ATOM 425 NH2 ARG A 41 16.064 -0.159 -7.143 1.00 3.64 N ATOM 0 HA ARG A 41 15.775 2.069 -0.391 1.00 0.33 H new ATOM 0 HB2 ARG A 41 15.659 0.280 -2.793 1.00 0.39 H new ATOM 0 HB3 ARG A 41 15.125 1.940 -2.616 1.00 0.39 H new ATOM 0 HG2 ARG A 41 17.554 2.611 -2.360 1.00 1.16 H new ATOM 0 HG3 ARG A 41 17.994 0.960 -2.747 1.00 1.16 H new ATOM 0 HD2 ARG A 41 16.436 2.881 -4.524 1.00 1.48 H new ATOM 0 HD3 ARG A 41 18.091 2.356 -4.762 1.00 1.48 H new ATOM 0 HE ARG A 41 16.402 0.041 -4.679 1.00 2.15 H new ATOM 0 HH11 ARG A 41 17.145 2.840 -6.706 1.00 2.69 H new ATOM 0 HH12 ARG A 41 16.698 2.020 -8.205 1.00 2.69 H new ATOM 0 HH21 ARG A 41 15.832 -1.004 -6.621 1.00 3.64 H new ATOM 0 HH22 ARG A 41 15.959 -0.142 -8.157 1.00 3.64 H new ATOM 439 N PHE A 42 13.635 0.698 -0.037 1.00 0.23 N ATOM 440 CA PHE A 42 12.563 -0.108 0.496 1.00 0.24 C ATOM 441 C PHE A 42 11.397 -0.135 -0.469 1.00 0.19 C ATOM 442 O PHE A 42 10.950 0.904 -0.953 1.00 0.20 O ATOM 443 CB PHE A 42 12.123 0.423 1.862 1.00 0.32 C ATOM 444 CG PHE A 42 13.269 0.721 2.792 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.324 -0.170 2.942 1.00 0.71 C ATOM 446 CD2 PHE A 42 13.294 1.902 3.510 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.378 0.118 3.793 1.00 0.79 C ATOM 448 CE2 PHE A 42 14.340 2.193 4.362 1.00 0.37 C ATOM 449 CZ PHE A 42 15.383 1.301 4.504 1.00 0.46 C ATOM 0 H PHE A 42 13.440 1.698 -0.083 1.00 0.23 H new ATOM 0 HA PHE A 42 12.925 -1.128 0.627 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.538 1.331 1.718 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.466 -0.309 2.332 1.00 0.32 H new ATOM 0 HD1 PHE A 42 14.322 -1.098 2.389 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.483 2.607 3.403 1.00 0.37 H new ATOM 0 HE1 PHE A 42 16.194 -0.581 3.900 1.00 0.79 H new ATOM 0 HE2 PHE A 42 14.342 3.119 4.918 1.00 0.37 H new ATOM 0 HZ PHE A 42 16.202 1.528 5.170 1.00 0.46 H new ATOM 459 N THR A 43 10.926 -1.333 -0.749 1.00 0.17 N ATOM 460 CA THR A 43 9.823 -1.536 -1.660 1.00 0.17 C ATOM 461 C THR A 43 8.722 -2.264 -0.910 1.00 0.17 C ATOM 462 O THR A 43 8.973 -3.310 -0.309 1.00 0.24 O ATOM 463 CB THR A 43 10.262 -2.365 -2.887 1.00 0.20 C ATOM 464 OG1 THR A 43 11.436 -1.783 -3.467 1.00 0.26 O ATOM 465 CG2 THR A 43 9.159 -2.423 -3.932 1.00 0.25 C ATOM 0 H THR A 43 11.300 -2.194 -0.349 1.00 0.17 H new ATOM 0 HA THR A 43 9.468 -0.572 -2.023 1.00 0.17 H new ATOM 0 HB THR A 43 10.476 -3.380 -2.553 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.713 -2.312 -4.244 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.496 -3.013 -4.784 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.272 -2.885 -3.499 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.918 -1.413 -4.263 1.00 0.25 H new ATOM 473 N PHE A 44 7.519 -1.717 -0.900 1.00 0.14 N ATOM 474 CA PHE A 44 6.437 -2.287 -0.124 1.00 0.12 C ATOM 475 C PHE A 44 5.166 -2.340 -0.977 1.00 0.13 C ATOM 476 O PHE A 44 4.996 -1.524 -1.880 1.00 0.16 O ATOM 477 CB PHE A 44 6.239 -1.432 1.145 1.00 0.14 C ATOM 478 CG PHE A 44 4.810 -1.195 1.515 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.035 -2.211 2.035 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.240 0.045 1.316 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.715 -1.995 2.348 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.920 0.265 1.629 1.00 0.17 C ATOM 483 CZ PHE A 44 2.157 -0.759 2.141 1.00 0.15 C ATOM 0 H PHE A 44 7.269 -0.877 -1.422 1.00 0.14 H new ATOM 0 HA PHE A 44 6.673 -3.307 0.178 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.741 -1.921 1.980 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.728 -0.469 0.999 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.470 -3.186 2.198 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.836 0.850 0.911 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.118 -2.797 2.756 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.482 1.240 1.473 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.118 -0.590 2.380 1.00 0.15 H new ATOM 493 N GLY A 45 4.287 -3.299 -0.694 1.00 0.13 N ATOM 494 CA GLY A 45 3.040 -3.409 -1.428 1.00 0.17 C ATOM 495 C GLY A 45 1.841 -3.470 -0.500 1.00 0.15 C ATOM 496 O GLY A 45 1.883 -4.154 0.524 1.00 0.15 O ATOM 0 H GLY A 45 4.418 -4.003 0.033 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.937 -2.556 -2.099 1.00 0.17 H new ATOM 0 HA3 GLY A 45 3.063 -4.303 -2.051 1.00 0.17 H new ATOM 500 N VAL A 46 0.762 -2.784 -0.865 1.00 0.15 N ATOM 501 CA VAL A 46 -0.410 -2.676 0.004 1.00 0.15 C ATOM 502 C VAL A 46 -1.541 -3.527 -0.541 1.00 0.14 C ATOM 503 O VAL A 46 -1.572 -3.833 -1.733 1.00 0.19 O ATOM 504 CB VAL A 46 -0.961 -1.236 0.080 1.00 0.23 C ATOM 505 CG1 VAL A 46 -1.553 -0.955 1.450 1.00 0.80 C ATOM 506 CG2 VAL A 46 0.084 -0.207 -0.292 1.00 0.76 C ATOM 0 H VAL A 46 0.673 -2.294 -1.755 1.00 0.15 H new ATOM 0 HA VAL A 46 -0.081 -3.001 0.991 1.00 0.15 H new ATOM 0 HB VAL A 46 -1.760 -1.154 -0.657 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -1.935 0.066 1.479 1.00 0.80 H new ATOM 0 HG12 VAL A 46 -2.368 -1.653 1.644 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -0.782 -1.076 2.211 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -0.348 0.791 -0.224 1.00 0.76 H new ATOM 0 HG22 VAL A 46 0.929 -0.283 0.392 1.00 0.76 H new ATOM 0 HG23 VAL A 46 0.425 -0.387 -1.312 1.00 0.76 H new ATOM 516 N ARG A 47 -2.470 -3.900 0.322 1.00 0.15 N ATOM 517 CA ARG A 47 -3.687 -4.558 -0.103 1.00 0.18 C ATOM 518 C ARG A 47 -4.811 -4.170 0.852 1.00 0.15 C ATOM 519 O ARG A 47 -4.568 -3.926 2.037 1.00 0.19 O ATOM 520 CB ARG A 47 -3.504 -6.084 -0.149 1.00 0.33 C ATOM 521 CG ARG A 47 -3.009 -6.687 1.153 1.00 0.66 C ATOM 522 CD ARG A 47 -2.757 -8.178 1.024 1.00 1.02 C ATOM 523 NE ARG A 47 -1.545 -8.461 0.262 1.00 1.43 N ATOM 524 CZ ARG A 47 -1.374 -9.543 -0.492 1.00 1.85 C ATOM 525 NH1 ARG A 47 -2.357 -10.428 -0.627 1.00 1.99 N ATOM 526 NH2 ARG A 47 -0.219 -9.740 -1.110 1.00 2.62 N ATOM 0 H ARG A 47 -2.401 -3.755 1.329 1.00 0.15 H new ATOM 0 HA ARG A 47 -3.940 -4.236 -1.113 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.456 -6.546 -0.412 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.799 -6.331 -0.943 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -2.089 -6.188 1.458 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.744 -6.509 1.938 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -2.673 -8.619 2.017 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -3.610 -8.650 0.537 1.00 1.02 H new ATOM 0 HE ARG A 47 -0.781 -7.787 0.311 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -3.247 -10.278 -0.151 1.00 1.99 H new ATOM 0 HH12 ARG A 47 -2.221 -11.256 -1.206 1.00 1.99 H new ATOM 0 HH21 ARG A 47 0.537 -9.063 -1.007 1.00 2.62 H new ATOM 0 HH22 ARG A 47 -0.085 -10.569 -1.689 1.00 2.62 H new ATOM 540 N VAL A 48 -6.022 -4.084 0.332 1.00 0.13 N ATOM 541 CA VAL A 48 -7.179 -3.691 1.134 1.00 0.13 C ATOM 542 C VAL A 48 -8.286 -4.742 1.042 1.00 0.12 C ATOM 543 O VAL A 48 -8.376 -5.471 0.055 1.00 0.13 O ATOM 544 CB VAL A 48 -7.709 -2.309 0.685 1.00 0.15 C ATOM 545 CG1 VAL A 48 -9.007 -1.954 1.386 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.673 -1.237 0.956 1.00 0.22 C ATOM 0 H VAL A 48 -6.236 -4.281 -0.646 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.861 -3.619 2.174 1.00 0.13 H new ATOM 0 HB VAL A 48 -7.906 -2.364 -0.386 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.349 -0.977 1.045 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.763 -2.704 1.154 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.843 -1.926 2.463 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -7.058 -0.269 0.635 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.453 -1.205 2.023 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.761 -1.465 0.405 1.00 0.22 H new ATOM 556 N ASN A 49 -9.114 -4.824 2.079 1.00 0.13 N ATOM 557 CA ASN A 49 -10.198 -5.795 2.121 1.00 0.15 C ATOM 558 C ASN A 49 -11.487 -5.168 1.603 1.00 0.16 C ATOM 559 O ASN A 49 -12.315 -4.675 2.362 1.00 0.18 O ATOM 560 CB ASN A 49 -10.394 -6.325 3.541 1.00 0.20 C ATOM 561 CG ASN A 49 -11.472 -7.393 3.631 1.00 0.66 C ATOM 562 OD1 ASN A 49 -12.165 -7.502 4.638 1.00 1.59 O ATOM 563 ND2 ASN A 49 -11.606 -8.202 2.590 1.00 1.21 N ATOM 0 H ASN A 49 -9.053 -4.227 2.903 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.935 -6.635 1.478 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.452 -6.736 3.903 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.655 -5.497 4.200 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -12.304 -8.946 2.609 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -11.012 -8.081 1.770 1.00 1.21 H new ATOM 570 N THR A 50 -11.618 -5.199 0.296 1.00 0.17 N ATOM 571 CA THR A 50 -12.811 -4.681 -0.352 1.00 0.21 C ATOM 572 C THR A 50 -13.967 -5.636 -0.100 1.00 0.25 C ATOM 573 O THR A 50 -13.993 -6.737 -0.617 1.00 0.33 O ATOM 574 CB THR A 50 -12.622 -4.449 -1.866 1.00 0.27 C ATOM 575 OG1 THR A 50 -12.143 -5.642 -2.504 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.654 -3.305 -2.119 1.00 0.29 C ATOM 0 H THR A 50 -10.917 -5.576 -0.342 1.00 0.17 H new ATOM 0 HA THR A 50 -13.026 -3.704 0.081 1.00 0.21 H new ATOM 0 HB THR A 50 -13.592 -4.187 -2.289 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.271 -5.886 -2.129 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.536 -3.159 -3.193 1.00 0.29 H new ATOM 0 HG22 THR A 50 -12.044 -2.392 -1.670 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.687 -3.542 -1.676 1.00 0.29 H new ATOM 584 N SER A 51 -14.896 -5.213 0.741 1.00 0.25 N ATOM 585 CA SER A 51 -16.013 -6.054 1.169 1.00 0.30 C ATOM 586 C SER A 51 -16.731 -6.711 -0.014 1.00 0.33 C ATOM 587 O SER A 51 -17.304 -7.792 0.121 1.00 0.42 O ATOM 588 CB SER A 51 -17.000 -5.218 1.986 1.00 0.35 C ATOM 589 OG SER A 51 -18.065 -6.009 2.487 1.00 1.32 O ATOM 0 H SER A 51 -14.902 -4.278 1.149 1.00 0.25 H new ATOM 0 HA SER A 51 -15.607 -6.857 1.784 1.00 0.30 H new ATOM 0 HB2 SER A 51 -16.476 -4.744 2.816 1.00 0.35 H new ATOM 0 HB3 SER A 51 -17.402 -4.418 1.364 1.00 0.35 H new ATOM 0 HG SER A 51 -18.676 -5.445 3.005 1.00 1.32 H new ATOM 595 N ASP A 52 -16.696 -6.063 -1.168 1.00 0.33 N ATOM 596 CA ASP A 52 -17.385 -6.567 -2.347 1.00 0.41 C ATOM 597 C ASP A 52 -16.520 -7.521 -3.174 1.00 0.31 C ATOM 598 O ASP A 52 -17.044 -8.258 -4.011 1.00 0.37 O ATOM 599 CB ASP A 52 -17.859 -5.403 -3.218 1.00 0.64 C ATOM 600 CG ASP A 52 -16.721 -4.636 -3.866 1.00 0.82 C ATOM 601 OD1 ASP A 52 -15.911 -4.039 -3.126 1.00 0.85 O ATOM 602 OD2 ASP A 52 -16.625 -4.641 -5.113 1.00 1.30 O ATOM 0 H ASP A 52 -16.197 -5.185 -1.314 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.244 -7.138 -1.993 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -18.519 -5.786 -3.996 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -18.448 -4.718 -2.608 1.00 0.64 H new ATOM 607 N ARG A 53 -15.210 -7.535 -2.947 1.00 0.28 N ATOM 608 CA ARG A 53 -14.310 -8.361 -3.753 1.00 0.28 C ATOM 609 C ARG A 53 -13.347 -9.159 -2.870 1.00 0.24 C ATOM 610 O ARG A 53 -13.192 -10.370 -3.033 1.00 0.29 O ATOM 611 CB ARG A 53 -13.515 -7.475 -4.713 1.00 0.42 C ATOM 612 CG ARG A 53 -12.605 -8.246 -5.645 1.00 1.14 C ATOM 613 CD ARG A 53 -11.732 -7.310 -6.462 1.00 1.45 C ATOM 614 NE ARG A 53 -12.522 -6.393 -7.284 1.00 2.15 N ATOM 615 CZ ARG A 53 -12.043 -5.733 -8.338 1.00 2.81 C ATOM 616 NH1 ARG A 53 -10.776 -5.885 -8.704 1.00 3.05 N ATOM 617 NH2 ARG A 53 -12.830 -4.917 -9.023 1.00 3.68 N ATOM 0 H ARG A 53 -14.749 -6.990 -2.219 1.00 0.28 H new ATOM 0 HA ARG A 53 -14.916 -9.068 -4.320 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -14.211 -6.883 -5.307 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -12.915 -6.774 -4.133 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -11.975 -8.921 -5.066 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -13.205 -8.864 -6.313 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -11.092 -6.735 -5.792 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -11.075 -7.897 -7.104 1.00 1.45 H new ATOM 0 HE ARG A 53 -13.501 -6.250 -7.035 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -10.165 -6.509 -8.178 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -10.414 -5.378 -9.511 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -13.803 -4.793 -8.744 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -12.463 -4.412 -9.830 1.00 3.68 H new ATOM 631 N GLY A 54 -12.712 -8.468 -1.939 1.00 0.18 N ATOM 632 CA GLY A 54 -11.775 -9.088 -1.034 1.00 0.19 C ATOM 633 C GLY A 54 -10.429 -8.407 -1.049 1.00 0.17 C ATOM 634 O GLY A 54 -10.336 -7.221 -1.372 1.00 0.17 O ATOM 0 H GLY A 54 -12.834 -7.466 -1.794 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.180 -9.065 -0.022 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.652 -10.137 -1.304 1.00 0.19 H new ATOM 638 N TRP A 55 -9.401 -9.139 -0.652 1.00 0.18 N ATOM 639 CA TRP A 55 -8.039 -8.644 -0.750 1.00 0.18 C ATOM 640 C TRP A 55 -7.748 -8.149 -2.163 1.00 0.19 C ATOM 641 O TRP A 55 -7.821 -8.911 -3.130 1.00 0.24 O ATOM 642 CB TRP A 55 -7.032 -9.726 -0.361 1.00 0.24 C ATOM 643 CG TRP A 55 -6.703 -9.754 1.101 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.658 -10.851 1.908 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.367 -8.635 1.930 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.298 -10.484 3.182 1.00 0.39 N ATOM 647 CE2 TRP A 55 -6.116 -9.129 3.220 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.249 -7.266 1.708 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.749 -8.298 4.276 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.890 -6.447 2.759 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.642 -6.962 4.025 1.00 0.27 C ATOM 0 H TRP A 55 -9.484 -10.077 -0.259 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.938 -7.811 -0.055 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.428 -10.699 -0.653 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.113 -9.573 -0.927 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -6.874 -11.861 1.592 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.185 -11.119 3.972 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.436 -6.851 0.728 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.556 -8.698 5.260 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.800 -5.384 2.594 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.360 -6.293 4.824 1.00 0.27 H new ATOM 662 N THR A 56 -7.450 -6.865 -2.267 1.00 0.18 N ATOM 663 CA THR A 56 -7.152 -6.241 -3.544 1.00 0.22 C ATOM 664 C THR A 56 -5.816 -6.718 -4.094 1.00 0.26 C ATOM 665 O THR A 56 -5.037 -7.373 -3.391 1.00 0.36 O ATOM 666 CB THR A 56 -7.108 -4.709 -3.410 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.166 -4.334 -2.394 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.479 -4.154 -3.064 1.00 0.24 C ATOM 0 H THR A 56 -7.408 -6.228 -1.471 1.00 0.18 H new ATOM 0 HA THR A 56 -7.948 -6.528 -4.231 1.00 0.22 H new ATOM 0 HB THR A 56 -6.798 -4.292 -4.368 1.00 0.22 H new ATOM 0 HG1 THR A 56 -6.142 -3.358 -2.315 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.421 -3.069 -2.975 1.00 0.24 H new ATOM 0 HG22 THR A 56 -9.187 -4.416 -3.851 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.815 -4.578 -2.118 1.00 0.24 H new ATOM 676 N ASP A 57 -5.555 -6.389 -5.348 1.00 0.30 N ATOM 677 CA ASP A 57 -4.271 -6.685 -5.952 1.00 0.34 C ATOM 678 C ASP A 57 -3.197 -5.859 -5.269 1.00 0.23 C ATOM 679 O ASP A 57 -3.313 -4.638 -5.145 1.00 0.35 O ATOM 680 CB ASP A 57 -4.291 -6.417 -7.460 1.00 0.49 C ATOM 681 CG ASP A 57 -4.712 -5.003 -7.813 1.00 0.93 C ATOM 682 OD1 ASP A 57 -5.908 -4.680 -7.664 1.00 0.98 O ATOM 683 OD2 ASP A 57 -3.841 -4.202 -8.221 1.00 1.84 O ATOM 0 H ASP A 57 -6.216 -5.917 -5.965 1.00 0.30 H new ATOM 0 HA ASP A 57 -4.052 -7.744 -5.817 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -3.298 -6.606 -7.869 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -4.972 -7.121 -7.938 1.00 0.49 H new ATOM 688 N GLU A 58 -2.180 -6.546 -4.785 1.00 0.27 N ATOM 689 CA GLU A 58 -1.130 -5.919 -4.010 1.00 0.27 C ATOM 690 C GLU A 58 -0.412 -4.856 -4.824 1.00 0.23 C ATOM 691 O GLU A 58 0.192 -5.135 -5.862 1.00 0.28 O ATOM 692 CB GLU A 58 -0.160 -6.976 -3.502 1.00 0.42 C ATOM 693 CG GLU A 58 0.995 -6.434 -2.682 1.00 0.44 C ATOM 694 CD GLU A 58 1.906 -7.538 -2.199 1.00 0.67 C ATOM 695 OE1 GLU A 58 2.740 -8.021 -2.995 1.00 0.83 O ATOM 696 OE2 GLU A 58 1.811 -7.912 -1.014 1.00 1.00 O ATOM 0 H GLU A 58 -2.060 -7.550 -4.918 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.578 -5.420 -3.151 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.712 -7.695 -2.897 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.243 -7.521 -4.356 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.567 -5.727 -3.283 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.606 -5.883 -1.826 1.00 0.44 H new ATOM 703 N CYS A 59 -0.502 -3.635 -4.337 1.00 0.19 N ATOM 704 CA CYS A 59 0.040 -2.483 -5.036 1.00 0.20 C ATOM 705 C CYS A 59 1.409 -2.113 -4.484 1.00 0.17 C ATOM 706 O CYS A 59 1.518 -1.526 -3.407 1.00 0.17 O ATOM 707 CB CYS A 59 -0.916 -1.296 -4.914 1.00 0.27 C ATOM 708 SG CYS A 59 -2.575 -1.620 -5.559 1.00 0.36 S ATOM 0 H CYS A 59 -0.951 -3.412 -3.449 1.00 0.19 H new ATOM 0 HA CYS A 59 0.153 -2.741 -6.089 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -0.994 -1.012 -3.865 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.491 -0.444 -5.444 1.00 0.27 H new ATOM 0 HG CYS A 59 -2.879 -2.869 -5.366 1.00 0.36 H new ATOM 714 N ILE A 60 2.447 -2.490 -5.217 1.00 0.18 N ATOM 715 CA ILE A 60 3.815 -2.179 -4.843 1.00 0.16 C ATOM 716 C ILE A 60 4.126 -0.714 -5.124 1.00 0.16 C ATOM 717 O ILE A 60 3.895 -0.215 -6.226 1.00 0.18 O ATOM 718 CB ILE A 60 4.808 -3.094 -5.608 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.930 -4.460 -4.928 1.00 0.44 C ATOM 720 CG2 ILE A 60 6.179 -2.452 -5.726 1.00 0.27 C ATOM 721 CD1 ILE A 60 3.623 -5.200 -4.778 1.00 0.74 C ATOM 0 H ILE A 60 2.363 -3.019 -6.085 1.00 0.18 H new ATOM 0 HA ILE A 60 3.927 -2.359 -3.774 1.00 0.16 H new ATOM 0 HB ILE A 60 4.408 -3.234 -6.612 1.00 0.21 H new ATOM 0 HG12 ILE A 60 5.620 -5.078 -5.503 1.00 0.44 H new ATOM 0 HG13 ILE A 60 5.371 -4.323 -3.941 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.848 -3.121 -6.267 1.00 0.27 H new ATOM 0 HG22 ILE A 60 6.094 -1.509 -6.266 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.580 -2.265 -4.730 1.00 0.27 H new ATOM 0 HD11 ILE A 60 3.801 -6.157 -4.287 1.00 0.74 H new ATOM 0 HD12 ILE A 60 2.935 -4.606 -4.176 1.00 0.74 H new ATOM 0 HD13 ILE A 60 3.188 -5.373 -5.762 1.00 0.74 H new ATOM 733 N GLY A 61 4.632 -0.032 -4.108 1.00 0.16 N ATOM 734 CA GLY A 61 4.976 1.367 -4.239 1.00 0.20 C ATOM 735 C GLY A 61 6.362 1.585 -4.806 1.00 0.21 C ATOM 736 O GLY A 61 6.956 0.682 -5.397 1.00 0.23 O ATOM 0 H GLY A 61 4.812 -0.428 -3.186 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.245 1.856 -4.883 1.00 0.20 H new ATOM 0 HA3 GLY A 61 4.910 1.845 -3.261 1.00 0.20 H new ATOM 740 N GLU A 62 6.879 2.783 -4.611 1.00 0.27 N ATOM 741 CA GLU A 62 8.160 3.171 -5.170 1.00 0.31 C ATOM 742 C GLU A 62 9.286 2.886 -4.181 1.00 0.25 C ATOM 743 O GLU A 62 9.173 3.212 -2.999 1.00 0.29 O ATOM 744 CB GLU A 62 8.122 4.659 -5.521 1.00 0.47 C ATOM 745 CG GLU A 62 6.971 5.021 -6.449 1.00 0.79 C ATOM 746 CD GLU A 62 6.832 6.512 -6.671 1.00 1.07 C ATOM 747 OE1 GLU A 62 7.536 7.056 -7.549 1.00 1.37 O ATOM 748 OE2 GLU A 62 6.025 7.151 -5.964 1.00 1.32 O ATOM 0 H GLU A 62 6.424 3.513 -4.062 1.00 0.27 H new ATOM 0 HA GLU A 62 8.351 2.589 -6.072 1.00 0.31 H new ATOM 0 HB2 GLU A 62 8.039 5.241 -4.603 1.00 0.47 H new ATOM 0 HB3 GLU A 62 9.064 4.940 -5.992 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.119 4.529 -7.410 1.00 0.79 H new ATOM 0 HG3 GLU A 62 6.041 4.634 -6.033 1.00 0.79 H new ATOM 755 N PRO A 63 10.371 2.240 -4.651 1.00 0.24 N ATOM 756 CA PRO A 63 11.563 1.991 -3.833 1.00 0.24 C ATOM 757 C PRO A 63 12.083 3.274 -3.201 1.00 0.21 C ATOM 758 O PRO A 63 12.630 4.141 -3.888 1.00 0.24 O ATOM 759 CB PRO A 63 12.578 1.441 -4.836 1.00 0.32 C ATOM 760 CG PRO A 63 11.753 0.846 -5.921 1.00 0.51 C ATOM 761 CD PRO A 63 10.510 1.688 -6.010 1.00 0.30 C ATOM 0 HA PRO A 63 11.363 1.312 -3.004 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.225 2.231 -5.218 1.00 0.32 H new ATOM 0 HB3 PRO A 63 13.225 0.694 -4.376 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.294 0.848 -6.867 1.00 0.51 H new ATOM 0 HG3 PRO A 63 11.505 -0.192 -5.698 1.00 0.51 H new ATOM 0 HD2 PRO A 63 10.612 2.477 -6.755 1.00 0.30 H new ATOM 0 HD3 PRO A 63 9.641 1.093 -6.292 1.00 0.30 H new ATOM 769 N MET A 64 11.913 3.387 -1.897 1.00 0.19 N ATOM 770 CA MET A 64 12.198 4.623 -1.187 1.00 0.20 C ATOM 771 C MET A 64 13.411 4.486 -0.281 1.00 0.21 C ATOM 772 O MET A 64 13.713 3.399 0.204 1.00 0.26 O ATOM 773 CB MET A 64 10.990 5.022 -0.352 1.00 0.24 C ATOM 774 CG MET A 64 9.898 5.703 -1.151 1.00 0.32 C ATOM 775 SD MET A 64 10.473 7.228 -1.926 1.00 0.62 S ATOM 776 CE MET A 64 8.922 8.091 -2.144 1.00 0.67 C ATOM 0 H MET A 64 11.576 2.631 -1.302 1.00 0.19 H new ATOM 0 HA MET A 64 12.415 5.391 -1.930 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.579 4.132 0.125 1.00 0.24 H new ATOM 0 HB3 MET A 64 11.315 5.690 0.446 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.533 5.022 -1.920 1.00 0.32 H new ATOM 0 HG3 MET A 64 9.055 5.925 -0.496 1.00 0.32 H new ATOM 0 HE1 MET A 64 9.075 9.159 -1.988 1.00 0.67 H new ATOM 0 HE2 MET A 64 8.550 7.922 -3.155 1.00 0.67 H new ATOM 0 HE3 MET A 64 8.194 7.719 -1.423 1.00 0.67 H new ATOM 786 N PRO A 65 14.121 5.599 -0.044 1.00 0.23 N ATOM 787 CA PRO A 65 15.279 5.629 0.850 1.00 0.26 C ATOM 788 C PRO A 65 14.892 5.745 2.325 1.00 0.25 C ATOM 789 O PRO A 65 15.759 5.902 3.184 1.00 0.27 O ATOM 790 CB PRO A 65 16.027 6.880 0.398 1.00 0.31 C ATOM 791 CG PRO A 65 14.960 7.796 -0.095 1.00 0.32 C ATOM 792 CD PRO A 65 13.876 6.918 -0.666 1.00 0.29 C ATOM 0 HA PRO A 65 15.861 4.710 0.790 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.585 7.327 1.220 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.747 6.650 -0.388 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.573 8.413 0.716 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.350 8.474 -0.854 1.00 0.32 H new ATOM 0 HD2 PRO A 65 12.884 7.297 -0.420 1.00 0.29 H new ATOM 0 HD3 PRO A 65 13.937 6.864 -1.753 1.00 0.29 H new ATOM 800 N SER A 66 13.595 5.684 2.622 1.00 0.23 N ATOM 801 CA SER A 66 13.122 5.732 3.994 1.00 0.24 C ATOM 802 C SER A 66 11.801 4.972 4.105 1.00 0.22 C ATOM 803 O SER A 66 10.966 5.019 3.198 1.00 0.20 O ATOM 804 CB SER A 66 12.944 7.188 4.435 1.00 0.29 C ATOM 805 OG SER A 66 12.529 7.270 5.787 1.00 1.30 O ATOM 0 H SER A 66 12.855 5.601 1.925 1.00 0.23 H new ATOM 0 HA SER A 66 13.856 5.261 4.649 1.00 0.24 H new ATOM 0 HB2 SER A 66 13.883 7.726 4.308 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.208 7.676 3.796 1.00 0.29 H new ATOM 0 HG SER A 66 12.425 8.211 6.041 1.00 1.30 H new ATOM 811 N VAL A 67 11.636 4.270 5.227 1.00 0.25 N ATOM 812 CA VAL A 67 10.481 3.397 5.452 1.00 0.26 C ATOM 813 C VAL A 67 9.176 4.188 5.449 1.00 0.25 C ATOM 814 O VAL A 67 8.135 3.690 5.013 1.00 0.29 O ATOM 815 CB VAL A 67 10.601 2.634 6.792 1.00 0.37 C ATOM 816 CG1 VAL A 67 9.439 1.668 6.978 1.00 1.14 C ATOM 817 CG2 VAL A 67 11.924 1.894 6.876 1.00 1.08 C ATOM 0 H VAL A 67 12.297 4.290 6.004 1.00 0.25 H new ATOM 0 HA VAL A 67 10.469 2.680 4.631 1.00 0.26 H new ATOM 0 HB VAL A 67 10.565 3.368 7.597 1.00 0.37 H new ATOM 0 HG11 VAL A 67 9.549 1.145 7.928 1.00 1.14 H new ATOM 0 HG12 VAL A 67 8.501 2.223 6.976 1.00 1.14 H new ATOM 0 HG13 VAL A 67 9.434 0.944 6.164 1.00 1.14 H new ATOM 0 HG21 VAL A 67 11.985 1.365 7.827 1.00 1.08 H new ATOM 0 HG22 VAL A 67 11.993 1.178 6.057 1.00 1.08 H new ATOM 0 HG23 VAL A 67 12.745 2.607 6.804 1.00 1.08 H new ATOM 827 N LYS A 68 9.238 5.423 5.927 1.00 0.29 N ATOM 828 CA LYS A 68 8.080 6.278 5.994 1.00 0.32 C ATOM 829 C LYS A 68 7.600 6.637 4.589 1.00 0.30 C ATOM 830 O LYS A 68 6.397 6.706 4.329 1.00 0.33 O ATOM 831 CB LYS A 68 8.437 7.530 6.797 1.00 0.41 C ATOM 832 CG LYS A 68 7.425 8.640 6.673 1.00 1.12 C ATOM 833 CD LYS A 68 7.799 9.836 7.536 1.00 1.56 C ATOM 834 CE LYS A 68 6.746 10.933 7.471 1.00 2.37 C ATOM 835 NZ LYS A 68 6.565 11.457 6.092 1.00 2.82 N ATOM 0 H LYS A 68 10.095 5.852 6.277 1.00 0.29 H new ATOM 0 HA LYS A 68 7.263 5.758 6.493 1.00 0.32 H new ATOM 0 HB2 LYS A 68 8.539 7.260 7.848 1.00 0.41 H new ATOM 0 HB3 LYS A 68 9.408 7.898 6.467 1.00 0.41 H new ATOM 0 HG2 LYS A 68 7.351 8.951 5.631 1.00 1.12 H new ATOM 0 HG3 LYS A 68 6.442 8.272 6.966 1.00 1.12 H new ATOM 0 HD2 LYS A 68 7.924 9.513 8.570 1.00 1.56 H new ATOM 0 HD3 LYS A 68 8.759 10.234 7.208 1.00 1.56 H new ATOM 0 HE2 LYS A 68 5.796 10.544 7.838 1.00 2.37 H new ATOM 0 HE3 LYS A 68 7.033 11.750 8.133 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 5.956 12.299 6.118 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 7.491 11.712 5.693 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 6.121 10.727 5.499 1.00 2.82 H new ATOM 849 N LYS A 69 8.552 6.834 3.677 1.00 0.29 N ATOM 850 CA LYS A 69 8.245 7.171 2.293 1.00 0.32 C ATOM 851 C LYS A 69 7.727 5.947 1.554 1.00 0.24 C ATOM 852 O LYS A 69 6.916 6.060 0.635 1.00 0.24 O ATOM 853 CB LYS A 69 9.500 7.687 1.588 1.00 0.47 C ATOM 854 CG LYS A 69 10.139 8.873 2.273 1.00 0.57 C ATOM 855 CD LYS A 69 11.452 9.275 1.618 1.00 0.45 C ATOM 856 CE LYS A 69 11.244 9.884 0.238 1.00 0.90 C ATOM 857 NZ LYS A 69 10.504 11.173 0.296 1.00 1.36 N ATOM 0 H LYS A 69 9.550 6.764 3.878 1.00 0.29 H new ATOM 0 HA LYS A 69 7.479 7.946 2.290 1.00 0.32 H new ATOM 0 HB2 LYS A 69 10.229 6.879 1.526 1.00 0.47 H new ATOM 0 HB3 LYS A 69 9.243 7.964 0.566 1.00 0.47 H new ATOM 0 HG2 LYS A 69 9.450 9.718 2.251 1.00 0.57 H new ATOM 0 HG3 LYS A 69 10.316 8.633 3.321 1.00 0.57 H new ATOM 0 HD2 LYS A 69 11.969 9.992 2.255 1.00 0.45 H new ATOM 0 HD3 LYS A 69 12.097 8.400 1.534 1.00 0.45 H new ATOM 0 HE2 LYS A 69 12.212 10.045 -0.236 1.00 0.90 H new ATOM 0 HE3 LYS A 69 10.696 9.180 -0.388 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 10.590 11.664 -0.617 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 9.500 10.988 0.497 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 10.903 11.769 1.049 1.00 1.36 H new ATOM 871 N ALA A 70 8.216 4.779 1.960 1.00 0.21 N ATOM 872 CA ALA A 70 7.825 3.522 1.335 1.00 0.19 C ATOM 873 C ALA A 70 6.318 3.323 1.409 1.00 0.16 C ATOM 874 O ALA A 70 5.649 3.226 0.378 1.00 0.17 O ATOM 875 CB ALA A 70 8.548 2.355 1.991 1.00 0.21 C ATOM 0 H ALA A 70 8.886 4.678 2.722 1.00 0.21 H new ATOM 0 HA ALA A 70 8.110 3.563 0.284 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.245 1.424 1.513 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.625 2.486 1.881 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.293 2.318 3.050 1.00 0.21 H new ATOM 881 N LYS A 71 5.788 3.264 2.635 1.00 0.15 N ATOM 882 CA LYS A 71 4.353 3.142 2.865 1.00 0.17 C ATOM 883 C LYS A 71 3.583 4.205 2.089 1.00 0.16 C ATOM 884 O LYS A 71 2.617 3.901 1.390 1.00 0.17 O ATOM 885 CB LYS A 71 4.055 3.269 4.347 1.00 0.29 C ATOM 886 CG LYS A 71 4.703 2.178 5.172 1.00 0.92 C ATOM 887 CD LYS A 71 4.174 0.796 4.825 1.00 1.29 C ATOM 888 CE LYS A 71 4.979 -0.303 5.503 1.00 1.99 C ATOM 889 NZ LYS A 71 5.019 -0.147 6.983 1.00 2.42 N ATOM 0 H LYS A 71 6.343 3.300 3.490 1.00 0.15 H new ATOM 0 HA LYS A 71 4.033 2.161 2.513 1.00 0.17 H new ATOM 0 HB2 LYS A 71 4.402 4.240 4.701 1.00 0.29 H new ATOM 0 HB3 LYS A 71 2.976 3.241 4.500 1.00 0.29 H new ATOM 0 HG2 LYS A 71 5.782 2.201 5.016 1.00 0.92 H new ATOM 0 HG3 LYS A 71 4.530 2.375 6.230 1.00 0.92 H new ATOM 0 HD2 LYS A 71 3.129 0.720 5.127 1.00 1.29 H new ATOM 0 HD3 LYS A 71 4.205 0.656 3.745 1.00 1.29 H new ATOM 0 HE2 LYS A 71 4.547 -1.272 5.254 1.00 1.99 H new ATOM 0 HE3 LYS A 71 5.997 -0.298 5.112 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 5.476 -0.979 7.408 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 5.560 0.707 7.228 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 4.050 -0.059 7.349 1.00 2.42 H new ATOM 903 N ASP A 72 4.034 5.449 2.229 1.00 0.19 N ATOM 904 CA ASP A 72 3.418 6.595 1.559 1.00 0.24 C ATOM 905 C ASP A 72 3.257 6.378 0.055 1.00 0.22 C ATOM 906 O ASP A 72 2.160 6.531 -0.478 1.00 0.23 O ATOM 907 CB ASP A 72 4.249 7.857 1.812 1.00 0.32 C ATOM 908 CG ASP A 72 3.675 9.084 1.129 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.832 9.770 1.737 1.00 0.99 O ATOM 910 OD2 ASP A 72 4.053 9.361 -0.030 1.00 2.01 O ATOM 0 H ASP A 72 4.836 5.693 2.810 1.00 0.19 H new ATOM 0 HA ASP A 72 2.419 6.713 1.980 1.00 0.24 H new ATOM 0 HB2 ASP A 72 4.309 8.038 2.885 1.00 0.32 H new ATOM 0 HB3 ASP A 72 5.267 7.693 1.459 1.00 0.32 H new ATOM 915 N SER A 73 4.338 6.006 -0.625 1.00 0.21 N ATOM 916 CA SER A 73 4.317 5.897 -2.081 1.00 0.24 C ATOM 917 C SER A 73 3.323 4.836 -2.558 1.00 0.20 C ATOM 918 O SER A 73 2.609 5.043 -3.541 1.00 0.24 O ATOM 919 CB SER A 73 5.719 5.585 -2.612 1.00 0.30 C ATOM 920 OG SER A 73 6.187 4.332 -2.140 1.00 1.14 O ATOM 0 H SER A 73 5.234 5.776 -0.195 1.00 0.21 H new ATOM 0 HA SER A 73 3.989 6.858 -2.477 1.00 0.24 H new ATOM 0 HB2 SER A 73 5.704 5.582 -3.702 1.00 0.30 H new ATOM 0 HB3 SER A 73 6.409 6.371 -2.305 1.00 0.30 H new ATOM 0 HG SER A 73 5.871 4.189 -1.223 1.00 1.14 H new ATOM 926 N ALA A 74 3.284 3.705 -1.863 1.00 0.16 N ATOM 927 CA ALA A 74 2.377 2.625 -2.227 1.00 0.17 C ATOM 928 C ALA A 74 0.932 3.023 -1.948 1.00 0.16 C ATOM 929 O ALA A 74 0.030 2.747 -2.739 1.00 0.17 O ATOM 930 CB ALA A 74 2.736 1.362 -1.466 1.00 0.18 C ATOM 0 H ALA A 74 3.867 3.513 -1.048 1.00 0.16 H new ATOM 0 HA ALA A 74 2.478 2.430 -3.295 1.00 0.17 H new ATOM 0 HB1 ALA A 74 2.051 0.561 -1.746 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.757 1.068 -1.710 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.658 1.548 -0.395 1.00 0.18 H new ATOM 936 N ALA A 75 0.734 3.675 -0.806 1.00 0.18 N ATOM 937 CA ALA A 75 -0.571 4.192 -0.410 1.00 0.21 C ATOM 938 C ALA A 75 -1.166 5.094 -1.493 1.00 0.21 C ATOM 939 O ALA A 75 -2.376 5.111 -1.690 1.00 0.24 O ATOM 940 CB ALA A 75 -0.466 4.947 0.903 1.00 0.26 C ATOM 0 H ALA A 75 1.474 3.860 -0.129 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.239 3.341 -0.277 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.448 5.326 1.184 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.100 4.276 1.680 1.00 0.26 H new ATOM 0 HB3 ALA A 75 0.226 5.781 0.789 1.00 0.26 H new ATOM 946 N VAL A 76 -0.312 5.829 -2.212 1.00 0.21 N ATOM 947 CA VAL A 76 -0.767 6.720 -3.278 1.00 0.25 C ATOM 948 C VAL A 76 -1.450 5.929 -4.393 1.00 0.20 C ATOM 949 O VAL A 76 -2.461 6.358 -4.945 1.00 0.21 O ATOM 950 CB VAL A 76 0.407 7.529 -3.875 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.062 8.415 -5.020 1.00 0.77 C ATOM 952 CG2 VAL A 76 1.079 8.365 -2.800 1.00 0.83 C ATOM 0 H VAL A 76 0.698 5.823 -2.073 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.483 7.412 -2.834 1.00 0.25 H new ATOM 0 HB VAL A 76 1.134 6.821 -4.272 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.785 8.972 -5.420 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.493 7.795 -5.807 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -0.815 9.113 -4.655 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.903 8.928 -3.239 1.00 0.83 H new ATOM 0 HG22 VAL A 76 0.354 9.057 -2.372 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.463 7.711 -2.017 1.00 0.83 H new ATOM 962 N LEU A 77 -0.914 4.751 -4.688 1.00 0.19 N ATOM 963 CA LEU A 77 -1.475 3.899 -5.725 1.00 0.21 C ATOM 964 C LEU A 77 -2.758 3.273 -5.211 1.00 0.22 C ATOM 965 O LEU A 77 -3.695 2.999 -5.963 1.00 0.28 O ATOM 966 CB LEU A 77 -0.478 2.807 -6.112 1.00 0.26 C ATOM 967 CG LEU A 77 0.819 3.296 -6.757 1.00 0.32 C ATOM 968 CD1 LEU A 77 1.750 2.127 -7.025 1.00 0.39 C ATOM 969 CD2 LEU A 77 0.524 4.044 -8.048 1.00 0.39 C ATOM 0 H LEU A 77 -0.092 4.366 -4.223 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.688 4.499 -6.610 1.00 0.21 H new ATOM 0 HB2 LEU A 77 -0.226 2.237 -5.218 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.969 2.119 -6.801 1.00 0.26 H new ATOM 0 HG LEU A 77 1.310 3.981 -6.066 1.00 0.32 H new ATOM 0 HD11 LEU A 77 2.669 2.492 -7.484 1.00 0.39 H new ATOM 0 HD12 LEU A 77 1.987 1.628 -6.085 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.263 1.421 -7.698 1.00 0.39 H new ATOM 0 HD21 LEU A 77 1.459 4.385 -8.493 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.011 3.380 -8.744 1.00 0.39 H new ATOM 0 HD23 LEU A 77 -0.110 4.904 -7.833 1.00 0.39 H new ATOM 981 N LEU A 78 -2.782 3.069 -3.906 1.00 0.22 N ATOM 982 CA LEU A 78 -3.927 2.514 -3.215 1.00 0.27 C ATOM 983 C LEU A 78 -5.098 3.491 -3.260 1.00 0.27 C ATOM 984 O LEU A 78 -6.242 3.099 -3.494 1.00 0.29 O ATOM 985 CB LEU A 78 -3.532 2.233 -1.775 1.00 0.36 C ATOM 986 CG LEU A 78 -4.470 1.334 -0.987 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.423 -0.089 -1.529 1.00 0.77 C ATOM 988 CD2 LEU A 78 -4.089 1.386 0.483 1.00 0.81 C ATOM 0 H LEU A 78 -1.998 3.287 -3.292 1.00 0.22 H new ATOM 0 HA LEU A 78 -4.239 1.590 -3.701 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.541 1.780 -1.774 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -3.448 3.185 -1.250 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.496 1.686 -1.093 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -5.100 -0.720 -0.954 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -4.727 -0.090 -2.576 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.408 -0.477 -1.446 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.758 0.743 1.055 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.062 1.041 0.605 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -4.173 2.411 0.845 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.795 4.763 -3.038 1.00 0.30 N ATOM 1001 CA LEU A 79 -5.795 5.819 -3.108 1.00 0.38 C ATOM 1002 C LEU A 79 -6.401 5.904 -4.502 1.00 0.34 C ATOM 1003 O LEU A 79 -7.556 6.290 -4.661 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.179 7.166 -2.721 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.332 7.568 -1.250 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -6.797 7.785 -0.903 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -4.720 6.520 -0.339 1.00 1.08 C ATOM 0 H LEU A 79 -3.857 5.090 -2.806 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.589 5.577 -2.402 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.117 7.142 -2.964 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -5.630 7.942 -3.340 1.00 0.48 H new ATOM 0 HG LEU A 79 -4.799 8.507 -1.098 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -6.884 8.070 0.146 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -7.206 8.578 -1.529 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -7.352 6.863 -1.076 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -4.840 6.826 0.700 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -5.220 5.564 -0.496 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -3.659 6.415 -0.566 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.621 5.539 -5.507 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.113 5.527 -6.874 1.00 0.33 C ATOM 1021 C GLU A 80 -7.010 4.317 -7.097 1.00 0.27 C ATOM 1022 O GLU A 80 -8.040 4.409 -7.755 1.00 0.30 O ATOM 1023 CB GLU A 80 -4.951 5.523 -7.865 1.00 0.43 C ATOM 1024 CG GLU A 80 -4.045 6.733 -7.730 1.00 0.80 C ATOM 1025 CD GLU A 80 -3.111 6.896 -8.907 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -2.097 6.170 -8.964 1.00 2.13 O ATOM 1027 OE2 GLU A 80 -3.377 7.747 -9.777 1.00 1.86 O ATOM 0 H GLU A 80 -4.649 5.248 -5.402 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.698 6.431 -7.041 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -4.361 4.618 -7.720 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -5.348 5.486 -8.880 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -4.656 7.630 -7.629 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -3.459 6.643 -6.816 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.626 3.195 -6.506 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.408 1.967 -6.585 1.00 0.24 C ATOM 1036 C LEU A 81 -8.768 2.192 -5.927 1.00 0.25 C ATOM 1037 O LEU A 81 -9.812 1.881 -6.503 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.644 0.827 -5.898 1.00 0.31 C ATOM 1039 CG LEU A 81 -7.209 -0.590 -6.079 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -6.132 -1.620 -5.785 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -8.405 -0.833 -5.170 1.00 1.17 C ATOM 0 H LEU A 81 -5.768 3.109 -5.961 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.569 1.691 -7.627 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.618 0.834 -6.267 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -6.600 1.042 -4.830 1.00 0.31 H new ATOM 0 HG LEU A 81 -7.540 -0.686 -7.113 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -6.541 -2.622 -5.916 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -5.296 -1.477 -6.469 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -5.785 -1.501 -4.759 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -8.779 -1.845 -5.324 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -8.102 -0.713 -4.130 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -9.192 -0.116 -5.404 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.731 2.752 -4.723 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.930 3.094 -3.964 1.00 0.41 C ATOM 1055 C LEU A 82 -10.757 4.181 -4.650 1.00 0.46 C ATOM 1056 O LEU A 82 -11.917 4.394 -4.305 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.525 3.547 -2.560 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.564 2.463 -1.481 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -9.011 1.139 -1.991 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -8.794 2.916 -0.250 1.00 1.15 C ATOM 0 H LEU A 82 -7.862 2.983 -4.242 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.557 2.204 -3.905 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.515 3.953 -2.606 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -10.183 4.361 -2.256 1.00 0.50 H new ATOM 0 HG LEU A 82 -10.608 2.303 -1.212 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -9.056 0.395 -1.195 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -9.605 0.799 -2.839 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -7.976 1.274 -2.304 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -8.830 2.135 0.510 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.756 3.111 -0.521 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -9.243 3.827 0.145 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.166 4.858 -5.619 1.00 0.45 N ATOM 1073 CA ASN A 83 -10.872 5.895 -6.362 1.00 0.55 C ATOM 1074 C ASN A 83 -11.422 5.311 -7.659 1.00 0.53 C ATOM 1075 O ASN A 83 -12.192 5.949 -8.380 1.00 0.59 O ATOM 1076 CB ASN A 83 -9.927 7.072 -6.638 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.583 8.216 -7.389 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -11.251 9.065 -6.795 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -10.365 8.272 -8.695 1.00 1.46 N ATOM 0 H ASN A 83 -9.200 4.711 -5.912 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.710 6.266 -5.772 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.540 7.446 -5.690 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.073 6.714 -7.213 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -10.756 9.037 -9.245 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -9.807 7.550 -9.150 1.00 1.46 H new