Browse entries in the PDBbind-CN Database
HEADER 5H9P_COMPLEX COMPND 5H9P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 PRO LEU ILE VAL PRO TYR ASN LEU PRO LEU PRO GLY GLY SEQRES 2 A 138 VAL VAL PRO ARG MET LEU ILE THR ILE LEU GLY THR VAL SEQRES 3 A 138 LYS PRO ASN ALA ASN ARG ILE ALA LEU ASP PHE GLN ARG SEQRES 4 A 138 GLY ASN ASP VAL ALA PHE HIS PHE ASN PRO ARG PHE ASN SEQRES 5 A 138 GLU ASN ASN ARG ARG VAL ILE VAL CYS ASN THR LYS LEU SEQRES 6 A 138 ASP ASN ASN TRP GLY ARG GLU GLU ARG GLN SER VAL PHE SEQRES 7 A 138 PRO PHE GLU SER GLY LYS PRO PHE LYS ILE GLN VAL LEU SEQRES 8 A 138 VAL GLU PRO ASP HIS PHE LYS VAL ALA VAL ASN ASP ALA SEQRES 9 A 138 HIS LEU LEU GLN TYR ASN HIS ARG VAL LYS LYS LEU ASN SEQRES 10 A 138 GLU ILE SER LYS LEU GLY ILE SER GLY ASP ILE ASP LEU SEQRES 11 A 138 THR SER ALA SER TYR THR MET ILE HET TD A 2 75 ATOM 1 N PRO A 113 4.781 4.166 11.014 1.00 67.14 N ATOM 2 CA PRO A 113 5.209 5.342 10.246 1.00 69.16 C ATOM 3 C PRO A 113 5.050 5.141 8.738 1.00 67.68 C ATOM 4 O PRO A 113 5.893 5.592 7.961 1.00 70.47 O ATOM 5 CB PRO A 113 6.685 5.490 10.630 1.00 77.90 C ATOM 6 CG PRO A 113 7.116 4.102 10.979 1.00 78.19 C ATOM 7 CD PRO A 113 5.920 3.455 11.623 1.00 72.25 C ATOM 8 HN2 PRO A 113 4.280 3.514 10.377 1.00 0.00 H ATOM 9 HN1 PRO A 113 4.136 4.475 11.769 1.00 0.00 H ATOM 10 N LEU A 114 3.971 4.474 8.338 1.00 61.36 N ATOM 11 CA LEU A 114 3.716 4.178 6.931 1.00 53.27 C ATOM 12 C LEU A 114 3.059 5.359 6.215 1.00 48.15 C ATOM 13 O LEU A 114 2.720 6.366 6.837 1.00 50.36 O ATOM 14 CB LEU A 114 2.840 2.929 6.807 1.00 47.40 C ATOM 15 CG LEU A 114 3.310 1.713 7.611 1.00 49.58 C ATOM 16 CD1 LEU A 114 2.285 0.586 7.553 1.00 37.92 C ATOM 17 CD2 LEU A 114 4.673 1.233 7.124 1.00 48.76 C ATOM 18 H LEU A 114 3.286 4.152 9.051 1.00 0.00 H ATOM 19 N ILE A 115 2.877 5.224 4.905 1.00 45.33 N ATOM 20 CA ILE A 115 2.347 6.310 4.081 1.00 48.37 C ATOM 21 C ILE A 115 0.891 6.085 3.676 1.00 42.77 C ATOM 22 O ILE A 115 0.521 5.007 3.217 1.00 43.70 O ATOM 23 CB ILE A 115 3.201 6.506 2.806 1.00 54.17 C ATOM 24 CG1 ILE A 115 4.530 7.173 3.157 1.00 59.89 C ATOM 25 CG2 ILE A 115 2.468 7.363 1.783 1.00 51.19 C ATOM 26 CD1 ILE A 115 4.372 8.564 3.751 1.00 63.36 C ATOM 27 H ILE A 115 3.119 4.319 4.453 1.00 0.00 H ATOM 28 N VAL A 116 0.077 7.121 3.850 1.00 39.74 N ATOM 29 CA VAL A 116 -1.332 7.099 3.479 1.00 37.30 C ATOM 30 C VAL A 116 -1.556 8.020 2.274 1.00 33.91 C ATOM 31 O VAL A 116 -1.040 9.135 2.253 1.00 38.91 O ATOM 32 CB VAL A 116 -2.210 7.528 4.681 1.00 37.88 C ATOM 33 CG1 VAL A 116 -3.637 7.805 4.258 1.00 38.67 C ATOM 34 CG2 VAL A 116 -2.161 6.465 5.769 1.00 34.06 C ATOM 35 H VAL A 116 0.464 7.989 4.271 1.00 0.00 H ATOM 36 N PRO A 117 -2.315 7.566 1.257 1.00 33.90 N ATOM 37 CA PRO A 117 -3.042 6.296 1.110 1.00 34.28 C ATOM 38 C PRO A 117 -2.132 5.075 1.004 1.00 37.12 C ATOM 39 O PRO A 117 -1.113 5.095 0.315 1.00 39.01 O ATOM 40 CB PRO A 117 -3.838 6.493 -0.186 1.00 35.03 C ATOM 41 CG PRO A 117 -3.084 7.519 -0.942 1.00 39.66 C ATOM 42 CD PRO A 117 -2.526 8.446 0.093 1.00 41.92 C ATOM 43 N TYR A 118 -2.518 4.018 1.707 1.00 30.15 N ATOM 44 CA TYR A 118 -1.715 2.814 1.800 1.00 24.61 C ATOM 45 C TYR A 118 -2.440 1.640 1.135 1.00 30.70 C ATOM 46 O TYR A 118 -3.649 1.467 1.311 1.00 24.10 O ATOM 47 CB TYR A 118 -1.414 2.508 3.268 1.00 23.98 C ATOM 48 CG TYR A 118 -0.442 1.380 3.491 1.00 28.37 C ATOM 49 CD1 TYR A 118 0.926 1.602 3.436 1.00 28.23 C ATOM 50 CD2 TYR A 118 -0.890 0.092 3.770 1.00 28.85 C ATOM 51 CE1 TYR A 118 1.823 0.573 3.642 1.00 34.63 C ATOM 52 CE2 TYR A 118 0.000 -0.945 3.978 1.00 25.73 C ATOM 53 CZ TYR A 118 1.356 -0.699 3.913 1.00 34.91 C ATOM 54 OH TYR A 118 2.248 -1.726 4.119 1.00 35.02 O ATOM 55 HH TYR A 118 3.172 -1.380 4.037 1.00 0.00 H ATOM 56 H TYR A 118 -3.428 4.054 2.209 1.00 0.00 H ATOM 57 N ASN A 119 -1.701 0.851 0.361 1.00 24.08 N ATOM 58 CA ASN A 119 -2.242 -0.355 -0.253 1.00 25.22 C ATOM 59 C ASN A 119 -1.680 -1.599 0.416 1.00 28.68 C ATOM 60 O ASN A 119 -0.472 -1.826 0.403 1.00 32.51 O ATOM 61 CB ASN A 119 -1.935 -0.395 -1.752 1.00 28.08 C ATOM 62 CG ASN A 119 -2.157 -1.783 -2.358 1.00 43.40 C ATOM 63 OD1 ASN A 119 -3.172 -2.436 -2.101 1.00 39.35 O ATOM 64 ND2 ASN A 119 -1.193 -2.244 -3.151 1.00 41.22 N ATOM 65 HD22 ASN A 119 -0.353 -1.661 -3.342 1.00 0.00 H ATOM 66 HD21 ASN A 119 -1.279 -3.187 -3.580 1.00 0.00 H ATOM 67 H ASN A 119 -0.707 1.102 0.188 1.00 0.00 H ATOM 68 N LEU A 120 -2.559 -2.399 1.006 1.00 18.53 N ATOM 69 CA LEU A 120 -2.152 -3.654 1.617 1.00 22.11 C ATOM 70 C LEU A 120 -2.643 -4.821 0.772 1.00 21.36 C ATOM 71 O LEU A 120 -3.839 -5.120 0.759 1.00 17.21 O ATOM 72 CB LEU A 120 -2.695 -3.778 3.041 1.00 23.94 C ATOM 73 CG LEU A 120 -2.331 -5.082 3.760 1.00 26.85 C ATOM 74 CD1 LEU A 120 -0.820 -5.192 3.942 1.00 30.09 C ATOM 75 CD2 LEU A 120 -3.050 -5.205 5.094 1.00 24.66 C ATOM 76 H LEU A 120 -3.561 -2.122 1.032 1.00 0.00 H ATOM 77 N PRO A 121 -1.723 -5.476 0.052 1.00 20.78 N ATOM 78 CA PRO A 121 -2.090 -6.667 -0.720 1.00 20.00 C ATOM 79 C PRO A 121 -2.584 -7.769 0.203 1.00 18.53 C ATOM 80 O PRO A 121 -2.034 -7.954 1.285 1.00 19.86 O ATOM 81 CB PRO A 121 -0.780 -7.070 -1.404 1.00 25.63 C ATOM 82 CG PRO A 121 0.053 -5.816 -1.406 1.00 26.44 C ATOM 83 CD PRO A 121 -0.311 -5.108 -0.135 1.00 20.93 C ATOM 84 N LEU A 122 -3.633 -8.466 -0.214 1.00 15.01 N ATOM 85 CA LEU A 122 -4.129 -9.621 0.518 1.00 15.33 C ATOM 86 C LEU A 122 -3.959 -10.838 -0.378 1.00 18.05 C ATOM 87 O LEU A 122 -4.855 -11.158 -1.159 1.00 14.73 O ATOM 88 CB LEU A 122 -5.594 -9.433 0.917 1.00 13.91 C ATOM 89 CG LEU A 122 -5.941 -8.116 1.620 1.00 21.96 C ATOM 90 CD1 LEU A 122 -7.449 -7.949 1.740 1.00 19.83 C ATOM 91 CD2 LEU A 122 -5.285 -8.047 2.987 1.00 18.48 C ATOM 92 H LEU A 122 -4.115 -8.178 -1.090 1.00 0.00 H ATOM 93 N PRO A 123 -2.794 -11.500 -0.283 1.00 18.95 N ATOM 94 CA PRO A 123 -2.401 -12.593 -1.181 1.00 16.25 C ATOM 95 C PRO A 123 -3.422 -13.724 -1.213 1.00 21.79 C ATOM 96 O PRO A 123 -3.690 -14.342 -0.179 1.00 14.23 O ATOM 97 CB PRO A 123 -1.073 -13.074 -0.585 1.00 20.60 C ATOM 98 CG PRO A 123 -0.533 -11.856 0.141 1.00 24.52 C ATOM 99 CD PRO A 123 -1.755 -11.214 0.726 1.00 20.82 C ATOM 100 N GLY A 124 -3.981 -13.987 -2.391 1.00 18.40 N ATOM 101 CA GLY A 124 -4.972 -15.036 -2.545 1.00 18.74 C ATOM 102 C GLY A 124 -6.356 -14.594 -2.108 1.00 18.37 C ATOM 103 O GLY A 124 -7.273 -15.407 -2.042 1.00 16.02 O ATOM 104 H GLY A 124 -3.701 -13.427 -3.222 1.00 0.00 H ATOM 105 N GLY A 125 -6.510 -13.305 -1.806 1.00 16.22 N ATOM 106 CA GLY A 125 -7.799 -12.770 -1.399 1.00 17.58 C ATOM 107 C GLY A 125 -8.113 -13.003 0.074 1.00 21.05 C ATOM 108 O GLY A 125 -7.266 -13.477 0.824 1.00 24.74 O ATOM 109 H GLY A 125 -5.690 -12.668 -1.863 1.00 0.00 H ATOM 110 N VAL A 126 -9.330 -12.664 0.490 1.00 16.96 N ATOM 111 CA VAL A 126 -9.744 -12.899 1.868 1.00 21.21 C ATOM 112 C VAL A 126 -10.421 -14.255 2.003 1.00 21.51 C ATOM 113 O VAL A 126 -10.961 -14.805 1.039 1.00 22.09 O ATOM 114 CB VAL A 126 -10.699 -11.806 2.392 1.00 22.69 C ATOM 115 CG1 VAL A 126 -10.064 -10.424 2.250 1.00 19.21 C ATOM 116 CG2 VAL A 126 -12.051 -11.873 1.687 1.00 16.59 C ATOM 117 H VAL A 126 -9.996 -12.225 -0.177 1.00 0.00 H ATOM 118 N VAL A 127 -10.386 -14.782 3.218 1.00 23.50 N ATOM 119 CA VAL A 127 -10.915 -16.103 3.515 1.00 23.13 C ATOM 120 C VAL A 127 -11.433 -16.046 4.949 1.00 21.93 C ATOM 121 O VAL A 127 -10.897 -15.285 5.758 1.00 21.80 O ATOM 122 CB VAL A 127 -9.818 -17.195 3.335 1.00 26.86 C ATOM 123 CG1 VAL A 127 -8.723 -17.048 4.387 1.00 24.51 C ATOM 124 CG2 VAL A 127 -10.407 -18.597 3.357 1.00 30.88 C ATOM 125 H VAL A 127 -9.963 -14.228 3.990 1.00 0.00 H ATOM 126 N PRO A 128 -12.501 -16.800 5.265 1.00 20.58 N ATOM 127 CA PRO A 128 -12.953 -16.830 6.661 1.00 23.41 C ATOM 128 C PRO A 128 -11.812 -17.135 7.626 1.00 21.86 C ATOM 129 O PRO A 128 -10.914 -17.902 7.270 1.00 19.00 O ATOM 130 CB PRO A 128 -13.994 -17.949 6.662 1.00 26.08 C ATOM 131 CG PRO A 128 -14.588 -17.875 5.280 1.00 25.04 C ATOM 132 CD PRO A 128 -13.452 -17.480 4.364 1.00 26.56 C ATOM 133 N ARG A 129 -11.860 -16.504 8.800 1.00 18.44 N ATOM 134 CA ARG A 129 -10.849 -16.592 9.867 1.00 22.68 C ATOM 135 C ARG A 129 -9.611 -15.732 9.607 1.00 22.99 C ATOM 136 O ARG A 129 -8.671 -15.737 10.397 1.00 21.63 O ATOM 137 CB ARG A 129 -10.427 -18.044 10.117 1.00 25.61 C ATOM 138 CG ARG A 129 -11.584 -18.957 10.492 1.00 31.68 C ATOM 139 CD ARG A 129 -11.089 -20.346 10.844 1.00 39.54 C ATOM 140 NE ARG A 129 -10.345 -20.351 12.099 1.00 45.25 N ATOM 141 CZ ARG A 129 -10.745 -20.979 13.200 1.00 53.47 C ATOM 142 NH1 ARG A 129 -11.881 -21.667 13.201 1.00 51.08 N ATOM 143 NH2 ARG A 129 -10.002 -20.929 14.298 1.00 46.81 N ATOM 144 HE ARG A 129 -9.445 -19.831 12.134 1.00 0.00 H ATOM 145 HH12 ARG A 129 -12.191 -22.157 14.064 1.00 0.00 H ATOM 146 HH11 ARG A 129 -12.460 -21.715 12.339 1.00 0.00 H ATOM 147 HH22 ARG A 129 -10.314 -21.420 15.160 1.00 0.00 H ATOM 148 HH21 ARG A 129 -9.107 -20.399 14.297 1.00 0.00 H ATOM 149 H ARG A 129 -12.685 -15.896 8.978 1.00 0.00 H ATOM 150 N MET A 130 -9.613 -14.978 8.514 1.00 20.83 N ATOM 151 CA MET A 130 -8.540 -14.024 8.280 1.00 18.67 C ATOM 152 C MET A 130 -8.819 -12.765 9.097 1.00 15.23 C ATOM 153 O MET A 130 -9.927 -12.235 9.071 1.00 17.05 O ATOM 154 CB MET A 130 -8.415 -13.692 6.795 1.00 17.32 C ATOM 155 CG MET A 130 -7.302 -12.708 6.450 1.00 24.38 C ATOM 156 SD MET A 130 -7.212 -12.425 4.661 1.00 28.51 S ATOM 157 CE MET A 130 -5.743 -11.412 4.538 1.00 27.41 C ATOM 158 H MET A 130 -10.385 -15.070 7.823 1.00 0.00 H ATOM 159 N LEU A 131 -7.813 -12.298 9.827 1.00 18.80 N ATOM 160 CA LEU A 131 -7.964 -11.128 10.691 1.00 21.66 C ATOM 161 C LEU A 131 -7.046 -10.002 10.241 1.00 19.40 C ATOM 162 O LEU A 131 -5.831 -10.155 10.239 1.00 23.25 O ATOM 163 CB LEU A 131 -7.663 -11.490 12.149 1.00 19.29 C ATOM 164 CG LEU A 131 -7.772 -10.356 13.178 1.00 22.54 C ATOM 165 CD1 LEU A 131 -9.222 -9.920 13.339 1.00 21.33 C ATOM 166 CD2 LEU A 131 -7.181 -10.776 14.519 1.00 26.32 C ATOM 167 H LEU A 131 -6.891 -12.778 9.783 1.00 0.00 H ATOM 168 N ILE A 132 -7.628 -8.872 9.858 1.00 18.96 N ATOM 169 CA ILE A 132 -6.826 -7.740 9.425 1.00 20.34 C ATOM 170 C ILE A 132 -6.792 -6.692 10.540 1.00 21.95 C ATOM 171 O ILE A 132 -7.832 -6.308 11.067 1.00 20.75 O ATOM 172 CB ILE A 132 -7.365 -7.131 8.112 1.00 23.09 C ATOM 173 CG1 ILE A 132 -7.305 -8.164 6.979 1.00 23.03 C ATOM 174 CG2 ILE A 132 -6.569 -5.888 7.719 1.00 22.23 C ATOM 175 CD1 ILE A 132 -8.617 -8.834 6.680 1.00 22.09 C ATOM 176 H ILE A 132 -8.665 -8.796 9.868 1.00 0.00 H ATOM 177 N THR A 133 -5.590 -6.259 10.914 1.00 15.20 N ATOM 178 CA THR A 133 -5.422 -5.296 12.004 1.00 20.34 C ATOM 179 C THR A 133 -4.773 -4.008 11.509 1.00 25.12 C ATOM 180 O THR A 133 -3.679 -4.029 10.941 1.00 23.83 O ATOM 181 CB THR A 133 -4.564 -5.869 13.161 1.00 18.79 C ATOM 182 OG1 THR A 133 -5.201 -7.028 13.704 1.00 19.18 O ATOM 183 CG2 THR A 133 -4.395 -4.828 14.277 1.00 21.11 C ATOM 184 HG1 THR A 133 -5.297 -7.713 12.995 1.00 0.00 H ATOM 185 H THR A 133 -4.747 -6.614 10.419 1.00 0.00 H ATOM 186 N ILE A 134 -5.456 -2.890 11.727 1.00 22.76 N ATOM 187 CA ILE A 134 -4.913 -1.584 11.392 1.00 20.18 C ATOM 188 C ILE A 134 -4.715 -0.745 12.654 1.00 22.02 C ATOM 189 O ILE A 134 -5.662 -0.500 13.400 1.00 21.92 O ATOM 190 CB ILE A 134 -5.825 -0.836 10.407 1.00 19.59 C ATOM 191 CG1 ILE A 134 -5.943 -1.624 9.097 1.00 19.62 C ATOM 192 CG2 ILE A 134 -5.296 0.575 10.142 1.00 20.08 C ATOM 193 CD1 ILE A 134 -7.301 -2.204 8.876 1.00 26.81 C ATOM 194 H ILE A 134 -6.405 -2.951 12.149 1.00 0.00 H ATOM 195 N LEU A 135 -3.477 -0.325 12.894 1.00 19.50 N ATOM 196 CA LEU A 135 -3.172 0.560 14.015 1.00 22.45 C ATOM 197 C LEU A 135 -2.809 1.942 13.503 1.00 27.02 C ATOM 198 O LEU A 135 -2.009 2.081 12.575 1.00 24.26 O ATOM 199 CB LEU A 135 -2.029 0.007 14.866 1.00 26.52 C ATOM 200 CG LEU A 135 -2.356 -1.140 15.817 1.00 34.06 C ATOM 201 CD1 LEU A 135 -1.074 -1.791 16.307 1.00 38.77 C ATOM 202 CD2 LEU A 135 -3.158 -0.611 16.987 1.00 32.49 C ATOM 203 H LEU A 135 -2.706 -0.634 12.268 1.00 0.00 H ATOM 204 N GLY A 136 -3.399 2.967 14.102 1.00 24.99 N ATOM 205 CA GLY A 136 -3.102 4.321 13.685 1.00 24.08 C ATOM 206 C GLY A 136 -3.552 5.355 14.690 1.00 25.32 C ATOM 207 O GLY A 136 -4.031 5.023 15.772 1.00 23.07 O ATOM 208 H GLY A 136 -4.076 2.798 14.873 1.00 0.00 H ATOM 209 N THR A 137 -3.383 6.618 14.323 1.00 20.32 N ATOM 210 CA THR A 137 -3.866 7.721 15.133 1.00 24.19 C ATOM 211 C THR A 137 -4.677 8.637 14.232 1.00 22.79 C ATOM 212 O THR A 137 -4.258 8.957 13.121 1.00 25.51 O ATOM 213 CB THR A 137 -2.707 8.492 15.800 1.00 26.16 C ATOM 214 OG1 THR A 137 -1.944 7.593 16.612 1.00 29.06 O ATOM 215 CG2 THR A 137 -3.239 9.620 16.681 1.00 23.22 C ATOM 216 HG1 THR A 137 -1.577 6.869 16.045 1.00 0.00 H ATOM 217 H THR A 137 -2.891 6.824 13.430 1.00 0.00 H ATOM 218 N VAL A 138 -5.859 9.024 14.693 1.00 23.20 N ATOM 219 CA VAL A 138 -6.681 9.959 13.943 1.00 24.31 C ATOM 220 C VAL A 138 -6.030 11.333 14.005 1.00 28.74 C ATOM 221 O VAL A 138 -5.646 11.781 15.080 1.00 30.79 O ATOM 222 CB VAL A 138 -8.117 10.034 14.495 1.00 26.65 C ATOM 223 CG1 VAL A 138 -8.931 11.018 13.684 1.00 24.91 C ATOM 224 CG2 VAL A 138 -8.772 8.659 14.475 1.00 19.54 C ATOM 225 H VAL A 138 -6.202 8.654 15.602 1.00 0.00 H ATOM 226 N LYS A 139 -5.892 11.994 12.860 1.00 29.61 N ATOM 227 CA LYS A 139 -5.312 13.333 12.830 1.00 32.15 C ATOM 228 C LYS A 139 -6.203 14.330 13.565 1.00 32.39 C ATOM 229 O LYS A 139 -7.398 14.089 13.744 1.00 26.00 O ATOM 230 CB LYS A 139 -5.080 13.787 11.385 1.00 28.45 C ATOM 231 CG LYS A 139 -3.842 13.177 10.743 1.00 32.03 C ATOM 232 CD LYS A 139 -3.650 13.664 9.315 1.00 44.58 C ATOM 233 CE LYS A 139 -2.264 13.309 8.794 1.00 48.00 C ATOM 234 NZ LYS A 139 -1.996 13.902 7.454 1.00 46.37 N ATOM 235 HZ1 LYS A 139 -2.698 13.548 6.773 1.00 0.00 H ATOM 236 HZ2 LYS A 139 -2.063 14.938 7.515 1.00 0.00 H ATOM 237 HZ3 LYS A 139 -1.041 13.633 7.142 1.00 0.00 H ATOM 238 H LYS A 139 -6.202 11.550 11.972 1.00 0.00 H ATOM 239 N PRO A 140 -5.617 15.447 14.025 1.00 41.38 N ATOM 240 CA PRO A 140 -6.455 16.513 14.581 1.00 34.94 C ATOM 241 C PRO A 140 -7.339 17.115 13.498 1.00 27.03 C ATOM 242 O PRO A 140 -6.909 17.213 12.345 1.00 36.69 O ATOM 243 CB PRO A 140 -5.438 17.530 15.108 1.00 37.33 C ATOM 244 CG PRO A 140 -4.192 17.255 14.338 1.00 45.03 C ATOM 245 CD PRO A 140 -4.183 15.770 14.113 1.00 39.85 C ATOM 246 N ASN A 141 -8.561 17.491 13.862 1.00 30.19 N ATOM 247 CA ASN A 141 -9.518 18.050 12.911 1.00 29.53 C ATOM 248 C ASN A 141 -9.718 17.143 11.705 1.00 29.85 C ATOM 249 O ASN A 141 -9.823 17.616 10.573 1.00 32.94 O ATOM 250 CB ASN A 141 -9.072 19.438 12.443 1.00 38.27 C ATOM 251 CG ASN A 141 -8.691 20.346 13.592 1.00 48.27 C ATOM 252 OD1 ASN A 141 -7.567 20.844 13.654 1.00 52.19 O ATOM 253 ND2 ASN A 141 -9.625 20.566 14.512 1.00 46.35 N ATOM 254 HD22 ASN A 141 -10.562 20.124 14.418 1.00 0.00 H ATOM 255 HD21 ASN A 141 -9.419 21.180 15.325 1.00 0.00 H ATOM 256 H ASN A 141 -8.845 17.384 14.857 1.00 0.00 H ATOM 257 N ALA A 142 -9.759 15.837 11.951 1.00 28.47 N ATOM 258 CA ALA A 142 -9.978 14.875 10.881 1.00 27.42 C ATOM 259 C ALA A 142 -11.373 15.027 10.303 1.00 30.51 C ATOM 260 O ALA A 142 -12.325 15.348 11.016 1.00 26.65 O ATOM 261 CB ALA A 142 -9.768 13.463 11.378 1.00 26.17 C ATOM 262 H ALA A 142 -9.632 15.497 12.926 1.00 0.00 H ATOM 263 N ASN A 143 -11.479 14.799 9.000 1.00 28.78 N ATOM 264 CA ASN A 143 -12.754 14.856 8.306 1.00 28.54 C ATOM 265 C ASN A 143 -13.287 13.461 7.991 1.00 30.15 C ATOM 266 O ASN A 143 -14.468 13.179 8.188 1.00 28.03 O ATOM 267 CB ASN A 143 -12.617 15.671 7.019 1.00 29.13 C ATOM 268 CG ASN A 143 -13.882 15.661 6.185 1.00 42.10 C ATOM 269 OD1 ASN A 143 -13.951 14.997 5.150 1.00 45.71 O ATOM 270 ND2 ASN A 143 -14.894 16.397 6.635 1.00 52.56 N ATOM 271 HD22 ASN A 143 -14.790 16.942 7.515 1.00 0.00 H ATOM 272 HD21 ASN A 143 -15.790 16.428 6.107 1.00 0.00 H ATOM 273 H ASN A 143 -10.621 14.572 8.458 1.00 0.00 H ATOM 274 N ARG A 144 -12.411 12.588 7.502 1.00 30.20 N ATOM 275 CA ARG A 144 -12.837 11.245 7.117 1.00 31.46 C ATOM 276 C ARG A 144 -11.710 10.211 7.094 1.00 25.47 C ATOM 277 O ARG A 144 -10.531 10.546 6.974 1.00 24.79 O ATOM 278 CB ARG A 144 -13.521 11.291 5.744 1.00 25.51 C ATOM 279 CG ARG A 144 -12.683 11.896 4.624 1.00 36.52 C ATOM 280 CD ARG A 144 -13.542 12.151 3.388 1.00 40.49 C ATOM 281 NE ARG A 144 -12.747 12.400 2.188 1.00 51.01 N ATOM 282 CZ ARG A 144 -13.247 12.457 0.954 1.00 54.21 C ATOM 283 NH1 ARG A 144 -14.549 12.282 0.749 1.00 47.70 N ATOM 284 NH2 ARG A 144 -12.445 12.685 -0.078 1.00 50.87 N ATOM 285 HE ARG A 144 -11.723 12.542 2.304 1.00 0.00 H ATOM 286 HH12 ARG A 144 -14.934 12.327 -0.216 1.00 0.00 H ATOM 287 HH11 ARG A 144 -15.182 12.100 1.554 1.00 0.00 H ATOM 288 HH22 ARG A 144 -12.836 12.729 -1.041 1.00 0.00 H ATOM 289 HH21 ARG A 144 -11.425 12.819 0.076 1.00 0.00 H ATOM 290 H ARG A 144 -11.414 12.864 7.393 1.00 0.00 H ATOM 291 N ILE A 145 -12.108 8.948 7.233 1.00 29.14 N ATOM 292 CA ILE A 145 -11.218 7.795 7.128 1.00 19.43 C ATOM 293 C ILE A 145 -11.906 6.802 6.200 1.00 22.07 C ATOM 294 O ILE A 145 -13.133 6.740 6.185 1.00 18.11 O ATOM 295 CB ILE A 145 -10.949 7.134 8.505 1.00 23.89 C ATOM 296 CG1 ILE A 145 -10.434 8.155 9.523 1.00 22.95 C ATOM 297 CG2 ILE A 145 -9.969 5.977 8.373 1.00 22.00 C ATOM 298 CD1 ILE A 145 -10.388 7.612 10.932 1.00 27.24 C ATOM 299 H ILE A 145 -13.114 8.772 7.428 1.00 0.00 H ATOM 300 N ALA A 146 -11.143 6.041 5.416 1.00 21.71 N ATOM 301 CA ALA A 146 -11.749 5.017 4.565 1.00 20.12 C ATOM 302 C ALA A 146 -10.903 3.750 4.482 1.00 22.83 C ATOM 303 O ALA A 146 -9.693 3.814 4.256 1.00 20.66 O ATOM 304 CB ALA A 146 -12.004 5.569 3.161 1.00 18.79 C ATOM 305 H ALA A 146 -10.112 6.176 5.409 1.00 0.00 H ATOM 306 N LEU A 147 -11.550 2.604 4.691 1.00 18.09 N ATOM 307 CA LEU A 147 -10.964 1.315 4.346 1.00 13.78 C ATOM 308 C LEU A 147 -11.696 0.769 3.125 1.00 16.82 C ATOM 309 O LEU A 147 -12.924 0.713 3.111 1.00 15.00 O ATOM 310 CB LEU A 147 -11.056 0.323 5.505 1.00 12.68 C ATOM 311 CG LEU A 147 -10.420 0.679 6.851 1.00 22.28 C ATOM 312 CD1 LEU A 147 -10.399 -0.547 7.751 1.00 14.95 C ATOM 313 CD2 LEU A 147 -9.019 1.232 6.674 1.00 25.05 C ATOM 314 H LEU A 147 -12.500 2.630 5.112 1.00 0.00 H ATOM 315 N ASP A 148 -10.948 0.368 2.105 1.00 15.37 N ATOM 316 CA ASP A 148 -11.556 -0.130 0.878 1.00 18.49 C ATOM 317 C ASP A 148 -11.032 -1.520 0.527 1.00 17.08 C ATOM 318 O ASP A 148 -9.900 -1.660 0.058 1.00 16.98 O ATOM 319 CB ASP A 148 -11.296 0.847 -0.284 1.00 16.70 C ATOM 320 CG ASP A 148 -12.035 2.167 -0.115 1.00 28.66 C ATOM 321 OD1 ASP A 148 -13.256 2.194 -0.376 1.00 24.83 O ATOM 322 OD2 ASP A 148 -11.401 3.174 0.276 1.00 28.67 O ATOM 323 H ASP A 148 -9.912 0.410 2.183 1.00 0.00 H ATOM 324 N PHE A 149 -11.849 -2.543 0.777 1.00 15.03 N ATOM 325 CA PHE A 149 -11.545 -3.899 0.329 1.00 15.00 C ATOM 326 C PHE A 149 -11.932 -4.021 -1.140 1.00 17.18 C ATOM 327 O PHE A 149 -13.113 -3.927 -1.495 1.00 16.77 O ATOM 328 CB PHE A 149 -12.283 -4.944 1.176 1.00 13.18 C ATOM 329 CG PHE A 149 -11.759 -5.063 2.583 1.00 18.26 C ATOM 330 CD1 PHE A 149 -10.787 -6.009 2.903 1.00 15.64 C ATOM 331 CD2 PHE A 149 -12.229 -4.225 3.587 1.00 19.59 C ATOM 332 CE1 PHE A 149 -10.296 -6.117 4.202 1.00 15.97 C ATOM 333 CE2 PHE A 149 -11.738 -4.331 4.894 1.00 15.61 C ATOM 334 CZ PHE A 149 -10.776 -5.275 5.195 1.00 14.42 C ATOM 335 H PHE A 149 -12.728 -2.371 1.306 1.00 0.00 H ATOM 336 N GLN A 150 -10.937 -4.218 -1.997 1.00 12.08 N ATOM 337 CA GLN A 150 -11.163 -4.131 -3.434 1.00 16.56 C ATOM 338 C GLN A 150 -11.093 -5.468 -4.164 1.00 15.28 C ATOM 339 O GLN A 150 -10.251 -6.323 -3.865 1.00 15.27 O ATOM 340 CB GLN A 150 -10.156 -3.155 -4.056 1.00 17.62 C ATOM 341 CG GLN A 150 -10.327 -1.709 -3.567 1.00 21.91 C ATOM 342 CD GLN A 150 -9.006 -0.959 -3.472 1.00 39.53 C ATOM 343 OE1 GLN A 150 -7.965 -1.449 -3.915 1.00 41.22 O ATOM 344 NE2 GLN A 150 -9.043 0.237 -2.886 1.00 45.19 N ATOM 345 HE22 GLN A 150 -9.944 0.612 -2.526 1.00 0.00 H ATOM 346 HE21 GLN A 150 -8.171 0.795 -2.788 1.00 0.00 H ATOM 347 H GLN A 150 -9.986 -4.437 -1.639 1.00 0.00 H ATOM 348 N ARG A 151 -12.007 -5.629 -5.117 1.00 15.49 N ATOM 349 CA ARG A 151 -11.981 -6.724 -6.076 1.00 18.45 C ATOM 350 C ARG A 151 -11.829 -6.102 -7.463 1.00 20.48 C ATOM 351 O ARG A 151 -12.819 -5.694 -8.076 1.00 15.50 O ATOM 352 CB ARG A 151 -13.256 -7.574 -5.993 1.00 12.16 C ATOM 353 CG ARG A 151 -13.390 -8.605 -7.129 1.00 20.17 C ATOM 354 CD ARG A 151 -14.651 -9.451 -7.014 1.00 30.14 C ATOM 355 NE ARG A 151 -14.762 -10.407 -8.115 1.00 24.53 N ATOM 356 CZ ARG A 151 -15.663 -10.321 -9.090 1.00 36.11 C ATOM 357 NH1 ARG A 151 -16.552 -9.338 -9.091 1.00 27.38 N ATOM 358 NH2 ARG A 151 -15.682 -11.228 -10.060 1.00 32.98 N ATOM 359 HE ARG A 151 -14.095 -11.204 -8.137 1.00 0.00 H ATOM 360 HH12 ARG A 151 -17.255 -9.274 -9.855 1.00 0.00 H ATOM 361 HH11 ARG A 151 -16.547 -8.631 -8.328 1.00 0.00 H ATOM 362 HH22 ARG A 151 -16.387 -11.160 -10.822 1.00 0.00 H ATOM 363 HH21 ARG A 151 -14.992 -12.006 -10.058 1.00 0.00 H ATOM 364 H ARG A 151 -12.780 -4.937 -5.180 1.00 0.00 H ATOM 365 N GLY A 152 -10.590 -6.001 -7.939 1.00 19.81 N ATOM 366 CA GLY A 152 -10.310 -5.244 -9.146 1.00 18.60 C ATOM 367 C GLY A 152 -10.775 -3.810 -8.957 1.00 23.63 C ATOM 368 O GLY A 152 -10.462 -3.181 -7.942 1.00 26.28 O ATOM 369 H GLY A 152 -9.810 -6.472 -7.438 1.00 0.00 H ATOM 370 N ASN A 153 -11.551 -3.296 -9.906 1.00 18.43 N ATOM 371 CA ASN A 153 -12.083 -1.936 -9.785 1.00 18.34 C ATOM 372 C ASN A 153 -13.263 -1.835 -8.807 1.00 18.42 C ATOM 373 O ASN A 153 -13.594 -0.750 -8.335 1.00 23.45 O ATOM 374 CB ASN A 153 -12.502 -1.406 -11.160 1.00 18.94 C ATOM 375 CG ASN A 153 -12.957 0.043 -11.115 1.00 25.73 C ATOM 376 OD1 ASN A 153 -12.163 0.948 -10.842 1.00 25.59 O ATOM 377 ND2 ASN A 153 -14.236 0.272 -11.402 1.00 22.82 N ATOM 378 HD22 ASN A 153 -14.869 -0.522 -11.626 1.00 0.00 H ATOM 379 HD21 ASN A 153 -14.603 1.245 -11.402 1.00 0.00 H ATOM 380 H ASN A 153 -11.783 -3.866 -10.744 1.00 0.00 H ATOM 381 N ASP A 154 -13.901 -2.960 -8.505 1.00 20.30 N ATOM 382 CA ASP A 154 -15.001 -2.959 -7.546 1.00 16.93 C ATOM 383 C ASP A 154 -14.494 -2.814 -6.117 1.00 17.40 C ATOM 384 O ASP A 154 -13.395 -3.254 -5.787 1.00 17.09 O ATOM 385 CB ASP A 154 -15.838 -4.231 -7.670 1.00 17.54 C ATOM 386 CG ASP A 154 -16.703 -4.240 -8.923 1.00 27.65 C ATOM 387 OD1 ASP A 154 -16.772 -3.205 -9.626 1.00 25.72 O ATOM 388 OD2 ASP A 154 -17.326 -5.282 -9.203 1.00 25.16 O ATOM 389 H ASP A 154 -13.614 -3.851 -8.957 1.00 0.00 H ATOM 390 N VAL A 155 -15.306 -2.181 -5.279 1.00 16.14 N ATOM 391 CA VAL A 155 -15.027 -2.106 -3.852 1.00 18.76 C ATOM 392 C VAL A 155 -16.015 -3.004 -3.119 1.00 17.55 C ATOM 393 O VAL A 155 -17.203 -2.685 -3.009 1.00 17.35 O ATOM 394 CB VAL A 155 -15.118 -0.658 -3.313 1.00 18.46 C ATOM 395 CG1 VAL A 155 -14.810 -0.629 -1.814 1.00 20.86 C ATOM 396 CG2 VAL A 155 -14.164 0.261 -4.084 1.00 12.69 C ATOM 397 H VAL A 155 -16.164 -1.727 -5.652 1.00 0.00 H ATOM 398 N ALA A 156 -15.523 -4.138 -2.634 1.00 14.60 N ATOM 399 CA ALA A 156 -16.375 -5.109 -1.968 1.00 14.13 C ATOM 400 C ALA A 156 -16.923 -4.538 -0.669 1.00 16.99 C ATOM 401 O ALA A 156 -18.104 -4.699 -0.349 1.00 16.00 O ATOM 402 CB ALA A 156 -15.603 -6.401 -1.699 1.00 12.41 C ATOM 403 H ALA A 156 -14.507 -4.335 -2.733 1.00 0.00 H ATOM 404 N PHE A 157 -16.048 -3.866 0.070 1.00 12.89 N ATOM 405 CA PHE A 157 -16.390 -3.350 1.385 1.00 15.89 C ATOM 406 C PHE A 157 -15.689 -2.025 1.621 1.00 17.59 C ATOM 407 O PHE A 157 -14.464 -1.969 1.739 1.00 14.79 O ATOM 408 CB PHE A 157 -16.009 -4.359 2.467 1.00 13.32 C ATOM 409 CG PHE A 157 -16.306 -3.903 3.869 1.00 17.19 C ATOM 410 CD1 PHE A 157 -17.370 -3.050 4.140 1.00 15.70 C ATOM 411 CD2 PHE A 157 -15.521 -4.348 4.927 1.00 14.44 C ATOM 412 CE1 PHE A 157 -17.634 -2.638 5.454 1.00 19.03 C ATOM 413 CE2 PHE A 157 -15.776 -3.941 6.240 1.00 16.53 C ATOM 414 CZ PHE A 157 -16.836 -3.087 6.502 1.00 15.10 C ATOM 415 H PHE A 157 -15.091 -3.704 -0.303 1.00 0.00 H ATOM 416 N HIS A 158 -16.501 -0.973 1.688 1.00 15.88 N ATOM 417 CA HIS A 158 -16.077 0.402 1.939 1.00 15.60 C ATOM 418 C HIS A 158 -16.465 0.745 3.373 1.00 16.82 C ATOM 419 O HIS A 158 -17.640 0.702 3.720 1.00 18.02 O ATOM 420 CB HIS A 158 -16.752 1.341 0.925 1.00 16.41 C ATOM 421 CG HIS A 158 -16.440 2.799 1.105 1.00 19.52 C ATOM 422 ND1 HIS A 158 -15.179 3.325 0.925 1.00 15.78 N ATOM 423 CD2 HIS A 158 -17.245 3.849 1.400 1.00 20.91 C ATOM 424 CE1 HIS A 158 -15.215 4.632 1.119 1.00 22.59 C ATOM 425 NE2 HIS A 158 -16.458 4.976 1.407 1.00 19.68 N ATOM 426 H HIS A 158 -17.518 -1.143 1.551 1.00 0.00 H ATOM 427 N PHE A 159 -15.473 1.050 4.205 1.00 12.65 N ATOM 428 CA PHE A 159 -15.690 1.354 5.618 1.00 14.33 C ATOM 429 C PHE A 159 -15.233 2.790 5.851 1.00 21.12 C ATOM 430 O PHE A 159 -14.035 3.081 5.821 1.00 18.17 O ATOM 431 CB PHE A 159 -14.928 0.362 6.504 1.00 16.46 C ATOM 432 CG PHE A 159 -14.981 0.677 7.984 1.00 16.70 C ATOM 433 CD1 PHE A 159 -16.035 0.240 8.766 1.00 18.74 C ATOM 434 CD2 PHE A 159 -13.956 1.387 8.592 1.00 15.91 C ATOM 435 CE1 PHE A 159 -16.074 0.524 10.126 1.00 21.06 C ATOM 436 CE2 PHE A 159 -13.989 1.671 9.951 1.00 17.98 C ATOM 437 CZ PHE A 159 -15.046 1.240 10.718 1.00 17.15 C ATOM 438 H PHE A 159 -14.502 1.073 3.834 1.00 0.00 H ATOM 439 N ASN A 160 -16.190 3.688 6.067 1.00 14.29 N ATOM 440 CA ASN A 160 -15.928 5.114 5.935 1.00 23.08 C ATOM 441 C ASN A 160 -16.456 5.941 7.105 1.00 19.00 C ATOM 442 O ASN A 160 -17.569 6.457 7.048 1.00 18.48 O ATOM 443 CB ASN A 160 -16.533 5.600 4.612 1.00 16.39 C ATOM 444 CG ASN A 160 -16.380 7.091 4.392 1.00 21.42 C ATOM 445 OD1 ASN A 160 -17.259 7.720 3.803 1.00 20.57 O ATOM 446 ND2 ASN A 160 -15.267 7.664 4.849 1.00 17.02 N ATOM 447 HD22 ASN A 160 -14.552 7.091 5.341 1.00 0.00 H ATOM 448 HD21 ASN A 160 -15.114 8.684 4.714 1.00 0.00 H ATOM 449 H ASN A 160 -17.142 3.366 6.335 1.00 0.00 H ATOM 450 N PRO A 161 -15.661 6.046 8.183 1.00 23.22 N ATOM 451 CA PRO A 161 -16.012 6.947 9.282 1.00 24.26 C ATOM 452 C PRO A 161 -16.021 8.392 8.808 1.00 20.83 C ATOM 453 O PRO A 161 -15.046 8.842 8.212 1.00 17.30 O ATOM 454 CB PRO A 161 -14.894 6.714 10.303 1.00 21.45 C ATOM 455 CG PRO A 161 -14.386 5.334 10.001 1.00 20.72 C ATOM 456 CD PRO A 161 -14.479 5.221 8.505 1.00 21.70 C ATOM 457 N ARG A 162 -17.117 9.096 9.052 1.00 21.47 N ATOM 458 CA ARG A 162 -17.204 10.514 8.714 1.00 23.49 C ATOM 459 C ARG A 162 -17.319 11.352 9.984 1.00 26.57 C ATOM 460 O ARG A 162 -18.207 11.122 10.807 1.00 21.73 O ATOM 461 CB ARG A 162 -18.389 10.770 7.787 1.00 20.69 C ATOM 462 CG ARG A 162 -18.241 10.090 6.441 1.00 24.40 C ATOM 463 CD ARG A 162 -19.487 10.224 5.593 1.00 32.21 C ATOM 464 NE ARG A 162 -19.350 9.477 4.346 1.00 29.74 N ATOM 465 CZ ARG A 162 -20.283 9.409 3.402 1.00 34.76 C ATOM 466 NH1 ARG A 162 -21.435 10.049 3.556 1.00 32.65 N ATOM 467 NH2 ARG A 162 -20.062 8.701 2.302 1.00 23.03 N ATOM 468 HE ARG A 162 -18.461 8.962 4.185 1.00 0.00 H ATOM 469 HH12 ARG A 162 -22.163 9.994 2.816 1.00 0.00 H ATOM 470 HH11 ARG A 162 -21.610 10.606 4.417 1.00 0.00 H ATOM 471 HH22 ARG A 162 -20.792 8.647 1.563 1.00 0.00 H ATOM 472 HH21 ARG A 162 -19.159 8.200 2.179 1.00 0.00 H ATOM 473 H ARG A 162 -17.934 8.628 9.494 1.00 0.00 H ATOM 474 N PHE A 163 -16.410 12.312 10.136 1.00 24.19 N ATOM 475 CA PHE A 163 -16.316 13.103 11.358 1.00 29.81 C ATOM 476 C PHE A 163 -17.219 14.328 11.341 1.00 34.32 C ATOM 477 O PHE A 163 -17.542 14.882 12.388 1.00 35.10 O ATOM 478 CB PHE A 163 -14.873 13.539 11.590 1.00 25.50 C ATOM 479 CG PHE A 163 -13.989 12.441 12.092 1.00 28.56 C ATOM 480 CD1 PHE A 163 -13.471 11.496 11.216 1.00 27.23 C ATOM 481 CD2 PHE A 163 -13.677 12.351 13.437 1.00 24.60 C ATOM 482 CE1 PHE A 163 -12.660 10.481 11.672 1.00 28.94 C ATOM 483 CE2 PHE A 163 -12.864 11.341 13.901 1.00 29.29 C ATOM 484 CZ PHE A 163 -12.354 10.403 13.016 1.00 31.17 C ATOM 485 H PHE A 163 -15.746 12.504 9.359 1.00 0.00 H ATOM 486 N ASN A 164 -17.615 14.756 10.151 1.00 30.11 N ATOM 487 CA ASN A 164 -18.519 15.888 10.034 1.00 36.37 C ATOM 488 C ASN A 164 -19.488 15.721 8.874 1.00 33.87 C ATOM 489 O ASN A 164 -19.280 16.263 7.792 1.00 37.20 O ATOM 490 CB ASN A 164 -17.733 17.192 9.879 1.00 35.75 C ATOM 491 CG ASN A 164 -18.619 18.421 9.994 1.00 48.92 C ATOM 492 OD1 ASN A 164 -19.792 18.320 10.351 1.00 47.84 O ATOM 493 ND2 ASN A 164 -18.059 19.589 9.691 1.00 45.38 N ATOM 494 HD22 ASN A 164 -17.063 19.627 9.394 1.00 0.00 H ATOM 495 HD21 ASN A 164 -18.617 20.465 9.752 1.00 0.00 H ATOM 496 H ASN A 164 -17.276 14.277 9.292 1.00 0.00 H ATOM 497 N GLU A 165 -20.543 14.951 9.108 1.00 28.90 N ATOM 498 CA GLU A 165 -21.664 14.896 8.184 1.00 33.59 C ATOM 499 C GLU A 165 -22.869 15.516 8.874 1.00 38.14 C ATOM 500 O GLU A 165 -23.408 14.944 9.829 1.00 34.17 O ATOM 501 CB GLU A 165 -21.973 13.461 7.746 1.00 38.20 C ATOM 502 CG GLU A 165 -23.033 13.393 6.655 1.00 37.87 C ATOM 503 CD GLU A 165 -23.510 11.984 6.371 1.00 35.96 C ATOM 504 OE1 GLU A 165 -24.164 11.384 7.250 1.00 40.14 O ATOM 505 OE2 GLU A 165 -23.240 11.478 5.263 1.00 39.75 O ATOM 506 H GLU A 165 -20.569 14.373 9.972 1.00 0.00 H ATOM 507 N ASN A 166 -23.279 16.685 8.387 1.00 32.80 N ATOM 508 CA ASN A 166 -24.327 17.478 9.023 1.00 36.62 C ATOM 509 C ASN A 166 -24.074 17.641 10.521 1.00 30.24 C ATOM 510 O ASN A 166 -24.986 17.486 11.334 1.00 31.22 O ATOM 511 CB ASN A 166 -25.703 16.850 8.780 1.00 36.99 C ATOM 512 CG ASN A 166 -26.010 16.668 7.304 1.00 56.36 C ATOM 513 OD1 ASN A 166 -26.534 15.633 6.890 1.00 54.07 O ATOM 514 ND2 ASN A 166 -25.682 17.678 6.500 1.00 56.42 N ATOM 515 HD22 ASN A 166 -25.241 18.534 6.893 1.00 0.00 H ATOM 516 HD21 ASN A 166 -25.867 17.611 5.479 1.00 0.00 H ATOM 517 H ASN A 166 -22.835 17.048 7.519 1.00 0.00 H ATOM 518 N ASN A 167 -22.824 17.939 10.868 1.00 32.30 N ATOM 519 CA ASN A 167 -22.413 18.152 12.255 1.00 41.51 C ATOM 520 C ASN A 167 -22.699 16.932 13.129 1.00 47.12 C ATOM 521 O ASN A 167 -23.051 17.058 14.306 1.00 43.75 O ATOM 522 CB ASN A 167 -23.099 19.395 12.830 1.00 39.52 C ATOM 523 CG ASN A 167 -23.087 20.561 11.863 1.00 37.37 C ATOM 524 OD1 ASN A 167 -22.047 20.908 11.300 1.00 37.06 O ATOM 525 ND2 ASN A 167 -24.252 21.160 11.649 1.00 38.18 N ATOM 526 HD22 ASN A 167 -25.104 20.833 12.147 1.00 0.00 H ATOM 527 HD21 ASN A 167 -24.313 21.957 10.983 1.00 0.00 H ATOM 528 H ASN A 167 -22.108 18.024 10.119 1.00 0.00 H ATOM 529 N ARG A 168 -22.554 15.752 12.531 1.00 37.39 N ATOM 530 CA ARG A 168 -22.690 14.486 13.242 1.00 43.83 C ATOM 531 C ARG A 168 -21.497 13.593 12.931 1.00 31.17 C ATOM 532 O ARG A 168 -20.856 13.740 11.891 1.00 28.56 O ATOM 533 CB ARG A 168 -23.981 13.761 12.851 1.00 46.78 C ATOM 534 CG ARG A 168 -25.232 14.619 12.824 1.00 48.54 C ATOM 535 CD ARG A 168 -25.817 14.798 14.207 1.00 44.25 C ATOM 536 NE ARG A 168 -27.265 14.983 14.159 1.00 52.11 N ATOM 537 CZ ARG A 168 -27.871 16.167 14.180 1.00 55.25 C ATOM 538 NH1 ARG A 168 -27.156 17.283 14.251 1.00 44.97 N ATOM 539 NH2 ARG A 168 -29.196 16.234 14.132 1.00 55.89 N ATOM 540 HE ARG A 168 -27.862 14.133 14.105 1.00 0.00 H ATOM 541 HH12 ARG A 168 -27.634 18.207 14.267 1.00 0.00 H ATOM 542 HH11 ARG A 168 -26.118 17.234 14.290 1.00 0.00 H ATOM 543 HH22 ARG A 168 -29.671 17.159 14.148 1.00 0.00 H ATOM 544 HH21 ARG A 168 -29.759 15.361 14.078 1.00 0.00 H ATOM 545 H ARG A 168 -22.335 15.732 11.515 1.00 0.00 H ATOM 546 N ARG A 169 -21.197 12.674 13.840 1.00 35.25 N ATOM 547 CA ARG A 169 -20.253 11.603 13.550 1.00 32.47 C ATOM 548 C ARG A 169 -21.040 10.413 13.030 1.00 31.89 C ATOM 549 O ARG A 169 -22.060 10.040 13.611 1.00 28.15 O ATOM 550 CB ARG A 169 -19.458 11.206 14.792 1.00 32.77 C ATOM 551 CG ARG A 169 -18.807 12.357 15.523 1.00 35.21 C ATOM 552 CD ARG A 169 -17.445 12.686 14.951 1.00 32.78 C ATOM 553 NE ARG A 169 -16.720 13.580 15.847 1.00 49.50 N ATOM 554 CZ ARG A 169 -16.846 14.901 15.837 1.00 41.36 C ATOM 555 NH1 ARG A 169 -17.661 15.472 14.963 1.00 38.74 N ATOM 556 NH2 ARG A 169 -16.154 15.647 16.691 1.00 48.83 N ATOM 557 HE ARG A 169 -16.065 13.157 16.535 1.00 0.00 H ATOM 558 HH12 ARG A 169 -17.766 16.507 14.948 1.00 0.00 H ATOM 559 HH11 ARG A 169 -18.196 14.886 14.291 1.00 0.00 H ATOM 560 HH22 ARG A 169 -16.256 16.682 16.679 1.00 0.00 H ATOM 561 HH21 ARG A 169 -15.510 15.196 17.372 1.00 0.00 H ATOM 562 H ARG A 169 -21.645 12.719 14.778 1.00 0.00 H ATOM 563 N VAL A 170 -20.580 9.816 11.938 1.00 34.01 N ATOM 564 CA VAL A 170 -21.256 8.643 11.402 1.00 28.45 C ATOM 565 C VAL A 170 -20.278 7.742 10.647 1.00 24.03 C ATOM 566 O VAL A 170 -19.307 8.205 10.050 1.00 25.28 O ATOM 567 CB VAL A 170 -22.431 9.048 10.473 1.00 24.65 C ATOM 568 CG1 VAL A 170 -21.917 9.568 9.137 1.00 26.39 C ATOM 569 CG2 VAL A 170 -23.381 7.878 10.266 1.00 37.34 C ATOM 570 H VAL A 170 -19.733 10.188 11.463 1.00 0.00 H ATOM 571 N ILE A 171 -20.523 6.444 10.698 1.00 26.45 N ATOM 572 CA ILE A 171 -19.767 5.521 9.869 1.00 27.14 C ATOM 573 C ILE A 171 -20.651 5.026 8.735 1.00 23.65 C ATOM 574 O ILE A 171 -21.749 4.527 8.966 1.00 21.83 O ATOM 575 CB ILE A 171 -19.230 4.336 10.685 1.00 24.41 C ATOM 576 CG1 ILE A 171 -18.216 4.842 11.714 1.00 24.34 C ATOM 577 CG2 ILE A 171 -18.586 3.303 9.762 1.00 26.01 C ATOM 578 CD1 ILE A 171 -17.771 3.802 12.710 1.00 25.48 C ATOM 579 H ILE A 171 -21.261 6.082 11.335 1.00 0.00 H ATOM 580 N VAL A 172 -20.171 5.189 7.507 1.00 20.25 N ATOM 581 CA VAL A 172 -20.907 4.735 6.343 1.00 25.00 C ATOM 582 C VAL A 172 -20.229 3.506 5.754 1.00 18.66 C ATOM 583 O VAL A 172 -19.014 3.492 5.568 1.00 19.25 O ATOM 584 CB VAL A 172 -21.013 5.831 5.267 1.00 23.50 C ATOM 585 CG1 VAL A 172 -21.649 5.266 4.007 1.00 19.98 C ATOM 586 CG2 VAL A 172 -21.813 7.021 5.793 1.00 24.98 C ATOM 587 H VAL A 172 -19.249 5.652 7.378 1.00 0.00 H ATOM 588 N CYS A 173 -21.025 2.476 5.484 1.00 20.64 N ATOM 589 CA CYS A 173 -20.533 1.267 4.835 1.00 20.26 C ATOM 590 C CYS A 173 -21.281 1.013 3.533 1.00 20.62 C ATOM 591 O CYS A 173 -22.498 1.178 3.461 1.00 24.34 O ATOM 592 CB CYS A 173 -20.668 0.064 5.765 1.00 18.45 C ATOM 593 SG CYS A 173 -19.608 0.163 7.220 1.00 22.17 S ATOM 594 H CYS A 173 -22.030 2.535 5.744 1.00 0.00 H ATOM 595 N ASN A 174 -20.550 0.608 2.502 1.00 17.70 N ATOM 596 CA ASN A 174 -21.158 0.395 1.198 1.00 20.70 C ATOM 597 C ASN A 174 -20.297 -0.477 0.300 1.00 20.65 C ATOM 598 O ASN A 174 -19.182 -0.859 0.656 1.00 15.27 O ATOM 599 CB ASN A 174 -21.424 1.738 0.510 1.00 18.48 C ATOM 600 CG ASN A 174 -22.599 1.684 -0.449 1.00 23.90 C ATOM 601 OD1 ASN A 174 -23.100 0.609 -0.781 1.00 20.30 O ATOM 602 ND2 ASN A 174 -23.037 2.849 -0.908 1.00 22.39 N ATOM 603 HD22 ASN A 174 -22.583 3.733 -0.600 1.00 0.00 H ATOM 604 HD21 ASN A 174 -23.834 2.878 -1.576 1.00 0.00 H ATOM 605 H ASN A 174 -19.531 0.441 2.628 1.00 0.00 H ATOM 606 N THR A 175 -20.833 -0.777 -0.875 1.00 14.77 N ATOM 607 CA THR A 175 -20.158 -1.594 -1.865 1.00 17.93 C ATOM 608 C THR A 175 -20.247 -0.869 -3.196 1.00 17.35 C ATOM 609 O THR A 175 -21.272 -0.266 -3.512 1.00 18.32 O ATOM 610 CB THR A 175 -20.790 -3.003 -1.950 1.00 14.73 C ATOM 611 OG1 THR A 175 -20.462 -3.735 -0.765 1.00 14.15 O ATOM 612 CG2 THR A 175 -20.294 -3.772 -3.175 1.00 15.02 C ATOM 613 HG1 THR A 175 -20.864 -4.638 -0.814 1.00 0.00 H ATOM 614 H THR A 175 -21.780 -0.410 -1.097 1.00 0.00 H ATOM 615 N LYS A 176 -19.170 -0.908 -3.965 1.00 15.45 N ATOM 616 CA LYS A 176 -19.146 -0.251 -5.266 1.00 20.59 C ATOM 617 C LYS A 176 -18.974 -1.281 -6.371 1.00 18.44 C ATOM 618 O LYS A 176 -17.967 -1.990 -6.418 1.00 20.97 O ATOM 619 CB LYS A 176 -18.024 0.780 -5.330 1.00 17.63 C ATOM 620 CG LYS A 176 -18.032 1.664 -6.578 1.00 19.58 C ATOM 621 CD LYS A 176 -16.807 2.579 -6.565 1.00 27.71 C ATOM 622 CE LYS A 176 -17.042 3.858 -7.343 1.00 40.64 C ATOM 623 NZ LYS A 176 -15.881 4.783 -7.191 1.00 49.38 N ATOM 624 HZ1 LYS A 176 -15.755 5.017 -6.185 1.00 0.00 H ATOM 625 HZ2 LYS A 176 -15.022 4.321 -7.551 1.00 0.00 H ATOM 626 HZ3 LYS A 176 -16.060 5.654 -7.731 1.00 0.00 H ATOM 627 H LYS A 176 -18.325 -1.417 -3.635 1.00 0.00 H ATOM 628 N LEU A 177 -19.960 -1.357 -7.256 1.00 20.75 N ATOM 629 CA LEU A 177 -19.966 -2.347 -8.329 1.00 25.20 C ATOM 630 C LEU A 177 -20.130 -1.660 -9.680 1.00 27.09 C ATOM 631 O LEU A 177 -21.101 -0.936 -9.897 1.00 25.12 O ATOM 632 CB LEU A 177 -21.086 -3.365 -8.107 1.00 21.61 C ATOM 633 CG LEU A 177 -20.986 -4.184 -6.816 1.00 27.90 C ATOM 634 CD1 LEU A 177 -22.286 -4.935 -6.535 1.00 22.57 C ATOM 635 CD2 LEU A 177 -19.809 -5.158 -6.891 1.00 21.42 C ATOM 636 H LEU A 177 -20.754 -0.690 -7.183 1.00 0.00 H ATOM 637 N ASP A 178 -19.170 -1.880 -10.575 1.00 23.38 N ATOM 638 CA ASP A 178 -19.181 -1.269 -11.903 1.00 30.08 C ATOM 639 C ASP A 178 -19.336 0.251 -11.826 1.00 31.42 C ATOM 640 O ASP A 178 -20.181 0.828 -12.508 1.00 29.47 O ATOM 641 CB ASP A 178 -20.300 -1.871 -12.764 1.00 32.13 C ATOM 642 CG ASP A 178 -20.086 -3.350 -13.059 1.00 36.83 C ATOM 643 OD1 ASP A 178 -18.919 -3.784 -13.169 1.00 40.75 O ATOM 644 OD2 ASP A 178 -21.089 -4.082 -13.188 1.00 44.26 O ATOM 645 H ASP A 178 -18.383 -2.510 -10.320 1.00 0.00 H ATOM 646 N ASN A 179 -18.523 0.870 -10.971 1.00 32.26 N ATOM 647 CA ASN A 179 -18.493 2.320 -10.745 1.00 34.50 C ATOM 648 C ASN A 179 -19.746 2.902 -10.077 1.00 33.98 C ATOM 649 O ASN A 179 -19.885 4.119 -9.985 1.00 41.09 O ATOM 650 CB ASN A 179 -18.236 3.062 -12.065 1.00 41.05 C ATOM 651 CG ASN A 179 -16.828 3.631 -12.154 1.00 39.43 C ATOM 652 OD1 ASN A 179 -15.893 3.108 -11.544 1.00 43.35 O ATOM 653 ND2 ASN A 179 -16.672 4.711 -12.917 1.00 42.01 N ATOM 654 HD22 ASN A 179 -17.489 5.119 -13.414 1.00 0.00 H ATOM 655 HD21 ASN A 179 -15.733 5.146 -13.016 1.00 0.00 H ATOM 656 H ASN A 179 -17.861 0.283 -10.424 1.00 0.00 H ATOM 657 N ASN A 180 -20.646 2.049 -9.602 1.00 27.90 N ATOM 658 CA ASN A 180 -21.841 2.530 -8.916 1.00 27.05 C ATOM 659 C ASN A 180 -21.902 2.104 -7.454 1.00 31.66 C ATOM 660 O ASN A 180 -21.817 0.914 -7.148 1.00 25.12 O ATOM 661 CB ASN A 180 -23.094 2.044 -9.639 1.00 34.20 C ATOM 662 CG ASN A 180 -23.213 2.613 -11.035 1.00 38.11 C ATOM 663 OD1 ASN A 180 -23.307 1.871 -12.012 1.00 49.68 O ATOM 664 ND2 ASN A 180 -23.205 3.936 -11.137 1.00 31.39 N ATOM 665 HD22 ASN A 180 -23.124 4.523 -10.282 1.00 0.00 H ATOM 666 HD21 ASN A 180 -23.280 4.386 -12.072 1.00 0.00 H ATOM 667 H ASN A 180 -20.498 1.026 -9.720 1.00 0.00 H ATOM 668 N TRP A 181 -22.045 3.075 -6.554 1.00 26.54 N ATOM 669 CA TRP A 181 -22.246 2.771 -5.141 1.00 26.64 C ATOM 670 C TRP A 181 -23.627 2.162 -4.928 1.00 25.81 C ATOM 671 O TRP A 181 -24.572 2.477 -5.656 1.00 31.88 O ATOM 672 CB TRP A 181 -22.076 4.027 -4.278 1.00 21.82 C ATOM 673 CG TRP A 181 -20.657 4.486 -4.159 1.00 22.84 C ATOM 674 CD1 TRP A 181 -20.102 5.594 -4.738 1.00 27.92 C ATOM 675 CD2 TRP A 181 -19.603 3.849 -3.422 1.00 21.29 C ATOM 676 NE1 TRP A 181 -18.772 5.686 -4.401 1.00 29.51 N ATOM 677 CE2 TRP A 181 -18.442 4.629 -3.594 1.00 22.28 C ATOM 678 CE3 TRP A 181 -19.531 2.694 -2.634 1.00 22.65 C ATOM 679 CZ2 TRP A 181 -17.220 4.293 -3.006 1.00 21.21 C ATOM 680 CZ3 TRP A 181 -18.315 2.362 -2.050 1.00 22.60 C ATOM 681 CH2 TRP A 181 -17.177 3.159 -2.242 1.00 17.46 C ATOM 682 HE1 TRP A 181 -18.122 6.437 -4.709 1.00 0.00 H ATOM 683 H TRP A 181 -22.013 4.067 -6.864 1.00 0.00 H ATOM 684 N GLY A 182 -23.737 1.281 -3.937 1.00 23.89 N ATOM 685 CA GLY A 182 -24.993 0.627 -3.627 1.00 21.63 C ATOM 686 C GLY A 182 -25.702 1.302 -2.472 1.00 22.34 C ATOM 687 O GLY A 182 -25.482 2.485 -2.206 1.00 23.80 O ATOM 688 H GLY A 182 -22.897 1.055 -3.368 1.00 0.00 H ATOM 689 N ARG A 183 -26.555 0.557 -1.777 1.00 23.73 N ATOM 690 CA ARG A 183 -27.285 1.126 -0.653 1.00 29.48 C ATOM 691 C ARG A 183 -26.387 1.196 0.582 1.00 28.98 C ATOM 692 O ARG A 183 -25.713 0.227 0.947 1.00 21.01 O ATOM 693 CB ARG A 183 -28.562 0.326 -0.362 1.00 28.79 C ATOM 694 CG ARG A 183 -28.331 -1.049 0.218 1.00 45.54 C ATOM 695 CD ARG A 183 -29.515 -1.525 1.053 1.00 50.98 C ATOM 696 NE ARG A 183 -29.074 -2.424 2.117 1.00 49.05 N ATOM 697 CZ ARG A 183 -28.697 -3.685 1.926 1.00 54.86 C ATOM 698 NH1 ARG A 183 -28.707 -4.212 0.706 1.00 52.44 N ATOM 699 NH2 ARG A 183 -28.307 -4.423 2.958 1.00 53.91 N ATOM 700 HE ARG A 183 -29.054 -2.053 3.088 1.00 0.00 H ATOM 701 HH12 ARG A 183 -28.411 -5.199 0.563 1.00 0.00 H ATOM 702 HH11 ARG A 183 -29.011 -3.638 -0.106 1.00 0.00 H ATOM 703 HH22 ARG A 183 -28.012 -5.409 2.810 1.00 0.00 H ATOM 704 HH21 ARG A 183 -28.296 -4.015 3.915 1.00 0.00 H ATOM 705 H ARG A 183 -26.702 -0.439 -2.038 1.00 0.00 H ATOM 706 N GLU A 184 -26.366 2.364 1.213 1.00 26.07 N ATOM 707 CA GLU A 184 -25.489 2.584 2.351 1.00 24.02 C ATOM 708 C GLU A 184 -26.007 1.884 3.597 1.00 26.43 C ATOM 709 O GLU A 184 -27.210 1.734 3.783 1.00 28.81 O ATOM 710 CB GLU A 184 -25.321 4.083 2.613 1.00 25.19 C ATOM 711 CG GLU A 184 -24.584 4.815 1.503 1.00 27.61 C ATOM 712 CD GLU A 184 -24.306 6.270 1.839 1.00 30.92 C ATOM 713 OE1 GLU A 184 -24.927 6.788 2.788 1.00 32.64 O ATOM 714 OE2 GLU A 184 -23.459 6.893 1.163 1.00 34.47 O ATOM 715 H GLU A 184 -26.986 3.133 0.888 1.00 0.00 H ATOM 716 N GLU A 185 -25.080 1.433 4.435 1.00 23.01 N ATOM 717 CA GLU A 185 -25.407 0.934 5.762 1.00 26.95 C ATOM 718 C GLU A 185 -24.702 1.834 6.767 1.00 27.62 C ATOM 719 O GLU A 185 -23.488 2.023 6.696 1.00 32.15 O ATOM 720 CB GLU A 185 -24.993 -0.535 5.924 1.00 25.12 C ATOM 721 CG GLU A 185 -25.726 -1.468 4.966 1.00 23.68 C ATOM 722 CD GLU A 185 -25.355 -2.934 5.137 1.00 32.22 C ATOM 723 OE1 GLU A 185 -24.919 -3.324 6.243 1.00 27.33 O ATOM 724 OE2 GLU A 185 -25.505 -3.698 4.155 1.00 29.70 O ATOM 725 H GLU A 185 -24.085 1.437 4.132 1.00 0.00 H ATOM 726 N ARG A 186 -25.469 2.409 7.686 1.00 26.34 N ATOM 727 CA ARG A 186 -24.941 3.433 8.582 1.00 26.92 C ATOM 728 C ARG A 186 -24.936 3.010 10.047 1.00 31.44 C ATOM 729 O ARG A 186 -25.906 2.448 10.550 1.00 27.90 O ATOM 730 CB ARG A 186 -25.736 4.733 8.411 1.00 22.49 C ATOM 731 CG ARG A 186 -25.369 5.478 7.133 1.00 29.87 C ATOM 732 CD ARG A 186 -26.380 6.546 6.747 1.00 30.21 C ATOM 733 NE ARG A 186 -25.901 7.314 5.601 1.00 36.39 N ATOM 734 CZ ARG A 186 -25.280 8.485 5.696 1.00 36.60 C ATOM 735 NH1 ARG A 186 -25.086 9.032 6.888 1.00 35.18 N ATOM 736 NH2 ARG A 186 -24.862 9.112 4.603 1.00 28.16 N ATOM 737 HE ARG A 186 -26.056 6.920 4.651 1.00 0.00 H ATOM 738 HH12 ARG A 186 -24.600 9.948 6.967 1.00 0.00 H ATOM 739 HH11 ARG A 186 -25.419 8.545 7.744 1.00 0.00 H ATOM 740 HH22 ARG A 186 -24.376 10.028 4.683 1.00 0.00 H ATOM 741 HH21 ARG A 186 -25.020 8.687 3.667 1.00 0.00 H ATOM 742 H ARG A 186 -26.466 2.124 7.769 1.00 0.00 H ATOM 743 N GLN A 187 -23.819 3.286 10.713 1.00 26.14 N ATOM 744 CA GLN A 187 -23.644 3.020 12.132 1.00 25.02 C ATOM 745 C GLN A 187 -23.340 4.328 12.865 1.00 36.08 C ATOM 746 O GLN A 187 -22.303 4.952 12.626 1.00 30.50 O ATOM 747 CB GLN A 187 -22.514 2.012 12.350 1.00 30.49 C ATOM 748 CG GLN A 187 -22.057 1.877 13.791 1.00 31.07 C ATOM 749 CD GLN A 187 -23.129 1.289 14.688 1.00 34.76 C ATOM 750 OE1 GLN A 187 -23.954 2.012 15.244 1.00 38.16 O ATOM 751 NE2 GLN A 187 -23.119 -0.031 14.836 1.00 40.26 N ATOM 752 HE22 GLN A 187 -22.402 -0.604 14.346 1.00 0.00 H ATOM 753 HE21 GLN A 187 -23.828 -0.492 15.442 1.00 0.00 H ATOM 754 H GLN A 187 -23.028 3.715 10.191 1.00 0.00 H ATOM 755 N SER A 188 -24.239 4.748 13.752 1.00 33.47 N ATOM 756 CA SER A 188 -24.059 6.017 14.454 1.00 36.76 C ATOM 757 C SER A 188 -23.134 5.891 15.669 1.00 32.43 C ATOM 758 O SER A 188 -22.624 6.894 16.167 1.00 38.61 O ATOM 759 CB SER A 188 -25.413 6.589 14.877 1.00 32.19 C ATOM 760 OG SER A 188 -26.073 5.726 15.783 1.00 48.28 O ATOM 761 HG SER A 188 -26.944 6.121 16.038 1.00 0.00 H ATOM 762 H SER A 188 -25.079 4.167 13.948 1.00 0.00 H ATOM 763 N VAL A 189 -22.922 4.668 16.148 1.00 27.56 N ATOM 764 CA VAL A 189 -21.902 4.425 17.167 1.00 26.50 C ATOM 765 C VAL A 189 -20.537 4.734 16.555 1.00 32.28 C ATOM 766 O VAL A 189 -20.143 4.127 15.561 1.00 30.25 O ATOM 767 CB VAL A 189 -21.942 2.974 17.700 1.00 37.12 C ATOM 768 CG1 VAL A 189 -20.771 2.704 18.649 1.00 26.45 C ATOM 769 CG2 VAL A 189 -23.265 2.704 18.403 1.00 36.63 C ATOM 770 H VAL A 189 -23.490 3.873 15.792 1.00 0.00 H ATOM 771 N PHE A 190 -19.826 5.688 17.146 1.00 27.15 N ATOM 772 CA PHE A 190 -18.621 6.244 16.541 1.00 24.51 C ATOM 773 C PHE A 190 -17.465 6.225 17.535 1.00 29.45 C ATOM 774 O PHE A 190 -17.365 7.102 18.388 1.00 31.99 O ATOM 775 CB PHE A 190 -18.901 7.673 16.059 1.00 22.08 C ATOM 776 CG PHE A 190 -17.858 8.229 15.134 1.00 26.51 C ATOM 777 CD1 PHE A 190 -16.767 8.924 15.633 1.00 26.21 C ATOM 778 CD2 PHE A 190 -17.982 8.082 13.760 1.00 25.84 C ATOM 779 CE1 PHE A 190 -15.808 9.449 14.778 1.00 26.26 C ATOM 780 CE2 PHE A 190 -17.028 8.607 12.898 1.00 26.90 C ATOM 781 CZ PHE A 190 -15.939 9.290 13.409 1.00 26.71 C ATOM 782 H PHE A 190 -20.139 6.050 18.070 1.00 0.00 H ATOM 783 N PRO A 191 -16.586 5.218 17.436 1.00 25.85 N ATOM 784 CA PRO A 191 -15.543 5.033 18.449 1.00 24.19 C ATOM 785 C PRO A 191 -14.219 5.711 18.112 1.00 26.56 C ATOM 786 O PRO A 191 -13.242 5.512 18.830 1.00 37.03 O ATOM 787 CB PRO A 191 -15.376 3.508 18.496 1.00 29.13 C ATOM 788 CG PRO A 191 -15.936 2.995 17.173 1.00 27.61 C ATOM 789 CD PRO A 191 -16.568 4.143 16.432 1.00 30.42 C ATOM 790 N PHE A 192 -14.183 6.496 17.041 1.00 25.88 N ATOM 791 CA PHE A 192 -12.979 7.240 16.699 1.00 24.70 C ATOM 792 C PHE A 192 -13.039 8.646 17.288 1.00 33.41 C ATOM 793 O PHE A 192 -14.107 9.244 17.397 1.00 31.59 O ATOM 794 CB PHE A 192 -12.790 7.325 15.183 1.00 22.53 C ATOM 795 CG PHE A 192 -12.758 5.989 14.498 1.00 20.39 C ATOM 796 CD1 PHE A 192 -11.577 5.264 14.416 1.00 20.20 C ATOM 797 CD2 PHE A 192 -13.909 5.460 13.932 1.00 17.42 C ATOM 798 CE1 PHE A 192 -11.545 4.027 13.782 1.00 18.95 C ATOM 799 CE2 PHE A 192 -13.885 4.228 13.298 1.00 20.56 C ATOM 800 CZ PHE A 192 -12.701 3.511 13.222 1.00 16.94 C ATOM 801 H PHE A 192 -15.026 6.580 16.438 1.00 0.00 H ATOM 802 N GLU A 193 -11.883 9.168 17.676 1.00 28.45 N ATOM 803 CA GLU A 193 -11.787 10.533 18.180 1.00 32.33 C ATOM 804 C GLU A 193 -10.539 11.193 17.625 1.00 30.16 C ATOM 805 O GLU A 193 -9.465 10.595 17.604 1.00 24.16 O ATOM 806 CB GLU A 193 -11.776 10.556 19.718 1.00 35.46 C ATOM 807 CG GLU A 193 -12.835 9.668 20.370 1.00 35.81 C ATOM 808 CD GLU A 193 -12.360 8.994 21.654 1.00 55.82 C ATOM 809 OE1 GLU A 193 -12.050 7.781 21.621 1.00 55.00 O ATOM 810 OE2 GLU A 193 -12.314 9.674 22.700 1.00 54.53 O ATOM 811 H GLU A 193 -11.022 8.588 17.619 1.00 0.00 H ATOM 812 N SER A 194 -10.696 12.427 17.165 1.00 23.73 N ATOM 813 CA SER A 194 -9.595 13.172 16.582 1.00 31.19 C ATOM 814 C SER A 194 -8.417 13.258 17.552 1.00 32.69 C ATOM 815 O SER A 194 -8.602 13.485 18.752 1.00 25.72 O ATOM 816 CB SER A 194 -10.068 14.568 16.173 1.00 36.80 C ATOM 817 OG SER A 194 -8.969 15.424 15.938 1.00 45.74 O ATOM 818 HG SER A 194 -8.411 15.051 15.210 1.00 0.00 H ATOM 819 H SER A 194 -11.634 12.873 17.224 1.00 0.00 H ATOM 820 N GLY A 195 -7.213 13.030 17.033 1.00 26.76 N ATOM 821 CA GLY A 195 -6.005 13.119 17.833 1.00 25.88 C ATOM 822 C GLY A 195 -5.630 11.848 18.574 1.00 23.75 C ATOM 823 O GLY A 195 -4.515 11.737 19.083 1.00 28.09 O ATOM 824 H GLY A 195 -7.135 12.781 16.026 1.00 0.00 H ATOM 825 N LYS A 196 -6.542 10.880 18.625 1.00 22.30 N ATOM 826 CA LYS A 196 -6.349 9.702 19.473 1.00 21.10 C ATOM 827 C LYS A 196 -5.989 8.425 18.704 1.00 23.66 C ATOM 828 O LYS A 196 -6.455 8.214 17.585 1.00 20.20 O ATOM 829 CB LYS A 196 -7.609 9.451 20.302 1.00 25.69 C ATOM 830 CG LYS A 196 -7.909 10.521 21.345 1.00 25.95 C ATOM 831 CD LYS A 196 -9.006 10.029 22.280 1.00 31.27 C ATOM 832 CE LYS A 196 -9.448 11.090 23.274 1.00 35.95 C ATOM 833 NZ LYS A 196 -10.262 10.482 24.375 1.00 30.26 N ATOM 834 HZ1 LYS A 196 -11.106 10.028 23.971 1.00 0.00 H ATOM 835 HZ2 LYS A 196 -9.691 9.771 24.875 1.00 0.00 H ATOM 836 HZ3 LYS A 196 -10.552 11.226 25.041 1.00 0.00 H ATOM 837 H LYS A 196 -7.407 10.962 18.053 1.00 0.00 H ATOM 838 N PRO A 197 -5.166 7.557 19.319 1.00 23.94 N ATOM 839 CA PRO A 197 -4.804 6.281 18.691 1.00 20.15 C ATOM 840 C PRO A 197 -5.983 5.312 18.638 1.00 18.68 C ATOM 841 O PRO A 197 -6.837 5.319 19.525 1.00 20.35 O ATOM 842 CB PRO A 197 -3.688 5.747 19.594 1.00 21.63 C ATOM 843 CG PRO A 197 -3.948 6.382 20.924 1.00 22.65 C ATOM 844 CD PRO A 197 -4.489 7.746 20.615 1.00 20.27 C ATOM 845 N PHE A 198 -6.029 4.495 17.591 1.00 18.56 N ATOM 846 CA PHE A 198 -7.092 3.518 17.435 1.00 15.88 C ATOM 847 C PHE A 198 -6.546 2.175 16.964 1.00 20.50 C ATOM 848 O PHE A 198 -5.436 2.092 16.433 1.00 19.57 O ATOM 849 CB PHE A 198 -8.140 4.015 16.440 1.00 21.48 C ATOM 850 CG PHE A 198 -7.610 4.174 15.035 1.00 21.59 C ATOM 851 CD1 PHE A 198 -7.538 3.087 14.171 1.00 24.68 C ATOM 852 CD2 PHE A 198 -7.184 5.408 14.580 1.00 25.69 C ATOM 853 CE1 PHE A 198 -7.042 3.233 12.890 1.00 22.14 C ATOM 854 CE2 PHE A 198 -6.694 5.560 13.297 1.00 24.57 C ATOM 855 CZ PHE A 198 -6.624 4.472 12.452 1.00 23.45 C ATOM 856 H PHE A 198 -5.286 4.557 16.866 1.00 0.00 H ATOM 857 N LYS A 199 -7.348 1.132 17.149 1.00 18.48 N ATOM 858 CA LYS A 199 -7.100 -0.165 16.528 1.00 22.44 C ATOM 859 C LYS A 199 -8.375 -0.626 15.836 1.00 21.08 C ATOM 860 O LYS A 199 -9.425 -0.732 16.467 1.00 22.10 O ATOM 861 CB LYS A 199 -6.646 -1.210 17.554 1.00 21.60 C ATOM 862 CG LYS A 199 -6.448 -2.614 16.960 1.00 22.54 C ATOM 863 CD LYS A 199 -5.918 -3.607 17.998 1.00 26.73 C ATOM 864 CE LYS A 199 -6.802 -3.648 19.239 1.00 33.25 C ATOM 865 NZ LYS A 199 -6.208 -4.473 20.334 1.00 35.00 N ATOM 866 HZ1 LYS A 199 -6.078 -5.449 19.999 1.00 0.00 H ATOM 867 HZ2 LYS A 199 -5.288 -4.073 20.607 1.00 0.00 H ATOM 868 HZ3 LYS A 199 -6.847 -4.469 21.155 1.00 0.00 H ATOM 869 H LYS A 199 -8.183 1.244 17.759 1.00 0.00 H ATOM 870 N ILE A 200 -8.286 -0.863 14.532 1.00 19.88 N ATOM 871 CA ILE A 200 -9.394 -1.434 13.776 1.00 17.47 C ATOM 872 C ILE A 200 -9.082 -2.888 13.478 1.00 23.10 C ATOM 873 O ILE A 200 -8.027 -3.193 12.927 1.00 18.01 O ATOM 874 CB ILE A 200 -9.647 -0.697 12.437 1.00 20.88 C ATOM 875 CG1 ILE A 200 -9.897 0.793 12.668 1.00 18.92 C ATOM 876 CG2 ILE A 200 -10.829 -1.325 11.684 1.00 17.02 C ATOM 877 CD1 ILE A 200 -9.979 1.599 11.382 1.00 15.68 C ATOM 878 H ILE A 200 -7.401 -0.635 14.036 1.00 0.00 H ATOM 879 N GLN A 201 -9.990 -3.782 13.852 1.00 16.91 N ATOM 880 CA GLN A 201 -9.848 -5.191 13.509 1.00 21.95 C ATOM 881 C GLN A 201 -10.991 -5.625 12.614 1.00 20.17 C ATOM 882 O GLN A 201 -12.161 -5.432 12.949 1.00 17.25 O ATOM 883 CB GLN A 201 -9.798 -6.055 14.765 1.00 22.31 C ATOM 884 CG GLN A 201 -8.500 -5.923 15.528 1.00 24.83 C ATOM 885 CD GLN A 201 -8.545 -6.616 16.870 1.00 34.39 C ATOM 886 OE1 GLN A 201 -9.453 -6.384 17.676 1.00 30.27 O ATOM 887 NE2 GLN A 201 -7.563 -7.472 17.122 1.00 38.01 N ATOM 888 HE22 GLN A 201 -6.820 -7.635 16.413 1.00 0.00 H ATOM 889 HE21 GLN A 201 -7.536 -7.980 18.029 1.00 0.00 H ATOM 890 H GLN A 201 -10.818 -3.471 14.400 1.00 0.00 H ATOM 891 N VAL A 202 -10.643 -6.190 11.462 1.00 14.93 N ATOM 892 CA VAL A 202 -11.640 -6.736 10.560 1.00 16.42 C ATOM 893 C VAL A 202 -11.467 -8.247 10.494 1.00 18.44 C ATOM 894 O VAL A 202 -10.447 -8.752 10.018 1.00 17.44 O ATOM 895 CB VAL A 202 -11.539 -6.131 9.145 1.00 16.43 C ATOM 896 CG1 VAL A 202 -12.712 -6.597 8.294 1.00 17.03 C ATOM 897 CG2 VAL A 202 -11.501 -4.610 9.218 1.00 18.14 C ATOM 898 H VAL A 202 -9.637 -6.242 11.202 1.00 0.00 H ATOM 899 N LEU A 203 -12.460 -8.963 11.003 1.00 15.77 N ATOM 900 CA LEU A 203 -12.445 -10.415 10.958 1.00 19.20 C ATOM 901 C LEU A 203 -13.343 -10.882 9.825 1.00 17.81 C ATOM 902 O LEU A 203 -14.527 -10.546 9.784 1.00 19.14 O ATOM 903 CB LEU A 203 -12.902 -11.012 12.290 1.00 20.79 C ATOM 904 CG LEU A 203 -12.943 -12.543 12.326 1.00 23.21 C ATOM 905 CD1 LEU A 203 -11.585 -13.119 11.968 1.00 21.06 C ATOM 906 CD2 LEU A 203 -13.389 -13.034 13.696 1.00 31.12 C ATOM 907 H LEU A 203 -13.266 -8.475 11.443 1.00 0.00 H ATOM 908 N VAL A 204 -12.770 -11.638 8.895 1.00 18.12 N ATOM 909 CA VAL A 204 -13.541 -12.196 7.795 1.00 17.69 C ATOM 910 C VAL A 204 -14.295 -13.433 8.271 1.00 19.90 C ATOM 911 O VAL A 204 -13.694 -14.390 8.757 1.00 19.57 O ATOM 912 CB VAL A 204 -12.653 -12.566 6.600 1.00 18.68 C ATOM 913 CG1 VAL A 204 -13.523 -12.992 5.415 1.00 16.72 C ATOM 914 CG2 VAL A 204 -11.754 -11.398 6.216 1.00 14.72 C ATOM 915 H VAL A 204 -11.751 -11.835 8.955 1.00 0.00 H ATOM 916 N GLU A 205 -15.615 -13.396 8.151 1.00 20.43 N ATOM 917 CA GLU A 205 -16.460 -14.531 8.505 1.00 20.38 C ATOM 918 C GLU A 205 -17.052 -15.121 7.221 1.00 18.36 C ATOM 919 O GLU A 205 -16.925 -14.522 6.157 1.00 19.33 O ATOM 920 CB GLU A 205 -17.562 -14.099 9.479 1.00 22.77 C ATOM 921 CG GLU A 205 -17.034 -13.544 10.800 1.00 28.11 C ATOM 922 CD GLU A 205 -17.384 -14.424 11.984 1.00 44.77 C ATOM 923 OE1 GLU A 205 -16.550 -15.274 12.365 1.00 42.22 O ATOM 924 OE2 GLU A 205 -18.494 -14.260 12.536 1.00 50.60 O ATOM 925 H GLU A 205 -16.063 -12.529 7.792 1.00 0.00 H ATOM 926 N PRO A 206 -17.680 -16.304 7.307 1.00 24.79 N ATOM 927 CA PRO A 206 -18.268 -16.850 6.078 1.00 20.53 C ATOM 928 C PRO A 206 -19.308 -15.940 5.423 1.00 24.03 C ATOM 929 O PRO A 206 -19.391 -15.919 4.195 1.00 19.06 O ATOM 930 CB PRO A 206 -18.916 -18.154 6.558 1.00 26.20 C ATOM 931 CG PRO A 206 -18.036 -18.592 7.685 1.00 22.76 C ATOM 932 CD PRO A 206 -17.654 -17.306 8.393 1.00 26.84 C ATOM 933 N ASP A 207 -20.077 -15.192 6.210 1.00 17.95 N ATOM 934 CA ASP A 207 -21.142 -14.379 5.630 1.00 20.52 C ATOM 935 C ASP A 207 -20.979 -12.885 5.866 1.00 18.46 C ATOM 936 O ASP A 207 -21.731 -12.081 5.311 1.00 18.36 O ATOM 937 CB ASP A 207 -22.494 -14.845 6.163 1.00 18.74 C ATOM 938 CG ASP A 207 -22.826 -16.257 5.714 1.00 26.42 C ATOM 939 OD1 ASP A 207 -22.613 -16.561 4.518 1.00 25.11 O ATOM 940 OD2 ASP A 207 -23.271 -17.068 6.553 1.00 27.19 O ATOM 941 H ASP A 207 -19.920 -15.186 7.238 1.00 0.00 H ATOM 942 N HIS A 208 -19.985 -12.512 6.665 1.00 15.48 N ATOM 943 CA HIS A 208 -19.815 -11.110 7.037 1.00 20.54 C ATOM 944 C HIS A 208 -18.361 -10.690 7.172 1.00 19.92 C ATOM 945 O HIS A 208 -17.488 -11.511 7.462 1.00 17.44 O ATOM 946 CB HIS A 208 -20.510 -10.807 8.378 1.00 21.78 C ATOM 947 CG HIS A 208 -21.970 -11.131 8.403 1.00 32.36 C ATOM 948 ND1 HIS A 208 -22.451 -12.358 8.808 1.00 25.66 N ATOM 949 CD2 HIS A 208 -23.055 -10.383 8.091 1.00 34.99 C ATOM 950 CE1 HIS A 208 -23.770 -12.357 8.726 1.00 29.12 C ATOM 951 NE2 HIS A 208 -24.163 -11.172 8.295 1.00 32.48 N ATOM 952 H HIS A 208 -19.322 -13.225 7.029 1.00 0.00 H ATOM 953 N PHE A 209 -18.116 -9.396 6.967 1.00 16.65 N ATOM 954 CA PHE A 209 -16.963 -8.742 7.573 1.00 16.57 C ATOM 955 C PHE A 209 -17.373 -8.324 8.977 1.00 17.69 C ATOM 956 O PHE A 209 -18.405 -7.679 9.148 1.00 19.67 O ATOM 957 CB PHE A 209 -16.516 -7.511 6.792 1.00 16.26 C ATOM 958 CG PHE A 209 -15.940 -7.813 5.444 1.00 16.64 C ATOM 959 CD1 PHE A 209 -14.629 -8.244 5.316 1.00 12.33 C ATOM 960 CD2 PHE A 209 -16.700 -7.624 4.301 1.00 13.60 C ATOM 961 CE1 PHE A 209 -14.091 -8.502 4.064 1.00 18.05 C ATOM 962 CE2 PHE A 209 -16.169 -7.883 3.057 1.00 17.79 C ATOM 963 CZ PHE A 209 -14.865 -8.323 2.939 1.00 17.28 C ATOM 964 H PHE A 209 -18.759 -8.843 6.364 1.00 0.00 H ATOM 965 N LYS A 210 -16.575 -8.688 9.973 1.00 15.89 N ATOM 966 CA LYS A 210 -16.838 -8.290 11.355 1.00 18.81 C ATOM 967 C LYS A 210 -15.834 -7.215 11.781 1.00 20.51 C ATOM 968 O LYS A 210 -14.629 -7.460 11.771 1.00 20.00 O ATOM 969 CB LYS A 210 -16.762 -9.513 12.273 1.00 22.51 C ATOM 970 CG LYS A 210 -17.085 -9.247 13.725 1.00 35.28 C ATOM 971 CD LYS A 210 -17.029 -10.541 14.531 1.00 42.81 C ATOM 972 CE LYS A 210 -18.418 -11.097 14.777 1.00 36.97 C ATOM 973 NZ LYS A 210 -19.099 -10.402 15.905 1.00 39.96 N ATOM 974 HZ1 LYS A 210 -18.539 -10.523 16.773 1.00 0.00 H ATOM 975 HZ2 LYS A 210 -19.186 -9.389 15.685 1.00 0.00 H ATOM 976 HZ3 LYS A 210 -20.046 -10.811 16.042 1.00 0.00 H ATOM 977 H LYS A 210 -15.740 -9.272 9.765 1.00 0.00 H ATOM 978 N VAL A 211 -16.320 -6.026 12.138 1.00 15.39 N ATOM 979 CA VAL A 211 -15.429 -4.926 12.500 1.00 15.45 C ATOM 980 C VAL A 211 -15.473 -4.616 13.999 1.00 20.73 C ATOM 981 O VAL A 211 -16.544 -4.397 14.567 1.00 16.63 O ATOM 982 CB VAL A 211 -15.769 -3.642 11.719 1.00 18.70 C ATOM 983 CG1 VAL A 211 -14.850 -2.493 12.147 1.00 16.72 C ATOM 984 CG2 VAL A 211 -15.655 -3.885 10.215 1.00 15.50 C ATOM 985 H VAL A 211 -17.349 -5.879 12.159 1.00 0.00 H ATOM 986 N ALA A 212 -14.305 -4.625 14.635 1.00 18.55 N ATOM 987 CA ALA A 212 -14.179 -4.151 16.010 1.00 16.67 C ATOM 988 C ALA A 212 -13.192 -2.995 16.063 1.00 20.66 C ATOM 989 O ALA A 212 -12.197 -2.982 15.328 1.00 17.40 O ATOM 990 CB ALA A 212 -13.737 -5.271 16.935 1.00 17.68 C ATOM 991 H ALA A 212 -13.461 -4.978 14.141 1.00 0.00 H ATOM 992 N VAL A 213 -13.473 -2.022 16.925 1.00 16.13 N ATOM 993 CA VAL A 213 -12.574 -0.891 17.113 1.00 16.09 C ATOM 994 C VAL A 213 -12.173 -0.796 18.578 1.00 21.20 C ATOM 995 O VAL A 213 -13.029 -0.835 19.462 1.00 22.06 O ATOM 996 CB VAL A 213 -13.213 0.428 16.660 1.00 18.56 C ATOM 997 CG1 VAL A 213 -12.272 1.596 16.942 1.00 18.86 C ATOM 998 CG2 VAL A 213 -13.560 0.363 15.180 1.00 16.63 C ATOM 999 H VAL A 213 -14.353 -2.069 17.477 1.00 0.00 H ATOM 1000 N ASN A 214 -10.871 -0.686 18.825 1.00 18.18 N ATOM 1001 CA ASN A 214 -10.329 -0.645 20.176 1.00 22.46 C ATOM 1002 C ASN A 214 -10.888 -1.781 21.037 1.00 29.60 C ATOM 1003 O ASN A 214 -11.335 -1.552 22.165 1.00 24.48 O ATOM 1004 CB ASN A 214 -10.613 0.714 20.825 1.00 17.73 C ATOM 1005 CG ASN A 214 -9.981 1.865 20.066 1.00 21.99 C ATOM 1006 OD1 ASN A 214 -9.011 1.685 19.329 1.00 19.74 O ATOM 1007 ND2 ASN A 214 -10.530 3.061 20.245 1.00 19.88 N ATOM 1008 HD22 ASN A 214 -11.349 3.168 20.877 1.00 0.00 H ATOM 1009 HD21 ASN A 214 -10.141 3.891 19.753 1.00 0.00 H ATOM 1010 H ASN A 214 -10.214 -0.627 18.021 1.00 0.00 H ATOM 1011 N ASP A 215 -10.881 -2.989 20.466 1.00 24.50 N ATOM 1012 CA ASP A 215 -11.290 -4.231 21.138 1.00 30.72 C ATOM 1013 C ASP A 215 -12.785 -4.318 21.459 1.00 29.21 C ATOM 1014 O ASP A 215 -13.209 -5.192 22.212 1.00 35.53 O ATOM 1015 CB ASP A 215 -10.486 -4.436 22.429 1.00 28.65 C ATOM 1016 CG ASP A 215 -9.027 -4.754 22.167 1.00 38.59 C ATOM 1017 OD1 ASP A 215 -8.740 -5.895 21.750 1.00 55.28 O ATOM 1018 OD2 ASP A 215 -8.168 -3.869 22.380 1.00 46.51 O ATOM 1019 H ASP A 215 -10.564 -3.055 19.478 1.00 0.00 H ATOM 1020 N ALA A 216 -13.582 -3.424 20.889 1.00 27.65 N ATOM 1021 CA ALA A 216 -15.026 -3.473 21.080 1.00 25.50 C ATOM 1022 C ALA A 216 -15.731 -3.685 19.746 1.00 28.20 C ATOM 1023 O ALA A 216 -15.507 -2.925 18.799 1.00 21.02 O ATOM 1024 CB ALA A 216 -15.516 -2.199 21.742 1.00 23.07 C ATOM 1025 H ALA A 216 -13.170 -2.676 20.296 1.00 0.00 H ATOM 1026 N HIS A 217 -16.581 -4.708 19.669 1.00 26.99 N ATOM 1027 CA HIS A 217 -17.321 -4.979 18.439 1.00 25.90 C ATOM 1028 C HIS A 217 -18.113 -3.755 18.005 1.00 25.62 C ATOM 1029 O HIS A 217 -18.755 -3.098 18.821 1.00 26.57 O ATOM 1030 CB HIS A 217 -18.261 -6.173 18.599 1.00 21.93 C ATOM 1031 CG HIS A 217 -19.056 -6.470 17.367 1.00 24.62 C ATOM 1032 ND1 HIS A 217 -18.484 -6.983 16.221 1.00 26.79 N ATOM 1033 CD2 HIS A 217 -20.367 -6.291 17.085 1.00 27.49 C ATOM 1034 CE1 HIS A 217 -19.414 -7.122 15.293 1.00 27.68 C ATOM 1035 NE2 HIS A 217 -20.565 -6.707 15.790 1.00 25.70 N ATOM 1036 H HIS A 217 -16.720 -5.322 20.497 1.00 0.00 H ATOM 1037 N LEU A 218 -18.061 -3.453 16.714 1.00 21.08 N ATOM 1038 CA LEU A 218 -18.687 -2.247 16.187 1.00 18.97 C ATOM 1039 C LEU A 218 -19.828 -2.546 15.216 1.00 24.78 C ATOM 1040 O LEU A 218 -20.932 -2.031 15.372 1.00 27.00 O ATOM 1041 CB LEU A 218 -17.644 -1.376 15.494 1.00 18.19 C ATOM 1042 CG LEU A 218 -18.217 -0.137 14.807 1.00 21.31 C ATOM 1043 CD1 LEU A 218 -18.864 0.784 15.836 1.00 27.94 C ATOM 1044 CD2 LEU A 218 -17.132 0.592 14.041 1.00 20.09 C ATOM 1045 H LEU A 218 -17.562 -4.092 16.063 1.00 0.00 H ATOM 1046 N LEU A 219 -19.553 -3.360 14.203 1.00 21.59 N ATOM 1047 CA LEU A 219 -20.568 -3.691 13.207 1.00 23.84 C ATOM 1048 C LEU A 219 -20.198 -4.940 12.412 1.00 20.34 C ATOM 1049 O LEU A 219 -19.056 -5.398 12.443 1.00 15.83 O ATOM 1050 CB LEU A 219 -20.793 -2.506 12.250 1.00 19.84 C ATOM 1051 CG LEU A 219 -19.635 -1.965 11.398 1.00 22.58 C ATOM 1052 CD1 LEU A 219 -19.374 -2.809 10.139 1.00 19.03 C ATOM 1053 CD2 LEU A 219 -19.894 -0.514 11.002 1.00 26.30 C ATOM 1054 H LEU A 219 -18.600 -3.768 14.118 1.00 0.00 H ATOM 1055 N GLN A 220 -21.175 -5.479 11.691 1.00 19.32 N ATOM 1056 CA GLN A 220 -20.906 -6.523 10.719 1.00 21.74 C ATOM 1057 C GLN A 220 -21.472 -6.095 9.372 1.00 22.71 C ATOM 1058 O GLN A 220 -22.456 -5.362 9.305 1.00 20.73 O ATOM 1059 CB GLN A 220 -21.491 -7.867 11.166 1.00 25.51 C ATOM 1060 CG GLN A 220 -22.987 -7.863 11.402 1.00 31.93 C ATOM 1061 CD GLN A 220 -23.490 -9.180 11.977 1.00 39.34 C ATOM 1062 OE1 GLN A 220 -22.749 -10.163 12.060 1.00 35.81 O ATOM 1063 NE2 GLN A 220 -24.754 -9.202 12.380 1.00 43.71 N ATOM 1064 HE22 GLN A 220 -25.343 -8.349 12.291 1.00 0.00 H ATOM 1065 HE21 GLN A 220 -25.156 -10.072 12.785 1.00 0.00 H ATOM 1066 H GLN A 220 -22.151 -5.147 11.826 1.00 0.00 H ATOM 1067 N TYR A 221 -20.826 -6.533 8.300 1.00 19.95 N ATOM 1068 CA TYR A 221 -21.237 -6.149 6.959 1.00 22.91 C ATOM 1069 C TYR A 221 -21.396 -7.397 6.110 1.00 16.43 C ATOM 1070 O TYR A 221 -20.419 -8.099 5.837 1.00 15.46 O ATOM 1071 CB TYR A 221 -20.216 -5.195 6.345 1.00 17.53 C ATOM 1072 CG TYR A 221 -20.624 -4.594 5.021 1.00 19.52 C ATOM 1073 CD1 TYR A 221 -21.398 -3.442 4.972 1.00 20.60 C ATOM 1074 CD2 TYR A 221 -20.221 -5.167 3.820 1.00 15.33 C ATOM 1075 CE1 TYR A 221 -21.770 -2.874 3.758 1.00 19.11 C ATOM 1076 CE2 TYR A 221 -20.584 -4.606 2.593 1.00 16.07 C ATOM 1077 CZ TYR A 221 -21.360 -3.460 2.573 1.00 20.03 C ATOM 1078 OH TYR A 221 -21.728 -2.897 1.369 1.00 20.37 O ATOM 1079 HH TYR A 221 -20.916 -2.646 0.862 1.00 0.00 H ATOM 1080 H TYR A 221 -20.008 -7.164 8.421 1.00 0.00 H ATOM 1081 N ASN A 222 -22.635 -7.677 5.722 1.00 21.10 N ATOM 1082 CA ASN A 222 -22.962 -8.863 4.938 1.00 24.34 C ATOM 1083 C ASN A 222 -22.282 -8.819 3.573 1.00 17.87 C ATOM 1084 O ASN A 222 -22.329 -7.789 2.898 1.00 19.29 O ATOM 1085 CB ASN A 222 -24.483 -8.980 4.780 1.00 22.36 C ATOM 1086 CG ASN A 222 -24.914 -10.335 4.262 1.00 28.96 C ATOM 1087 OD1 ASN A 222 -25.001 -11.303 5.020 1.00 32.18 O ATOM 1088 ND2 ASN A 222 -25.200 -10.411 2.967 1.00 27.43 N ATOM 1089 HD22 ASN A 222 -25.112 -9.568 2.365 1.00 0.00 H ATOM 1090 HD21 ASN A 222 -25.512 -11.314 2.555 1.00 0.00 H ATOM 1091 H ASN A 222 -23.401 -7.026 5.987 1.00 0.00 H ATOM 1092 N HIS A 223 -21.640 -9.922 3.182 1.00 18.87 N ATOM 1093 CA HIS A 223 -20.932 -9.996 1.899 1.00 17.05 C ATOM 1094 C HIS A 223 -21.865 -9.756 0.714 1.00 17.25 C ATOM 1095 O HIS A 223 -22.812 -10.512 0.506 1.00 19.63 O ATOM 1096 CB HIS A 223 -20.254 -11.359 1.717 1.00 16.27 C ATOM 1097 CG HIS A 223 -19.121 -11.621 2.663 1.00 17.04 C ATOM 1098 ND1 HIS A 223 -18.083 -10.737 2.848 1.00 18.25 N ATOM 1099 CD2 HIS A 223 -18.853 -12.689 3.451 1.00 21.07 C ATOM 1100 CE1 HIS A 223 -17.231 -11.241 3.724 1.00 20.12 C ATOM 1101 NE2 HIS A 223 -17.673 -12.424 4.104 1.00 21.82 N ATOM 1102 H HIS A 223 -21.642 -10.754 3.806 1.00 0.00 H ATOM 1103 N ARG A 224 -21.597 -8.711 -0.065 1.00 16.53 N ATOM 1104 CA ARG A 224 -22.345 -8.482 -1.301 1.00 17.13 C ATOM 1105 C ARG A 224 -21.520 -8.989 -2.481 1.00 21.52 C ATOM 1106 O ARG A 224 -22.055 -9.564 -3.424 1.00 20.58 O ATOM 1107 CB ARG A 224 -22.694 -7.002 -1.476 1.00 17.04 C ATOM 1108 CG ARG A 224 -23.433 -6.384 -0.292 1.00 21.84 C ATOM 1109 CD ARG A 224 -23.975 -4.995 -0.632 1.00 18.61 C ATOM 1110 NE ARG A 224 -24.414 -4.271 0.562 1.00 23.98 N ATOM 1111 CZ ARG A 224 -24.652 -2.962 0.598 1.00 24.34 C ATOM 1112 NH1 ARG A 224 -24.487 -2.227 -0.493 1.00 21.17 N ATOM 1113 NH2 ARG A 224 -25.037 -2.380 1.729 1.00 24.17 N ATOM 1114 HE ARG A 224 -24.549 -4.814 1.439 1.00 0.00 H ATOM 1115 HH12 ARG A 224 -24.673 -1.204 -0.464 1.00 0.00 H ATOM 1116 HH11 ARG A 224 -24.171 -2.673 -1.378 1.00 0.00 H ATOM 1117 HH22 ARG A 224 -25.221 -1.357 1.751 1.00 0.00 H ATOM 1118 HH21 ARG A 224 -25.154 -2.948 2.592 1.00 0.00 H ATOM 1119 H ARG A 224 -20.845 -8.047 0.209 1.00 0.00 H ATOM 1120 N VAL A 225 -20.210 -8.766 -2.415 1.00 20.90 N ATOM 1121 CA VAL A 225 -19.265 -9.407 -3.326 1.00 18.90 C ATOM 1122 C VAL A 225 -18.962 -10.780 -2.764 1.00 22.42 C ATOM 1123 O VAL A 225 -18.386 -10.898 -1.681 1.00 19.00 O ATOM 1124 CB VAL A 225 -17.959 -8.610 -3.482 1.00 15.45 C ATOM 1125 CG1 VAL A 225 -16.924 -9.440 -4.231 1.00 16.54 C ATOM 1126 CG2 VAL A 225 -18.224 -7.284 -4.193 1.00 17.66 C ATOM 1127 H VAL A 225 -19.847 -8.114 -1.691 1.00 0.00 H ATOM 1128 N LYS A 226 -19.345 -11.819 -3.495 1.00 19.77 N ATOM 1129 CA LYS A 226 -19.372 -13.157 -2.915 1.00 25.38 C ATOM 1130 C LYS A 226 -18.167 -14.019 -3.271 1.00 22.38 C ATOM 1131 O LYS A 226 -17.965 -15.072 -2.667 1.00 24.35 O ATOM 1132 CB LYS A 226 -20.673 -13.851 -3.313 1.00 19.19 C ATOM 1133 CG LYS A 226 -21.869 -13.074 -2.787 1.00 24.05 C ATOM 1134 CD LYS A 226 -23.195 -13.722 -3.089 1.00 27.12 C ATOM 1135 CE LYS A 226 -24.326 -12.854 -2.545 1.00 20.89 C ATOM 1136 NZ LYS A 226 -24.280 -12.755 -1.056 1.00 21.12 N ATOM 1137 HZ1 LYS A 226 -24.369 -13.706 -0.644 1.00 0.00 H ATOM 1138 HZ2 LYS A 226 -23.375 -12.333 -0.766 1.00 0.00 H ATOM 1139 HZ3 LYS A 226 -25.064 -12.157 -0.725 1.00 0.00 H ATOM 1140 H LYS A 226 -19.627 -11.679 -4.486 1.00 0.00 H ATOM 1141 N LYS A 227 -17.348 -13.567 -4.216 1.00 17.74 N ATOM 1142 CA LYS A 227 -16.103 -14.275 -4.517 1.00 22.28 C ATOM 1143 C LYS A 227 -14.976 -13.724 -3.648 1.00 19.82 C ATOM 1144 O LYS A 227 -14.201 -12.861 -4.073 1.00 16.98 O ATOM 1145 CB LYS A 227 -15.762 -14.171 -6.005 1.00 24.03 C ATOM 1146 CG LYS A 227 -16.645 -15.056 -6.873 1.00 31.30 C ATOM 1147 CD LYS A 227 -16.291 -14.947 -8.344 1.00 43.99 C ATOM 1148 CE LYS A 227 -16.962 -16.054 -9.151 1.00 46.41 C ATOM 1149 NZ LYS A 227 -16.479 -17.420 -8.772 1.00 47.38 N ATOM 1150 HZ1 LYS A 227 -15.454 -17.482 -8.936 1.00 0.00 H ATOM 1151 HZ2 LYS A 227 -16.681 -17.591 -7.766 1.00 0.00 H ATOM 1152 HZ3 LYS A 227 -16.968 -18.132 -9.351 1.00 0.00 H ATOM 1153 H LYS A 227 -17.594 -12.705 -4.744 1.00 0.00 H ATOM 1154 N LEU A 228 -14.896 -14.234 -2.421 1.00 22.45 N ATOM 1155 CA LEU A 228 -13.995 -13.688 -1.409 1.00 20.90 C ATOM 1156 C LEU A 228 -12.525 -13.764 -1.823 1.00 21.26 C ATOM 1157 O LEU A 228 -11.741 -12.863 -1.523 1.00 16.94 O ATOM 1158 CB LEU A 228 -14.200 -14.414 -0.074 1.00 18.97 C ATOM 1159 CG LEU A 228 -15.619 -14.415 0.506 1.00 23.15 C ATOM 1160 CD1 LEU A 228 -15.662 -15.210 1.811 1.00 17.27 C ATOM 1161 CD2 LEU A 228 -16.150 -12.993 0.709 1.00 19.07 C ATOM 1162 H LEU A 228 -15.495 -15.048 -2.175 1.00 0.00 H ATOM 1163 N ASN A 229 -12.158 -14.831 -2.528 1.00 19.79 N ATOM 1164 CA ASN A 229 -10.779 -15.019 -2.977 1.00 22.45 C ATOM 1165 C ASN A 229 -10.314 -13.945 -3.960 1.00 15.62 C ATOM 1166 O ASN A 229 -9.117 -13.793 -4.201 1.00 17.33 O ATOM 1167 CB ASN A 229 -10.616 -16.401 -3.623 1.00 26.20 C ATOM 1168 CG ASN A 229 -11.459 -16.557 -4.879 1.00 29.28 C ATOM 1169 OD1 ASN A 229 -12.686 -16.658 -4.805 1.00 32.79 O ATOM 1170 ND2 ASN A 229 -10.808 -16.568 -6.038 1.00 35.31 N ATOM 1171 HD22 ASN A 229 -9.772 -16.480 -6.053 1.00 0.00 H ATOM 1172 HD21 ASN A 229 -11.335 -16.665 -6.929 1.00 0.00 H ATOM 1173 H ASN A 229 -12.871 -15.550 -2.766 1.00 0.00 H ATOM 1174 N GLU A 230 -11.259 -13.210 -4.536 1.00 15.65 N ATOM 1175 CA GLU A 230 -10.931 -12.179 -5.516 1.00 16.97 C ATOM 1176 C GLU A 230 -10.812 -10.798 -4.879 1.00 19.51 C ATOM 1177 O GLU A 230 -10.462 -9.825 -5.544 1.00 15.46 O ATOM 1178 CB GLU A 230 -11.981 -12.166 -6.630 1.00 20.39 C ATOM 1179 CG GLU A 230 -12.015 -13.490 -7.395 1.00 27.61 C ATOM 1180 CD GLU A 230 -12.889 -13.459 -8.638 1.00 25.07 C ATOM 1181 OE1 GLU A 230 -13.594 -12.451 -8.859 1.00 32.50 O ATOM 1182 OE2 GLU A 230 -12.862 -14.453 -9.395 1.00 33.72 O ATOM 1183 H GLU A 230 -12.255 -13.373 -4.283 1.00 0.00 H ATOM 1184 N ILE A 231 -11.103 -10.721 -3.584 1.00 16.26 N ATOM 1185 CA ILE A 231 -10.916 -9.488 -2.828 1.00 14.89 C ATOM 1186 C ILE A 231 -9.478 -9.460 -2.320 1.00 17.58 C ATOM 1187 O ILE A 231 -9.183 -9.943 -1.222 1.00 19.42 O ATOM 1188 CB ILE A 231 -11.918 -9.381 -1.660 1.00 12.06 C ATOM 1189 CG1 ILE A 231 -13.345 -9.559 -2.186 1.00 11.89 C ATOM 1190 CG2 ILE A 231 -11.760 -8.049 -0.917 1.00 11.81 C ATOM 1191 CD1 ILE A 231 -14.402 -9.652 -1.100 1.00 18.55 C ATOM 1192 H ILE A 231 -11.474 -11.562 -3.097 1.00 0.00 H ATOM 1193 N SER A 232 -8.587 -8.890 -3.131 1.00 13.21 N ATOM 1194 CA SER A 232 -7.157 -9.136 -2.986 1.00 17.92 C ATOM 1195 C SER A 232 -6.337 -7.916 -2.593 1.00 18.92 C ATOM 1196 O SER A 232 -5.115 -7.990 -2.569 1.00 19.61 O ATOM 1197 CB SER A 232 -6.598 -9.708 -4.297 1.00 19.00 C ATOM 1198 OG SER A 232 -6.734 -8.760 -5.347 1.00 28.82 O ATOM 1199 HG SER A 232 -7.692 -8.542 -5.471 1.00 0.00 H ATOM 1200 H SER A 232 -8.919 -8.255 -3.885 1.00 0.00 H ATOM 1201 N LYS A 233 -6.993 -6.798 -2.292 1.00 19.16 N ATOM 1202 CA LYS A 233 -6.282 -5.595 -1.848 1.00 24.71 C ATOM 1203 C LYS A 233 -7.115 -4.826 -0.832 1.00 17.16 C ATOM 1204 O LYS A 233 -8.342 -4.798 -0.920 1.00 17.25 O ATOM 1205 CB LYS A 233 -5.934 -4.677 -3.036 1.00 25.18 C ATOM 1206 CG LYS A 233 -4.919 -5.263 -4.017 1.00 42.26 C ATOM 1207 CD LYS A 233 -4.039 -4.199 -4.664 1.00 50.94 C ATOM 1208 CE LYS A 233 -2.574 -4.658 -4.765 1.00 51.90 C ATOM 1209 NZ LYS A 233 -2.394 -6.108 -5.090 1.00 57.80 N ATOM 1210 HZ1 LYS A 233 -2.840 -6.686 -4.350 1.00 0.00 H ATOM 1211 HZ2 LYS A 233 -2.838 -6.314 -6.007 1.00 0.00 H ATOM 1212 HZ3 LYS A 233 -1.379 -6.328 -5.138 1.00 0.00 H ATOM 1213 H LYS A 233 -8.030 -6.777 -2.373 1.00 0.00 H ATOM 1214 N LEU A 234 -6.439 -4.216 0.133 1.00 16.13 N ATOM 1215 CA LEU A 234 -7.083 -3.313 1.080 1.00 13.04 C ATOM 1216 C LEU A 234 -6.458 -1.925 0.981 1.00 18.77 C ATOM 1217 O LEU A 234 -5.274 -1.752 1.254 1.00 23.36 O ATOM 1218 CB LEU A 234 -6.968 -3.840 2.511 1.00 19.33 C ATOM 1219 CG LEU A 234 -7.348 -2.804 3.578 1.00 19.21 C ATOM 1220 CD1 LEU A 234 -8.829 -2.459 3.490 1.00 15.97 C ATOM 1221 CD2 LEU A 234 -6.986 -3.284 4.972 1.00 21.01 C ATOM 1222 H LEU A 234 -5.417 -4.387 0.217 1.00 0.00 H ATOM 1223 N GLY A 235 -7.253 -0.941 0.572 1.00 15.66 N ATOM 1224 CA GLY A 235 -6.792 0.435 0.527 1.00 19.39 C ATOM 1225 C GLY A 235 -7.105 1.132 1.837 1.00 20.43 C ATOM 1226 O GLY A 235 -8.211 1.007 2.365 1.00 22.03 O ATOM 1227 H GLY A 235 -8.226 -1.162 0.278 1.00 0.00 H ATOM 1228 N ILE A 236 -6.124 1.851 2.372 1.00 19.13 N ATOM 1229 CA ILE A 236 -6.300 2.600 3.614 1.00 17.37 C ATOM 1230 C ILE A 236 -6.032 4.083 3.363 1.00 23.31 C ATOM 1231 O ILE A 236 -4.936 4.456 2.950 1.00 21.71 O ATOM 1232 CB ILE A 236 -5.361 2.082 4.719 1.00 20.74 C ATOM 1233 CG1 ILE A 236 -5.554 0.573 4.918 1.00 20.28 C ATOM 1234 CG2 ILE A 236 -5.585 2.857 6.009 1.00 22.04 C ATOM 1235 CD1 ILE A 236 -4.444 -0.086 5.693 1.00 26.70 C ATOM 1236 H ILE A 236 -5.202 1.882 1.892 1.00 0.00 H ATOM 1237 N SER A 237 -7.031 4.929 3.594 1.00 20.27 N ATOM 1238 CA SER A 237 -6.882 6.342 3.269 1.00 21.41 C ATOM 1239 C SER A 237 -7.609 7.271 4.239 1.00 26.37 C ATOM 1240 O SER A 237 -8.365 6.827 5.113 1.00 20.08 O ATOM 1241 CB SER A 237 -7.372 6.601 1.844 1.00 24.53 C ATOM 1242 OG SER A 237 -8.752 6.313 1.736 1.00 30.92 O ATOM 1243 HG SER A 237 -8.908 5.362 1.963 1.00 0.00 H ATOM 1244 H SER A 237 -7.920 4.582 4.007 1.00 0.00 H ATOM 1245 N GLY A 238 -7.362 8.567 4.076 1.00 26.55 N ATOM 1246 CA GLY A 238 -8.025 9.571 4.879 1.00 26.30 C ATOM 1247 C GLY A 238 -7.116 10.196 5.916 1.00 31.74 C ATOM 1248 O GLY A 238 -5.887 10.139 5.812 1.00 24.88 O ATOM 1249 H GLY A 238 -6.676 8.866 3.354 1.00 0.00 H ATOM 1250 N ASP A 239 -7.731 10.776 6.938 1.00 32.99 N ATOM 1251 CA ASP A 239 -7.018 11.631 7.877 1.00 29.46 C ATOM 1252 C ASP A 239 -6.462 10.872 9.075 1.00 27.49 C ATOM 1253 O ASP A 239 -6.897 11.068 10.212 1.00 26.48 O ATOM 1254 CB ASP A 239 -7.947 12.753 8.336 1.00 24.83 C ATOM 1255 CG ASP A 239 -8.560 13.501 7.168 1.00 27.23 C ATOM 1256 OD1 ASP A 239 -7.814 13.809 6.218 1.00 31.87 O ATOM 1257 OD2 ASP A 239 -9.781 13.762 7.183 1.00 26.20 O ATOM 1258 H ASP A 239 -8.750 10.616 7.072 1.00 0.00 H ATOM 1259 N ILE A 240 -5.496 9.999 8.815 1.00 27.95 N ATOM 1260 CA ILE A 240 -4.842 9.259 9.882 1.00 27.92 C ATOM 1261 C ILE A 240 -3.335 9.225 9.706 1.00 26.58 C ATOM 1262 O ILE A 240 -2.817 9.378 8.603 1.00 27.40 O ATOM 1263 CB ILE A 240 -5.341 7.799 9.968 1.00 26.02 C ATOM 1264 CG1 ILE A 240 -4.891 7.006 8.738 1.00 28.62 C ATOM 1265 CG2 ILE A 240 -6.848 7.752 10.134 1.00 27.34 C ATOM 1266 CD1 ILE A 240 -5.284 5.553 8.769 1.00 26.54 C ATOM 1267 H ILE A 240 -5.202 9.842 7.830 1.00 0.00 H ATOM 1268 N ASP A 241 -2.639 9.035 10.818 1.00 27.49 N ATOM 1269 CA ASP A 241 -1.252 8.610 10.787 1.00 29.70 C ATOM 1270 C ASP A 241 -1.273 7.093 10.917 1.00 29.07 C ATOM 1271 O ASP A 241 -1.769 6.566 11.910 1.00 25.96 O ATOM 1272 CB ASP A 241 -0.439 9.245 11.920 1.00 36.64 C ATOM 1273 CG ASP A 241 -0.247 10.743 11.742 1.00 47.09 C ATOM 1274 OD1 ASP A 241 -0.147 11.454 12.766 1.00 56.03 O ATOM 1275 OD2 ASP A 241 -0.192 11.210 10.585 1.00 52.14 O ATOM 1276 H ASP A 241 -3.099 9.195 11.737 1.00 0.00 H ATOM 1277 N LEU A 242 -0.754 6.394 9.915 1.00 27.03 N ATOM 1278 CA LEU A 242 -0.797 4.936 9.906 1.00 29.18 C ATOM 1279 C LEU A 242 0.404 4.332 10.623 1.00 27.54 C ATOM 1280 O LEU A 242 1.543 4.575 10.240 1.00 32.24 O ATOM 1281 CB LEU A 242 -0.861 4.421 8.467 1.00 29.35 C ATOM 1282 CG LEU A 242 -1.093 2.922 8.287 1.00 27.90 C ATOM 1283 CD1 LEU A 242 -2.357 2.479 9.021 1.00 21.92 C ATOM 1284 CD2 LEU A 242 -1.185 2.577 6.811 1.00 28.63 C ATOM 1285 H LEU A 242 -0.308 6.896 9.121 1.00 0.00 H ATOM 1286 N THR A 243 0.147 3.538 11.660 1.00 22.04 N ATOM 1287 CA THR A 243 1.219 2.930 12.450 1.00 26.38 C ATOM 1288 C THR A 243 1.591 1.557 11.917 1.00 29.64 C ATOM 1289 O THR A 243 2.769 1.232 11.764 1.00 29.61 O ATOM 1290 CB THR A 243 0.823 2.788 13.931 1.00 28.22 C ATOM 1291 OG1 THR A 243 0.545 4.080 14.473 1.00 37.33 O ATOM 1292 CG2 THR A 243 1.941 2.135 14.727 1.00 27.02 C ATOM 1293 HG1 THR A 243 0.290 3.989 15.425 1.00 0.00 H ATOM 1294 H THR A 243 -0.842 3.344 11.916 1.00 0.00 H ATOM 1295 N SER A 244 0.575 0.746 11.651 1.00 26.82 N ATOM 1296 CA SER A 244 0.799 -0.572 11.086 1.00 24.49 C ATOM 1297 C SER A 244 -0.468 -1.126 10.463 1.00 25.81 C ATOM 1298 O SER A 244 -1.586 -0.730 10.808 1.00 21.20 O ATOM 1299 CB SER A 244 1.325 -1.545 12.142 1.00 22.19 C ATOM 1300 OG SER A 244 0.310 -1.921 13.050 1.00 34.60 O ATOM 1301 HG SER A 244 -0.426 -2.361 12.556 1.00 0.00 H ATOM 1302 H SER A 244 -0.396 1.059 11.850 1.00 0.00 H ATOM 1303 N ALA A 245 -0.265 -2.042 9.526 1.00 20.98 N ATOM 1304 CA ALA A 245 -1.347 -2.723 8.842 1.00 23.40 C ATOM 1305 C ALA A 245 -0.874 -4.123 8.514 1.00 24.09 C ATOM 1306 O ALA A 245 0.103 -4.300 7.790 1.00 28.85 O ATOM 1307 CB ALA A 245 -1.757 -1.969 7.569 1.00 23.53 C ATOM 1308 H ALA A 245 0.714 -2.283 9.270 1.00 0.00 H ATOM 1309 N SER A 246 -1.554 -5.122 9.056 1.00 22.38 N ATOM 1310 CA SER A 246 -1.170 -6.493 8.791 1.00 24.18 C ATOM 1311 C SER A 246 -2.371 -7.417 8.843 1.00 26.12 C ATOM 1312 O SER A 246 -3.508 -6.987 9.048 1.00 22.45 O ATOM 1313 CB SER A 246 -0.116 -6.958 9.793 1.00 25.77 C ATOM 1314 OG SER A 246 -0.638 -6.934 11.108 1.00 31.39 O ATOM 1315 HG SER A 246 -1.422 -7.537 11.162 1.00 0.00 H ATOM 1316 H SER A 246 -2.366 -4.921 9.674 1.00 0.00 H ATOM 1317 N TYR A 247 -2.103 -8.700 8.659 1.00 20.00 N ATOM 1318 CA TYR A 247 -3.148 -9.697 8.687 1.00 21.76 C ATOM 1319 C TYR A 247 -2.581 -10.979 9.265 1.00 23.88 C ATOM 1320 O TYR A 247 -1.371 -11.204 9.235 1.00 24.16 O ATOM 1321 CB TYR A 247 -3.725 -9.923 7.284 1.00 21.82 C ATOM 1322 CG TYR A 247 -2.675 -10.136 6.215 1.00 23.92 C ATOM 1323 CD1 TYR A 247 -2.034 -11.361 6.078 1.00 23.61 C ATOM 1324 CD2 TYR A 247 -2.326 -9.112 5.342 1.00 27.05 C ATOM 1325 CE1 TYR A 247 -1.073 -11.562 5.102 1.00 26.65 C ATOM 1326 CE2 TYR A 247 -1.364 -9.302 4.365 1.00 25.92 C ATOM 1327 CZ TYR A 247 -0.741 -10.529 4.251 1.00 24.34 C ATOM 1328 OH TYR A 247 0.217 -10.726 3.283 1.00 25.35 O ATOM 1329 HH TYR A 247 0.963 -10.090 3.424 1.00 0.00 H ATOM 1330 H TYR A 247 -1.120 -8.996 8.491 1.00 0.00 H ATOM 1331 N THR A 248 -3.459 -11.803 9.816 1.00 23.04 N ATOM 1332 CA THR A 248 -3.070 -13.112 10.304 1.00 31.65 C ATOM 1333 C THR A 248 -4.264 -14.047 10.176 1.00 31.67 C ATOM 1334 O THR A 248 -5.386 -13.596 9.933 1.00 31.77 O ATOM 1335 CB THR A 248 -2.575 -13.055 11.769 1.00 32.53 C ATOM 1336 OG1 THR A 248 -2.087 -14.341 12.165 1.00 38.35 O ATOM 1337 CG2 THR A 248 -3.700 -12.630 12.707 1.00 30.18 C ATOM 1338 HG1 THR A 248 -1.337 -14.604 11.575 1.00 0.00 H ATOM 1339 H THR A 248 -4.452 -11.504 9.901 1.00 0.00 H ATOM 1340 N MET A 249 -4.018 -15.346 10.308 1.00 24.32 N ATOM 1341 CA MET A 249 -5.087 -16.335 10.312 1.00 31.14 C ATOM 1342 C MET A 249 -5.303 -16.828 11.727 1.00 36.03 C ATOM 1343 O MET A 249 -4.375 -17.322 12.366 1.00 41.46 O ATOM 1344 CB MET A 249 -4.761 -17.522 9.399 1.00 31.40 C ATOM 1345 CG MET A 249 -4.584 -17.177 7.932 1.00 34.82 C ATOM 1346 SD MET A 249 -6.110 -16.618 7.153 1.00 34.76 S ATOM 1347 CE MET A 249 -7.231 -17.944 7.616 1.00 35.77 C ATOM 1348 H MET A 249 -3.034 -15.666 10.411 1.00 0.00 H ATOM 1349 N ILE A 250 -6.525 -16.696 12.221 1.00 31.30 N ATOM 1350 CA ILE A 250 -6.840 -17.190 13.550 1.00 39.87 C ATOM 1351 C ILE A 250 -7.669 -18.473 13.469 1.00 47.96 C ATOM 1352 O ILE A 250 -8.108 -18.872 12.387 1.00 39.56 O ATOM 1353 CB ILE A 250 -7.591 -16.141 14.367 1.00 36.12 C ATOM 1354 CG1 ILE A 250 -8.990 -15.928 13.794 1.00 31.92 C ATOM 1355 CG2 ILE A 250 -6.808 -14.833 14.389 1.00 37.66 C ATOM 1356 CD1 ILE A 250 -9.843 -15.028 14.636 1.00 33.92 C ATOM 1357 OXT ILE A 250 -7.909 -19.144 14.476 1.00 48.32 O ATOM 1358 H ILE A 250 -7.264 -16.235 11.653 1.00 0.00 H TER 1359 ILE A 250 HETATM 1360 O HOH 1 -20.680 -10.889 17.421 1.00 38.90 O HETATM 1361 O HOH 2 -17.299 -7.661 -7.687 1.00 28.93 O HETATM 1362 O HOH 3 -14.316 2.843 -9.841 1.00 47.86 O HETATM 1363 O HOH 4 -10.163 -7.696 20.823 1.00 44.80 O HETATM 1364 O HOH 5 -9.167 3.643 1.241 1.00 22.63 O HETATM 1365 O HOH 6 -25.932 -13.526 5.705 1.00 30.57 O HETATM 1366 O HOH 7 -14.304 -14.559 -11.448 1.00 34.49 O HETATM 1367 O HOH 8 -5.178 -7.972 16.365 1.00 32.82 O HETATM 1368 O HOH 9 -29.623 13.854 13.270 1.00 47.72 O HETATM 1369 O HOH 10 -13.752 -17.493 -2.583 1.00 32.45 O HETATM 1370 O HOH 11 -24.052 -5.817 3.020 1.00 17.44 O HETATM 1371 O HOH 12 -12.076 5.634 -0.352 1.00 34.12 O HETATM 1372 O HOH 13 -18.835 -5.807 -11.305 1.00 30.43 O HETATM 1373 O HOH 14 -17.872 -19.175 -7.336 1.00 34.56 O HETATM 1374 O HOH 15 -0.885 4.984 16.540 1.00 35.60 O HETATM 1375 O HOH 16 -19.074 -18.383 3.146 1.00 19.75 O HETATM 1376 O HOH 17 0.558 7.638 7.896 1.00 37.20 O HETATM 1377 O HOH 18 -24.706 -6.020 6.495 1.00 19.55 O HETATM 1378 O HOH 19 -5.900 9.678 2.060 1.00 36.82 O HETATM 1379 O HOH 20 -1.438 -9.230 12.344 1.00 30.09 O HETATM 1380 O HOH 21 -4.143 -9.119 12.287 1.00 21.27 O HETATM 1381 O HOH 22 -8.331 -6.781 -6.369 1.00 29.47 O HETATM 1382 O HOH 23 -17.499 -9.331 0.410 1.00 13.40 O HETATM 1383 O HOH 24 -10.130 -3.544 17.869 1.00 20.94 O HETATM 1384 O HOH 25 -19.222 -7.293 -0.097 1.00 17.23 O HETATM 1385 O HOH 26 -3.055 -9.444 -3.725 1.00 19.32 O HETATM 1386 O HOH 27 -22.782 5.639 -7.323 1.00 33.61 O HETATM 1387 O HOH 28 -16.240 10.216 3.096 1.00 35.67 O HETATM 1388 O HOH 29 -1.276 -4.114 12.381 1.00 30.11 O HETATM 1389 O HOH 30 -14.096 -16.043 11.255 1.00 36.74 O HETATM 1390 O HOH 31 0.977 1.348 -0.316 1.00 32.43 O HETATM 1391 O HOH 32 0.691 -8.146 1.967 1.00 34.64 O HETATM 1392 O HOH 33 -19.300 -3.871 21.475 1.00 44.97 O HETATM 1393 O HOH 34 -16.743 -0.376 -9.174 1.00 23.45 O HETATM 1394 O HOH 35 -9.078 -16.837 -0.397 1.00 30.51 O HETATM 1395 O HOH 36 -25.305 12.670 9.507 1.00 42.94 O HETATM 1396 O HOH 37 -23.182 13.222 3.024 1.00 43.56 O HETATM 1397 O HOH 38 -17.330 -6.301 21.907 1.00 40.63 O HETATM 1398 O HOH 39 -17.040 14.246 7.393 1.00 31.23 O HETATM 1399 O HOH 40 -10.000 5.778 19.482 1.00 26.22 O HETATM 1400 O HOH 41 -9.679 7.335 17.434 1.00 25.30 O HETATM 1401 O HOH 42 -22.081 12.583 16.587 1.00 37.54 O HETATM 1402 O HOH 43 -22.962 -2.530 8.218 1.00 32.99 O HETATM 1403 O HOH 44 -15.805 -2.058 -12.117 1.00 33.12 O HETATM 1404 O HOH 45 -13.259 13.795 17.399 1.00 38.64 O HETATM 1405 O HOH 46 -22.511 -19.785 7.296 1.00 57.37 O HETATM 1406 O HOH 47 -17.117 7.826 -5.507 1.00 47.19 O HETATM 1407 O HOH 48 -15.812 -8.175 16.400 1.00 30.29 O HETATM 1408 O HOH 49 -0.574 8.276 19.114 1.00 41.54 O HETATM 1409 O HOH 50 2.044 4.129 0.865 1.00 44.39 O HETATM 1410 O HOH 51 -11.696 -17.435 -0.050 1.00 34.46 O HETATM 1411 O HOH 52 2.710 -11.210 1.796 1.00 36.70 O HETATM 1412 O HOH 53 -23.028 -1.625 -5.480 1.00 28.88 O HETATM 1413 O HOH 54 -22.863 0.361 9.088 1.00 46.45 O HETATM 1414 O HOH 55 -23.304 -6.519 14.629 1.00 37.80 O HETATM 1415 O HOH 56 -29.108 -0.253 4.959 1.00 45.90 O HETATM 1416 O HOH 57 -27.976 4.692 0.247 1.00 33.84 O HETATM 1417 O HOH 58 -20.686 -15.665 9.106 1.00 27.35 O HETATM 1418 O HOH 59 -3.603 11.794 4.777 1.00 42.84 O HETATM 1419 O HOH 60 -25.756 -10.203 -0.406 1.00 33.85 O HETATM 1420 O HOH 61 -12.974 5.505 -7.579 1.00 51.15 O HETATM 1421 O HOH 62 -8.419 -1.061 23.488 1.00 48.78 O HETATM 1422 O HOH 63 0.725 -14.814 11.050 1.00 40.02 O HETATM 1423 O HOH 64 -19.295 -11.503 -6.547 1.00 20.96 O HETATM 1424 O HOH 65 -26.973 -2.262 -2.918 1.00 26.31 O HETATM 1425 O HOH 66 -23.200 6.860 -2.578 1.00 34.10 O HETATM 1426 O HOH 67 -23.902 -4.344 12.611 1.00 29.85 O HETATM 1427 O HOH 68 -2.636 2.741 17.598 1.00 28.85 O HETATM 1428 O HOH 69 -24.513 -3.227 -3.453 1.00 25.64 O HETATM 1429 O HOH 70 -13.661 -7.967 14.711 1.00 26.11 O HETATM 1430 O HOH 71 -25.588 -12.231 12.439 1.00 45.18 O HETATM 1431 O HOH 72 2.764 -2.918 9.158 1.00 44.60 O HETATM 1432 O HOH 73 -26.237 -7.525 1.885 1.00 36.64 O HETATM 1433 O HOH 74 -1.026 -16.295 9.371 1.00 38.97 O HETATM 1434 O HOH 75 4.647 -1.484 11.028 1.00 48.34 O HETATM 1435 O HOH 76 -19.778 -8.997 -7.538 1.00 31.21 O HETATM 1436 O HOH 77 -26.501 11.597 10.343 1.00 49.52 O HETATM 1437 O HOH 78 1.596 -7.259 -5.255 1.00 43.72 O HETATM 1438 O HOH 79 -15.056 -18.922 10.243 1.00 43.71 O HETATM 1439 O HOH 80 2.193 -9.373 -0.512 1.00 44.80 O HETATM 1440 O HOH 81 4.459 -3.671 12.690 1.00 49.41 O HETATM 1441 O HOH 82 -16.828 -19.694 3.166 1.00 44.48 O HETATM 1442 O HOH 83 -14.572 -20.940 9.214 1.00 51.07 O HETATM 1443 O HOH 84 -7.156 10.446 -0.585 1.00 38.66 O HETATM 1444 C1 TD A 2 -20.211 9.080 -1.185 1.00 0.14 C HETATM 1445 C2 TD A 2 -18.724 9.283 -0.969 1.00 0.13 C HETATM 1446 C3 TD A 2 -17.960 8.044 -1.204 1.00 0.15 C HETATM 1447 C4 TD A 2 -18.450 6.861 -0.477 1.00 0.12 C HETATM 1448 C5 TD A 2 -19.929 6.646 -0.720 1.00 0.11 C HETATM 1449 C6 TD A 2 -20.476 5.571 0.118 1.00 0.07 C HETATM 1450 O6 TD A 2 -21.756 5.322 -0.334 1.00 -0.39 O HETATM 1451 H13 TD A 2 -22.278 6.111 -0.253 1.00 0.21 H HETATM 1452 H6 TD A 2 -20.502 5.888 1.171 1.00 0.06 H HETATM 1453 H7 TD A 2 -19.858 4.666 0.023 1.00 0.06 H HETATM 1454 O5 TD A 2 -20.753 7.855 -0.567 1.00 -0.36 O HETATM 1455 H5 TD A 2 -20.026 6.325 -1.768 1.00 0.06 H HETATM 1456 O4 TD A 2 -18.236 7.025 0.916 1.00 -0.39 O HETATM 1457 H16 TD A 2 -17.310 7.161 1.079 1.00 0.21 H HETATM 1458 H4 TD A 2 -17.897 5.977 -0.827 1.00 0.07 H HETATM 1459 N71 TD A 2 -16.504 8.226 -1.096 1.00 -0.16 N HETATM 1460 N8 TD A 2 -15.646 8.118 -2.137 1.00 -0.09 N HETATM 1461 N9 TD A 2 -14.420 8.319 -1.747 1.00 -0.22 N HETATM 1462 C10 TD A 2 -14.423 8.571 -0.411 1.00 0.07 C HETATM 1463 C71 TD A 2 -15.820 8.499 0.014 1.00 0.09 C HETATM 1464 H23 TD A 2 -16.215 8.638 1.019 1.00 0.11 H HETATM 1465 C22 TD A 2 -13.201 8.850 0.436 1.00 -0.02 C HETATM 1466 C23 TD A 2 -12.015 9.292 -0.196 1.00 -0.06 C HETATM 1467 C24 TD A 2 -10.862 9.548 0.567 1.00 -0.07 C HETATM 1468 C25 TD A 2 -10.893 9.364 1.932 1.00 -0.03 C HETATM 1469 C26 TD A 2 -12.057 8.929 2.554 1.00 0.13 C HETATM 1470 C27 TD A 2 -13.230 8.666 1.779 1.00 -0.03 C HETATM 1471 H30 TD A 2 -14.137 8.322 2.263 1.00 0.06 H HETATM 1472 F28 TD A 2 -12.075 8.750 3.896 1.00 -0.18 F HETATM 1473 H29 TD A 2 -10.006 9.559 2.523 1.00 0.06 H HETATM 1474 H28 TD A 2 -9.953 9.888 0.084 1.00 0.06 H HETATM 1475 H27 TD A 2 -11.995 9.434 -1.270 1.00 0.05 H HETATM 1476 H3 TD A 2 -18.137 7.809 -2.264 1.00 0.07 H HETATM 1477 O21 TD A 2 -18.218 10.335 -1.779 1.00 -0.38 O HETATM 1478 H21 TD A 2 -17.305 10.487 -1.565 1.00 0.21 H HETATM 1479 H2 TD A 2 -18.580 9.570 0.083 1.00 0.07 H HETATM 1480 S1 TD A 2 -21.135 10.399 -0.491 1.00 -0.09 S HETATM 1481 C11 TD A 2 -22.812 9.956 -0.830 1.00 0.14 C HETATM 1482 O51 TD A 2 -23.286 10.574 -2.101 1.00 -0.36 O HETATM 1483 C51 TD A 2 -24.660 10.143 -2.418 1.00 0.11 C HETATM 1484 C61 TD A 2 -25.140 10.887 -3.627 1.00 0.07 C HETATM 1485 O61 TD A 2 -24.305 10.526 -4.689 1.00 -0.39 O HETATM 1486 H14 TD A 2 -23.409 10.765 -4.481 1.00 0.21 H HETATM 1487 H11 TD A 2 -25.080 11.971 -3.451 1.00 0.06 H HETATM 1488 H12 TD A 2 -26.180 10.609 -3.853 1.00 0.06 H HETATM 1489 C41 TD A 2 -25.611 10.342 -1.265 1.00 0.12 C HETATM 1490 O41 TD A 2 -25.914 11.770 -1.086 1.00 -0.39 O HETATM 1491 H17 TD A 2 -26.513 11.876 -0.357 1.00 0.21 H HETATM 1492 C31 TD A 2 -25.078 9.751 -0.016 1.00 0.15 C HETATM 1493 C21 TD A 2 -23.716 10.250 0.314 1.00 0.13 C HETATM 1494 O2 TD A 2 -23.211 9.592 1.523 1.00 -0.38 O HETATM 1495 H20 TD A 2 -23.171 8.654 1.379 1.00 0.21 H HETATM 1496 H19 TD A 2 -23.755 11.336 0.483 1.00 0.07 H HETATM 1497 N7 TD A 2 -26.009 9.900 1.135 1.00 -0.16 N HETATM 1498 C8 TD A 2 -26.707 8.857 1.704 1.00 0.09 C HETATM 1499 C9 TD A 2 -27.448 9.430 2.748 1.00 0.07 C HETATM 1500 C12 TD A 2 -28.373 8.684 3.696 1.00 -0.02 C HETATM 1501 C13 TD A 2 -28.934 9.335 4.761 1.00 -0.03 C HETATM 1502 C14 TD A 2 -29.782 8.630 5.648 1.00 0.13 C HETATM 1503 C15 TD A 2 -30.044 7.239 5.435 1.00 -0.03 C HETATM 1504 C16 TD A 2 -29.483 6.594 4.387 1.00 -0.07 C HETATM 1505 C17 TD A 2 -28.626 7.308 3.488 1.00 -0.06 C HETATM 1506 H26 TD A 2 -28.172 6.794 2.649 1.00 0.05 H HETATM 1507 H25 TD A 2 -29.681 5.540 4.228 1.00 0.06 H HETATM 1508 H24 TD A 2 -30.694 6.701 6.116 1.00 0.06 H HETATM 1509 F18 TD A 2 -30.342 9.267 6.692 1.00 -0.18 F HETATM 1510 H8 TD A 2 -28.730 10.387 4.925 1.00 0.06 H HETATM 1511 N10 TD A 2 -27.141 10.764 2.746 1.00 -0.22 N HETATM 1512 N11 TD A 2 -26.284 10.993 1.768 1.00 -0.09 N HETATM 1513 H22 TD A 2 -26.687 7.810 1.406 1.00 0.11 H HETATM 1514 H18 TD A 2 -24.980 8.671 -0.202 1.00 0.07 H HETATM 1515 H15 TD A 2 -26.550 9.824 -1.508 1.00 0.07 H HETATM 1516 H10 TD A 2 -24.636 9.069 -2.654 1.00 0.06 H HETATM 1517 H9 TD A 2 -22.832 8.866 -0.977 1.00 0.07 H HETATM 1518 H1 TD A 2 -20.389 9.039 -2.270 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1444 1445 1454 1480 1518 CONECT 1445 1444 1446 1477 1479 CONECT 1446 1445 1447 1459 1476 CONECT 1447 1446 1448 1456 1458 CONECT 1448 1447 1449 1454 1455 CONECT 1449 1448 1450 1452 1453 CONECT 1450 1449 1451 CONECT 1451 1450 CONECT 1452 1449 CONECT 1453 1449 CONECT 1454 1444 1448 CONECT 1455 1448 CONECT 1456 1447 1457 CONECT 1457 1456 CONECT 1458 1447 CONECT 1459 1446 1460 1463 CONECT 1460 1459 1461 CONECT 1461 1460 1462 CONECT 1462 1461 1463 1465 CONECT 1463 1459 1462 1464 CONECT 1464 1463 CONECT 1465 1462 1466 1470 CONECT 1466 1465 1467 1475 CONECT 1467 1466 1468 1474 CONECT 1468 1467 1469 1473 CONECT 1469 1468 1470 1472 CONECT 1470 1465 1469 1471 CONECT 1471 1470 CONECT 1472 1469 CONECT 1473 1468 CONECT 1474 1467 CONECT 1475 1466 CONECT 1476 1446 CONECT 1477 1445 1478 CONECT 1478 1477 CONECT 1479 1445 CONECT 1480 1444 1481 CONECT 1481 1480 1482 1493 1517 CONECT 1482 1481 1483 CONECT 1483 1482 1484 1489 1516 CONECT 1484 1483 1485 1487 1488 CONECT 1485 1484 1486 CONECT 1486 1485 CONECT 1487 1484 CONECT 1488 1484 CONECT 1489 1483 1490 1492 1515 CONECT 1490 1489 1491 CONECT 1491 1490 CONECT 1492 1489 1493 1497 1514 CONECT 1493 1481 1492 1494 1496 CONECT 1494 1493 1495 CONECT 1495 1494 CONECT 1496 1493 CONECT 1497 1492 1498 1512 CONECT 1498 1497 1499 1513 CONECT 1499 1498 1500 1511 CONECT 1500 1499 1501 1505 CONECT 1501 1500 1502 1510 CONECT 1502 1501 1503 1509 CONECT 1503 1502 1504 1508 CONECT 1504 1503 1505 1507 CONECT 1505 1500 1504 1506 CONECT 1506 1505 CONECT 1507 1504 CONECT 1508 1503 CONECT 1509 1502 CONECT 1510 1501 CONECT 1511 1499 1512 CONECT 1512 1497 1511 CONECT 1513 1498 CONECT 1514 1492 CONECT 1515 1489 CONECT 1516 1483 CONECT 1517 1481 CONECT 1518 1444 MASTER 0 0 0 0 0 0 0 0 1517 1 78 11 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5h9p
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5h9r
RCSB PDB
PDBbind
158aa, >5H9R_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4y24
RCSB PDB
PDBbind
TD2
5e89
RCSB PDB
PDBbind
TD2
5h9q
RCSB PDB
PDBbind
TD2
Entry Information
PDB ID
5h9p
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Galectin-3 CRD
Ligand Name
TD2
EC.Number
E.C.-.-.-.-
Resolution
2.04(Å)
Affinity (Kd/Ki/IC50)
Kd=0.068uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 29457-29457
Ligand Properties
Formula
C
2
8
H
3
0
F
2
N
6
O
8
S
Molecular Weight
648.635
Exact Mass
648.181
No. of atoms
75
No. of bonds
80
Polar Surface Area
226.56
LOGP Value
0.24 (
Computed with XLOGP3
)
-0.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 6
Canonical SMILES
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@@H]([C@@H]([C@H]2O)n2nnc(c2)c2cccc(c2)F)O)[C@@H]([C@H]([C@H]1O)n1nnc(c1)c1cccc(c1)F)O
InChI String
InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P17931
Entrez Gene ID
NCBI Entrez Gene ID:
3958
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓