USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 15 ASN : amide:sc= -0.0155 K(o=-0.015,f=0.67) USER MOD Single : A 18 CYS SG : rot 126:sc= -1.67 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0153) USER MOD Single : A 22 ASN : amide:sc= -0.385 K(o=-0.39,f=-1.2) USER MOD Single : A 25 MET CE :methyl 174:sc= 0 (180deg=-0.0387) 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 9:sc= -1.24 USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= 0.173 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0966 X(o=-0.097,f=-0.14) USER MOD Single : A 40 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 X(o=0,f=-0.0099) USER MOD Single : A 50 THR OG1 : rot -66:sc= -1.11! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.996 USER MOD Single : A 59 CYS SG : rot 36:sc= -1.98! USER MOD Single : A 64 MET CE :methyl -135:sc= -0.469 (180deg=-1.35) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0.056 (180deg=-0.00877) USER MOD Single : A 73 SER OG : rot 160:sc=0.000354 USER MOD Single : A 83 ASN : amide:sc= -0.0556 X(o=-0.056,f=-0.056) USER MOD Single : A 84 LYS NZ :NH3+ -168:sc= -0.0236 (180deg=-0.194) USER MOD Single : A 85 THR OG1 : rot -140:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 15 -6.498 5.063 5.432 1.00 0.92 N ATOM 2 CA ASN A 15 -7.396 4.242 6.277 1.00 0.85 C ATOM 3 C ASN A 15 -8.785 4.864 6.386 1.00 0.80 C ATOM 4 O ASN A 15 -9.739 4.184 6.760 1.00 0.75 O ATOM 5 CB ASN A 15 -6.796 4.038 7.673 1.00 0.93 C ATOM 6 CG ASN A 15 -5.576 3.137 7.660 1.00 1.63 C ATOM 7 OD1 ASN A 15 -4.840 3.077 6.677 1.00 2.49 O ATOM 8 ND2 ASN A 15 -5.356 2.428 8.757 1.00 1.95 N ATOM 0 HA ASN A 15 -7.498 3.270 5.794 1.00 0.85 H new ATOM 0 HB2 ASN A 15 -6.523 5.007 8.092 1.00 0.93 H new ATOM 0 HB3 ASN A 15 -7.553 3.609 8.330 1.00 0.93 H new ATOM 0 HD21 ASN A 15 -4.551 1.803 8.808 1.00 1.95 H new ATOM 0 HD22 ASN A 15 -5.991 2.507 9.551 1.00 1.95 H new ATOM 17 N ASP A 16 -8.907 6.150 6.056 1.00 0.85 N ATOM 18 CA ASP A 16 -10.185 6.855 6.163 1.00 0.87 C ATOM 19 C ASP A 16 -11.186 6.291 5.166 1.00 0.75 C ATOM 20 O ASP A 16 -12.333 6.017 5.510 1.00 0.74 O ATOM 21 CB ASP A 16 -10.017 8.354 5.889 1.00 1.00 C ATOM 22 CG ASP A 16 -9.011 9.022 6.799 1.00 1.63 C ATOM 23 OD1 ASP A 16 -9.341 9.264 7.979 1.00 1.81 O ATOM 24 OD2 ASP A 16 -7.890 9.309 6.344 1.00 2.46 O ATOM 0 H ASP A 16 -8.137 6.724 5.713 1.00 0.85 H new ATOM 0 HA ASP A 16 -10.549 6.714 7.181 1.00 0.87 H new ATOM 0 HB2 ASP A 16 -9.708 8.494 4.853 1.00 1.00 H new ATOM 0 HB3 ASP A 16 -10.982 8.847 6.003 1.00 1.00 H new ATOM 29 N ILE A 17 -10.733 6.115 3.930 1.00 0.70 N ATOM 30 CA ILE A 17 -11.585 5.592 2.869 1.00 0.64 C ATOM 31 C ILE A 17 -12.035 4.178 3.208 1.00 0.57 C ATOM 32 O ILE A 17 -13.190 3.813 2.997 1.00 0.57 O ATOM 33 CB ILE A 17 -10.879 5.606 1.488 1.00 0.65 C ATOM 34 CG1 ILE A 17 -10.680 7.043 1.000 1.00 0.74 C ATOM 35 CG2 ILE A 17 -11.679 4.817 0.459 1.00 0.65 C ATOM 36 CD1 ILE A 17 -9.644 7.824 1.773 1.00 0.80 C ATOM 0 H ILE A 17 -9.779 6.327 3.638 1.00 0.70 H new ATOM 0 HA ILE A 17 -12.453 6.247 2.799 1.00 0.64 H new ATOM 0 HB ILE A 17 -9.904 5.134 1.607 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -10.392 7.021 -0.051 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -11.633 7.569 1.058 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -11.163 4.842 -0.501 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -11.779 3.783 0.790 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -12.669 5.260 0.350 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -9.566 8.831 1.362 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -9.939 7.881 2.821 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -8.678 7.324 1.695 1.00 0.80 H new ATOM 48 N CYS A 18 -11.121 3.406 3.774 1.00 0.55 N ATOM 49 CA CYS A 18 -11.416 2.047 4.194 1.00 0.51 C ATOM 50 C CYS A 18 -12.433 2.061 5.325 1.00 0.53 C ATOM 51 O CYS A 18 -13.400 1.300 5.322 1.00 0.51 O ATOM 52 CB CYS A 18 -10.127 1.358 4.649 1.00 0.52 C ATOM 53 SG CYS A 18 -8.857 1.258 3.366 1.00 1.35 S ATOM 0 H CYS A 18 -10.161 3.701 3.954 1.00 0.55 H new ATOM 0 HA CYS A 18 -11.837 1.494 3.354 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -9.722 1.896 5.506 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -10.366 0.350 4.989 1.00 0.52 H new ATOM 0 HG CYS A 18 -7.750 1.774 3.811 1.00 1.35 H new ATOM 59 N LEU A 19 -12.216 2.965 6.269 1.00 0.58 N ATOM 60 CA LEU A 19 -13.100 3.119 7.413 1.00 0.63 C ATOM 61 C LEU A 19 -14.503 3.468 6.945 1.00 0.63 C ATOM 62 O LEU A 19 -15.484 2.828 7.327 1.00 0.63 O ATOM 63 CB LEU A 19 -12.571 4.229 8.315 1.00 0.72 C ATOM 64 CG LEU A 19 -13.318 4.428 9.634 1.00 0.83 C ATOM 65 CD1 LEU A 19 -13.169 3.206 10.524 1.00 1.14 C ATOM 66 CD2 LEU A 19 -12.813 5.674 10.345 1.00 1.16 C ATOM 0 H LEU A 19 -11.425 3.610 6.263 1.00 0.58 H new ATOM 0 HA LEU A 19 -13.135 2.181 7.967 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -11.525 4.021 8.540 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -12.597 5.166 7.759 1.00 0.72 H new ATOM 0 HG LEU A 19 -14.377 4.561 9.414 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -13.708 3.368 11.458 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -13.579 2.333 10.015 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -12.114 3.039 10.739 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -13.354 5.803 11.282 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -11.748 5.568 10.552 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -12.974 6.546 9.711 1.00 1.16 H new ATOM 78 N ARG A 20 -14.574 4.496 6.115 1.00 0.64 N ATOM 79 CA ARG A 20 -15.824 4.967 5.529 1.00 0.65 C ATOM 80 C ARG A 20 -16.547 3.848 4.781 1.00 0.58 C ATOM 81 O ARG A 20 -17.766 3.705 4.877 1.00 0.60 O ATOM 82 CB ARG A 20 -15.499 6.107 4.561 1.00 0.69 C ATOM 83 CG ARG A 20 -16.704 6.888 4.068 1.00 0.82 C ATOM 84 CD ARG A 20 -16.315 7.814 2.923 1.00 1.37 C ATOM 85 NE ARG A 20 -15.105 8.588 3.224 1.00 2.06 N ATOM 86 CZ ARG A 20 -14.302 9.109 2.294 1.00 2.90 C ATOM 87 NH1 ARG A 20 -14.596 8.979 1.007 1.00 3.23 N ATOM 88 NH2 ARG A 20 -13.205 9.763 2.655 1.00 3.84 N ATOM 0 H ARG A 20 -13.758 5.035 5.824 1.00 0.64 H new ATOM 0 HA ARG A 20 -16.484 5.310 6.326 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -14.813 6.797 5.052 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -14.974 5.694 3.699 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -17.480 6.198 3.736 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -17.125 7.471 4.887 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -16.152 7.225 2.020 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -17.139 8.497 2.714 1.00 1.37 H new ATOM 0 HE ARG A 20 -14.863 8.737 4.204 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -15.439 8.479 0.724 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -13.979 9.379 0.300 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -12.976 9.867 3.643 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -12.591 10.161 1.944 1.00 3.84 H new ATOM 102 N LYS A 21 -15.779 3.052 4.046 1.00 0.51 N ATOM 103 CA LYS A 21 -16.314 1.966 3.231 1.00 0.46 C ATOM 104 C LYS A 21 -16.736 0.769 4.076 1.00 0.45 C ATOM 105 O LYS A 21 -17.175 -0.252 3.548 1.00 0.44 O ATOM 106 CB LYS A 21 -15.257 1.542 2.218 1.00 0.41 C ATOM 107 CG LYS A 21 -15.377 2.259 0.892 1.00 0.52 C ATOM 108 CD LYS A 21 -16.644 1.834 0.185 1.00 0.72 C ATOM 109 CE LYS A 21 -16.854 2.595 -1.110 1.00 0.72 C ATOM 110 NZ LYS A 21 -17.250 4.006 -0.871 1.00 1.10 N ATOM 0 H LYS A 21 -14.764 3.141 3.998 1.00 0.51 H new ATOM 0 HA LYS A 21 -17.206 2.329 2.721 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -14.268 1.729 2.636 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -15.335 0.468 2.051 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -15.385 3.337 1.052 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -14.511 2.035 0.269 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.601 0.765 -0.025 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -17.498 1.995 0.843 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -15.936 2.571 -1.697 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -17.623 2.098 -1.701 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -17.481 4.460 -1.778 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -18.082 4.032 -0.248 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.464 4.516 -0.420 1.00 1.10 H new ATOM 124 N ASN A 22 -16.571 0.910 5.381 1.00 0.48 N ATOM 125 CA ASN A 22 -16.919 -0.130 6.352 1.00 0.50 C ATOM 126 C ASN A 22 -15.978 -1.324 6.199 1.00 0.42 C ATOM 127 O ASN A 22 -16.307 -2.461 6.543 1.00 0.49 O ATOM 128 CB ASN A 22 -18.387 -0.557 6.204 1.00 0.59 C ATOM 129 CG ASN A 22 -18.858 -1.464 7.330 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.396 -1.358 8.467 1.00 1.55 O ATOM 131 ND2 ASN A 22 -19.777 -2.364 7.022 1.00 1.92 N ATOM 0 H ASN A 22 -16.189 1.755 5.806 1.00 0.48 H new ATOM 0 HA ASN A 22 -16.800 0.278 7.356 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -19.017 0.332 6.173 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -18.516 -1.072 5.252 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -20.127 -3.001 7.738 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -20.136 -2.421 6.069 1.00 1.92 H new ATOM 138 N TRP A 23 -14.796 -1.048 5.683 1.00 0.35 N ATOM 139 CA TRP A 23 -13.761 -2.053 5.535 1.00 0.29 C ATOM 140 C TRP A 23 -12.877 -2.066 6.769 1.00 0.34 C ATOM 141 O TRP A 23 -12.872 -1.115 7.557 1.00 0.40 O ATOM 142 CB TRP A 23 -12.891 -1.752 4.315 1.00 0.26 C ATOM 143 CG TRP A 23 -13.605 -1.794 3.000 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.766 -2.440 2.690 1.00 0.25 C ATOM 145 CD2 TRP A 23 -13.164 -1.166 1.803 1.00 0.24 C ATOM 146 NE1 TRP A 23 -15.073 -2.238 1.362 1.00 0.25 N ATOM 147 CE2 TRP A 23 -14.098 -1.457 0.798 1.00 0.25 C ATOM 148 CE3 TRP A 23 -12.062 -0.377 1.494 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.956 -0.981 -0.505 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.922 0.094 0.210 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.863 -0.210 -0.779 1.00 0.31 C ATOM 0 H TRP A 23 -14.526 -0.121 5.355 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.243 -3.022 5.407 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -12.448 -0.764 4.439 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -12.070 -2.468 4.288 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -15.356 -3.023 3.382 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.891 -2.609 0.878 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -11.328 -0.138 2.250 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.683 -1.213 -1.269 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -11.070 0.710 -0.039 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.722 0.173 -1.779 1.00 0.31 H new ATOM 162 N PRO A 24 -12.140 -3.155 6.962 1.00 0.34 N ATOM 163 CA PRO A 24 -11.087 -3.205 7.948 1.00 0.40 C ATOM 164 C PRO A 24 -9.876 -2.415 7.483 1.00 0.39 C ATOM 165 O PRO A 24 -9.859 -1.866 6.379 1.00 0.41 O ATOM 166 CB PRO A 24 -10.732 -4.681 8.071 1.00 0.43 C ATOM 167 CG PRO A 24 -11.450 -5.403 6.986 1.00 0.44 C ATOM 168 CD PRO A 24 -12.289 -4.410 6.229 1.00 0.34 C ATOM 0 HA PRO A 24 -11.401 -2.772 8.898 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.655 -4.826 7.981 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.025 -5.066 9.048 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.738 -5.886 6.317 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -12.078 -6.189 7.405 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -11.948 -4.309 5.199 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.332 -4.723 6.190 1.00 0.34 H new ATOM 176 N MET A 25 -8.860 -2.371 8.316 1.00 0.47 N ATOM 177 CA MET A 25 -7.663 -1.617 8.008 1.00 0.47 C ATOM 178 C MET A 25 -6.775 -2.413 7.063 1.00 0.38 C ATOM 179 O MET A 25 -6.648 -3.631 7.203 1.00 0.44 O ATOM 180 CB MET A 25 -6.939 -1.288 9.304 1.00 0.61 C ATOM 181 CG MET A 25 -7.836 -0.553 10.278 1.00 0.70 C ATOM 182 SD MET A 25 -8.299 1.089 9.686 1.00 0.90 S ATOM 183 CE MET A 25 -9.514 1.567 10.910 1.00 1.00 C ATOM 0 H MET A 25 -8.838 -2.850 9.216 1.00 0.47 H new ATOM 0 HA MET A 25 -7.925 -0.685 7.508 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.580 -2.209 9.764 1.00 0.61 H new ATOM 0 HB3 MET A 25 -6.062 -0.678 9.086 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.737 -1.141 10.452 1.00 0.70 H new ATOM 0 HG3 MET A 25 -7.327 -0.460 11.237 1.00 0.70 H new ATOM 0 HE1 MET A 25 -9.814 2.601 10.740 1.00 1.00 H new ATOM 0 HE2 MET A 25 -10.386 0.918 10.830 1.00 1.00 H new ATOM 0 HE3 MET A 25 -9.083 1.473 11.907 1.00 1.00 H new ATOM 193 N PRO A 26 -6.161 -1.737 6.078 1.00 0.32 N ATOM 194 CA PRO A 26 -5.384 -2.402 5.036 1.00 0.25 C ATOM 195 C PRO A 26 -4.122 -3.052 5.575 1.00 0.23 C ATOM 196 O PRO A 26 -3.618 -2.686 6.636 1.00 0.27 O ATOM 197 CB PRO A 26 -4.996 -1.280 4.071 1.00 0.30 C ATOM 198 CG PRO A 26 -5.803 -0.091 4.470 1.00 0.46 C ATOM 199 CD PRO A 26 -6.158 -0.275 5.916 1.00 0.44 C ATOM 0 HA PRO A 26 -5.965 -3.201 4.576 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -3.929 -1.065 4.133 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.205 -1.564 3.040 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.235 0.828 4.325 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -6.702 -0.010 3.858 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.430 0.201 6.573 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -7.130 0.158 6.150 1.00 0.44 H new ATOM 207 N SER A 27 -3.613 -4.005 4.821 1.00 0.20 N ATOM 208 CA SER A 27 -2.384 -4.686 5.170 1.00 0.20 C ATOM 209 C SER A 27 -1.201 -3.846 4.731 1.00 0.17 C ATOM 210 O SER A 27 -1.253 -3.208 3.679 1.00 0.17 O ATOM 211 CB SER A 27 -2.327 -6.043 4.481 1.00 0.25 C ATOM 212 OG SER A 27 -1.232 -6.816 4.942 1.00 0.30 O ATOM 0 H SER A 27 -4.038 -4.328 3.952 1.00 0.20 H new ATOM 0 HA SER A 27 -2.350 -4.833 6.250 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.256 -6.583 4.662 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.245 -5.902 3.403 1.00 0.25 H new ATOM 0 HG SER A 27 -1.225 -7.681 4.481 1.00 0.30 H new ATOM 218 N TYR A 28 -0.140 -3.857 5.515 1.00 0.17 N ATOM 219 CA TYR A 28 1.050 -3.106 5.182 1.00 0.17 C ATOM 220 C TYR A 28 2.266 -3.981 5.458 1.00 0.20 C ATOM 221 O TYR A 28 2.577 -4.272 6.613 1.00 0.25 O ATOM 222 CB TYR A 28 1.123 -1.801 5.987 1.00 0.20 C ATOM 223 CG TYR A 28 0.180 -0.719 5.495 1.00 0.19 C ATOM 224 CD1 TYR A 28 -1.117 -0.612 5.986 1.00 0.20 C ATOM 225 CD2 TYR A 28 0.594 0.200 4.539 1.00 0.22 C ATOM 226 CE1 TYR A 28 -1.970 0.380 5.533 1.00 0.23 C ATOM 227 CE2 TYR A 28 -0.248 1.190 4.083 1.00 0.25 C ATOM 228 CZ TYR A 28 -1.528 1.278 4.582 1.00 0.25 C ATOM 229 OH TYR A 28 -2.371 2.264 4.123 1.00 0.30 O ATOM 0 H TYR A 28 -0.080 -4.380 6.389 1.00 0.17 H new ATOM 0 HA TYR A 28 1.024 -2.831 4.127 1.00 0.17 H new ATOM 0 HB2 TYR A 28 0.898 -2.017 7.031 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.144 -1.422 5.953 1.00 0.20 H new ATOM 0 HD1 TYR A 28 -1.464 -1.313 6.731 1.00 0.20 H new ATOM 0 HD2 TYR A 28 1.598 0.137 4.145 1.00 0.22 H new ATOM 0 HE1 TYR A 28 -2.975 0.451 5.921 1.00 0.23 H new ATOM 0 HE2 TYR A 28 0.094 1.893 3.338 1.00 0.25 H new ATOM 0 HH TYR A 28 -1.903 2.811 3.458 1.00 0.30 H new ATOM 239 N ARG A 29 2.944 -4.412 4.398 1.00 0.23 N ATOM 240 CA ARG A 29 4.036 -5.369 4.517 1.00 0.33 C ATOM 241 C ARG A 29 5.146 -5.043 3.526 1.00 0.24 C ATOM 242 O ARG A 29 4.912 -4.996 2.315 1.00 0.22 O ATOM 243 CB ARG A 29 3.534 -6.786 4.246 1.00 0.50 C ATOM 244 CG ARG A 29 2.526 -7.305 5.255 1.00 1.34 C ATOM 245 CD ARG A 29 2.079 -8.712 4.897 1.00 1.55 C ATOM 246 NE ARG A 29 3.219 -9.616 4.747 1.00 2.13 N ATOM 247 CZ ARG A 29 3.241 -10.662 3.923 1.00 2.75 C ATOM 248 NH1 ARG A 29 2.175 -10.960 3.184 1.00 2.84 N ATOM 249 NH2 ARG A 29 4.331 -11.413 3.844 1.00 3.69 N ATOM 0 H ARG A 29 2.754 -4.111 3.442 1.00 0.23 H new ATOM 0 HA ARG A 29 4.426 -5.306 5.533 1.00 0.33 H new ATOM 0 HB2 ARG A 29 3.082 -6.813 3.254 1.00 0.50 H new ATOM 0 HB3 ARG A 29 4.389 -7.462 4.226 1.00 0.50 H new ATOM 0 HG2 ARG A 29 2.968 -7.302 6.252 1.00 1.34 H new ATOM 0 HG3 ARG A 29 1.662 -6.641 5.287 1.00 1.34 H new ATOM 0 HD2 ARG A 29 1.412 -9.091 5.672 1.00 1.55 H new ATOM 0 HD3 ARG A 29 1.508 -8.688 3.969 1.00 1.55 H new ATOM 0 HE ARG A 29 4.050 -9.434 5.309 1.00 2.13 H new ATOM 0 HH11 ARG A 29 1.334 -10.386 3.247 1.00 2.84 H new ATOM 0 HH12 ARG A 29 2.199 -11.763 2.555 1.00 2.84 H new ATOM 0 HH21 ARG A 29 5.147 -11.188 4.413 1.00 3.69 H new ATOM 0 HH22 ARG A 29 4.353 -12.215 3.214 1.00 3.69 H new ATOM 263 N CYS A 30 6.348 -4.827 4.034 1.00 0.31 N ATOM 264 CA CYS A 30 7.485 -4.513 3.185 1.00 0.31 C ATOM 265 C CYS A 30 7.908 -5.750 2.403 1.00 0.27 C ATOM 266 O CYS A 30 8.247 -6.781 2.987 1.00 0.30 O ATOM 267 CB CYS A 30 8.647 -3.985 4.025 1.00 0.45 C ATOM 268 SG CYS A 30 10.024 -3.330 3.054 1.00 1.53 S ATOM 0 H CYS A 30 6.562 -4.863 5.031 1.00 0.31 H new ATOM 0 HA CYS A 30 7.194 -3.736 2.478 1.00 0.31 H new ATOM 0 HB2 CYS A 30 8.277 -3.201 4.685 1.00 0.45 H new ATOM 0 HB3 CYS A 30 9.016 -4.789 4.661 1.00 0.45 H new ATOM 0 HG CYS A 30 9.681 -3.268 1.802 1.00 1.53 H new ATOM 274 N VAL A 31 7.874 -5.648 1.082 1.00 0.26 N ATOM 275 CA VAL A 31 8.174 -6.787 0.227 1.00 0.28 C ATOM 276 C VAL A 31 9.663 -6.904 -0.036 1.00 0.27 C ATOM 277 O VAL A 31 10.203 -8.007 -0.125 1.00 0.32 O ATOM 278 CB VAL A 31 7.427 -6.715 -1.118 1.00 0.34 C ATOM 279 CG1 VAL A 31 5.929 -6.738 -0.889 1.00 1.15 C ATOM 280 CG2 VAL A 31 7.820 -5.486 -1.921 1.00 1.15 C ATOM 0 H VAL A 31 7.642 -4.791 0.580 1.00 0.26 H new ATOM 0 HA VAL A 31 7.833 -7.670 0.766 1.00 0.28 H new ATOM 0 HB VAL A 31 7.714 -7.591 -1.700 1.00 0.34 H new ATOM 0 HG11 VAL A 31 5.413 -6.687 -1.848 1.00 1.15 H new ATOM 0 HG12 VAL A 31 5.653 -7.660 -0.378 1.00 1.15 H new ATOM 0 HG13 VAL A 31 5.641 -5.884 -0.276 1.00 1.15 H new ATOM 0 HG21 VAL A 31 7.270 -5.475 -2.862 1.00 1.15 H new ATOM 0 HG22 VAL A 31 7.583 -4.588 -1.351 1.00 1.15 H new ATOM 0 HG23 VAL A 31 8.890 -5.513 -2.127 1.00 1.15 H new ATOM 290 N LYS A 32 10.327 -5.769 -0.154 1.00 0.24 N ATOM 291 CA LYS A 32 11.757 -5.748 -0.402 1.00 0.26 C ATOM 292 C LYS A 32 12.450 -4.712 0.471 1.00 0.31 C ATOM 293 O LYS A 32 12.118 -3.525 0.442 1.00 0.31 O ATOM 294 CB LYS A 32 12.053 -5.440 -1.865 1.00 0.30 C ATOM 295 CG LYS A 32 13.534 -5.388 -2.186 1.00 0.61 C ATOM 296 CD LYS A 32 14.267 -6.646 -1.750 1.00 1.14 C ATOM 297 CE LYS A 32 15.758 -6.538 -2.019 1.00 1.37 C ATOM 298 NZ LYS A 32 16.508 -7.693 -1.459 1.00 2.25 N ATOM 0 H LYS A 32 9.897 -4.847 -0.082 1.00 0.24 H new ATOM 0 HA LYS A 32 12.140 -6.739 -0.156 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.581 -6.198 -2.490 1.00 0.30 H new ATOM 0 HB3 LYS A 32 11.599 -4.484 -2.125 1.00 0.30 H new ATOM 0 HG2 LYS A 32 13.666 -5.248 -3.259 1.00 0.61 H new ATOM 0 HG3 LYS A 32 13.979 -4.523 -1.695 1.00 0.61 H new ATOM 0 HD2 LYS A 32 14.099 -6.817 -0.687 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.861 -7.508 -2.280 1.00 1.14 H new ATOM 0 HE2 LYS A 32 15.930 -6.481 -3.094 1.00 1.37 H new ATOM 0 HE3 LYS A 32 16.139 -5.613 -1.586 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 17.227 -7.349 -0.790 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 15.849 -8.327 -0.963 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 16.973 -8.212 -2.231 1.00 2.25 H new ATOM 312 N GLU A 33 13.417 -5.184 1.229 1.00 0.52 N ATOM 313 CA GLU A 33 14.227 -4.338 2.094 1.00 0.65 C ATOM 314 C GLU A 33 15.597 -4.969 2.299 1.00 0.98 C ATOM 315 O GLU A 33 15.693 -6.149 2.638 1.00 1.39 O ATOM 316 CB GLU A 33 13.535 -4.124 3.447 1.00 1.01 C ATOM 317 CG GLU A 33 14.361 -3.321 4.439 1.00 1.34 C ATOM 318 CD GLU A 33 13.652 -3.114 5.760 1.00 1.80 C ATOM 319 OE1 GLU A 33 13.578 -4.073 6.557 1.00 1.99 O ATOM 320 OE2 GLU A 33 13.162 -1.994 6.013 1.00 2.60 O ATOM 0 H GLU A 33 13.669 -6.172 1.266 1.00 0.52 H new ATOM 0 HA GLU A 33 14.349 -3.367 1.615 1.00 0.65 H new ATOM 0 HB2 GLU A 33 12.586 -3.614 3.282 1.00 1.01 H new ATOM 0 HB3 GLU A 33 13.303 -5.095 3.884 1.00 1.01 H new ATOM 0 HG2 GLU A 33 15.307 -3.833 4.616 1.00 1.34 H new ATOM 0 HG3 GLU A 33 14.600 -2.351 4.004 1.00 1.34 H new ATOM 327 N GLY A 34 16.652 -4.196 2.085 1.00 1.02 N ATOM 328 CA GLY A 34 17.987 -4.689 2.347 1.00 1.52 C ATOM 329 C GLY A 34 18.618 -5.363 1.146 1.00 1.29 C ATOM 330 O GLY A 34 17.985 -5.515 0.099 1.00 1.69 O ATOM 0 H GLY A 34 16.607 -3.239 1.736 1.00 1.02 H new ATOM 0 HA2 GLY A 34 18.619 -3.859 2.664 1.00 1.52 H new ATOM 0 HA3 GLY A 34 17.951 -5.396 3.176 1.00 1.52 H new ATOM 334 N GLY A 35 19.864 -5.773 1.308 1.00 1.53 N ATOM 335 CA GLY A 35 20.600 -6.387 0.227 1.00 1.64 C ATOM 336 C GLY A 35 22.081 -6.112 0.351 1.00 1.92 C ATOM 337 O GLY A 35 22.578 -5.932 1.465 1.00 2.13 O ATOM 0 H GLY A 35 20.384 -5.690 2.181 1.00 1.53 H new ATOM 0 HA2 GLY A 35 20.425 -7.463 0.229 1.00 1.64 H new ATOM 0 HA3 GLY A 35 20.235 -6.007 -0.727 1.00 1.64 H new ATOM 341 N PRO A 36 22.807 -6.078 -0.775 1.00 2.06 N ATOM 342 CA PRO A 36 24.246 -5.785 -0.795 1.00 2.40 C ATOM 343 C PRO A 36 24.591 -4.485 -0.062 1.00 2.43 C ATOM 344 O PRO A 36 25.127 -4.509 1.048 1.00 3.00 O ATOM 345 CB PRO A 36 24.553 -5.668 -2.292 1.00 2.51 C ATOM 346 CG PRO A 36 23.523 -6.514 -2.950 1.00 2.43 C ATOM 347 CD PRO A 36 22.281 -6.347 -2.124 1.00 2.06 C ATOM 0 HA PRO A 36 24.830 -6.550 -0.284 1.00 2.40 H new ATOM 0 HB2 PRO A 36 24.492 -4.634 -2.630 1.00 2.51 H new ATOM 0 HB3 PRO A 36 25.560 -6.019 -2.519 1.00 2.51 H new ATOM 0 HG2 PRO A 36 23.355 -6.198 -3.980 1.00 2.43 H new ATOM 0 HG3 PRO A 36 23.835 -7.558 -2.983 1.00 2.43 H new ATOM 0 HD2 PRO A 36 21.664 -5.525 -2.487 1.00 2.06 H new ATOM 0 HD3 PRO A 36 21.661 -7.243 -2.143 1.00 2.06 H new ATOM 355 N ALA A 37 24.265 -3.357 -0.677 1.00 2.18 N ATOM 356 CA ALA A 37 24.490 -2.049 -0.070 1.00 2.20 C ATOM 357 C ALA A 37 23.626 -1.003 -0.755 1.00 1.91 C ATOM 358 O ALA A 37 22.988 -0.180 -0.102 1.00 1.86 O ATOM 359 CB ALA A 37 25.960 -1.656 -0.138 1.00 2.61 C ATOM 0 H ALA A 37 23.840 -3.320 -1.604 1.00 2.18 H new ATOM 0 HA ALA A 37 24.210 -2.107 0.982 1.00 2.20 H new ATOM 0 HB1 ALA A 37 26.097 -0.677 0.322 1.00 2.61 H new ATOM 0 HB2 ALA A 37 26.559 -2.394 0.395 1.00 2.61 H new ATOM 0 HB3 ALA A 37 26.278 -1.615 -1.180 1.00 2.61 H new ATOM 365 N HIS A 38 23.588 -1.063 -2.081 1.00 1.80 N ATOM 366 CA HIS A 38 22.759 -0.154 -2.874 1.00 1.61 C ATOM 367 C HIS A 38 21.296 -0.584 -2.854 1.00 1.37 C ATOM 368 O HIS A 38 20.482 -0.085 -3.628 1.00 1.39 O ATOM 369 CB HIS A 38 23.258 -0.096 -4.326 1.00 1.69 C ATOM 370 CG HIS A 38 23.257 -1.425 -5.028 1.00 1.73 C ATOM 371 ND1 HIS A 38 24.388 -2.197 -5.168 1.00 2.01 N ATOM 372 CD2 HIS A 38 22.254 -2.123 -5.615 1.00 1.66 C ATOM 373 CE1 HIS A 38 24.083 -3.312 -5.804 1.00 2.10 C ATOM 374 NE2 HIS A 38 22.797 -3.291 -6.087 1.00 1.91 N ATOM 0 H HIS A 38 24.122 -1.733 -2.634 1.00 1.80 H new ATOM 0 HA HIS A 38 22.837 0.837 -2.427 1.00 1.61 H new ATOM 0 HB2 HIS A 38 22.633 0.599 -4.886 1.00 1.69 H new ATOM 0 HB3 HIS A 38 24.271 0.307 -4.335 1.00 1.69 H new ATOM 0 HD2 HIS A 38 21.221 -1.817 -5.696 1.00 1.66 H new ATOM 0 HE1 HIS A 38 24.771 -4.107 -6.051 1.00 2.10 H new ATOM 0 HE2 HIS A 38 22.287 -4.025 -6.578 1.00 1.91 H new ATOM 383 N ALA A 39 20.963 -1.507 -1.970 1.00 1.26 N ATOM 384 CA ALA A 39 19.625 -2.061 -1.930 1.00 1.12 C ATOM 385 C ALA A 39 18.928 -1.698 -0.630 1.00 0.93 C ATOM 386 O ALA A 39 18.047 -2.418 -0.156 1.00 1.07 O ATOM 387 CB ALA A 39 19.678 -3.565 -2.125 1.00 1.28 C ATOM 0 H ALA A 39 21.601 -1.888 -1.271 1.00 1.26 H new ATOM 0 HA ALA A 39 19.043 -1.630 -2.745 1.00 1.12 H new ATOM 0 HB1 ALA A 39 18.667 -3.972 -2.093 1.00 1.28 H new ATOM 0 HB2 ALA A 39 20.130 -3.791 -3.091 1.00 1.28 H new ATOM 0 HB3 ALA A 39 20.275 -4.014 -1.331 1.00 1.28 H new ATOM 393 N LYS A 40 19.313 -0.564 -0.063 1.00 0.78 N ATOM 394 CA LYS A 40 18.661 -0.060 1.137 1.00 0.61 C ATOM 395 C LYS A 40 17.504 0.842 0.730 1.00 0.43 C ATOM 396 O LYS A 40 17.002 1.650 1.508 1.00 0.39 O ATOM 397 CB LYS A 40 19.642 0.684 2.039 1.00 0.71 C ATOM 398 CG LYS A 40 19.383 0.470 3.523 1.00 0.90 C ATOM 399 CD LYS A 40 19.523 -0.995 3.916 1.00 0.86 C ATOM 400 CE LYS A 40 19.254 -1.203 5.397 1.00 1.03 C ATOM 401 NZ LYS A 40 19.405 -2.628 5.801 1.00 1.93 N ATOM 0 H LYS A 40 20.071 0.023 -0.413 1.00 0.78 H new ATOM 0 HA LYS A 40 18.281 -0.904 1.713 1.00 0.61 H new ATOM 0 HB2 LYS A 40 20.656 0.360 1.805 1.00 0.71 H new ATOM 0 HB3 LYS A 40 19.589 1.750 1.819 1.00 0.71 H new ATOM 0 HG2 LYS A 40 20.082 1.071 4.104 1.00 0.90 H new ATOM 0 HG3 LYS A 40 18.381 0.819 3.771 1.00 0.90 H new ATOM 0 HD2 LYS A 40 18.828 -1.598 3.331 1.00 0.86 H new ATOM 0 HD3 LYS A 40 20.528 -1.343 3.675 1.00 0.86 H new ATOM 0 HE2 LYS A 40 19.940 -0.587 5.979 1.00 1.03 H new ATOM 0 HE3 LYS A 40 18.245 -0.865 5.632 1.00 1.03 H new ATOM 0 HZ1 LYS A 40 19.212 -2.723 6.819 1.00 1.93 H new ATOM 0 HZ2 LYS A 40 18.733 -3.214 5.265 1.00 1.93 H new ATOM 0 HZ3 LYS A 40 20.375 -2.944 5.602 1.00 1.93 H new ATOM 415 N ARG A 41 17.134 0.720 -0.528 1.00 0.39 N ATOM 416 CA ARG A 41 15.895 1.287 -1.013 1.00 0.33 C ATOM 417 C ARG A 41 14.790 0.290 -0.734 1.00 0.28 C ATOM 418 O ARG A 41 14.948 -0.909 -0.970 1.00 0.36 O ATOM 419 CB ARG A 41 15.976 1.632 -2.504 1.00 0.39 C ATOM 420 CG ARG A 41 16.538 0.518 -3.376 1.00 1.16 C ATOM 421 CD ARG A 41 17.155 1.059 -4.660 1.00 1.48 C ATOM 422 NE ARG A 41 16.274 2.001 -5.351 1.00 2.15 N ATOM 423 CZ ARG A 41 16.137 2.068 -6.676 1.00 2.71 C ATOM 424 NH1 ARG A 41 16.823 1.251 -7.463 1.00 2.69 N ATOM 425 NH2 ARG A 41 15.322 2.967 -7.211 1.00 3.64 N ATOM 0 H ARG A 41 17.679 0.229 -1.237 1.00 0.39 H new ATOM 0 HA ARG A 41 15.691 2.225 -0.498 1.00 0.33 H new ATOM 0 HB2 ARG A 41 14.978 1.888 -2.860 1.00 0.39 H new ATOM 0 HB3 ARG A 41 16.596 2.520 -2.626 1.00 0.39 H new ATOM 0 HG2 ARG A 41 17.292 -0.036 -2.816 1.00 1.16 H new ATOM 0 HG3 ARG A 41 15.743 -0.186 -3.623 1.00 1.16 H new ATOM 0 HD2 ARG A 41 18.098 1.553 -4.426 1.00 1.48 H new ATOM 0 HD3 ARG A 41 17.387 0.228 -5.326 1.00 1.48 H new ATOM 0 HE ARG A 41 15.729 2.649 -4.782 1.00 2.15 H new ATOM 0 HH11 ARG A 41 17.460 0.566 -7.056 1.00 2.69 H new ATOM 0 HH12 ARG A 41 16.714 1.307 -8.476 1.00 2.69 H new ATOM 0 HH21 ARG A 41 14.801 3.605 -6.609 1.00 3.64 H new ATOM 0 HH22 ARG A 41 15.216 3.020 -8.224 1.00 3.64 H new ATOM 439 N PHE A 42 13.679 0.777 -0.226 1.00 0.23 N ATOM 440 CA PHE A 42 12.658 -0.101 0.304 1.00 0.24 C ATOM 441 C PHE A 42 11.437 -0.086 -0.587 1.00 0.19 C ATOM 442 O PHE A 42 11.017 0.964 -1.073 1.00 0.20 O ATOM 443 CB PHE A 42 12.282 0.325 1.728 1.00 0.32 C ATOM 444 CG PHE A 42 13.471 0.631 2.600 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.509 -0.279 2.738 1.00 0.71 C ATOM 446 CD2 PHE A 42 13.550 1.833 3.281 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.600 0.008 3.540 1.00 0.79 C ATOM 448 CE2 PHE A 42 14.636 2.125 4.082 1.00 0.37 C ATOM 449 CZ PHE A 42 15.661 1.211 4.212 1.00 0.46 C ATOM 0 H PHE A 42 13.460 1.772 -0.169 1.00 0.23 H new ATOM 0 HA PHE A 42 13.053 -1.117 0.335 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.643 1.206 1.678 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.696 -0.468 2.193 1.00 0.32 H new ATOM 0 HD1 PHE A 42 14.465 -1.222 2.214 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.751 2.553 3.185 1.00 0.37 H new ATOM 0 HE1 PHE A 42 16.402 -0.709 3.639 1.00 0.79 H new ATOM 0 HE2 PHE A 42 14.683 3.068 4.606 1.00 0.37 H new ATOM 0 HZ PHE A 42 16.510 1.437 4.839 1.00 0.46 H new ATOM 459 N THR A 43 10.900 -1.263 -0.826 1.00 0.17 N ATOM 460 CA THR A 43 9.731 -1.421 -1.661 1.00 0.17 C ATOM 461 C THR A 43 8.674 -2.196 -0.893 1.00 0.17 C ATOM 462 O THR A 43 8.983 -3.209 -0.263 1.00 0.24 O ATOM 463 CB THR A 43 10.096 -2.165 -2.958 1.00 0.20 C ATOM 464 OG1 THR A 43 11.274 -1.577 -3.521 1.00 0.26 O ATOM 465 CG2 THR A 43 8.962 -2.090 -3.965 1.00 0.25 C ATOM 0 H THR A 43 11.263 -2.137 -0.446 1.00 0.17 H new ATOM 0 HA THR A 43 9.342 -0.439 -1.928 1.00 0.17 H new ATOM 0 HB THR A 43 10.275 -3.214 -2.720 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.512 -2.048 -4.347 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.245 -2.623 -4.872 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.068 -2.546 -3.540 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.758 -1.047 -4.206 1.00 0.25 H new ATOM 473 N PHE A 44 7.438 -1.727 -0.917 1.00 0.14 N ATOM 474 CA PHE A 44 6.385 -2.325 -0.125 1.00 0.12 C ATOM 475 C PHE A 44 5.089 -2.356 -0.945 1.00 0.13 C ATOM 476 O PHE A 44 4.906 -1.529 -1.842 1.00 0.16 O ATOM 477 CB PHE A 44 6.223 -1.505 1.171 1.00 0.14 C ATOM 478 CG PHE A 44 4.807 -1.215 1.547 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.019 -2.206 2.092 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.275 0.047 1.386 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.724 -1.940 2.466 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.985 0.317 1.764 1.00 0.17 C ATOM 483 CZ PHE A 44 2.176 -0.685 2.178 1.00 0.15 C ATOM 0 H PHE A 44 7.142 -0.930 -1.480 1.00 0.14 H new ATOM 0 HA PHE A 44 6.632 -3.352 0.143 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.700 -2.044 1.989 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.756 -0.561 1.058 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.423 -3.199 2.226 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.881 0.831 0.957 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.137 -2.690 2.976 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.614 1.331 1.731 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.114 -0.518 2.286 1.00 0.15 H new ATOM 493 N GLY A 45 4.207 -3.309 -0.653 1.00 0.13 N ATOM 494 CA GLY A 45 2.938 -3.391 -1.359 1.00 0.17 C ATOM 495 C GLY A 45 1.753 -3.411 -0.412 1.00 0.15 C ATOM 496 O GLY A 45 1.795 -4.082 0.620 1.00 0.15 O ATOM 0 H GLY A 45 4.348 -4.026 0.059 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.845 -2.541 -2.035 1.00 0.17 H new ATOM 0 HA3 GLY A 45 2.924 -4.291 -1.974 1.00 0.17 H new ATOM 500 N VAL A 46 0.681 -2.706 -0.770 1.00 0.15 N ATOM 501 CA VAL A 46 -0.492 -2.588 0.096 1.00 0.15 C ATOM 502 C VAL A 46 -1.638 -3.405 -0.472 1.00 0.14 C ATOM 503 O VAL A 46 -1.678 -3.664 -1.676 1.00 0.19 O ATOM 504 CB VAL A 46 -1.009 -1.136 0.196 1.00 0.23 C ATOM 505 CG1 VAL A 46 -1.545 -0.853 1.587 1.00 0.80 C ATOM 506 CG2 VAL A 46 0.051 -0.129 -0.202 1.00 0.76 C ATOM 0 H VAL A 46 0.600 -2.207 -1.656 1.00 0.15 H new ATOM 0 HA VAL A 46 -0.178 -2.938 1.079 1.00 0.15 H new ATOM 0 HB VAL A 46 -1.829 -1.029 -0.514 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -1.904 0.175 1.636 1.00 0.80 H new ATOM 0 HG12 VAL A 46 -2.366 -1.535 1.806 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -0.750 -0.995 2.319 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -0.355 0.879 -0.117 1.00 0.76 H new ATOM 0 HG22 VAL A 46 0.914 -0.229 0.456 1.00 0.76 H new ATOM 0 HG23 VAL A 46 0.358 -0.311 -1.232 1.00 0.76 H new ATOM 516 N ARG A 47 -2.570 -3.805 0.376 1.00 0.15 N ATOM 517 CA ARG A 47 -3.792 -4.448 -0.072 1.00 0.18 C ATOM 518 C ARG A 47 -4.923 -4.046 0.867 1.00 0.15 C ATOM 519 O ARG A 47 -4.685 -3.778 2.047 1.00 0.19 O ATOM 520 CB ARG A 47 -3.632 -5.977 -0.117 1.00 0.33 C ATOM 521 CG ARG A 47 -3.014 -6.574 1.133 1.00 0.66 C ATOM 522 CD ARG A 47 -2.723 -8.058 0.967 1.00 1.02 C ATOM 523 NE ARG A 47 -1.714 -8.318 -0.061 1.00 1.43 N ATOM 524 CZ ARG A 47 -1.763 -9.342 -0.914 1.00 1.85 C ATOM 525 NH1 ARG A 47 -2.770 -10.206 -0.856 1.00 1.99 N ATOM 526 NH2 ARG A 47 -0.795 -9.516 -1.804 1.00 2.62 N ATOM 0 H ARG A 47 -2.502 -3.694 1.388 1.00 0.15 H new ATOM 0 HA ARG A 47 -4.023 -4.122 -1.086 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.611 -6.429 -0.276 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -3.015 -6.242 -0.976 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -2.090 -6.047 1.369 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.688 -6.428 1.977 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -2.382 -8.467 1.918 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -3.644 -8.579 0.708 1.00 1.02 H new ATOM 0 HE ARG A 47 -0.924 -7.676 -0.129 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -3.505 -10.086 -0.159 1.00 1.99 H new ATOM 0 HH12 ARG A 47 -2.808 -10.989 -1.508 1.00 1.99 H new ATOM 0 HH21 ARG A 47 -0.010 -8.866 -1.837 1.00 2.62 H new ATOM 0 HH22 ARG A 47 -0.836 -10.300 -2.455 1.00 2.62 H new ATOM 540 N VAL A 48 -6.132 -3.970 0.338 1.00 0.13 N ATOM 541 CA VAL A 48 -7.300 -3.608 1.138 1.00 0.13 C ATOM 542 C VAL A 48 -8.374 -4.690 1.042 1.00 0.12 C ATOM 543 O VAL A 48 -8.452 -5.406 0.045 1.00 0.13 O ATOM 544 CB VAL A 48 -7.880 -2.252 0.676 1.00 0.15 C ATOM 545 CG1 VAL A 48 -9.149 -1.899 1.434 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.854 -1.147 0.845 1.00 0.22 C ATOM 0 H VAL A 48 -6.336 -4.154 -0.644 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.981 -3.518 2.176 1.00 0.13 H new ATOM 0 HB VAL A 48 -8.131 -2.349 -0.380 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.528 -0.939 1.082 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.901 -2.670 1.264 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.930 -1.834 2.500 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -7.281 -0.200 0.514 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.571 -1.071 1.895 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.972 -1.375 0.247 1.00 0.22 H new ATOM 556 N ASN A 49 -9.194 -4.808 2.081 1.00 0.13 N ATOM 557 CA ASN A 49 -10.249 -5.812 2.117 1.00 0.15 C ATOM 558 C ASN A 49 -11.565 -5.213 1.628 1.00 0.16 C ATOM 559 O ASN A 49 -12.353 -4.669 2.397 1.00 0.18 O ATOM 560 CB ASN A 49 -10.406 -6.376 3.533 1.00 0.20 C ATOM 561 CG ASN A 49 -11.498 -7.430 3.633 1.00 0.66 C ATOM 562 OD1 ASN A 49 -12.650 -7.121 3.936 1.00 1.59 O ATOM 563 ND2 ASN A 49 -11.147 -8.680 3.381 1.00 1.21 N ATOM 0 H ASN A 49 -9.147 -4.218 2.912 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.973 -6.631 1.453 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.459 -6.810 3.853 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.631 -5.561 4.220 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -11.841 -9.425 3.435 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -10.182 -8.899 3.133 1.00 1.21 H new ATOM 570 N THR A 50 -11.753 -5.301 0.331 1.00 0.17 N ATOM 571 CA THR A 50 -12.988 -4.834 -0.283 1.00 0.21 C ATOM 572 C THR A 50 -14.128 -5.786 0.072 1.00 0.25 C ATOM 573 O THR A 50 -14.127 -6.951 -0.316 1.00 0.33 O ATOM 574 CB THR A 50 -12.877 -4.648 -1.809 1.00 0.27 C ATOM 575 OG1 THR A 50 -12.383 -5.834 -2.432 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.964 -3.480 -2.141 1.00 0.29 C ATOM 0 H THR A 50 -11.073 -5.689 -0.322 1.00 0.17 H new ATOM 0 HA THR A 50 -13.197 -3.843 0.121 1.00 0.21 H new ATOM 0 HB THR A 50 -13.876 -4.440 -2.192 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.458 -5.991 -2.149 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.899 -3.365 -3.223 1.00 0.29 H new ATOM 0 HG22 THR A 50 -12.367 -2.567 -1.703 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.970 -3.669 -1.736 1.00 0.29 H new ATOM 584 N SER A 51 -15.076 -5.281 0.850 1.00 0.25 N ATOM 585 CA SER A 51 -16.162 -6.085 1.413 1.00 0.30 C ATOM 586 C SER A 51 -16.908 -6.905 0.355 1.00 0.33 C ATOM 587 O SER A 51 -17.484 -7.946 0.672 1.00 0.42 O ATOM 588 CB SER A 51 -17.143 -5.167 2.149 1.00 0.35 C ATOM 589 OG SER A 51 -18.146 -5.902 2.833 1.00 1.32 O ATOM 0 H SER A 51 -15.117 -4.296 1.112 1.00 0.25 H new ATOM 0 HA SER A 51 -15.714 -6.798 2.105 1.00 0.30 H new ATOM 0 HB2 SER A 51 -16.597 -4.549 2.862 1.00 0.35 H new ATOM 0 HB3 SER A 51 -17.612 -4.491 1.435 1.00 0.35 H new ATOM 0 HG SER A 51 -18.751 -5.282 3.291 1.00 1.32 H new ATOM 595 N ASP A 52 -16.886 -6.458 -0.891 1.00 0.33 N ATOM 596 CA ASP A 52 -17.643 -7.135 -1.935 1.00 0.41 C ATOM 597 C ASP A 52 -16.731 -7.784 -2.974 1.00 0.31 C ATOM 598 O ASP A 52 -17.197 -8.212 -4.033 1.00 0.37 O ATOM 599 CB ASP A 52 -18.609 -6.160 -2.616 1.00 0.64 C ATOM 600 CG ASP A 52 -17.925 -5.211 -3.583 1.00 0.82 C ATOM 601 OD1 ASP A 52 -17.237 -4.277 -3.115 1.00 0.85 O ATOM 602 OD2 ASP A 52 -18.049 -5.408 -4.810 1.00 1.30 O ATOM 0 H ASP A 52 -16.360 -5.641 -1.202 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.215 -7.930 -1.456 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -19.369 -6.728 -3.152 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -19.126 -5.579 -1.852 1.00 0.64 H new ATOM 607 N ARG A 53 -15.436 -7.874 -2.685 1.00 0.28 N ATOM 608 CA ARG A 53 -14.499 -8.475 -3.631 1.00 0.28 C ATOM 609 C ARG A 53 -13.372 -9.209 -2.893 1.00 0.24 C ATOM 610 O ARG A 53 -13.083 -10.374 -3.175 1.00 0.29 O ATOM 611 CB ARG A 53 -13.938 -7.383 -4.540 1.00 0.42 C ATOM 612 CG ARG A 53 -13.199 -7.887 -5.760 1.00 1.14 C ATOM 613 CD ARG A 53 -12.747 -6.715 -6.611 1.00 1.45 C ATOM 614 NE ARG A 53 -13.883 -5.893 -7.036 1.00 2.15 N ATOM 615 CZ ARG A 53 -13.973 -4.574 -6.845 1.00 2.81 C ATOM 616 NH1 ARG A 53 -12.969 -3.899 -6.302 1.00 3.05 N ATOM 617 NH2 ARG A 53 -15.066 -3.924 -7.218 1.00 3.68 N ATOM 0 H ARG A 53 -15.015 -7.544 -1.817 1.00 0.28 H new ATOM 0 HA ARG A 53 -15.023 -9.213 -4.239 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -14.760 -6.746 -4.868 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -13.263 -6.757 -3.957 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -12.337 -8.480 -5.454 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -13.846 -8.543 -6.343 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -12.044 -6.103 -6.046 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -12.215 -7.084 -7.488 1.00 1.45 H new ATOM 0 HE ARG A 53 -14.657 -6.359 -7.509 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -12.117 -4.387 -6.025 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -13.049 -2.892 -6.161 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -15.838 -4.431 -7.651 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -15.135 -2.917 -7.072 1.00 3.68 H new ATOM 631 N GLY A 54 -12.754 -8.524 -1.940 1.00 0.18 N ATOM 632 CA GLY A 54 -11.733 -9.132 -1.109 1.00 0.19 C ATOM 633 C GLY A 54 -10.424 -8.374 -1.130 1.00 0.17 C ATOM 634 O GLY A 54 -10.390 -7.195 -1.481 1.00 0.17 O ATOM 0 H GLY A 54 -12.945 -7.545 -1.726 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.096 -9.191 -0.083 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.560 -10.154 -1.445 1.00 0.19 H new ATOM 638 N TRP A 55 -9.360 -9.042 -0.702 1.00 0.18 N ATOM 639 CA TRP A 55 -8.022 -8.471 -0.770 1.00 0.18 C ATOM 640 C TRP A 55 -7.714 -7.981 -2.182 1.00 0.19 C ATOM 641 O TRP A 55 -7.710 -8.757 -3.138 1.00 0.24 O ATOM 642 CB TRP A 55 -6.968 -9.487 -0.317 1.00 0.24 C ATOM 643 CG TRP A 55 -6.763 -9.526 1.173 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.854 -10.615 1.990 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.434 -8.418 2.021 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.587 -10.252 3.290 1.00 0.39 N ATOM 647 CE2 TRP A 55 -6.332 -8.908 3.333 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.213 -7.063 1.800 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -6.016 -8.083 4.411 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.904 -6.251 2.870 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.807 -6.758 4.158 1.00 0.27 C ATOM 0 H TRP A 55 -9.398 -9.980 -0.304 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.988 -7.618 -0.092 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.262 -10.479 -0.660 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.019 -9.251 -0.799 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -7.100 -11.615 1.664 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.580 -10.882 4.092 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.283 -6.652 0.803 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.939 -8.479 5.413 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.734 -5.198 2.702 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.562 -6.094 4.973 1.00 0.27 H new ATOM 662 N THR A 56 -7.484 -6.681 -2.294 1.00 0.18 N ATOM 663 CA THR A 56 -7.242 -6.036 -3.578 1.00 0.22 C ATOM 664 C THR A 56 -5.885 -6.411 -4.160 1.00 0.26 C ATOM 665 O THR A 56 -5.118 -7.170 -3.558 1.00 0.36 O ATOM 666 CB THR A 56 -7.314 -4.504 -3.446 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.397 -4.053 -2.437 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.722 -4.054 -3.097 1.00 0.24 C ATOM 0 H THR A 56 -7.460 -6.043 -1.498 1.00 0.18 H new ATOM 0 HA THR A 56 -8.023 -6.389 -4.252 1.00 0.22 H new ATOM 0 HB THR A 56 -7.040 -4.067 -4.406 1.00 0.22 H new ATOM 0 HG1 THR A 56 -6.448 -3.077 -2.361 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.746 -2.968 -3.010 1.00 0.24 H new ATOM 0 HG22 THR A 56 -9.410 -4.370 -3.881 1.00 0.24 H new ATOM 0 HG23 THR A 56 -9.022 -4.501 -2.149 1.00 0.24 H new ATOM 676 N ASP A 57 -5.604 -5.880 -5.339 1.00 0.30 N ATOM 677 CA ASP A 57 -4.303 -6.055 -5.963 1.00 0.34 C ATOM 678 C ASP A 57 -3.236 -5.400 -5.111 1.00 0.23 C ATOM 679 O ASP A 57 -3.415 -4.278 -4.628 1.00 0.35 O ATOM 680 CB ASP A 57 -4.271 -5.442 -7.365 1.00 0.49 C ATOM 681 CG ASP A 57 -5.217 -6.121 -8.331 1.00 0.93 C ATOM 682 OD1 ASP A 57 -4.844 -7.169 -8.894 1.00 1.84 O ATOM 683 OD2 ASP A 57 -6.339 -5.610 -8.525 1.00 0.98 O ATOM 0 H ASP A 57 -6.262 -5.323 -5.884 1.00 0.30 H new ATOM 0 HA ASP A 57 -4.113 -7.125 -6.048 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -4.526 -4.384 -7.299 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -3.256 -5.501 -7.758 1.00 0.49 H new ATOM 688 N GLU A 58 -2.141 -6.107 -4.915 1.00 0.27 N ATOM 689 CA GLU A 58 -1.043 -5.594 -4.130 1.00 0.27 C ATOM 690 C GLU A 58 -0.421 -4.398 -4.821 1.00 0.23 C ATOM 691 O GLU A 58 0.163 -4.512 -5.903 1.00 0.28 O ATOM 692 CB GLU A 58 0.001 -6.670 -3.907 1.00 0.42 C ATOM 693 CG GLU A 58 1.053 -6.309 -2.873 1.00 0.44 C ATOM 694 CD GLU A 58 1.980 -7.466 -2.576 1.00 0.67 C ATOM 695 OE1 GLU A 58 1.628 -8.322 -1.741 1.00 1.00 O ATOM 696 OE2 GLU A 58 3.079 -7.515 -3.167 1.00 0.83 O ATOM 0 H GLU A 58 -1.990 -7.043 -5.292 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.429 -5.280 -3.160 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.499 -7.587 -3.596 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.496 -6.883 -4.854 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.636 -5.461 -3.231 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.562 -5.993 -1.952 1.00 0.44 H new ATOM 703 N CYS A 59 -0.567 -3.260 -4.193 1.00 0.19 N ATOM 704 CA CYS A 59 -0.065 -2.017 -4.738 1.00 0.20 C ATOM 705 C CYS A 59 1.367 -1.799 -4.289 1.00 0.17 C ATOM 706 O CYS A 59 1.617 -1.332 -3.179 1.00 0.17 O ATOM 707 CB CYS A 59 -0.949 -0.850 -4.298 1.00 0.27 C ATOM 708 SG CYS A 59 -2.685 -1.041 -4.763 1.00 0.36 S ATOM 0 H CYS A 59 -1.035 -3.165 -3.292 1.00 0.19 H new ATOM 0 HA CYS A 59 -0.087 -2.072 -5.826 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -0.881 -0.742 -3.215 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.564 0.071 -4.735 1.00 0.27 H new ATOM 0 HG CYS A 59 -3.020 -2.295 -4.683 1.00 0.36 H new ATOM 714 N ILE A 60 2.294 -2.161 -5.155 1.00 0.18 N ATOM 715 CA ILE A 60 3.706 -2.013 -4.885 1.00 0.16 C ATOM 716 C ILE A 60 4.145 -0.586 -5.171 1.00 0.16 C ATOM 717 O ILE A 60 3.968 -0.087 -6.285 1.00 0.18 O ATOM 718 CB ILE A 60 4.525 -2.989 -5.757 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.247 -4.436 -5.359 1.00 0.44 C ATOM 720 CG2 ILE A 60 6.010 -2.687 -5.669 1.00 0.27 C ATOM 721 CD1 ILE A 60 4.791 -4.797 -4.003 1.00 0.74 C ATOM 0 H ILE A 60 2.086 -2.567 -6.067 1.00 0.18 H new ATOM 0 HA ILE A 60 3.882 -2.241 -3.834 1.00 0.16 H new ATOM 0 HB ILE A 60 4.214 -2.852 -6.793 1.00 0.21 H new ATOM 0 HG12 ILE A 60 3.171 -4.607 -5.368 1.00 0.44 H new ATOM 0 HG13 ILE A 60 4.682 -5.101 -6.106 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.562 -3.390 -6.293 1.00 0.27 H new ATOM 0 HG22 ILE A 60 6.196 -1.671 -6.016 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.340 -2.783 -4.635 1.00 0.27 H new ATOM 0 HD11 ILE A 60 4.558 -5.839 -3.783 1.00 0.74 H new ATOM 0 HD12 ILE A 60 5.872 -4.657 -3.996 1.00 0.74 H new ATOM 0 HD13 ILE A 60 4.337 -4.157 -3.247 1.00 0.74 H new ATOM 733 N GLY A 61 4.709 0.058 -4.164 1.00 0.16 N ATOM 734 CA GLY A 61 5.173 1.417 -4.318 1.00 0.20 C ATOM 735 C GLY A 61 6.551 1.479 -4.932 1.00 0.21 C ATOM 736 O GLY A 61 7.098 0.461 -5.364 1.00 0.23 O ATOM 0 H GLY A 61 4.854 -0.340 -3.236 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.472 1.970 -4.943 1.00 0.20 H new ATOM 0 HA3 GLY A 61 5.188 1.907 -3.345 1.00 0.20 H new ATOM 740 N GLU A 62 7.121 2.667 -4.959 1.00 0.27 N ATOM 741 CA GLU A 62 8.436 2.867 -5.536 1.00 0.31 C ATOM 742 C GLU A 62 9.507 2.593 -4.494 1.00 0.25 C ATOM 743 O GLU A 62 9.263 2.735 -3.298 1.00 0.29 O ATOM 744 CB GLU A 62 8.561 4.298 -6.051 1.00 0.47 C ATOM 745 CG GLU A 62 7.514 4.652 -7.090 1.00 0.79 C ATOM 746 CD GLU A 62 7.705 6.036 -7.664 1.00 1.07 C ATOM 747 OE1 GLU A 62 8.445 6.174 -8.658 1.00 1.37 O ATOM 748 OE2 GLU A 62 7.119 6.995 -7.122 1.00 1.32 O ATOM 0 H GLU A 62 6.691 3.513 -4.586 1.00 0.27 H new ATOM 0 HA GLU A 62 8.570 2.176 -6.368 1.00 0.31 H new ATOM 0 HB2 GLU A 62 8.478 4.988 -5.211 1.00 0.47 H new ATOM 0 HB3 GLU A 62 9.553 4.437 -6.482 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.548 3.921 -7.898 1.00 0.79 H new ATOM 0 HG3 GLU A 62 6.524 4.584 -6.640 1.00 0.79 H new ATOM 755 N PRO A 63 10.694 2.150 -4.934 1.00 0.24 N ATOM 756 CA PRO A 63 11.848 1.996 -4.051 1.00 0.24 C ATOM 757 C PRO A 63 12.193 3.317 -3.375 1.00 0.21 C ATOM 758 O PRO A 63 12.611 4.270 -4.032 1.00 0.24 O ATOM 759 CB PRO A 63 12.975 1.564 -4.993 1.00 0.32 C ATOM 760 CG PRO A 63 12.290 1.001 -6.190 1.00 0.51 C ATOM 761 CD PRO A 63 10.994 1.751 -6.319 1.00 0.30 C ATOM 0 HA PRO A 63 11.669 1.281 -3.248 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.608 2.409 -5.263 1.00 0.32 H new ATOM 0 HB3 PRO A 63 13.619 0.821 -4.522 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.902 1.124 -7.083 1.00 0.51 H new ATOM 0 HG3 PRO A 63 12.112 -0.068 -6.071 1.00 0.51 H new ATOM 0 HD2 PRO A 63 11.094 2.616 -6.974 1.00 0.30 H new ATOM 0 HD3 PRO A 63 10.206 1.124 -6.737 1.00 0.30 H new ATOM 769 N MET A 64 12.004 3.375 -2.070 1.00 0.19 N ATOM 770 CA MET A 64 12.165 4.612 -1.326 1.00 0.20 C ATOM 771 C MET A 64 13.318 4.492 -0.345 1.00 0.21 C ATOM 772 O MET A 64 13.518 3.438 0.252 1.00 0.26 O ATOM 773 CB MET A 64 10.879 4.950 -0.577 1.00 0.24 C ATOM 774 CG MET A 64 9.676 5.118 -1.489 1.00 0.32 C ATOM 775 SD MET A 64 9.918 6.379 -2.752 1.00 0.62 S ATOM 776 CE MET A 64 9.988 7.852 -1.740 1.00 0.67 C ATOM 0 H MET A 64 11.737 2.573 -1.499 1.00 0.19 H new ATOM 0 HA MET A 64 12.384 5.413 -2.032 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.670 4.161 0.146 1.00 0.24 H new ATOM 0 HB3 MET A 64 11.028 5.870 -0.011 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.458 4.166 -1.972 1.00 0.32 H new ATOM 0 HG3 MET A 64 8.805 5.377 -0.887 1.00 0.32 H new ATOM 0 HE1 MET A 64 9.376 8.633 -2.192 1.00 0.67 H new ATOM 0 HE2 MET A 64 9.611 7.626 -0.743 1.00 0.67 H new ATOM 0 HE3 MET A 64 11.020 8.195 -1.668 1.00 0.67 H new ATOM 786 N PRO A 65 14.088 5.570 -0.164 1.00 0.23 N ATOM 787 CA PRO A 65 15.253 5.569 0.723 1.00 0.26 C ATOM 788 C PRO A 65 14.896 5.682 2.210 1.00 0.25 C ATOM 789 O PRO A 65 15.763 5.959 3.040 1.00 0.27 O ATOM 790 CB PRO A 65 16.031 6.801 0.263 1.00 0.31 C ATOM 791 CG PRO A 65 14.990 7.732 -0.251 1.00 0.32 C ATOM 792 CD PRO A 65 13.905 6.871 -0.837 1.00 0.29 C ATOM 0 HA PRO A 65 15.806 4.632 0.656 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.590 7.247 1.086 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.753 6.547 -0.513 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.599 8.358 0.551 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.405 8.401 -1.005 1.00 0.32 H new ATOM 0 HD2 PRO A 65 12.916 7.286 -0.643 1.00 0.29 H new ATOM 0 HD3 PRO A 65 14.006 6.780 -1.918 1.00 0.29 H new ATOM 800 N SER A 66 13.626 5.473 2.549 1.00 0.23 N ATOM 801 CA SER A 66 13.188 5.484 3.937 1.00 0.24 C ATOM 802 C SER A 66 11.885 4.696 4.071 1.00 0.22 C ATOM 803 O SER A 66 11.027 4.740 3.185 1.00 0.20 O ATOM 804 CB SER A 66 12.997 6.925 4.424 1.00 0.29 C ATOM 805 OG SER A 66 12.416 6.958 5.716 1.00 1.30 O ATOM 0 H SER A 66 12.881 5.293 1.876 1.00 0.23 H new ATOM 0 HA SER A 66 13.952 5.013 4.556 1.00 0.24 H new ATOM 0 HB2 SER A 66 13.960 7.436 4.443 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.362 7.467 3.723 1.00 0.29 H new ATOM 0 HG SER A 66 12.307 7.889 6.002 1.00 1.30 H new ATOM 811 N VAL A 67 11.750 3.982 5.185 1.00 0.25 N ATOM 812 CA VAL A 67 10.622 3.076 5.399 1.00 0.26 C ATOM 813 C VAL A 67 9.324 3.839 5.634 1.00 0.25 C ATOM 814 O VAL A 67 8.233 3.300 5.442 1.00 0.29 O ATOM 815 CB VAL A 67 10.867 2.126 6.592 1.00 0.37 C ATOM 816 CG1 VAL A 67 12.108 1.286 6.363 1.00 1.14 C ATOM 817 CG2 VAL A 67 10.982 2.899 7.897 1.00 1.08 C ATOM 0 H VAL A 67 12.413 4.013 5.960 1.00 0.25 H new ATOM 0 HA VAL A 67 10.531 2.486 4.487 1.00 0.26 H new ATOM 0 HB VAL A 67 10.007 1.461 6.669 1.00 0.37 H new ATOM 0 HG11 VAL A 67 12.262 0.624 7.215 1.00 1.14 H new ATOM 0 HG12 VAL A 67 11.982 0.690 5.459 1.00 1.14 H new ATOM 0 HG13 VAL A 67 12.973 1.939 6.250 1.00 1.14 H new ATOM 0 HG21 VAL A 67 11.154 2.203 8.718 1.00 1.08 H new ATOM 0 HG22 VAL A 67 11.816 3.598 7.833 1.00 1.08 H new ATOM 0 HG23 VAL A 67 10.059 3.450 8.076 1.00 1.08 H new ATOM 827 N LYS A 68 9.450 5.086 6.062 1.00 0.29 N ATOM 828 CA LYS A 68 8.291 5.908 6.372 1.00 0.32 C ATOM 829 C LYS A 68 7.595 6.349 5.092 1.00 0.30 C ATOM 830 O LYS A 68 6.381 6.206 4.948 1.00 0.33 O ATOM 831 CB LYS A 68 8.719 7.127 7.190 1.00 0.41 C ATOM 832 CG LYS A 68 9.417 6.764 8.490 1.00 1.12 C ATOM 833 CD LYS A 68 9.952 7.995 9.200 1.00 1.56 C ATOM 834 CE LYS A 68 10.653 7.623 10.494 1.00 2.37 C ATOM 835 NZ LYS A 68 11.261 8.804 11.159 1.00 2.82 N ATOM 0 H LYS A 68 10.346 5.552 6.203 1.00 0.29 H new ATOM 0 HA LYS A 68 7.589 5.317 6.960 1.00 0.32 H new ATOM 0 HB2 LYS A 68 9.386 7.744 6.588 1.00 0.41 H new ATOM 0 HB3 LYS A 68 7.841 7.732 7.414 1.00 0.41 H new ATOM 0 HG2 LYS A 68 8.720 6.240 9.144 1.00 1.12 H new ATOM 0 HG3 LYS A 68 10.238 6.077 8.283 1.00 1.12 H new ATOM 0 HD2 LYS A 68 10.647 8.522 8.546 1.00 1.56 H new ATOM 0 HD3 LYS A 68 9.132 8.681 9.412 1.00 1.56 H new ATOM 0 HE2 LYS A 68 9.939 7.154 11.171 1.00 2.37 H new ATOM 0 HE3 LYS A 68 11.428 6.885 10.287 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 11.729 8.505 12.038 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 11.962 9.237 10.524 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 10.519 9.498 11.381 1.00 2.82 H new ATOM 849 N LYS A 69 8.383 6.834 4.143 1.00 0.29 N ATOM 850 CA LYS A 69 7.846 7.329 2.885 1.00 0.32 C ATOM 851 C LYS A 69 7.564 6.177 1.927 1.00 0.24 C ATOM 852 O LYS A 69 6.840 6.340 0.943 1.00 0.24 O ATOM 853 CB LYS A 69 8.774 8.366 2.248 1.00 0.47 C ATOM 854 CG LYS A 69 10.227 7.942 2.182 1.00 0.57 C ATOM 855 CD LYS A 69 11.086 8.990 1.482 1.00 0.45 C ATOM 856 CE LYS A 69 11.083 10.319 2.226 1.00 0.90 C ATOM 857 NZ LYS A 69 11.739 11.398 1.444 1.00 1.36 N ATOM 0 H LYS A 69 9.398 6.895 4.221 1.00 0.29 H new ATOM 0 HA LYS A 69 6.901 7.829 3.100 1.00 0.32 H new ATOM 0 HB2 LYS A 69 8.423 8.579 1.238 1.00 0.47 H new ATOM 0 HB3 LYS A 69 8.704 9.296 2.813 1.00 0.47 H new ATOM 0 HG2 LYS A 69 10.604 7.776 3.191 1.00 0.57 H new ATOM 0 HG3 LYS A 69 10.306 6.993 1.652 1.00 0.57 H new ATOM 0 HD2 LYS A 69 12.109 8.623 1.399 1.00 0.45 H new ATOM 0 HD3 LYS A 69 10.718 9.142 0.467 1.00 0.45 H new ATOM 0 HE2 LYS A 69 10.056 10.607 2.449 1.00 0.90 H new ATOM 0 HE3 LYS A 69 11.595 10.201 3.181 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 11.715 12.284 1.987 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 12.727 11.136 1.253 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 11.235 11.530 0.544 1.00 1.36 H new ATOM 871 N ALA A 70 8.147 5.014 2.214 1.00 0.21 N ATOM 872 CA ALA A 70 7.874 3.810 1.442 1.00 0.19 C ATOM 873 C ALA A 70 6.385 3.485 1.470 1.00 0.16 C ATOM 874 O ALA A 70 5.748 3.363 0.420 1.00 0.17 O ATOM 875 CB ALA A 70 8.685 2.640 1.979 1.00 0.21 C ATOM 0 H ALA A 70 8.811 4.883 2.977 1.00 0.21 H new ATOM 0 HA ALA A 70 8.168 3.988 0.408 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.470 1.748 1.391 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.748 2.872 1.910 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.419 2.461 3.021 1.00 0.21 H new ATOM 881 N LYS A 71 5.835 3.340 2.681 1.00 0.15 N ATOM 882 CA LYS A 71 4.409 3.094 2.868 1.00 0.17 C ATOM 883 C LYS A 71 3.577 4.160 2.161 1.00 0.16 C ATOM 884 O LYS A 71 2.622 3.838 1.452 1.00 0.17 O ATOM 885 CB LYS A 71 4.062 3.072 4.359 1.00 0.29 C ATOM 886 CG LYS A 71 4.898 2.091 5.166 1.00 0.92 C ATOM 887 CD LYS A 71 4.425 2.015 6.608 1.00 1.29 C ATOM 888 CE LYS A 71 5.382 1.207 7.471 1.00 1.99 C ATOM 889 NZ LYS A 71 6.722 1.849 7.579 1.00 2.42 N ATOM 0 H LYS A 71 6.366 3.390 3.551 1.00 0.15 H new ATOM 0 HA LYS A 71 4.175 2.123 2.432 1.00 0.17 H new ATOM 0 HB2 LYS A 71 4.196 4.073 4.769 1.00 0.29 H new ATOM 0 HB3 LYS A 71 3.008 2.818 4.474 1.00 0.29 H new ATOM 0 HG2 LYS A 71 4.842 1.102 4.711 1.00 0.92 H new ATOM 0 HG3 LYS A 71 5.944 2.395 5.140 1.00 0.92 H new ATOM 0 HD2 LYS A 71 4.331 3.022 7.014 1.00 1.29 H new ATOM 0 HD3 LYS A 71 3.434 1.563 6.643 1.00 1.29 H new ATOM 0 HE2 LYS A 71 4.957 1.088 8.468 1.00 1.99 H new ATOM 0 HE3 LYS A 71 5.493 0.208 7.050 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 7.313 1.309 8.243 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 7.176 1.863 6.644 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 6.613 2.823 7.926 1.00 2.42 H new ATOM 903 N ASP A 72 3.951 5.422 2.363 1.00 0.19 N ATOM 904 CA ASP A 72 3.264 6.544 1.723 1.00 0.24 C ATOM 905 C ASP A 72 3.154 6.356 0.216 1.00 0.22 C ATOM 906 O ASP A 72 2.070 6.497 -0.347 1.00 0.23 O ATOM 907 CB ASP A 72 3.973 7.871 2.008 1.00 0.32 C ATOM 908 CG ASP A 72 3.751 8.377 3.417 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.621 8.792 3.730 1.00 0.99 O ATOM 910 OD2 ASP A 72 4.701 8.338 4.231 1.00 2.01 O ATOM 0 H ASP A 72 4.727 5.694 2.966 1.00 0.19 H new ATOM 0 HA ASP A 72 2.261 6.572 2.150 1.00 0.24 H new ATOM 0 HB2 ASP A 72 5.043 7.748 1.838 1.00 0.32 H new ATOM 0 HB3 ASP A 72 3.622 8.622 1.300 1.00 0.32 H new ATOM 915 N SER A 73 4.268 6.027 -0.432 1.00 0.21 N ATOM 916 CA SER A 73 4.305 5.913 -1.885 1.00 0.24 C ATOM 917 C SER A 73 3.327 4.851 -2.390 1.00 0.20 C ATOM 918 O SER A 73 2.567 5.094 -3.331 1.00 0.24 O ATOM 919 CB SER A 73 5.734 5.591 -2.342 1.00 0.30 C ATOM 920 OG SER A 73 5.839 5.588 -3.757 1.00 1.14 O ATOM 0 H SER A 73 5.158 5.835 0.028 1.00 0.21 H new ATOM 0 HA SER A 73 3.997 6.868 -2.311 1.00 0.24 H new ATOM 0 HB2 SER A 73 6.424 6.325 -1.926 1.00 0.30 H new ATOM 0 HB3 SER A 73 6.031 4.618 -1.952 1.00 0.30 H new ATOM 0 HG SER A 73 6.777 5.702 -4.016 1.00 1.14 H new ATOM 926 N ALA A 74 3.336 3.685 -1.758 1.00 0.16 N ATOM 927 CA ALA A 74 2.459 2.598 -2.176 1.00 0.17 C ATOM 928 C ALA A 74 0.998 2.964 -1.931 1.00 0.16 C ATOM 929 O ALA A 74 0.127 2.703 -2.762 1.00 0.17 O ATOM 930 CB ALA A 74 2.814 1.321 -1.440 1.00 0.18 C ATOM 0 H ALA A 74 3.935 3.468 -0.961 1.00 0.16 H new ATOM 0 HA ALA A 74 2.598 2.434 -3.245 1.00 0.17 H new ATOM 0 HB1 ALA A 74 2.151 0.519 -1.763 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.846 1.049 -1.660 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.701 1.476 -0.367 1.00 0.18 H new ATOM 936 N ALA A 75 0.753 3.572 -0.775 1.00 0.18 N ATOM 937 CA ALA A 75 -0.571 4.049 -0.400 1.00 0.21 C ATOM 938 C ALA A 75 -1.165 4.958 -1.476 1.00 0.21 C ATOM 939 O ALA A 75 -2.355 4.881 -1.757 1.00 0.24 O ATOM 940 CB ALA A 75 -0.510 4.778 0.931 1.00 0.26 C ATOM 0 H ALA A 75 1.470 3.748 -0.071 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.223 3.181 -0.301 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.506 5.129 1.199 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.145 4.099 1.701 1.00 0.26 H new ATOM 0 HB3 ALA A 75 0.165 5.630 0.849 1.00 0.26 H new ATOM 946 N VAL A 76 -0.336 5.800 -2.101 1.00 0.21 N ATOM 947 CA VAL A 76 -0.811 6.729 -3.129 1.00 0.25 C ATOM 948 C VAL A 76 -1.372 5.967 -4.330 1.00 0.20 C ATOM 949 O VAL A 76 -2.370 6.375 -4.929 1.00 0.21 O ATOM 950 CB VAL A 76 0.316 7.675 -3.609 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.195 8.643 -4.666 1.00 0.77 C ATOM 952 CG2 VAL A 76 0.913 8.437 -2.439 1.00 0.83 C ATOM 0 H VAL A 76 0.665 5.857 -1.913 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.600 7.329 -2.676 1.00 0.25 H new ATOM 0 HB VAL A 76 1.097 7.062 -4.058 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.618 9.296 -4.985 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.568 8.082 -5.523 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -1.001 9.246 -4.248 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.703 9.096 -2.799 1.00 0.83 H new ATOM 0 HG22 VAL A 76 0.136 9.031 -1.957 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.329 7.732 -1.719 1.00 0.83 H new ATOM 962 N LEU A 77 -0.743 4.845 -4.657 1.00 0.19 N ATOM 963 CA LEU A 77 -1.179 4.011 -5.767 1.00 0.21 C ATOM 964 C LEU A 77 -2.437 3.252 -5.367 1.00 0.22 C ATOM 965 O LEU A 77 -3.316 2.980 -6.183 1.00 0.28 O ATOM 966 CB LEU A 77 -0.075 3.025 -6.146 1.00 0.26 C ATOM 967 CG LEU A 77 1.250 3.658 -6.566 1.00 0.32 C ATOM 968 CD1 LEU A 77 2.299 2.586 -6.807 1.00 0.39 C ATOM 969 CD2 LEU A 77 1.066 4.507 -7.814 1.00 0.39 C ATOM 0 H LEU A 77 0.077 4.491 -4.164 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.396 4.643 -6.628 1.00 0.21 H new ATOM 0 HB2 LEU A 77 0.109 2.367 -5.297 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.435 2.399 -6.963 1.00 0.26 H new ATOM 0 HG LEU A 77 1.592 4.303 -5.757 1.00 0.32 H new ATOM 0 HD11 LEU A 77 3.237 3.055 -7.105 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.454 2.016 -5.891 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.960 1.917 -7.598 1.00 0.39 H new ATOM 0 HD21 LEU A 77 2.021 4.949 -8.097 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.700 3.882 -8.628 1.00 0.39 H new ATOM 0 HD23 LEU A 77 0.345 5.299 -7.612 1.00 0.39 H new ATOM 981 N LEU A 78 -2.497 2.924 -4.090 1.00 0.22 N ATOM 982 CA LEU A 78 -3.644 2.257 -3.502 1.00 0.27 C ATOM 983 C LEU A 78 -4.875 3.161 -3.540 1.00 0.27 C ATOM 984 O LEU A 78 -5.992 2.704 -3.787 1.00 0.29 O ATOM 985 CB LEU A 78 -3.302 1.889 -2.067 1.00 0.36 C ATOM 986 CG LEU A 78 -4.430 1.283 -1.252 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.764 -0.109 -1.762 1.00 0.77 C ATOM 988 CD2 LEU A 78 -4.035 1.255 0.215 1.00 0.81 C ATOM 0 H LEU A 78 -1.746 3.114 -3.427 1.00 0.22 H new ATOM 0 HA LEU A 78 -3.877 1.358 -4.073 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.471 1.184 -2.081 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -2.951 2.786 -1.556 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.326 1.895 -1.358 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -5.575 -0.530 -1.167 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -5.073 -0.050 -2.806 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.884 -0.747 -1.680 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.844 0.820 0.801 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.134 0.654 0.338 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -3.843 2.271 0.560 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.656 4.443 -3.284 1.00 0.30 N ATOM 1001 CA LEU A 79 -5.720 5.437 -3.358 1.00 0.38 C ATOM 1002 C LEU A 79 -6.336 5.476 -4.750 1.00 0.34 C ATOM 1003 O LEU A 79 -7.517 5.780 -4.903 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.191 6.821 -2.979 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.413 7.237 -1.521 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -4.742 6.265 -0.567 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -4.897 8.650 -1.292 1.00 1.08 C ATOM 0 H LEU A 79 -3.746 4.822 -3.022 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.495 5.150 -2.647 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.122 6.852 -3.188 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -5.664 7.561 -3.625 1.00 0.48 H new ATOM 0 HG LEU A 79 -6.484 7.217 -1.321 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -4.916 6.585 0.460 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -5.157 5.268 -0.712 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -3.670 6.244 -0.764 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -5.061 8.933 -0.252 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -3.831 8.689 -1.515 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -5.429 9.342 -1.945 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.534 5.158 -5.760 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.017 5.087 -7.129 1.00 0.33 C ATOM 1021 C GLU A 80 -6.942 3.889 -7.305 1.00 0.27 C ATOM 1022 O GLU A 80 -7.954 3.964 -8.004 1.00 0.30 O ATOM 1023 CB GLU A 80 -4.831 4.972 -8.074 1.00 0.43 C ATOM 1024 CG GLU A 80 -3.878 6.144 -7.976 1.00 0.80 C ATOM 1025 CD GLU A 80 -4.454 7.410 -8.574 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -4.531 7.501 -9.817 1.00 2.13 O ATOM 1027 OE2 GLU A 80 -4.839 8.317 -7.807 1.00 1.86 O ATOM 0 H GLU A 80 -4.542 4.945 -5.653 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.579 5.992 -7.357 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -4.289 4.052 -7.857 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -5.196 4.893 -9.098 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -3.630 6.320 -6.929 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -2.947 5.895 -8.486 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.583 2.788 -6.655 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.372 1.571 -6.697 1.00 0.24 C ATOM 1036 C LEU A 81 -8.732 1.821 -6.057 1.00 0.25 C ATOM 1037 O LEU A 81 -9.776 1.571 -6.658 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.629 0.466 -5.947 1.00 0.31 C ATOM 1039 CG LEU A 81 -6.790 -0.940 -6.514 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -5.852 -1.902 -5.805 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -8.228 -1.421 -6.388 1.00 1.17 C ATOM 0 H LEU A 81 -5.739 2.718 -6.087 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.523 1.263 -7.732 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.567 0.713 -5.932 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -6.970 0.462 -4.912 1.00 0.31 H new ATOM 0 HG LEU A 81 -6.535 -0.909 -7.573 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -5.976 -2.903 -6.219 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -4.822 -1.576 -5.947 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -6.084 -1.918 -4.740 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -8.313 -2.426 -6.800 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -8.516 -1.434 -5.337 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -8.886 -0.747 -6.936 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.700 2.349 -4.840 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.901 2.662 -4.085 1.00 0.41 C ATOM 1055 C LEU A 82 -10.698 3.797 -4.715 1.00 0.46 C ATOM 1056 O LEU A 82 -11.834 4.057 -4.323 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.508 3.023 -2.658 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.724 1.917 -1.631 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -9.235 0.572 -2.149 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -9.033 2.267 -0.321 1.00 1.15 C ATOM 0 H LEU A 82 -7.834 2.572 -4.349 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.545 1.783 -4.089 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.456 3.307 -2.648 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -10.078 3.900 -2.351 1.00 0.50 H new ATOM 0 HG LEU A 82 -10.796 1.833 -1.452 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -9.404 -0.193 -1.391 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -9.780 0.311 -3.056 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -8.170 0.633 -2.371 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -9.197 1.468 0.402 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.963 2.386 -0.494 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -9.443 3.198 0.069 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.111 4.462 -5.693 1.00 0.45 N ATOM 1073 CA ASN A 83 -10.792 5.552 -6.375 1.00 0.55 C ATOM 1074 C ASN A 83 -11.492 5.026 -7.621 1.00 0.53 C ATOM 1075 O ASN A 83 -12.300 5.714 -8.243 1.00 0.59 O ATOM 1076 CB ASN A 83 -9.797 6.658 -6.742 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.469 7.903 -7.288 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -10.927 8.756 -6.527 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -10.508 8.032 -8.604 1.00 1.46 N ATOM 0 H ASN A 83 -9.169 4.269 -6.033 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.540 5.976 -5.705 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.215 6.923 -5.859 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.095 6.276 -7.483 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -10.929 8.861 -9.023 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -10.117 7.302 -9.200 1.00 1.46 H new ATOM 1086 N LYS A 84 -11.202 3.779 -7.960 1.00 0.50 N ATOM 1087 CA LYS A 84 -11.771 3.154 -9.144 1.00 0.58 C ATOM 1088 C LYS A 84 -12.503 1.873 -8.771 1.00 1.18 C ATOM 1089 O LYS A 84 -12.384 0.848 -9.445 1.00 1.86 O ATOM 1090 CB LYS A 84 -10.680 2.870 -10.176 1.00 1.18 C ATOM 1091 CG LYS A 84 -10.092 4.128 -10.795 1.00 1.90 C ATOM 1092 CD LYS A 84 -11.074 4.823 -11.730 1.00 2.86 C ATOM 1093 CE LYS A 84 -11.456 3.944 -12.914 1.00 3.49 C ATOM 1094 NZ LYS A 84 -10.269 3.525 -13.708 1.00 4.17 N ATOM 0 H LYS A 84 -10.573 3.177 -7.429 1.00 0.50 H new ATOM 0 HA LYS A 84 -12.490 3.843 -9.586 1.00 0.58 H new ATOM 0 HB2 LYS A 84 -9.881 2.300 -9.702 1.00 1.18 H new ATOM 0 HB3 LYS A 84 -11.093 2.244 -10.967 1.00 1.18 H new ATOM 0 HG2 LYS A 84 -9.797 4.817 -10.003 1.00 1.90 H new ATOM 0 HG3 LYS A 84 -9.188 3.871 -11.347 1.00 1.90 H new ATOM 0 HD2 LYS A 84 -11.972 5.094 -11.175 1.00 2.86 H new ATOM 0 HD3 LYS A 84 -10.632 5.750 -12.095 1.00 2.86 H new ATOM 0 HE2 LYS A 84 -11.981 3.059 -12.553 1.00 3.49 H new ATOM 0 HE3 LYS A 84 -12.149 4.485 -13.558 1.00 3.49 H new ATOM 0 HZ1 LYS A 84 -10.583 3.106 -14.607 1.00 4.17 H new ATOM 0 HZ2 LYS A 84 -9.671 4.354 -13.903 1.00 4.17 H new ATOM 0 HZ3 LYS A 84 -9.722 2.822 -13.170 1.00 4.17 H new ATOM 1108 N THR A 85 -13.256 1.941 -7.691 1.00 1.78 N ATOM 1109 CA THR A 85 -14.025 0.806 -7.225 1.00 2.69 C ATOM 1110 C THR A 85 -15.310 1.288 -6.545 1.00 3.28 C ATOM 1111 O THR A 85 -16.407 0.929 -7.024 1.00 3.79 O ATOM 1112 CB THR A 85 -13.185 -0.106 -6.289 1.00 3.20 C ATOM 1113 OG1 THR A 85 -13.898 -1.312 -5.986 1.00 3.79 O ATOM 1114 CG2 THR A 85 -12.809 0.602 -4.997 1.00 2.93 C ATOM 1115 OXT THR A 85 -15.225 2.078 -5.581 1.00 3.62 O ATOM 0 H THR A 85 -13.351 2.778 -7.116 1.00 1.78 H new ATOM 0 HA THR A 85 -14.302 0.198 -8.086 1.00 2.69 H new ATOM 0 HB THR A 85 -12.266 -0.351 -6.822 1.00 3.20 H new ATOM 0 HG1 THR A 85 -13.761 -1.545 -5.044 1.00 3.79 H new ATOM 0 HG21 THR A 85 -12.222 -0.070 -4.371 1.00 2.93 H new ATOM 0 HG22 THR A 85 -12.220 1.490 -5.227 1.00 2.93 H new ATOM 0 HG23 THR A 85 -13.715 0.895 -4.466 1.00 2.93 H new TER 1123 THR A 85