Browse entries in the PDBbind-CN Database
HEADER 5OAX_COMPLEX COMPND 5OAX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 MET 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 UNN A 359 78 ATOM 1 N MET A 113 5.204 3.321 10.780 1.00 26.17 N ATOM 2 CA MET A 113 5.044 4.520 9.708 1.00 32.16 C ATOM 3 C MET A 113 4.938 4.242 8.176 1.00 23.47 C ATOM 4 O MET A 113 5.961 3.793 7.563 1.00 22.73 O ATOM 5 CB MET A 113 6.152 5.550 9.820 1.00 23.28 C ATOM 6 HN3 MET A 113 6.074 2.789 10.576 1.00 0.00 H ATOM 7 HN2 MET A 113 4.384 2.685 10.712 1.00 0.00 H ATOM 8 HN1 MET A 113 5.257 3.720 11.739 1.00 0.00 H ATOM 9 N LEU A 114 3.772 4.684 7.557 1.00 18.86 N ATOM 10 CA LEU A 114 3.491 4.259 6.206 1.00 13.25 C ATOM 11 C LEU A 114 2.914 5.376 5.388 1.00 13.28 C ATOM 12 O LEU A 114 2.191 6.197 5.908 1.00 17.06 O ATOM 13 CB LEU A 114 2.512 3.045 6.220 1.00 13.87 C ATOM 14 CG LEU A 114 2.992 1.807 6.917 1.00 16.73 C ATOM 15 CD1 LEU A 114 1.913 0.751 6.884 1.00 17.16 C ATOM 16 CD2 LEU A 114 4.289 1.200 6.247 1.00 23.00 C ATOM 17 H LEU A 114 3.113 5.311 8.060 1.00 0.00 H ATOM 18 N ILE A 115 3.163 5.397 4.099 1.00 12.08 N ATOM 19 CA ILE A 115 2.554 6.390 3.199 1.00 12.68 C ATOM 20 C ILE A 115 1.074 6.094 2.998 1.00 12.73 C ATOM 21 O ILE A 115 0.695 4.988 2.619 1.00 17.91 O ATOM 22 CB ILE A 115 3.283 6.410 1.810 1.00 13.92 C ATOM 23 CG1 ILE A 115 4.669 7.018 1.941 1.00 15.45 C ATOM 24 CG2 ILE A 115 2.493 7.242 0.748 1.00 15.82 C ATOM 25 CD1 ILE A 115 5.560 6.991 0.666 1.00 16.59 C ATOM 26 H ILE A 115 3.812 4.689 3.701 1.00 0.00 H ATOM 27 N VAL A 116 0.254 7.128 3.104 1.00 11.55 N ATOM 28 CA VAL A 116 -1.145 7.067 2.854 1.00 10.38 C ATOM 29 C VAL A 116 -1.477 7.828 1.623 1.00 11.34 C ATOM 30 O VAL A 116 -1.001 9.005 1.518 1.00 13.14 O ATOM 31 CB VAL A 116 -1.910 7.630 4.117 1.00 12.73 C ATOM 32 CG1 VAL A 116 -3.338 7.668 3.913 1.00 13.98 C ATOM 33 CG2 VAL A 116 -1.520 6.868 5.360 1.00 14.33 C ATOM 34 H VAL A 116 0.658 8.043 3.388 1.00 0.00 H ATOM 35 N PRO A 117 -2.282 7.382 0.662 1.00 11.34 N ATOM 36 CA PRO A 117 -2.948 6.070 0.714 1.00 10.97 C ATOM 37 C PRO A 117 -2.000 4.907 0.616 1.00 11.08 C ATOM 38 O PRO A 117 -0.957 4.970 -0.049 1.00 14.99 O ATOM 39 CB PRO A 117 -3.865 6.078 -0.579 1.00 11.22 C ATOM 40 CG PRO A 117 -4.021 7.485 -0.887 1.00 11.78 C ATOM 41 CD PRO A 117 -2.811 8.216 -0.418 1.00 12.92 C ATOM 42 N TYR A 118 -2.366 3.824 1.268 1.00 9.13 N ATOM 43 CA TYR A 118 -1.552 2.597 1.355 1.00 9.10 C ATOM 44 C TYR A 118 -2.310 1.444 0.754 1.00 9.31 C ATOM 45 O TYR A 118 -3.480 1.282 1.007 1.00 12.40 O ATOM 46 CB TYR A 118 -1.201 2.256 2.815 1.00 9.60 C ATOM 47 CG TYR A 118 -0.193 1.170 3.029 1.00 9.45 C ATOM 48 CD1 TYR A 118 1.107 1.461 2.919 1.00 12.71 C ATOM 49 CD2 TYR A 118 -0.561 -0.135 3.225 1.00 11.57 C ATOM 50 CE1 TYR A 118 2.095 0.494 3.029 1.00 14.51 C ATOM 51 CE2 TYR A 118 0.402 -1.125 3.356 1.00 14.04 C ATOM 52 CZ TYR A 118 1.735 -0.804 3.269 1.00 14.60 C ATOM 53 OH TYR A 118 2.732 -1.778 3.375 1.00 21.59 O ATOM 54 HH TYR A 118 2.665 -2.223 4.257 1.00 0.00 H ATOM 55 H TYR A 118 -3.286 3.834 1.752 1.00 0.00 H ATOM 56 N ASN A 119 -1.629 0.626 -0.047 1.00 9.08 N ATOM 57 CA ASN A 119 -2.236 -0.595 -0.574 1.00 9.08 C ATOM 58 C ASN A 119 -1.551 -1.809 0.015 1.00 11.27 C ATOM 59 O ASN A 119 -0.350 -2.014 -0.106 1.00 14.46 O ATOM 60 CB ASN A 119 -2.045 -0.758 -2.041 1.00 8.83 C ATOM 61 CG ASN A 119 -2.532 -2.131 -2.558 1.00 9.99 C ATOM 62 OD1 ASN A 119 -3.675 -2.357 -2.482 1.00 11.20 O ATOM 63 ND2 ASN A 119 -1.659 -2.939 -3.119 1.00 17.90 N ATOM 64 HD22 ASN A 119 -0.653 -2.676 -3.153 1.00 0.00 H ATOM 65 HD21 ASN A 119 -1.974 -3.841 -3.529 1.00 0.00 H ATOM 66 H ASN A 119 -0.648 0.860 -0.302 1.00 0.00 H ATOM 67 N LEU A 120 -2.376 -2.600 0.704 1.00 9.45 N ATOM 68 CA LEU A 120 -1.946 -3.868 1.315 1.00 9.21 C ATOM 69 C LEU A 120 -2.455 -5.026 0.443 1.00 8.32 C ATOM 70 O LEU A 120 -3.660 -5.287 0.423 1.00 8.04 O ATOM 71 CB LEU A 120 -2.546 -4.001 2.725 1.00 10.50 C ATOM 72 CG LEU A 120 -2.235 -5.276 3.463 1.00 11.22 C ATOM 73 CD1 LEU A 120 -0.746 -5.402 3.765 1.00 15.02 C ATOM 74 CD2 LEU A 120 -3.039 -5.367 4.752 1.00 12.54 C ATOM 75 H LEU A 120 -3.368 -2.307 0.814 1.00 0.00 H ATOM 76 N PRO A 121 -1.565 -5.723 -0.274 1.00 8.41 N ATOM 77 CA PRO A 121 -2.018 -6.896 -1.004 1.00 8.21 C ATOM 78 C PRO A 121 -2.535 -7.953 -0.049 1.00 7.16 C ATOM 79 O PRO A 121 -1.975 -8.141 1.019 1.00 8.91 O ATOM 80 CB PRO A 121 -0.767 -7.398 -1.760 1.00 11.23 C ATOM 81 CG PRO A 121 0.157 -6.181 -1.767 1.00 14.08 C ATOM 82 CD PRO A 121 -0.139 -5.505 -0.454 1.00 11.25 C ATOM 83 N LEU A 122 -3.603 -8.674 -0.456 1.00 6.89 N ATOM 84 CA LEU A 122 -4.212 -9.783 0.293 1.00 6.58 C ATOM 85 C LEU A 122 -4.052 -11.008 -0.597 1.00 6.57 C ATOM 86 O LEU A 122 -4.899 -11.258 -1.456 1.00 6.88 O ATOM 87 CB LEU A 122 -5.651 -9.489 0.623 1.00 6.46 C ATOM 88 CG LEU A 122 -5.889 -8.135 1.355 1.00 6.77 C ATOM 89 CD1 LEU A 122 -7.373 -7.910 1.531 1.00 7.95 C ATOM 90 CD2 LEU A 122 -5.228 -8.070 2.690 1.00 9.02 C ATOM 91 H LEU A 122 -4.028 -8.425 -1.372 1.00 0.00 H ATOM 92 N PRO A 123 -2.927 -11.761 -0.481 1.00 6.91 N ATOM 93 CA PRO A 123 -2.626 -12.781 -1.492 1.00 6.78 C ATOM 94 C PRO A 123 -3.688 -13.883 -1.566 1.00 6.74 C ATOM 95 O PRO A 123 -3.965 -14.504 -0.607 1.00 7.94 O ATOM 96 CB PRO A 123 -1.261 -13.279 -1.067 1.00 8.63 C ATOM 97 CG PRO A 123 -0.658 -12.132 -0.305 1.00 7.90 C ATOM 98 CD PRO A 123 -1.812 -11.575 0.434 1.00 7.27 C ATOM 99 N GLY A 124 -4.260 -14.122 -2.728 1.00 7.20 N ATOM 100 CA GLY A 124 -5.291 -15.125 -2.829 1.00 7.60 C ATOM 101 C GLY A 124 -6.607 -14.683 -2.220 1.00 6.34 C ATOM 102 O GLY A 124 -7.497 -15.510 -2.007 1.00 7.58 O ATOM 103 H GLY A 124 -3.968 -13.588 -3.572 1.00 0.00 H ATOM 104 N GLY A 125 -6.778 -13.378 -2.013 1.00 6.52 N ATOM 105 CA GLY A 125 -8.001 -12.840 -1.453 1.00 6.53 C ATOM 106 C GLY A 125 -8.190 -13.157 0.017 1.00 6.14 C ATOM 107 O GLY A 125 -7.250 -13.483 0.718 1.00 8.40 O ATOM 108 H GLY A 125 -6.008 -12.724 -2.262 1.00 0.00 H ATOM 109 N VAL A 126 -9.407 -12.893 0.463 1.00 7.02 N ATOM 110 CA VAL A 126 -9.756 -13.144 1.834 1.00 7.32 C ATOM 111 C VAL A 126 -10.485 -14.471 1.998 1.00 7.70 C ATOM 112 O VAL A 126 -10.904 -15.089 1.028 1.00 8.31 O ATOM 113 CB VAL A 126 -10.542 -11.964 2.414 1.00 7.96 C ATOM 114 CG1 VAL A 126 -9.773 -10.632 2.288 1.00 9.24 C ATOM 115 CG2 VAL A 126 -11.969 -11.897 1.865 1.00 8.30 C ATOM 116 H VAL A 126 -10.119 -12.500 -0.185 1.00 0.00 H ATOM 117 N VAL A 127 -10.593 -14.879 3.265 1.00 8.65 N ATOM 118 CA VAL A 127 -11.120 -16.211 3.609 1.00 9.29 C ATOM 119 C VAL A 127 -11.598 -16.097 5.032 1.00 8.02 C ATOM 120 O VAL A 127 -10.993 -15.368 5.839 1.00 8.18 O ATOM 121 CB VAL A 127 -10.043 -17.274 3.445 1.00 10.29 C ATOM 122 CG1 VAL A 127 -8.871 -17.107 4.349 1.00 13.55 C ATOM 123 CG2 VAL A 127 -10.647 -18.684 3.517 1.00 12.73 C ATOM 124 H VAL A 127 -10.297 -14.239 4.030 1.00 0.00 H ATOM 125 N PRO A 128 -12.630 -16.841 5.418 1.00 8.42 N ATOM 126 CA PRO A 128 -12.956 -16.864 6.827 1.00 9.11 C ATOM 127 C PRO A 128 -11.756 -17.280 7.679 1.00 9.08 C ATOM 128 O PRO A 128 -10.940 -18.119 7.325 1.00 11.05 O ATOM 129 CB PRO A 128 -14.162 -17.808 6.934 1.00 11.83 C ATOM 130 CG PRO A 128 -14.775 -17.690 5.598 1.00 11.83 C ATOM 131 CD PRO A 128 -13.637 -17.610 4.651 1.00 10.38 C ATOM 132 N ARG A 129 -11.633 -16.566 8.837 1.00 8.67 N ATOM 133 CA ARG A 129 -10.529 -16.686 9.829 1.00 10.19 C ATOM 134 C ARG A 129 -9.390 -15.737 9.572 1.00 9.97 C ATOM 135 O ARG A 129 -8.467 -15.661 10.404 1.00 11.08 O ATOM 136 CB ARG A 129 -9.904 -18.092 9.987 1.00 11.26 C ATOM 137 CG ARG A 129 -10.973 -19.110 10.388 1.00 10.39 C ATOM 138 CD ARG A 129 -10.568 -20.330 11.169 1.00 13.03 C ATOM 139 NE ARG A 129 -10.163 -19.996 12.549 1.00 14.11 N ATOM 140 CZ ARG A 129 -11.009 -19.740 13.568 1.00 17.76 C ATOM 141 NH1 ARG A 129 -12.321 -19.834 13.456 1.00 26.27 N ATOM 142 NH2 ARG A 129 -10.473 -19.386 14.662 1.00 17.09 N ATOM 143 HE ARG A 129 -9.144 -19.955 12.752 1.00 0.00 H ATOM 144 HH12 ARG A 129 -12.929 -19.625 14.274 1.00 0.00 H ATOM 145 HH11 ARG A 129 -12.747 -20.117 12.550 1.00 0.00 H ATOM 146 HH22 ARG A 129 -11.068 -19.174 15.488 1.00 0.00 H ATOM 147 HH21 ARG A 129 -9.438 -19.308 14.733 1.00 0.00 H ATOM 148 H ARG A 129 -12.381 -15.874 9.045 1.00 0.00 H ATOM 149 N MET A 130 -9.416 -15.006 8.470 1.00 8.33 N ATOM 150 CA MET A 130 -8.401 -14.010 8.229 1.00 7.65 C ATOM 151 C MET A 130 -8.725 -12.733 9.027 1.00 6.93 C ATOM 152 O MET A 130 -9.854 -12.193 8.916 1.00 7.42 O ATOM 153 CB MET A 130 -8.344 -13.719 6.718 1.00 7.66 C ATOM 154 CG MET A 130 -7.163 -12.933 6.306 1.00 7.66 C ATOM 155 SD MET A 130 -7.065 -12.821 4.520 1.00 7.80 S ATOM 156 CE MET A 130 -5.566 -11.907 4.362 1.00 7.69 C ATOM 157 H MET A 130 -10.174 -15.150 7.772 1.00 0.00 H ATOM 158 N LEU A 131 -7.768 -12.264 9.768 1.00 8.16 N ATOM 159 CA LEU A 131 -7.880 -11.036 10.613 1.00 7.62 C ATOM 160 C LEU A 131 -6.915 -9.997 10.084 1.00 7.99 C ATOM 161 O LEU A 131 -5.713 -10.219 10.016 1.00 9.98 O ATOM 162 CB LEU A 131 -7.494 -11.437 12.067 1.00 8.96 C ATOM 163 CG LEU A 131 -7.557 -10.267 13.044 1.00 9.97 C ATOM 164 CD1 LEU A 131 -8.979 -9.769 13.254 1.00 10.64 C ATOM 165 CD2 LEU A 131 -6.942 -10.717 14.384 1.00 12.61 C ATOM 166 H LEU A 131 -6.863 -12.777 9.774 1.00 0.00 H ATOM 167 N ILE A 132 -7.478 -8.839 9.737 1.00 6.99 N ATOM 168 CA ILE A 132 -6.706 -7.692 9.254 1.00 7.46 C ATOM 169 C ILE A 132 -6.646 -6.645 10.370 1.00 7.81 C ATOM 170 O ILE A 132 -7.698 -6.310 10.886 1.00 9.86 O ATOM 171 CB ILE A 132 -7.293 -7.112 7.971 1.00 9.83 C ATOM 172 CG1 ILE A 132 -7.323 -8.255 6.818 1.00 13.38 C ATOM 173 CG2 ILE A 132 -6.485 -5.933 7.545 1.00 17.01 C ATOM 174 CD1 ILE A 132 -8.661 -8.965 6.634 1.00 13.99 C ATOM 175 H ILE A 132 -8.511 -8.746 9.813 1.00 0.00 H ATOM 176 N THR A 133 -5.460 -6.190 10.710 1.00 8.07 N ATOM 177 CA THR A 133 -5.287 -5.178 11.763 1.00 8.13 C ATOM 178 C THR A 133 -4.645 -3.949 11.198 1.00 8.43 C ATOM 179 O THR A 133 -3.565 -4.010 10.583 1.00 10.80 O ATOM 180 CB THR A 133 -4.455 -5.790 12.937 1.00 9.29 C ATOM 181 OG1 THR A 133 -5.085 -6.953 13.456 1.00 10.09 O ATOM 182 CG2 THR A 133 -4.280 -4.771 14.042 1.00 11.41 C ATOM 183 HG1 THR A 133 -5.168 -7.630 12.738 1.00 0.00 H ATOM 184 H THR A 133 -4.619 -6.557 10.220 1.00 0.00 H ATOM 185 N ILE A 134 -5.270 -2.810 11.481 1.00 7.87 N ATOM 186 CA ILE A 134 -4.788 -1.473 11.081 1.00 7.75 C ATOM 187 C ILE A 134 -4.549 -0.658 12.327 1.00 8.09 C ATOM 188 O ILE A 134 -5.486 -0.492 13.142 1.00 9.17 O ATOM 189 CB ILE A 134 -5.803 -0.738 10.200 1.00 8.99 C ATOM 190 CG1 ILE A 134 -6.244 -1.607 9.026 1.00 9.02 C ATOM 191 CG2 ILE A 134 -5.244 0.568 9.660 1.00 9.78 C ATOM 192 CD1 ILE A 134 -5.077 -2.072 8.153 1.00 8.94 C ATOM 193 H ILE A 134 -6.158 -2.865 12.020 1.00 0.00 H ATOM 194 N LEU A 135 -3.320 -0.174 12.503 1.00 7.59 N ATOM 195 CA LEU A 135 -2.981 0.742 13.650 1.00 7.67 C ATOM 196 C LEU A 135 -2.639 2.073 13.086 1.00 7.19 C ATOM 197 O LEU A 135 -1.847 2.162 12.126 1.00 8.23 O ATOM 198 CB LEU A 135 -1.778 0.208 14.432 1.00 10.27 C ATOM 199 CG LEU A 135 -2.001 -1.108 15.190 1.00 12.46 C ATOM 200 CD1 LEU A 135 -0.618 -1.595 15.706 1.00 19.16 C ATOM 201 CD2 LEU A 135 -2.874 -0.833 16.361 1.00 17.28 C ATOM 202 H LEU A 135 -2.573 -0.436 11.829 1.00 0.00 H ATOM 203 N GLY A 136 -3.180 3.121 13.635 1.00 7.84 N ATOM 204 CA GLY A 136 -2.797 4.482 13.203 1.00 9.50 C ATOM 205 C GLY A 136 -3.282 5.476 14.240 1.00 8.91 C ATOM 206 O GLY A 136 -3.834 5.100 15.283 1.00 10.13 O ATOM 207 H GLY A 136 -3.889 3.000 14.386 1.00 0.00 H ATOM 208 N THR A 137 -3.125 6.745 13.889 1.00 8.33 N ATOM 209 CA THR A 137 -3.547 7.858 14.727 1.00 7.37 C ATOM 210 C THR A 137 -4.357 8.790 13.849 1.00 7.54 C ATOM 211 O THR A 137 -3.929 9.151 12.725 1.00 9.02 O ATOM 212 CB THR A 137 -2.382 8.564 15.415 1.00 8.79 C ATOM 213 OG1 THR A 137 -1.714 7.604 16.217 1.00 12.25 O ATOM 214 CG2 THR A 137 -2.837 9.730 16.240 1.00 9.65 C ATOM 215 HG1 THR A 137 -0.951 8.034 16.678 1.00 0.00 H ATOM 216 H THR A 137 -2.680 6.955 12.973 1.00 0.00 H ATOM 217 N VAL A 138 -5.545 9.216 14.292 1.00 7.49 N ATOM 218 CA VAL A 138 -6.320 10.164 13.517 1.00 7.70 C ATOM 219 C VAL A 138 -5.682 11.534 13.556 1.00 8.45 C ATOM 220 O VAL A 138 -5.263 11.977 14.632 1.00 9.92 O ATOM 221 CB VAL A 138 -7.792 10.254 14.064 1.00 8.03 C ATOM 222 CG1 VAL A 138 -8.616 11.209 13.204 1.00 9.36 C ATOM 223 CG2 VAL A 138 -8.434 8.882 14.056 1.00 8.97 C ATOM 224 H VAL A 138 -5.915 8.865 15.198 1.00 0.00 H ATOM 225 N LYS A 139 -5.582 12.207 12.411 1.00 8.25 N ATOM 226 CA LYS A 139 -5.059 13.573 12.380 1.00 10.27 C ATOM 227 C LYS A 139 -5.922 14.514 13.163 1.00 10.70 C ATOM 228 O LYS A 139 -7.143 14.301 13.303 1.00 10.63 O ATOM 229 CB LYS A 139 -4.978 14.051 10.956 1.00 10.71 C ATOM 230 CG LYS A 139 -3.978 13.318 10.169 1.00 12.11 C ATOM 231 CD LYS A 139 -3.909 13.724 8.691 1.00 14.13 C ATOM 232 CE LYS A 139 -2.707 13.237 7.965 1.00 17.45 C ATOM 233 NZ LYS A 139 -2.655 13.813 6.579 1.00 20.55 N ATOM 234 HZ1 LYS A 139 -3.505 13.526 6.053 1.00 0.00 H ATOM 235 HZ2 LYS A 139 -2.616 14.851 6.637 1.00 0.00 H ATOM 236 HZ3 LYS A 139 -1.808 13.460 6.090 1.00 0.00 H ATOM 237 H LYS A 139 -5.881 11.754 11.524 1.00 0.00 H ATOM 238 N PRO A 140 -5.332 15.722 13.519 1.00 13.04 N ATOM 239 CA PRO A 140 -6.042 16.684 14.394 1.00 15.44 C ATOM 240 C PRO A 140 -7.420 17.147 13.919 1.00 19.38 C ATOM 241 O PRO A 140 -8.348 17.436 14.768 1.00 22.61 O ATOM 242 CB PRO A 140 -5.101 17.895 14.434 1.00 15.99 C ATOM 243 CG PRO A 140 -3.977 17.571 13.665 1.00 16.74 C ATOM 244 CD PRO A 140 -3.970 16.172 13.180 1.00 15.15 C ATOM 245 N ASN A 141 -7.572 17.401 12.619 1.00 17.06 N ATOM 246 CA ASN A 141 -8.834 18.058 12.249 1.00 16.84 C ATOM 247 C ASN A 141 -9.562 17.192 11.237 1.00 15.51 C ATOM 248 O ASN A 141 -10.034 17.642 10.188 1.00 12.38 O ATOM 249 CB ASN A 141 -8.572 19.504 11.735 1.00 22.88 C ATOM 250 CG ASN A 141 -8.743 20.594 12.845 1.00 33.91 C ATOM 251 OD1 ASN A 141 -7.769 21.278 13.149 1.00 39.25 O ATOM 252 ND2 ASN A 141 -9.932 20.645 13.517 1.00 36.68 N ATOM 253 HD22 ASN A 141 -10.725 20.043 13.217 1.00 0.00 H ATOM 254 HD21 ASN A 141 -10.044 21.286 14.329 1.00 0.00 H ATOM 255 H ASN A 141 -6.848 17.152 11.915 1.00 0.00 H ATOM 256 N ALA A 142 -9.614 15.884 11.521 1.00 16.36 N ATOM 257 CA ALA A 142 -9.883 14.898 10.456 1.00 12.16 C ATOM 258 C ALA A 142 -11.264 15.134 9.886 1.00 10.93 C ATOM 259 O ALA A 142 -12.190 15.499 10.571 1.00 12.33 O ATOM 260 CB ALA A 142 -9.765 13.531 11.039 1.00 11.50 C ATOM 261 H ALA A 142 -9.464 15.561 12.498 1.00 0.00 H ATOM 262 N ASN A 143 -11.385 14.829 8.598 1.00 9.93 N ATOM 263 CA ASN A 143 -12.639 14.822 7.895 1.00 9.57 C ATOM 264 C ASN A 143 -13.109 13.373 7.586 1.00 9.00 C ATOM 265 O ASN A 143 -14.299 13.094 7.696 1.00 8.93 O ATOM 266 CB ASN A 143 -12.502 15.595 6.574 1.00 13.25 C ATOM 267 CG ASN A 143 -13.817 15.770 5.924 1.00 16.64 C ATOM 268 OD1 ASN A 143 -14.683 16.480 6.401 1.00 21.23 O ATOM 269 ND2 ASN A 143 -14.014 15.064 4.897 1.00 24.67 N ATOM 270 HD22 ASN A 143 -13.248 14.470 4.520 1.00 0.00 H ATOM 271 HD21 ASN A 143 -14.942 15.076 4.428 1.00 0.00 H ATOM 272 H ASN A 143 -10.524 14.582 8.069 1.00 0.00 H ATOM 273 N ARG A 144 -12.201 12.486 7.169 1.00 8.80 N ATOM 274 CA ARG A 144 -12.653 11.140 6.785 1.00 8.64 C ATOM 275 C ARG A 144 -11.519 10.172 6.821 1.00 9.77 C ATOM 276 O ARG A 144 -10.306 10.538 6.797 1.00 11.70 O ATOM 277 CB ARG A 144 -13.127 11.187 5.358 1.00 10.74 C ATOM 278 CG ARG A 144 -11.945 11.382 4.368 1.00 12.97 C ATOM 279 CD ARG A 144 -12.435 11.436 2.923 1.00 13.49 C ATOM 280 NE ARG A 144 -13.056 10.210 2.393 1.00 11.07 N ATOM 281 CZ ARG A 144 -12.438 9.184 1.787 1.00 12.73 C ATOM 282 NH1 ARG A 144 -11.113 9.090 1.652 1.00 14.14 N ATOM 283 NH2 ARG A 144 -13.202 8.250 1.343 1.00 11.76 N ATOM 284 HE ARG A 144 -14.087 10.130 2.500 1.00 0.00 H ATOM 285 HH12 ARG A 144 -10.696 8.267 1.171 1.00 0.00 H ATOM 286 HH11 ARG A 144 -10.498 9.839 2.028 1.00 0.00 H ATOM 287 HH22 ARG A 144 -12.789 7.425 0.863 1.00 0.00 H ATOM 288 HH21 ARG A 144 -14.233 8.319 1.464 1.00 0.00 H ATOM 289 H ARG A 144 -11.194 12.742 7.117 1.00 0.00 H ATOM 290 N ILE A 145 -11.896 8.887 6.938 1.00 8.85 N ATOM 291 CA ILE A 145 -11.002 7.717 6.818 1.00 8.79 C ATOM 292 C ILE A 145 -11.715 6.780 5.850 1.00 7.35 C ATOM 293 O ILE A 145 -12.931 6.699 5.853 1.00 7.31 O ATOM 294 CB ILE A 145 -10.803 7.043 8.208 1.00 10.52 C ATOM 295 CG1 ILE A 145 -10.206 8.073 9.137 1.00 14.16 C ATOM 296 CG2 ILE A 145 -9.940 5.814 8.072 1.00 13.91 C ATOM 297 CD1 ILE A 145 -10.231 7.577 10.577 1.00 15.57 C ATOM 298 H ILE A 145 -12.901 8.701 7.129 1.00 0.00 H ATOM 299 N ALA A 146 -10.939 5.968 5.120 1.00 7.64 N ATOM 300 CA ALA A 146 -11.551 4.896 4.334 1.00 7.45 C ATOM 301 C ALA A 146 -10.663 3.663 4.287 1.00 6.73 C ATOM 302 O ALA A 146 -9.464 3.717 4.058 1.00 8.46 O ATOM 303 CB ALA A 146 -11.856 5.326 2.938 1.00 9.12 C ATOM 304 H ALA A 146 -9.907 6.099 5.112 1.00 0.00 H ATOM 305 N LEU A 147 -11.332 2.519 4.508 1.00 6.12 N ATOM 306 CA LEU A 147 -10.784 1.185 4.143 1.00 5.87 C ATOM 307 C LEU A 147 -11.560 0.714 2.955 1.00 6.26 C ATOM 308 O LEU A 147 -12.798 0.704 2.986 1.00 8.52 O ATOM 309 CB LEU A 147 -10.971 0.163 5.259 1.00 5.93 C ATOM 310 CG LEU A 147 -10.429 0.553 6.601 1.00 6.91 C ATOM 311 CD1 LEU A 147 -10.772 -0.586 7.557 1.00 7.85 C ATOM 312 CD2 LEU A 147 -8.909 0.897 6.462 1.00 7.76 C ATOM 313 H LEU A 147 -12.271 2.568 4.952 1.00 0.00 H ATOM 314 N ASP A 148 -10.870 0.239 1.918 1.00 6.08 N ATOM 315 CA ASP A 148 -11.475 -0.276 0.684 1.00 6.03 C ATOM 316 C ASP A 148 -10.921 -1.680 0.394 1.00 6.15 C ATOM 317 O ASP A 148 -9.800 -1.799 -0.082 1.00 6.94 O ATOM 318 CB ASP A 148 -11.242 0.688 -0.471 1.00 7.32 C ATOM 319 CG ASP A 148 -12.010 1.947 -0.340 1.00 7.81 C ATOM 320 OD1 ASP A 148 -13.205 1.924 -0.548 1.00 11.07 O ATOM 321 OD2 ASP A 148 -11.419 3.015 0.007 1.00 11.37 O ATOM 322 H ASP A 148 -9.832 0.233 1.988 1.00 0.00 H ATOM 323 N PHE A 149 -11.729 -2.691 0.706 1.00 5.66 N ATOM 324 CA PHE A 149 -11.399 -4.087 0.310 1.00 5.55 C ATOM 325 C PHE A 149 -11.830 -4.240 -1.152 1.00 5.70 C ATOM 326 O PHE A 149 -13.040 -4.177 -1.427 1.00 6.87 O ATOM 327 CB PHE A 149 -12.102 -5.093 1.188 1.00 6.84 C ATOM 328 CG PHE A 149 -11.549 -5.143 2.612 1.00 6.91 C ATOM 329 CD1 PHE A 149 -12.015 -4.301 3.612 1.00 6.98 C ATOM 330 CD2 PHE A 149 -10.553 -6.038 2.933 1.00 7.80 C ATOM 331 CE1 PHE A 149 -11.477 -4.350 4.866 1.00 7.97 C ATOM 332 CE2 PHE A 149 -10.032 -6.138 4.199 1.00 9.43 C ATOM 333 CZ PHE A 149 -10.504 -5.318 5.175 1.00 9.30 C ATOM 334 H PHE A 149 -12.604 -2.502 1.235 1.00 0.00 H ATOM 335 N GLN A 150 -10.863 -4.404 -2.051 1.00 5.93 N ATOM 336 CA GLN A 150 -11.181 -4.347 -3.462 1.00 5.85 C ATOM 337 C GLN A 150 -11.014 -5.701 -4.186 1.00 5.34 C ATOM 338 O GLN A 150 -10.160 -6.496 -3.873 1.00 6.51 O ATOM 339 CB GLN A 150 -10.297 -3.318 -4.107 1.00 5.74 C ATOM 340 CG GLN A 150 -10.529 -1.913 -3.618 1.00 6.27 C ATOM 341 CD GLN A 150 -9.156 -1.077 -3.585 1.00 9.54 C ATOM 342 OE1 GLN A 150 -9.235 0.113 -3.971 1.00 21.28 O ATOM 343 NE2 GLN A 150 -8.067 -1.549 -3.179 1.00 9.60 N ATOM 344 HE22 GLN A 150 -8.015 -2.538 -2.861 1.00 0.00 H ATOM 345 HE21 GLN A 150 -7.216 -0.951 -3.160 1.00 0.00 H ATOM 346 H GLN A 150 -9.884 -4.572 -1.742 1.00 0.00 H ATOM 347 N ARG A 151 -11.939 -5.874 -5.156 1.00 5.78 N ATOM 348 CA ARG A 151 -11.885 -6.990 -6.110 1.00 5.86 C ATOM 349 C ARG A 151 -11.692 -6.324 -7.511 1.00 5.87 C ATOM 350 O ARG A 151 -12.671 -5.852 -8.099 1.00 5.92 O ATOM 351 CB ARG A 151 -13.180 -7.777 -6.064 1.00 6.12 C ATOM 352 CG ARG A 151 -13.281 -8.836 -7.182 1.00 6.72 C ATOM 353 CD ARG A 151 -14.472 -9.745 -7.004 1.00 7.96 C ATOM 354 NE ARG A 151 -14.639 -10.643 -8.099 1.00 7.53 N ATOM 355 CZ ARG A 151 -15.419 -10.461 -9.152 1.00 7.63 C ATOM 356 NH1 ARG A 151 -16.337 -9.534 -9.241 1.00 8.96 N ATOM 357 NH2 ARG A 151 -15.296 -11.315 -10.208 1.00 8.61 N ATOM 358 HE ARG A 151 -14.094 -11.528 -8.067 1.00 0.00 H ATOM 359 HH12 ARG A 151 -16.912 -9.453 -10.104 1.00 0.00 H ATOM 360 HH11 ARG A 151 -16.492 -8.878 -8.449 1.00 0.00 H ATOM 361 HH22 ARG A 151 -15.897 -11.194 -11.048 1.00 0.00 H ATOM 362 HH21 ARG A 151 -14.601 -12.088 -10.174 1.00 0.00 H ATOM 363 H ARG A 151 -12.719 -5.191 -5.230 1.00 0.00 H ATOM 364 N GLY A 152 -10.453 -6.205 -7.921 1.00 6.15 N ATOM 365 CA GLY A 152 -10.151 -5.369 -9.088 1.00 7.27 C ATOM 366 C GLY A 152 -10.651 -3.923 -8.861 1.00 6.78 C ATOM 367 O GLY A 152 -10.392 -3.347 -7.838 1.00 8.32 O ATOM 368 H GLY A 152 -9.687 -6.701 -7.421 1.00 0.00 H ATOM 369 N ASN A 153 -11.409 -3.411 -9.851 1.00 6.46 N ATOM 370 CA ASN A 153 -12.016 -2.072 -9.718 1.00 6.53 C ATOM 371 C ASN A 153 -13.209 -2.065 -8.762 1.00 6.17 C ATOM 372 O ASN A 153 -13.655 -0.932 -8.420 1.00 8.26 O ATOM 373 CB ASN A 153 -12.404 -1.537 -11.086 1.00 7.18 C ATOM 374 CG ASN A 153 -12.909 -0.104 -11.040 1.00 7.69 C ATOM 375 OD1 ASN A 153 -12.110 0.805 -10.679 1.00 9.87 O ATOM 376 ND2 ASN A 153 -14.150 0.129 -11.449 1.00 9.41 N ATOM 377 HD22 ASN A 153 -14.761 -0.663 -11.734 1.00 0.00 H ATOM 378 HD21 ASN A 153 -14.511 1.104 -11.485 1.00 0.00 H ATOM 379 H ASN A 153 -11.568 -3.965 -10.717 1.00 0.00 H ATOM 380 N ASP A 154 -13.788 -3.174 -8.435 1.00 6.14 N ATOM 381 CA ASP A 154 -14.919 -3.172 -7.510 1.00 5.47 C ATOM 382 C ASP A 154 -14.405 -3.031 -6.078 1.00 5.76 C ATOM 383 O ASP A 154 -13.314 -3.429 -5.715 1.00 6.45 O ATOM 384 CB ASP A 154 -15.746 -4.442 -7.674 1.00 6.63 C ATOM 385 CG ASP A 154 -16.617 -4.444 -8.906 1.00 7.19 C ATOM 386 OD1 ASP A 154 -16.674 -3.428 -9.661 1.00 7.64 O ATOM 387 OD2 ASP A 154 -17.255 -5.506 -9.153 1.00 7.95 O ATOM 388 H ASP A 154 -13.447 -4.072 -8.833 1.00 0.00 H ATOM 389 N VAL A 155 -15.293 -2.447 -5.255 1.00 5.90 N ATOM 390 CA VAL A 155 -15.021 -2.309 -3.804 1.00 6.11 C ATOM 391 C VAL A 155 -16.003 -3.236 -3.113 1.00 5.27 C ATOM 392 O VAL A 155 -17.197 -2.962 -3.018 1.00 6.60 O ATOM 393 CB VAL A 155 -15.113 -0.866 -3.256 1.00 6.96 C ATOM 394 CG1 VAL A 155 -14.752 -0.904 -1.775 1.00 7.45 C ATOM 395 CG2 VAL A 155 -14.158 0.046 -4.023 1.00 8.75 C ATOM 396 H VAL A 155 -16.187 -2.085 -5.643 1.00 0.00 H ATOM 397 N ALA A 156 -15.500 -4.390 -2.654 1.00 5.79 N ATOM 398 CA ALA A 156 -16.351 -5.324 -1.917 1.00 5.84 C ATOM 399 C ALA A 156 -16.865 -4.772 -0.626 1.00 5.38 C ATOM 400 O ALA A 156 -18.005 -4.994 -0.237 1.00 6.12 O ATOM 401 CB ALA A 156 -15.561 -6.625 -1.637 1.00 6.23 C ATOM 402 H ALA A 156 -14.500 -4.623 -2.822 1.00 0.00 H ATOM 403 N PHE A 157 -15.997 -4.060 0.113 1.00 5.50 N ATOM 404 CA PHE A 157 -16.332 -3.487 1.406 1.00 5.15 C ATOM 405 C PHE A 157 -15.582 -2.189 1.590 1.00 5.37 C ATOM 406 O PHE A 157 -14.357 -2.185 1.687 1.00 5.88 O ATOM 407 CB PHE A 157 -16.004 -4.498 2.533 1.00 6.45 C ATOM 408 CG PHE A 157 -16.220 -4.014 3.943 1.00 5.49 C ATOM 409 CD1 PHE A 157 -17.321 -3.246 4.300 1.00 6.69 C ATOM 410 CD2 PHE A 157 -15.383 -4.393 4.953 1.00 6.38 C ATOM 411 CE1 PHE A 157 -17.528 -2.839 5.611 1.00 6.96 C ATOM 412 CE2 PHE A 157 -15.578 -3.980 6.273 1.00 6.37 C ATOM 413 CZ PHE A 157 -16.656 -3.227 6.603 1.00 6.43 C ATOM 414 H PHE A 157 -15.037 -3.912 -0.259 1.00 0.00 H ATOM 415 N HIS A 158 -16.366 -1.101 1.597 1.00 5.69 N ATOM 416 CA HIS A 158 -15.912 0.269 1.882 1.00 5.64 C ATOM 417 C HIS A 158 -16.402 0.593 3.315 1.00 6.03 C ATOM 418 O HIS A 158 -17.590 0.491 3.571 1.00 7.44 O ATOM 419 CB HIS A 158 -16.582 1.206 0.881 1.00 6.84 C ATOM 420 CG HIS A 158 -16.356 2.681 0.998 1.00 6.73 C ATOM 421 ND1 HIS A 158 -15.184 3.297 0.659 1.00 7.18 N ATOM 422 CD2 HIS A 158 -17.234 3.674 1.336 1.00 7.47 C ATOM 423 CE1 HIS A 158 -15.399 4.623 0.736 1.00 8.64 C ATOM 424 NE2 HIS A 158 -16.619 4.883 1.151 1.00 8.58 N ATOM 425 H HIS A 158 -17.375 -1.236 1.384 1.00 0.00 H ATOM 426 N PHE A 159 -15.435 0.941 4.154 1.00 5.63 N ATOM 427 CA PHE A 159 -15.644 1.280 5.561 1.00 5.66 C ATOM 428 C PHE A 159 -15.176 2.706 5.716 1.00 5.97 C ATOM 429 O PHE A 159 -13.971 2.968 5.600 1.00 6.18 O ATOM 430 CB PHE A 159 -14.891 0.313 6.467 1.00 6.16 C ATOM 431 CG PHE A 159 -14.883 0.659 7.950 1.00 6.07 C ATOM 432 CD1 PHE A 159 -15.901 0.229 8.778 1.00 6.77 C ATOM 433 CD2 PHE A 159 -13.888 1.451 8.492 1.00 6.64 C ATOM 434 CE1 PHE A 159 -15.875 0.507 10.119 1.00 7.29 C ATOM 435 CE2 PHE A 159 -13.840 1.717 9.848 1.00 6.98 C ATOM 436 CZ PHE A 159 -14.833 1.281 10.676 1.00 7.43 C ATOM 437 H PHE A 159 -14.463 0.975 3.786 1.00 0.00 H ATOM 438 N ASN A 160 -16.116 3.666 5.921 1.00 6.23 N ATOM 439 CA ASN A 160 -15.820 5.087 5.768 1.00 5.75 C ATOM 440 C ASN A 160 -16.343 5.917 6.927 1.00 6.18 C ATOM 441 O ASN A 160 -17.419 6.526 6.855 1.00 7.50 O ATOM 442 CB ASN A 160 -16.423 5.519 4.445 1.00 6.69 C ATOM 443 CG ASN A 160 -16.353 7.035 4.109 1.00 8.03 C ATOM 444 OD1 ASN A 160 -17.285 7.544 3.482 1.00 9.26 O ATOM 445 ND2 ASN A 160 -15.301 7.724 4.506 1.00 8.59 N ATOM 446 HD22 ASN A 160 -14.539 7.252 5.033 1.00 0.00 H ATOM 447 HD21 ASN A 160 -15.234 8.740 4.292 1.00 0.00 H ATOM 448 H ASN A 160 -17.077 3.379 6.196 1.00 0.00 H ATOM 449 N PRO A 161 -15.536 6.063 7.980 1.00 6.72 N ATOM 450 CA PRO A 161 -15.811 7.076 9.030 1.00 7.06 C ATOM 451 C PRO A 161 -15.758 8.520 8.429 1.00 7.47 C ATOM 452 O PRO A 161 -14.800 8.917 7.782 1.00 7.90 O ATOM 453 CB PRO A 161 -14.650 6.902 10.010 1.00 8.07 C ATOM 454 CG PRO A 161 -14.221 5.444 9.805 1.00 8.04 C ATOM 455 CD PRO A 161 -14.363 5.231 8.328 1.00 7.26 C ATOM 456 N ARG A 162 -16.855 9.245 8.685 1.00 7.96 N ATOM 457 CA ARG A 162 -17.019 10.666 8.325 1.00 8.99 C ATOM 458 C ARG A 162 -17.169 11.441 9.585 1.00 8.68 C ATOM 459 O ARG A 162 -18.047 11.230 10.402 1.00 9.12 O ATOM 460 CB ARG A 162 -18.234 10.816 7.448 1.00 10.16 C ATOM 461 CG ARG A 162 -18.202 10.029 6.142 1.00 8.48 C ATOM 462 CD ARG A 162 -19.403 10.223 5.296 1.00 9.46 C ATOM 463 NE ARG A 162 -19.291 9.396 4.099 1.00 9.53 N ATOM 464 CZ ARG A 162 -20.165 9.359 3.136 1.00 9.90 C ATOM 465 NH1 ARG A 162 -21.262 10.149 3.139 1.00 11.01 N ATOM 466 NH2 ARG A 162 -19.999 8.532 2.097 1.00 11.12 N ATOM 467 HE ARG A 162 -18.450 8.791 4.009 1.00 0.00 H ATOM 468 HH12 ARG A 162 -21.943 10.096 2.355 1.00 0.00 H ATOM 469 HH11 ARG A 162 -21.425 10.809 3.926 1.00 0.00 H ATOM 470 HH22 ARG A 162 -20.703 8.510 1.332 1.00 0.00 H ATOM 471 HH21 ARG A 162 -19.166 7.911 2.054 1.00 0.00 H ATOM 472 H ARG A 162 -17.645 8.774 9.171 1.00 0.00 H ATOM 473 N PHE A 163 -16.248 12.407 9.781 1.00 8.73 N ATOM 474 CA PHE A 163 -16.165 13.244 10.996 1.00 8.64 C ATOM 475 C PHE A 163 -17.049 14.428 11.015 1.00 9.08 C ATOM 476 O PHE A 163 -17.307 14.992 12.077 1.00 9.83 O ATOM 477 CB PHE A 163 -14.745 13.640 11.270 1.00 9.71 C ATOM 478 CG PHE A 163 -13.828 12.492 11.703 1.00 9.24 C ATOM 479 CD1 PHE A 163 -13.329 11.586 10.807 1.00 9.31 C ATOM 480 CD2 PHE A 163 -13.476 12.323 13.044 1.00 9.51 C ATOM 481 CE1 PHE A 163 -12.542 10.559 11.179 1.00 9.79 C ATOM 482 CE2 PHE A 163 -12.640 11.258 13.419 1.00 10.88 C ATOM 483 CZ PHE A 163 -12.192 10.392 12.462 1.00 10.15 C ATOM 484 H PHE A 163 -15.551 12.574 9.028 1.00 0.00 H ATOM 485 N ASN A 164 -17.571 14.833 9.842 1.00 9.85 N ATOM 486 CA ASN A 164 -18.398 16.026 9.740 1.00 10.45 C ATOM 487 C ASN A 164 -19.296 15.940 8.559 1.00 10.56 C ATOM 488 O ASN A 164 -19.033 16.577 7.507 1.00 13.54 O ATOM 489 CB ASN A 164 -17.561 17.299 9.719 1.00 13.70 C ATOM 490 CG ASN A 164 -18.452 18.562 9.701 1.00 15.61 C ATOM 491 OD1 ASN A 164 -19.682 18.519 9.740 1.00 17.54 O ATOM 492 ND2 ASN A 164 -17.786 19.714 9.564 1.00 26.40 N ATOM 493 HD22 ASN A 164 -16.746 19.713 9.535 1.00 0.00 H ATOM 494 HD21 ASN A 164 -18.308 20.610 9.487 1.00 0.00 H ATOM 495 H ASN A 164 -17.378 14.277 8.984 1.00 0.00 H ATOM 496 N GLU A 165 -20.358 15.135 8.661 1.00 9.93 N ATOM 497 CA GLU A 165 -21.368 15.064 7.634 1.00 11.43 C ATOM 498 C GLU A 165 -22.579 15.829 8.235 1.00 10.32 C ATOM 499 O GLU A 165 -23.232 15.355 9.140 1.00 11.15 O ATOM 500 CB GLU A 165 -21.732 13.636 7.318 1.00 11.94 C ATOM 501 CG GLU A 165 -22.769 13.580 6.173 1.00 13.20 C ATOM 502 CD GLU A 165 -23.281 12.228 5.893 1.00 12.88 C ATOM 503 OE1 GLU A 165 -24.010 11.707 6.794 1.00 15.79 O ATOM 504 OE2 GLU A 165 -23.018 11.634 4.831 1.00 14.43 O ATOM 505 H GLU A 165 -20.459 14.541 9.508 1.00 0.00 H ATOM 506 N ASN A 166 -22.797 17.096 7.823 1.00 13.09 N ATOM 507 CA ASN A 166 -23.810 17.954 8.436 1.00 13.52 C ATOM 508 C ASN A 166 -23.633 18.008 9.986 1.00 11.39 C ATOM 509 O ASN A 166 -24.614 18.004 10.726 1.00 13.01 O ATOM 510 CB ASN A 166 -25.168 17.524 8.013 1.00 18.68 C ATOM 511 CG ASN A 166 -25.353 17.509 6.484 1.00 27.43 C ATOM 512 OD1 ASN A 166 -25.858 16.535 5.887 1.00 43.87 O ATOM 513 ND2 ASN A 166 -24.847 18.562 5.805 1.00 31.65 N ATOM 514 HD22 ASN A 166 -24.431 19.363 6.322 1.00 0.00 H ATOM 515 HD21 ASN A 166 -24.874 18.572 4.765 1.00 0.00 H ATOM 516 H ASN A 166 -22.224 17.475 7.042 1.00 0.00 H ATOM 517 N ASN A 167 -22.355 18.139 10.421 1.00 10.53 N ATOM 518 CA ASN A 167 -22.030 18.323 11.817 1.00 10.38 C ATOM 519 C ASN A 167 -22.332 17.095 12.675 1.00 10.09 C ATOM 520 O ASN A 167 -22.431 17.185 13.908 1.00 11.11 O ATOM 521 CB ASN A 167 -22.646 19.616 12.403 1.00 10.62 C ATOM 522 CG ASN A 167 -22.201 20.828 11.643 1.00 12.72 C ATOM 523 OD1 ASN A 167 -23.110 21.595 11.134 1.00 16.86 O ATOM 524 ND2 ASN A 167 -20.962 20.995 11.461 1.00 15.38 N ATOM 525 HD22 ASN A 167 -20.280 20.343 11.898 1.00 0.00 H ATOM 526 HD21 ASN A 167 -20.624 21.784 10.874 1.00 0.00 H ATOM 527 H ASN A 167 -21.582 18.106 9.726 1.00 0.00 H ATOM 528 N ARG A 168 -22.388 15.927 12.014 1.00 10.38 N ATOM 529 CA ARG A 168 -22.530 14.669 12.719 1.00 9.45 C ATOM 530 C ARG A 168 -21.432 13.735 12.274 1.00 9.17 C ATOM 531 O ARG A 168 -20.819 13.912 11.192 1.00 11.13 O ATOM 532 CB ARG A 168 -23.914 14.042 12.513 1.00 11.40 C ATOM 533 CG ARG A 168 -25.053 14.998 12.933 1.00 13.55 C ATOM 534 CD ARG A 168 -26.424 14.391 12.743 1.00 15.89 C ATOM 535 NE ARG A 168 -27.495 15.350 13.077 1.00 20.07 N ATOM 536 CZ ARG A 168 -28.729 14.995 13.265 1.00 21.49 C ATOM 537 NH1 ARG A 168 -29.064 13.760 13.154 1.00 22.26 N ATOM 538 NH2 ARG A 168 -29.556 15.943 13.571 1.00 25.42 N ATOM 539 HE ARG A 168 -27.249 16.357 13.166 1.00 0.00 H ATOM 540 HH12 ARG A 168 -30.052 13.474 13.304 1.00 0.00 H ATOM 541 HH11 ARG A 168 -28.347 13.046 12.914 1.00 0.00 H ATOM 542 HH22 ARG A 168 -30.560 15.725 13.735 1.00 0.00 H ATOM 543 HH21 ARG A 168 -29.217 16.923 13.653 1.00 0.00 H ATOM 544 H ARG A 168 -22.328 15.926 10.976 1.00 0.00 H ATOM 545 N ARG A 169 -21.126 12.777 13.130 1.00 9.00 N ATOM 546 CA ARG A 169 -20.083 11.776 12.939 1.00 8.35 C ATOM 547 C ARG A 169 -20.800 10.475 12.622 1.00 9.43 C ATOM 548 O ARG A 169 -21.685 10.041 13.352 1.00 11.52 O ATOM 549 CB ARG A 169 -19.140 11.649 14.153 1.00 9.91 C ATOM 550 CG ARG A 169 -18.424 12.952 14.549 1.00 9.98 C ATOM 551 CD ARG A 169 -17.322 12.827 15.592 1.00 12.25 C ATOM 552 NE ARG A 169 -17.680 12.106 16.780 1.00 11.83 N ATOM 553 CZ ARG A 169 -16.787 11.819 17.756 1.00 15.49 C ATOM 554 NH1 ARG A 169 -15.535 12.219 17.649 1.00 24.02 N ATOM 555 NH2 ARG A 169 -17.145 11.285 18.830 1.00 18.23 N ATOM 556 HE ARG A 169 -18.665 11.792 16.896 1.00 0.00 H ATOM 557 HH12 ARG A 169 -14.852 11.997 18.401 1.00 0.00 H ATOM 558 HH11 ARG A 169 -15.231 12.757 16.813 1.00 0.00 H ATOM 559 HH22 ARG A 169 -16.441 11.074 19.566 1.00 0.00 H ATOM 560 HH21 ARG A 169 -18.147 11.053 18.987 1.00 0.00 H ATOM 561 H ARG A 169 -21.674 12.733 14.013 1.00 0.00 H ATOM 562 N VAL A 170 -20.442 9.800 11.504 1.00 9.20 N ATOM 563 CA VAL A 170 -21.142 8.596 11.052 1.00 9.35 C ATOM 564 C VAL A 170 -20.150 7.704 10.383 1.00 8.81 C ATOM 565 O VAL A 170 -19.242 8.193 9.726 1.00 11.33 O ATOM 566 CB VAL A 170 -22.338 8.885 10.191 1.00 11.01 C ATOM 567 CG1 VAL A 170 -21.980 9.587 8.959 1.00 14.49 C ATOM 568 CG2 VAL A 170 -23.246 7.613 10.001 1.00 16.68 C ATOM 569 H VAL A 170 -19.638 10.150 10.945 1.00 0.00 H ATOM 570 N ILE A 171 -20.387 6.383 10.456 1.00 8.94 N ATOM 571 CA ILE A 171 -19.652 5.448 9.637 1.00 9.35 C ATOM 572 C ILE A 171 -20.534 4.989 8.503 1.00 8.22 C ATOM 573 O ILE A 171 -21.614 4.448 8.758 1.00 10.60 O ATOM 574 CB ILE A 171 -19.045 4.329 10.493 1.00 10.16 C ATOM 575 CG1 ILE A 171 -18.035 4.921 11.475 1.00 13.37 C ATOM 576 CG2 ILE A 171 -18.374 3.304 9.567 1.00 10.62 C ATOM 577 CD1 ILE A 171 -17.557 3.909 12.461 1.00 11.09 C ATOM 578 H ILE A 171 -21.111 6.029 11.113 1.00 0.00 H ATOM 579 N VAL A 172 -20.051 5.148 7.276 1.00 7.74 N ATOM 580 CA VAL A 172 -20.763 4.704 6.102 1.00 8.19 C ATOM 581 C VAL A 172 -20.065 3.436 5.568 1.00 7.23 C ATOM 582 O VAL A 172 -18.850 3.481 5.332 1.00 7.86 O ATOM 583 CB VAL A 172 -20.826 5.796 5.003 1.00 9.10 C ATOM 584 CG1 VAL A 172 -21.429 5.268 3.708 1.00 12.18 C ATOM 585 CG2 VAL A 172 -21.589 7.016 5.523 1.00 11.24 C ATOM 586 H VAL A 172 -19.126 5.609 7.157 1.00 0.00 H ATOM 587 N CYS A 173 -20.837 2.371 5.323 1.00 7.12 N ATOM 588 CA CYS A 173 -20.340 1.183 4.651 1.00 6.79 C ATOM 589 C CYS A 173 -21.108 0.958 3.368 1.00 6.98 C ATOM 590 O CYS A 173 -22.318 1.152 3.302 1.00 8.42 O ATOM 591 CB CYS A 173 -20.392 -0.033 5.567 1.00 7.53 C ATOM 592 SG CYS A 173 -19.357 0.105 7.069 1.00 8.87 S ATOM 593 H CYS A 173 -21.832 2.395 5.626 1.00 0.00 H ATOM 594 N ASN A 174 -20.396 0.454 2.354 1.00 6.51 N ATOM 595 CA ASN A 174 -20.996 0.209 1.057 1.00 6.87 C ATOM 596 C ASN A 174 -20.128 -0.708 0.180 1.00 6.08 C ATOM 597 O ASN A 174 -19.022 -1.086 0.589 1.00 6.54 O ATOM 598 CB ASN A 174 -21.309 1.551 0.349 1.00 7.54 C ATOM 599 CG ASN A 174 -22.497 1.503 -0.623 1.00 8.54 C ATOM 600 OD1 ASN A 174 -23.041 0.426 -0.961 1.00 8.80 O ATOM 601 ND2 ASN A 174 -22.915 2.695 -1.060 1.00 10.51 N ATOM 602 HD22 ASN A 174 -22.430 3.562 -0.751 1.00 0.00 H ATOM 603 HD21 ASN A 174 -23.725 2.756 -1.709 1.00 0.00 H ATOM 604 H ASN A 174 -19.390 0.233 2.499 1.00 0.00 H ATOM 605 N THR A 175 -20.663 -0.990 -1.001 1.00 6.22 N ATOM 606 CA THR A 175 -20.022 -1.791 -2.041 1.00 6.00 C ATOM 607 C THR A 175 -20.112 -1.001 -3.342 1.00 6.40 C ATOM 608 O THR A 175 -21.169 -0.405 -3.612 1.00 8.05 O ATOM 609 CB THR A 175 -20.720 -3.140 -2.181 1.00 6.67 C ATOM 610 OG1 THR A 175 -20.491 -3.899 -0.942 1.00 7.14 O ATOM 611 CG2 THR A 175 -20.316 -3.999 -3.369 1.00 7.37 C ATOM 612 HG1 THR A 175 -20.865 -3.397 -0.175 1.00 0.00 H ATOM 613 H THR A 175 -21.611 -0.612 -1.202 1.00 0.00 H ATOM 614 N LYS A 176 -19.043 -1.062 -4.161 1.00 6.70 N ATOM 615 CA LYS A 176 -19.035 -0.394 -5.474 1.00 7.17 C ATOM 616 C LYS A 176 -18.879 -1.519 -6.522 1.00 6.57 C ATOM 617 O LYS A 176 -17.875 -2.280 -6.488 1.00 7.15 O ATOM 618 CB LYS A 176 -17.885 0.602 -5.568 1.00 8.50 C ATOM 619 CG LYS A 176 -18.078 1.542 -6.755 1.00 10.03 C ATOM 620 CD LYS A 176 -17.102 2.615 -6.803 1.00 15.64 C ATOM 621 CE LYS A 176 -15.865 2.175 -7.126 1.00 17.16 C ATOM 622 NZ LYS A 176 -14.787 3.373 -7.255 1.00 26.63 N ATOM 623 HZ1 LYS A 176 -15.093 4.035 -7.997 1.00 0.00 H ATOM 624 HZ2 LYS A 176 -14.719 3.876 -6.347 1.00 0.00 H ATOM 625 HZ3 LYS A 176 -13.858 2.977 -7.504 1.00 0.00 H ATOM 626 H LYS A 176 -18.202 -1.594 -3.858 1.00 0.00 H ATOM 627 N LEU A 177 -19.827 -1.606 -7.459 1.00 7.25 N ATOM 628 CA LEU A 177 -19.857 -2.624 -8.502 1.00 7.99 C ATOM 629 C LEU A 177 -19.967 -1.921 -9.853 1.00 8.37 C ATOM 630 O LEU A 177 -20.855 -1.100 -10.064 1.00 9.15 O ATOM 631 CB LEU A 177 -21.055 -3.548 -8.373 1.00 8.10 C ATOM 632 CG LEU A 177 -21.138 -4.357 -7.069 1.00 8.29 C ATOM 633 CD1 LEU A 177 -22.446 -5.079 -6.975 1.00 11.38 C ATOM 634 CD2 LEU A 177 -19.960 -5.241 -6.866 1.00 8.70 C ATOM 635 H LEU A 177 -20.593 -0.902 -7.443 1.00 0.00 H ATOM 636 N ASP A 178 -19.006 -2.185 -10.741 1.00 8.43 N ATOM 637 CA ASP A 178 -19.034 -1.581 -12.100 1.00 9.61 C ATOM 638 C ASP A 178 -19.168 -0.028 -11.977 1.00 11.20 C ATOM 639 O ASP A 178 -19.865 0.635 -12.736 1.00 13.07 O ATOM 640 CB ASP A 178 -20.121 -2.126 -12.983 1.00 11.34 C ATOM 641 CG ASP A 178 -19.897 -3.572 -13.354 1.00 14.24 C ATOM 642 OD1 ASP A 178 -18.757 -4.080 -13.251 1.00 13.88 O ATOM 643 OD2 ASP A 178 -20.873 -4.173 -13.750 1.00 19.83 O ATOM 644 H ASP A 178 -18.227 -2.822 -10.479 1.00 0.00 H ATOM 645 N ASN A 179 -18.394 0.536 -11.020 1.00 11.20 N ATOM 646 CA ASN A 179 -18.327 2.006 -10.770 1.00 14.67 C ATOM 647 C ASN A 179 -19.604 2.545 -10.174 1.00 17.14 C ATOM 648 O ASN A 179 -19.694 3.768 -10.050 1.00 23.53 O ATOM 649 CB ASN A 179 -17.904 2.791 -12.031 1.00 18.21 C ATOM 650 CG ASN A 179 -16.466 3.279 -11.982 1.00 13.84 C ATOM 651 OD1 ASN A 179 -15.600 2.839 -11.194 1.00 16.73 O ATOM 652 ND2 ASN A 179 -16.288 4.353 -12.796 1.00 14.49 N ATOM 653 HD22 ASN A 179 -17.056 4.661 -13.426 1.00 0.00 H ATOM 654 HD21 ASN A 179 -15.384 4.867 -12.789 1.00 0.00 H ATOM 655 H ASN A 179 -17.814 -0.090 -10.426 1.00 0.00 H ATOM 656 N ASN A 180 -20.544 1.765 -9.663 1.00 13.12 N ATOM 657 CA ASN A 180 -21.801 2.252 -9.017 1.00 14.68 C ATOM 658 C ASN A 180 -21.797 1.862 -7.558 1.00 13.14 C ATOM 659 O ASN A 180 -21.701 0.643 -7.211 1.00 11.90 O ATOM 660 CB ASN A 180 -23.029 1.611 -9.672 1.00 18.55 C ATOM 661 CG ASN A 180 -23.213 1.948 -11.111 1.00 24.78 C ATOM 662 OD1 ASN A 180 -22.971 3.108 -11.515 1.00 35.04 O ATOM 663 ND2 ASN A 180 -23.457 0.887 -11.928 1.00 29.56 N ATOM 664 HD22 ASN A 180 -23.651 -0.050 -11.520 1.00 0.00 H ATOM 665 HD21 ASN A 180 -23.450 1.013 -12.960 1.00 0.00 H ATOM 666 H ASN A 180 -20.397 0.737 -9.715 1.00 0.00 H ATOM 667 N TRP A 181 -21.981 2.823 -6.656 1.00 13.08 N ATOM 668 CA TRP A 181 -22.207 2.562 -5.248 1.00 11.03 C ATOM 669 C TRP A 181 -23.586 1.991 -5.049 1.00 12.74 C ATOM 670 O TRP A 181 -24.574 2.449 -5.704 1.00 16.76 O ATOM 671 CB TRP A 181 -21.990 3.864 -4.430 1.00 13.28 C ATOM 672 CG TRP A 181 -20.578 4.251 -4.333 1.00 12.28 C ATOM 673 CD1 TRP A 181 -19.966 5.311 -4.919 1.00 14.80 C ATOM 674 CD2 TRP A 181 -19.546 3.592 -3.580 1.00 11.05 C ATOM 675 NE1 TRP A 181 -18.648 5.399 -4.592 1.00 12.81 N ATOM 676 CE2 TRP A 181 -18.339 4.339 -3.795 1.00 10.94 C ATOM 677 CE3 TRP A 181 -19.512 2.449 -2.756 1.00 9.89 C ATOM 678 CZ2 TRP A 181 -17.129 3.957 -3.155 1.00 11.68 C ATOM 679 CZ3 TRP A 181 -18.320 2.100 -2.180 1.00 9.84 C ATOM 680 CH2 TRP A 181 -17.164 2.827 -2.346 1.00 9.53 C ATOM 681 HE1 TRP A 181 -17.991 6.145 -4.897 1.00 0.00 H ATOM 682 H TRP A 181 -21.962 3.812 -6.978 1.00 0.00 H ATOM 683 N GLY A 182 -23.690 1.066 -4.095 1.00 10.95 N ATOM 684 CA GLY A 182 -24.947 0.510 -3.786 1.00 12.42 C ATOM 685 C GLY A 182 -25.598 1.193 -2.572 1.00 11.90 C ATOM 686 O GLY A 182 -25.429 2.381 -2.355 1.00 12.55 O ATOM 687 H GLY A 182 -22.843 0.755 -3.578 1.00 0.00 H ATOM 688 N ARG A 183 -26.427 0.448 -1.892 1.00 12.35 N ATOM 689 CA ARG A 183 -27.178 0.938 -0.697 1.00 13.63 C ATOM 690 C ARG A 183 -26.231 1.073 0.504 1.00 10.81 C ATOM 691 O ARG A 183 -25.590 0.068 0.888 1.00 11.58 O ATOM 692 CB ARG A 183 -28.240 -0.138 -0.366 1.00 17.80 C ATOM 693 CG ARG A 183 -28.778 -0.245 1.037 1.00 24.84 C ATOM 694 CD ARG A 183 -29.767 -1.413 1.271 1.00 29.54 C ATOM 695 NE ARG A 183 -29.134 -2.757 1.212 1.00 30.20 N ATOM 696 CZ ARG A 183 -28.585 -3.372 2.272 1.00 26.40 C ATOM 697 NH1 ARG A 183 -28.626 -2.842 3.467 1.00 32.49 N ATOM 698 NH2 ARG A 183 -28.020 -4.523 2.136 1.00 30.87 N ATOM 699 HE ARG A 183 -29.115 -3.250 0.296 1.00 0.00 H ATOM 700 HH12 ARG A 183 -28.193 -3.339 4.271 1.00 0.00 H ATOM 701 HH11 ARG A 183 -29.092 -1.924 3.613 1.00 0.00 H ATOM 702 HH22 ARG A 183 -27.596 -4.995 2.960 1.00 0.00 H ATOM 703 HH21 ARG A 183 -27.988 -4.979 1.202 1.00 0.00 H ATOM 704 H ARG A 183 -26.572 -0.536 -2.197 1.00 0.00 H ATOM 705 N GLU A 184 -26.118 2.246 1.103 1.00 11.36 N ATOM 706 CA GLU A 184 -25.317 2.427 2.277 1.00 10.96 C ATOM 707 C GLU A 184 -25.842 1.746 3.475 1.00 11.32 C ATOM 708 O GLU A 184 -27.093 1.737 3.727 1.00 14.34 O ATOM 709 CB GLU A 184 -25.112 3.923 2.600 1.00 11.47 C ATOM 710 CG GLU A 184 -24.334 4.641 1.585 1.00 12.21 C ATOM 711 CD GLU A 184 -24.121 6.142 1.738 1.00 12.21 C ATOM 712 OE1 GLU A 184 -24.765 6.722 2.660 1.00 15.00 O ATOM 713 OE2 GLU A 184 -23.286 6.732 1.004 1.00 12.61 O ATOM 714 H GLU A 184 -26.627 3.063 0.710 1.00 0.00 H ATOM 715 N GLU A 185 -24.958 1.271 4.342 1.00 9.31 N ATOM 716 CA GLU A 185 -25.323 0.823 5.697 1.00 9.49 C ATOM 717 C GLU A 185 -24.610 1.797 6.651 1.00 9.32 C ATOM 718 O GLU A 185 -23.417 1.955 6.577 1.00 10.83 O ATOM 719 CB GLU A 185 -24.862 -0.610 5.949 1.00 9.37 C ATOM 720 CG GLU A 185 -25.510 -1.625 5.064 1.00 11.25 C ATOM 721 CD GLU A 185 -25.150 -3.051 5.184 1.00 10.26 C ATOM 722 OE1 GLU A 185 -24.762 -3.431 6.294 1.00 12.13 O ATOM 723 OE2 GLU A 185 -25.211 -3.791 4.185 1.00 11.52 O ATOM 724 H GLU A 185 -23.961 1.212 4.052 1.00 0.00 H ATOM 725 N ARG A 186 -25.424 2.420 7.512 1.00 9.39 N ATOM 726 CA ARG A 186 -24.877 3.459 8.390 1.00 10.32 C ATOM 727 C ARG A 186 -24.968 3.077 9.883 1.00 13.81 C ATOM 728 O ARG A 186 -25.913 2.469 10.298 1.00 18.13 O ATOM 729 CB ARG A 186 -25.623 4.746 8.162 1.00 11.28 C ATOM 730 CG ARG A 186 -25.202 5.402 6.869 1.00 11.07 C ATOM 731 CD ARG A 186 -26.156 6.468 6.384 1.00 11.46 C ATOM 732 NE ARG A 186 -25.580 7.248 5.319 1.00 10.22 N ATOM 733 CZ ARG A 186 -25.034 8.466 5.435 1.00 11.09 C ATOM 734 NH1 ARG A 186 -25.082 9.109 6.611 1.00 12.17 N ATOM 735 NH2 ARG A 186 -24.411 9.008 4.424 1.00 12.62 N ATOM 736 HE ARG A 186 -25.589 6.825 4.369 1.00 0.00 H ATOM 737 HH12 ARG A 186 -24.659 10.055 6.704 1.00 0.00 H ATOM 738 HH11 ARG A 186 -25.542 8.662 7.430 1.00 0.00 H ATOM 739 HH22 ARG A 186 -23.989 9.954 4.520 1.00 0.00 H ATOM 740 HH21 ARG A 186 -24.337 8.494 3.523 1.00 0.00 H ATOM 741 H ARG A 186 -26.432 2.170 7.558 1.00 0.00 H ATOM 742 N GLN A 187 -23.853 3.424 10.576 1.00 14.44 N ATOM 743 CA GLN A 187 -23.584 3.145 11.993 1.00 15.10 C ATOM 744 C GLN A 187 -23.352 4.521 12.624 1.00 14.20 C ATOM 745 O GLN A 187 -22.278 5.162 12.324 1.00 16.59 O ATOM 746 CB GLN A 187 -22.454 2.102 12.222 1.00 13.37 C ATOM 747 CG GLN A 187 -21.948 1.947 13.559 1.00 12.92 C ATOM 748 CD GLN A 187 -22.950 1.508 14.656 1.00 13.56 C ATOM 749 OE1 GLN A 187 -23.855 2.124 15.040 1.00 19.75 O ATOM 750 NE2 GLN A 187 -22.815 0.206 15.088 1.00 27.33 N ATOM 751 HE22 GLN A 187 -22.014 -0.370 14.760 1.00 0.00 H ATOM 752 HE21 GLN A 187 -23.515 -0.200 15.742 1.00 0.00 H ATOM 753 H GLN A 187 -23.117 3.938 10.052 1.00 0.00 H ATOM 754 N SER A 188 -24.066 4.963 13.614 1.00 12.27 N ATOM 755 CA SER A 188 -23.777 6.190 14.402 1.00 10.40 C ATOM 756 C SER A 188 -22.858 5.894 15.561 1.00 12.98 C ATOM 757 O SER A 188 -22.280 6.878 16.047 1.00 10.89 O ATOM 758 CB SER A 188 -25.058 6.803 14.988 1.00 15.68 C ATOM 759 OG SER A 188 -25.925 5.836 15.794 1.00 22.36 O ATOM 760 HG SER A 188 -26.724 6.314 16.131 1.00 0.00 H ATOM 761 H SER A 188 -24.909 4.414 13.877 1.00 0.00 H ATOM 762 N VAL A 189 -22.675 4.683 16.064 1.00 11.59 N ATOM 763 CA VAL A 189 -21.600 4.476 17.047 1.00 11.21 C ATOM 764 C VAL A 189 -20.310 4.836 16.276 1.00 9.62 C ATOM 765 O VAL A 189 -20.023 4.360 15.192 1.00 11.20 O ATOM 766 CB VAL A 189 -21.541 3.049 17.591 1.00 13.02 C ATOM 767 CG1 VAL A 189 -20.393 2.915 18.520 1.00 14.22 C ATOM 768 CG2 VAL A 189 -22.914 2.723 18.311 1.00 18.83 C ATOM 769 H VAL A 189 -23.281 3.891 15.769 1.00 0.00 H ATOM 770 N PHE A 190 -19.529 5.735 16.942 1.00 11.15 N ATOM 771 CA PHE A 190 -18.398 6.362 16.280 1.00 9.82 C ATOM 772 C PHE A 190 -17.214 6.395 17.199 1.00 10.60 C ATOM 773 O PHE A 190 -17.099 7.327 18.008 1.00 12.63 O ATOM 774 CB PHE A 190 -18.775 7.774 15.766 1.00 9.41 C ATOM 775 CG PHE A 190 -17.772 8.356 14.791 1.00 8.31 C ATOM 776 CD1 PHE A 190 -16.665 9.060 15.230 1.00 8.53 C ATOM 777 CD2 PHE A 190 -17.936 8.198 13.424 1.00 8.69 C ATOM 778 CE1 PHE A 190 -15.756 9.590 14.375 1.00 8.83 C ATOM 779 CE2 PHE A 190 -17.054 8.722 12.538 1.00 8.40 C ATOM 780 CZ PHE A 190 -15.942 9.427 12.997 1.00 8.34 C ATOM 781 H PHE A 190 -19.745 5.973 17.931 1.00 0.00 H ATOM 782 N PRO A 191 -16.353 5.392 17.166 1.00 9.90 N ATOM 783 CA PRO A 191 -15.303 5.247 18.201 1.00 10.54 C ATOM 784 C PRO A 191 -14.072 5.986 17.958 1.00 11.96 C ATOM 785 O PRO A 191 -13.246 6.083 18.864 1.00 18.05 O ATOM 786 CB PRO A 191 -15.056 3.736 18.210 1.00 12.85 C ATOM 787 CG PRO A 191 -15.321 3.350 16.805 1.00 14.60 C ATOM 788 CD PRO A 191 -16.514 4.119 16.391 1.00 11.56 C ATOM 789 N PHE A 192 -13.932 6.672 16.824 1.00 10.41 N ATOM 790 CA PHE A 192 -12.712 7.415 16.481 1.00 9.67 C ATOM 791 C PHE A 192 -12.768 8.823 17.005 1.00 9.37 C ATOM 792 O PHE A 192 -13.855 9.388 17.167 1.00 11.74 O ATOM 793 CB PHE A 192 -12.566 7.495 14.930 1.00 9.08 C ATOM 794 CG PHE A 192 -12.529 6.158 14.272 1.00 8.35 C ATOM 795 CD1 PHE A 192 -11.341 5.454 14.230 1.00 8.16 C ATOM 796 CD2 PHE A 192 -13.645 5.579 13.712 1.00 8.71 C ATOM 797 CE1 PHE A 192 -11.280 4.196 13.664 1.00 8.95 C ATOM 798 CE2 PHE A 192 -13.618 4.309 13.138 1.00 8.60 C ATOM 799 CZ PHE A 192 -12.388 3.641 13.105 1.00 8.62 C ATOM 800 H PHE A 192 -14.724 6.682 16.150 1.00 0.00 H ATOM 801 N GLU A 193 -11.599 9.381 17.311 1.00 10.94 N ATOM 802 CA GLU A 193 -11.466 10.771 17.851 1.00 10.20 C ATOM 803 C GLU A 193 -10.276 11.383 17.202 1.00 9.10 C ATOM 804 O GLU A 193 -9.168 10.813 17.165 1.00 9.01 O ATOM 805 CB GLU A 193 -11.259 10.880 19.376 1.00 13.23 C ATOM 806 CG GLU A 193 -12.463 10.528 20.247 1.00 13.67 C ATOM 807 CD GLU A 193 -13.636 11.521 20.236 1.00 15.77 C ATOM 808 OE1 GLU A 193 -13.474 12.721 19.907 1.00 20.05 O ATOM 809 OE2 GLU A 193 -14.709 11.025 20.572 1.00 19.50 O ATOM 810 H GLU A 193 -10.733 8.823 17.168 1.00 0.00 H ATOM 811 N SER A 194 -10.479 12.610 16.654 1.00 9.76 N ATOM 812 CA SER A 194 -9.399 13.340 16.107 1.00 9.63 C ATOM 813 C SER A 194 -8.225 13.433 17.084 1.00 9.15 C ATOM 814 O SER A 194 -8.429 13.701 18.288 1.00 10.43 O ATOM 815 CB SER A 194 -9.826 14.731 15.725 1.00 13.66 C ATOM 816 OG SER A 194 -10.678 14.741 14.583 1.00 20.40 O ATOM 817 HG SER A 194 -10.932 15.674 14.370 1.00 0.00 H ATOM 818 H SER A 194 -11.437 13.015 16.637 1.00 0.00 H ATOM 819 N GLY A 195 -7.012 13.222 16.591 1.00 8.18 N ATOM 820 CA GLY A 195 -5.821 13.288 17.394 1.00 8.99 C ATOM 821 C GLY A 195 -5.442 12.006 18.123 1.00 7.99 C ATOM 822 O GLY A 195 -4.364 11.979 18.704 1.00 9.36 O ATOM 823 H GLY A 195 -6.918 12.999 15.580 1.00 0.00 H ATOM 824 N LYS A 196 -6.281 10.953 18.111 1.00 7.19 N ATOM 825 CA LYS A 196 -6.069 9.816 19.008 1.00 6.01 C ATOM 826 C LYS A 196 -5.691 8.547 18.245 1.00 5.89 C ATOM 827 O LYS A 196 -6.210 8.288 17.129 1.00 6.54 O ATOM 828 CB LYS A 196 -7.282 9.535 19.903 1.00 6.54 C ATOM 829 CG LYS A 196 -7.753 10.695 20.810 1.00 6.21 C ATOM 830 CD LYS A 196 -8.517 10.058 22.080 1.00 5.58 C ATOM 831 CE LYS A 196 -9.361 11.194 22.717 1.00 4.45 C ATOM 832 NZ LYS A 196 -10.111 10.726 23.870 1.00 5.33 N ATOM 833 HZ1 LYS A 196 -10.755 9.964 23.577 1.00 0.00 H ATOM 834 HZ2 LYS A 196 -9.451 10.366 24.589 1.00 0.00 H ATOM 835 HZ3 LYS A 196 -10.662 11.514 24.267 1.00 0.00 H ATOM 836 H LYS A 196 -7.089 10.947 17.457 1.00 0.00 H ATOM 837 N PRO A 197 -4.852 7.694 18.849 1.00 6.03 N ATOM 838 CA PRO A 197 -4.507 6.390 18.254 1.00 6.44 C ATOM 839 C PRO A 197 -5.676 5.416 18.313 1.00 5.99 C ATOM 840 O PRO A 197 -6.427 5.365 19.284 1.00 7.00 O ATOM 841 CB PRO A 197 -3.358 5.922 19.132 1.00 8.48 C ATOM 842 CG PRO A 197 -3.549 6.596 20.413 1.00 9.26 C ATOM 843 CD PRO A 197 -4.159 7.929 20.132 1.00 6.82 C ATOM 844 N PHE A 198 -5.772 4.600 17.250 1.00 5.74 N ATOM 845 CA PHE A 198 -6.806 3.609 17.111 1.00 5.86 C ATOM 846 C PHE A 198 -6.219 2.289 16.618 1.00 6.63 C ATOM 847 O PHE A 198 -5.163 2.234 16.030 1.00 6.67 O ATOM 848 CB PHE A 198 -7.882 4.086 16.153 1.00 7.39 C ATOM 849 CG PHE A 198 -7.409 4.284 14.712 1.00 7.22 C ATOM 850 CD1 PHE A 198 -7.296 3.216 13.841 1.00 8.25 C ATOM 851 CD2 PHE A 198 -7.023 5.504 14.286 1.00 9.77 C ATOM 852 CE1 PHE A 198 -6.793 3.366 12.598 1.00 8.30 C ATOM 853 CE2 PHE A 198 -6.533 5.682 13.004 1.00 11.74 C ATOM 854 CZ PHE A 198 -6.399 4.607 12.139 1.00 10.11 C ATOM 855 H PHE A 198 -5.066 4.689 16.492 1.00 0.00 H ATOM 856 N LYS A 199 -7.024 1.249 16.811 1.00 6.22 N ATOM 857 CA LYS A 199 -6.823 -0.068 16.222 1.00 6.23 C ATOM 858 C LYS A 199 -8.114 -0.490 15.558 1.00 6.50 C ATOM 859 O LYS A 199 -9.161 -0.511 16.227 1.00 8.02 O ATOM 860 CB LYS A 199 -6.399 -1.091 17.270 1.00 7.47 C ATOM 861 CG LYS A 199 -6.282 -2.495 16.735 1.00 8.42 C ATOM 862 CD LYS A 199 -5.699 -3.470 17.769 1.00 10.31 C ATOM 863 CE LYS A 199 -6.637 -3.770 18.902 1.00 11.59 C ATOM 864 NZ LYS A 199 -6.083 -4.710 19.899 1.00 15.71 N ATOM 865 HZ1 LYS A 199 -5.858 -5.613 19.435 1.00 0.00 H ATOM 866 HZ2 LYS A 199 -5.218 -4.306 20.311 1.00 0.00 H ATOM 867 HZ3 LYS A 199 -6.784 -4.870 20.650 1.00 0.00 H ATOM 868 H LYS A 199 -7.853 1.385 17.424 1.00 0.00 H ATOM 869 N ILE A 200 -8.062 -0.830 14.252 1.00 6.01 N ATOM 870 CA ILE A 200 -9.187 -1.409 13.577 1.00 5.88 C ATOM 871 C ILE A 200 -8.838 -2.859 13.314 1.00 6.23 C ATOM 872 O ILE A 200 -7.795 -3.157 12.733 1.00 7.76 O ATOM 873 CB ILE A 200 -9.551 -0.724 12.269 1.00 6.49 C ATOM 874 CG1 ILE A 200 -9.781 0.760 12.410 1.00 7.29 C ATOM 875 CG2 ILE A 200 -10.708 -1.408 11.581 1.00 8.54 C ATOM 876 CD1 ILE A 200 -9.800 1.551 11.097 1.00 7.88 C ATOM 877 H ILE A 200 -7.182 -0.668 13.722 1.00 0.00 H ATOM 878 N GLN A 201 -9.738 -3.795 13.714 1.00 6.00 N ATOM 879 CA GLN A 201 -9.618 -5.209 13.410 1.00 6.32 C ATOM 880 C GLN A 201 -10.762 -5.597 12.536 1.00 6.40 C ATOM 881 O GLN A 201 -11.929 -5.351 12.895 1.00 8.65 O ATOM 882 CB GLN A 201 -9.544 -6.061 14.677 1.00 8.19 C ATOM 883 CG GLN A 201 -8.265 -5.920 15.452 1.00 10.37 C ATOM 884 CD GLN A 201 -8.419 -6.467 16.916 1.00 13.49 C ATOM 885 OE1 GLN A 201 -9.473 -6.209 17.616 1.00 17.75 O ATOM 886 NE2 GLN A 201 -7.458 -7.297 17.359 1.00 15.97 N ATOM 887 HE22 GLN A 201 -6.621 -7.484 16.771 1.00 0.00 H ATOM 888 HE21 GLN A 201 -7.552 -7.752 18.290 1.00 0.00 H ATOM 889 H GLN A 201 -10.559 -3.480 14.269 1.00 0.00 H ATOM 890 N VAL A 202 -10.485 -6.201 11.367 1.00 5.81 N ATOM 891 CA VAL A 202 -11.523 -6.699 10.501 1.00 5.76 C ATOM 892 C VAL A 202 -11.321 -8.222 10.408 1.00 6.15 C ATOM 893 O VAL A 202 -10.304 -8.696 9.907 1.00 6.85 O ATOM 894 CB VAL A 202 -11.430 -6.068 9.085 1.00 6.32 C ATOM 895 CG1 VAL A 202 -12.575 -6.617 8.211 1.00 7.38 C ATOM 896 CG2 VAL A 202 -11.427 -4.562 9.141 1.00 6.65 C ATOM 897 H VAL A 202 -9.492 -6.312 11.079 1.00 0.00 H ATOM 898 N LEU A 203 -12.282 -8.957 10.970 1.00 6.24 N ATOM 899 CA LEU A 203 -12.244 -10.404 10.936 1.00 6.46 C ATOM 900 C LEU A 203 -13.207 -10.881 9.855 1.00 6.61 C ATOM 901 O LEU A 203 -14.389 -10.529 9.860 1.00 8.81 O ATOM 902 CB LEU A 203 -12.624 -10.964 12.300 1.00 7.45 C ATOM 903 CG LEU A 203 -12.644 -12.516 12.369 1.00 9.77 C ATOM 904 CD1 LEU A 203 -11.284 -13.134 12.037 1.00 9.47 C ATOM 905 CD2 LEU A 203 -13.120 -12.972 13.716 1.00 13.46 C ATOM 906 H LEU A 203 -13.076 -8.480 11.443 1.00 0.00 H ATOM 907 N VAL A 204 -12.676 -11.664 8.899 1.00 6.22 N ATOM 908 CA VAL A 204 -13.544 -12.220 7.892 1.00 6.78 C ATOM 909 C VAL A 204 -14.255 -13.430 8.487 1.00 7.56 C ATOM 910 O VAL A 204 -13.578 -14.383 8.965 1.00 8.99 O ATOM 911 CB VAL A 204 -12.751 -12.589 6.645 1.00 7.77 C ATOM 912 CG1 VAL A 204 -13.676 -13.117 5.548 1.00 9.07 C ATOM 913 CG2 VAL A 204 -11.951 -11.385 6.156 1.00 9.13 C ATOM 914 H VAL A 204 -11.656 -11.865 8.887 1.00 0.00 H ATOM 915 N GLU A 205 -15.566 -13.421 8.443 1.00 7.87 N ATOM 916 CA GLU A 205 -16.428 -14.540 8.892 1.00 8.47 C ATOM 917 C GLU A 205 -17.152 -15.077 7.645 1.00 9.34 C ATOM 918 O GLU A 205 -17.122 -14.483 6.551 1.00 9.72 O ATOM 919 CB GLU A 205 -17.301 -14.114 10.013 1.00 10.23 C ATOM 920 CG GLU A 205 -16.550 -13.755 11.271 1.00 11.94 C ATOM 921 CD GLU A 205 -17.378 -13.556 12.541 1.00 10.19 C ATOM 922 OE1 GLU A 205 -18.516 -13.142 12.522 1.00 13.92 O ATOM 923 OE2 GLU A 205 -16.699 -13.882 13.640 1.00 13.92 O ATOM 924 H GLU A 205 -16.032 -12.571 8.067 1.00 0.00 H ATOM 925 N PRO A 206 -17.806 -16.236 7.789 1.00 9.93 N ATOM 926 CA PRO A 206 -18.419 -16.855 6.609 1.00 11.42 C ATOM 927 C PRO A 206 -19.419 -15.950 5.902 1.00 10.57 C ATOM 928 O PRO A 206 -19.511 -15.985 4.667 1.00 13.12 O ATOM 929 CB PRO A 206 -19.020 -18.157 7.164 1.00 12.32 C ATOM 930 CG PRO A 206 -18.041 -18.498 8.263 1.00 12.73 C ATOM 931 CD PRO A 206 -17.774 -17.180 8.941 1.00 12.11 C ATOM 932 N ASP A 207 -20.070 -15.082 6.611 1.00 8.64 N ATOM 933 CA ASP A 207 -21.030 -14.390 5.883 1.00 7.42 C ATOM 934 C ASP A 207 -20.909 -12.869 5.978 1.00 8.21 C ATOM 935 O ASP A 207 -21.703 -12.189 5.354 1.00 7.54 O ATOM 936 CB ASP A 207 -22.316 -14.974 6.411 1.00 7.04 C ATOM 937 CG ASP A 207 -22.525 -16.465 5.973 1.00 8.37 C ATOM 938 OD1 ASP A 207 -22.159 -16.797 4.786 1.00 7.64 O ATOM 939 OD2 ASP A 207 -23.023 -17.212 6.824 1.00 14.34 O ATOM 940 H ASP A 207 -19.892 -14.920 7.623 1.00 0.00 H ATOM 941 N HIS A 208 -19.959 -12.364 6.756 1.00 7.28 N ATOM 942 CA HIS A 208 -19.792 -10.925 6.873 1.00 7.84 C ATOM 943 C HIS A 208 -18.379 -10.657 7.250 1.00 6.53 C ATOM 944 O HIS A 208 -17.662 -11.533 7.754 1.00 7.83 O ATOM 945 CB HIS A 208 -20.818 -10.379 7.971 1.00 8.51 C ATOM 946 CG HIS A 208 -20.802 -11.136 9.262 1.00 10.03 C ATOM 947 ND1 HIS A 208 -21.824 -11.952 9.630 1.00 15.43 N ATOM 948 CD2 HIS A 208 -19.863 -11.233 10.240 1.00 12.04 C ATOM 949 CE1 HIS A 208 -21.514 -12.547 10.753 1.00 18.76 C ATOM 950 NE2 HIS A 208 -20.341 -12.070 11.167 1.00 16.36 N ATOM 951 H HIS A 208 -19.331 -13.002 7.285 1.00 0.00 H ATOM 952 N PHE A 209 -17.985 -9.383 7.028 1.00 6.74 N ATOM 953 CA PHE A 209 -16.822 -8.797 7.683 1.00 6.43 C ATOM 954 C PHE A 209 -17.289 -8.333 9.080 1.00 6.73 C ATOM 955 O PHE A 209 -18.300 -7.643 9.185 1.00 8.67 O ATOM 956 CB PHE A 209 -16.316 -7.576 6.901 1.00 6.95 C ATOM 957 CG PHE A 209 -15.767 -7.910 5.538 1.00 6.52 C ATOM 958 CD1 PHE A 209 -14.478 -8.289 5.390 1.00 8.04 C ATOM 959 CD2 PHE A 209 -16.559 -7.796 4.416 1.00 8.56 C ATOM 960 CE1 PHE A 209 -13.959 -8.562 4.094 1.00 10.51 C ATOM 961 CE2 PHE A 209 -16.059 -8.079 3.172 1.00 9.80 C ATOM 962 CZ PHE A 209 -14.758 -8.464 2.996 1.00 10.38 C ATOM 963 H PHE A 209 -18.533 -8.799 6.365 1.00 0.00 H ATOM 964 N LYS A 210 -16.515 -8.641 10.119 1.00 6.57 N ATOM 965 CA LYS A 210 -16.783 -8.242 11.484 1.00 7.01 C ATOM 966 C LYS A 210 -15.714 -7.263 11.923 1.00 7.18 C ATOM 967 O LYS A 210 -14.517 -7.599 11.954 1.00 9.20 O ATOM 968 CB LYS A 210 -16.812 -9.469 12.409 1.00 8.58 C ATOM 969 CG LYS A 210 -17.343 -9.134 13.822 1.00 9.81 C ATOM 970 CD LYS A 210 -17.364 -10.396 14.663 1.00 11.94 C ATOM 971 CE LYS A 210 -15.997 -10.844 15.158 1.00 12.44 C ATOM 972 NZ LYS A 210 -16.069 -12.273 15.812 1.00 13.14 N ATOM 973 HZ1 LYS A 210 -16.724 -12.251 16.620 1.00 0.00 H ATOM 974 HZ2 LYS A 210 -16.408 -12.959 15.108 1.00 0.00 H ATOM 975 HZ3 LYS A 210 -15.122 -12.551 16.140 1.00 0.00 H ATOM 976 H LYS A 210 -15.661 -9.206 9.937 1.00 0.00 H ATOM 977 N VAL A 211 -16.137 -6.026 12.305 1.00 6.42 N ATOM 978 CA VAL A 211 -15.202 -4.958 12.613 1.00 5.97 C ATOM 979 C VAL A 211 -15.256 -4.612 14.096 1.00 6.40 C ATOM 980 O VAL A 211 -16.356 -4.351 14.625 1.00 6.87 O ATOM 981 CB VAL A 211 -15.507 -3.717 11.778 1.00 6.66 C ATOM 982 CG1 VAL A 211 -14.509 -2.599 12.077 1.00 7.86 C ATOM 983 CG2 VAL A 211 -15.531 -4.006 10.292 1.00 7.80 C ATOM 984 H VAL A 211 -17.158 -5.841 12.378 1.00 0.00 H ATOM 985 N ALA A 212 -14.075 -4.577 14.720 1.00 5.95 N ATOM 986 CA ALA A 212 -13.922 -4.072 16.081 1.00 6.26 C ATOM 987 C ALA A 212 -12.909 -2.931 16.047 1.00 6.57 C ATOM 988 O ALA A 212 -11.923 -2.961 15.327 1.00 7.42 O ATOM 989 CB ALA A 212 -13.411 -5.184 17.032 1.00 8.51 C ATOM 990 H ALA A 212 -13.233 -4.923 14.217 1.00 0.00 H ATOM 991 N VAL A 213 -13.202 -1.890 16.861 1.00 6.39 N ATOM 992 CA VAL A 213 -12.283 -0.752 17.009 1.00 6.17 C ATOM 993 C VAL A 213 -11.903 -0.675 18.457 1.00 6.63 C ATOM 994 O VAL A 213 -12.734 -0.730 19.382 1.00 7.60 O ATOM 995 CB VAL A 213 -12.904 0.548 16.502 1.00 6.95 C ATOM 996 CG1 VAL A 213 -11.968 1.706 16.742 1.00 8.24 C ATOM 997 CG2 VAL A 213 -13.233 0.414 15.019 1.00 7.92 C ATOM 998 H VAL A 213 -14.096 -1.895 17.393 1.00 0.00 H ATOM 999 N ASN A 214 -10.592 -0.592 18.706 1.00 6.98 N ATOM 1000 CA ASN A 214 -10.101 -0.487 20.093 1.00 7.53 C ATOM 1001 C ASN A 214 -10.658 -1.612 20.939 1.00 7.98 C ATOM 1002 O ASN A 214 -11.022 -1.390 22.108 1.00 9.76 O ATOM 1003 CB ASN A 214 -10.331 0.904 20.681 1.00 8.09 C ATOM 1004 CG ASN A 214 -9.717 1.998 19.852 1.00 6.86 C ATOM 1005 OD1 ASN A 214 -8.793 1.766 19.075 1.00 7.44 O ATOM 1006 ND2 ASN A 214 -10.198 3.243 20.045 1.00 8.42 N ATOM 1007 HD22 ASN A 214 -10.981 3.400 20.711 1.00 0.00 H ATOM 1008 HD21 ASN A 214 -9.786 4.046 19.528 1.00 0.00 H ATOM 1009 H ASN A 214 -9.914 -0.602 17.917 1.00 0.00 H ATOM 1010 N ASP A 215 -10.660 -2.813 20.389 1.00 8.47 N ATOM 1011 CA ASP A 215 -11.093 -4.059 21.062 1.00 9.09 C ATOM 1012 C ASP A 215 -12.602 -4.112 21.351 1.00 9.52 C ATOM 1013 O ASP A 215 -13.023 -5.102 21.969 1.00 12.41 O ATOM 1014 CB ASP A 215 -10.287 -4.325 22.316 1.00 10.33 C ATOM 1015 CG ASP A 215 -8.911 -4.588 21.996 1.00 12.66 C ATOM 1016 OD1 ASP A 215 -8.573 -5.429 21.108 1.00 15.99 O ATOM 1017 OD2 ASP A 215 -8.062 -3.901 22.611 1.00 19.67 O ATOM 1018 H ASP A 215 -10.331 -2.890 19.405 1.00 0.00 H ATOM 1019 N ALA A 216 -13.424 -3.201 20.846 1.00 8.52 N ATOM 1020 CA ALA A 216 -14.866 -3.255 21.048 1.00 8.99 C ATOM 1021 C ALA A 216 -15.531 -3.474 19.714 1.00 7.74 C ATOM 1022 O ALA A 216 -15.301 -2.765 18.735 1.00 8.64 O ATOM 1023 CB ALA A 216 -15.375 -1.921 21.661 1.00 11.87 C ATOM 1024 H ALA A 216 -13.025 -2.421 20.286 1.00 0.00 H ATOM 1025 N HIS A 217 -16.422 -4.482 19.664 1.00 8.26 N ATOM 1026 CA HIS A 217 -17.170 -4.742 18.451 1.00 8.71 C ATOM 1027 C HIS A 217 -17.920 -3.508 17.998 1.00 8.36 C ATOM 1028 O HIS A 217 -18.542 -2.813 18.837 1.00 10.41 O ATOM 1029 CB HIS A 217 -18.259 -5.830 18.747 1.00 9.08 C ATOM 1030 CG HIS A 217 -19.112 -6.109 17.552 1.00 9.78 C ATOM 1031 ND1 HIS A 217 -18.594 -6.606 16.348 1.00 10.82 N ATOM 1032 CD2 HIS A 217 -20.383 -5.735 17.295 1.00 11.69 C ATOM 1033 CE1 HIS A 217 -19.568 -6.612 15.466 1.00 12.74 C ATOM 1034 NE2 HIS A 217 -20.698 -6.096 16.001 1.00 12.78 N ATOM 1035 H HIS A 217 -16.574 -5.078 20.502 1.00 0.00 H ATOM 1036 N LEU A 218 -17.855 -3.194 16.706 1.00 7.54 N ATOM 1037 CA LEU A 218 -18.473 -2.048 16.116 1.00 7.58 C ATOM 1038 C LEU A 218 -19.589 -2.420 15.181 1.00 7.94 C ATOM 1039 O LEU A 218 -20.739 -1.918 15.342 1.00 9.95 O ATOM 1040 CB LEU A 218 -17.439 -1.199 15.382 1.00 8.27 C ATOM 1041 CG LEU A 218 -17.989 0.027 14.681 1.00 9.59 C ATOM 1042 CD1 LEU A 218 -18.665 1.028 15.683 1.00 10.55 C ATOM 1043 CD2 LEU A 218 -16.924 0.703 13.876 1.00 11.24 C ATOM 1044 H LEU A 218 -17.316 -3.828 16.081 1.00 0.00 H ATOM 1045 N LEU A 219 -19.337 -3.254 14.155 1.00 7.85 N ATOM 1046 CA LEU A 219 -20.382 -3.510 13.164 1.00 7.58 C ATOM 1047 C LEU A 219 -20.002 -4.800 12.407 1.00 7.54 C ATOM 1048 O LEU A 219 -18.870 -5.259 12.441 1.00 7.86 O ATOM 1049 CB LEU A 219 -20.617 -2.359 12.187 1.00 8.26 C ATOM 1050 CG LEU A 219 -19.398 -1.884 11.314 1.00 8.50 C ATOM 1051 CD1 LEU A 219 -19.220 -2.753 10.081 1.00 9.72 C ATOM 1052 CD2 LEU A 219 -19.635 -0.425 10.916 1.00 9.35 C ATOM 1053 H LEU A 219 -18.408 -3.712 14.068 1.00 0.00 H ATOM 1054 N GLN A 220 -21.005 -5.336 11.701 1.00 7.94 N ATOM 1055 CA GLN A 220 -20.726 -6.334 10.694 1.00 8.25 C ATOM 1056 C GLN A 220 -21.339 -5.934 9.372 1.00 7.65 C ATOM 1057 O GLN A 220 -22.312 -5.146 9.334 1.00 10.02 O ATOM 1058 CB GLN A 220 -21.267 -7.694 11.146 1.00 10.18 C ATOM 1059 CG GLN A 220 -22.787 -7.618 11.405 1.00 15.23 C ATOM 1060 CD GLN A 220 -23.452 -8.990 11.706 1.00 18.18 C ATOM 1061 OE1 GLN A 220 -22.934 -9.751 12.465 1.00 24.43 O ATOM 1062 NE2 GLN A 220 -24.576 -9.262 10.986 1.00 31.52 N ATOM 1063 HE22 GLN A 220 -24.968 -8.545 10.343 1.00 0.00 H ATOM 1064 HE21 GLN A 220 -25.042 -10.187 11.079 1.00 0.00 H ATOM 1065 H GLN A 220 -21.985 -5.034 11.877 1.00 0.00 H ATOM 1066 N TYR A 221 -20.739 -6.444 8.291 1.00 6.82 N ATOM 1067 CA TYR A 221 -21.143 -6.072 6.950 1.00 7.30 C ATOM 1068 C TYR A 221 -21.259 -7.397 6.120 1.00 6.94 C ATOM 1069 O TYR A 221 -20.276 -8.056 5.898 1.00 7.75 O ATOM 1070 CB TYR A 221 -20.117 -5.144 6.299 1.00 7.72 C ATOM 1071 CG TYR A 221 -20.562 -4.610 4.931 1.00 7.08 C ATOM 1072 CD1 TYR A 221 -21.356 -3.455 4.877 1.00 7.62 C ATOM 1073 CD2 TYR A 221 -20.156 -5.196 3.754 1.00 7.85 C ATOM 1074 CE1 TYR A 221 -21.740 -2.936 3.669 1.00 7.26 C ATOM 1075 CE2 TYR A 221 -20.533 -4.668 2.529 1.00 7.10 C ATOM 1076 CZ TYR A 221 -21.300 -3.515 2.470 1.00 7.28 C ATOM 1077 OH TYR A 221 -21.670 -2.919 1.310 1.00 7.62 O ATOM 1078 HH TYR A 221 -20.861 -2.656 0.803 1.00 0.00 H ATOM 1079 H TYR A 221 -19.963 -7.125 8.416 1.00 0.00 H ATOM 1080 N ASN A 222 -22.496 -7.735 5.746 1.00 7.53 N ATOM 1081 CA ASN A 222 -22.758 -8.972 5.025 1.00 8.61 C ATOM 1082 C ASN A 222 -22.064 -8.944 3.673 1.00 7.56 C ATOM 1083 O ASN A 222 -22.008 -7.951 2.969 1.00 8.38 O ATOM 1084 CB ASN A 222 -24.293 -9.158 4.910 1.00 9.95 C ATOM 1085 CG ASN A 222 -24.990 -9.497 6.254 1.00 20.92 C ATOM 1086 OD1 ASN A 222 -24.366 -9.900 7.231 1.00 21.23 O ATOM 1087 ND2 ASN A 222 -26.297 -9.186 6.322 1.00 23.84 N ATOM 1088 HD22 ASN A 222 -26.796 -8.847 5.475 1.00 0.00 H ATOM 1089 HD21 ASN A 222 -26.809 -9.284 7.222 1.00 0.00 H ATOM 1090 H ASN A 222 -23.288 -7.101 5.975 1.00 0.00 H ATOM 1091 N HIS A 223 -21.548 -10.115 3.283 1.00 7.53 N ATOM 1092 CA HIS A 223 -20.846 -10.225 1.980 1.00 7.53 C ATOM 1093 C HIS A 223 -21.812 -10.026 0.805 1.00 7.24 C ATOM 1094 O HIS A 223 -22.694 -10.869 0.583 1.00 10.47 O ATOM 1095 CB HIS A 223 -20.105 -11.572 1.846 1.00 7.06 C ATOM 1096 CG HIS A 223 -19.019 -11.793 2.818 1.00 6.63 C ATOM 1097 ND1 HIS A 223 -17.983 -10.901 2.975 1.00 6.59 N ATOM 1098 CD2 HIS A 223 -18.809 -12.831 3.685 1.00 7.72 C ATOM 1099 CE1 HIS A 223 -17.193 -11.362 3.931 1.00 7.15 C ATOM 1100 NE2 HIS A 223 -17.661 -12.568 4.376 1.00 7.98 N ATOM 1101 H HIS A 223 -21.639 -10.951 3.895 1.00 0.00 H ATOM 1102 N ARG A 224 -21.591 -8.983 0.078 1.00 6.73 N ATOM 1103 CA ARG A 224 -22.267 -8.737 -1.182 1.00 6.85 C ATOM 1104 C ARG A 224 -21.489 -9.317 -2.344 1.00 6.73 C ATOM 1105 O ARG A 224 -22.051 -9.909 -3.270 1.00 8.03 O ATOM 1106 CB ARG A 224 -22.523 -7.259 -1.402 1.00 7.20 C ATOM 1107 CG ARG A 224 -23.339 -6.556 -0.320 1.00 8.29 C ATOM 1108 CD ARG A 224 -23.700 -5.167 -0.656 1.00 8.75 C ATOM 1109 NE ARG A 224 -24.302 -4.475 0.513 1.00 8.54 N ATOM 1110 CZ ARG A 224 -24.526 -3.163 0.516 1.00 9.29 C ATOM 1111 NH1 ARG A 224 -24.391 -2.443 -0.582 1.00 9.83 N ATOM 1112 NH2 ARG A 224 -24.915 -2.558 1.634 1.00 10.23 N ATOM 1113 HE ARG A 224 -24.556 -5.032 1.354 1.00 0.00 H ATOM 1114 HH12 ARG A 224 -24.571 -1.419 -0.558 1.00 0.00 H ATOM 1115 HH11 ARG A 224 -24.105 -2.900 -1.471 1.00 0.00 H ATOM 1116 HH22 ARG A 224 -25.090 -1.533 1.637 1.00 0.00 H ATOM 1117 HH21 ARG A 224 -25.044 -3.110 2.506 1.00 0.00 H ATOM 1118 H ARG A 224 -20.895 -8.286 0.411 1.00 0.00 H ATOM 1119 N VAL A 225 -20.177 -9.097 -2.326 1.00 6.64 N ATOM 1120 CA VAL A 225 -19.200 -9.738 -3.238 1.00 6.62 C ATOM 1121 C VAL A 225 -18.909 -11.105 -2.653 1.00 7.11 C ATOM 1122 O VAL A 225 -18.425 -11.221 -1.559 1.00 10.03 O ATOM 1123 CB VAL A 225 -17.986 -8.861 -3.433 1.00 7.28 C ATOM 1124 CG1 VAL A 225 -16.908 -9.569 -4.246 1.00 8.74 C ATOM 1125 CG2 VAL A 225 -18.346 -7.522 -4.056 1.00 7.93 C ATOM 1126 H VAL A 225 -19.810 -8.426 -1.621 1.00 0.00 H ATOM 1127 N LYS A 226 -19.203 -12.153 -3.440 1.00 7.28 N ATOM 1128 CA LYS A 226 -19.096 -13.453 -2.769 1.00 6.81 C ATOM 1129 C LYS A 226 -17.930 -14.252 -3.254 1.00 6.26 C ATOM 1130 O LYS A 226 -17.641 -15.283 -2.624 1.00 7.20 O ATOM 1131 CB LYS A 226 -20.391 -14.158 -2.974 1.00 5.74 C ATOM 1132 CG LYS A 226 -21.586 -13.347 -2.482 1.00 6.06 C ATOM 1133 CD LYS A 226 -22.920 -14.078 -2.735 1.00 7.07 C ATOM 1134 CE LYS A 226 -24.087 -13.188 -2.307 1.00 7.61 C ATOM 1135 NZ LYS A 226 -24.209 -12.926 -0.865 1.00 8.02 N ATOM 1136 HZ1 LYS A 226 -24.334 -13.826 -0.360 1.00 0.00 H ATOM 1137 HZ2 LYS A 226 -23.347 -12.453 -0.526 1.00 0.00 H ATOM 1138 HZ3 LYS A 226 -25.032 -12.314 -0.694 1.00 0.00 H ATOM 1139 H LYS A 226 -19.482 -12.052 -4.437 1.00 0.00 H ATOM 1140 N LYS A 227 -17.141 -13.757 -4.219 1.00 6.47 N ATOM 1141 CA LYS A 227 -15.865 -14.364 -4.606 1.00 5.80 C ATOM 1142 C LYS A 227 -14.811 -13.827 -3.663 1.00 6.21 C ATOM 1143 O LYS A 227 -13.991 -12.943 -4.028 1.00 6.78 O ATOM 1144 CB LYS A 227 -15.555 -14.093 -6.054 1.00 7.85 C ATOM 1145 CG LYS A 227 -16.541 -14.769 -7.002 1.00 7.54 C ATOM 1146 CD LYS A 227 -16.326 -14.364 -8.447 1.00 10.73 C ATOM 1147 CE LYS A 227 -17.235 -15.098 -9.417 1.00 14.28 C ATOM 1148 NZ LYS A 227 -17.195 -14.506 -10.770 1.00 13.16 N ATOM 1149 HZ1 LYS A 227 -17.504 -13.514 -10.722 1.00 0.00 H ATOM 1150 HZ2 LYS A 227 -16.223 -14.551 -11.138 1.00 0.00 H ATOM 1151 HZ3 LYS A 227 -17.830 -15.038 -11.399 1.00 0.00 H ATOM 1152 H LYS A 227 -17.451 -12.899 -4.718 1.00 0.00 H ATOM 1153 N LEU A 228 -14.792 -14.350 -2.445 1.00 7.03 N ATOM 1154 CA LEU A 228 -13.890 -13.850 -1.415 1.00 6.61 C ATOM 1155 C LEU A 228 -12.429 -13.956 -1.844 1.00 6.39 C ATOM 1156 O LEU A 228 -11.618 -13.057 -1.531 1.00 6.74 O ATOM 1157 CB LEU A 228 -14.095 -14.610 -0.144 1.00 12.35 C ATOM 1158 CG LEU A 228 -15.489 -14.460 0.607 1.00 8.42 C ATOM 1159 CD1 LEU A 228 -15.518 -15.207 1.892 1.00 9.33 C ATOM 1160 CD2 LEU A 228 -15.935 -13.046 0.728 1.00 9.70 C ATOM 1161 H LEU A 228 -15.436 -15.135 -2.219 1.00 0.00 H ATOM 1162 N ASN A 229 -12.053 -15.018 -2.544 1.00 6.50 N ATOM 1163 CA ASN A 229 -10.668 -15.232 -2.916 1.00 7.36 C ATOM 1164 C ASN A 229 -10.254 -14.331 -4.108 1.00 7.19 C ATOM 1165 O ASN A 229 -9.156 -14.531 -4.620 1.00 8.19 O ATOM 1166 CB ASN A 229 -10.381 -16.712 -3.223 1.00 8.09 C ATOM 1167 CG ASN A 229 -11.077 -17.210 -4.477 1.00 8.12 C ATOM 1168 OD1 ASN A 229 -11.799 -16.484 -5.184 1.00 11.40 O ATOM 1169 ND2 ASN A 229 -10.966 -18.554 -4.722 1.00 12.46 N ATOM 1170 HD22 ASN A 229 -10.357 -19.144 -4.119 1.00 0.00 H ATOM 1171 HD21 ASN A 229 -11.491 -18.984 -5.510 1.00 0.00 H ATOM 1172 H ASN A 229 -12.769 -15.714 -2.833 1.00 0.00 H ATOM 1173 N GLU A 230 -11.130 -13.412 -4.537 1.00 6.22 N ATOM 1174 CA GLU A 230 -10.744 -12.378 -5.518 1.00 6.34 C ATOM 1175 C GLU A 230 -10.654 -10.972 -4.895 1.00 5.91 C ATOM 1176 O GLU A 230 -10.304 -10.020 -5.604 1.00 6.72 O ATOM 1177 CB GLU A 230 -11.717 -12.386 -6.666 1.00 7.03 C ATOM 1178 CG GLU A 230 -11.668 -13.704 -7.459 1.00 8.49 C ATOM 1179 CD GLU A 230 -12.471 -13.725 -8.704 1.00 8.69 C ATOM 1180 OE1 GLU A 230 -13.096 -12.751 -9.082 1.00 9.61 O ATOM 1181 OE2 GLU A 230 -12.522 -14.826 -9.359 1.00 12.66 O ATOM 1182 H GLU A 230 -12.103 -13.427 -4.171 1.00 0.00 H ATOM 1183 N ILE A 231 -10.940 -10.868 -3.605 1.00 6.08 N ATOM 1184 CA ILE A 231 -10.830 -9.600 -2.871 1.00 5.52 C ATOM 1185 C ILE A 231 -9.406 -9.462 -2.384 1.00 6.11 C ATOM 1186 O ILE A 231 -9.072 -9.823 -1.249 1.00 7.49 O ATOM 1187 CB ILE A 231 -11.858 -9.523 -1.759 1.00 6.24 C ATOM 1188 CG1 ILE A 231 -13.284 -9.785 -2.225 1.00 6.29 C ATOM 1189 CG2 ILE A 231 -11.752 -8.162 -1.003 1.00 6.99 C ATOM 1190 CD1 ILE A 231 -14.311 -9.930 -1.110 1.00 7.21 C ATOM 1191 H ILE A 231 -11.254 -11.717 -3.093 1.00 0.00 H ATOM 1192 N SER A 232 -8.524 -9.011 -3.300 1.00 5.84 N ATOM 1193 CA SER A 232 -7.104 -9.266 -3.076 1.00 6.32 C ATOM 1194 C SER A 232 -6.265 -8.022 -2.829 1.00 6.09 C ATOM 1195 O SER A 232 -5.046 -8.082 -2.831 1.00 6.77 O ATOM 1196 CB SER A 232 -6.477 -10.075 -4.166 1.00 8.89 C ATOM 1197 OG SER A 232 -6.599 -9.420 -5.410 1.00 14.30 O ATOM 1198 HG SER A 232 -7.558 -9.289 -5.620 1.00 0.00 H ATOM 1199 H SER A 232 -8.847 -8.495 -4.143 1.00 0.00 H ATOM 1200 N LYS A 233 -6.942 -6.904 -2.479 1.00 5.91 N ATOM 1201 CA LYS A 233 -6.240 -5.663 -2.110 1.00 7.08 C ATOM 1202 C LYS A 233 -7.044 -5.000 -0.996 1.00 6.80 C ATOM 1203 O LYS A 233 -8.270 -4.979 -1.084 1.00 7.44 O ATOM 1204 CB LYS A 233 -6.213 -4.702 -3.382 1.00 9.33 C ATOM 1205 CG LYS A 233 -5.134 -5.071 -4.391 1.00 10.56 C ATOM 1206 CD LYS A 233 -4.859 -3.941 -5.356 1.00 16.35 C ATOM 1207 CE LYS A 233 -6.190 -3.314 -5.950 1.00 22.12 C ATOM 1208 NZ LYS A 233 -6.377 -2.123 -6.873 1.00 13.13 N ATOM 1209 HZ1 LYS A 233 -5.993 -1.270 -6.418 1.00 0.00 H ATOM 1210 HZ2 LYS A 233 -5.875 -2.297 -7.767 1.00 0.00 H ATOM 1211 HZ3 LYS A 233 -7.391 -1.989 -7.064 1.00 0.00 H ATOM 1212 H LYS A 233 -7.982 -6.921 -2.470 1.00 0.00 H ATOM 1213 N LEU A 234 -6.332 -4.355 -0.079 1.00 6.57 N ATOM 1214 CA LEU A 234 -6.937 -3.408 0.876 1.00 6.46 C ATOM 1215 C LEU A 234 -6.299 -2.057 0.688 1.00 6.48 C ATOM 1216 O LEU A 234 -5.097 -1.931 0.930 1.00 8.09 O ATOM 1217 CB LEU A 234 -6.758 -3.888 2.304 1.00 6.94 C ATOM 1218 CG LEU A 234 -7.190 -2.855 3.400 1.00 8.17 C ATOM 1219 CD1 LEU A 234 -8.631 -2.479 3.285 1.00 8.94 C ATOM 1220 CD2 LEU A 234 -6.836 -3.382 4.782 1.00 11.06 C ATOM 1221 H LEU A 234 -5.307 -4.525 -0.033 1.00 0.00 H ATOM 1222 N GLY A 235 -7.083 -1.052 0.337 1.00 6.30 N ATOM 1223 CA GLY A 235 -6.620 0.341 0.324 1.00 6.71 C ATOM 1224 C GLY A 235 -6.982 1.003 1.639 1.00 6.84 C ATOM 1225 O GLY A 235 -8.099 0.914 2.112 1.00 8.18 O ATOM 1226 H GLY A 235 -8.064 -1.256 0.060 1.00 0.00 H ATOM 1227 N ILE A 236 -6.043 1.776 2.159 1.00 7.25 N ATOM 1228 CA ILE A 236 -6.212 2.510 3.414 1.00 7.47 C ATOM 1229 C ILE A 236 -5.917 3.987 3.090 1.00 8.29 C ATOM 1230 O ILE A 236 -4.812 4.326 2.622 1.00 9.96 O ATOM 1231 CB ILE A 236 -5.283 2.035 4.508 1.00 8.29 C ATOM 1232 CG1 ILE A 236 -5.379 0.530 4.626 1.00 8.78 C ATOM 1233 CG2 ILE A 236 -5.630 2.764 5.830 1.00 8.86 C ATOM 1234 CD1 ILE A 236 -4.363 0.035 5.621 1.00 8.83 C ATOM 1235 H ILE A 236 -5.140 1.867 1.651 1.00 0.00 H ATOM 1236 N SER A 237 -6.922 4.880 3.283 1.00 8.28 N ATOM 1237 CA SER A 237 -6.800 6.231 2.940 1.00 9.15 C ATOM 1238 C SER A 237 -7.414 7.163 3.965 1.00 8.61 C ATOM 1239 O SER A 237 -8.165 6.723 4.856 1.00 9.19 O ATOM 1240 CB SER A 237 -7.402 6.495 1.546 1.00 11.78 C ATOM 1241 OG SER A 237 -8.731 6.159 1.499 1.00 12.03 O ATOM 1242 HG SER A 237 -9.084 6.341 0.592 1.00 0.00 H ATOM 1243 H SER A 237 -7.814 4.548 3.701 1.00 0.00 H ATOM 1244 N GLY A 238 -7.204 8.469 3.786 1.00 9.68 N ATOM 1245 CA GLY A 238 -7.791 9.467 4.600 1.00 9.29 C ATOM 1246 C GLY A 238 -6.889 10.088 5.619 1.00 8.08 C ATOM 1247 O GLY A 238 -5.658 10.081 5.497 1.00 8.79 O ATOM 1248 H GLY A 238 -6.579 8.768 3.011 1.00 0.00 H ATOM 1249 N ASP A 239 -7.528 10.692 6.637 1.00 8.10 N ATOM 1250 CA ASP A 239 -6.875 11.670 7.492 1.00 8.88 C ATOM 1251 C ASP A 239 -6.255 11.030 8.711 1.00 8.52 C ATOM 1252 O ASP A 239 -6.657 11.281 9.863 1.00 9.47 O ATOM 1253 CB ASP A 239 -7.887 12.749 7.819 1.00 9.73 C ATOM 1254 CG ASP A 239 -8.391 13.475 6.593 1.00 9.96 C ATOM 1255 OD1 ASP A 239 -7.635 13.646 5.625 1.00 13.99 O ATOM 1256 OD2 ASP A 239 -9.543 13.921 6.637 1.00 10.80 O ATOM 1257 H ASP A 239 -8.523 10.451 6.819 1.00 0.00 H ATOM 1258 N ILE A 240 -5.262 10.144 8.466 1.00 8.90 N ATOM 1259 CA ILE A 240 -4.574 9.362 9.489 1.00 8.26 C ATOM 1260 C ILE A 240 -3.065 9.429 9.303 1.00 8.46 C ATOM 1261 O ILE A 240 -2.628 9.595 8.129 1.00 9.93 O ATOM 1262 CB ILE A 240 -5.040 7.952 9.532 1.00 8.39 C ATOM 1263 CG1 ILE A 240 -4.700 7.149 8.302 1.00 9.85 C ATOM 1264 CG2 ILE A 240 -6.527 7.865 9.832 1.00 9.13 C ATOM 1265 CD1 ILE A 240 -4.977 5.669 8.379 1.00 11.12 C ATOM 1266 H ILE A 240 -4.968 10.010 7.478 1.00 0.00 H ATOM 1267 N ASP A 241 -2.370 9.209 10.367 1.00 8.09 N ATOM 1268 CA ASP A 241 -1.004 8.721 10.338 1.00 9.60 C ATOM 1269 C ASP A 241 -1.068 7.204 10.483 1.00 8.78 C ATOM 1270 O ASP A 241 -1.674 6.704 11.454 1.00 11.54 O ATOM 1271 CB ASP A 241 -0.176 9.345 11.492 1.00 12.43 C ATOM 1272 CG ASP A 241 0.036 10.823 11.353 1.00 16.84 C ATOM 1273 OD1 ASP A 241 0.028 11.377 10.262 1.00 20.74 O ATOM 1274 OD2 ASP A 241 0.077 11.550 12.381 1.00 23.65 O ATOM 1275 H ASP A 241 -2.811 9.390 11.291 1.00 0.00 H ATOM 1276 N LEU A 242 -0.596 6.477 9.504 1.00 8.60 N ATOM 1277 CA LEU A 242 -0.689 5.011 9.492 1.00 8.43 C ATOM 1278 C LEU A 242 0.535 4.364 10.065 1.00 8.70 C ATOM 1279 O LEU A 242 1.646 4.604 9.515 1.00 10.91 O ATOM 1280 CB LEU A 242 -1.007 4.552 8.070 1.00 8.90 C ATOM 1281 CG LEU A 242 -1.135 3.036 7.829 1.00 8.88 C ATOM 1282 CD1 LEU A 242 -2.295 2.477 8.605 1.00 8.76 C ATOM 1283 CD2 LEU A 242 -1.324 2.786 6.331 1.00 10.19 C ATOM 1284 H LEU A 242 -0.137 6.955 8.703 1.00 0.00 H ATOM 1285 N THR A 243 0.386 3.615 11.142 1.00 8.67 N ATOM 1286 CA THR A 243 1.493 2.986 11.783 1.00 9.69 C ATOM 1287 C THR A 243 1.787 1.612 11.191 1.00 9.70 C ATOM 1288 O THR A 243 2.933 1.281 10.910 1.00 13.09 O ATOM 1289 CB THR A 243 1.215 2.906 13.309 1.00 12.54 C ATOM 1290 OG1 THR A 243 0.992 4.238 13.766 1.00 13.88 O ATOM 1291 CG2 THR A 243 2.324 2.240 14.054 1.00 18.20 C ATOM 1292 HG1 THR A 243 0.811 4.226 14.739 1.00 0.00 H ATOM 1293 H THR A 243 -0.568 3.480 11.534 1.00 0.00 H ATOM 1294 N SER A 244 0.737 0.770 11.026 1.00 9.40 N ATOM 1295 CA SER A 244 0.937 -0.581 10.511 1.00 9.24 C ATOM 1296 C SER A 244 -0.329 -1.100 9.908 1.00 8.86 C ATOM 1297 O SER A 244 -1.446 -0.711 10.324 1.00 7.97 O ATOM 1298 CB SER A 244 1.534 -1.550 11.504 1.00 14.98 C ATOM 1299 OG SER A 244 0.662 -1.679 12.558 1.00 13.31 O ATOM 1300 HG SER A 244 1.038 -2.312 13.220 1.00 0.00 H ATOM 1301 H SER A 244 -0.222 1.091 11.269 1.00 0.00 H ATOM 1302 N ALA A 245 -0.180 -2.052 8.984 1.00 9.23 N ATOM 1303 CA ALA A 245 -1.304 -2.755 8.367 1.00 9.07 C ATOM 1304 C ALA A 245 -0.837 -4.162 8.107 1.00 9.71 C ATOM 1305 O ALA A 245 0.145 -4.365 7.413 1.00 10.97 O ATOM 1306 CB ALA A 245 -1.680 -2.026 7.036 1.00 11.04 C ATOM 1307 H ALA A 245 0.784 -2.306 8.688 1.00 0.00 H ATOM 1308 N SER A 246 -1.540 -5.142 8.667 1.00 8.58 N ATOM 1309 CA SER A 246 -1.077 -6.515 8.555 1.00 8.96 C ATOM 1310 C SER A 246 -2.240 -7.451 8.644 1.00 8.19 C ATOM 1311 O SER A 246 -3.381 -7.062 8.952 1.00 9.02 O ATOM 1312 CB SER A 246 -0.097 -6.792 9.615 1.00 13.83 C ATOM 1313 OG SER A 246 -0.623 -6.716 10.871 1.00 16.51 O ATOM 1314 HG SER A 246 -1.355 -7.376 10.962 1.00 0.00 H ATOM 1315 H SER A 246 -2.417 -4.927 9.183 1.00 0.00 H ATOM 1316 N TYR A 247 -1.974 -8.756 8.434 1.00 8.34 N ATOM 1317 CA TYR A 247 -2.991 -9.783 8.550 1.00 8.10 C ATOM 1318 C TYR A 247 -2.376 -11.048 9.175 1.00 8.82 C ATOM 1319 O TYR A 247 -1.170 -11.268 9.149 1.00 10.07 O ATOM 1320 CB TYR A 247 -3.671 -10.085 7.174 1.00 9.12 C ATOM 1321 CG TYR A 247 -2.738 -10.326 6.067 1.00 8.49 C ATOM 1322 CD1 TYR A 247 -2.003 -11.552 5.987 1.00 9.97 C ATOM 1323 CD2 TYR A 247 -2.472 -9.405 5.089 1.00 10.11 C ATOM 1324 CE1 TYR A 247 -1.087 -11.693 5.000 1.00 10.75 C ATOM 1325 CE2 TYR A 247 -1.595 -9.599 4.051 1.00 11.17 C ATOM 1326 CZ TYR A 247 -0.876 -10.768 4.033 1.00 10.61 C ATOM 1327 OH TYR A 247 0.021 -10.946 3.005 1.00 14.12 O ATOM 1328 HH TYR A 247 0.697 -10.223 3.029 1.00 0.00 H ATOM 1329 H TYR A 247 -1.005 -9.036 8.180 1.00 0.00 H ATOM 1330 N THR A 248 -3.299 -11.862 9.677 1.00 8.83 N ATOM 1331 CA THR A 248 -2.927 -13.168 10.236 1.00 10.59 C ATOM 1332 C THR A 248 -4.138 -14.039 10.160 1.00 11.64 C ATOM 1333 O THR A 248 -5.268 -13.582 9.960 1.00 14.06 O ATOM 1334 CB THR A 248 -2.410 -13.036 11.685 1.00 11.57 C ATOM 1335 OG1 THR A 248 -1.668 -14.220 12.001 1.00 14.19 O ATOM 1336 CG2 THR A 248 -3.495 -12.724 12.683 1.00 13.13 C ATOM 1337 HG1 THR A 248 -1.326 -14.156 12.928 1.00 0.00 H ATOM 1338 H THR A 248 -4.297 -11.570 9.674 1.00 0.00 H ATOM 1339 N MET A 249 -3.951 -15.375 10.350 1.00 12.46 N ATOM 1340 CA MET A 249 -5.042 -16.318 10.353 1.00 13.18 C ATOM 1341 C MET A 249 -5.273 -16.724 11.853 1.00 16.65 C ATOM 1342 O MET A 249 -4.321 -17.057 12.541 1.00 23.47 O ATOM 1343 CB MET A 249 -4.712 -17.568 9.404 1.00 18.12 C ATOM 1344 CG MET A 249 -4.567 -17.194 7.932 1.00 16.93 C ATOM 1345 SD MET A 249 -6.112 -16.624 7.075 1.00 15.20 S ATOM 1346 CE MET A 249 -7.207 -17.942 7.356 1.00 14.97 C ATOM 1347 H MET A 249 -2.984 -15.728 10.499 1.00 0.00 H ATOM 1348 N ILE A 250 -6.507 -16.667 12.294 1.00 13.60 N ATOM 1349 CA ILE A 250 -6.845 -17.084 13.621 1.00 16.35 C ATOM 1350 C ILE A 250 -7.517 -18.391 13.613 1.00 21.95 C ATOM 1351 O ILE A 250 -7.839 -18.990 12.554 1.00 24.11 O ATOM 1352 CB ILE A 250 -7.613 -16.039 14.400 1.00 15.87 C ATOM 1353 CG1 ILE A 250 -8.967 -15.734 13.835 1.00 19.27 C ATOM 1354 CG2 ILE A 250 -6.748 -14.742 14.462 1.00 22.31 C ATOM 1355 CD1 ILE A 250 -9.948 -15.090 14.732 1.00 30.28 C ATOM 1356 OXT ILE A 250 -7.806 -18.906 14.738 1.00 27.79 O ATOM 1357 H ILE A 250 -7.256 -16.311 11.666 1.00 0.00 H TER 1358 ILE A 250 HETATM 1359 O HOH 1 7.253 4.323 5.862 1.00128.27 O HETATM 1360 O HOH 2 -16.773 17.119 5.819 1.00 50.60 O HETATM 1361 O HOH 3 -11.385 2.052 -4.690 1.00 37.31 O HETATM 1362 O HOH 4 -8.934 15.944 5.707 1.00148.22 O HETATM 1363 O HOH 5 -5.217 17.532 10.288 1.00 36.49 O HETATM 1364 O HOH 6 -7.696 -15.504 -6.263 1.00116.17 O HETATM 1365 O HOH 7 -7.287 -18.552 17.152 1.00 55.96 O HETATM 1366 O HOH 8 -22.129 8.108 -4.827 1.00 37.71 O HETATM 1367 O HOH 9 -1.023 -3.937 12.076 1.00 13.06 O HETATM 1368 O HOH 10 -4.893 14.011 5.373 1.00 36.87 O HETATM 1369 O HOH 11 -13.637 -16.253 11.300 1.00 18.48 O HETATM 1370 O HOH 12 -24.458 -11.953 8.759 1.00 29.13 O HETATM 1371 O HOH 13 -10.099 7.132 -0.459 1.00 20.04 O HETATM 1372 O HOH 14 -14.272 4.846 -4.834 1.00 36.81 O HETATM 1373 O HOH 15 -15.977 8.805 20.065 1.00 32.69 O HETATM 1374 O HOH 16 -9.003 3.462 0.877 1.00 10.38 O HETATM 1375 O HOH 17 -4.652 -3.229 21.520 1.00 22.02 O HETATM 1376 O HOH 18 -12.388 16.211 13.221 1.00 30.92 O HETATM 1377 O HOH 19 -14.121 -19.535 15.366 1.00 18.91 O HETATM 1378 O HOH 20 -12.513 -17.131 -8.042 1.00 70.37 O HETATM 1379 O HOH 21 -18.590 -6.106 -11.368 1.00 12.81 O HETATM 1380 O HOH 22 1.215 7.847 7.747 1.00 20.26 O HETATM 1381 O HOH 23 -5.028 -7.732 16.013 1.00 19.17 O HETATM 1382 O HOH 24 0.611 10.752 14.878 1.00 29.16 O HETATM 1383 O HOH 25 -10.736 -20.758 6.906 1.00 29.27 O HETATM 1384 O HOH 26 -27.813 4.545 0.219 1.00 25.76 O HETATM 1385 O HOH 27 -23.331 12.969 2.526 1.00 32.33 O HETATM 1386 O HOH 28 -20.846 -6.766 -14.437 1.00 36.99 O HETATM 1387 O HOH 29 -10.028 -3.582 17.658 1.00 9.07 O HETATM 1388 O HOH 30 -10.262 1.061 -8.742 1.00 16.68 O HETATM 1389 O HOH 31 -25.005 13.136 8.846 1.00 18.23 O HETATM 1390 O HOH 32 -26.483 -6.716 2.406 1.00 18.21 O HETATM 1391 O HOH 33 -25.931 -10.861 -0.589 1.00 22.02 O HETATM 1392 O HOH 34 0.150 6.590 -1.909 1.00 27.71 O HETATM 1393 O HOH 35 -21.953 1.389 8.782 1.00 19.29 O HETATM 1394 O HOH 36 -24.759 -6.129 6.543 1.00 12.14 O HETATM 1395 O HOH 37 -1.342 13.749 13.085 1.00 34.52 O HETATM 1396 O HOH 38 -23.145 -3.161 -14.828 1.00 35.62 O HETATM 1397 O HOH 39 -8.767 13.325 3.181 1.00 28.50 O HETATM 1398 O HOH 40 -14.944 -15.956 13.669 1.00 12.99 O HETATM 1399 O HOH 41 -21.454 0.871 -14.931 1.00 32.02 O HETATM 1400 O HOH 42 -4.145 -9.144 12.146 1.00 12.94 O HETATM 1401 O HOH 43 -5.510 -0.378 -2.863 1.00 14.22 O HETATM 1402 O HOH 44 -24.040 -5.959 3.010 1.00 10.20 O HETATM 1403 O HOH 45 7.951 1.928 7.395 1.00 23.29 O HETATM 1404 O HOH 46 -8.185 14.897 20.739 1.00 40.38 O HETATM 1405 O HOH 47 -19.001 19.717 12.887 1.00 21.52 O HETATM 1406 O HOH 48 -19.191 -3.291 21.457 1.00 28.06 O HETATM 1407 O HOH 49 -11.591 13.772 21.606 1.00 20.59 O HETATM 1408 O HOH 50 -0.872 10.597 6.271 1.00 68.25 O HETATM 1409 O HOH 51 -17.381 -4.941 -15.466 1.00 16.36 O HETATM 1410 O HOH 52 -22.883 -2.677 8.150 1.00 13.13 O HETATM 1411 O HOH 53 -12.508 1.173 -7.064 1.00 24.27 O HETATM 1412 O HOH 54 -17.239 -7.619 -7.385 1.00 9.47 O HETATM 1413 O HOH 55 0.703 -8.385 1.627 1.00 15.24 O HETATM 1414 O HOH 56 -3.423 11.444 4.628 1.00 45.09 O HETATM 1415 O HOH 57 -2.965 -8.755 -4.513 1.00 12.15 O HETATM 1416 O HOH 58 -16.032 8.815 1.222 1.00 14.99 O HETATM 1417 O HOH 59 -18.772 16.994 13.296 1.00 17.91 O HETATM 1418 O HOH 60 2.500 -2.278 14.534 1.00 42.47 O HETATM 1419 O HOH 61 -26.297 1.900 16.316 1.00 24.03 O HETATM 1420 O HOH 62 1.797 -6.278 6.287 1.00 28.38 O HETATM 1421 O HOH 63 -29.351 0.345 4.518 1.00 43.66 O HETATM 1422 O HOH 64 -19.077 9.452 19.606 1.00 25.96 O HETATM 1423 O HOH 65 -15.644 -2.211 -11.936 1.00 9.79 O HETATM 1424 O HOH 66 -13.774 5.578 21.551 1.00 46.57 O HETATM 1425 O HOH 67 -19.134 -7.535 -0.067 1.00 7.60 O HETATM 1426 O HOH 68 -12.476 5.529 -0.565 1.00 16.37 O HETATM 1427 O HOH 69 -27.236 -6.763 5.290 1.00 36.70 O HETATM 1428 O HOH 70 -24.474 10.049 13.154 1.00 24.13 O HETATM 1429 O HOH 71 -19.620 22.637 9.627 1.00 17.65 O HETATM 1430 O HOH 72 -14.212 17.432 10.353 1.00 41.63 O HETATM 1431 O HOH 73 -23.552 -1.740 -10.506 1.00 25.44 O HETATM 1432 O HOH 74 -7.904 0.233 -6.803 1.00 34.49 O HETATM 1433 O HOH 75 -1.463 -9.110 12.084 1.00 16.56 O HETATM 1434 O HOH 76 -10.982 7.135 20.624 1.00 18.52 O HETATM 1435 O HOH 77 -12.050 -17.547 0.277 1.00 14.72 O HETATM 1436 O HOH 78 -25.391 5.120 -3.001 1.00 31.30 O HETATM 1437 O HOH 79 -28.786 3.963 3.153 1.00 23.98 O HETATM 1438 O HOH 80 -25.958 0.932 -7.640 1.00 44.58 O HETATM 1439 O HOH 81 -16.611 -0.643 -9.177 1.00 8.98 O HETATM 1440 O HOH 82 -23.208 -5.888 14.718 1.00 25.02 O HETATM 1441 O HOH 83 -28.023 -3.902 -1.124 1.00 35.57 O HETATM 1442 O HOH 84 -14.379 -14.475 -11.469 1.00 13.37 O HETATM 1443 O HOH 85 -12.791 -7.282 23.769 1.00 40.96 O HETATM 1444 O HOH 86 -17.988 -0.046 19.151 1.00 33.50 O HETATM 1445 O HOH 87 -24.274 -12.238 13.588 1.00126.70 O HETATM 1446 O HOH 88 -21.072 20.168 7.886 1.00 19.61 O HETATM 1447 O HOH 89 -4.866 -0.077 -5.594 1.00 38.51 O HETATM 1448 O HOH 90 -17.444 -9.527 0.540 1.00 7.63 O HETATM 1449 O HOH 91 -26.895 14.517 7.610 1.00 47.47 O HETATM 1450 O HOH 92 -15.934 -7.602 16.590 1.00 14.54 O HETATM 1451 O HOH 93 -16.867 14.181 7.104 1.00 15.74 O HETATM 1452 O HOH 94 -18.911 -18.526 3.514 1.00 12.68 O HETATM 1453 O HOH 95 -23.133 6.524 -2.670 1.00 18.01 O HETATM 1454 O HOH 96 -20.130 10.864 17.566 1.00 25.86 O HETATM 1455 O HOH 97 -17.378 -11.445 -12.166 1.00 26.06 O HETATM 1456 O HOH 98 -22.030 -8.509 -5.765 1.00 15.31 O HETATM 1457 O HOH 99 3.042 -3.043 5.925 1.00 41.79 O HETATM 1458 O HOH 100 -22.673 12.904 15.540 1.00 18.42 O HETATM 1459 O HOH 101 -21.160 18.293 5.791 1.00 37.38 O HETATM 1460 O HOH 102 -22.069 -1.695 17.879 1.00 53.29 O HETATM 1461 O HOH 103 -20.292 6.906 19.455 1.00 34.30 O HETATM 1462 O HOH 104 -11.275 15.317 3.148 1.00 43.96 O HETATM 1463 O HOH 105 -20.714 -15.665 9.512 1.00 27.70 O HETATM 1464 O HOH 106 -10.246 -7.802 19.891 1.00 30.96 O HETATM 1465 O HOH 107 4.535 -0.768 9.663 1.00 25.14 O HETATM 1466 O HOH 108 -12.557 -2.207 24.410 1.00 29.71 O HETATM 1467 O HOH 109 1.329 10.365 7.875 1.00 98.04 O HETATM 1468 O HOH 110 -24.908 -9.387 -3.315 1.00 21.43 O HETATM 1469 O HOH 111 -13.396 3.641 -2.884 1.00 29.31 O HETATM 1470 O HOH 112 -26.852 -2.237 -2.922 1.00 17.81 O HETATM 1471 O HOH 113 -5.748 -5.438 23.476 1.00 59.76 O HETATM 1472 O HOH 114 -16.444 7.065 -5.521 1.00 48.07 O HETATM 1473 O HOH 115 -8.939 11.078 2.067 1.00 28.83 O HETATM 1474 O HOH 116 -9.299 5.844 19.011 1.00 12.61 O HETATM 1475 O HOH 117 -25.515 21.003 7.277 1.00 48.19 O HETATM 1476 O HOH 118 -9.300 7.591 16.953 1.00 8.56 O HETATM 1477 O HOH 119 1.262 9.689 4.132 1.00 32.88 O HETATM 1478 O HOH 120 -2.439 2.934 16.895 1.00 13.72 O HETATM 1479 O HOH 121 -22.538 5.543 -7.661 1.00 28.01 O HETATM 1480 O HOH 122 -26.609 8.821 9.130 1.00 21.95 O HETATM 1481 O HOH 123 -13.268 13.742 16.488 1.00 21.73 O HETATM 1482 O HOH 124 -11.576 8.279 23.031 1.00 16.00 O HETATM 1483 O HOH 125 -12.291 3.519 22.142 1.00 18.59 O HETATM 1484 O HOH 126 -2.722 13.376 15.306 1.00 24.28 O HETATM 1485 O HOH 127 1.310 -2.757 -2.926 1.00 38.01 O HETATM 1486 O HOH 128 -24.168 18.969 15.549 1.00 15.67 O HETATM 1487 O HOH 129 -25.187 -6.998 9.141 1.00 39.02 O HETATM 1488 O HOH 130 -25.768 -11.955 11.466 1.00191.27 O HETATM 1489 O HOH 131 -23.686 -4.237 12.414 1.00 16.93 O HETATM 1490 O HOH 132 -26.888 -2.754 8.281 1.00 47.44 O HETATM 1491 O HOH 133 -9.171 -19.797 -2.681 1.00 16.93 O HETATM 1492 O HOH 134 -6.688 1.944 -3.075 1.00 46.33 O HETATM 1493 O HOH 135 -5.539 9.557 1.541 1.00 19.13 O HETATM 1494 O HOH 136 -8.149 -6.956 -6.140 1.00 14.62 O HETATM 1495 O HOH 137 2.725 -2.546 8.414 1.00 15.79 O HETATM 1496 O HOH 138 -13.217 0.530 22.820 1.00 30.30 O HETATM 1497 O HOH 139 -26.374 -0.417 9.593 1.00 34.24 O HETATM 1498 O HOH 140 -19.201 -12.431 -9.905 1.00 19.49 O HETATM 1499 O HOH 141 -23.015 -1.769 -5.565 1.00 13.46 O HETATM 1500 O HOH 142 1.842 3.820 -0.010 1.00 20.85 O HETATM 1501 O HOH 143 4.846 3.085 3.099 1.00 17.94 O HETATM 1502 O HOH 144 -18.623 4.994 -14.617 1.00 28.21 O HETATM 1503 O HOH 145 -26.885 6.655 11.189 1.00 32.74 O HETATM 1504 O HOH 146 0.634 -11.010 11.577 1.00 43.95 O HETATM 1505 O HOH 147 -13.684 -8.108 14.829 1.00 12.61 O HETATM 1506 O HOH 148 -16.014 10.600 2.986 1.00 21.92 O HETATM 1507 O HOH 149 0.813 -9.047 7.185 1.00 25.70 O HETATM 1508 O HOH 150 -15.550 0.419 18.962 1.00 28.10 O HETATM 1509 O HOH 151 -16.790 22.592 9.170 1.00 44.22 O HETATM 1510 O HOH 152 -25.239 -10.969 2.326 1.00 14.24 O HETATM 1511 O HOH 153 -4.031 -6.534 18.460 1.00 15.84 O HETATM 1512 O HOH 154 -24.158 -3.224 -3.576 1.00 10.26 O HETATM 1513 O HOH 155 -6.637 -20.545 10.151 1.00 39.94 O HETATM 1514 O HOH 156 -3.197 11.153 2.055 1.00 49.31 O HETATM 1515 O HOH 157 -8.678 -3.190 25.591 1.00 54.88 O HETATM 1516 O HOH 158 -0.477 8.459 18.957 1.00 37.95 O HETATM 1517 O HOH 159 -1.891 -5.683 -4.678 1.00 33.06 O HETATM 1518 O HOH 160 -4.650 2.263 -1.794 1.00 17.43 O HETATM 1519 O HOH 161 -27.075 6.449 -1.009 1.00 35.45 O HETATM 1520 O HOH 162 -16.538 13.149 4.154 1.00 42.29 O HETATM 1521 O HOH 163 -26.185 -13.229 9.517 1.00 45.83 O HETATM 1522 O HOH 164 -14.533 1.634 20.791 1.00 29.69 O HETATM 1523 O HOH 165 2.557 6.764 11.840 1.00 29.31 O HETATM 1524 O HOH 166 -14.164 -17.594 -2.443 1.00 23.02 O HETATM 1525 O HOH 167 -26.781 11.390 12.768 1.00 50.29 O HETATM 1526 O HOH 168 -0.776 15.735 11.512 1.00 40.49 O HETATM 1527 O HOH 169 -18.845 -11.871 -6.724 1.00 12.11 O HETATM 1528 O HOH 170 3.551 7.391 9.581 1.00 48.51 O HETATM 1529 O HOH 171 3.177 -4.998 10.086 1.00 44.94 O HETATM 1530 O HOH 172 -29.202 1.905 -3.379 1.00 58.65 O HETATM 1531 O HOH 173 -14.804 -18.458 10.332 1.00 23.18 O HETATM 1532 O HOH 174 2.626 -11.281 5.376 1.00135.60 O HETATM 1533 O HOH 175 -15.102 21.738 10.690 1.00 79.27 O HETATM 1534 O HOH 176 -24.069 -1.483 12.216 1.00 33.36 O HETATM 1535 O HOH 177 -18.731 14.085 4.953 1.00 29.15 O HETATM 1536 O HOH 178 -24.594 -1.521 -7.743 1.00 30.85 O HETATM 1537 O HOH 179 -25.654 -5.107 10.922 1.00 48.50 O HETATM 1538 O HOH 180 -6.651 16.261 8.261 1.00 29.05 O HETATM 1539 O HOH 181 -20.153 -9.373 18.374 1.00 65.33 O HETATM 1540 O HOH 182 -6.143 16.719 18.174 1.00114.81 O HETATM 1541 O HOH 183 -0.683 -5.503 14.489 1.00 32.42 O HETATM 1542 O HOH 184 -23.318 -0.452 9.587 1.00 26.03 O HETATM 1543 O HOH 185 -29.946 3.498 -1.251 1.00 27.40 O HETATM 1544 O HOH 186 -7.101 3.087 -5.313 1.00 71.19 O HETATM 1545 O HOH 187 -7.038 3.694 -1.116 1.00 27.01 O HETATM 1546 O HOH 188 -19.798 -8.974 -7.321 1.00 13.78 O HETATM 1547 O HOH 189 -3.191 3.975 -6.652 1.00 58.18 O HETATM 1548 O HOH 190 2.434 -9.921 -0.139 1.00 34.80 O HETATM 1549 O HOH 191 -3.635 -10.042 15.723 1.00 44.31 O HETATM 1550 O HOH 192 -21.200 -10.416 16.149 1.00 42.78 O HETATM 1551 O HOH 193 2.588 5.786 -2.029 1.00200.03 O HETATM 1552 O HOH 194 -20.485 -8.108 -9.990 1.00 39.61 O HETATM 1553 O HOH 195 -7.139 10.141 -0.411 1.00 38.55 O HETATM 1554 O HOH 196 -24.540 -7.705 -5.996 1.00 24.70 O HETATM 1555 O HOH 197 -0.506 12.430 16.819 1.00 34.53 O HETATM 1556 O HOH 198 -20.377 -14.103 -7.120 1.00 19.40 O HETATM 1557 O HOH 199 -25.681 10.944 10.779 1.00 15.06 O HETATM 1558 O HOH 200 -28.253 -1.805 -5.211 1.00 43.03 O HETATM 1559 O HOH 201 7.055 -0.488 7.490 1.00 51.31 O HETATM 1560 O HOH 202 -10.037 -19.326 -0.012 1.00 21.69 O HETATM 1561 O HOH 203 -8.052 -21.446 8.131 1.00 36.26 O HETATM 1562 O HOH 204 -8.556 -23.962 8.973 1.00 40.40 O HETATM 1563 O HOH 205 -22.605 6.081 20.672 1.00 31.76 O HETATM 1564 O HOH 206 -26.428 -7.180 -2.646 1.00 52.82 O HETATM 1565 O HOH 207 4.177 2.570 0.447 1.00 24.52 O HETATM 1566 O HOH 208 -29.006 7.722 -2.363 1.00 41.52 O HETATM 1567 O HOH 209 -11.059 -21.963 4.539 1.00 40.25 O HETATM 1568 O HOH 210 2.416 -6.788 2.985 1.00 41.05 O HETATM 1569 O HOH 211 -16.451 -19.374 3.032 1.00 31.31 O HETATM 1570 O HOH 212 -25.272 -5.521 -4.612 1.00 21.39 O HETATM 1571 O HOH 213 -30.969 5.922 -2.486 1.00 40.37 O HETATM 1572 O HOH 214 1.885 13.831 17.111 1.00 63.36 O HETATM 1573 O HOH 215 2.248 -7.652 -4.437 1.00 70.43 O HETATM 1574 O HOH 216 -26.275 -3.976 -6.795 1.00 45.95 O HETATM 1575 O HOH 217 0.619 -7.002 -7.928 1.00 45.30 O HETATM 1576 O HOH 218 -22.251 7.979 22.748 1.00 36.49 O HETATM 1577 O HOH 219 -0.214 -4.541 -10.556 1.00 43.91 O HETATM 1578 O HOH 220 -35.249 1.435 -0.986 1.00 12.22 O HETATM 1579 O5 UNN A 221 -18.033 7.068 0.466 1.00 -0.39 O HETATM 1580 C6 UNN A 221 -18.337 6.824 -0.913 1.00 0.12 C HETATM 1581 C1 UNN A 221 -18.023 8.054 -1.798 1.00 0.14 C HETATM 1582 C2 UNN A 221 -18.935 9.213 -1.487 1.00 0.12 C HETATM 1583 C7 UNN A 221 -20.396 8.796 -1.573 1.00 0.14 C HETATM 1584 O1 UNN A 221 -20.596 7.722 -0.718 1.00 -0.36 O HETATM 1585 C4 UNN A 221 -19.821 6.564 -1.106 1.00 0.11 C HETATM 1586 C5 UNN A 221 -20.353 5.421 -0.274 1.00 0.07 C HETATM 1587 O2 UNN A 221 -21.790 5.267 -0.405 1.00 -0.39 O HETATM 1588 H6 UNN A 221 -22.220 6.065 -0.120 1.00 0.21 H HETATM 1589 H11 UNN A 221 -19.866 4.490 -0.600 1.00 0.06 H HETATM 1590 H12 UNN A 221 -20.112 5.611 0.782 1.00 0.06 H HETATM 1591 H10 UNN A 221 -19.993 6.343 -2.170 1.00 0.06 H HETATM 1592 S UNN A 221 -21.385 10.157 -0.983 1.00 -0.09 S HETATM 1593 C8 UNN A 221 -23.067 9.670 -1.135 1.00 0.14 C HETATM 1594 C9 UNN A 221 -23.866 9.857 0.161 1.00 0.13 C HETATM 1595 O4 UNN A 221 -23.224 9.169 1.215 1.00 -0.38 O HETATM 1596 H2 UNN A 221 -23.174 8.244 1.004 1.00 0.21 H HETATM 1597 C3 UNN A 221 -25.236 9.309 -0.049 1.00 0.15 C HETATM 1598 C10 UNN A 221 -25.791 9.950 -1.309 1.00 0.12 C HETATM 1599 C14 UNN A 221 -24.869 9.795 -2.543 1.00 0.11 C HETATM 1600 O3 UNN A 221 -23.605 10.334 -2.308 1.00 -0.36 O HETATM 1601 C16 UNN A 221 -25.406 10.498 -3.811 1.00 0.07 C HETATM 1602 O8 UNN A 221 -24.328 10.591 -4.754 1.00 -0.39 O HETATM 1603 H25 UNN A 221 -23.618 11.095 -4.373 1.00 0.21 H HETATM 1604 H23 UNN A 221 -25.767 11.505 -3.555 1.00 0.06 H HETATM 1605 H24 UNN A 221 -26.230 9.912 -4.243 1.00 0.06 H HETATM 1606 H16 UNN A 221 -24.769 8.720 -2.752 1.00 0.06 H HETATM 1607 O7 UNN A 221 -25.936 11.380 -1.127 1.00 -0.39 O HETATM 1608 H22 UNN A 221 -26.496 11.548 -0.378 1.00 0.21 H HETATM 1609 H15 UNN A 221 -26.770 9.496 -1.525 1.00 0.07 H HETATM 1610 N UNN A 221 -26.109 9.501 1.106 1.00 -0.16 N HETATM 1611 N2 UNN A 221 -26.110 10.699 1.705 1.00 -0.09 N HETATM 1612 N1 UNN A 221 -27.059 10.677 2.774 1.00 -0.22 N HETATM 1613 C22 UNN A 221 -27.609 9.449 2.859 1.00 0.07 C HETATM 1614 C26 UNN A 221 -28.595 9.089 3.944 1.00 -0.02 C HETATM 1615 C27 UNN A 221 -29.049 7.823 4.252 1.00 -0.03 C HETATM 1616 C28 UNN A 221 -29.969 7.630 5.334 1.00 0.13 C HETATM 1617 F2 UNN A 221 -30.372 6.412 5.661 1.00 -0.18 F HETATM 1618 C23 UNN A 221 -30.444 8.707 6.056 1.00 -0.03 C HETATM 1619 C24 UNN A 221 -29.998 9.982 5.733 1.00 -0.07 C HETATM 1620 C25 UNN A 221 -29.076 10.139 4.698 1.00 -0.06 C HETATM 1621 H19 UNN A 221 -28.719 11.138 4.475 1.00 0.05 H HETATM 1622 H20 UNN A 221 -30.362 10.845 6.279 1.00 0.06 H HETATM 1623 H17 UNN A 221 -31.154 8.560 6.862 1.00 0.06 H HETATM 1624 H18 UNN A 221 -28.709 6.971 3.674 1.00 0.06 H HETATM 1625 C21 UNN A 221 -26.966 8.702 1.834 1.00 0.09 C HETATM 1626 H21 UNN A 221 -27.128 7.641 1.649 1.00 0.11 H HETATM 1627 H9 UNN A 221 -25.152 8.225 -0.219 1.00 0.07 H HETATM 1628 H4 UNN A 221 -23.930 10.927 0.408 1.00 0.07 H HETATM 1629 H5 UNN A 221 -23.081 8.590 -1.343 1.00 0.07 H HETATM 1630 H14 UNN A 221 -20.668 8.530 -2.605 1.00 0.07 H HETATM 1631 O UNN A 221 -18.652 10.280 -2.385 1.00 -0.39 O HETATM 1632 H26 UNN A 221 -17.736 10.520 -2.311 1.00 0.21 H HETATM 1633 H8 UNN A 221 -18.734 9.554 -0.461 1.00 0.07 H HETATM 1634 O10 UNN A 221 -16.723 8.455 -1.576 1.00 -0.31 O HETATM 1635 C29 UNN A 221 -15.727 7.688 -2.194 1.00 0.07 C HETATM 1636 C UNN A 221 -14.489 8.497 -2.089 1.00 0.06 C HETATM 1637 C13 UNN A 221 -13.347 7.883 -2.746 1.00 0.26 C HETATM 1638 O6 UNN A 221 -12.156 8.497 -2.570 1.00 -0.23 O HETATM 1639 C11 UNN A 221 -12.008 9.732 -1.940 1.00 0.12 C HETATM 1640 C17 UNN A 221 -10.742 10.340 -1.902 1.00 -0.04 C HETATM 1641 C18 UNN A 221 -10.567 11.559 -1.242 1.00 -0.04 C HETATM 1642 C19 UNN A 221 -11.630 12.207 -0.598 1.00 0.15 C HETATM 1643 C20 UNN A 221 -13.016 11.639 -0.641 1.00 0.16 C HETATM 1644 C12 UNN A 221 -13.187 10.380 -1.365 1.00 0.03 C HETATM 1645 C15 UNN A 221 -14.446 9.721 -1.438 1.00 0.01 C HETATM 1646 H28 UNN A 221 -15.142 10.396 -1.958 1.00 0.05 H HETATM 1647 H29 UNN A 221 -14.794 9.559 -0.407 1.00 0.05 H HETATM 1648 F1 UNN A 221 -14.100 12.245 -0.020 1.00 -0.19 F HETATM 1649 F UNN A 221 -11.521 13.418 0.013 1.00 -0.19 F HETATM 1650 H30 UNN A 221 -9.584 12.015 -1.228 1.00 0.05 H HETATM 1651 H3 UNN A 221 -9.898 9.862 -2.386 1.00 0.05 H HETATM 1652 O9 UNN A 221 -13.451 6.723 -3.233 1.00 -0.37 O HETATM 1653 H27 UNN A 221 -15.838 6.707 -2.654 1.00 0.11 H HETATM 1654 H7 UNN A 221 -18.146 7.773 -2.854 1.00 0.07 H HETATM 1655 H13 UNN A 221 -17.754 5.957 -1.256 1.00 0.07 H HETATM 1656 H1 UNN A 221 -17.109 7.271 0.554 1.00 0.21 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1579 1580 1656 CONECT 1580 1579 1581 1585 1655 CONECT 1581 1580 1582 1634 1654 CONECT 1582 1581 1583 1631 1633 CONECT 1583 1582 1584 1592 1630 CONECT 1584 1583 1585 CONECT 1585 1580 1584 1586 1591 CONECT 1586 1585 1587 1589 1590 CONECT 1587 1586 1588 CONECT 1588 1587 CONECT 1589 1586 CONECT 1590 1586 CONECT 1591 1585 CONECT 1592 1583 1593 CONECT 1593 1592 1594 1600 1629 CONECT 1594 1593 1595 1597 1628 CONECT 1595 1594 1596 CONECT 1596 1595 CONECT 1597 1594 1598 1610 1627 CONECT 1598 1597 1599 1607 1609 CONECT 1599 1598 1600 1601 1606 CONECT 1600 1593 1599 CONECT 1601 1599 1602 1604 1605 CONECT 1602 1601 1603 CONECT 1603 1602 CONECT 1604 1601 CONECT 1605 1601 CONECT 1606 1599 CONECT 1607 1598 1608 CONECT 1608 1607 CONECT 1609 1598 CONECT 1610 1597 1611 1625 CONECT 1611 1610 1612 CONECT 1612 1611 1613 CONECT 1613 1612 1614 1625 CONECT 1614 1613 1615 1620 CONECT 1615 1614 1616 1624 CONECT 1616 1615 1617 1618 CONECT 1617 1616 CONECT 1618 1616 1619 1623 CONECT 1619 1618 1620 1622 CONECT 1620 1614 1619 1621 CONECT 1621 1620 CONECT 1622 1619 CONECT 1623 1618 CONECT 1624 1615 CONECT 1625 1610 1613 1626 CONECT 1626 1625 CONECT 1627 1597 CONECT 1628 1594 CONECT 1629 1593 CONECT 1630 1583 CONECT 1631 1582 1632 CONECT 1632 1631 CONECT 1633 1582 CONECT 1634 1581 1635 CONECT 1635 1634 1636 1653 CONECT 1636 1635 1637 1645 CONECT 1637 1636 1638 1652 CONECT 1638 1637 1639 CONECT 1639 1638 1640 1644 CONECT 1640 1639 1641 1651 CONECT 1641 1640 1642 1650 CONECT 1642 1641 1643 1649 CONECT 1643 1642 1644 1648 CONECT 1644 1639 1643 1645 CONECT 1645 1636 1644 1646 1647 CONECT 1646 1645 CONECT 1647 1645 CONECT 1648 1643 CONECT 1649 1642 CONECT 1650 1641 CONECT 1651 1640 CONECT 1652 1637 CONECT 1653 1635 CONECT 1654 1581 CONECT 1655 1580 CONECT 1656 1579 MASTER 0 0 0 0 0 0 0 0 1655 1 82 11 END
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Related entries of code: 5oax
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
146aa, >1KJR_1|Chain... at 99%
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3ayc
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135aa, >3AYC_1|Chains... at 99%
3ayd
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135aa, >3AYD_1|Chain... at 99%
3t1l
RCSB PDB
PDBbind
143aa, >3T1L_1|Chain... at 100%
3t1m
RCSB PDB
PDBbind
143aa, >3T1M_1|Chain... at 100%
4jc1
RCSB PDB
PDBbind
143aa, >4JC1_1|Chain... at 100%
4jck
RCSB PDB
PDBbind
143aa, >4JCK_1|Chain... at 100%
4lbl
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PDBbind
138aa, >4LBL_1|Chain... at 98%
4lbo
RCSB PDB
PDBbind
138aa, >4LBO_1|Chain... at 100%
5e88
RCSB PDB
PDBbind
139aa, >5E88_1|Chain... at 100%
5e89
RCSB PDB
PDBbind
139aa, >5E89_1|Chain... at 100%
5e8a
RCSB PDB
PDBbind
139aa, >5E8A_1|Chain... at 100%
5nf9
RCSB PDB
PDBbind
147aa, >5NF9_1|Chain... at 100%
5nfa
RCSB PDB
PDBbind
147aa, >5NFA_1|Chain... at 100%
5nfb
RCSB PDB
PDBbind
176aa, >5NFB_1|Chain... *
5ody
RCSB PDB
PDBbind
138aa, >5ODY_1|Chain... at 100%
6eog
RCSB PDB
PDBbind
138aa, >6EOG_1|Chain... at 99%
6eol
RCSB PDB
PDBbind
138aa, >6EOL_1|Chain... at 99%
6g0v
RCSB PDB
PDBbind
138aa, >6G0V_1|Chain... at 99%
6qlu
RCSB PDB
PDBbind
138aa, >6QLU_1|Chain... at 100%
6qlt
RCSB PDB
PDBbind
138aa, >6QLT_1|Chain... at 100%
6qls
RCSB PDB
PDBbind
138aa, >6QLS_1|Chain... at 100%
6qlr
RCSB PDB
PDBbind
138aa, >6QLR_1|Chain... at 100%
6qlq
RCSB PDB
PDBbind
138aa, >6QLQ_1|Chain... at 100%
6qlp
RCSB PDB
PDBbind
138aa, >6QLP_1|Chain... at 100%
6qlo
RCSB PDB
PDBbind
138aa, >6QLO_1|Chain... at 100%
6qln
RCSB PDB
PDBbind
138aa, >6QLN_1|Chain... at 100%
6qge
RCSB PDB
PDBbind
138aa, >6QGE_1|Chain... at 100%
6qgf
RCSB PDB
PDBbind
138aa, >6QGF_1|Chain... at 100%
6i78
RCSB PDB
PDBbind
138aa, >6I78_1|Chain... at 100%
6i77
RCSB PDB
PDBbind
138aa, >6I77_1|Chain... at 100%
6i76
RCSB PDB
PDBbind
138aa, >6I76_1|Chain... at 100%
6i75
RCSB PDB
PDBbind
138aa, >6I75_1|Chain... at 100%
6i74
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PDBbind
138aa, >6I74_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5ody
RCSB PDB
PDBbind
9Q5
Entry Information
PDB ID
5oax
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Galectin-3
Ligand Name
9Q5
EC.Number
E.C.-.-.-.-
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Kd=27nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 1164-1175
Ligand Properties
Formula
C
3
0
H
3
0
F
3
N
3
O
1
1
S
Molecular Weight
697.633
Exact Mass
697.155
No. of atoms
78
No. of bonds
83
Polar Surface Area
231.38
LOGP Value
0.98 (
Computed with XLOGP3
)
-0.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
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)O/C=C/1\Cc2c(OC1=O)ccc(c2F)F)O
InChI String
InChI=1S/C30H30F3N3O11S/c31-14-3-1-2-12(6-14)17-8-36(35-34-17)22-23(39)19(9-37)46-29(25(22)41)48-30-26(42)27(24(40)20(10-38)47-30)44-11-13-7-15-18(45-28(13)43)5-4-16(32)21(15)33/h1-6,8,11,19-20,22-27,29-30,37-42H,7,9-10H2/b13-11+/t19-,20-,22+,23+,24+,25-,26-,27+,29+,30+/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
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