Browse entries in the PDBbind-CN Database
HEADER 5UWN_COMPLEX COMPND 5UWN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 161 ARG THR LEU LYS TRP SER LYS MET ASN LEU THR TYR ARG SEQRES 2 A 161 ILE VAL ASN TYR THR PRO ASP MET THR HIS SER GLU VAL SEQRES 3 A 161 GLU LYS ALA PHE LYS LYS ALA PHE LYS VAL TRP SER ASP SEQRES 4 A 161 VAL THR PRO LEU ASN PHE THR ARG LEU HIS ASP GLY ILE SEQRES 5 A 161 ALA ASP ILE MET ILE SER PHE GLY ILE LYS GLU HIS GLY SEQRES 6 A 161 ASP PHE TYR PRO PHE ASP GLY PRO SER GLY LEU LEU ALA SEQRES 7 A 161 HIS ALA PHE PRO PRO GLY PRO ASN TYR GLY GLY ASP ALA SEQRES 8 A 161 HIS PHE ASP ASP ASP GLU THR TRP THR SER SER SER LYS SEQRES 9 A 161 GLY TYR ASN LEU PHE LEU VAL ALA ALA HIS GLU PHE GLY SEQRES 10 A 161 HIS SER LEU GLY LEU ASP HIS SER LYS ASP PRO GLY ALA SEQRES 11 A 161 LEU MET PHE PRO ILE TYR THR TYR THR GLY LYS SER HIS SEQRES 12 A 161 PHE MET LEU PRO ASP ASP ASP VAL GLN GLY ILE GLN SER SEQRES 13 A 161 LEU TYR GLY PRO GLY HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET CA A 4 1 HET UNN A 166 56 ATOM 1 N ARG A 109 0.909 -2.024 52.658 1.00 71.89 N ATOM 2 CA ARG A 109 0.591 -3.377 52.199 1.00 73.07 C ATOM 3 C ARG A 109 0.368 -3.463 50.679 1.00 75.79 C ATOM 4 O ARG A 109 -0.219 -2.578 50.045 1.00 70.69 O ATOM 5 CB ARG A 109 -0.652 -3.914 52.915 1.00 70.62 C ATOM 6 CG ARG A 109 -1.248 -5.143 52.236 1.00 73.09 C ATOM 7 CD ARG A 109 -2.374 -5.756 53.027 1.00 79.39 C ATOM 8 NE ARG A 109 -2.030 -5.853 54.434 1.00 86.36 N ATOM 9 CZ ARG A 109 -1.251 -6.793 54.940 1.00 78.16 C ATOM 10 NH1 ARG A 109 -0.753 -7.732 54.141 1.00 60.60 N ATOM 11 NH2 ARG A 109 -0.994 -6.785 56.246 1.00 78.11 N ATOM 12 HE ARG A 109 -2.420 -5.140 55.083 1.00 0.00 H ATOM 13 HH12 ARG A 109 -0.139 -8.475 54.532 1.00 0.00 H ATOM 14 HH11 ARG A 109 -0.977 -7.723 53.126 1.00 0.00 H ATOM 15 HH22 ARG A 109 -0.383 -7.518 56.660 1.00 0.00 H ATOM 16 HH21 ARG A 109 -1.404 -6.046 56.852 1.00 0.00 H ATOM 17 HN3 ARG A 109 0.125 -1.384 52.418 1.00 0.00 H ATOM 18 HN2 ARG A 109 1.780 -1.697 52.193 1.00 0.00 H ATOM 19 HN1 ARG A 109 1.048 -2.033 53.689 1.00 0.00 H ATOM 20 N THR A 110 0.832 -4.558 50.095 1.00 80.13 N ATOM 21 CA THR A 110 0.612 -4.858 48.690 1.00 73.25 C ATOM 22 C THR A 110 -0.102 -6.207 48.566 1.00 66.79 C ATOM 23 O THR A 110 -0.467 -6.846 49.559 1.00 63.76 O ATOM 24 CB THR A 110 1.945 -4.825 47.940 1.00 69.07 C ATOM 25 OG1 THR A 110 2.877 -5.693 48.600 1.00 69.52 O ATOM 26 CG2 THR A 110 2.515 -3.398 47.952 1.00 70.05 C ATOM 27 HG1 THR A 110 3.741 -5.675 48.118 1.00 0.00 H ATOM 28 H THR A 110 1.378 -5.233 50.668 1.00 0.00 H ATOM 29 N LEU A 111 -0.319 -6.636 47.330 1.00 64.00 N ATOM 30 CA LEU A 111 -1.028 -7.881 47.064 1.00 64.13 C ATOM 31 C LEU A 111 -0.024 -9.022 46.879 1.00 61.06 C ATOM 32 O LEU A 111 0.925 -8.898 46.094 1.00 60.54 O ATOM 33 CB LEU A 111 -1.920 -7.697 45.833 1.00 60.22 C ATOM 34 CG LEU A 111 -2.915 -8.778 45.430 1.00 59.74 C ATOM 35 CD1 LEU A 111 -3.532 -9.479 46.651 1.00 57.88 C ATOM 36 CD2 LEU A 111 -3.988 -8.107 44.598 1.00 49.44 C ATOM 37 H LEU A 111 0.026 -6.069 46.529 1.00 0.00 H ATOM 38 N LYS A 112 -0.214 -10.119 47.618 1.00 55.59 N ATOM 39 CA LYS A 112 0.792 -11.178 47.644 1.00 51.29 C ATOM 40 C LYS A 112 0.231 -12.443 48.281 1.00 48.59 C ATOM 41 O LYS A 112 -0.862 -12.442 48.850 1.00 51.72 O ATOM 42 CB LYS A 112 2.050 -10.709 48.372 1.00 52.68 C ATOM 43 CG LYS A 112 1.849 -10.403 49.848 1.00 57.20 C ATOM 44 CD LYS A 112 3.045 -9.633 50.410 1.00 54.33 C ATOM 45 CE LYS A 112 3.864 -10.594 51.293 1.00 56.09 C ATOM 46 NZ LYS A 112 5.235 -10.111 51.578 1.00 54.77 N ATOM 47 HZ1 LYS A 112 5.752 -9.992 50.684 1.00 0.00 H ATOM 48 HZ2 LYS A 112 5.184 -9.199 52.074 1.00 0.00 H ATOM 49 HZ3 LYS A 112 5.728 -10.805 52.175 1.00 0.00 H ATOM 50 H LYS A 112 -1.084 -10.220 48.179 1.00 0.00 H ATOM 51 N TRP A 113 0.997 -13.534 48.149 1.00 47.58 N ATOM 52 CA TRP A 113 0.678 -14.808 48.800 1.00 55.49 C ATOM 53 C TRP A 113 1.090 -14.780 50.273 1.00 61.45 C ATOM 54 O TRP A 113 2.185 -14.311 50.622 1.00 60.15 O ATOM 55 CB TRP A 113 1.375 -16.000 48.107 1.00 50.42 C ATOM 56 CG TRP A 113 0.903 -16.307 46.686 1.00 50.80 C ATOM 57 CD1 TRP A 113 1.514 -15.931 45.523 1.00 49.62 C ATOM 58 CD2 TRP A 113 -0.280 -17.021 46.295 1.00 46.00 C ATOM 59 NE1 TRP A 113 0.790 -16.371 44.443 1.00 48.72 N ATOM 60 CE2 TRP A 113 -0.318 -17.036 44.897 1.00 47.22 C ATOM 61 CE3 TRP A 113 -1.309 -17.639 46.994 1.00 46.75 C ATOM 62 CZ2 TRP A 113 -1.339 -17.648 44.193 1.00 50.46 C ATOM 63 CZ3 TRP A 113 -2.320 -18.241 46.290 1.00 47.18 C ATOM 64 CH2 TRP A 113 -2.332 -18.243 44.913 1.00 50.38 C ATOM 65 HE1 TRP A 113 1.041 -16.224 43.445 1.00 0.00 H ATOM 66 H TRP A 113 1.853 -13.475 47.561 1.00 0.00 H ATOM 67 N SER A 114 0.217 -15.298 51.147 1.00 60.12 N ATOM 68 CA SER A 114 0.579 -15.295 52.560 1.00 57.88 C ATOM 69 C SER A 114 1.507 -16.457 52.895 1.00 57.66 C ATOM 70 O SER A 114 2.329 -16.342 53.809 1.00 65.20 O ATOM 71 CB SER A 114 -0.670 -15.298 53.453 1.00 56.98 C ATOM 72 OG SER A 114 -1.548 -16.359 53.149 1.00 68.27 O ATOM 73 HG SER A 114 -2.334 -16.318 53.749 1.00 0.00 H ATOM 74 H SER A 114 -0.692 -15.691 50.828 1.00 0.00 H ATOM 75 N LYS A 115 1.418 -17.555 52.157 1.00 55.89 N ATOM 76 CA LYS A 115 2.313 -18.685 52.334 1.00 52.62 C ATOM 77 C LYS A 115 3.503 -18.622 51.388 1.00 52.63 C ATOM 78 O LYS A 115 3.480 -17.956 50.354 1.00 61.54 O ATOM 79 CB LYS A 115 1.550 -19.998 52.168 1.00 54.14 C ATOM 80 CG LYS A 115 0.763 -20.180 50.882 1.00 56.54 C ATOM 81 CD LYS A 115 -0.041 -21.502 50.960 1.00 64.39 C ATOM 82 CE LYS A 115 -0.972 -21.724 49.767 1.00 62.69 C ATOM 83 NZ LYS A 115 -1.757 -22.992 49.875 1.00 62.32 N ATOM 84 HZ1 LYS A 115 -1.104 -23.800 49.924 1.00 0.00 H ATOM 85 HZ2 LYS A 115 -2.341 -22.964 50.735 1.00 0.00 H ATOM 86 HZ3 LYS A 115 -2.370 -23.091 49.041 1.00 0.00 H ATOM 87 H LYS A 115 0.681 -17.609 51.425 1.00 0.00 H ATOM 88 N MET A 116 4.576 -19.278 51.793 1.00 46.83 N ATOM 89 CA MET A 116 5.793 -19.351 51.009 1.00 51.19 C ATOM 90 C MET A 116 5.927 -20.672 50.260 1.00 52.87 C ATOM 91 O MET A 116 6.851 -20.820 49.446 1.00 48.01 O ATOM 92 CB MET A 116 6.993 -19.141 51.929 1.00 52.31 C ATOM 93 CG MET A 116 7.088 -17.753 52.534 1.00 51.27 C ATOM 94 SD MET A 116 7.559 -16.583 51.265 1.00 65.55 S ATOM 95 CE MET A 116 7.584 -14.967 52.065 1.00 53.88 C ATOM 96 H MET A 116 4.546 -19.762 52.713 1.00 0.00 H ATOM 97 N ASN A 117 5.055 -21.646 50.553 1.00 52.87 N ATOM 98 CA ASN A 117 5.045 -22.950 49.895 1.00 51.87 C ATOM 99 C ASN A 117 3.817 -23.091 49.012 1.00 55.31 C ATOM 100 O ASN A 117 2.709 -23.360 49.507 1.00 51.72 O ATOM 101 CB ASN A 117 5.110 -24.066 50.919 1.00 53.83 C ATOM 102 CG ASN A 117 6.415 -24.065 51.651 1.00 55.33 C ATOM 103 OD1 ASN A 117 7.479 -24.305 51.051 1.00 50.69 O ATOM 104 ND2 ASN A 117 6.361 -23.773 52.948 1.00 57.42 N ATOM 105 HD22 ASN A 117 5.444 -23.581 53.400 1.00 0.00 H ATOM 106 HD21 ASN A 117 7.235 -23.737 53.510 1.00 0.00 H ATOM 107 H ASN A 117 4.345 -21.463 51.291 1.00 0.00 H ATOM 108 N LEU A 118 4.048 -22.987 47.700 1.00 53.88 N ATOM 109 CA LEU A 118 3.008 -22.972 46.687 1.00 50.29 C ATOM 110 C LEU A 118 3.051 -24.255 45.862 1.00 49.01 C ATOM 111 O LEU A 118 4.113 -24.857 45.671 1.00 47.62 O ATOM 112 CB LEU A 118 3.224 -21.758 45.791 1.00 44.53 C ATOM 113 CG LEU A 118 3.241 -20.460 46.600 1.00 44.90 C ATOM 114 CD1 LEU A 118 3.556 -19.278 45.721 1.00 43.17 C ATOM 115 CD2 LEU A 118 1.926 -20.259 47.322 1.00 47.43 C ATOM 116 H LEU A 118 5.036 -22.912 47.384 1.00 0.00 H ATOM 117 N THR A 119 1.893 -24.656 45.343 1.00 45.76 N ATOM 118 CA THR A 119 1.780 -25.839 44.503 1.00 41.40 C ATOM 119 C THR A 119 1.174 -25.452 43.161 1.00 46.98 C ATOM 120 O THR A 119 0.224 -24.660 43.100 1.00 47.05 O ATOM 121 CB THR A 119 0.937 -26.935 45.173 1.00 40.78 C ATOM 122 OG1 THR A 119 -0.339 -26.416 45.563 1.00 42.26 O ATOM 123 CG2 THR A 119 1.627 -27.469 46.376 1.00 48.95 C ATOM 124 HG1 THR A 119 -0.818 -26.085 44.762 1.00 0.00 H ATOM 125 H THR A 119 1.036 -24.103 45.545 1.00 0.00 H ATOM 126 N TYR A 120 1.726 -26.016 42.082 1.00 45.94 N ATOM 127 CA TYR A 120 1.160 -25.870 40.751 1.00 40.43 C ATOM 128 C TYR A 120 0.859 -27.218 40.115 1.00 40.63 C ATOM 129 O TYR A 120 1.485 -28.223 40.418 1.00 45.89 O ATOM 130 CB TYR A 120 2.086 -25.092 39.840 1.00 40.34 C ATOM 131 CG TYR A 120 3.383 -25.773 39.457 1.00 40.63 C ATOM 132 CD1 TYR A 120 4.471 -25.844 40.317 1.00 39.01 C ATOM 133 CD2 TYR A 120 3.506 -26.358 38.223 1.00 44.57 C ATOM 134 CE1 TYR A 120 5.664 -26.445 39.913 1.00 39.30 C ATOM 135 CE2 TYR A 120 4.671 -26.968 37.830 1.00 46.09 C ATOM 136 CZ TYR A 120 5.743 -27.010 38.658 1.00 40.95 C ATOM 137 OH TYR A 120 6.864 -27.636 38.161 1.00 41.68 O ATOM 138 HH TYR A 120 7.583 -27.611 38.841 1.00 0.00 H ATOM 139 H TYR A 120 2.592 -26.580 42.199 1.00 0.00 H ATOM 140 N ARG A 121 -0.079 -27.224 39.189 1.00 43.12 N ATOM 141 CA ARG A 121 -0.446 -28.414 38.435 1.00 42.66 C ATOM 142 C ARG A 121 -0.511 -28.055 36.965 1.00 46.61 C ATOM 143 O ARG A 121 -1.094 -27.029 36.603 1.00 48.09 O ATOM 144 CB ARG A 121 -1.806 -28.926 38.866 1.00 39.12 C ATOM 145 CG ARG A 121 -2.369 -29.989 37.981 1.00 40.70 C ATOM 146 CD ARG A 121 -3.783 -30.238 38.389 1.00 41.86 C ATOM 147 NE ARG A 121 -4.487 -31.123 37.483 1.00 38.98 N ATOM 148 CZ ARG A 121 -5.806 -31.289 37.468 1.00 42.04 C ATOM 149 NH1 ARG A 121 -6.596 -30.626 38.289 1.00 42.86 N ATOM 150 NH2 ARG A 121 -6.350 -32.126 36.607 1.00 51.73 N ATOM 151 HE ARG A 121 -3.922 -31.665 36.798 1.00 0.00 H ATOM 152 HH12 ARG A 121 -7.625 -30.776 38.255 1.00 0.00 H ATOM 153 HH11 ARG A 121 -6.191 -29.953 38.971 1.00 0.00 H ATOM 154 HH22 ARG A 121 -7.381 -32.259 36.592 1.00 0.00 H ATOM 155 HH21 ARG A 121 -5.748 -32.653 35.943 1.00 0.00 H ATOM 156 H ARG A 121 -0.581 -26.336 38.987 1.00 0.00 H ATOM 157 N ILE A 122 0.056 -28.900 36.111 1.00 48.01 N ATOM 158 CA ILE A 122 -0.077 -28.716 34.670 1.00 39.61 C ATOM 159 C ILE A 122 -1.283 -29.528 34.233 1.00 40.33 C ATOM 160 O ILE A 122 -1.221 -30.758 34.194 1.00 44.83 O ATOM 161 CB ILE A 122 1.181 -29.151 33.920 1.00 38.31 C ATOM 162 CG1 ILE A 122 2.401 -28.420 34.448 1.00 38.67 C ATOM 163 CG2 ILE A 122 1.015 -28.849 32.467 1.00 43.74 C ATOM 164 CD1 ILE A 122 3.675 -28.972 33.899 1.00 39.48 C ATOM 165 H ILE A 122 0.603 -29.706 36.476 1.00 0.00 H ATOM 166 N VAL A 123 -2.375 -28.841 33.892 1.00 39.76 N ATOM 167 CA VAL A 123 -3.654 -29.512 33.656 1.00 41.46 C ATOM 168 C VAL A 123 -3.679 -30.217 32.309 1.00 44.74 C ATOM 169 O VAL A 123 -4.114 -31.370 32.216 1.00 49.14 O ATOM 170 CB VAL A 123 -4.814 -28.515 33.772 1.00 37.32 C ATOM 171 CG1 VAL A 123 -6.109 -29.183 33.403 1.00 35.43 C ATOM 172 CG2 VAL A 123 -4.872 -27.984 35.168 1.00 39.12 C ATOM 173 H VAL A 123 -2.316 -27.808 33.792 1.00 0.00 H ATOM 174 N ASN A 124 -3.277 -29.528 31.243 1.00 41.09 N ATOM 175 CA ASN A 124 -3.233 -30.098 29.906 1.00 42.48 C ATOM 176 C ASN A 124 -1.991 -29.593 29.181 1.00 44.43 C ATOM 177 O ASN A 124 -1.415 -28.572 29.552 1.00 45.18 O ATOM 178 CB ASN A 124 -4.514 -29.769 29.143 1.00 43.22 C ATOM 179 CG ASN A 124 -4.873 -28.301 29.217 1.00 46.23 C ATOM 180 OD1 ASN A 124 -4.008 -27.445 29.394 1.00 47.40 O ATOM 181 ND2 ASN A 124 -6.163 -27.998 29.070 1.00 45.13 N ATOM 182 HD22 ASN A 124 -6.861 -28.754 28.922 1.00 0.00 H ATOM 183 HD21 ASN A 124 -6.471 -27.005 29.103 1.00 0.00 H ATOM 184 H ASN A 124 -2.982 -28.539 31.372 1.00 0.00 H ATOM 185 N TYR A 125 -1.563 -30.317 28.147 1.00 44.64 N ATOM 186 CA TYR A 125 -0.314 -29.991 27.473 1.00 44.13 C ATOM 187 C TYR A 125 -0.555 -29.545 26.037 1.00 48.33 C ATOM 188 O TYR A 125 -1.444 -30.052 25.346 1.00 48.63 O ATOM 189 CB TYR A 125 0.677 -31.171 27.491 1.00 44.50 C ATOM 190 CG TYR A 125 1.173 -31.579 28.890 1.00 49.26 C ATOM 191 CD1 TYR A 125 0.296 -31.940 29.897 1.00 44.26 C ATOM 192 CD2 TYR A 125 2.528 -31.519 29.210 1.00 47.92 C ATOM 193 CE1 TYR A 125 0.752 -32.274 31.133 1.00 46.86 C ATOM 194 CE2 TYR A 125 2.988 -31.864 30.451 1.00 42.63 C ATOM 195 CZ TYR A 125 2.100 -32.238 31.416 1.00 50.10 C ATOM 196 OH TYR A 125 2.543 -32.568 32.693 1.00 53.56 O ATOM 197 HH TYR A 125 3.167 -33.335 32.637 1.00 0.00 H ATOM 198 H TYR A 125 -2.128 -31.125 27.817 1.00 0.00 H ATOM 199 N THR A 126 0.313 -28.627 25.571 1.00 46.68 N ATOM 200 CA THR A 126 0.257 -28.109 24.219 1.00 42.74 C ATOM 201 C THR A 126 0.783 -29.150 23.247 1.00 46.11 C ATOM 202 O THR A 126 1.702 -29.904 23.577 1.00 46.77 O ATOM 203 CB THR A 126 1.106 -26.853 24.097 1.00 42.37 C ATOM 204 OG1 THR A 126 1.142 -26.424 22.728 1.00 42.18 O ATOM 205 CG2 THR A 126 2.515 -27.128 24.578 1.00 42.53 C ATOM 206 HG1 THR A 126 0.221 -26.230 22.420 1.00 0.00 H ATOM 207 H THR A 126 1.055 -28.275 26.209 1.00 0.00 H ATOM 208 N PRO A 127 0.226 -29.204 22.031 1.00 48.61 N ATOM 209 CA PRO A 127 0.728 -30.174 21.046 1.00 44.31 C ATOM 210 C PRO A 127 2.085 -29.791 20.514 1.00 44.79 C ATOM 211 O PRO A 127 2.790 -30.638 19.957 1.00 46.09 O ATOM 212 CB PRO A 127 -0.328 -30.133 19.945 1.00 41.20 C ATOM 213 CG PRO A 127 -1.501 -29.401 20.555 1.00 44.38 C ATOM 214 CD PRO A 127 -0.919 -28.443 21.510 1.00 41.92 C ATOM 215 N ASP A 128 2.477 -28.533 20.698 1.00 43.03 N ATOM 216 CA ASP A 128 3.693 -27.995 20.126 1.00 41.08 C ATOM 217 C ASP A 128 4.955 -28.529 20.801 1.00 45.29 C ATOM 218 O ASP A 128 6.045 -28.297 20.270 1.00 52.09 O ATOM 219 CB ASP A 128 3.668 -26.453 20.184 1.00 42.65 C ATOM 220 CG ASP A 128 2.603 -25.819 19.250 1.00 47.17 C ATOM 221 OD1 ASP A 128 2.152 -26.450 18.259 1.00 49.42 O ATOM 222 OD2 ASP A 128 2.224 -24.659 19.499 1.00 45.30 O ATOM 223 H ASP A 128 1.883 -27.908 21.279 1.00 0.00 H ATOM 224 N MET A 129 4.861 -29.195 21.958 1.00 45.31 N ATOM 225 CA MET A 129 6.046 -29.636 22.694 1.00 44.31 C ATOM 226 C MET A 129 5.729 -30.897 23.489 1.00 47.32 C ATOM 227 O MET A 129 4.574 -31.153 23.857 1.00 47.57 O ATOM 228 CB MET A 129 6.544 -28.576 23.683 1.00 41.75 C ATOM 229 CG MET A 129 6.825 -27.227 23.105 1.00 39.12 C ATOM 230 SD MET A 129 7.199 -25.999 24.358 1.00 44.57 S ATOM 231 CE MET A 129 8.823 -26.553 24.862 1.00 46.64 C ATOM 232 H MET A 129 3.919 -29.405 22.345 1.00 0.00 H ATOM 233 N THR A 130 6.777 -31.654 23.816 1.00 47.79 N ATOM 234 CA THR A 130 6.582 -32.934 24.488 1.00 50.37 C ATOM 235 C THR A 130 6.282 -32.715 25.965 1.00 48.19 C ATOM 236 O THR A 130 6.562 -31.645 26.508 1.00 48.17 O ATOM 237 CB THR A 130 7.807 -33.821 24.304 1.00 45.55 C ATOM 238 OG1 THR A 130 8.925 -33.278 25.007 1.00 40.61 O ATOM 239 CG2 THR A 130 8.136 -33.884 22.856 1.00 51.41 C ATOM 240 HG1 THR A 130 9.712 -33.865 24.878 1.00 0.00 H ATOM 241 H THR A 130 7.739 -31.330 23.591 1.00 0.00 H ATOM 242 N HIS A 131 5.660 -33.721 26.612 1.00 48.43 N ATOM 243 CA HIS A 131 5.322 -33.560 28.026 1.00 47.88 C ATOM 244 C HIS A 131 6.550 -33.116 28.788 1.00 45.25 C ATOM 245 O HIS A 131 6.525 -32.140 29.540 1.00 43.71 O ATOM 246 CB HIS A 131 4.775 -34.843 28.680 1.00 50.09 C ATOM 247 CG HIS A 131 3.430 -35.302 28.188 1.00 56.98 C ATOM 248 ND1 HIS A 131 2.505 -34.463 27.601 1.00 62.47 N ATOM 249 CD2 HIS A 131 2.831 -36.515 28.263 1.00 58.02 C ATOM 250 CE1 HIS A 131 1.421 -35.150 27.285 1.00 56.27 C ATOM 251 NE2 HIS A 131 1.591 -36.398 27.681 1.00 54.00 N ATOM 252 H HIS A 131 5.423 -34.601 26.112 1.00 0.00 H ATOM 253 N SER A 132 7.670 -33.774 28.515 1.00 46.29 N ATOM 254 CA SER A 132 8.876 -33.494 29.266 1.00 45.03 C ATOM 255 C SER A 132 9.392 -32.089 28.987 1.00 43.61 C ATOM 256 O SER A 132 9.799 -31.379 29.911 1.00 45.70 O ATOM 257 CB SER A 132 9.927 -34.544 28.925 1.00 42.04 C ATOM 258 OG SER A 132 11.221 -34.062 29.218 1.00 51.92 O ATOM 259 HG SER A 132 11.890 -34.756 28.991 1.00 0.00 H ATOM 260 H SER A 132 7.681 -34.491 27.762 1.00 0.00 H ATOM 261 N GLU A 133 9.330 -31.644 27.737 1.00 44.64 N ATOM 262 CA GLU A 133 9.788 -30.294 27.433 1.00 45.42 C ATOM 263 C GLU A 133 8.913 -29.244 28.108 1.00 42.33 C ATOM 264 O GLU A 133 9.412 -28.191 28.511 1.00 40.96 O ATOM 265 CB GLU A 133 9.838 -30.071 25.922 1.00 48.93 C ATOM 266 CG GLU A 133 10.892 -30.878 25.172 1.00 54.18 C ATOM 267 CD GLU A 133 10.845 -30.614 23.667 1.00 63.13 C ATOM 268 OE1 GLU A 133 9.911 -29.904 23.223 1.00 61.13 O ATOM 269 OE2 GLU A 133 11.739 -31.099 22.935 1.00 63.31 O ATOM 270 H GLU A 133 8.958 -32.254 26.981 1.00 0.00 H ATOM 271 N VAL A 134 7.601 -29.490 28.190 1.00 41.06 N ATOM 272 CA VAL A 134 6.710 -28.563 28.883 1.00 39.78 C ATOM 273 C VAL A 134 7.045 -28.517 30.365 1.00 42.57 C ATOM 274 O VAL A 134 7.265 -27.444 30.940 1.00 40.82 O ATOM 275 CB VAL A 134 5.239 -28.955 28.670 1.00 39.59 C ATOM 276 CG1 VAL A 134 4.343 -28.079 29.542 1.00 40.97 C ATOM 277 CG2 VAL A 134 4.852 -28.801 27.215 1.00 39.18 C ATOM 278 H VAL A 134 7.211 -30.351 27.756 1.00 0.00 H ATOM 279 N GLU A 135 7.088 -29.692 31.001 1.00 42.29 N ATOM 280 CA GLU A 135 7.360 -29.779 32.429 1.00 40.22 C ATOM 281 C GLU A 135 8.703 -29.171 32.777 1.00 43.12 C ATOM 282 O GLU A 135 8.833 -28.488 33.797 1.00 45.92 O ATOM 283 CB GLU A 135 7.320 -31.230 32.874 1.00 42.93 C ATOM 284 CG GLU A 135 5.984 -31.875 32.726 1.00 47.45 C ATOM 285 CD GLU A 135 6.109 -33.384 32.730 1.00 59.14 C ATOM 286 OE1 GLU A 135 7.268 -33.861 32.680 1.00 57.49 O ATOM 287 OE2 GLU A 135 5.066 -34.086 32.743 1.00 61.52 O ATOM 288 H GLU A 135 6.923 -30.566 30.462 1.00 0.00 H ATOM 289 N LYS A 136 9.724 -29.434 31.964 1.00 40.29 N ATOM 290 CA LYS A 136 11.013 -28.815 32.219 1.00 38.40 C ATOM 291 C LYS A 136 10.900 -27.304 32.141 1.00 38.99 C ATOM 292 O LYS A 136 11.486 -26.590 32.961 1.00 41.51 O ATOM 293 CB LYS A 136 12.066 -29.333 31.233 1.00 44.74 C ATOM 294 CG LYS A 136 13.436 -28.659 31.441 1.00 55.97 C ATOM 295 CD LYS A 136 14.545 -29.131 30.489 1.00 61.55 C ATOM 296 CE LYS A 136 15.822 -28.282 30.687 1.00 69.58 C ATOM 297 NZ LYS A 136 16.883 -28.492 29.641 1.00 68.96 N ATOM 298 HZ1 LYS A 136 17.180 -29.489 29.645 1.00 0.00 H ATOM 299 HZ2 LYS A 136 16.500 -28.247 28.706 1.00 0.00 H ATOM 300 HZ3 LYS A 136 17.701 -27.885 29.852 1.00 0.00 H ATOM 301 H LYS A 136 9.600 -30.076 31.155 1.00 0.00 H ATOM 302 N ALA A 137 10.111 -26.802 31.186 1.00 40.68 N ATOM 303 CA ALA A 137 10.058 -25.368 30.917 1.00 40.39 C ATOM 304 C ALA A 137 9.386 -24.613 32.046 1.00 40.74 C ATOM 305 O ALA A 137 9.851 -23.539 32.438 1.00 39.12 O ATOM 306 CB ALA A 137 9.313 -25.105 29.615 1.00 42.54 C ATOM 307 H ALA A 137 9.522 -27.447 30.622 1.00 0.00 H ATOM 308 N PHE A 138 8.261 -25.137 32.542 1.00 41.69 N ATOM 309 CA PHE A 138 7.571 -24.522 33.668 1.00 37.38 C ATOM 310 C PHE A 138 8.397 -24.609 34.942 1.00 38.79 C ATOM 311 O PHE A 138 8.450 -23.646 35.712 1.00 41.45 O ATOM 312 CB PHE A 138 6.208 -25.180 33.875 1.00 36.56 C ATOM 313 CG PHE A 138 5.185 -24.797 32.862 1.00 38.17 C ATOM 314 CD1 PHE A 138 5.198 -23.542 32.285 1.00 39.08 C ATOM 315 CD2 PHE A 138 4.212 -25.686 32.475 1.00 41.59 C ATOM 316 CE1 PHE A 138 4.243 -23.181 31.346 1.00 37.49 C ATOM 317 CE2 PHE A 138 3.266 -25.331 31.522 1.00 40.68 C ATOM 318 CZ PHE A 138 3.283 -24.083 30.964 1.00 38.01 C ATOM 319 H PHE A 138 7.870 -26.001 32.115 1.00 0.00 H ATOM 320 N LYS A 139 9.031 -25.756 35.198 1.00 38.81 N ATOM 321 CA LYS A 139 9.840 -25.895 36.406 1.00 41.86 C ATOM 322 C LYS A 139 10.978 -24.886 36.423 1.00 42.73 C ATOM 323 O LYS A 139 11.202 -24.210 37.432 1.00 45.90 O ATOM 324 CB LYS A 139 10.347 -27.327 36.544 1.00 42.22 C ATOM 325 CG LYS A 139 11.067 -27.598 37.839 1.00 45.29 C ATOM 326 CD LYS A 139 11.523 -29.046 37.920 1.00 61.20 C ATOM 327 CE LYS A 139 12.275 -29.340 39.213 1.00 70.79 C ATOM 328 NZ LYS A 139 12.803 -30.727 39.285 1.00 67.54 N ATOM 329 HZ1 LYS A 139 12.013 -31.401 39.222 1.00 0.00 H ATOM 330 HZ2 LYS A 139 13.461 -30.887 38.496 1.00 0.00 H ATOM 331 HZ3 LYS A 139 13.302 -30.860 40.188 1.00 0.00 H ATOM 332 H LYS A 139 8.948 -26.553 34.535 1.00 0.00 H ATOM 333 N LYS A 140 11.686 -24.736 35.304 1.00 41.47 N ATOM 334 CA LYS A 140 12.708 -23.697 35.216 1.00 40.00 C ATOM 335 C LYS A 140 12.092 -22.312 35.421 1.00 39.04 C ATOM 336 O LYS A 140 12.757 -21.398 35.918 1.00 40.67 O ATOM 337 CB LYS A 140 13.435 -23.819 33.867 1.00 36.82 C ATOM 338 CG LYS A 140 14.582 -22.826 33.564 1.00 41.32 C ATOM 339 CD LYS A 140 15.256 -23.154 32.194 1.00 41.93 C ATOM 340 CE LYS A 140 16.147 -22.016 31.646 1.00 45.77 C ATOM 341 NZ LYS A 140 17.632 -22.244 31.569 1.00 55.75 N ATOM 342 HZ1 LYS A 140 18.002 -22.438 32.522 1.00 0.00 H ATOM 343 HZ2 LYS A 140 17.825 -23.057 30.949 1.00 0.00 H ATOM 344 HZ3 LYS A 140 18.092 -21.395 31.183 1.00 0.00 H ATOM 345 H LYS A 140 11.510 -25.361 34.491 1.00 0.00 H ATOM 346 N ALA A 141 10.820 -22.141 35.062 1.00 40.93 N ATOM 347 CA ALA A 141 10.179 -20.839 35.190 1.00 39.22 C ATOM 348 C ALA A 141 9.931 -20.485 36.640 1.00 42.77 C ATOM 349 O ALA A 141 10.165 -19.343 37.047 1.00 46.94 O ATOM 350 CB ALA A 141 8.859 -20.807 34.425 1.00 38.51 C ATOM 351 H ALA A 141 10.279 -22.946 34.686 1.00 0.00 H ATOM 352 N PHE A 142 9.443 -21.438 37.440 1.00 41.29 N ATOM 353 CA PHE A 142 9.249 -21.143 38.855 1.00 38.53 C ATOM 354 C PHE A 142 10.584 -20.958 39.556 1.00 43.50 C ATOM 355 O PHE A 142 10.705 -20.124 40.462 1.00 45.17 O ATOM 356 CB PHE A 142 8.445 -22.232 39.543 1.00 35.14 C ATOM 357 CG PHE A 142 6.994 -22.206 39.222 1.00 35.60 C ATOM 358 CD1 PHE A 142 6.188 -21.192 39.693 1.00 37.45 C ATOM 359 CD2 PHE A 142 6.408 -23.253 38.547 1.00 37.18 C ATOM 360 CE1 PHE A 142 4.828 -21.171 39.420 1.00 35.71 C ATOM 361 CE2 PHE A 142 5.055 -23.249 38.287 1.00 36.72 C ATOM 362 CZ PHE A 142 4.258 -22.209 38.728 1.00 34.18 C ATOM 363 H PHE A 142 9.205 -22.376 37.059 1.00 0.00 H ATOM 364 N LYS A 143 11.599 -21.722 39.141 1.00 43.53 N ATOM 365 CA LYS A 143 12.926 -21.597 39.731 1.00 39.87 C ATOM 366 C LYS A 143 13.446 -20.174 39.629 1.00 41.14 C ATOM 367 O LYS A 143 14.182 -19.721 40.509 1.00 43.36 O ATOM 368 CB LYS A 143 13.897 -22.556 39.052 1.00 38.01 C ATOM 369 CG LYS A 143 15.291 -22.454 39.588 1.00 38.96 C ATOM 370 CD LYS A 143 16.221 -23.472 39.001 1.00 39.45 C ATOM 371 CE LYS A 143 17.633 -23.224 39.477 1.00 36.70 C ATOM 372 NZ LYS A 143 17.643 -23.158 40.950 1.00 40.95 N ATOM 373 HZ1 LYS A 143 17.026 -22.382 41.265 1.00 0.00 H ATOM 374 HZ2 LYS A 143 17.296 -24.058 41.338 1.00 0.00 H ATOM 375 HZ3 LYS A 143 18.614 -22.987 41.282 1.00 0.00 H ATOM 376 H LYS A 143 11.439 -22.417 38.384 1.00 0.00 H ATOM 377 N VAL A 144 13.061 -19.452 38.575 1.00 43.03 N ATOM 378 CA VAL A 144 13.484 -18.062 38.406 1.00 47.18 C ATOM 379 C VAL A 144 13.211 -17.252 39.669 1.00 42.18 C ATOM 380 O VAL A 144 14.061 -16.483 40.137 1.00 36.93 O ATOM 381 CB VAL A 144 12.768 -17.458 37.181 1.00 42.84 C ATOM 382 CG1 VAL A 144 12.934 -15.957 37.132 1.00 44.81 C ATOM 383 CG2 VAL A 144 13.293 -18.083 35.934 1.00 38.45 C ATOM 384 H VAL A 144 12.446 -19.887 37.858 1.00 0.00 H ATOM 385 N TRP A 145 12.037 -17.448 40.257 1.00 40.40 N ATOM 386 CA TRP A 145 11.620 -16.708 41.429 1.00 42.71 C ATOM 387 C TRP A 145 12.042 -17.397 42.722 1.00 46.52 C ATOM 388 O TRP A 145 12.452 -16.723 43.672 1.00 47.05 O ATOM 389 CB TRP A 145 10.104 -16.541 41.381 1.00 43.61 C ATOM 390 CG TRP A 145 9.658 -16.002 40.056 1.00 50.64 C ATOM 391 CD1 TRP A 145 9.025 -16.702 39.054 1.00 49.40 C ATOM 392 CD2 TRP A 145 9.826 -14.666 39.555 1.00 50.97 C ATOM 393 NE1 TRP A 145 8.779 -15.882 37.976 1.00 48.18 N ATOM 394 CE2 TRP A 145 9.262 -14.630 38.254 1.00 52.15 C ATOM 395 CE3 TRP A 145 10.382 -13.498 40.079 1.00 45.57 C ATOM 396 CZ2 TRP A 145 9.238 -13.472 37.484 1.00 48.43 C ATOM 397 CZ3 TRP A 145 10.361 -12.354 39.309 1.00 48.42 C ATOM 398 CH2 TRP A 145 9.794 -12.347 38.029 1.00 50.75 C ATOM 399 HE1 TRP A 145 8.305 -16.166 37.095 1.00 0.00 H ATOM 400 H TRP A 145 11.392 -18.161 39.860 1.00 0.00 H ATOM 401 N SER A 146 12.026 -18.733 42.756 1.00 47.10 N ATOM 402 CA SER A 146 12.441 -19.441 43.960 1.00 42.68 C ATOM 403 C SER A 146 13.891 -19.131 44.314 1.00 44.70 C ATOM 404 O SER A 146 14.247 -19.135 45.493 1.00 50.73 O ATOM 405 CB SER A 146 12.273 -20.942 43.782 1.00 43.55 C ATOM 406 OG SER A 146 13.315 -21.457 42.977 1.00 44.95 O ATOM 407 HG SER A 146 13.291 -21.020 42.089 1.00 0.00 H ATOM 408 H SER A 146 11.716 -19.269 41.920 1.00 0.00 H ATOM 409 N ASP A 147 14.749 -18.918 43.314 1.00 43.74 N ATOM 410 CA ASP A 147 16.168 -18.672 43.572 1.00 45.57 C ATOM 411 C ASP A 147 16.419 -17.348 44.281 1.00 49.78 C ATOM 412 O ASP A 147 17.487 -17.171 44.875 1.00 58.26 O ATOM 413 CB ASP A 147 16.993 -18.705 42.290 1.00 41.98 C ATOM 414 CG ASP A 147 17.170 -20.106 41.751 1.00 47.33 C ATOM 415 OD1 ASP A 147 16.807 -21.057 42.487 1.00 48.78 O ATOM 416 OD2 ASP A 147 17.745 -20.256 40.641 1.00 44.84 O ATOM 417 H ASP A 147 14.403 -18.927 42.333 1.00 0.00 H ATOM 418 N VAL A 148 15.523 -16.375 44.142 1.00 46.77 N ATOM 419 CA VAL A 148 15.741 -15.049 44.705 1.00 46.92 C ATOM 420 C VAL A 148 14.774 -14.731 45.842 1.00 49.07 C ATOM 421 O VAL A 148 14.772 -13.603 46.344 1.00 49.28 O ATOM 422 CB VAL A 148 15.682 -13.979 43.609 1.00 46.35 C ATOM 423 CG1 VAL A 148 16.728 -14.270 42.553 1.00 48.47 C ATOM 424 CG2 VAL A 148 14.318 -13.959 42.979 1.00 49.26 C ATOM 425 H VAL A 148 14.645 -16.565 43.618 1.00 0.00 H ATOM 426 N THR A 149 13.939 -15.687 46.252 1.00 49.28 N ATOM 427 CA THR A 149 12.954 -15.463 47.305 1.00 48.27 C ATOM 428 C THR A 149 12.877 -16.686 48.219 1.00 50.17 C ATOM 429 O THR A 149 13.412 -17.750 47.888 1.00 50.87 O ATOM 430 CB THR A 149 11.555 -15.187 46.726 1.00 49.19 C ATOM 431 OG1 THR A 149 11.143 -16.274 45.885 1.00 48.20 O ATOM 432 CG2 THR A 149 11.529 -13.891 45.924 1.00 51.59 C ATOM 433 HG1 THR A 149 11.788 -16.377 45.141 1.00 0.00 H ATOM 434 H THR A 149 13.992 -16.625 45.806 1.00 0.00 H ATOM 435 N PRO A 150 12.217 -16.579 49.376 1.00 50.21 N ATOM 436 CA PRO A 150 11.909 -17.771 50.177 1.00 47.57 C ATOM 437 C PRO A 150 10.868 -18.694 49.556 1.00 53.44 C ATOM 438 O PRO A 150 10.492 -19.685 50.197 1.00 50.57 O ATOM 439 CB PRO A 150 11.384 -17.180 51.477 1.00 44.81 C ATOM 440 CG PRO A 150 10.870 -15.875 51.102 1.00 46.55 C ATOM 441 CD PRO A 150 11.746 -15.358 50.043 1.00 49.78 C ATOM 442 N LEU A 151 10.307 -18.342 48.400 1.00 54.14 N ATOM 443 CA LEU A 151 9.256 -19.148 47.796 1.00 50.24 C ATOM 444 C LEU A 151 9.769 -20.536 47.417 1.00 51.43 C ATOM 445 O LEU A 151 10.958 -20.730 47.123 1.00 48.91 O ATOM 446 CB LEU A 151 8.664 -18.429 46.581 1.00 47.89 C ATOM 447 CG LEU A 151 7.886 -17.143 46.876 1.00 48.27 C ATOM 448 CD1 LEU A 151 7.529 -16.413 45.608 1.00 42.36 C ATOM 449 CD2 LEU A 151 6.616 -17.493 47.637 1.00 47.29 C ATOM 450 H LEU A 151 10.626 -17.476 47.921 1.00 0.00 H ATOM 451 N ASN A 152 8.857 -21.512 47.497 1.00 47.62 N ATOM 452 CA ASN A 152 9.090 -22.885 47.085 1.00 40.47 C ATOM 453 C ASN A 152 7.898 -23.386 46.301 1.00 41.58 C ATOM 454 O ASN A 152 6.757 -23.116 46.673 1.00 45.90 O ATOM 455 CB ASN A 152 9.264 -23.785 48.286 1.00 45.22 C ATOM 456 CG ASN A 152 10.503 -23.492 49.011 1.00 46.92 C ATOM 457 OD1 ASN A 152 11.575 -23.383 48.420 1.00 59.67 O ATOM 458 ND2 ASN A 152 10.383 -23.323 50.295 1.00 46.06 N ATOM 459 HD22 ASN A 152 9.453 -23.426 50.748 1.00 0.00 H ATOM 460 HD21 ASN A 152 11.217 -23.084 50.868 1.00 0.00 H ATOM 461 H ASN A 152 7.920 -21.272 47.879 1.00 0.00 H ATOM 462 N PHE A 153 8.157 -24.147 45.244 1.00 40.31 N ATOM 463 CA PHE A 153 7.094 -24.603 44.358 1.00 42.97 C ATOM 464 C PHE A 153 7.160 -26.109 44.163 1.00 42.44 C ATOM 465 O PHE A 153 8.203 -26.629 43.762 1.00 49.64 O ATOM 466 CB PHE A 153 7.203 -23.910 42.992 1.00 40.98 C ATOM 467 CG PHE A 153 7.090 -22.412 43.047 1.00 40.25 C ATOM 468 CD1 PHE A 153 5.849 -21.800 43.094 1.00 38.04 C ATOM 469 CD2 PHE A 153 8.228 -21.617 43.091 1.00 43.13 C ATOM 470 CE1 PHE A 153 5.746 -20.432 43.141 1.00 41.13 C ATOM 471 CE2 PHE A 153 8.132 -20.247 43.150 1.00 41.43 C ATOM 472 CZ PHE A 153 6.890 -19.654 43.178 1.00 41.60 C ATOM 473 H PHE A 153 9.140 -24.423 45.044 1.00 0.00 H ATOM 474 N THR A 154 6.045 -26.804 44.391 1.00 39.06 N ATOM 475 CA THR A 154 5.986 -28.244 44.148 1.00 47.87 C ATOM 476 C THR A 154 4.792 -28.572 43.254 1.00 48.28 C ATOM 477 O THR A 154 3.724 -27.953 43.368 1.00 43.94 O ATOM 478 CB THR A 154 5.965 -29.096 45.452 1.00 46.09 C ATOM 479 OG1 THR A 154 5.035 -28.571 46.409 1.00 38.68 O ATOM 480 CG2 THR A 154 7.361 -29.183 46.052 1.00 46.82 C ATOM 481 HG1 THR A 154 5.047 -29.135 47.223 1.00 0.00 H ATOM 482 H THR A 154 5.201 -26.312 44.749 1.00 0.00 H ATOM 483 N ARG A 155 4.986 -29.544 42.356 1.00 45.93 N ATOM 484 CA ARG A 155 4.012 -29.840 41.316 1.00 47.84 C ATOM 485 C ARG A 155 3.064 -30.942 41.778 1.00 50.33 C ATOM 486 O ARG A 155 3.500 -31.963 42.305 1.00 57.64 O ATOM 487 CB ARG A 155 4.704 -30.301 40.030 1.00 45.24 C ATOM 488 CG ARG A 155 3.740 -30.382 38.841 1.00 49.82 C ATOM 489 CD ARG A 155 4.391 -30.744 37.520 1.00 49.18 C ATOM 490 NE ARG A 155 4.021 -32.105 37.149 1.00 54.59 N ATOM 491 CZ ARG A 155 4.820 -32.984 36.566 1.00 55.81 C ATOM 492 NH1 ARG A 155 4.360 -34.193 36.264 1.00 57.61 N ATOM 493 NH2 ARG A 155 6.081 -32.672 36.328 1.00 55.71 N ATOM 494 HE ARG A 155 3.049 -32.410 37.360 1.00 0.00 H ATOM 495 HH12 ARG A 155 4.984 -34.887 35.806 1.00 0.00 H ATOM 496 HH11 ARG A 155 3.376 -34.445 36.486 1.00 0.00 H ATOM 497 HH22 ARG A 155 6.710 -33.362 35.870 1.00 0.00 H ATOM 498 HH21 ARG A 155 6.445 -31.736 36.599 1.00 0.00 H ATOM 499 H ARG A 155 5.860 -30.106 42.402 1.00 0.00 H ATOM 500 N LEU A 156 1.772 -30.749 41.549 1.00 45.16 N ATOM 501 CA LEU A 156 0.778 -31.765 41.846 1.00 44.56 C ATOM 502 C LEU A 156 0.309 -32.410 40.551 1.00 52.65 C ATOM 503 O LEU A 156 0.127 -31.728 39.536 1.00 58.18 O ATOM 504 CB LEU A 156 -0.422 -31.173 42.567 1.00 44.77 C ATOM 505 CG LEU A 156 -0.095 -30.415 43.849 1.00 47.58 C ATOM 506 CD1 LEU A 156 -1.376 -29.885 44.506 1.00 41.44 C ATOM 507 CD2 LEU A 156 0.707 -31.279 44.777 1.00 45.60 C ATOM 508 H LEU A 156 1.461 -29.843 41.145 1.00 0.00 H ATOM 509 N HIS A 157 0.143 -33.733 40.581 1.00 59.12 N ATOM 510 CA HIS A 157 -0.389 -34.462 39.433 1.00 58.92 C ATOM 511 C HIS A 157 -1.910 -34.475 39.394 1.00 57.96 C ATOM 512 O HIS A 157 -2.477 -34.771 38.336 1.00 64.29 O ATOM 513 CB HIS A 157 0.124 -35.910 39.394 1.00 60.77 C ATOM 514 CG HIS A 157 1.568 -36.054 39.009 1.00 66.86 C ATOM 515 ND1 HIS A 157 2.611 -35.720 39.850 1.00 67.26 N ATOM 516 CD2 HIS A 157 2.141 -36.544 37.880 1.00 73.35 C ATOM 517 CE1 HIS A 157 3.761 -35.976 39.247 1.00 68.80 C ATOM 518 NE2 HIS A 157 3.504 -36.477 38.051 1.00 76.57 N ATOM 519 H HIS A 157 0.398 -34.258 41.442 1.00 0.00 H ATOM 520 N ASP A 158 -2.579 -34.176 40.506 1.00 53.05 N ATOM 521 CA ASP A 158 -4.033 -34.240 40.552 1.00 58.32 C ATOM 522 C ASP A 158 -4.555 -33.160 41.477 1.00 57.21 C ATOM 523 O ASP A 158 -3.794 -32.536 42.218 1.00 59.48 O ATOM 524 CB ASP A 158 -4.526 -35.568 41.126 1.00 62.31 C ATOM 525 CG ASP A 158 -4.282 -36.728 40.213 1.00 71.07 C ATOM 526 OD1 ASP A 158 -4.264 -36.529 38.968 1.00 70.33 O ATOM 527 OD2 ASP A 158 -4.128 -37.846 40.763 1.00 68.88 O ATOM 528 H ASP A 158 -2.053 -33.892 41.357 1.00 0.00 H ATOM 529 N GLY A 159 -5.869 -32.947 41.439 1.00 49.94 N ATOM 530 CA GLY A 159 -6.424 -32.086 42.461 1.00 55.90 C ATOM 531 C GLY A 159 -6.125 -30.611 42.243 1.00 51.24 C ATOM 532 O GLY A 159 -5.543 -30.207 41.236 1.00 50.01 O ATOM 533 H GLY A 159 -6.469 -33.380 40.708 1.00 0.00 H ATOM 534 N ILE A 160 -6.488 -29.803 43.250 1.00 44.15 N ATOM 535 CA ILE A 160 -6.394 -28.350 43.135 1.00 40.75 C ATOM 536 C ILE A 160 -5.067 -27.869 43.686 1.00 41.66 C ATOM 537 O ILE A 160 -4.636 -28.304 44.754 1.00 51.53 O ATOM 538 CB ILE A 160 -7.548 -27.652 43.855 1.00 37.29 C ATOM 539 CG1 ILE A 160 -8.863 -28.385 43.625 1.00 37.37 C ATOM 540 CG2 ILE A 160 -7.659 -26.237 43.310 1.00 43.36 C ATOM 541 CD1 ILE A 160 -10.084 -27.543 44.007 1.00 37.82 C ATOM 542 H ILE A 160 -6.845 -30.221 44.133 1.00 0.00 H ATOM 543 N ALA A 161 -4.371 -27.043 42.918 1.00 41.36 N ATOM 544 CA ALA A 161 -3.107 -26.474 43.339 1.00 36.78 C ATOM 545 C ALA A 161 -3.261 -24.973 43.309 1.00 40.10 C ATOM 546 O ALA A 161 -4.224 -24.442 42.749 1.00 40.07 O ATOM 547 CB ALA A 161 -1.949 -26.916 42.449 1.00 37.42 C ATOM 548 H ALA A 161 -4.745 -26.795 41.980 1.00 0.00 H ATOM 549 N ASP A 162 -2.298 -24.297 43.929 1.00 40.74 N ATOM 550 CA ASP A 162 -2.388 -22.847 44.063 1.00 46.53 C ATOM 551 C ASP A 162 -2.393 -22.185 42.685 1.00 50.22 C ATOM 552 O ASP A 162 -3.334 -21.468 42.320 1.00 50.76 O ATOM 553 CB ASP A 162 -1.221 -22.353 44.923 1.00 49.59 C ATOM 554 CG ASP A 162 -1.326 -22.802 46.389 1.00 56.68 C ATOM 555 OD1 ASP A 162 -2.473 -22.919 46.886 1.00 60.97 O ATOM 556 OD2 ASP A 162 -0.264 -23.082 47.021 1.00 49.84 O ATOM 557 H ASP A 162 -1.478 -24.804 44.320 1.00 0.00 H ATOM 558 N ILE A 163 -1.386 -22.483 41.881 1.00 47.03 N ATOM 559 CA ILE A 163 -1.243 -21.958 40.536 1.00 42.59 C ATOM 560 C ILE A 163 -1.612 -23.082 39.580 1.00 41.85 C ATOM 561 O ILE A 163 -0.853 -24.044 39.416 1.00 42.41 O ATOM 562 CB ILE A 163 0.184 -21.442 40.302 1.00 38.92 C ATOM 563 CG1 ILE A 163 0.493 -20.319 41.304 1.00 38.96 C ATOM 564 CG2 ILE A 163 0.388 -21.066 38.866 1.00 36.78 C ATOM 565 CD1 ILE A 163 1.918 -19.838 41.316 1.00 34.07 C ATOM 566 H ILE A 163 -0.654 -23.132 42.234 1.00 0.00 H ATOM 567 N MET A 164 -2.773 -22.983 38.946 1.00 39.74 N ATOM 568 CA MET A 164 -3.207 -24.013 38.017 1.00 39.24 C ATOM 569 C MET A 164 -3.014 -23.556 36.582 1.00 41.47 C ATOM 570 O MET A 164 -3.603 -22.562 36.157 1.00 44.09 O ATOM 571 CB MET A 164 -4.634 -24.460 38.308 1.00 33.61 C ATOM 572 CG MET A 164 -4.544 -25.346 39.510 1.00 43.06 C ATOM 573 SD MET A 164 -5.824 -26.533 39.833 1.00 42.51 S ATOM 574 CE MET A 164 -5.741 -27.497 38.364 1.00 49.03 C ATOM 575 H MET A 164 -3.381 -22.157 39.116 1.00 0.00 H ATOM 576 N ILE A 165 -2.150 -24.277 35.864 1.00 39.87 N ATOM 577 CA ILE A 165 -1.694 -23.924 34.525 1.00 39.67 C ATOM 578 C ILE A 165 -2.452 -24.762 33.520 1.00 41.18 C ATOM 579 O ILE A 165 -2.522 -25.987 33.668 1.00 44.08 O ATOM 580 CB ILE A 165 -0.192 -24.191 34.364 1.00 37.85 C ATOM 581 CG1 ILE A 165 0.628 -23.478 35.416 1.00 38.33 C ATOM 582 CG2 ILE A 165 0.273 -23.802 33.003 1.00 36.17 C ATOM 583 CD1 ILE A 165 2.043 -23.983 35.395 1.00 41.42 C ATOM 584 H ILE A 165 -1.777 -25.150 36.289 1.00 0.00 H ATOM 585 N SER A 166 -2.965 -24.127 32.470 1.00 39.82 N ATOM 586 CA SER A 166 -3.645 -24.856 31.406 1.00 41.04 C ATOM 587 C SER A 166 -3.472 -24.117 30.086 1.00 42.78 C ATOM 588 O SER A 166 -3.252 -22.900 30.063 1.00 40.46 O ATOM 589 CB SER A 166 -5.120 -25.064 31.742 1.00 39.21 C ATOM 590 OG SER A 166 -5.719 -23.835 32.077 1.00 43.22 O ATOM 591 HG SER A 166 -6.674 -23.983 32.293 1.00 0.00 H ATOM 592 H SER A 166 -2.880 -23.092 32.407 1.00 0.00 H ATOM 593 N PHE A 167 -3.511 -24.888 28.989 1.00 42.22 N ATOM 594 CA PHE A 167 -3.534 -24.371 27.621 1.00 43.24 C ATOM 595 C PHE A 167 -4.968 -24.362 27.105 1.00 47.72 C ATOM 596 O PHE A 167 -5.754 -25.269 27.412 1.00 52.30 O ATOM 597 CB PHE A 167 -2.668 -25.213 26.673 1.00 43.51 C ATOM 598 CG PHE A 167 -1.198 -25.208 26.993 1.00 44.19 C ATOM 599 CD1 PHE A 167 -0.672 -26.075 27.922 1.00 40.09 C ATOM 600 CD2 PHE A 167 -0.333 -24.342 26.334 1.00 46.45 C ATOM 601 CE1 PHE A 167 0.677 -26.065 28.209 1.00 40.83 C ATOM 602 CE2 PHE A 167 1.032 -24.328 26.620 1.00 41.84 C ATOM 603 CZ PHE A 167 1.533 -25.187 27.560 1.00 40.05 C ATOM 604 H PHE A 167 -3.526 -25.920 29.120 1.00 0.00 H ATOM 605 N GLY A 168 -5.309 -23.349 26.314 1.00 40.54 N ATOM 606 CA GLY A 168 -6.651 -23.294 25.760 1.00 39.04 C ATOM 607 C GLY A 168 -6.765 -22.217 24.709 1.00 43.74 C ATOM 608 O GLY A 168 -5.859 -21.399 24.517 1.00 45.47 O ATOM 609 H GLY A 168 -4.620 -22.602 26.094 1.00 0.00 H ATOM 610 N ILE A 169 -7.911 -22.217 24.029 1.00 39.78 N ATOM 611 CA ILE A 169 -8.125 -21.325 22.901 1.00 43.63 C ATOM 612 C ILE A 169 -9.469 -20.637 23.056 1.00 45.14 C ATOM 613 O ILE A 169 -10.343 -21.092 23.797 1.00 46.39 O ATOM 614 CB ILE A 169 -8.052 -22.069 21.549 1.00 45.76 C ATOM 615 CG1 ILE A 169 -9.198 -23.073 21.452 1.00 46.24 C ATOM 616 CG2 ILE A 169 -6.702 -22.774 21.401 1.00 42.47 C ATOM 617 CD1 ILE A 169 -9.366 -23.728 20.119 1.00 43.45 C ATOM 618 H ILE A 169 -8.670 -22.870 24.312 1.00 0.00 H ATOM 619 N LYS A 170 -9.608 -19.511 22.347 1.00 47.53 N ATOM 620 CA LYS A 170 -10.812 -18.681 22.307 1.00 45.43 C ATOM 621 C LYS A 170 -11.448 -18.468 23.669 1.00 42.81 C ATOM 622 O LYS A 170 -10.808 -17.987 24.602 1.00 42.54 O ATOM 623 CB LYS A 170 -11.860 -19.259 21.352 1.00 40.61 C ATOM 624 CG LYS A 170 -11.866 -18.661 19.952 1.00 44.16 C ATOM 625 CD LYS A 170 -10.727 -19.086 19.081 1.00 46.98 C ATOM 626 CE LYS A 170 -10.923 -18.552 17.682 1.00 48.72 C ATOM 627 NZ LYS A 170 -9.935 -19.152 16.740 1.00 52.54 N ATOM 628 HZ1 LYS A 170 -8.972 -18.919 17.055 1.00 0.00 H ATOM 629 HZ2 LYS A 170 -10.056 -20.185 16.724 1.00 0.00 H ATOM 630 HZ3 LYS A 170 -10.091 -18.769 15.786 1.00 0.00 H ATOM 631 H LYS A 170 -8.794 -19.201 21.778 1.00 0.00 H ATOM 632 N GLU A 171 -12.715 -18.821 23.776 1.00 46.65 N ATOM 633 CA GLU A 171 -13.465 -18.670 25.008 1.00 47.78 C ATOM 634 C GLU A 171 -13.157 -19.917 25.834 1.00 46.85 C ATOM 635 O GLU A 171 -13.519 -21.028 25.438 1.00 49.73 O ATOM 636 CB GLU A 171 -14.951 -18.564 24.683 1.00 46.95 C ATOM 637 CG GLU A 171 -15.761 -17.817 25.697 1.00 55.25 C ATOM 638 CD GLU A 171 -15.560 -16.294 25.683 1.00 59.48 C ATOM 639 OE1 GLU A 171 -15.359 -15.721 24.580 1.00 50.08 O ATOM 640 OE2 GLU A 171 -15.617 -15.669 26.779 1.00 58.77 O ATOM 641 H GLU A 171 -13.194 -19.223 22.945 1.00 0.00 H ATOM 642 N HIS A 172 -12.434 -19.763 26.944 1.00 47.57 N ATOM 643 CA HIS A 172 -11.952 -20.932 27.681 1.00 46.95 C ATOM 644 C HIS A 172 -12.412 -20.993 29.139 1.00 48.37 C ATOM 645 O HIS A 172 -11.922 -21.841 29.890 1.00 45.70 O ATOM 646 CB HIS A 172 -10.419 -21.016 27.613 1.00 42.10 C ATOM 647 CG HIS A 172 -9.707 -19.777 28.070 1.00 41.89 C ATOM 648 ND1 HIS A 172 -9.724 -18.598 27.360 1.00 49.33 N ATOM 649 CD2 HIS A 172 -8.901 -19.559 29.134 1.00 40.94 C ATOM 650 CE1 HIS A 172 -8.995 -17.694 27.990 1.00 45.70 C ATOM 651 NE2 HIS A 172 -8.479 -18.255 29.067 1.00 41.20 N ATOM 652 H HIS A 172 -12.211 -18.807 27.288 1.00 0.00 H ATOM 653 N GLY A 173 -13.342 -20.149 29.556 1.00 46.95 N ATOM 654 CA GLY A 173 -13.929 -20.241 30.870 1.00 40.77 C ATOM 655 C GLY A 173 -13.594 -19.137 31.861 1.00 42.70 C ATOM 656 O GLY A 173 -13.777 -19.344 33.054 1.00 44.12 O ATOM 657 H GLY A 173 -13.660 -19.394 28.915 1.00 0.00 H ATOM 658 N ASP A 174 -13.131 -17.978 31.399 1.00 46.75 N ATOM 659 CA ASP A 174 -12.936 -16.792 32.217 1.00 38.78 C ATOM 660 C ASP A 174 -13.291 -15.583 31.367 1.00 39.35 C ATOM 661 O ASP A 174 -13.432 -15.682 30.151 1.00 48.92 O ATOM 662 CB ASP A 174 -11.505 -16.704 32.730 1.00 39.64 C ATOM 663 CG ASP A 174 -10.506 -16.683 31.626 1.00 39.23 C ATOM 664 OD1 ASP A 174 -10.922 -16.847 30.469 1.00 44.99 O ATOM 665 OD2 ASP A 174 -9.307 -16.522 31.896 1.00 39.60 O ATOM 666 H ASP A 174 -12.894 -17.917 30.388 1.00 0.00 H ATOM 667 N PHE A 175 -13.368 -14.419 31.985 1.00 41.85 N ATOM 668 CA PHE A 175 -13.794 -13.245 31.227 1.00 45.45 C ATOM 669 C PHE A 175 -12.779 -12.762 30.189 1.00 43.37 C ATOM 670 O PHE A 175 -13.078 -11.785 29.497 1.00 42.09 O ATOM 671 CB PHE A 175 -14.121 -12.104 32.192 1.00 44.96 C ATOM 672 CG PHE A 175 -15.449 -12.246 32.846 1.00 40.90 C ATOM 673 CD1 PHE A 175 -16.487 -12.843 32.187 1.00 45.01 C ATOM 674 CD2 PHE A 175 -15.639 -11.848 34.135 1.00 47.52 C ATOM 675 CE1 PHE A 175 -17.699 -12.993 32.787 1.00 45.26 C ATOM 676 CE2 PHE A 175 -16.848 -12.013 34.743 1.00 48.79 C ATOM 677 CZ PHE A 175 -17.875 -12.584 34.065 1.00 46.12 C ATOM 678 H PHE A 175 -13.129 -14.339 32.994 1.00 0.00 H ATOM 679 N TYR A 176 -11.618 -13.403 30.038 1.00 42.29 N ATOM 680 CA TYR A 176 -10.526 -12.901 29.201 1.00 44.47 C ATOM 681 C TYR A 176 -10.198 -13.870 28.069 1.00 47.12 C ATOM 682 O TYR A 176 -9.144 -14.517 28.096 1.00 44.19 O ATOM 683 CB TYR A 176 -9.275 -12.665 30.044 1.00 47.12 C ATOM 684 CG TYR A 176 -9.459 -11.710 31.200 1.00 54.69 C ATOM 685 CD1 TYR A 176 -10.376 -10.675 31.134 1.00 56.09 C ATOM 686 CD2 TYR A 176 -8.733 -11.863 32.368 1.00 62.22 C ATOM 687 CE1 TYR A 176 -10.540 -9.803 32.190 1.00 64.52 C ATOM 688 CE2 TYR A 176 -8.892 -10.999 33.432 1.00 69.84 C ATOM 689 CZ TYR A 176 -9.799 -9.971 33.339 1.00 68.01 C ATOM 690 OH TYR A 176 -9.962 -9.107 34.399 1.00 70.63 O ATOM 691 HH TYR A 176 -10.647 -8.431 34.169 1.00 0.00 H ATOM 692 H TYR A 176 -11.482 -14.304 30.540 1.00 0.00 H ATOM 693 N PRO A 177 -11.048 -13.962 27.039 1.00 47.91 N ATOM 694 CA PRO A 177 -10.868 -15.028 26.055 1.00 44.77 C ATOM 695 C PRO A 177 -9.706 -14.728 25.135 1.00 42.80 C ATOM 696 O PRO A 177 -9.361 -13.578 24.874 1.00 43.23 O ATOM 697 CB PRO A 177 -12.191 -15.035 25.286 1.00 41.53 C ATOM 698 CG PRO A 177 -12.680 -13.692 25.401 1.00 38.45 C ATOM 699 CD PRO A 177 -12.143 -13.064 26.649 1.00 42.59 C ATOM 700 N PHE A 178 -9.125 -15.784 24.606 1.00 44.60 N ATOM 701 CA PHE A 178 -8.084 -15.594 23.628 1.00 42.85 C ATOM 702 C PHE A 178 -8.709 -15.356 22.256 1.00 48.94 C ATOM 703 O PHE A 178 -9.935 -15.392 22.077 1.00 45.49 O ATOM 704 CB PHE A 178 -7.161 -16.802 23.584 1.00 45.02 C ATOM 705 CG PHE A 178 -6.310 -16.949 24.789 1.00 43.52 C ATOM 706 CD1 PHE A 178 -5.419 -15.949 25.151 1.00 45.58 C ATOM 707 CD2 PHE A 178 -6.357 -18.103 25.534 1.00 41.98 C ATOM 708 CE1 PHE A 178 -4.596 -16.075 26.267 1.00 42.20 C ATOM 709 CE2 PHE A 178 -5.541 -18.248 26.644 1.00 47.22 C ATOM 710 CZ PHE A 178 -4.652 -17.224 27.011 1.00 46.74 C ATOM 711 H PHE A 178 -9.413 -16.742 24.890 1.00 0.00 H ATOM 712 N ASP A 179 -7.835 -15.029 21.300 1.00 49.74 N ATOM 713 CA ASP A 179 -8.209 -14.538 19.984 1.00 38.20 C ATOM 714 C ASP A 179 -7.658 -15.355 18.833 1.00 43.94 C ATOM 715 O ASP A 179 -7.668 -14.866 17.705 1.00 56.32 O ATOM 716 CB ASP A 179 -7.722 -13.103 19.847 1.00 39.44 C ATOM 717 CG ASP A 179 -6.273 -12.936 20.306 1.00 45.93 C ATOM 718 OD1 ASP A 179 -5.529 -13.945 20.352 1.00 43.52 O ATOM 719 OD2 ASP A 179 -5.882 -11.788 20.635 1.00 47.46 O ATOM 720 H ASP A 179 -6.822 -15.132 21.511 1.00 0.00 H ATOM 721 N GLY A 180 -7.127 -16.544 19.066 1.00 44.39 N ATOM 722 CA GLY A 180 -6.472 -17.262 17.996 1.00 42.46 C ATOM 723 C GLY A 180 -5.066 -16.764 17.664 1.00 43.40 C ATOM 724 O GLY A 180 -4.462 -15.970 18.396 1.00 43.62 O ATOM 725 H GLY A 180 -7.181 -16.961 20.017 1.00 0.00 H ATOM 726 N PRO A 181 -4.545 -17.176 16.507 1.00 44.19 N ATOM 727 CA PRO A 181 -3.128 -16.935 16.201 1.00 42.92 C ATOM 728 C PRO A 181 -2.770 -15.462 16.143 1.00 43.51 C ATOM 729 O PRO A 181 -3.527 -14.633 15.632 1.00 41.69 O ATOM 730 CB PRO A 181 -2.947 -17.610 14.845 1.00 40.23 C ATOM 731 CG PRO A 181 -4.316 -17.840 14.353 1.00 37.35 C ATOM 732 CD PRO A 181 -5.155 -18.080 15.529 1.00 36.80 C ATOM 733 N SER A 182 -1.564 -15.169 16.635 1.00 44.65 N ATOM 734 CA SER A 182 -1.095 -13.823 16.956 1.00 50.78 C ATOM 735 C SER A 182 -1.975 -13.179 18.027 1.00 48.94 C ATOM 736 O SER A 182 -2.670 -13.870 18.774 1.00 43.71 O ATOM 737 CB SER A 182 -1.052 -12.937 15.716 1.00 50.11 C ATOM 738 OG SER A 182 -0.646 -11.618 16.063 1.00 57.71 O ATOM 739 HG SER A 182 -0.623 -11.056 15.248 1.00 0.00 H ATOM 740 H SER A 182 -0.909 -15.959 16.803 1.00 0.00 H ATOM 741 N GLY A 183 -1.949 -11.858 18.101 1.00 48.56 N ATOM 742 CA GLY A 183 -2.646 -11.147 19.157 1.00 41.75 C ATOM 743 C GLY A 183 -2.150 -11.534 20.530 1.00 44.69 C ATOM 744 O GLY A 183 -0.948 -11.680 20.761 1.00 45.64 O ATOM 745 H GLY A 183 -1.418 -11.318 17.388 1.00 0.00 H ATOM 746 N LEU A 184 -3.097 -11.768 21.436 1.00 48.95 N ATOM 747 CA LEU A 184 -2.809 -12.115 22.824 1.00 41.92 C ATOM 748 C LEU A 184 -2.141 -13.479 22.928 1.00 45.43 C ATOM 749 O LEU A 184 -2.314 -14.342 22.063 1.00 49.65 O ATOM 750 CB LEU A 184 -4.096 -12.125 23.614 1.00 34.99 C ATOM 751 CG LEU A 184 -4.601 -10.718 23.681 1.00 33.72 C ATOM 752 CD1 LEU A 184 -5.910 -10.731 24.390 1.00 32.95 C ATOM 753 CD2 LEU A 184 -3.564 -9.873 24.389 1.00 37.18 C ATOM 754 H LEU A 184 -4.092 -11.700 21.140 1.00 0.00 H ATOM 755 N LEU A 185 -1.359 -13.675 23.994 1.00 41.12 N ATOM 756 CA LEU A 185 -0.686 -14.973 24.007 1.00 45.52 C ATOM 757 C LEU A 185 -0.815 -15.735 25.326 1.00 46.34 C ATOM 758 O LEU A 185 -0.958 -16.966 25.307 1.00 40.85 O ATOM 759 CB LEU A 185 0.749 -14.764 23.553 1.00 43.92 C ATOM 760 CG LEU A 185 1.691 -13.896 24.325 1.00 41.26 C ATOM 761 CD1 LEU A 185 2.504 -14.845 25.109 1.00 45.42 C ATOM 762 CD2 LEU A 185 2.516 -13.133 23.358 1.00 39.51 C ATOM 763 H LEU A 185 -1.240 -12.968 24.747 1.00 0.00 H ATOM 764 N ALA A 186 -0.730 -15.053 26.467 1.00 48.65 N ATOM 765 CA ALA A 186 -0.956 -15.692 27.761 1.00 42.34 C ATOM 766 C ALA A 186 -1.477 -14.655 28.738 1.00 40.40 C ATOM 767 O ALA A 186 -1.324 -13.455 28.528 1.00 48.93 O ATOM 768 CB ALA A 186 0.318 -16.328 28.326 1.00 41.33 C ATOM 769 H ALA A 186 -0.497 -14.040 26.436 1.00 0.00 H ATOM 770 N HIS A 187 -2.082 -15.128 29.823 1.00 41.73 N ATOM 771 CA HIS A 187 -2.403 -14.270 30.957 1.00 39.35 C ATOM 772 C HIS A 187 -2.437 -15.115 32.221 1.00 38.95 C ATOM 773 O HIS A 187 -2.604 -16.336 32.173 1.00 36.39 O ATOM 774 CB HIS A 187 -3.728 -13.517 30.780 1.00 35.52 C ATOM 775 CG HIS A 187 -4.892 -14.395 30.445 1.00 38.05 C ATOM 776 ND1 HIS A 187 -5.403 -14.496 29.171 1.00 43.76 N ATOM 777 CD2 HIS A 187 -5.640 -15.215 31.214 1.00 37.78 C ATOM 778 CE1 HIS A 187 -6.425 -15.334 29.174 1.00 41.86 C ATOM 779 NE2 HIS A 187 -6.586 -15.787 30.401 1.00 39.24 N ATOM 780 H HIS A 187 -2.333 -16.136 29.864 1.00 0.00 H ATOM 781 N ALA A 188 -2.260 -14.445 33.354 1.00 37.54 N ATOM 782 CA ALA A 188 -2.224 -15.092 34.650 1.00 35.02 C ATOM 783 C ALA A 188 -2.867 -14.191 35.684 1.00 38.94 C ATOM 784 O ALA A 188 -2.792 -12.966 35.582 1.00 41.33 O ATOM 785 CB ALA A 188 -0.796 -15.400 35.070 1.00 37.17 C ATOM 786 H ALA A 188 -2.142 -13.413 33.309 1.00 0.00 H ATOM 787 N PHE A 189 -3.489 -14.816 36.731 1.00 41.76 N ATOM 788 CA PHE A 189 -4.204 -13.936 37.648 1.00 42.97 C ATOM 789 C PHE A 189 -3.343 -13.605 38.870 1.00 47.53 C ATOM 790 O PHE A 189 -2.439 -14.371 39.230 1.00 47.04 O ATOM 791 CB PHE A 189 -5.506 -14.561 38.147 1.00 40.47 C ATOM 792 CG PHE A 189 -6.507 -14.854 37.076 1.00 46.78 C ATOM 793 CD1 PHE A 189 -6.152 -14.931 35.747 1.00 51.09 C ATOM 794 CD2 PHE A 189 -7.839 -14.957 37.395 1.00 52.72 C ATOM 795 CE1 PHE A 189 -7.091 -15.194 34.779 1.00 48.15 C ATOM 796 CE2 PHE A 189 -8.778 -15.199 36.417 1.00 53.45 C ATOM 797 CZ PHE A 189 -8.398 -15.311 35.113 1.00 46.68 C ATOM 798 H PHE A 189 -3.454 -15.847 36.863 1.00 0.00 H ATOM 799 N PRO A 190 -3.550 -12.450 39.504 1.00 48.59 N ATOM 800 CA PRO A 190 -2.804 -12.126 40.739 1.00 48.97 C ATOM 801 C PRO A 190 -3.232 -13.030 41.885 1.00 49.05 C ATOM 802 O PRO A 190 -4.259 -13.728 41.776 1.00 43.85 O ATOM 803 CB PRO A 190 -3.169 -10.657 40.997 1.00 49.73 C ATOM 804 CG PRO A 190 -4.466 -10.473 40.306 1.00 53.63 C ATOM 805 CD PRO A 190 -4.403 -11.331 39.072 1.00 45.31 C ATOM 806 N PRO A 191 -2.455 -13.063 42.986 1.00 49.12 N ATOM 807 CA PRO A 191 -2.733 -14.008 44.082 1.00 46.82 C ATOM 808 C PRO A 191 -4.126 -13.862 44.692 1.00 51.28 C ATOM 809 O PRO A 191 -4.646 -12.759 44.859 1.00 51.28 O ATOM 810 CB PRO A 191 -1.641 -13.681 45.099 1.00 44.56 C ATOM 811 CG PRO A 191 -0.532 -13.147 44.273 1.00 44.04 C ATOM 812 CD PRO A 191 -1.173 -12.362 43.187 1.00 44.19 C ATOM 813 N GLY A 192 -4.688 -15.001 45.111 1.00 52.47 N ATOM 814 CA GLY A 192 -6.058 -15.078 45.573 1.00 52.60 C ATOM 815 C GLY A 192 -6.600 -16.498 45.475 1.00 60.27 C ATOM 816 O GLY A 192 -5.883 -17.427 45.081 1.00 60.42 O ATOM 817 H GLY A 192 -4.116 -15.869 45.105 1.00 0.00 H ATOM 818 N PRO A 193 -7.854 -16.704 45.881 1.00 60.74 N ATOM 819 CA PRO A 193 -8.460 -18.041 45.812 1.00 58.19 C ATOM 820 C PRO A 193 -9.044 -18.370 44.443 1.00 65.75 C ATOM 821 O PRO A 193 -9.443 -17.488 43.674 1.00 63.14 O ATOM 822 CB PRO A 193 -9.589 -17.950 46.834 1.00 59.32 C ATOM 823 CG PRO A 193 -10.024 -16.500 46.725 1.00 58.55 C ATOM 824 CD PRO A 193 -8.807 -15.686 46.352 1.00 57.05 C ATOM 825 N ASN A 194 -9.146 -19.678 44.175 1.00 65.17 N ATOM 826 CA ASN A 194 -9.759 -20.201 42.943 1.00 67.12 C ATOM 827 C ASN A 194 -8.956 -19.668 41.771 1.00 62.35 C ATOM 828 O ASN A 194 -7.746 -19.948 41.699 1.00 59.18 O ATOM 829 CB ASN A 194 -11.251 -19.888 42.897 1.00 67.98 C ATOM 830 CG ASN A 194 -11.998 -20.555 44.004 1.00 79.23 C ATOM 831 OD1 ASN A 194 -11.702 -21.701 44.354 1.00 87.28 O ATOM 832 ND2 ASN A 194 -12.954 -19.843 44.599 1.00 73.65 N ATOM 833 HD22 ASN A 194 -13.168 -18.880 44.268 1.00 0.00 H ATOM 834 HD21 ASN A 194 -13.487 -20.250 45.394 1.00 0.00 H ATOM 835 H ASN A 194 -8.775 -20.357 44.870 1.00 0.00 H ATOM 836 N TYR A 195 -9.553 -18.888 40.869 1.00 64.77 N ATOM 837 CA TYR A 195 -8.817 -18.365 39.731 1.00 59.31 C ATOM 838 C TYR A 195 -7.551 -17.627 40.117 1.00 56.41 C ATOM 839 O TYR A 195 -6.620 -17.585 39.305 1.00 52.42 O ATOM 840 CB TYR A 195 -9.727 -17.453 38.912 1.00 49.50 C ATOM 841 CG TYR A 195 -10.506 -18.243 37.914 1.00 61.84 C ATOM 842 CD1 TYR A 195 -10.076 -19.524 37.565 1.00 67.29 C ATOM 843 CD2 TYR A 195 -11.609 -17.713 37.252 1.00 63.64 C ATOM 844 CE1 TYR A 195 -10.731 -20.274 36.610 1.00 69.60 C ATOM 845 CE2 TYR A 195 -12.291 -18.468 36.286 1.00 59.88 C ATOM 846 CZ TYR A 195 -11.840 -19.750 35.972 1.00 64.88 C ATOM 847 OH TYR A 195 -12.475 -20.531 35.026 1.00 59.21 O ATOM 848 HH TYR A 195 -12.459 -20.067 34.152 1.00 0.00 H ATOM 849 H TYR A 195 -10.559 -18.651 40.982 1.00 0.00 H ATOM 850 N GLY A 196 -7.457 -17.137 41.358 1.00 54.95 N ATOM 851 CA GLY A 196 -6.295 -16.402 41.811 1.00 49.03 C ATOM 852 C GLY A 196 -5.028 -17.170 41.546 1.00 47.63 C ATOM 853 O GLY A 196 -4.985 -18.378 41.786 1.00 51.28 O ATOM 854 H GLY A 196 -8.245 -17.289 42.020 1.00 0.00 H ATOM 855 N GLY A 197 -4.035 -16.511 40.957 1.00 41.83 N ATOM 856 CA GLY A 197 -2.748 -17.122 40.710 1.00 42.79 C ATOM 857 C GLY A 197 -2.606 -17.966 39.463 1.00 39.56 C ATOM 858 O GLY A 197 -1.476 -18.195 39.038 1.00 36.71 O ATOM 859 H GLY A 197 -4.189 -15.525 40.665 1.00 0.00 H ATOM 860 N ASP A 198 -3.708 -18.419 38.848 1.00 45.36 N ATOM 861 CA ASP A 198 -3.689 -19.324 37.688 1.00 44.30 C ATOM 862 C ASP A 198 -3.088 -18.661 36.441 1.00 40.13 C ATOM 863 O ASP A 198 -3.120 -17.440 36.282 1.00 41.44 O ATOM 864 CB ASP A 198 -5.099 -19.789 37.316 1.00 46.49 C ATOM 865 CG ASP A 198 -5.768 -20.614 38.385 1.00 49.65 C ATOM 866 OD1 ASP A 198 -5.143 -20.868 39.427 1.00 53.75 O ATOM 867 OD2 ASP A 198 -6.926 -21.032 38.165 1.00 50.49 O ATOM 868 H ASP A 198 -4.632 -18.112 39.213 1.00 0.00 H ATOM 869 N ALA A 199 -2.602 -19.494 35.512 1.00 36.58 N ATOM 870 CA ALA A 199 -1.962 -19.032 34.280 1.00 35.20 C ATOM 871 C ALA A 199 -2.539 -19.742 33.057 1.00 36.14 C ATOM 872 O ALA A 199 -2.687 -20.966 33.052 1.00 39.91 O ATOM 873 CB ALA A 199 -0.449 -19.246 34.347 1.00 33.87 C ATOM 874 H ALA A 199 -2.683 -20.518 35.674 1.00 0.00 H ATOM 875 N HIS A 200 -2.882 -18.971 32.028 1.00 31.09 N ATOM 876 CA HIS A 200 -3.472 -19.500 30.808 1.00 35.82 C ATOM 877 C HIS A 200 -2.624 -19.148 29.598 1.00 38.93 C ATOM 878 O HIS A 200 -2.216 -17.998 29.436 1.00 44.11 O ATOM 879 CB HIS A 200 -4.869 -18.960 30.588 1.00 39.99 C ATOM 880 CG HIS A 200 -5.842 -19.370 31.635 1.00 36.64 C ATOM 881 ND1 HIS A 200 -7.080 -18.782 31.768 1.00 37.32 N ATOM 882 CD2 HIS A 200 -5.749 -20.289 32.618 1.00 33.82 C ATOM 883 CE1 HIS A 200 -7.725 -19.346 32.767 1.00 37.68 C ATOM 884 NE2 HIS A 200 -6.934 -20.255 33.307 1.00 43.52 N ATOM 885 H HIS A 200 -2.721 -17.946 32.099 1.00 0.00 H ATOM 886 N PHE A 201 -2.377 -20.114 28.733 1.00 36.62 N ATOM 887 CA PHE A 201 -1.552 -19.876 27.561 1.00 38.56 C ATOM 888 C PHE A 201 -2.406 -20.157 26.325 1.00 42.95 C ATOM 889 O PHE A 201 -3.120 -21.166 26.291 1.00 42.29 O ATOM 890 CB PHE A 201 -0.286 -20.750 27.612 1.00 36.03 C ATOM 891 CG PHE A 201 0.604 -20.515 28.843 1.00 35.66 C ATOM 892 CD1 PHE A 201 0.133 -20.736 30.141 1.00 38.74 C ATOM 893 CD2 PHE A 201 1.911 -20.076 28.704 1.00 35.95 C ATOM 894 CE1 PHE A 201 0.953 -20.533 31.269 1.00 30.52 C ATOM 895 CE2 PHE A 201 2.727 -19.869 29.819 1.00 36.22 C ATOM 896 CZ PHE A 201 2.241 -20.106 31.103 1.00 31.09 C ATOM 897 H PHE A 201 -2.779 -21.060 28.893 1.00 0.00 H ATOM 898 N ASP A 202 -2.382 -19.244 25.338 1.00 44.22 N ATOM 899 CA ASP A 202 -3.192 -19.371 24.115 1.00 43.12 C ATOM 900 C ASP A 202 -2.606 -20.444 23.200 1.00 39.84 C ATOM 901 O ASP A 202 -1.482 -20.304 22.717 1.00 38.82 O ATOM 902 CB ASP A 202 -3.252 -18.038 23.370 1.00 43.10 C ATOM 903 CG ASP A 202 -4.213 -18.049 22.168 1.00 46.30 C ATOM 904 OD1 ASP A 202 -4.800 -19.094 21.807 1.00 45.49 O ATOM 905 OD2 ASP A 202 -4.379 -16.966 21.576 1.00 46.26 O ATOM 906 H ASP A 202 -1.765 -18.413 25.443 1.00 0.00 H ATOM 907 N ASP A 203 -3.370 -21.487 22.924 1.00 37.73 N ATOM 908 CA ASP A 203 -2.801 -22.633 22.238 1.00 43.28 C ATOM 909 C ASP A 203 -2.980 -22.565 20.721 1.00 47.65 C ATOM 910 O ASP A 203 -2.671 -23.535 20.003 1.00 44.89 O ATOM 911 CB ASP A 203 -3.403 -23.913 22.801 1.00 45.39 C ATOM 912 CG ASP A 203 -2.459 -25.090 22.687 1.00 54.64 C ATOM 913 OD1 ASP A 203 -1.346 -24.925 22.104 1.00 54.91 O ATOM 914 OD2 ASP A 203 -2.840 -26.181 23.172 1.00 55.80 O ATOM 915 H ASP A 203 -4.374 -21.487 23.197 1.00 0.00 H ATOM 916 N ASP A 204 -3.487 -21.443 20.229 1.00 46.26 N ATOM 917 CA ASP A 204 -3.381 -21.077 18.832 1.00 39.11 C ATOM 918 C ASP A 204 -2.059 -20.392 18.523 1.00 40.99 C ATOM 919 O ASP A 204 -1.813 -20.036 17.369 1.00 45.30 O ATOM 920 CB ASP A 204 -4.553 -20.186 18.467 1.00 40.73 C ATOM 921 CG ASP A 204 -5.846 -20.967 18.320 1.00 42.07 C ATOM 922 OD1 ASP A 204 -5.808 -22.122 17.850 1.00 39.87 O ATOM 923 OD2 ASP A 204 -6.910 -20.425 18.687 1.00 45.39 O ATOM 924 H ASP A 204 -3.983 -20.797 20.875 1.00 0.00 H ATOM 925 N GLU A 205 -1.238 -20.144 19.537 1.00 43.71 N ATOM 926 CA GLU A 205 0.138 -19.723 19.349 1.00 42.16 C ATOM 927 C GLU A 205 1.025 -20.925 19.098 1.00 38.22 C ATOM 928 O GLU A 205 0.588 -22.073 19.124 1.00 43.31 O ATOM 929 CB GLU A 205 0.632 -18.943 20.559 1.00 43.81 C ATOM 930 CG GLU A 205 -0.203 -17.716 20.800 1.00 47.23 C ATOM 931 CD GLU A 205 -0.272 -16.859 19.555 1.00 50.79 C ATOM 932 OE1 GLU A 205 0.769 -16.776 18.846 1.00 50.16 O ATOM 933 OE2 GLU A 205 -1.374 -16.318 19.271 1.00 49.61 O ATOM 934 H GLU A 205 -1.596 -20.256 20.507 1.00 0.00 H ATOM 935 N THR A 206 2.288 -20.652 18.862 1.00 37.17 N ATOM 936 CA THR A 206 3.290 -21.690 18.681 1.00 40.27 C ATOM 937 C THR A 206 4.280 -21.584 19.829 1.00 39.67 C ATOM 938 O THR A 206 5.032 -20.606 19.926 1.00 39.17 O ATOM 939 CB THR A 206 3.973 -21.557 17.321 1.00 39.65 C ATOM 940 OG1 THR A 206 3.025 -21.849 16.292 1.00 41.79 O ATOM 941 CG2 THR A 206 5.182 -22.475 17.196 1.00 37.96 C ATOM 942 HG1 THR A 206 3.463 -21.764 15.408 1.00 0.00 H ATOM 943 H THR A 206 2.582 -19.656 18.802 1.00 0.00 H ATOM 944 N TRP A 207 4.287 -22.604 20.680 1.00 39.80 N ATOM 945 CA TRP A 207 5.138 -22.648 21.857 1.00 40.34 C ATOM 946 C TRP A 207 6.361 -23.491 21.552 1.00 43.07 C ATOM 947 O TRP A 207 6.258 -24.541 20.907 1.00 44.93 O ATOM 948 CB TRP A 207 4.380 -23.190 23.066 1.00 39.40 C ATOM 949 CG TRP A 207 3.182 -22.371 23.372 1.00 40.16 C ATOM 950 CD1 TRP A 207 1.891 -22.651 23.073 1.00 43.24 C ATOM 951 CD2 TRP A 207 3.186 -21.074 23.960 1.00 35.36 C ATOM 952 NE1 TRP A 207 1.080 -21.627 23.483 1.00 40.97 N ATOM 953 CE2 TRP A 207 1.858 -20.644 24.026 1.00 35.84 C ATOM 954 CE3 TRP A 207 4.191 -20.246 24.453 1.00 34.68 C ATOM 955 CZ2 TRP A 207 1.505 -19.431 24.563 1.00 38.31 C ATOM 956 CZ3 TRP A 207 3.847 -19.056 24.979 1.00 37.72 C ATOM 957 CH2 TRP A 207 2.512 -18.647 25.033 1.00 41.12 C ATOM 958 HE1 TRP A 207 0.044 -21.602 23.396 1.00 0.00 H ATOM 959 H TRP A 207 3.654 -23.408 20.495 1.00 0.00 H ATOM 960 N THR A 208 7.527 -22.972 21.914 1.00 40.14 N ATOM 961 CA THR A 208 8.780 -23.628 21.613 1.00 40.38 C ATOM 962 C THR A 208 9.724 -23.487 22.788 1.00 45.99 C ATOM 963 O THR A 208 9.524 -22.663 23.680 1.00 49.64 O ATOM 964 CB THR A 208 9.478 -23.030 20.394 1.00 45.53 C ATOM 965 OG1 THR A 208 10.108 -21.803 20.782 1.00 44.98 O ATOM 966 CG2 THR A 208 8.499 -22.775 19.250 1.00 45.87 C ATOM 967 HG1 THR A 208 10.564 -21.406 19.999 1.00 0.00 H ATOM 968 H THR A 208 7.540 -22.068 22.429 1.00 0.00 H ATOM 969 N SER A 209 10.760 -24.312 22.771 1.00 47.33 N ATOM 970 CA SER A 209 11.915 -24.151 23.638 1.00 49.40 C ATOM 971 C SER A 209 13.100 -23.494 22.919 1.00 50.89 C ATOM 972 O SER A 209 14.220 -23.523 23.439 1.00 52.90 O ATOM 973 CB SER A 209 12.288 -25.498 24.271 1.00 50.46 C ATOM 974 OG SER A 209 12.372 -26.549 23.330 1.00 52.27 O ATOM 975 HG SER A 209 12.615 -27.388 23.795 1.00 0.00 H ATOM 976 H SER A 209 10.746 -25.112 22.107 1.00 0.00 H ATOM 977 N SER A 210 12.892 -22.964 21.708 1.00 50.93 N ATOM 978 CA SER A 210 13.974 -22.378 20.918 1.00 49.62 C ATOM 979 C SER A 210 13.800 -20.899 20.576 1.00 44.82 C ATOM 980 O SER A 210 13.255 -20.126 21.362 1.00 45.78 O ATOM 981 CB SER A 210 14.155 -23.181 19.622 1.00 54.47 C ATOM 982 OG SER A 210 13.007 -23.128 18.776 1.00 54.74 O ATOM 983 HG SER A 210 13.176 -23.660 17.958 1.00 0.00 H ATOM 984 H SER A 210 11.929 -22.969 21.316 1.00 0.00 H ATOM 985 N SER A 211 14.243 -20.522 19.371 1.00 48.93 N ATOM 986 CA SER A 211 14.241 -19.152 18.862 1.00 48.24 C ATOM 987 C SER A 211 12.922 -18.846 18.178 1.00 45.57 C ATOM 988 O SER A 211 12.530 -17.680 18.083 1.00 43.28 O ATOM 989 CB SER A 211 15.384 -18.946 17.821 1.00 48.69 C ATOM 990 OG SER A 211 16.623 -19.660 18.075 1.00 49.15 O ATOM 991 HG SER A 211 17.273 -19.457 17.356 1.00 0.00 H ATOM 992 H SER A 211 14.619 -21.264 18.746 1.00 0.00 H ATOM 993 N LYS A 212 12.227 -19.899 17.758 1.00 49.12 N ATOM 994 CA LYS A 212 10.998 -19.880 16.981 1.00 44.96 C ATOM 995 C LYS A 212 9.807 -19.587 17.873 1.00 41.69 C ATOM 996 O LYS A 212 9.756 -20.010 19.023 1.00 48.65 O ATOM 997 CB LYS A 212 10.818 -21.242 16.298 1.00 43.81 C ATOM 998 CG LYS A 212 9.608 -21.403 15.403 1.00 46.46 C ATOM 999 CD LYS A 212 9.362 -22.882 15.032 1.00 54.20 C ATOM 1000 CE LYS A 212 10.343 -23.420 13.968 1.00 58.77 C ATOM 1001 NZ LYS A 212 10.071 -22.886 12.582 1.00 56.62 N ATOM 1002 HZ1 LYS A 212 9.111 -23.157 12.290 1.00 0.00 H ATOM 1003 HZ2 LYS A 212 10.153 -21.849 12.589 1.00 0.00 H ATOM 1004 HZ3 LYS A 212 10.763 -23.285 11.916 1.00 0.00 H ATOM 1005 H LYS A 212 12.602 -20.835 18.012 1.00 0.00 H ATOM 1006 N GLY A 213 8.841 -18.866 17.332 1.00 39.53 N ATOM 1007 CA GLY A 213 7.596 -18.610 18.034 1.00 42.49 C ATOM 1008 C GLY A 213 7.774 -17.966 19.400 1.00 39.97 C ATOM 1009 O GLY A 213 8.675 -17.140 19.630 1.00 39.95 O ATOM 1010 H GLY A 213 8.976 -18.472 16.379 1.00 0.00 H ATOM 1011 N TYR A 214 6.900 -18.341 20.328 1.00 34.93 N ATOM 1012 CA TYR A 214 7.046 -17.892 21.702 1.00 41.42 C ATOM 1013 C TYR A 214 7.753 -18.953 22.538 1.00 41.08 C ATOM 1014 O TYR A 214 7.309 -20.102 22.605 1.00 43.14 O ATOM 1015 CB TYR A 214 5.695 -17.543 22.315 1.00 40.85 C ATOM 1016 CG TYR A 214 5.073 -16.368 21.640 1.00 44.20 C ATOM 1017 CD1 TYR A 214 5.611 -15.103 21.783 1.00 43.37 C ATOM 1018 CD2 TYR A 214 3.921 -16.511 20.881 1.00 48.17 C ATOM 1019 CE1 TYR A 214 5.049 -14.020 21.154 1.00 42.17 C ATOM 1020 CE2 TYR A 214 3.342 -15.427 20.256 1.00 44.76 C ATOM 1021 CZ TYR A 214 3.909 -14.186 20.404 1.00 42.18 C ATOM 1022 OH TYR A 214 3.337 -13.107 19.794 1.00 48.15 O ATOM 1023 HH TYR A 214 3.865 -12.295 20.000 1.00 0.00 H ATOM 1024 H TYR A 214 6.106 -18.960 20.069 1.00 0.00 H ATOM 1025 N ASN A 215 8.836 -18.565 23.187 1.00 38.56 N ATOM 1026 CA ASN A 215 9.570 -19.482 24.043 1.00 43.63 C ATOM 1027 C ASN A 215 8.792 -19.698 25.353 1.00 46.27 C ATOM 1028 O ASN A 215 8.668 -18.781 26.179 1.00 43.19 O ATOM 1029 CB ASN A 215 10.974 -18.918 24.239 1.00 44.40 C ATOM 1030 CG ASN A 215 11.825 -19.747 25.146 1.00 48.52 C ATOM 1031 OD1 ASN A 215 11.395 -20.193 26.199 1.00 50.59 O ATOM 1032 ND2 ASN A 215 13.034 -20.018 24.705 1.00 52.14 N ATOM 1033 HD22 ASN A 215 13.360 -19.617 23.803 1.00 0.00 H ATOM 1034 HD21 ASN A 215 13.664 -20.633 25.259 1.00 0.00 H ATOM 1035 H ASN A 215 9.170 -17.585 23.084 1.00 0.00 H ATOM 1036 N LEU A 216 8.323 -20.936 25.567 1.00 41.73 N ATOM 1037 CA LEU A 216 7.362 -21.191 26.637 1.00 42.45 C ATOM 1038 C LEU A 216 7.938 -20.869 28.013 1.00 45.59 C ATOM 1039 O LEU A 216 7.222 -20.350 28.881 1.00 45.86 O ATOM 1040 CB LEU A 216 6.880 -22.637 26.583 1.00 38.49 C ATOM 1041 CG LEU A 216 5.899 -23.016 27.691 1.00 34.62 C ATOM 1042 CD1 LEU A 216 4.635 -22.197 27.638 1.00 31.96 C ATOM 1043 CD2 LEU A 216 5.539 -24.466 27.570 1.00 38.70 C ATOM 1044 H LEU A 216 8.646 -21.721 24.966 1.00 0.00 H ATOM 1045 N PHE A 217 9.222 -21.159 28.232 1.00 44.13 N ATOM 1046 CA PHE A 217 9.877 -20.802 29.492 1.00 44.72 C ATOM 1047 C PHE A 217 9.800 -19.303 29.781 1.00 45.55 C ATOM 1048 O PHE A 217 9.313 -18.884 30.839 1.00 39.56 O ATOM 1049 CB PHE A 217 11.330 -21.253 29.446 1.00 47.23 C ATOM 1050 CG PHE A 217 12.232 -20.482 30.360 1.00 44.66 C ATOM 1051 CD1 PHE A 217 12.134 -20.602 31.723 1.00 42.22 C ATOM 1052 CD2 PHE A 217 13.181 -19.626 29.834 1.00 46.73 C ATOM 1053 CE1 PHE A 217 12.967 -19.893 32.536 1.00 43.52 C ATOM 1054 CE2 PHE A 217 14.012 -18.914 30.644 1.00 45.95 C ATOM 1055 CZ PHE A 217 13.907 -19.044 31.992 1.00 46.54 C ATOM 1056 H PHE A 217 9.768 -21.648 27.494 1.00 0.00 H ATOM 1057 N LEU A 218 10.285 -18.475 28.843 1.00 48.67 N ATOM 1058 CA LEU A 218 10.306 -17.027 29.057 1.00 47.42 C ATOM 1059 C LEU A 218 8.911 -16.495 29.350 1.00 43.63 C ATOM 1060 O LEU A 218 8.725 -15.662 30.243 1.00 40.45 O ATOM 1061 CB LEU A 218 10.895 -16.313 27.843 1.00 45.22 C ATOM 1062 CG LEU A 218 12.391 -16.290 27.600 1.00 46.64 C ATOM 1063 CD1 LEU A 218 12.617 -15.500 26.345 1.00 52.59 C ATOM 1064 CD2 LEU A 218 13.063 -15.589 28.735 1.00 46.20 C ATOM 1065 H LEU A 218 10.651 -18.867 27.952 1.00 0.00 H ATOM 1066 N VAL A 219 7.932 -16.907 28.552 1.00 41.57 N ATOM 1067 CA VAL A 219 6.575 -16.428 28.748 1.00 40.23 C ATOM 1068 C VAL A 219 6.020 -16.923 30.081 1.00 40.91 C ATOM 1069 O VAL A 219 5.227 -16.231 30.731 1.00 41.61 O ATOM 1070 CB VAL A 219 5.697 -16.849 27.562 1.00 39.75 C ATOM 1071 CG1 VAL A 219 4.298 -16.326 27.734 1.00 38.96 C ATOM 1072 CG2 VAL A 219 6.298 -16.342 26.287 1.00 42.49 C ATOM 1073 H VAL A 219 8.138 -17.576 27.783 1.00 0.00 H ATOM 1074 N ALA A 220 6.385 -18.141 30.496 1.00 38.17 N ATOM 1075 CA ALA A 220 5.920 -18.626 31.796 1.00 39.23 C ATOM 1076 C ALA A 220 6.539 -17.830 32.945 1.00 40.65 C ATOM 1077 O ALA A 220 5.845 -17.461 33.899 1.00 38.80 O ATOM 1078 CB ALA A 220 6.207 -20.111 31.947 1.00 40.24 C ATOM 1079 H ALA A 220 6.994 -18.738 29.900 1.00 0.00 H ATOM 1080 N ALA A 221 7.855 -17.607 32.903 1.00 42.55 N ATOM 1081 CA ALA A 221 8.492 -16.770 33.913 1.00 40.08 C ATOM 1082 C ALA A 221 7.797 -15.417 34.018 1.00 42.62 C ATOM 1083 O ALA A 221 7.512 -14.932 35.119 1.00 44.63 O ATOM 1084 CB ALA A 221 9.970 -16.602 33.594 1.00 37.40 C ATOM 1085 H ALA A 221 8.428 -18.032 32.147 1.00 0.00 H ATOM 1086 N HIS A 222 7.529 -14.784 32.875 1.00 43.64 N ATOM 1087 CA HIS A 222 6.763 -13.540 32.864 1.00 40.75 C ATOM 1088 C HIS A 222 5.411 -13.752 33.530 1.00 35.96 C ATOM 1089 O HIS A 222 5.065 -13.089 34.507 1.00 37.91 O ATOM 1090 CB HIS A 222 6.564 -13.054 31.424 1.00 42.91 C ATOM 1091 CG HIS A 222 5.798 -11.775 31.315 1.00 40.31 C ATOM 1092 ND1 HIS A 222 6.409 -10.545 31.362 1.00 42.35 N ATOM 1093 CD2 HIS A 222 4.465 -11.530 31.300 1.00 39.85 C ATOM 1094 CE1 HIS A 222 5.490 -9.598 31.298 1.00 44.85 C ATOM 1095 NE2 HIS A 222 4.300 -10.169 31.272 1.00 39.42 N ATOM 1096 H HIS A 222 7.871 -15.182 31.977 1.00 0.00 H ATOM 1097 N GLU A 223 4.641 -14.706 33.028 1.00 35.06 N ATOM 1098 CA GLU A 223 3.281 -14.866 33.514 1.00 36.72 C ATOM 1099 C GLU A 223 3.254 -15.260 34.984 1.00 38.45 C ATOM 1100 O GLU A 223 2.361 -14.832 35.723 1.00 37.68 O ATOM 1101 CB GLU A 223 2.539 -15.884 32.658 1.00 34.74 C ATOM 1102 CG GLU A 223 2.253 -15.386 31.267 1.00 39.07 C ATOM 1103 CD GLU A 223 1.381 -14.141 31.274 1.00 42.68 C ATOM 1104 OE1 GLU A 223 0.501 -14.062 32.163 1.00 38.66 O ATOM 1105 OE2 GLU A 223 1.562 -13.254 30.394 1.00 44.09 O ATOM 1106 H GLU A 223 5.009 -15.338 32.289 1.00 0.00 H ATOM 1107 N PHE A 224 4.223 -16.072 35.432 1.00 41.26 N ATOM 1108 CA PHE A 224 4.293 -16.430 36.854 1.00 41.67 C ATOM 1109 C PHE A 224 4.628 -15.228 37.737 1.00 44.36 C ATOM 1110 O PHE A 224 4.158 -15.164 38.882 1.00 40.29 O ATOM 1111 CB PHE A 224 5.289 -17.568 37.081 1.00 36.44 C ATOM 1112 CG PHE A 224 4.859 -18.875 36.484 1.00 36.42 C ATOM 1113 CD1 PHE A 224 3.522 -19.135 36.253 1.00 34.31 C ATOM 1114 CD2 PHE A 224 5.795 -19.828 36.115 1.00 38.44 C ATOM 1115 CE1 PHE A 224 3.128 -20.329 35.693 1.00 32.47 C ATOM 1116 CE2 PHE A 224 5.405 -21.019 35.548 1.00 35.28 C ATOM 1117 CZ PHE A 224 4.076 -21.266 35.339 1.00 33.39 C ATOM 1118 H PHE A 224 4.929 -16.450 34.768 1.00 0.00 H ATOM 1119 N GLY A 225 5.413 -14.266 37.230 1.00 43.89 N ATOM 1120 CA GLY A 225 5.570 -13.009 37.945 1.00 43.02 C ATOM 1121 C GLY A 225 4.237 -12.364 38.286 1.00 44.47 C ATOM 1122 O GLY A 225 4.019 -11.921 39.417 1.00 43.13 O ATOM 1123 H GLY A 225 5.908 -14.418 36.328 1.00 0.00 H ATOM 1124 N HIS A 226 3.302 -12.354 37.333 1.00 42.70 N ATOM 1125 CA HIS A 226 1.965 -11.846 37.615 1.00 41.15 C ATOM 1126 C HIS A 226 1.264 -12.709 38.661 1.00 42.77 C ATOM 1127 O HIS A 226 0.509 -12.198 39.500 1.00 42.98 O ATOM 1128 CB HIS A 226 1.120 -11.804 36.333 1.00 42.89 C ATOM 1129 CG HIS A 226 1.628 -10.874 35.264 1.00 40.27 C ATOM 1130 ND1 HIS A 226 1.688 -9.512 35.424 1.00 42.48 N ATOM 1131 CD2 HIS A 226 2.008 -11.113 33.985 1.00 39.23 C ATOM 1132 CE1 HIS A 226 2.135 -8.957 34.313 1.00 42.34 C ATOM 1133 NE2 HIS A 226 2.336 -9.906 33.422 1.00 36.01 N ATOM 1134 H HIS A 226 3.529 -12.711 36.383 1.00 0.00 H ATOM 1135 N SER A 227 1.477 -14.026 38.603 1.00 42.14 N ATOM 1136 CA SER A 227 0.844 -14.941 39.546 1.00 41.70 C ATOM 1137 C SER A 227 1.264 -14.670 40.975 1.00 47.17 C ATOM 1138 O SER A 227 0.516 -14.980 41.911 1.00 47.85 O ATOM 1139 CB SER A 227 1.194 -16.383 39.206 1.00 38.27 C ATOM 1140 OG SER A 227 0.717 -16.748 37.938 1.00 39.36 O ATOM 1141 HG SER A 227 -0.268 -16.653 37.917 1.00 0.00 H ATOM 1142 H SER A 227 2.108 -14.407 37.870 1.00 0.00 H ATOM 1143 N LEU A 228 2.457 -14.128 41.173 1.00 46.89 N ATOM 1144 CA LEU A 228 2.959 -13.870 42.511 1.00 43.02 C ATOM 1145 C LEU A 228 2.643 -12.460 42.992 1.00 44.32 C ATOM 1146 O LEU A 228 2.873 -12.155 44.164 1.00 43.32 O ATOM 1147 CB LEU A 228 4.462 -14.118 42.531 1.00 41.25 C ATOM 1148 CG LEU A 228 4.821 -15.551 42.119 1.00 42.51 C ATOM 1149 CD1 LEU A 228 6.356 -15.741 41.981 1.00 40.57 C ATOM 1150 CD2 LEU A 228 4.169 -16.599 43.056 1.00 36.78 C ATOM 1151 H LEU A 228 3.047 -13.882 40.352 1.00 0.00 H ATOM 1152 N GLY A 229 2.074 -11.614 42.137 1.00 47.22 N ATOM 1153 CA GLY A 229 1.703 -10.269 42.506 1.00 45.86 C ATOM 1154 C GLY A 229 2.516 -9.158 41.868 1.00 47.61 C ATOM 1155 O GLY A 229 2.398 -8.007 42.305 1.00 53.28 O ATOM 1156 H GLY A 229 1.889 -11.934 41.165 1.00 0.00 H ATOM 1157 N LEU A 230 3.325 -9.451 40.852 1.00 42.75 N ATOM 1158 CA LEU A 230 4.044 -8.404 40.140 1.00 48.80 C ATOM 1159 C LEU A 230 3.227 -7.816 38.993 1.00 54.26 C ATOM 1160 O LEU A 230 2.451 -8.505 38.323 1.00 51.58 O ATOM 1161 CB LEU A 230 5.359 -8.913 39.568 1.00 45.86 C ATOM 1162 CG LEU A 230 6.439 -9.292 40.539 1.00 46.14 C ATOM 1163 CD1 LEU A 230 7.643 -9.676 39.728 1.00 48.98 C ATOM 1164 CD2 LEU A 230 6.732 -8.094 41.389 1.00 48.08 C ATOM 1165 H LEU A 230 3.445 -10.443 40.563 1.00 0.00 H ATOM 1166 N ASP A 231 3.409 -6.515 38.784 1.00 57.36 N ATOM 1167 CA ASP A 231 2.848 -5.804 37.650 1.00 57.14 C ATOM 1168 C ASP A 231 3.933 -5.663 36.584 1.00 58.26 C ATOM 1169 O ASP A 231 5.097 -6.020 36.795 1.00 58.97 O ATOM 1170 CB ASP A 231 2.299 -4.448 38.098 1.00 60.80 C ATOM 1171 CG ASP A 231 1.335 -3.841 37.096 1.00 64.30 C ATOM 1172 OD1 ASP A 231 1.398 -4.209 35.899 1.00 66.22 O ATOM 1173 OD2 ASP A 231 0.496 -3.011 37.515 1.00 64.50 O ATOM 1174 H ASP A 231 3.982 -5.980 39.468 1.00 0.00 H ATOM 1175 N HIS A 232 3.566 -5.061 35.455 1.00 56.30 N ATOM 1176 CA HIS A 232 4.499 -4.896 34.349 1.00 52.43 C ATOM 1177 C HIS A 232 5.522 -3.813 34.651 1.00 54.88 C ATOM 1178 O HIS A 232 5.271 -2.883 35.421 1.00 59.24 O ATOM 1179 CB HIS A 232 3.744 -4.605 33.047 1.00 50.77 C ATOM 1180 CG HIS A 232 3.136 -5.821 32.408 1.00 52.68 C ATOM 1181 ND1 HIS A 232 1.947 -5.787 31.712 1.00 55.28 N ATOM 1182 CD2 HIS A 232 3.602 -7.090 32.288 1.00 50.08 C ATOM 1183 CE1 HIS A 232 1.676 -6.997 31.250 1.00 51.34 C ATOM 1184 NE2 HIS A 232 2.668 -7.803 31.579 1.00 44.38 N ATOM 1185 H HIS A 232 2.595 -4.702 35.361 1.00 0.00 H ATOM 1186 N SER A 233 6.697 -3.960 34.052 1.00 53.56 N ATOM 1187 CA SER A 233 7.835 -3.084 34.288 1.00 57.30 C ATOM 1188 C SER A 233 7.971 -2.006 33.221 1.00 58.87 C ATOM 1189 O SER A 233 7.490 -2.134 32.089 1.00 61.38 O ATOM 1190 CB SER A 233 9.131 -3.886 34.341 1.00 58.76 C ATOM 1191 OG SER A 233 10.232 -3.006 34.441 1.00 57.83 O ATOM 1192 HG SER A 233 11.071 -3.531 34.475 1.00 0.00 H ATOM 1193 H SER A 233 6.811 -4.743 33.378 1.00 0.00 H ATOM 1194 N LYS A 234 8.612 -0.911 33.614 1.00 57.66 N ATOM 1195 CA LYS A 234 8.897 0.157 32.673 1.00 60.84 C ATOM 1196 C LYS A 234 10.262 -0.019 32.017 1.00 60.73 C ATOM 1197 O LYS A 234 10.564 0.673 31.037 1.00 58.22 O ATOM 1198 CB LYS A 234 8.851 1.508 33.402 1.00 66.62 C ATOM 1199 CG LYS A 234 7.482 1.924 33.958 1.00 63.81 C ATOM 1200 CD LYS A 234 6.319 1.585 33.058 1.00 64.39 C ATOM 1201 CE LYS A 234 5.008 1.922 33.755 1.00 67.64 C ATOM 1202 NZ LYS A 234 4.965 3.356 34.188 1.00 65.96 N ATOM 1203 HZ1 LYS A 234 5.746 3.541 34.850 1.00 0.00 H ATOM 1204 HZ2 LYS A 234 5.062 3.971 33.355 1.00 0.00 H ATOM 1205 HZ3 LYS A 234 4.058 3.548 34.658 1.00 0.00 H ATOM 1206 H LYS A 234 8.913 -0.818 34.605 1.00 0.00 H ATOM 1207 N ASP A 235 11.077 -0.951 32.522 1.00 58.35 N ATOM 1208 CA ASP A 235 12.412 -1.199 32.000 1.00 57.26 C ATOM 1209 C ASP A 235 12.360 -2.191 30.841 1.00 59.83 C ATOM 1210 O ASP A 235 12.058 -3.369 31.083 1.00 59.97 O ATOM 1211 CB ASP A 235 13.319 -1.730 33.096 1.00 57.67 C ATOM 1212 CG ASP A 235 14.740 -1.963 32.620 1.00 60.78 C ATOM 1213 OD1 ASP A 235 15.092 -1.475 31.535 1.00 66.63 O ATOM 1214 OD2 ASP A 235 15.526 -2.619 33.327 1.00 64.46 O ATOM 1215 H ASP A 235 10.742 -1.524 33.323 1.00 0.00 H ATOM 1216 N PRO A 236 12.685 -1.787 29.612 1.00 61.38 N ATOM 1217 CA PRO A 236 12.625 -2.738 28.480 1.00 64.95 C ATOM 1218 C PRO A 236 13.514 -3.972 28.658 1.00 66.77 C ATOM 1219 O PRO A 236 13.334 -4.960 27.929 1.00 64.18 O ATOM 1220 CB PRO A 236 13.092 -1.892 27.291 1.00 57.64 C ATOM 1221 CG PRO A 236 13.900 -0.802 27.915 1.00 58.24 C ATOM 1222 CD PRO A 236 13.191 -0.476 29.189 1.00 56.59 C ATOM 1223 N GLY A 237 14.477 -3.937 29.584 1.00 61.67 N ATOM 1224 CA GLY A 237 15.347 -5.053 29.873 1.00 54.49 C ATOM 1225 C GLY A 237 14.873 -5.972 30.970 1.00 55.91 C ATOM 1226 O GLY A 237 15.555 -6.955 31.270 1.00 59.65 O ATOM 1227 H GLY A 237 14.607 -3.059 30.126 1.00 0.00 H ATOM 1228 N ALA A 238 13.747 -5.664 31.605 1.00 53.57 N ATOM 1229 CA ALA A 238 13.167 -6.521 32.627 1.00 55.65 C ATOM 1230 C ALA A 238 12.473 -7.729 32.000 1.00 57.48 C ATOM 1231 O ALA A 238 12.136 -7.744 30.813 1.00 62.65 O ATOM 1232 CB ALA A 238 12.161 -5.752 33.480 1.00 58.07 C ATOM 1233 H ALA A 238 13.262 -4.777 31.362 1.00 0.00 H ATOM 1234 N LEU A 239 12.277 -8.763 32.813 1.00 55.58 N ATOM 1235 CA LEU A 239 11.435 -9.869 32.388 1.00 52.89 C ATOM 1236 C LEU A 239 9.967 -9.455 32.380 1.00 54.61 C ATOM 1237 O LEU A 239 9.192 -9.935 31.541 1.00 52.20 O ATOM 1238 CB LEU A 239 11.645 -11.061 33.319 1.00 51.56 C ATOM 1239 CG LEU A 239 10.888 -12.365 33.076 1.00 49.54 C ATOM 1240 CD1 LEU A 239 11.430 -13.049 31.845 1.00 47.52 C ATOM 1241 CD2 LEU A 239 10.903 -13.281 34.287 1.00 44.45 C ATOM 1242 H LEU A 239 12.725 -8.780 33.751 1.00 0.00 H ATOM 1243 N MET A 240 9.582 -8.542 33.283 1.00 51.51 N ATOM 1244 CA MET A 240 8.206 -8.071 33.448 1.00 53.25 C ATOM 1245 C MET A 240 7.825 -6.899 32.544 1.00 54.10 C ATOM 1246 O MET A 240 6.797 -6.257 32.788 1.00 51.74 O ATOM 1247 CB MET A 240 7.962 -7.685 34.907 1.00 55.88 C ATOM 1248 CG MET A 240 8.103 -8.855 35.830 1.00 56.26 C ATOM 1249 SD MET A 240 7.057 -10.200 35.267 1.00 43.87 S ATOM 1250 CE MET A 240 5.425 -9.531 35.538 1.00 42.90 C ATOM 1251 H MET A 240 10.310 -8.141 33.908 1.00 0.00 H ATOM 1252 N PHE A 241 8.624 -6.610 31.523 1.00 55.90 N ATOM 1253 CA PHE A 241 8.263 -5.633 30.504 1.00 50.16 C ATOM 1254 C PHE A 241 7.189 -6.211 29.579 1.00 49.13 C ATOM 1255 O PHE A 241 7.264 -7.382 29.203 1.00 50.41 O ATOM 1256 CB PHE A 241 9.520 -5.280 29.728 1.00 51.09 C ATOM 1257 CG PHE A 241 9.356 -4.165 28.780 1.00 57.83 C ATOM 1258 CD1 PHE A 241 9.157 -2.876 29.238 1.00 59.99 C ATOM 1259 CD2 PHE A 241 9.471 -4.387 27.414 1.00 56.50 C ATOM 1260 CE1 PHE A 241 9.030 -1.835 28.348 1.00 59.92 C ATOM 1261 CE2 PHE A 241 9.350 -3.353 26.521 1.00 53.54 C ATOM 1262 CZ PHE A 241 9.125 -2.077 26.985 1.00 57.59 C ATOM 1263 H PHE A 241 9.539 -7.098 31.448 1.00 0.00 H ATOM 1264 N PRO A 242 6.178 -5.422 29.196 1.00 52.58 N ATOM 1265 CA PRO A 242 5.013 -5.987 28.481 1.00 49.76 C ATOM 1266 C PRO A 242 5.268 -6.411 27.035 1.00 45.98 C ATOM 1267 O PRO A 242 4.311 -6.791 26.356 1.00 44.79 O ATOM 1268 CB PRO A 242 3.965 -4.862 28.559 1.00 44.02 C ATOM 1269 CG PRO A 242 4.733 -3.661 28.814 1.00 54.91 C ATOM 1270 CD PRO A 242 5.905 -4.057 29.662 1.00 56.14 C ATOM 1271 N ILE A 243 6.487 -6.320 26.511 1.00 46.19 N ATOM 1272 CA ILE A 243 6.781 -6.696 25.130 1.00 47.08 C ATOM 1273 C ILE A 243 7.709 -7.909 25.135 1.00 46.12 C ATOM 1274 O ILE A 243 8.797 -7.869 25.725 1.00 43.73 O ATOM 1275 CB ILE A 243 7.410 -5.519 24.355 1.00 45.42 C ATOM 1276 CG1 ILE A 243 6.447 -4.336 24.306 1.00 43.77 C ATOM 1277 CG2 ILE A 243 7.784 -5.920 22.939 1.00 38.68 C ATOM 1278 CD1 ILE A 243 7.068 -3.048 23.836 1.00 39.44 C ATOM 1279 H ILE A 243 7.262 -5.967 27.108 1.00 0.00 H ATOM 1280 N TYR A 244 7.304 -8.967 24.431 1.00 44.71 N ATOM 1281 CA TYR A 244 8.124 -10.166 24.324 1.00 46.81 C ATOM 1282 C TYR A 244 9.255 -9.917 23.332 1.00 48.44 C ATOM 1283 O TYR A 244 9.048 -9.311 22.278 1.00 51.08 O ATOM 1284 CB TYR A 244 7.306 -11.372 23.866 1.00 44.56 C ATOM 1285 CG TYR A 244 8.121 -12.641 23.582 1.00 44.90 C ATOM 1286 CD1 TYR A 244 8.380 -13.573 24.579 1.00 47.52 C ATOM 1287 CD2 TYR A 244 8.638 -12.896 22.331 1.00 42.76 C ATOM 1288 CE1 TYR A 244 9.115 -14.736 24.317 1.00 45.95 C ATOM 1289 CE2 TYR A 244 9.372 -14.045 22.065 1.00 45.38 C ATOM 1290 CZ TYR A 244 9.616 -14.962 23.051 1.00 47.33 C ATOM 1291 OH TYR A 244 10.353 -16.103 22.751 1.00 46.73 O ATOM 1292 HH TYR A 244 10.441 -16.661 23.564 1.00 0.00 H ATOM 1293 H TYR A 244 6.383 -8.935 23.948 1.00 0.00 H ATOM 1294 N THR A 245 10.461 -10.310 23.715 1.00 49.62 N ATOM 1295 CA THR A 245 11.616 -10.380 22.833 1.00 47.18 C ATOM 1296 C THR A 245 12.399 -11.616 23.219 1.00 50.78 C ATOM 1297 O THR A 245 12.205 -12.186 24.295 1.00 57.71 O ATOM 1298 CB THR A 245 12.505 -9.133 22.874 1.00 48.19 C ATOM 1299 OG1 THR A 245 12.885 -8.839 24.228 1.00 56.64 O ATOM 1300 CG2 THR A 245 11.821 -7.945 22.192 1.00 47.73 C ATOM 1301 HG1 THR A 245 13.458 -8.032 24.241 1.00 0.00 H ATOM 1302 H THR A 245 10.590 -10.586 24.709 1.00 0.00 H ATOM 1303 N TYR A 246 13.233 -12.083 22.307 1.00 47.79 N ATOM 1304 CA TYR A 246 14.033 -13.261 22.578 1.00 48.51 C ATOM 1305 C TYR A 246 15.475 -12.886 22.284 1.00 51.65 C ATOM 1306 O TYR A 246 15.822 -12.572 21.141 1.00 54.57 O ATOM 1307 CB TYR A 246 13.556 -14.445 21.738 1.00 43.69 C ATOM 1308 CG TYR A 246 14.327 -15.713 21.957 1.00 49.82 C ATOM 1309 CD1 TYR A 246 14.026 -16.558 23.013 1.00 48.15 C ATOM 1310 CD2 TYR A 246 15.377 -16.060 21.123 1.00 53.63 C ATOM 1311 CE1 TYR A 246 14.740 -17.718 23.218 1.00 47.18 C ATOM 1312 CE2 TYR A 246 16.097 -17.216 21.328 1.00 52.87 C ATOM 1313 CZ TYR A 246 15.773 -18.040 22.373 1.00 49.18 C ATOM 1314 OH TYR A 246 16.508 -19.182 22.559 1.00 52.06 O ATOM 1315 HH TYR A 246 16.160 -19.672 23.346 1.00 0.00 H ATOM 1316 H TYR A 246 13.316 -11.602 21.389 1.00 0.00 H ATOM 1317 N THR A 247 16.274 -12.824 23.341 1.00 51.69 N ATOM 1318 CA THR A 247 17.662 -12.405 23.274 1.00 54.63 C ATOM 1319 C THR A 247 18.686 -13.472 22.969 1.00 60.60 C ATOM 1320 O THR A 247 19.833 -13.164 22.671 1.00 57.45 O ATOM 1321 CB THR A 247 18.063 -11.757 24.601 1.00 58.42 C ATOM 1322 OG1 THR A 247 17.476 -12.489 25.672 1.00 61.03 O ATOM 1323 CG2 THR A 247 17.568 -10.343 24.657 1.00 54.05 C ATOM 1324 HG1 THR A 247 16.491 -12.476 25.578 1.00 0.00 H ATOM 1325 H THR A 247 15.885 -13.090 24.268 1.00 0.00 H ATOM 1326 N GLY A 248 18.289 -14.728 23.044 1.00 61.11 N ATOM 1327 CA GLY A 248 19.223 -15.794 22.769 1.00 64.94 C ATOM 1328 C GLY A 248 20.458 -15.737 23.643 1.00 71.67 C ATOM 1329 O GLY A 248 21.565 -15.961 23.172 1.00 72.55 O ATOM 1330 H GLY A 248 17.306 -14.950 23.301 1.00 0.00 H ATOM 1331 N LYS A 249 20.271 -15.430 24.919 1.00 70.71 N ATOM 1332 CA LYS A 249 21.383 -15.367 25.853 1.00 68.54 C ATOM 1333 C LYS A 249 21.901 -16.777 26.068 1.00 72.24 C ATOM 1334 O LYS A 249 21.147 -17.736 25.966 1.00 66.05 O ATOM 1335 CB LYS A 249 20.959 -14.730 27.172 1.00 80.11 C ATOM 1336 CG LYS A 249 21.525 -13.334 27.381 1.00 88.08 C ATOM 1337 CD LYS A 249 21.083 -12.730 28.704 1.00 90.23 C ATOM 1338 CE LYS A 249 21.012 -11.235 28.631 1.00 82.89 C ATOM 1339 NZ LYS A 249 19.866 -10.680 29.362 1.00 75.86 N ATOM 1340 HZ1 LYS A 249 18.984 -11.059 28.961 1.00 0.00 H ATOM 1341 HZ2 LYS A 249 19.935 -10.945 30.365 1.00 0.00 H ATOM 1342 HZ3 LYS A 249 19.870 -9.644 29.275 1.00 0.00 H ATOM 1343 H LYS A 249 19.309 -15.230 25.259 1.00 0.00 H ATOM 1344 N SER A 250 23.188 -16.905 26.365 1.00 81.57 N ATOM 1345 CA SER A 250 23.784 -18.216 26.552 1.00 81.83 C ATOM 1346 C SER A 250 23.093 -18.937 27.695 1.00 80.34 C ATOM 1347 O SER A 250 22.720 -20.096 27.573 1.00 76.01 O ATOM 1348 CB SER A 250 25.270 -18.043 26.867 1.00 87.28 C ATOM 1349 OG SER A 250 25.494 -16.882 27.634 1.00 70.42 O ATOM 1350 HG SER A 250 26.462 -16.795 27.823 1.00 0.00 H ATOM 1351 H SER A 250 23.778 -16.055 26.465 1.00 0.00 H ATOM 1352 N HIS A 251 22.894 -18.235 28.797 1.00 81.10 N ATOM 1353 CA HIS A 251 22.183 -18.790 29.930 1.00 76.06 C ATOM 1354 C HIS A 251 21.379 -17.652 30.490 1.00 71.59 C ATOM 1355 O HIS A 251 21.731 -16.495 30.323 1.00 67.53 O ATOM 1356 CB HIS A 251 23.077 -19.437 30.979 1.00 81.79 C ATOM 1357 CG HIS A 251 22.361 -20.403 31.845 1.00 98.99 C ATOM 1358 ND1 HIS A 251 21.102 -20.753 31.677 1.00 95.20 N ATOM 1359 CD2 HIS A 251 22.737 -21.094 32.888 1.00100.33 C ATOM 1360 CE1 HIS A 251 20.734 -21.619 32.579 1.00 86.32 C ATOM 1361 NE2 HIS A 251 21.709 -21.841 33.326 1.00 91.16 N ATOM 1362 H HIS A 251 23.256 -17.262 28.852 1.00 0.00 H ATOM 1363 N PHE A 252 20.288 -17.980 31.152 1.00 62.93 N ATOM 1364 CA PHE A 252 19.413 -16.955 31.656 1.00 52.46 C ATOM 1365 C PHE A 252 19.686 -16.477 33.062 1.00 52.84 C ATOM 1366 O PHE A 252 19.699 -17.255 34.003 1.00 64.16 O ATOM 1367 CB PHE A 252 17.968 -17.461 31.546 1.00 49.05 C ATOM 1368 CG PHE A 252 16.958 -16.615 32.260 1.00 46.76 C ATOM 1369 CD1 PHE A 252 16.223 -15.675 31.580 1.00 50.93 C ATOM 1370 CD2 PHE A 252 16.739 -16.775 33.607 1.00 51.35 C ATOM 1371 CE1 PHE A 252 15.293 -14.903 32.234 1.00 50.14 C ATOM 1372 CE2 PHE A 252 15.810 -16.009 34.266 1.00 48.01 C ATOM 1373 CZ PHE A 252 15.087 -15.070 33.578 1.00 48.48 C ATOM 1374 H PHE A 252 20.059 -18.982 31.311 1.00 0.00 H ATOM 1375 N MET A 253 19.886 -15.173 33.181 1.00 51.43 N ATOM 1376 CA MET A 253 20.041 -14.532 34.478 1.00 52.74 C ATOM 1377 C MET A 253 18.906 -13.535 34.660 1.00 59.06 C ATOM 1378 O MET A 253 18.691 -12.672 33.795 1.00 59.40 O ATOM 1379 CB MET A 253 21.398 -13.832 34.634 1.00 54.63 C ATOM 1380 CG MET A 253 21.641 -13.403 36.099 1.00 78.80 C ATOM 1381 SD MET A 253 23.177 -12.541 36.534 1.00111.40 S ATOM 1382 CE MET A 253 22.972 -12.400 38.325 1.00 74.86 C ATOM 1383 H MET A 253 19.934 -14.590 32.321 1.00 0.00 H ATOM 1384 N LEU A 254 18.176 -13.669 35.778 1.00 54.82 N ATOM 1385 CA LEU A 254 17.007 -12.834 36.049 1.00 48.34 C ATOM 1386 C LEU A 254 17.441 -11.396 36.256 1.00 51.13 C ATOM 1387 O LEU A 254 18.133 -11.112 37.236 1.00 51.76 O ATOM 1388 CB LEU A 254 16.297 -13.333 37.279 1.00 49.73 C ATOM 1389 CG LEU A 254 15.067 -12.531 37.660 1.00 53.34 C ATOM 1390 CD1 LEU A 254 14.063 -12.582 36.536 1.00 46.56 C ATOM 1391 CD2 LEU A 254 14.470 -12.983 38.994 1.00 51.30 C ATOM 1392 H LEU A 254 18.451 -14.391 36.475 1.00 0.00 H ATOM 1393 N PRO A 255 17.033 -10.461 35.394 1.00 58.39 N ATOM 1394 CA PRO A 255 17.548 -9.087 35.466 1.00 60.65 C ATOM 1395 C PRO A 255 17.217 -8.395 36.775 1.00 62.17 C ATOM 1396 O PRO A 255 16.281 -8.759 37.489 1.00 62.04 O ATOM 1397 CB PRO A 255 16.873 -8.387 34.282 1.00 57.38 C ATOM 1398 CG PRO A 255 15.693 -9.207 33.987 1.00 62.14 C ATOM 1399 CD PRO A 255 16.097 -10.622 34.275 1.00 61.76 C ATOM 1400 N ASP A 256 18.022 -7.371 37.080 1.00 61.54 N ATOM 1401 CA ASP A 256 17.989 -6.777 38.410 1.00 67.64 C ATOM 1402 C ASP A 256 16.674 -6.064 38.716 1.00 65.99 C ATOM 1403 O ASP A 256 16.279 -5.979 39.887 1.00 66.08 O ATOM 1404 CB ASP A 256 19.168 -5.830 38.615 1.00 70.93 C ATOM 1405 CG ASP A 256 19.364 -5.482 40.088 1.00 79.92 C ATOM 1406 OD1 ASP A 256 19.836 -6.363 40.855 1.00 75.76 O ATOM 1407 OD2 ASP A 256 19.010 -4.347 40.482 1.00 84.09 O ATOM 1408 H ASP A 256 18.676 -6.996 36.363 1.00 0.00 H ATOM 1409 N ASP A 257 16.006 -5.498 37.717 1.00 63.76 N ATOM 1410 CA ASP A 257 14.769 -4.793 38.020 1.00 68.72 C ATOM 1411 C ASP A 257 13.745 -5.736 38.637 1.00 66.47 C ATOM 1412 O ASP A 257 12.993 -5.353 39.545 1.00 65.25 O ATOM 1413 CB ASP A 257 14.210 -4.147 36.756 1.00 64.51 C ATOM 1414 CG ASP A 257 12.920 -3.377 37.006 1.00 71.66 C ATOM 1415 OD1 ASP A 257 12.717 -2.835 38.124 1.00 75.47 O ATOM 1416 OD2 ASP A 257 12.080 -3.360 36.084 1.00 69.30 O ATOM 1417 H ASP A 257 16.359 -5.557 36.740 1.00 0.00 H ATOM 1418 N ASP A 258 13.724 -6.983 38.176 1.00 65.24 N ATOM 1419 CA ASP A 258 12.725 -7.937 38.639 1.00 63.58 C ATOM 1420 C ASP A 258 13.103 -8.613 39.946 1.00 61.09 C ATOM 1421 O ASP A 258 12.219 -8.879 40.768 1.00 57.79 O ATOM 1422 CB ASP A 258 12.489 -8.955 37.544 1.00 60.06 C ATOM 1423 CG ASP A 258 11.904 -8.319 36.330 1.00 64.22 C ATOM 1424 OD1 ASP A 258 10.919 -7.555 36.489 1.00 67.05 O ATOM 1425 OD2 ASP A 258 12.479 -8.509 35.242 1.00 61.19 O ATOM 1426 H ASP A 258 14.431 -7.282 37.474 1.00 0.00 H ATOM 1427 N VAL A 259 14.394 -8.869 40.180 1.00 62.58 N ATOM 1428 CA VAL A 259 14.786 -9.397 41.481 1.00 62.03 C ATOM 1429 C VAL A 259 14.461 -8.382 42.564 1.00 59.92 C ATOM 1430 O VAL A 259 14.019 -8.747 43.659 1.00 60.00 O ATOM 1431 CB VAL A 259 16.275 -9.796 41.506 1.00 61.76 C ATOM 1432 CG1 VAL A 259 17.170 -8.592 41.355 1.00 66.80 C ATOM 1433 CG2 VAL A 259 16.602 -10.496 42.816 1.00 55.29 C ATOM 1434 H VAL A 259 15.108 -8.694 39.445 1.00 0.00 H ATOM 1435 N GLN A 260 14.625 -7.091 42.263 1.00 62.81 N ATOM 1436 CA GLN A 260 14.226 -6.062 43.218 1.00 67.12 C ATOM 1437 C GLN A 260 12.719 -6.101 43.466 1.00 59.07 C ATOM 1438 O GLN A 260 12.266 -6.034 44.617 1.00 50.86 O ATOM 1439 CB GLN A 260 14.673 -4.682 42.719 1.00 65.81 C ATOM 1440 CG GLN A 260 16.178 -4.414 42.847 1.00 68.01 C ATOM 1441 CD GLN A 260 16.661 -4.422 44.305 1.00 74.94 C ATOM 1442 OE1 GLN A 260 17.364 -5.344 44.722 1.00 73.74 O ATOM 1443 NE2 GLN A 260 16.257 -3.409 45.087 1.00 68.58 N ATOM 1444 HE22 GLN A 260 15.664 -2.652 44.692 1.00 0.00 H ATOM 1445 HE21 GLN A 260 16.537 -3.381 46.088 1.00 0.00 H ATOM 1446 H GLN A 260 15.037 -6.819 41.348 1.00 0.00 H ATOM 1447 N GLY A 261 11.937 -6.259 42.397 1.00 58.10 N ATOM 1448 CA GLY A 261 10.491 -6.206 42.526 1.00 53.75 C ATOM 1449 C GLY A 261 9.924 -7.378 43.300 1.00 52.38 C ATOM 1450 O GLY A 261 9.092 -7.199 44.190 1.00 52.78 O ATOM 1451 H GLY A 261 12.366 -6.421 41.464 1.00 0.00 H ATOM 1452 N ILE A 262 10.356 -8.598 42.968 1.00 52.78 N ATOM 1453 CA ILE A 262 9.808 -9.755 43.667 1.00 52.69 C ATOM 1454 C ILE A 262 10.285 -9.775 45.111 1.00 53.65 C ATOM 1455 O ILE A 262 9.544 -10.197 46.009 1.00 51.63 O ATOM 1456 CB ILE A 262 10.179 -11.070 42.956 1.00 49.06 C ATOM 1457 CG1 ILE A 262 9.363 -12.232 43.517 1.00 47.83 C ATOM 1458 CG2 ILE A 262 11.640 -11.391 43.128 1.00 46.05 C ATOM 1459 CD1 ILE A 262 7.908 -12.168 43.184 1.00 47.14 C ATOM 1460 H ILE A 262 11.071 -8.721 42.223 1.00 0.00 H ATOM 1461 N GLN A 263 11.501 -9.279 45.372 1.00 53.96 N ATOM 1462 CA GLN A 263 11.998 -9.269 46.739 1.00 51.35 C ATOM 1463 C GLN A 263 11.254 -8.246 47.581 1.00 54.39 C ATOM 1464 O GLN A 263 11.075 -8.459 48.786 1.00 54.30 O ATOM 1465 CB GLN A 263 13.506 -9.022 46.763 1.00 49.83 C ATOM 1466 CG GLN A 263 14.298 -10.235 46.325 1.00 49.91 C ATOM 1467 CD GLN A 263 15.779 -10.082 46.551 1.00 52.12 C ATOM 1468 OE1 GLN A 263 16.298 -8.967 46.678 1.00 54.42 O ATOM 1469 NE2 GLN A 263 16.478 -11.209 46.610 1.00 48.73 N ATOM 1470 HE22 GLN A 263 15.998 -12.125 46.498 1.00 0.00 H ATOM 1471 HE21 GLN A 263 17.505 -11.176 46.769 1.00 0.00 H ATOM 1472 H GLN A 263 12.088 -8.902 44.600 1.00 0.00 H ATOM 1473 N SER A 264 10.790 -7.152 46.968 1.00 51.94 N ATOM 1474 CA SER A 264 9.975 -6.205 47.713 1.00 48.21 C ATOM 1475 C SER A 264 8.744 -6.891 48.279 1.00 47.47 C ATOM 1476 O SER A 264 8.215 -6.472 49.311 1.00 50.87 O ATOM 1477 CB SER A 264 9.577 -5.028 46.829 1.00 50.70 C ATOM 1478 OG SER A 264 8.724 -5.435 45.781 1.00 55.54 O ATOM 1479 HG SER A 264 9.189 -6.106 45.221 1.00 0.00 H ATOM 1480 H SER A 264 11.010 -6.979 45.966 1.00 0.00 H ATOM 1481 N LEU A 265 8.291 -7.958 47.640 1.00 47.55 N ATOM 1482 CA LEU A 265 7.146 -8.692 48.153 1.00 50.07 C ATOM 1483 C LEU A 265 7.513 -9.765 49.166 1.00 47.93 C ATOM 1484 O LEU A 265 6.788 -9.942 50.146 1.00 50.05 O ATOM 1485 CB LEU A 265 6.361 -9.314 46.999 1.00 53.83 C ATOM 1486 CG LEU A 265 5.762 -8.318 46.021 1.00 50.15 C ATOM 1487 CD1 LEU A 265 4.941 -9.072 45.033 1.00 50.74 C ATOM 1488 CD2 LEU A 265 4.899 -7.363 46.785 1.00 51.47 C ATOM 1489 H LEU A 265 8.757 -8.273 46.765 1.00 0.00 H ATOM 1490 N TYR A 266 8.569 -10.545 48.906 1.00 49.79 N ATOM 1491 CA TYR A 266 8.900 -11.724 49.707 1.00 50.48 C ATOM 1492 C TYR A 266 10.267 -11.724 50.386 1.00 50.42 C ATOM 1493 O TYR A 266 10.499 -12.589 51.236 1.00 51.31 O ATOM 1494 CB TYR A 266 8.788 -12.986 48.844 1.00 52.21 C ATOM 1495 CG TYR A 266 7.421 -13.148 48.227 1.00 55.15 C ATOM 1496 CD1 TYR A 266 6.348 -13.523 49.014 1.00 55.86 C ATOM 1497 CD2 TYR A 266 7.183 -12.861 46.879 1.00 51.75 C ATOM 1498 CE1 TYR A 266 5.088 -13.670 48.478 1.00 54.61 C ATOM 1499 CE2 TYR A 266 5.918 -12.993 46.343 1.00 47.81 C ATOM 1500 CZ TYR A 266 4.877 -13.403 47.153 1.00 48.73 C ATOM 1501 OH TYR A 266 3.605 -13.554 46.669 1.00 47.72 O ATOM 1502 HH TYR A 266 3.284 -12.688 46.312 1.00 0.00 H ATOM 1503 H TYR A 266 9.180 -10.303 48.100 1.00 0.00 H ATOM 1504 N GLY A 267 11.151 -10.814 50.009 1.00 48.77 N ATOM 1505 CA GLY A 267 12.469 -10.765 50.604 1.00 48.20 C ATOM 1506 C GLY A 267 13.392 -11.808 50.014 1.00 52.09 C ATOM 1507 O GLY A 267 12.963 -12.671 49.258 1.00 51.67 O ATOM 1508 H GLY A 267 10.895 -10.124 49.274 1.00 0.00 H ATOM 1509 N PRO A 268 14.668 -11.715 50.359 1.00 50.12 N ATOM 1510 CA PRO A 268 15.691 -12.641 49.871 1.00 50.52 C ATOM 1511 C PRO A 268 15.607 -14.021 50.504 1.00 54.39 C ATOM 1512 O PRO A 268 15.052 -14.171 51.586 1.00 57.36 O ATOM 1513 CB PRO A 268 16.992 -11.959 50.284 1.00 51.08 C ATOM 1514 CG PRO A 268 16.655 -10.511 50.294 1.00 47.26 C ATOM 1515 CD PRO A 268 15.243 -10.431 50.786 1.00 45.42 C ATOM 1516 N GLY A 269 16.145 -15.021 49.819 1.00 54.12 N ATOM 1517 CA GLY A 269 16.137 -16.376 50.328 1.00 55.88 C ATOM 1518 C GLY A 269 17.249 -16.612 51.330 1.00 57.69 C ATOM 1519 O GLY A 269 18.392 -16.220 51.101 1.00 62.29 O ATOM 1520 H GLY A 269 16.582 -14.827 48.896 1.00 0.00 H TER 1521 GLY A 269 HETATM 1522 ZN ZN A 1 2.100 -9.709 31.218 1.00 43.20 ZN HETATM 1523 ZN ZN A 2 -7.900 -17.281 30.717 1.00 42.67 ZN HETATM 1524 CA CA A 3 -3.465 -15.238 20.318 1.00 39.93 CA HETATM 1525 CA CA A 4 -5.724 -21.011 42.014 1.00 57.94 CA HETATM 1526 C1 UNN A 5 -1.699 -7.635 28.145 1.00 -0.02 C HETATM 1527 N1 UNN A 5 -2.424 -7.696 29.459 1.00 0.22 N HETATM 1528 H3 UNN A 5 -2.609 -6.760 29.785 1.00 0.20 H HETATM 1529 H4 UNN A 5 -1.854 -8.181 30.135 1.00 0.20 H HETATM 1530 H5 UNN A 5 -3.296 -8.188 29.339 1.00 0.20 H HETATM 1531 C2 UNN A 5 -1.383 -9.029 27.586 1.00 0.07 C HETATM 1532 N3 UNN A 5 -0.721 -8.931 26.268 1.00 -0.24 N HETATM 1533 S4 UNN A 5 -0.162 -10.374 25.767 1.00 0.07 S HETATM 1534 O5 UNN A 5 -0.133 -10.363 24.352 1.00 -0.15 O HETATM 1535 O6 UNN A 5 -1.051 -11.434 26.124 1.00 -0.15 O HETATM 1536 C7 UNN A 5 1.345 -10.646 26.272 1.00 0.11 C HETATM 1537 C8 UNN A 5 2.360 -9.792 25.875 1.00 -0.04 C HETATM 1538 C9 UNN A 5 3.669 -9.994 26.297 1.00 -0.05 C HETATM 1539 C10 UNN A 5 4.013 -11.040 27.132 1.00 -0.02 C HETATM 1540 C11 UNN A 5 3.007 -11.910 27.528 1.00 -0.05 C HETATM 1541 C12 UNN A 5 1.688 -11.708 27.105 1.00 -0.04 C HETATM 1542 H12 UNN A 5 0.916 -12.394 27.433 1.00 0.06 H HETATM 1543 H11 UNN A 5 3.244 -12.751 28.169 1.00 0.06 H HETATM 1544 C13 UNN A 5 5.451 -11.205 27.527 1.00 -0.02 C HETATM 1545 C14 UNN A 5 6.299 -10.102 27.514 1.00 -0.06 C HETATM 1546 C15 UNN A 5 7.644 -10.236 27.863 1.00 -0.06 C HETATM 1547 C16 UNN A 5 8.194 -11.465 28.218 1.00 -0.03 C HETATM 1548 C17 UNN A 5 7.346 -12.570 28.234 1.00 -0.06 C HETATM 1549 C18 UNN A 5 5.991 -12.445 27.891 1.00 -0.06 C HETATM 1550 H16 UNN A 5 5.353 -13.321 27.908 1.00 0.06 H HETATM 1551 H15 UNN A 5 7.738 -13.540 28.515 1.00 0.06 H HETATM 1552 C19 UNN A 5 9.673 -11.602 28.589 1.00 0.05 C HETATM 1553 S20 UNN A 5 10.850 -10.955 27.396 1.00 -0.03 S HETATM 1554 C21 UNN A 5 12.483 -11.285 27.813 1.00 0.15 C HETATM 1555 N22 UNN A 5 12.966 -10.928 29.042 1.00 -0.25 N HETATM 1556 C23 UNN A 5 14.247 -11.209 29.375 1.00 0.07 C HETATM 1557 C24 UNN A 5 15.118 -11.878 28.437 1.00 0.11 C HETATM 1558 C25 UNN A 5 14.560 -12.237 27.124 1.00 0.17 C HETATM 1559 N26 UNN A 5 13.270 -11.911 26.900 1.00 -0.26 N HETATM 1560 O27 UNN A 5 15.256 -12.819 26.261 1.00 -0.39 O HETATM 1561 C28 UNN A 5 16.494 -12.093 28.986 1.00 -0.01 C HETATM 1562 C29 UNN A 5 16.343 -11.603 30.437 1.00 -0.03 C HETATM 1563 C30 UNN A 5 14.981 -10.921 30.656 1.00 0.03 C HETATM 1564 H24 UNN A 5 14.456 -11.356 31.519 1.00 0.06 H HETATM 1565 H25 UNN A 5 15.101 -9.838 30.808 1.00 0.06 H HETATM 1566 H22 UNN A 5 17.144 -10.883 30.657 1.00 0.03 H HETATM 1567 H23 UNN A 5 16.427 -12.464 31.117 1.00 0.03 H HETATM 1568 H20 UNN A 5 17.240 -11.497 28.439 1.00 0.03 H HETATM 1569 H21 UNN A 5 16.776 -13.156 28.951 1.00 0.03 H HETATM 1570 H19 UNN A 5 14.823 -12.872 28.805 1.00 0.09 H HETATM 1571 H17 UNN A 5 9.887 -12.672 28.726 1.00 0.06 H HETATM 1572 H18 UNN A 5 9.832 -11.071 29.539 1.00 0.06 H HETATM 1573 H14 UNN A 5 8.279 -9.357 27.858 1.00 0.06 H HETATM 1574 H13 UNN A 5 5.912 -9.130 27.230 1.00 0.06 H HETATM 1575 H10 UNN A 5 4.442 -9.312 25.962 1.00 0.06 H HETATM 1576 H9 UNN A 5 2.131 -8.954 25.226 1.00 0.06 H HETATM 1577 H8 UNN A 5 -0.628 -8.082 25.748 1.00 0.17 H HETATM 1578 H6 UNN A 5 -2.320 -9.594 27.477 1.00 0.05 H HETATM 1579 H7 UNN A 5 -0.717 -9.555 28.285 1.00 0.05 H HETATM 1580 H1 UNN A 5 -0.755 -7.089 28.288 1.00 0.08 H HETATM 1581 H2 UNN A 5 -2.327 -7.098 27.419 1.00 0.08 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 552 551 1525 CONECT 651 649 650 1523 CONECT 665 663 1523 CONECT 718 717 1524 CONECT 724 723 1524 CONECT 736 735 1524 CONECT 749 748 1524 CONECT 779 777 778 1523 CONECT 828 827 1525 CONECT 853 852 1525 CONECT 866 865 1525 CONECT 881 880 883 1523 CONECT 1095 1093 1094 1522 CONECT 1133 1131 1132 1522 CONECT 1184 1182 1183 1522 CONECT 1522 1095 1133 1184 CONECT 1523 651 665 779 881 CONECT 1524 718 724 736 749 CONECT 1525 552 828 853 866 CONECT 1526 1527 1531 1580 1581 CONECT 1527 1526 1528 1529 1530 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1527 CONECT 1531 1526 1532 1578 1579 CONECT 1532 1531 1533 1577 CONECT 1533 1532 1534 1535 1536 CONECT 1534 1533 CONECT 1535 1533 CONECT 1536 1533 1537 1541 CONECT 1537 1536 1538 1576 CONECT 1538 1537 1539 1575 CONECT 1539 1538 1540 1544 CONECT 1540 1539 1541 1543 CONECT 1541 1536 1540 1542 CONECT 1542 1541 CONECT 1543 1540 CONECT 1544 1539 1545 1549 CONECT 1545 1544 1546 1574 CONECT 1546 1545 1547 1573 CONECT 1547 1546 1548 1552 CONECT 1548 1547 1549 1551 CONECT 1549 1544 1548 1550 CONECT 1550 1549 CONECT 1551 1548 CONECT 1552 1547 1553 1571 1572 CONECT 1553 1552 1554 CONECT 1554 1553 1555 1559 CONECT 1555 1554 1556 CONECT 1556 1555 1557 1563 CONECT 1557 1556 1558 1561 1570 CONECT 1558 1557 1559 1560 CONECT 1559 1554 1558 CONECT 1560 1558 CONECT 1561 1557 1562 1568 1569 CONECT 1562 1561 1563 1566 1567 CONECT 1563 1556 1562 1564 1565 CONECT 1564 1563 CONECT 1565 1563 CONECT 1566 1562 CONECT 1567 1562 CONECT 1568 1561 CONECT 1569 1561 CONECT 1570 1557 CONECT 1571 1552 CONECT 1572 1552 CONECT 1573 1546 CONECT 1574 1545 CONECT 1575 1538 CONECT 1576 1537 CONECT 1577 1532 CONECT 1578 1531 CONECT 1579 1531 CONECT 1580 1526 CONECT 1581 1526 MASTER 0 0 0 0 0 0 0 0 1580 1 79 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5uwn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eub
RCSB PDB
PDBbind
171aa, >1EUB_1|Chain... at 100%
1fls
RCSB PDB
PDBbind
165aa, >1FLS_1|Chain... at 100%
1xuc
RCSB PDB
PDBbind
171aa, >1XUC_1|Chains... at 100%
1xud
RCSB PDB
PDBbind
171aa, >1XUD_1|Chains... at 100%
1xur
RCSB PDB
PDBbind
171aa, >1XUR_1|Chains... at 100%
1you
RCSB PDB
PDBbind
168aa, >1YOU_1|Chains... at 100%
1ztq
RCSB PDB
PDBbind
165aa, >1ZTQ_1|Chains... at 100%
2d1n
RCSB PDB
PDBbind
166aa, >2D1N_1|Chains... at 100%
2ow9
RCSB PDB
PDBbind
170aa, >2OW9_1|Chains... at 98%
2ozr
RCSB PDB
PDBbind
170aa, >2OZR_1|Chains... at 98%
2pjt
RCSB PDB
PDBbind
165aa, >2PJT_1|Chains... at 100%
2yig
RCSB PDB
PDBbind
171aa, >2YIG_1|Chains... at 100%
3elm
RCSB PDB
PDBbind
171aa, >3ELM_1|Chains... at 100%
3i7g
RCSB PDB
PDBbind
171aa, >3I7G_1|Chains... at 100%
3i7i
RCSB PDB
PDBbind
171aa, >3I7I_1|Chains... at 100%
3kec
RCSB PDB
PDBbind
167aa, >3KEC_1|Chains... at 100%
3kej
RCSB PDB
PDBbind
167aa, >3KEJ_1|Chains... at 100%
3kek
RCSB PDB
PDBbind
167aa, >3KEK_1|Chains... at 100%
3kry
RCSB PDB
PDBbind
164aa, >3KRY_1|Chains... at 100%
3ljz
RCSB PDB
PDBbind
164aa, >3LJZ_1|Chains... at 99%
3tvc
RCSB PDB
PDBbind
169aa, >3TVC_1|Chain... at 100%
3wv1
RCSB PDB
PDBbind
171aa, >3WV1_1|Chains... at 100%
3wv2
RCSB PDB
PDBbind
171aa, >3WV2_1|Chains... at 100%
3wv3
RCSB PDB
PDBbind
171aa, >3WV3_1|Chains... at 100%
3zxh
RCSB PDB
PDBbind
171aa, >3ZXH_1|Chains... at 100%
456c
RCSB PDB
PDBbind
168aa, >456C_1|Chains... at 100%
4a7b
RCSB PDB
PDBbind
169aa, >4A7B_1|Chains... at 100%
4jpa
RCSB PDB
PDBbind
173aa, >4JPA_1|Chains... *
4l19
RCSB PDB
PDBbind
171aa, >4L19_1|Chains... at 100%
5b5o
RCSB PDB
PDBbind
172aa, >5B5O_1|Chains... at 100%
5b5p
RCSB PDB
PDBbind
172aa, >5B5P_1|Chains... at 100%
5bot
RCSB PDB
PDBbind
171aa, >5BOT_1|Chains... at 100%
5boy
RCSB PDB
PDBbind
171aa, >5BOY_1|Chains... at 100%
5bpa
RCSB PDB
PDBbind
171aa, >5BPA_1|Chains... at 100%
5uwk
RCSB PDB
PDBbind
172aa, >5UWK_1|Chains... at 99%
5uwl
RCSB PDB
PDBbind
172aa, >5UWL_1|Chains... at 99%
5uwm
RCSB PDB
PDBbind
172aa, >5UWM_1|Chains... at 99%
830c
RCSB PDB
PDBbind
168aa, >830C_1|Chains... at 100%
6hv2
RCSB PDB
PDBbind
168aa, >6HV2_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5uwn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Matrix Metalloproteinase 13
Ligand Name
8O7
EC.Number
E.C.-.-.-.-
Resolution
3.2(Å)
Affinity (Kd/Ki/IC50)
Ki=13.5nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5816-5825
Ligand Properties
Formula
C
2
2
H
2
5
N
4
O
3
S
2
Molecular Weight
457.589
Exact Mass
457.137
No. of atoms
56
No. of bonds
59
Polar Surface Area
149.28
LOGP Value
2.20 (
Computed with XLOGP3
)
2.59 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
[NH3+]CCNS(=O)(=O)c1ccc(cc1)c1ccc(cc1)CSC1=NC(=O)[C@@H]2C(=N1)CCC2
InChI String
InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,19,24H,1-3,12-14,23H2/p+1/t19-/m0/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):
P45452
Entrez Gene ID
NCBI Entrez Gene ID:
4322
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓