Browse entries in the PDBbind-CN Database
HEADER 2NNQ_COMPLEX COMPND 2NNQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 CYS ASP ALA PHE VAL GLY THR TRP LYS LEU VAL SER SER SEQRES 2 A 131 GLU ASN PHE ASP ASP TYR MET LYS GLU VAL GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG LYS VAL ALA GLY MET ALA LYS PRO ASN SEQRES 4 A 131 MET ILE ILE SER VAL ASN GLY ASP VAL ILE THR ILE LYS SEQRES 5 A 131 SER GLU SER THR PHE LYS ASN THR GLU ILE SER PHE ILE SEQRES 6 A 131 LEU GLY GLN GLU PHE ASP GLU VAL THR ALA ASP ASP ARG SEQRES 7 A 131 LYS VAL LYS SER THR ILE THR LEU ASP GLY GLY VAL LEU SEQRES 8 A 131 VAL HIS VAL GLN LYS TRP ASP GLY LYS SER THR THR ILE SEQRES 9 A 131 LYS ARG LYS ARG GLU ASP ASP LYS LEU VAL VAL GLU CYS SEQRES 10 A 131 VAL MET LYS GLY VAL THR SER THR ARG VAL TYR GLU ARG SEQRES 11 A 131 ALA HET T A 4B 61 ATOM 1 N CYS A 1 11.446 16.187 0.805 1.00 30.50 N ATOM 2 CA CYS A 1 10.673 15.107 1.486 1.00 29.81 C ATOM 3 C CYS A 1 9.794 14.319 0.533 1.00 27.54 C ATOM 4 O CYS A 1 8.943 13.552 0.976 1.00 27.55 O ATOM 5 CB CYS A 1 9.781 15.697 2.574 1.00 31.21 C ATOM 6 SG CYS A 1 10.641 16.778 3.682 1.00 35.02 S ATOM 7 HA CYS A 1 11.414 14.430 1.911 1.00 0.00 H ATOM 8 HB2 CYS A 1 9.354 14.878 3.153 1.00 0.00 H ATOM 9 HB3 CYS A 1 8.979 16.259 2.096 1.00 0.00 H ATOM 10 HG CYS A 1 9.759 17.262 4.627 1.00 0.00 H ATOM 11 HN3 CYS A 1 10.786 16.854 0.357 1.00 0.00 H ATOM 12 HN2 CYS A 1 12.062 15.767 0.080 1.00 0.00 H ATOM 13 HN1 CYS A 1 12.027 16.690 1.505 1.00 0.00 H ATOM 14 N ASP A 2 9.983 14.511 -0.769 1.00 25.59 N ATOM 15 CA ASP A 2 9.144 13.833 -1.749 1.00 23.79 C ATOM 16 C ASP A 2 9.078 12.333 -1.471 1.00 20.51 C ATOM 17 O ASP A 2 8.039 11.708 -1.672 1.00 19.53 O ATOM 18 CB ASP A 2 9.672 14.074 -3.168 1.00 26.44 C ATOM 19 CG ASP A 2 9.359 15.473 -3.681 1.00 30.05 C ATOM 20 OD1 ASP A 2 8.621 16.211 -2.988 1.00 30.52 O ATOM 21 OD2 ASP A 2 9.847 15.833 -4.776 1.00 31.35 O ATOM 22 HA ASP A 2 8.138 14.246 -1.667 1.00 0.00 H ATOM 23 HB2 ASP A 2 10.753 13.937 -3.166 1.00 0.00 H ATOM 24 HB3 ASP A 2 9.216 13.346 -3.839 1.00 0.00 H ATOM 25 H ASP A 2 10.737 15.151 -1.091 1.00 0.00 H ATOM 26 N ALA A 3 10.184 11.765 -0.996 1.00 16.77 N ATOM 27 CA ALA A 3 10.290 10.319 -0.812 1.00 15.38 C ATOM 28 C ALA A 3 9.580 9.834 0.456 1.00 13.37 C ATOM 29 O ALA A 3 9.337 8.635 0.618 1.00 11.49 O ATOM 30 CB ALA A 3 11.761 9.905 -0.774 1.00 16.41 C ATOM 31 HA ALA A 3 9.792 9.850 -1.660 1.00 0.00 H ATOM 32 HB1 ALA A 3 12.240 10.184 -1.712 1.00 0.00 H ATOM 33 HB2 ALA A 3 12.258 10.411 0.054 1.00 0.00 H ATOM 34 HB3 ALA A 3 11.830 8.826 -0.637 1.00 0.00 H ATOM 35 H ALA A 3 10.995 12.367 -0.749 1.00 0.00 H ATOM 36 N PHE A 4 9.261 10.769 1.349 1.00 10.20 N ATOM 37 CA PHE A 4 8.561 10.446 2.590 1.00 10.79 C ATOM 38 C PHE A 4 7.052 10.515 2.417 1.00 10.09 C ATOM 39 O PHE A 4 6.302 9.916 3.190 1.00 9.93 O ATOM 40 CB PHE A 4 8.975 11.409 3.704 1.00 11.21 C ATOM 41 CG PHE A 4 10.379 11.209 4.180 1.00 12.09 C ATOM 42 CD1 PHE A 4 11.401 12.033 3.733 1.00 12.84 C ATOM 43 CD2 PHE A 4 10.685 10.184 5.060 1.00 11.59 C ATOM 44 CE1 PHE A 4 12.703 11.834 4.158 1.00 13.02 C ATOM 45 CE2 PHE A 4 11.982 9.981 5.486 1.00 11.04 C ATOM 46 CZ PHE A 4 12.993 10.806 5.035 1.00 9.33 C ATOM 47 HA PHE A 4 8.837 9.426 2.857 1.00 0.00 H ATOM 48 HB2 PHE A 4 8.880 12.429 3.331 1.00 0.00 H ATOM 49 HB3 PHE A 4 8.301 11.268 4.549 1.00 0.00 H ATOM 50 HD2 PHE A 4 9.891 9.529 5.421 1.00 0.00 H ATOM 51 HE2 PHE A 4 12.208 9.170 6.178 1.00 0.00 H ATOM 52 HZ PHE A 4 14.018 10.647 5.370 1.00 0.00 H ATOM 53 HE1 PHE A 4 13.499 12.488 3.801 1.00 0.00 H ATOM 54 HD1 PHE A 4 11.177 12.845 3.041 1.00 0.00 H ATOM 55 H PHE A 4 9.518 11.758 1.157 1.00 0.00 H ATOM 56 N VAL A 5 6.614 11.249 1.399 1.00 7.90 N ATOM 57 CA VAL A 5 5.199 11.528 1.202 1.00 8.25 C ATOM 58 C VAL A 5 4.401 10.270 0.878 1.00 9.42 C ATOM 59 O VAL A 5 4.784 9.471 0.017 1.00 10.50 O ATOM 60 CB VAL A 5 4.998 12.571 0.077 1.00 8.72 C ATOM 61 CG1 VAL A 5 3.523 12.729 -0.241 1.00 9.30 C ATOM 62 CG2 VAL A 5 5.581 13.916 0.516 1.00 8.89 C ATOM 63 HA VAL A 5 4.826 11.929 2.144 1.00 0.00 H ATOM 64 HB VAL A 5 5.512 12.226 -0.820 1.00 0.00 H ATOM 65 HG11 VAL A 5 3.118 11.771 -0.568 1.00 0.00 H ATOM 66 HG12 VAL A 5 2.994 13.063 0.652 1.00 0.00 H ATOM 67 HG13 VAL A 5 3.401 13.466 -1.034 1.00 0.00 H ATOM 68 HG21 VAL A 5 5.073 14.253 1.419 1.00 0.00 H ATOM 69 HG22 VAL A 5 6.646 13.800 0.718 1.00 0.00 H ATOM 70 HG23 VAL A 5 5.438 14.649 -0.278 1.00 0.00 H ATOM 71 H VAL A 5 7.303 11.636 0.723 1.00 0.00 H ATOM 72 N GLY A 6 3.292 10.093 1.583 1.00 9.23 N ATOM 73 CA GLY A 6 2.419 8.975 1.295 1.00 10.70 C ATOM 74 C GLY A 6 1.749 8.407 2.527 1.00 10.59 C ATOM 75 O GLY A 6 1.782 9.001 3.605 1.00 9.39 O ATOM 76 HA3 GLY A 6 3.009 8.187 0.827 1.00 0.00 H ATOM 77 HA2 GLY A 6 1.646 9.309 0.603 1.00 0.00 H ATOM 78 H GLY A 6 3.049 10.759 2.344 1.00 0.00 H ATOM 79 N THR A 7 1.124 7.250 2.358 1.00 9.90 N ATOM 80 CA THR A 7 0.524 6.543 3.478 1.00 10.56 C ATOM 81 C THR A 7 1.354 5.309 3.797 1.00 10.88 C ATOM 82 O THR A 7 1.658 4.503 2.914 1.00 10.40 O ATOM 83 CB THR A 7 -0.922 6.128 3.151 1.00 12.35 C ATOM 84 OG1 THR A 7 -1.723 7.306 2.978 1.00 11.82 O ATOM 85 CG2 THR A 7 -1.497 5.272 4.272 1.00 9.88 C ATOM 86 HA THR A 7 0.503 7.208 4.342 1.00 0.00 H ATOM 87 HB THR A 7 -0.926 5.541 2.232 1.00 0.00 H ATOM 88 HG1 THR A 7 -2.654 7.043 2.768 1.00 0.00 H ATOM 89 HG23 THR A 7 -0.884 4.380 4.397 1.00 0.00 H ATOM 90 HG21 THR A 7 -1.501 5.845 5.199 1.00 0.00 H ATOM 91 HG22 THR A 7 -2.516 4.981 4.019 1.00 0.00 H ATOM 92 H THR A 7 1.062 6.840 1.404 1.00 0.00 H ATOM 93 N TRP A 8 1.734 5.179 5.064 1.00 10.55 N ATOM 94 CA TRP A 8 2.651 4.134 5.486 1.00 9.00 C ATOM 95 C TRP A 8 1.997 3.291 6.569 1.00 10.07 C ATOM 96 O TRP A 8 1.193 3.788 7.354 1.00 10.21 O ATOM 97 CB TRP A 8 3.942 4.756 6.022 1.00 8.61 C ATOM 98 CG TRP A 8 4.655 5.593 5.011 1.00 6.73 C ATOM 99 CD1 TRP A 8 4.465 6.919 4.766 1.00 7.80 C ATOM 100 CD2 TRP A 8 5.646 5.149 4.078 1.00 7.74 C ATOM 101 NE1 TRP A 8 5.275 7.331 3.733 1.00 8.59 N ATOM 102 CE2 TRP A 8 6.010 6.261 3.294 1.00 7.90 C ATOM 103 CE3 TRP A 8 6.261 3.917 3.828 1.00 7.53 C ATOM 104 CZ2 TRP A 8 6.961 6.179 2.277 1.00 7.99 C ATOM 105 CZ3 TRP A 8 7.204 3.838 2.819 1.00 6.26 C ATOM 106 CH2 TRP A 8 7.544 4.959 2.057 1.00 7.53 C ATOM 107 HA TRP A 8 2.892 3.502 4.631 1.00 0.00 H ATOM 108 HB2 TRP A 8 3.695 5.382 6.879 1.00 0.00 H ATOM 109 HB3 TRP A 8 4.608 3.954 6.340 1.00 0.00 H ATOM 110 HE1 TRP A 8 5.322 8.296 3.348 1.00 0.00 H ATOM 111 HD1 TRP A 8 3.772 7.561 5.309 1.00 0.00 H ATOM 112 HZ2 TRP A 8 7.230 7.051 1.681 1.00 0.00 H ATOM 113 HH2 TRP A 8 8.291 4.860 1.269 1.00 0.00 H ATOM 114 HZ3 TRP A 8 7.691 2.884 2.615 1.00 0.00 H ATOM 115 HE3 TRP A 8 6.002 3.037 4.417 1.00 0.00 H ATOM 116 H TRP A 8 1.365 5.844 5.773 1.00 0.00 H ATOM 117 N LYS A 9 2.348 2.012 6.603 1.00 11.15 N ATOM 118 CA LYS A 9 1.812 1.107 7.610 1.00 11.76 C ATOM 119 C LYS A 9 2.961 0.421 8.339 1.00 10.61 C ATOM 120 O LYS A 9 3.961 0.048 7.726 1.00 10.10 O ATOM 121 CB LYS A 9 0.919 0.059 6.943 1.00 13.39 C ATOM 122 CG LYS A 9 1.654 -0.794 5.936 1.00 17.34 C ATOM 123 CD LYS A 9 0.751 -1.823 5.277 1.00 20.51 C ATOM 124 CE LYS A 9 1.545 -2.649 4.274 1.00 22.04 C ATOM 125 NZ LYS A 9 0.665 -3.501 3.425 1.00 24.66 N ATOM 126 HA LYS A 9 1.218 1.674 8.327 1.00 0.00 H ATOM 127 HB2 LYS A 9 0.511 -0.592 7.716 1.00 0.00 H ATOM 128 HB3 LYS A 9 0.103 0.572 6.433 1.00 0.00 H ATOM 129 HG2 LYS A 9 2.068 -0.146 5.164 1.00 0.00 H ATOM 130 HG3 LYS A 9 2.465 -1.315 6.444 1.00 0.00 H ATOM 131 HD2 LYS A 9 0.338 -2.482 6.040 1.00 0.00 H ATOM 132 HD3 LYS A 9 -0.062 -1.312 4.761 1.00 0.00 H ATOM 133 HE2 LYS A 9 2.238 -3.291 4.818 1.00 0.00 H ATOM 134 HE3 LYS A 9 2.108 -1.974 3.630 1.00 0.00 H ATOM 135 HZ1 LYS A 9 0.129 -4.155 4.030 1.00 0.00 H ATOM 136 HZ2 LYS A 9 0.005 -2.896 2.896 1.00 0.00 H ATOM 137 HZ3 LYS A 9 1.249 -4.045 2.758 1.00 0.00 H ATOM 138 H LYS A 9 3.019 1.649 5.897 1.00 0.00 H ATOM 139 N LEU A 10 2.810 0.258 9.650 1.00 10.39 N ATOM 140 CA LEU A 10 3.836 -0.372 10.473 1.00 11.16 C ATOM 141 C LEU A 10 3.954 -1.857 10.166 1.00 10.82 C ATOM 142 O LEU A 10 2.986 -2.593 10.293 1.00 12.24 O ATOM 143 CB LEU A 10 3.500 -0.196 11.955 1.00 11.59 C ATOM 144 CG LEU A 10 4.548 -0.736 12.923 1.00 11.59 C ATOM 145 CD1 LEU A 10 5.814 0.089 12.802 1.00 13.16 C ATOM 146 CD2 LEU A 10 4.010 -0.678 14.341 1.00 12.40 C ATOM 147 HA LEU A 10 4.786 0.111 10.245 1.00 0.00 H ATOM 148 HB2 LEU A 10 3.377 0.869 12.150 1.00 0.00 H ATOM 149 HB3 LEU A 10 2.560 -0.711 12.152 1.00 0.00 H ATOM 150 HG LEU A 10 4.777 -1.774 12.679 1.00 0.00 H ATOM 151 HD21 LEU A 10 3.777 0.355 14.598 1.00 0.00 H ATOM 152 HD22 LEU A 10 3.106 -1.283 14.410 1.00 0.00 H ATOM 153 HD23 LEU A 10 4.761 -1.065 15.029 1.00 0.00 H ATOM 154 HD11 LEU A 10 6.192 0.025 11.781 1.00 0.00 H ATOM 155 HD12 LEU A 10 5.593 1.128 13.045 1.00 0.00 H ATOM 156 HD13 LEU A 10 6.564 -0.295 13.493 1.00 0.00 H ATOM 157 H LEU A 10 1.934 0.590 10.102 1.00 0.00 H ATOM 158 N VAL A 11 5.144 -2.300 9.773 1.00 10.81 N ATOM 159 CA VAL A 11 5.349 -3.708 9.461 1.00 11.44 C ATOM 160 C VAL A 11 6.144 -4.447 10.542 1.00 12.30 C ATOM 161 O VAL A 11 5.990 -5.654 10.716 1.00 12.23 O ATOM 162 CB VAL A 11 6.052 -3.880 8.092 1.00 12.92 C ATOM 163 CG1 VAL A 11 5.159 -3.337 6.978 1.00 11.11 C ATOM 164 CG2 VAL A 11 7.386 -3.158 8.094 1.00 14.92 C ATOM 165 HA VAL A 11 4.355 -4.154 9.418 1.00 0.00 H ATOM 166 HB VAL A 11 6.231 -4.941 7.916 1.00 0.00 H ATOM 167 HG11 VAL A 11 4.216 -3.884 6.970 1.00 0.00 H ATOM 168 HG12 VAL A 11 4.965 -2.279 7.153 1.00 0.00 H ATOM 169 HG13 VAL A 11 5.661 -3.462 6.018 1.00 0.00 H ATOM 170 HG21 VAL A 11 7.223 -2.097 8.281 1.00 0.00 H ATOM 171 HG22 VAL A 11 8.021 -3.573 8.877 1.00 0.00 H ATOM 172 HG23 VAL A 11 7.869 -3.287 7.126 1.00 0.00 H ATOM 173 H VAL A 11 5.938 -1.634 9.687 1.00 0.00 H ATOM 174 N SER A 12 6.989 -3.728 11.274 1.00 10.22 N ATOM 175 CA SER A 12 7.708 -4.345 12.383 1.00 9.92 C ATOM 176 C SER A 12 8.194 -3.343 13.420 1.00 9.30 C ATOM 177 O SER A 12 8.341 -2.153 13.143 1.00 7.42 O ATOM 178 CB SER A 12 8.891 -5.174 11.864 1.00 10.79 C ATOM 179 OG SER A 12 9.870 -4.371 11.234 1.00 8.91 O ATOM 180 HA SER A 12 6.991 -4.995 12.884 1.00 0.00 H ATOM 181 HB2 SER A 12 8.520 -5.904 11.145 1.00 0.00 H ATOM 182 HB3 SER A 12 9.351 -5.694 12.704 1.00 0.00 H ATOM 183 HG SER A 12 10.611 -4.945 10.916 1.00 0.00 H ATOM 184 H SER A 12 7.138 -2.722 11.055 1.00 0.00 H ATOM 185 N SER A 13 8.428 -3.843 14.628 1.00 9.03 N ATOM 186 CA SER A 13 8.880 -3.012 15.729 1.00 8.73 C ATOM 187 C SER A 13 9.896 -3.787 16.553 1.00 8.38 C ATOM 188 O SER A 13 9.749 -4.990 16.764 1.00 8.31 O ATOM 189 CB SER A 13 7.689 -2.618 16.606 1.00 8.93 C ATOM 190 OG SER A 13 8.097 -1.782 17.671 1.00 8.78 O ATOM 191 HA SER A 13 9.343 -2.106 15.338 1.00 0.00 H ATOM 192 HB2 SER A 13 7.234 -3.520 17.015 1.00 0.00 H ATOM 193 HB3 SER A 13 6.957 -2.088 15.996 1.00 0.00 H ATOM 194 HG SER A 13 7.310 -1.543 18.221 1.00 0.00 H ATOM 195 H SER A 13 8.283 -4.860 14.790 1.00 0.00 H ATOM 196 N GLU A 14 10.935 -3.098 17.004 1.00 9.51 N ATOM 197 CA GLU A 14 11.918 -3.703 17.887 1.00 9.86 C ATOM 198 C GLU A 14 12.248 -2.754 19.033 1.00 9.66 C ATOM 199 O GLU A 14 12.537 -1.576 18.813 1.00 8.81 O ATOM 200 CB GLU A 14 13.193 -4.047 17.112 1.00 12.53 C ATOM 201 CG GLU A 14 13.001 -5.133 16.042 1.00 18.10 C ATOM 202 CD GLU A 14 12.834 -6.533 16.633 1.00 21.81 C ATOM 203 OE1 GLU A 14 12.856 -6.679 17.876 1.00 24.19 O ATOM 204 OE2 GLU A 14 12.685 -7.496 15.848 1.00 24.57 O ATOM 205 HA GLU A 14 11.497 -4.622 18.295 1.00 0.00 H ATOM 206 HB2 GLU A 14 13.551 -3.142 16.621 1.00 0.00 H ATOM 207 HB3 GLU A 14 13.943 -4.394 17.823 1.00 0.00 H ATOM 208 HG2 GLU A 14 12.111 -4.893 15.460 1.00 0.00 H ATOM 209 HG3 GLU A 14 13.873 -5.134 15.388 1.00 0.00 H ATOM 210 H GLU A 14 11.049 -2.104 16.720 1.00 0.00 H ATOM 211 N ASN A 15 12.187 -3.281 20.253 1.00 8.90 N ATOM 212 CA ASN A 15 12.610 -2.557 21.451 1.00 10.04 C ATOM 213 C ASN A 15 11.808 -1.293 21.738 1.00 9.97 C ATOM 214 O ASN A 15 12.279 -0.416 22.465 1.00 9.30 O ATOM 215 CB ASN A 15 14.089 -2.192 21.345 1.00 11.16 C ATOM 216 CG ASN A 15 14.974 -3.405 21.177 1.00 12.79 C ATOM 217 OD1 ASN A 15 15.677 -3.537 20.177 1.00 17.97 O ATOM 218 ND2 ASN A 15 14.948 -4.299 22.155 1.00 12.87 N ATOM 219 HA ASN A 15 12.428 -3.238 22.283 1.00 0.00 H ATOM 220 HB2 ASN A 15 14.227 -1.537 20.485 1.00 0.00 H ATOM 221 HB3 ASN A 15 14.385 -1.666 22.252 1.00 0.00 H ATOM 222 HD22 ASN A 15 14.338 -4.146 22.983 1.00 0.00 H ATOM 223 HD21 ASN A 15 15.538 -5.153 22.094 1.00 0.00 H ATOM 224 H ASN A 15 11.823 -4.249 20.359 1.00 0.00 H ATOM 225 N PHE A 16 10.606 -1.183 21.180 1.00 7.70 N ATOM 226 CA PHE A 16 9.835 0.029 21.399 1.00 7.55 C ATOM 227 C PHE A 16 9.324 0.150 22.832 1.00 7.12 C ATOM 228 O PHE A 16 9.182 1.259 23.348 1.00 7.42 O ATOM 229 CB PHE A 16 8.660 0.124 20.423 1.00 8.74 C ATOM 230 CG PHE A 16 7.995 1.474 20.426 1.00 8.19 C ATOM 231 CD1 PHE A 16 8.679 2.594 19.974 1.00 7.16 C ATOM 232 CD2 PHE A 16 6.701 1.629 20.906 1.00 9.51 C ATOM 233 CE1 PHE A 16 8.089 3.849 20.005 1.00 8.06 C ATOM 234 CE2 PHE A 16 6.102 2.880 20.940 1.00 9.50 C ATOM 235 CZ PHE A 16 6.799 3.994 20.489 1.00 7.86 C ATOM 236 HA PHE A 16 10.519 0.858 21.219 1.00 0.00 H ATOM 237 HB2 PHE A 16 9.027 -0.079 19.417 1.00 0.00 H ATOM 238 HB3 PHE A 16 7.920 -0.628 20.697 1.00 0.00 H ATOM 239 HD2 PHE A 16 6.150 0.758 21.260 1.00 0.00 H ATOM 240 HE2 PHE A 16 5.086 2.989 21.320 1.00 0.00 H ATOM 241 HZ PHE A 16 6.332 4.979 20.516 1.00 0.00 H ATOM 242 HE1 PHE A 16 8.640 4.720 19.649 1.00 0.00 H ATOM 243 HD1 PHE A 16 9.693 2.486 19.590 1.00 0.00 H ATOM 244 H PHE A 16 10.223 -1.953 20.595 1.00 0.00 H ATOM 245 N ASP A 17 9.051 -0.977 23.483 1.00 7.93 N ATOM 246 CA ASP A 17 8.662 -0.930 24.891 1.00 8.56 C ATOM 247 C ASP A 17 9.798 -0.398 25.762 1.00 8.24 C ATOM 248 O ASP A 17 9.561 0.357 26.704 1.00 9.92 O ATOM 249 CB ASP A 17 8.250 -2.314 25.399 1.00 9.29 C ATOM 250 CG ASP A 17 7.827 -2.286 26.857 1.00 12.38 C ATOM 251 OD1 ASP A 17 6.826 -1.604 27.167 1.00 12.62 O ATOM 252 OD2 ASP A 17 8.499 -2.930 27.692 1.00 13.11 O ATOM 253 HA ASP A 17 7.810 -0.254 24.961 1.00 0.00 H ATOM 254 HB2 ASP A 17 7.416 -2.675 24.798 1.00 0.00 H ATOM 255 HB3 ASP A 17 9.095 -2.994 25.291 1.00 0.00 H ATOM 256 H ASP A 17 9.114 -1.891 22.991 1.00 0.00 H ATOM 257 N ASP A 18 11.032 -0.783 25.448 1.00 8.04 N ATOM 258 CA ASP A 18 12.185 -0.305 26.214 1.00 9.49 C ATOM 259 C ASP A 18 12.412 1.186 25.988 1.00 8.59 C ATOM 260 O ASP A 18 12.707 1.932 26.924 1.00 8.85 O ATOM 261 CB ASP A 18 13.446 -1.073 25.818 1.00 11.99 C ATOM 262 CG ASP A 18 13.495 -2.459 26.420 1.00 16.64 C ATOM 263 OD1 ASP A 18 13.308 -2.582 27.645 1.00 19.96 O ATOM 264 OD2 ASP A 18 13.721 -3.423 25.664 1.00 21.27 O ATOM 265 HA ASP A 18 11.973 -0.474 27.270 1.00 0.00 H ATOM 266 HB2 ASP A 18 13.474 -1.162 24.732 1.00 0.00 H ATOM 267 HB3 ASP A 18 14.317 -0.513 26.158 1.00 0.00 H ATOM 268 H ASP A 18 11.180 -1.432 24.649 1.00 0.00 H ATOM 269 N TYR A 19 12.275 1.622 24.741 1.00 7.96 N ATOM 270 CA TYR A 19 12.419 3.037 24.432 1.00 7.16 C ATOM 271 C TYR A 19 11.383 3.837 25.210 1.00 7.39 C ATOM 272 O TYR A 19 11.702 4.860 25.813 1.00 7.77 O ATOM 273 CB TYR A 19 12.248 3.277 22.930 1.00 7.79 C ATOM 274 CG TYR A 19 12.112 4.739 22.569 1.00 7.44 C ATOM 275 CD1 TYR A 19 13.222 5.575 22.533 1.00 6.36 C ATOM 276 CD2 TYR A 19 10.866 5.289 22.290 1.00 7.63 C ATOM 277 CE1 TYR A 19 13.096 6.921 22.236 1.00 5.42 C ATOM 278 CE2 TYR A 19 10.729 6.631 21.991 1.00 6.94 C ATOM 279 CZ TYR A 19 11.844 7.445 21.968 1.00 7.50 C ATOM 280 OH TYR A 19 11.695 8.791 21.693 1.00 8.83 O ATOM 281 HA TYR A 19 13.418 3.362 24.721 1.00 0.00 H ATOM 282 HB3 TYR A 19 11.353 2.753 22.595 1.00 0.00 H ATOM 283 HB2 TYR A 19 13.118 2.872 22.414 1.00 0.00 H ATOM 284 HD2 TYR A 19 9.982 4.651 22.307 1.00 0.00 H ATOM 285 HE2 TYR A 19 9.744 7.045 21.774 1.00 0.00 H ATOM 286 HE1 TYR A 19 13.976 7.563 22.213 1.00 0.00 H ATOM 287 HD1 TYR A 19 14.209 5.163 22.742 1.00 0.00 H ATOM 288 HH TYR A 19 12.582 9.231 21.714 1.00 0.00 H ATOM 289 H TYR A 19 12.063 0.947 23.979 1.00 0.00 H ATOM 290 N MET A 20 10.141 3.364 25.207 1.00 6.56 N ATOM 291 CA MET A 20 9.087 4.023 25.964 1.00 8.22 C ATOM 292 C MET A 20 9.381 4.069 27.467 1.00 8.41 C ATOM 293 O MET A 20 9.134 5.083 28.117 1.00 9.42 O ATOM 294 CB MET A 20 7.743 3.333 25.717 1.00 7.52 C ATOM 295 CG MET A 20 7.133 3.656 24.366 1.00 8.74 C ATOM 296 SD MET A 20 5.365 3.277 24.282 1.00 10.32 S ATOM 297 CE MET A 20 5.415 1.490 24.203 1.00 8.05 C ATOM 298 HA MET A 20 9.042 5.053 25.611 1.00 0.00 H ATOM 299 HB2 MET A 20 7.892 2.255 25.779 1.00 0.00 H ATOM 300 HB3 MET A 20 7.046 3.647 26.494 1.00 0.00 H ATOM 301 HG2 MET A 20 7.650 3.075 23.603 1.00 0.00 H ATOM 302 HG3 MET A 20 7.271 4.719 24.167 1.00 0.00 H ATOM 303 HE1 MET A 20 5.972 1.182 23.318 1.00 0.00 H ATOM 304 HE2 MET A 20 5.905 1.102 25.096 1.00 0.00 H ATOM 305 HE3 MET A 20 4.398 1.101 24.147 1.00 0.00 H ATOM 306 H MET A 20 9.919 2.511 24.656 1.00 0.00 H ATOM 307 N LYS A 21 9.917 2.985 28.021 1.00 9.44 N ATOM 308 CA LYS A 21 10.271 2.983 29.439 1.00 9.67 C ATOM 309 C LYS A 21 11.318 4.050 29.708 1.00 11.15 C ATOM 310 O LYS A 21 11.309 4.694 30.758 1.00 12.32 O ATOM 311 CB LYS A 21 10.835 1.627 29.866 1.00 12.20 C ATOM 312 CG LYS A 21 9.806 0.528 30.053 1.00 13.19 C ATOM 313 CD LYS A 21 10.448 -0.697 30.691 1.00 13.41 C ATOM 314 CE LYS A 21 9.416 -1.776 30.972 1.00 15.60 C ATOM 315 NZ LYS A 21 10.053 -3.069 31.351 1.00 16.73 N ATOM 316 HA LYS A 21 9.365 3.186 30.010 1.00 0.00 H ATOM 317 HB2 LYS A 21 11.542 1.301 29.103 1.00 0.00 H ATOM 318 HB3 LYS A 21 11.359 1.763 30.812 1.00 0.00 H ATOM 319 HG2 LYS A 21 9.005 0.891 30.697 1.00 0.00 H ATOM 320 HG3 LYS A 21 9.393 0.253 29.082 1.00 0.00 H ATOM 321 HD2 LYS A 21 11.204 -1.095 30.014 1.00 0.00 H ATOM 322 HD3 LYS A 21 10.920 -0.403 31.629 1.00 0.00 H ATOM 323 HE2 LYS A 21 8.813 -1.929 30.077 1.00 0.00 H ATOM 324 HE3 LYS A 21 8.774 -1.446 31.789 1.00 0.00 H ATOM 325 HZ1 LYS A 21 10.662 -3.395 30.574 1.00 0.00 H ATOM 326 HZ2 LYS A 21 10.626 -2.934 32.209 1.00 0.00 H ATOM 327 HZ3 LYS A 21 9.314 -3.778 31.534 1.00 0.00 H ATOM 328 H LYS A 21 10.085 2.136 27.444 1.00 0.00 H ATOM 329 N GLU A 22 12.223 4.229 28.749 1.00 10.65 N ATOM 330 CA GLU A 22 13.328 5.165 28.892 1.00 11.81 C ATOM 331 C GLU A 22 12.811 6.603 28.800 1.00 12.54 C ATOM 332 O GLU A 22 13.331 7.508 29.464 1.00 12.99 O ATOM 333 CB GLU A 22 14.364 4.899 27.793 1.00 13.48 C ATOM 334 CG GLU A 22 15.760 5.397 28.104 1.00 16.37 C ATOM 335 CD GLU A 22 16.347 4.760 29.347 1.00 17.99 C ATOM 336 OE1 GLU A 22 15.958 3.623 29.696 1.00 16.70 O ATOM 337 OE2 GLU A 22 17.205 5.407 29.979 1.00 19.96 O ATOM 338 HA GLU A 22 13.797 5.028 29.866 1.00 0.00 H ATOM 339 HB2 GLU A 22 14.416 3.823 27.629 1.00 0.00 H ATOM 340 HB3 GLU A 22 14.024 5.389 26.880 1.00 0.00 H ATOM 341 HG2 GLU A 22 16.408 5.170 27.257 1.00 0.00 H ATOM 342 HG3 GLU A 22 15.720 6.476 28.251 1.00 0.00 H ATOM 343 H GLU A 22 12.138 3.682 27.869 1.00 0.00 H ATOM 344 N VAL A 23 11.778 6.800 27.982 1.00 11.24 N ATOM 345 CA VAL A 23 11.126 8.097 27.834 1.00 11.33 C ATOM 346 C VAL A 23 10.303 8.452 29.070 1.00 11.90 C ATOM 347 O VAL A 23 10.094 9.629 29.365 1.00 14.11 O ATOM 348 CB VAL A 23 10.197 8.117 26.583 1.00 11.54 C ATOM 349 CG1 VAL A 23 9.333 9.369 26.580 1.00 12.11 C ATOM 350 CG2 VAL A 23 11.033 8.080 25.314 1.00 10.90 C ATOM 351 HA VAL A 23 11.917 8.837 27.710 1.00 0.00 H ATOM 352 HB VAL A 23 9.551 7.240 26.621 1.00 0.00 H ATOM 353 HG11 VAL A 23 8.717 9.386 27.479 1.00 0.00 H ATOM 354 HG12 VAL A 23 9.973 10.251 26.560 1.00 0.00 H ATOM 355 HG13 VAL A 23 8.692 9.364 25.699 1.00 0.00 H ATOM 356 HG21 VAL A 23 11.690 8.949 25.288 1.00 0.00 H ATOM 357 HG22 VAL A 23 11.632 7.170 25.302 1.00 0.00 H ATOM 358 HG23 VAL A 23 10.374 8.094 24.446 1.00 0.00 H ATOM 359 H VAL A 23 11.422 5.996 27.426 1.00 0.00 H ATOM 360 N GLY A 24 9.838 7.433 29.788 1.00 10.71 N ATOM 361 CA GLY A 24 9.089 7.670 31.011 1.00 10.11 C ATOM 362 C GLY A 24 7.615 7.317 30.896 1.00 10.96 C ATOM 363 O GLY A 24 6.814 7.693 31.749 1.00 11.71 O ATOM 364 HA3 GLY A 24 9.172 8.726 31.268 1.00 0.00 H ATOM 365 HA2 GLY A 24 9.527 7.068 31.807 1.00 0.00 H ATOM 366 H GLY A 24 10.012 6.458 29.471 1.00 0.00 H ATOM 367 N VAL A 25 7.255 6.593 29.841 1.00 10.07 N ATOM 368 CA VAL A 25 5.864 6.216 29.605 1.00 8.91 C ATOM 369 C VAL A 25 5.438 5.145 30.609 1.00 9.11 C ATOM 370 O VAL A 25 6.146 4.159 30.813 1.00 8.19 O ATOM 371 CB VAL A 25 5.671 5.655 28.178 1.00 8.68 C ATOM 372 CG1 VAL A 25 4.202 5.428 27.906 1.00 8.52 C ATOM 373 CG2 VAL A 25 6.258 6.615 27.149 1.00 8.99 C ATOM 374 HA VAL A 25 5.254 7.112 29.722 1.00 0.00 H ATOM 375 HB VAL A 25 6.194 4.702 28.100 1.00 0.00 H ATOM 376 HG11 VAL A 25 3.806 4.715 28.629 1.00 0.00 H ATOM 377 HG12 VAL A 25 3.667 6.373 27.996 1.00 0.00 H ATOM 378 HG13 VAL A 25 4.077 5.033 26.898 1.00 0.00 H ATOM 379 HG21 VAL A 25 5.755 7.579 27.225 1.00 0.00 H ATOM 380 HG22 VAL A 25 7.323 6.744 27.341 1.00 0.00 H ATOM 381 HG23 VAL A 25 6.114 6.206 26.149 1.00 0.00 H ATOM 382 H VAL A 25 7.984 6.287 29.165 1.00 0.00 H ATOM 383 N GLY A 26 4.277 5.341 31.224 1.00 8.89 N ATOM 384 CA GLY A 26 3.833 4.438 32.272 1.00 8.98 C ATOM 385 C GLY A 26 3.311 3.117 31.738 1.00 10.45 C ATOM 386 O GLY A 26 3.044 2.983 30.544 1.00 9.67 O ATOM 387 HA3 GLY A 26 3.036 4.924 32.835 1.00 0.00 H ATOM 388 HA2 GLY A 26 4.674 4.236 32.936 1.00 0.00 H ATOM 389 H GLY A 26 3.680 6.148 30.953 1.00 0.00 H ATOM 390 N PHE A 27 3.146 2.147 32.634 1.00 9.39 N ATOM 391 CA PHE A 27 2.823 0.775 32.255 1.00 9.79 C ATOM 392 C PHE A 27 1.663 0.644 31.270 1.00 9.87 C ATOM 393 O PHE A 27 1.816 0.051 30.198 1.00 10.03 O ATOM 394 CB PHE A 27 2.503 -0.056 33.503 1.00 11.07 C ATOM 395 CG PHE A 27 2.143 -1.481 33.200 1.00 10.43 C ATOM 396 CD1 PHE A 27 0.815 -1.875 33.115 1.00 11.80 C ATOM 397 CD2 PHE A 27 3.133 -2.428 32.986 1.00 10.63 C ATOM 398 CE1 PHE A 27 0.482 -3.194 32.818 1.00 9.76 C ATOM 399 CE2 PHE A 27 2.806 -3.748 32.688 1.00 11.14 C ATOM 400 CZ PHE A 27 1.480 -4.128 32.605 1.00 9.49 C ATOM 401 HA PHE A 27 3.712 0.404 31.745 1.00 0.00 H ATOM 402 HB2 PHE A 27 3.378 -0.052 34.154 1.00 0.00 H ATOM 403 HB3 PHE A 27 1.664 0.409 34.021 1.00 0.00 H ATOM 404 HD2 PHE A 27 4.181 -2.135 33.052 1.00 0.00 H ATOM 405 HE2 PHE A 27 3.595 -4.481 32.520 1.00 0.00 H ATOM 406 HZ PHE A 27 1.221 -5.161 32.372 1.00 0.00 H ATOM 407 HE1 PHE A 27 -0.565 -3.491 32.753 1.00 0.00 H ATOM 408 HD1 PHE A 27 0.024 -1.144 33.283 1.00 0.00 H ATOM 409 H PHE A 27 3.251 2.375 33.643 1.00 0.00 H ATOM 410 N ALA A 28 0.506 1.184 31.637 1.00 9.65 N ATOM 411 CA ALA A 28 -0.717 0.917 30.887 1.00 10.09 C ATOM 412 C ALA A 28 -0.645 1.515 29.489 1.00 9.56 C ATOM 413 O ALA A 28 -1.052 0.884 28.515 1.00 8.82 O ATOM 414 CB ALA A 28 -1.925 1.467 31.631 1.00 9.88 C ATOM 415 HA ALA A 28 -0.822 -0.164 30.790 1.00 0.00 H ATOM 416 HB1 ALA A 28 -1.996 0.990 32.609 1.00 0.00 H ATOM 417 HB2 ALA A 28 -1.813 2.544 31.757 1.00 0.00 H ATOM 418 HB3 ALA A 28 -2.829 1.259 31.058 1.00 0.00 H ATOM 419 H ALA A 28 0.471 1.805 32.470 1.00 0.00 H ATOM 420 N THR A 29 -0.120 2.732 29.393 1.00 9.76 N ATOM 421 CA THR A 29 0.070 3.370 28.094 1.00 10.39 C ATOM 422 C THR A 29 1.044 2.555 27.247 1.00 9.71 C ATOM 423 O THR A 29 0.817 2.348 26.051 1.00 10.31 O ATOM 424 CB THR A 29 0.609 4.807 28.255 1.00 10.42 C ATOM 425 OG1 THR A 29 -0.332 5.591 28.998 1.00 12.37 O ATOM 426 CG2 THR A 29 0.830 5.453 26.897 1.00 11.76 C ATOM 427 HA THR A 29 -0.899 3.415 27.597 1.00 0.00 H ATOM 428 HB THR A 29 1.561 4.762 28.785 1.00 0.00 H ATOM 429 HG1 THR A 29 -0.464 5.186 29.892 1.00 0.00 H ATOM 430 HG23 THR A 29 1.545 4.861 26.326 1.00 0.00 H ATOM 431 HG21 THR A 29 -0.117 5.498 26.359 1.00 0.00 H ATOM 432 HG22 THR A 29 1.219 6.462 27.035 1.00 0.00 H ATOM 433 H THR A 29 0.160 3.238 30.257 1.00 0.00 H ATOM 434 N ARG A 30 2.122 2.080 27.865 1.00 9.11 N ATOM 435 CA ARG A 30 3.099 1.260 27.150 1.00 9.12 C ATOM 436 C ARG A 30 2.461 -0.004 26.580 1.00 9.49 C ATOM 437 O ARG A 30 2.739 -0.389 25.447 1.00 7.78 O ATOM 438 CB ARG A 30 4.261 0.863 28.071 1.00 8.83 C ATOM 439 CG ARG A 30 5.264 1.974 28.343 1.00 8.62 C ATOM 440 CD ARG A 30 6.646 1.414 28.671 1.00 7.56 C ATOM 441 NE ARG A 30 6.577 0.242 29.540 1.00 8.61 N ATOM 442 CZ ARG A 30 6.411 0.298 30.858 1.00 9.75 C ATOM 443 NH1 ARG A 30 6.301 1.474 31.463 1.00 10.34 N ATOM 444 NH2 ARG A 30 6.344 -0.821 31.571 1.00 8.49 N ATOM 445 HA ARG A 30 3.478 1.865 26.326 1.00 0.00 H ATOM 446 HB2 ARG A 30 3.844 0.541 29.025 1.00 0.00 H ATOM 447 HB3 ARG A 30 4.792 0.031 27.609 1.00 0.00 H ATOM 448 HG2 ARG A 30 5.339 2.608 27.459 1.00 0.00 H ATOM 449 HG3 ARG A 30 4.914 2.569 29.186 1.00 0.00 H ATOM 450 HD2 ARG A 30 7.229 2.188 29.171 1.00 0.00 H ATOM 451 HD3 ARG A 30 7.140 1.133 27.741 1.00 0.00 H ATOM 452 HE ARG A 30 6.663 -0.696 29.100 1.00 0.00 H ATOM 453 HH12 ARG A 30 6.171 1.518 32.494 1.00 0.00 H ATOM 454 HH11 ARG A 30 6.345 2.351 30.906 1.00 0.00 H ATOM 455 HH22 ARG A 30 6.214 -0.774 32.602 1.00 0.00 H ATOM 456 HH21 ARG A 30 6.421 -1.744 31.098 1.00 0.00 H ATOM 457 H ARG A 30 2.272 2.295 28.871 1.00 0.00 H ATOM 458 N LYS A 31 1.614 -0.649 27.374 1.00 8.89 N ATOM 459 CA LYS A 31 0.947 -1.876 26.946 1.00 10.13 C ATOM 460 C LYS A 31 0.033 -1.632 25.749 1.00 10.22 C ATOM 461 O LYS A 31 0.074 -2.369 24.762 1.00 9.35 O ATOM 462 CB LYS A 31 0.120 -2.457 28.095 1.00 10.28 C ATOM 463 CG LYS A 31 0.922 -2.752 29.353 1.00 12.74 C ATOM 464 CD LYS A 31 1.891 -3.902 29.147 1.00 14.88 C ATOM 465 CE LYS A 31 3.319 -3.401 28.980 1.00 17.11 C ATOM 466 NZ LYS A 31 4.270 -4.535 28.820 1.00 19.06 N ATOM 467 HA LYS A 31 1.724 -2.582 26.651 1.00 0.00 H ATOM 468 HB2 LYS A 31 -0.663 -1.743 28.348 1.00 0.00 H ATOM 469 HB3 LYS A 31 -0.335 -3.387 27.753 1.00 0.00 H ATOM 470 HG2 LYS A 31 1.485 -1.861 29.630 1.00 0.00 H ATOM 471 HG3 LYS A 31 0.234 -3.010 30.158 1.00 0.00 H ATOM 472 HD2 LYS A 31 1.846 -4.564 30.012 1.00 0.00 H ATOM 473 HD3 LYS A 31 1.602 -4.454 28.253 1.00 0.00 H ATOM 474 HE2 LYS A 31 3.599 -2.823 29.861 1.00 0.00 H ATOM 475 HE3 LYS A 31 3.372 -2.764 28.097 1.00 0.00 H ATOM 476 HZ1 LYS A 31 4.227 -5.143 29.662 1.00 0.00 H ATOM 477 HZ2 LYS A 31 4.010 -5.088 27.978 1.00 0.00 H ATOM 478 HZ3 LYS A 31 5.235 -4.163 28.708 1.00 0.00 H ATOM 479 H LYS A 31 1.421 -0.271 28.324 1.00 0.00 H ATOM 480 N VAL A 32 -0.791 -0.597 25.843 1.00 10.73 N ATOM 481 CA VAL A 32 -1.768 -0.316 24.803 1.00 10.81 C ATOM 482 C VAL A 32 -1.098 0.184 23.529 1.00 10.87 C ATOM 483 O VAL A 32 -1.472 -0.213 22.429 1.00 10.52 O ATOM 484 CB VAL A 32 -2.796 0.734 25.265 1.00 11.58 C ATOM 485 CG1 VAL A 32 -3.706 1.103 24.104 1.00 12.19 C ATOM 486 CG2 VAL A 32 -3.627 0.180 26.418 1.00 12.54 C ATOM 487 HA VAL A 32 -2.279 -1.256 24.597 1.00 0.00 H ATOM 488 HB VAL A 32 -2.268 1.624 25.606 1.00 0.00 H ATOM 489 HG11 VAL A 32 -3.107 1.515 23.291 1.00 0.00 H ATOM 490 HG12 VAL A 32 -4.229 0.212 23.756 1.00 0.00 H ATOM 491 HG13 VAL A 32 -4.432 1.846 24.435 1.00 0.00 H ATOM 492 HG21 VAL A 32 -4.153 -0.716 26.088 1.00 0.00 H ATOM 493 HG22 VAL A 32 -2.970 -0.069 27.251 1.00 0.00 H ATOM 494 HG23 VAL A 32 -4.350 0.931 26.736 1.00 0.00 H ATOM 495 H VAL A 32 -0.738 0.025 26.675 1.00 0.00 H ATOM 496 N ALA A 33 -0.104 1.054 23.677 1.00 9.48 N ATOM 497 CA ALA A 33 0.593 1.591 22.513 1.00 9.72 C ATOM 498 C ALA A 33 1.413 0.498 21.827 1.00 9.16 C ATOM 499 O ALA A 33 1.458 0.426 20.600 1.00 9.01 O ATOM 500 CB ALA A 33 1.497 2.743 22.930 1.00 8.10 C ATOM 501 HA ALA A 33 -0.148 1.962 21.805 1.00 0.00 H ATOM 502 HB1 ALA A 33 0.894 3.531 23.382 1.00 0.00 H ATOM 503 HB2 ALA A 33 2.230 2.385 23.653 1.00 0.00 H ATOM 504 HB3 ALA A 33 2.012 3.135 22.053 1.00 0.00 H ATOM 505 H ALA A 33 0.180 1.355 24.631 1.00 0.00 H ATOM 506 N GLY A 34 2.062 -0.346 22.624 1.00 8.42 N ATOM 507 CA GLY A 34 2.835 -1.439 22.066 1.00 10.69 C ATOM 508 C GLY A 34 2.012 -2.352 21.174 1.00 11.47 C ATOM 509 O GLY A 34 2.525 -2.904 20.199 1.00 10.09 O ATOM 510 HA3 GLY A 34 3.244 -2.030 22.886 1.00 0.00 H ATOM 511 HA2 GLY A 34 3.652 -1.022 21.477 1.00 0.00 H ATOM 512 H GLY A 34 2.015 -0.221 23.655 1.00 0.00 H ATOM 513 N MET A 35 0.731 -2.505 21.503 1.00 11.17 N ATOM 514 CA MET A 35 -0.168 -3.369 20.742 1.00 11.05 C ATOM 515 C MET A 35 -0.640 -2.732 19.437 1.00 10.10 C ATOM 516 O MET A 35 -0.966 -3.434 18.481 1.00 9.94 O ATOM 517 CB MET A 35 -1.399 -3.729 21.582 1.00 11.86 C ATOM 518 CG MET A 35 -1.164 -4.802 22.627 1.00 12.24 C ATOM 519 SD MET A 35 -1.044 -6.451 21.910 1.00 14.26 S ATOM 520 CE MET A 35 -2.572 -6.576 21.049 1.00 12.72 C ATOM 521 HA MET A 35 0.405 -4.262 20.495 1.00 0.00 H ATOM 522 HB2 MET A 35 -1.738 -2.827 22.092 1.00 0.00 H ATOM 523 HB3 MET A 35 -2.180 -4.078 20.907 1.00 0.00 H ATOM 524 HG2 MET A 35 -1.993 -4.788 23.335 1.00 0.00 H ATOM 525 HG3 MET A 35 -0.235 -4.581 23.153 1.00 0.00 H ATOM 526 HE1 MET A 35 -3.395 -6.473 21.756 1.00 0.00 H ATOM 527 HE2 MET A 35 -2.632 -5.785 20.301 1.00 0.00 H ATOM 528 HE3 MET A 35 -2.632 -7.547 20.558 1.00 0.00 H ATOM 529 H MET A 35 0.359 -1.993 22.328 1.00 0.00 H ATOM 530 N ALA A 36 -0.690 -1.405 19.398 1.00 10.65 N ATOM 531 CA ALA A 36 -1.243 -0.716 18.237 1.00 9.92 C ATOM 532 C ALA A 36 -0.372 -0.894 16.992 1.00 9.99 C ATOM 533 O ALA A 36 0.828 -1.143 17.085 1.00 10.18 O ATOM 534 CB ALA A 36 -1.419 0.759 18.547 1.00 9.69 C ATOM 535 HA ALA A 36 -2.213 -1.163 18.020 1.00 0.00 H ATOM 536 HB1 ALA A 36 -2.099 0.873 19.391 1.00 0.00 H ATOM 537 HB2 ALA A 36 -0.452 1.194 18.797 1.00 0.00 H ATOM 538 HB3 ALA A 36 -1.832 1.265 17.675 1.00 0.00 H ATOM 539 H ALA A 36 -0.332 -0.852 20.203 1.00 0.00 H ATOM 540 N LYS A 37 -0.996 -0.775 15.825 1.00 9.76 N ATOM 541 CA LYS A 37 -0.287 -0.861 14.556 1.00 10.04 C ATOM 542 C LYS A 37 -0.583 0.398 13.755 1.00 9.66 C ATOM 543 O LYS A 37 -1.328 0.367 12.776 1.00 10.44 O ATOM 544 CB LYS A 37 -0.745 -2.100 13.784 1.00 10.30 C ATOM 545 CG LYS A 37 -0.380 -3.411 14.473 1.00 15.81 C ATOM 546 CD LYS A 37 1.130 -3.646 14.458 1.00 17.63 C ATOM 547 CE LYS A 37 1.497 -5.007 15.042 1.00 18.88 C ATOM 548 NZ LYS A 37 1.327 -5.049 16.527 1.00 21.99 N ATOM 549 HA LYS A 37 0.786 -0.945 14.731 1.00 0.00 H ATOM 550 HB2 LYS A 37 -1.828 -2.057 13.673 1.00 0.00 H ATOM 551 HB3 LYS A 37 -0.279 -2.086 12.799 1.00 0.00 H ATOM 552 HG2 LYS A 37 -0.724 -3.377 15.507 1.00 0.00 H ATOM 553 HG3 LYS A 37 -0.873 -4.234 13.955 1.00 0.00 H ATOM 554 HD2 LYS A 37 1.485 -3.596 13.429 1.00 0.00 H ATOM 555 HD3 LYS A 37 1.615 -2.867 15.046 1.00 0.00 H ATOM 556 HE2 LYS A 37 2.538 -5.223 14.801 1.00 0.00 H ATOM 557 HE3 LYS A 37 0.856 -5.766 14.593 1.00 0.00 H ATOM 558 HZ1 LYS A 37 1.940 -4.333 16.965 1.00 0.00 H ATOM 559 HZ2 LYS A 37 0.335 -4.851 16.767 1.00 0.00 H ATOM 560 HZ3 LYS A 37 1.588 -5.993 16.878 1.00 0.00 H ATOM 561 H LYS A 37 -2.024 -0.615 15.818 1.00 0.00 H ATOM 562 N PRO A 38 -0.005 1.531 14.177 1.00 10.05 N ATOM 563 CA PRO A 38 -0.342 2.832 13.594 1.00 8.65 C ATOM 564 C PRO A 38 0.070 2.925 12.138 1.00 9.08 C ATOM 565 O PRO A 38 0.985 2.229 11.694 1.00 7.32 O ATOM 566 CB PRO A 38 0.426 3.826 14.459 1.00 10.09 C ATOM 567 CG PRO A 38 1.579 3.040 14.985 1.00 10.68 C ATOM 568 CD PRO A 38 1.062 1.638 15.185 1.00 8.68 C ATOM 569 HA PRO A 38 -1.416 3.019 13.589 1.00 0.00 H ATOM 570 HD3 PRO A 38 1.846 0.902 15.006 1.00 0.00 H ATOM 571 HD2 PRO A 38 0.665 1.506 16.192 1.00 0.00 H ATOM 572 HG3 PRO A 38 1.923 3.457 15.932 1.00 0.00 H ATOM 573 HG2 PRO A 38 2.400 3.044 14.268 1.00 0.00 H ATOM 574 HB2 PRO A 38 0.773 4.670 13.863 1.00 0.00 H ATOM 575 HB3 PRO A 38 -0.198 4.191 15.275 1.00 0.00 H ATOM 576 N ASN A 39 -0.610 3.789 11.394 1.00 8.62 N ATOM 577 CA ASN A 39 -0.118 4.173 10.082 1.00 11.50 C ATOM 578 C ASN A 39 0.555 5.537 10.201 1.00 11.12 C ATOM 579 O ASN A 39 0.583 6.139 11.279 1.00 11.03 O ATOM 580 CB ASN A 39 -1.271 4.234 9.075 1.00 13.95 C ATOM 581 CG ASN A 39 -2.284 5.305 9.412 1.00 14.91 C ATOM 582 OD1 ASN A 39 -2.055 6.137 10.289 1.00 16.78 O ATOM 583 ND2 ASN A 39 -3.416 5.291 8.715 1.00 16.59 N ATOM 584 HA ASN A 39 0.599 3.434 9.725 1.00 0.00 H ATOM 585 HB2 ASN A 39 -0.861 4.440 8.087 1.00 0.00 H ATOM 586 HB3 ASN A 39 -1.775 3.268 9.063 1.00 0.00 H ATOM 587 HD22 ASN A 39 -3.567 4.568 7.982 1.00 0.00 H ATOM 588 HD21 ASN A 39 -4.151 6.003 8.902 1.00 0.00 H ATOM 589 H ASN A 39 -1.499 4.193 11.752 1.00 0.00 H ATOM 590 N MET A 40 1.114 6.013 9.099 1.00 10.47 N ATOM 591 CA MET A 40 1.558 7.396 9.010 1.00 11.18 C ATOM 592 C MET A 40 1.095 7.919 7.666 1.00 10.32 C ATOM 593 O MET A 40 1.254 7.244 6.649 1.00 12.50 O ATOM 594 CB MET A 40 3.086 7.489 9.094 1.00 10.39 C ATOM 595 CG MET A 40 3.654 7.551 10.499 1.00 11.54 C ATOM 596 SD MET A 40 5.380 8.090 10.467 1.00 11.41 S ATOM 597 CE MET A 40 6.124 6.774 9.487 1.00 10.18 C ATOM 598 HA MET A 40 1.146 7.978 9.834 1.00 0.00 H ATOM 599 HB2 MET A 40 3.505 6.613 8.599 1.00 0.00 H ATOM 600 HB3 MET A 40 3.399 8.388 8.564 1.00 0.00 H ATOM 601 HG2 MET A 40 3.596 6.562 10.953 1.00 0.00 H ATOM 602 HG3 MET A 40 3.070 8.256 11.091 1.00 0.00 H ATOM 603 HE1 MET A 40 5.973 5.819 9.990 1.00 0.00 H ATOM 604 HE2 MET A 40 5.656 6.746 8.503 1.00 0.00 H ATOM 605 HE3 MET A 40 7.192 6.964 9.377 1.00 0.00 H ATOM 606 H MET A 40 1.238 5.385 8.279 1.00 0.00 H ATOM 607 N ILE A 41 0.508 9.110 7.671 1.00 9.62 N ATOM 608 CA ILE A 41 0.110 9.791 6.448 1.00 9.51 C ATOM 609 C ILE A 41 0.969 11.042 6.373 1.00 8.91 C ATOM 610 O ILE A 41 0.754 11.991 7.127 1.00 10.14 O ATOM 611 CB ILE A 41 -1.367 10.237 6.497 1.00 10.73 C ATOM 612 CG1 ILE A 41 -2.265 9.067 6.911 1.00 12.50 C ATOM 613 CG2 ILE A 41 -1.781 10.783 5.134 1.00 10.28 C ATOM 614 CD1 ILE A 41 -2.276 7.924 5.934 1.00 15.83 C ATOM 615 HA ILE A 41 0.232 9.123 5.595 1.00 0.00 H ATOM 616 HB ILE A 41 -1.480 11.026 7.241 1.00 0.00 H ATOM 617 HG12 ILE A 41 -1.916 8.692 7.873 1.00 0.00 H ATOM 618 HG13 ILE A 41 -3.285 9.438 7.015 1.00 0.00 H ATOM 619 HD11 ILE A 41 -2.635 8.277 4.967 1.00 0.00 H ATOM 620 HD12 ILE A 41 -1.265 7.530 5.826 1.00 0.00 H ATOM 621 HD13 ILE A 41 -2.936 7.139 6.303 1.00 0.00 H ATOM 622 HG21 ILE A 41 -1.152 11.636 4.880 1.00 0.00 H ATOM 623 HG22 ILE A 41 -1.661 10.004 4.381 1.00 0.00 H ATOM 624 HG23 ILE A 41 -2.824 11.097 5.171 1.00 0.00 H ATOM 625 H ILE A 41 0.326 9.574 8.584 1.00 0.00 H ATOM 626 N ILE A 42 1.953 11.039 5.485 1.00 7.49 N ATOM 627 CA ILE A 42 2.884 12.153 5.398 1.00 7.73 C ATOM 628 C ILE A 42 2.599 12.983 4.159 1.00 7.37 C ATOM 629 O ILE A 42 2.518 12.451 3.054 1.00 9.17 O ATOM 630 CB ILE A 42 4.342 11.655 5.349 1.00 7.45 C ATOM 631 CG1 ILE A 42 4.673 10.918 6.655 1.00 9.12 C ATOM 632 CG2 ILE A 42 5.287 12.830 5.137 1.00 6.69 C ATOM 633 CD1 ILE A 42 6.042 10.257 6.673 1.00 8.41 C ATOM 634 HA ILE A 42 2.751 12.766 6.289 1.00 0.00 H ATOM 635 HB ILE A 42 4.465 10.965 4.515 1.00 0.00 H ATOM 636 HG12 ILE A 42 4.630 11.637 7.473 1.00 0.00 H ATOM 637 HG13 ILE A 42 3.919 10.146 6.812 1.00 0.00 H ATOM 638 HD11 ILE A 42 6.100 9.523 5.869 1.00 0.00 H ATOM 639 HD12 ILE A 42 6.812 11.015 6.531 1.00 0.00 H ATOM 640 HD13 ILE A 42 6.192 9.760 7.632 1.00 0.00 H ATOM 641 HG21 ILE A 42 5.045 13.324 4.196 1.00 0.00 H ATOM 642 HG22 ILE A 42 5.176 13.537 5.959 1.00 0.00 H ATOM 643 HG23 ILE A 42 6.314 12.467 5.104 1.00 0.00 H ATOM 644 H ILE A 42 2.061 10.229 4.842 1.00 0.00 H ATOM 645 N SER A 43 2.440 14.288 4.349 1.00 7.01 N ATOM 646 CA SER A 43 2.145 15.183 3.240 1.00 7.72 C ATOM 647 C SER A 43 2.967 16.461 3.336 1.00 8.16 C ATOM 648 O SER A 43 3.424 16.835 4.416 1.00 8.23 O ATOM 649 CB SER A 43 0.646 15.514 3.208 1.00 6.76 C ATOM 650 OG SER A 43 0.203 16.088 4.429 1.00 9.40 O ATOM 651 HA SER A 43 2.414 14.676 2.313 1.00 0.00 H ATOM 652 HB2 SER A 43 0.086 14.597 3.026 1.00 0.00 H ATOM 653 HB3 SER A 43 0.458 16.219 2.398 1.00 0.00 H ATOM 654 HG SER A 43 0.364 15.451 5.169 1.00 0.00 H ATOM 655 H SER A 43 2.528 14.678 5.309 1.00 0.00 H ATOM 656 N VAL A 44 3.164 17.115 2.195 1.00 9.00 N ATOM 657 CA VAL A 44 3.877 18.385 2.138 1.00 9.60 C ATOM 658 C VAL A 44 3.061 19.392 1.334 1.00 10.96 C ATOM 659 O VAL A 44 2.600 19.092 0.231 1.00 11.23 O ATOM 660 CB VAL A 44 5.257 18.234 1.452 1.00 9.93 C ATOM 661 CG1 VAL A 44 5.974 19.577 1.430 1.00 11.31 C ATOM 662 CG2 VAL A 44 6.096 17.192 2.176 1.00 10.27 C ATOM 663 HA VAL A 44 4.023 18.725 3.163 1.00 0.00 H ATOM 664 HB VAL A 44 5.108 17.900 0.425 1.00 0.00 H ATOM 665 HG11 VAL A 44 5.374 20.299 0.877 1.00 0.00 H ATOM 666 HG12 VAL A 44 6.116 19.928 2.452 1.00 0.00 H ATOM 667 HG13 VAL A 44 6.944 19.462 0.946 1.00 0.00 H ATOM 668 HG21 VAL A 44 6.244 17.502 3.210 1.00 0.00 H ATOM 669 HG22 VAL A 44 5.580 16.232 2.153 1.00 0.00 H ATOM 670 HG23 VAL A 44 7.063 17.098 1.681 1.00 0.00 H ATOM 671 H VAL A 44 2.796 16.706 1.312 1.00 0.00 H ATOM 672 N ASN A 45 2.894 20.587 1.887 1.00 10.10 N ATOM 673 CA ASN A 45 2.198 21.664 1.193 1.00 9.17 C ATOM 674 C ASN A 45 3.040 22.933 1.331 1.00 8.50 C ATOM 675 O ASN A 45 3.101 23.536 2.403 1.00 7.91 O ATOM 676 CB ASN A 45 0.809 21.857 1.814 1.00 9.11 C ATOM 677 CG ASN A 45 -0.002 22.940 1.129 1.00 8.08 C ATOM 678 OD1 ASN A 45 -1.220 22.825 1.007 1.00 10.38 O ATOM 679 ND2 ASN A 45 0.665 24.000 0.689 1.00 7.18 N ATOM 680 HA ASN A 45 2.065 21.428 0.137 1.00 0.00 H ATOM 681 HB2 ASN A 45 0.263 20.916 1.743 1.00 0.00 H ATOM 682 HB3 ASN A 45 0.932 22.126 2.863 1.00 0.00 H ATOM 683 HD22 ASN A 45 1.696 24.054 0.814 1.00 0.00 H ATOM 684 HD21 ASN A 45 0.157 24.776 0.219 1.00 0.00 H ATOM 685 H ASN A 45 3.270 20.760 2.841 1.00 0.00 H ATOM 686 N GLY A 46 3.700 23.326 0.247 1.00 8.81 N ATOM 687 CA GLY A 46 4.673 24.396 0.344 1.00 9.23 C ATOM 688 C GLY A 46 5.814 24.002 1.263 1.00 10.35 C ATOM 689 O GLY A 46 6.445 22.963 1.060 1.00 11.00 O ATOM 690 HA3 GLY A 46 4.186 25.288 0.739 1.00 0.00 H ATOM 691 HA2 GLY A 46 5.070 24.610 -0.648 1.00 0.00 H ATOM 692 H GLY A 46 3.519 22.867 -0.669 1.00 0.00 H ATOM 693 N ASP A 47 6.075 24.821 2.280 1.00 10.04 N ATOM 694 CA ASP A 47 7.147 24.536 3.226 1.00 10.70 C ATOM 695 C ASP A 47 6.636 23.759 4.438 1.00 10.97 C ATOM 696 O ASP A 47 7.407 23.452 5.351 1.00 10.92 O ATOM 697 CB ASP A 47 7.797 25.829 3.722 1.00 13.39 C ATOM 698 CG ASP A 47 8.420 26.644 2.608 1.00 14.31 C ATOM 699 OD1 ASP A 47 8.386 27.888 2.707 1.00 18.33 O ATOM 700 OD2 ASP A 47 8.944 26.057 1.645 1.00 16.33 O ATOM 701 HA ASP A 47 7.880 23.931 2.693 1.00 0.00 H ATOM 702 HB2 ASP A 47 7.035 26.435 4.212 1.00 0.00 H ATOM 703 HB3 ASP A 47 8.574 25.573 4.442 1.00 0.00 H ATOM 704 H ASP A 47 5.503 25.681 2.402 1.00 0.00 H ATOM 705 N VAL A 48 5.339 23.459 4.467 1.00 8.75 N ATOM 706 CA VAL A 48 4.764 22.819 5.644 1.00 7.55 C ATOM 707 C VAL A 48 4.645 21.319 5.455 1.00 7.09 C ATOM 708 O VAL A 48 4.003 20.840 4.520 1.00 7.67 O ATOM 709 CB VAL A 48 3.367 23.382 5.995 1.00 7.92 C ATOM 710 CG1 VAL A 48 2.847 22.715 7.261 1.00 7.97 C ATOM 711 CG2 VAL A 48 3.444 24.887 6.192 1.00 7.77 C ATOM 712 HA VAL A 48 5.448 23.036 6.465 1.00 0.00 H ATOM 713 HB VAL A 48 2.682 23.172 5.174 1.00 0.00 H ATOM 714 HG11 VAL A 48 2.773 21.640 7.100 1.00 0.00 H ATOM 715 HG12 VAL A 48 3.534 22.914 8.083 1.00 0.00 H ATOM 716 HG13 VAL A 48 1.863 23.116 7.503 1.00 0.00 H ATOM 717 HG21 VAL A 48 4.135 25.111 7.005 1.00 0.00 H ATOM 718 HG22 VAL A 48 3.798 25.355 5.273 1.00 0.00 H ATOM 719 HG23 VAL A 48 2.454 25.271 6.439 1.00 0.00 H ATOM 720 H VAL A 48 4.736 23.681 3.650 1.00 0.00 H ATOM 721 N ILE A 49 5.280 20.584 6.357 1.00 6.10 N ATOM 722 CA ILE A 49 5.231 19.138 6.343 1.00 7.33 C ATOM 723 C ILE A 49 4.235 18.708 7.408 1.00 6.85 C ATOM 724 O ILE A 49 4.195 19.273 8.499 1.00 7.24 O ATOM 725 CB ILE A 49 6.623 18.544 6.657 1.00 8.67 C ATOM 726 CG1 ILE A 49 7.653 19.110 5.673 1.00 10.32 C ATOM 727 CG2 ILE A 49 6.578 17.023 6.571 1.00 8.22 C ATOM 728 CD1 ILE A 49 9.089 18.749 6.001 1.00 9.29 C ATOM 729 HA ILE A 49 4.930 18.780 5.359 1.00 0.00 H ATOM 730 HB ILE A 49 6.913 18.819 7.671 1.00 0.00 H ATOM 731 HG12 ILE A 49 7.423 18.728 4.679 1.00 0.00 H ATOM 732 HG13 ILE A 49 7.565 20.196 5.672 1.00 0.00 H ATOM 733 HD11 ILE A 49 9.343 19.135 6.988 1.00 0.00 H ATOM 734 HD12 ILE A 49 9.200 17.665 5.994 1.00 0.00 H ATOM 735 HD13 ILE A 49 9.752 19.189 5.256 1.00 0.00 H ATOM 736 HG21 ILE A 49 5.855 16.641 7.292 1.00 0.00 H ATOM 737 HG22 ILE A 49 6.281 16.726 5.565 1.00 0.00 H ATOM 738 HG23 ILE A 49 7.565 16.618 6.794 1.00 0.00 H ATOM 739 H ILE A 49 5.831 21.062 7.098 1.00 0.00 H ATOM 740 N THR A 50 3.412 17.723 7.083 1.00 6.68 N ATOM 741 CA THR A 50 2.490 17.176 8.063 1.00 6.62 C ATOM 742 C THR A 50 2.720 15.684 8.198 1.00 7.06 C ATOM 743 O THR A 50 2.764 14.963 7.202 1.00 6.91 O ATOM 744 CB THR A 50 1.017 17.411 7.659 1.00 6.36 C ATOM 745 OG1 THR A 50 0.741 18.815 7.649 1.00 8.51 O ATOM 746 CG2 THR A 50 0.083 16.731 8.651 1.00 7.90 C ATOM 747 HA THR A 50 2.676 17.685 9.009 1.00 0.00 H ATOM 748 HB THR A 50 0.856 16.992 6.666 1.00 0.00 H ATOM 749 HG1 THR A 50 0.899 19.188 8.553 1.00 0.00 H ATOM 750 HG23 THR A 50 0.287 15.660 8.665 1.00 0.00 H ATOM 751 HG21 THR A 50 0.247 17.146 9.645 1.00 0.00 H ATOM 752 HG22 THR A 50 -0.951 16.902 8.350 1.00 0.00 H ATOM 753 H THR A 50 3.426 17.337 6.117 1.00 0.00 H ATOM 754 N ILE A 51 2.874 15.229 9.436 1.00 7.07 N ATOM 755 CA ILE A 51 2.893 13.804 9.719 1.00 7.67 C ATOM 756 C ILE A 51 1.675 13.474 10.565 1.00 7.65 C ATOM 757 O ILE A 51 1.559 13.908 11.710 1.00 7.88 O ATOM 758 CB ILE A 51 4.172 13.386 10.483 1.00 7.26 C ATOM 759 CG1 ILE A 51 5.412 13.802 9.688 1.00 7.51 C ATOM 760 CG2 ILE A 51 4.182 11.874 10.688 1.00 6.79 C ATOM 761 CD1 ILE A 51 6.725 13.439 10.365 1.00 5.54 C ATOM 762 HA ILE A 51 2.880 13.260 8.775 1.00 0.00 H ATOM 763 HB ILE A 51 4.183 13.882 11.454 1.00 0.00 H ATOM 764 HG12 ILE A 51 5.379 13.310 8.716 1.00 0.00 H ATOM 765 HG13 ILE A 51 5.384 14.883 9.548 1.00 0.00 H ATOM 766 HD11 ILE A 51 6.781 13.933 11.335 1.00 0.00 H ATOM 767 HD12 ILE A 51 6.775 12.359 10.502 1.00 0.00 H ATOM 768 HD13 ILE A 51 7.557 13.766 9.741 1.00 0.00 H ATOM 769 HG21 ILE A 51 3.305 11.581 11.265 1.00 0.00 H ATOM 770 HG22 ILE A 51 4.163 11.377 9.718 1.00 0.00 H ATOM 771 HG23 ILE A 51 5.085 11.588 11.226 1.00 0.00 H ATOM 772 H ILE A 51 2.983 15.906 10.218 1.00 0.00 H ATOM 773 N LYS A 52 0.761 12.717 9.972 1.00 9.56 N ATOM 774 CA LYS A 52 -0.486 12.341 10.621 1.00 11.17 C ATOM 775 C LYS A 52 -0.474 10.839 10.896 1.00 9.87 C ATOM 776 O LYS A 52 0.109 10.064 10.139 1.00 10.03 O ATOM 777 CB LYS A 52 -1.656 12.707 9.703 1.00 13.13 C ATOM 778 CG LYS A 52 -3.030 12.296 10.195 1.00 14.35 C ATOM 779 CD LYS A 52 -4.090 12.893 9.280 1.00 16.85 C ATOM 780 CE LYS A 52 -5.500 12.490 9.688 1.00 19.64 C ATOM 781 NZ LYS A 52 -6.527 13.198 8.855 1.00 18.96 N ATOM 782 HA LYS A 52 -0.596 12.872 11.566 1.00 0.00 H ATOM 783 HB2 LYS A 52 -1.656 13.789 9.575 1.00 0.00 H ATOM 784 HB3 LYS A 52 -1.488 12.228 8.738 1.00 0.00 H ATOM 785 HG2 LYS A 52 -3.111 11.209 10.186 1.00 0.00 H ATOM 786 HG3 LYS A 52 -3.178 12.661 11.211 1.00 0.00 H ATOM 787 HD2 LYS A 52 -4.012 13.980 9.315 1.00 0.00 H ATOM 788 HD3 LYS A 52 -3.908 12.550 8.262 1.00 0.00 H ATOM 789 HE2 LYS A 52 -5.654 12.745 10.736 1.00 0.00 H ATOM 790 HE3 LYS A 52 -5.615 11.414 9.557 1.00 0.00 H ATOM 791 HZ1 LYS A 52 -6.425 14.225 8.980 1.00 0.00 H ATOM 792 HZ2 LYS A 52 -6.388 12.954 7.854 1.00 0.00 H ATOM 793 HZ3 LYS A 52 -7.478 12.904 9.156 1.00 0.00 H ATOM 794 H LYS A 52 0.943 12.379 9.005 1.00 0.00 H ATOM 795 N SER A 53 -1.104 10.427 11.987 1.00 10.16 N ATOM 796 CA SER A 53 -1.199 9.008 12.292 1.00 11.29 C ATOM 797 C SER A 53 -2.558 8.654 12.867 1.00 11.90 C ATOM 798 O SER A 53 -3.042 9.311 13.785 1.00 13.60 O ATOM 799 CB SER A 53 -0.118 8.607 13.289 1.00 8.89 C ATOM 800 OG SER A 53 -0.264 7.247 13.662 1.00 11.45 O ATOM 801 HA SER A 53 -1.062 8.464 11.357 1.00 0.00 H ATOM 802 HB2 SER A 53 -0.199 9.233 14.177 1.00 0.00 H ATOM 803 HB3 SER A 53 0.862 8.751 12.833 1.00 0.00 H ATOM 804 HG SER A 53 -0.187 6.675 12.857 1.00 0.00 H ATOM 805 H SER A 53 -1.533 11.123 12.629 1.00 0.00 H ATOM 806 N GLU A 54 -3.167 7.612 12.318 1.00 11.89 N ATOM 807 CA GLU A 54 -4.352 7.023 12.923 1.00 12.52 C ATOM 808 C GLU A 54 -4.001 5.664 13.515 1.00 11.52 C ATOM 809 O GLU A 54 -3.310 4.864 12.887 1.00 12.69 O ATOM 810 HA GLU A 54 -4.721 7.678 13.712 1.00 0.00 H ATOM 811 H GLU A 54 -2.790 7.207 11.437 1.00 0.00 H ATOM 812 N SER A 55 -4.467 5.413 14.732 1.00 12.74 N ATOM 813 CA SER A 55 -4.385 4.077 15.314 1.00 12.18 C ATOM 814 C SER A 55 -5.464 3.902 16.368 1.00 12.68 C ATOM 815 O SER A 55 -6.145 4.855 16.737 1.00 11.95 O ATOM 816 CB SER A 55 -3.010 3.841 15.946 1.00 11.95 C ATOM 817 OG SER A 55 -2.825 4.639 17.104 1.00 11.16 O ATOM 818 HA SER A 55 -4.533 3.349 14.516 1.00 0.00 H ATOM 819 HB2 SER A 55 -2.238 4.089 15.218 1.00 0.00 H ATOM 820 HB3 SER A 55 -2.923 2.790 16.222 1.00 0.00 H ATOM 821 HG SER A 55 -2.898 5.596 16.859 1.00 0.00 H ATOM 822 H SER A 55 -4.899 6.183 15.282 1.00 0.00 H ATOM 823 N THR A 56 -5.615 2.675 16.851 1.00 13.45 N ATOM 824 CA THR A 56 -6.543 2.394 17.937 1.00 14.76 C ATOM 825 C THR A 56 -6.079 3.021 19.252 1.00 15.89 C ATOM 826 O THR A 56 -6.883 3.221 20.160 1.00 17.28 O ATOM 827 CB THR A 56 -6.698 0.877 18.156 1.00 15.69 C ATOM 828 OG1 THR A 56 -5.413 0.303 18.416 1.00 17.70 O ATOM 829 CG2 THR A 56 -7.307 0.211 16.921 1.00 13.14 C ATOM 830 HA THR A 56 -7.499 2.828 17.645 1.00 0.00 H ATOM 831 HB THR A 56 -7.362 0.713 19.005 1.00 0.00 H ATOM 832 HG1 THR A 56 -5.511 -0.672 18.557 1.00 0.00 H ATOM 833 HG23 THR A 56 -8.286 0.646 16.721 1.00 0.00 H ATOM 834 HG21 THR A 56 -6.654 0.372 16.063 1.00 0.00 H ATOM 835 HG22 THR A 56 -7.414 -0.859 17.102 1.00 0.00 H ATOM 836 H THR A 56 -5.058 1.897 16.444 1.00 0.00 H ATOM 837 N PHE A 57 -4.786 3.321 19.358 1.00 16.34 N ATOM 838 CA PHE A 57 -4.241 3.953 20.561 1.00 16.35 C ATOM 839 C PHE A 57 -4.573 5.439 20.590 1.00 17.00 C ATOM 840 O PHE A 57 -5.139 5.946 21.560 1.00 16.41 O ATOM 841 CB PHE A 57 -2.716 3.776 20.621 1.00 15.94 C ATOM 842 CG PHE A 57 -2.056 4.550 21.733 1.00 15.26 C ATOM 843 CD1 PHE A 57 -2.461 4.387 23.047 1.00 14.85 C ATOM 844 CD2 PHE A 57 -1.021 5.434 21.463 1.00 16.63 C ATOM 845 CE1 PHE A 57 -1.846 5.090 24.074 1.00 16.13 C ATOM 846 CE2 PHE A 57 -0.402 6.140 22.486 1.00 16.56 C ATOM 847 CZ PHE A 57 -0.816 5.966 23.794 1.00 14.59 C ATOM 848 HA PHE A 57 -4.696 3.468 21.425 1.00 0.00 H ATOM 849 HB2 PHE A 57 -2.498 2.717 20.763 1.00 0.00 H ATOM 850 HB3 PHE A 57 -2.294 4.109 19.673 1.00 0.00 H ATOM 851 HD2 PHE A 57 -0.690 5.576 20.434 1.00 0.00 H ATOM 852 HE2 PHE A 57 0.410 6.831 22.258 1.00 0.00 H ATOM 853 HZ PHE A 57 -0.332 6.518 24.600 1.00 0.00 H ATOM 854 HE1 PHE A 57 -2.177 4.950 25.103 1.00 0.00 H ATOM 855 HD1 PHE A 57 -3.273 3.698 23.278 1.00 0.00 H ATOM 856 H PHE A 57 -4.148 3.101 18.567 1.00 0.00 H ATOM 857 N LYS A 58 -4.216 6.137 19.519 1.00 17.30 N ATOM 858 CA LYS A 58 -4.457 7.567 19.439 1.00 17.72 C ATOM 859 C LYS A 58 -4.365 8.048 17.998 1.00 16.94 C ATOM 860 O LYS A 58 -3.623 7.498 17.187 1.00 15.75 O ATOM 861 CB LYS A 58 -3.443 8.321 20.304 1.00 20.06 C ATOM 862 CG LYS A 58 -3.657 9.827 20.337 1.00 23.81 C ATOM 863 CD LYS A 58 -2.865 10.488 21.456 1.00 27.72 C ATOM 864 CE LYS A 58 -2.849 12.006 21.286 1.00 30.74 C ATOM 865 NZ LYS A 58 -1.862 12.683 22.190 1.00 32.04 N ATOM 866 HA LYS A 58 -5.463 7.766 19.809 1.00 0.00 H ATOM 867 HB2 LYS A 58 -3.513 7.942 21.324 1.00 0.00 H ATOM 868 HB3 LYS A 58 -2.445 8.125 19.912 1.00 0.00 H ATOM 869 HG2 LYS A 58 -3.340 10.249 19.383 1.00 0.00 H ATOM 870 HG3 LYS A 58 -4.717 10.029 20.488 1.00 0.00 H ATOM 871 HD2 LYS A 58 -3.323 10.240 22.413 1.00 0.00 H ATOM 872 HD3 LYS A 58 -1.841 10.115 21.438 1.00 0.00 H ATOM 873 HE2 LYS A 58 -3.844 12.392 21.506 1.00 0.00 H ATOM 874 HE3 LYS A 58 -2.591 12.238 20.253 1.00 0.00 H ATOM 875 HZ1 LYS A 58 -2.103 12.477 23.180 1.00 0.00 H ATOM 876 HZ2 LYS A 58 -0.906 12.330 21.984 1.00 0.00 H ATOM 877 HZ3 LYS A 58 -1.896 13.710 22.031 1.00 0.00 H ATOM 878 H LYS A 58 -3.756 5.651 18.723 1.00 0.00 H ATOM 879 N ASN A 59 -5.142 9.071 17.681 1.00 17.16 N ATOM 880 CA ASN A 59 -4.977 9.770 16.425 1.00 16.20 C ATOM 881 C ASN A 59 -4.255 11.067 16.744 1.00 15.64 C ATOM 882 O ASN A 59 -4.741 11.877 17.536 1.00 16.01 O ATOM 883 CB ASN A 59 -6.343 10.046 15.798 1.00 16.86 C ATOM 884 CG ASN A 59 -7.165 8.779 15.621 1.00 18.61 C ATOM 885 OD1 ASN A 59 -8.365 8.753 15.914 1.00 21.98 O ATOM 886 ND2 ASN A 59 -6.523 7.720 15.152 1.00 16.03 N ATOM 887 HA ASN A 59 -4.406 9.179 15.709 1.00 0.00 H ATOM 888 HB2 ASN A 59 -6.892 10.733 16.442 1.00 0.00 H ATOM 889 HB3 ASN A 59 -6.194 10.506 14.821 1.00 0.00 H ATOM 890 HD22 ASN A 59 -5.512 7.786 14.918 1.00 0.00 H ATOM 891 HD21 ASN A 59 -7.030 6.822 15.018 1.00 0.00 H ATOM 892 H ASN A 59 -5.882 9.377 18.344 1.00 0.00 H ATOM 893 N THR A 60 -3.078 11.242 16.154 1.00 13.34 N ATOM 894 CA THR A 60 -2.298 12.455 16.366 1.00 14.62 C ATOM 895 C THR A 60 -1.741 12.974 15.048 1.00 13.26 C ATOM 896 O THR A 60 -1.724 12.265 14.038 1.00 12.59 O ATOM 897 CB THR A 60 -1.096 12.223 17.297 1.00 15.02 C ATOM 898 OG1 THR A 60 -1.401 11.201 18.249 1.00 20.78 O ATOM 899 CG2 THR A 60 -0.781 13.503 18.054 1.00 17.72 C ATOM 900 HA THR A 60 -2.982 13.172 16.820 1.00 0.00 H ATOM 901 HB THR A 60 -0.242 11.921 16.691 1.00 0.00 H ATOM 902 HG1 THR A 60 -0.621 11.061 18.842 1.00 0.00 H ATOM 903 HG23 THR A 60 -0.546 14.295 17.343 1.00 0.00 H ATOM 904 HG21 THR A 60 -1.646 13.793 18.650 1.00 0.00 H ATOM 905 HG22 THR A 60 0.074 13.335 18.709 1.00 0.00 H ATOM 906 H THR A 60 -2.706 10.499 15.529 1.00 0.00 H ATOM 907 N GLU A 61 -1.266 14.212 15.075 1.00 12.42 N ATOM 908 CA GLU A 61 -0.763 14.859 13.876 1.00 12.67 C ATOM 909 C GLU A 61 0.131 16.035 14.248 1.00 11.13 C ATOM 910 O GLU A 61 -0.194 16.810 15.148 1.00 10.69 O ATOM 911 CB GLU A 61 -1.949 15.326 13.033 1.00 14.74 C ATOM 912 CG GLU A 61 -1.683 16.509 12.136 1.00 18.08 C ATOM 913 CD GLU A 61 -2.950 16.978 11.448 1.00 19.55 C ATOM 914 OE1 GLU A 61 -3.858 16.143 11.259 1.00 22.55 O ATOM 915 OE2 GLU A 61 -3.049 18.172 11.109 1.00 20.07 O ATOM 916 HA GLU A 61 -0.166 14.154 13.298 1.00 0.00 H ATOM 917 HB2 GLU A 61 -2.264 14.492 12.405 1.00 0.00 H ATOM 918 HB3 GLU A 61 -2.759 15.594 13.712 1.00 0.00 H ATOM 919 HG2 GLU A 61 -1.282 17.326 12.736 1.00 0.00 H ATOM 920 HG3 GLU A 61 -0.953 16.223 11.379 1.00 0.00 H ATOM 921 H GLU A 61 -1.253 14.732 15.976 1.00 0.00 H ATOM 922 N ILE A 62 1.269 16.155 13.571 1.00 9.27 N ATOM 923 CA ILE A 62 2.109 17.333 13.724 1.00 8.58 C ATOM 924 C ILE A 62 2.356 17.969 12.365 1.00 8.78 C ATOM 925 O ILE A 62 2.552 17.268 11.373 1.00 8.90 O ATOM 926 CB ILE A 62 3.473 16.992 14.368 1.00 9.58 C ATOM 927 CG1 ILE A 62 4.232 15.991 13.496 1.00 9.52 C ATOM 928 CG2 ILE A 62 3.258 16.436 15.774 1.00 10.19 C ATOM 929 CD1 ILE A 62 5.652 15.736 13.962 1.00 10.31 C ATOM 930 HA ILE A 62 1.582 18.024 14.382 1.00 0.00 H ATOM 931 HB ILE A 62 4.072 17.900 14.443 1.00 0.00 H ATOM 932 HG12 ILE A 62 3.691 15.045 13.506 1.00 0.00 H ATOM 933 HG13 ILE A 62 4.267 16.378 12.478 1.00 0.00 H ATOM 934 HD11 ILE A 62 6.211 16.671 13.948 1.00 0.00 H ATOM 935 HD12 ILE A 62 5.634 15.338 14.976 1.00 0.00 H ATOM 936 HD13 ILE A 62 6.128 15.016 13.296 1.00 0.00 H ATOM 937 HG21 ILE A 62 2.748 17.181 16.384 1.00 0.00 H ATOM 938 HG22 ILE A 62 2.650 15.533 15.717 1.00 0.00 H ATOM 939 HG23 ILE A 62 4.223 16.198 16.221 1.00 0.00 H ATOM 940 H ILE A 62 1.563 15.396 12.923 1.00 0.00 H ATOM 941 N SER A 63 2.320 19.298 12.326 1.00 7.42 N ATOM 942 CA SER A 63 2.677 20.056 11.130 1.00 8.19 C ATOM 943 C SER A 63 3.797 21.011 11.505 1.00 8.59 C ATOM 944 O SER A 63 3.788 21.596 12.594 1.00 10.42 O ATOM 945 CB SER A 63 1.476 20.847 10.608 1.00 8.62 C ATOM 946 OG SER A 63 0.507 19.988 10.031 1.00 8.30 O ATOM 947 HA SER A 63 2.995 19.374 10.341 1.00 0.00 H ATOM 948 HB2 SER A 63 1.818 21.556 9.853 1.00 0.00 H ATOM 949 HB3 SER A 63 1.021 21.391 11.436 1.00 0.00 H ATOM 950 HG SER A 63 0.913 19.495 9.275 1.00 0.00 H ATOM 951 H SER A 63 2.027 19.816 13.179 1.00 0.00 H ATOM 952 N PHE A 64 4.766 21.164 10.614 1.00 7.31 N ATOM 953 CA PHE A 64 5.980 21.880 10.961 1.00 8.13 C ATOM 954 C PHE A 64 6.745 22.345 9.729 1.00 7.85 C ATOM 955 O PHE A 64 6.537 21.849 8.618 1.00 7.48 O ATOM 956 CB PHE A 64 6.878 20.982 11.816 1.00 6.38 C ATOM 957 CG PHE A 64 7.265 19.695 11.136 1.00 7.64 C ATOM 958 CD1 PHE A 64 6.491 18.553 11.287 1.00 7.62 C ATOM 959 CD2 PHE A 64 8.388 19.634 10.327 1.00 7.59 C ATOM 960 CE1 PHE A 64 6.832 17.374 10.642 1.00 5.59 C ATOM 961 CE2 PHE A 64 8.735 18.456 9.678 1.00 6.66 C ATOM 962 CZ PHE A 64 7.955 17.328 9.837 1.00 6.62 C ATOM 963 HA PHE A 64 5.690 22.768 11.522 1.00 0.00 H ATOM 964 HB2 PHE A 64 7.788 21.532 12.056 1.00 0.00 H ATOM 965 HB3 PHE A 64 6.347 20.740 12.737 1.00 0.00 H ATOM 966 HD2 PHE A 64 9.007 20.522 10.198 1.00 0.00 H ATOM 967 HE2 PHE A 64 9.621 18.422 9.044 1.00 0.00 H ATOM 968 HZ PHE A 64 8.224 16.402 9.328 1.00 0.00 H ATOM 969 HE1 PHE A 64 6.215 16.484 10.769 1.00 0.00 H ATOM 970 HD1 PHE A 64 5.604 18.583 11.920 1.00 0.00 H ATOM 971 H PHE A 64 4.656 20.768 9.659 1.00 0.00 H ATOM 972 N ILE A 65 7.633 23.309 9.937 1.00 8.10 N ATOM 973 CA ILE A 65 8.551 23.737 8.896 1.00 8.31 C ATOM 974 C ILE A 65 9.969 23.398 9.352 1.00 7.86 C ATOM 975 O ILE A 65 10.340 23.658 10.494 1.00 7.48 O ATOM 976 CB ILE A 65 8.421 25.256 8.641 1.00 8.16 C ATOM 977 CG1 ILE A 65 7.015 25.577 8.123 1.00 7.29 C ATOM 978 CG2 ILE A 65 9.468 25.712 7.640 1.00 6.37 C ATOM 979 CD1 ILE A 65 6.707 27.060 8.066 1.00 9.11 C ATOM 980 HA ILE A 65 8.318 23.225 7.962 1.00 0.00 H ATOM 981 HB ILE A 65 8.583 25.789 9.578 1.00 0.00 H ATOM 982 HG12 ILE A 65 6.917 25.167 7.118 1.00 0.00 H ATOM 983 HG13 ILE A 65 6.289 25.100 8.781 1.00 0.00 H ATOM 984 HD11 ILE A 65 6.789 27.485 9.066 1.00 0.00 H ATOM 985 HD12 ILE A 65 7.417 27.552 7.401 1.00 0.00 H ATOM 986 HD13 ILE A 65 5.694 27.205 7.690 1.00 0.00 H ATOM 987 HG21 ILE A 65 10.462 25.500 8.034 1.00 0.00 H ATOM 988 HG22 ILE A 65 9.327 25.179 6.700 1.00 0.00 H ATOM 989 HG23 ILE A 65 9.364 26.784 7.470 1.00 0.00 H ATOM 990 H ILE A 65 7.673 23.770 10.869 1.00 0.00 H ATOM 991 N LEU A 66 10.752 22.798 8.464 1.00 7.19 N ATOM 992 CA LEU A 66 12.100 22.371 8.816 1.00 8.15 C ATOM 993 C LEU A 66 12.877 23.525 9.438 1.00 8.71 C ATOM 994 O LEU A 66 12.869 24.639 8.914 1.00 8.06 O ATOM 995 CB LEU A 66 12.839 21.871 7.575 1.00 8.24 C ATOM 996 CG LEU A 66 12.278 20.617 6.903 1.00 9.46 C ATOM 997 CD1 LEU A 66 13.025 20.360 5.605 1.00 11.81 C ATOM 998 CD2 LEU A 66 12.406 19.429 7.840 1.00 10.11 C ATOM 999 HA LEU A 66 12.023 21.560 9.540 1.00 0.00 H ATOM 1000 HB2 LEU A 66 12.829 22.674 6.838 1.00 0.00 H ATOM 1001 HB3 LEU A 66 13.868 21.659 7.866 1.00 0.00 H ATOM 1002 HG LEU A 66 11.222 20.764 6.676 1.00 0.00 H ATOM 1003 HD21 LEU A 66 13.457 19.270 8.081 1.00 0.00 H ATOM 1004 HD22 LEU A 66 11.848 19.628 8.755 1.00 0.00 H ATOM 1005 HD23 LEU A 66 12.004 18.540 7.354 1.00 0.00 H ATOM 1006 HD11 LEU A 66 12.901 21.215 4.941 1.00 0.00 H ATOM 1007 HD12 LEU A 66 14.084 20.215 5.819 1.00 0.00 H ATOM 1008 HD13 LEU A 66 12.624 19.466 5.127 1.00 0.00 H ATOM 1009 H LEU A 66 10.398 22.630 7.501 1.00 0.00 H ATOM 1010 N GLY A 67 13.540 23.251 10.557 1.00 8.51 N ATOM 1011 CA GLY A 67 14.385 24.250 11.189 1.00 8.40 C ATOM 1012 C GLY A 67 13.666 25.172 12.158 1.00 9.55 C ATOM 1013 O GLY A 67 14.299 25.986 12.835 1.00 9.97 O ATOM 1014 HA3 GLY A 67 14.831 24.862 10.405 1.00 0.00 H ATOM 1015 HA2 GLY A 67 15.173 23.731 11.735 1.00 0.00 H ATOM 1016 H GLY A 67 13.453 22.308 10.986 1.00 0.00 H ATOM 1017 N GLN A 68 12.346 25.057 12.237 1.00 8.84 N ATOM 1018 CA GLN A 68 11.574 25.962 13.081 1.00 10.00 C ATOM 1019 C GLN A 68 10.922 25.210 14.235 1.00 9.92 C ATOM 1020 O GLN A 68 10.087 24.329 14.031 1.00 10.54 O ATOM 1021 CB GLN A 68 10.512 26.685 12.242 1.00 10.39 C ATOM 1022 CG GLN A 68 11.094 27.406 11.025 1.00 12.83 C ATOM 1023 CD GLN A 68 10.113 28.377 10.374 1.00 14.48 C ATOM 1024 OE1 GLN A 68 8.980 28.537 10.829 1.00 12.98 O ATOM 1025 NE2 GLN A 68 10.551 29.027 9.300 1.00 14.48 N ATOM 1026 HA GLN A 68 12.254 26.702 13.505 1.00 0.00 H ATOM 1027 HB2 GLN A 68 9.785 25.951 11.895 1.00 0.00 H ATOM 1028 HB3 GLN A 68 10.012 27.419 12.874 1.00 0.00 H ATOM 1029 HG2 GLN A 68 11.975 27.964 11.341 1.00 0.00 H ATOM 1030 HG3 GLN A 68 11.384 26.659 10.286 1.00 0.00 H ATOM 1031 HE22 GLN A 68 11.516 28.861 8.950 1.00 0.00 H ATOM 1032 HE21 GLN A 68 9.929 29.701 8.810 1.00 0.00 H ATOM 1033 H GLN A 68 11.859 24.316 11.693 1.00 0.00 H ATOM 1034 N GLU A 69 11.307 25.571 15.451 1.00 10.45 N ATOM 1035 CA GLU A 69 10.859 24.865 16.644 1.00 10.98 C ATOM 1036 C GLU A 69 9.355 25.031 16.856 1.00 10.84 C ATOM 1037 O GLU A 69 8.782 26.070 16.527 1.00 9.38 O ATOM 1038 CB GLU A 69 11.629 25.384 17.859 1.00 11.01 C ATOM 1039 CG GLU A 69 11.258 24.743 19.184 1.00 14.97 C ATOM 1040 CD GLU A 69 12.050 25.335 20.331 1.00 18.53 C ATOM 1041 OE1 GLU A 69 11.762 26.488 20.714 1.00 19.74 O ATOM 1042 OE2 GLU A 69 12.965 24.653 20.842 1.00 19.80 O ATOM 1043 HA GLU A 69 11.057 23.801 16.514 1.00 0.00 H ATOM 1044 HB2 GLU A 69 12.691 25.209 17.685 1.00 0.00 H ATOM 1045 HB3 GLU A 69 11.448 26.456 17.940 1.00 0.00 H ATOM 1046 HG2 GLU A 69 10.195 24.901 19.369 1.00 0.00 H ATOM 1047 HG3 GLU A 69 11.461 23.673 19.129 1.00 0.00 H ATOM 1048 H GLU A 69 11.948 26.383 15.557 1.00 0.00 H ATOM 1049 N PHE A 70 8.720 23.995 17.394 1.00 9.50 N ATOM 1050 CA PHE A 70 7.282 24.016 17.621 1.00 9.87 C ATOM 1051 C PHE A 70 6.911 23.272 18.901 1.00 10.45 C ATOM 1052 O PHE A 70 7.687 22.462 19.404 1.00 8.53 O ATOM 1053 CB PHE A 70 6.538 23.402 16.421 1.00 7.85 C ATOM 1054 CG PHE A 70 6.939 21.981 16.101 1.00 8.89 C ATOM 1055 CD1 PHE A 70 8.067 21.716 15.338 1.00 7.95 C ATOM 1056 CD2 PHE A 70 6.170 20.913 16.537 1.00 9.27 C ATOM 1057 CE1 PHE A 70 8.420 20.415 15.015 1.00 8.76 C ATOM 1058 CE2 PHE A 70 6.519 19.605 16.217 1.00 7.99 C ATOM 1059 CZ PHE A 70 7.647 19.360 15.454 1.00 9.46 C ATOM 1060 HA PHE A 70 6.980 25.057 17.733 1.00 0.00 H ATOM 1061 HB2 PHE A 70 5.470 23.415 16.638 1.00 0.00 H ATOM 1062 HB3 PHE A 70 6.736 24.019 15.544 1.00 0.00 H ATOM 1063 HD2 PHE A 70 5.280 21.101 17.138 1.00 0.00 H ATOM 1064 HE2 PHE A 70 5.905 18.775 16.567 1.00 0.00 H ATOM 1065 HZ PHE A 70 7.924 18.337 15.201 1.00 0.00 H ATOM 1066 HE1 PHE A 70 9.309 20.225 14.414 1.00 0.00 H ATOM 1067 HD1 PHE A 70 8.685 22.543 14.987 1.00 0.00 H ATOM 1068 H PHE A 70 9.263 23.149 17.659 1.00 0.00 H ATOM 1069 N ASP A 71 5.724 23.567 19.427 1.00 11.46 N ATOM 1070 CA ASP A 71 5.185 22.842 20.570 1.00 11.50 C ATOM 1071 C ASP A 71 4.583 21.545 20.061 1.00 10.62 C ATOM 1072 O ASP A 71 3.873 21.539 19.056 1.00 11.71 O ATOM 1073 CB ASP A 71 4.088 23.656 21.262 1.00 12.57 C ATOM 1074 CG ASP A 71 4.577 24.994 21.765 1.00 16.19 C ATOM 1075 OD1 ASP A 71 5.558 25.017 22.540 1.00 15.88 O ATOM 1076 OD2 ASP A 71 3.972 26.025 21.387 1.00 17.69 O ATOM 1077 HA ASP A 71 5.983 22.654 21.288 1.00 0.00 H ATOM 1078 HB2 ASP A 71 3.280 23.826 20.551 1.00 0.00 H ATOM 1079 HB3 ASP A 71 3.711 23.083 22.109 1.00 0.00 H ATOM 1080 H ASP A 71 5.165 24.338 19.009 1.00 0.00 H ATOM 1081 N GLU A 72 4.865 20.448 20.753 1.00 10.18 N ATOM 1082 CA GLU A 72 4.332 19.149 20.365 1.00 10.65 C ATOM 1083 C GLU A 72 3.742 18.430 21.576 1.00 11.00 C ATOM 1084 O GLU A 72 4.391 18.310 22.610 1.00 11.46 O ATOM 1085 CB GLU A 72 5.442 18.290 19.739 1.00 8.43 C ATOM 1086 CG GLU A 72 4.959 16.963 19.155 1.00 9.58 C ATOM 1087 CD GLU A 72 6.095 16.098 18.622 1.00 8.52 C ATOM 1088 OE1 GLU A 72 7.268 16.495 18.768 1.00 10.76 O ATOM 1089 OE2 GLU A 72 5.818 15.020 18.055 1.00 8.51 O ATOM 1090 HA GLU A 72 3.542 19.305 19.631 1.00 0.00 H ATOM 1091 HB2 GLU A 72 5.909 18.865 18.939 1.00 0.00 H ATOM 1092 HB3 GLU A 72 6.182 18.075 20.509 1.00 0.00 H ATOM 1093 HG2 GLU A 72 4.437 16.409 19.935 1.00 0.00 H ATOM 1094 HG3 GLU A 72 4.269 17.173 18.338 1.00 0.00 H ATOM 1095 H GLU A 72 5.479 20.517 21.589 1.00 0.00 H ATOM 1096 N VAL A 73 2.506 17.961 21.450 1.00 11.96 N ATOM 1097 CA VAL A 73 1.946 17.060 22.445 1.00 12.71 C ATOM 1098 C VAL A 73 2.053 15.640 21.905 1.00 12.12 C ATOM 1099 O VAL A 73 1.313 15.259 20.997 1.00 12.37 O ATOM 1100 CB VAL A 73 0.462 17.374 22.730 1.00 14.62 C ATOM 1101 CG1 VAL A 73 -0.060 16.444 23.815 1.00 14.89 C ATOM 1102 CG2 VAL A 73 0.303 18.826 23.147 1.00 14.70 C ATOM 1103 HA VAL A 73 2.498 17.179 23.377 1.00 0.00 H ATOM 1104 HB VAL A 73 -0.119 17.214 21.822 1.00 0.00 H ATOM 1105 HG11 VAL A 73 0.034 15.410 23.482 1.00 0.00 H ATOM 1106 HG12 VAL A 73 0.522 16.588 24.726 1.00 0.00 H ATOM 1107 HG13 VAL A 73 -1.108 16.670 24.012 1.00 0.00 H ATOM 1108 HG21 VAL A 73 0.887 19.010 24.049 1.00 0.00 H ATOM 1109 HG22 VAL A 73 0.658 19.474 22.345 1.00 0.00 H ATOM 1110 HG23 VAL A 73 -0.749 19.033 23.345 1.00 0.00 H ATOM 1111 H VAL A 73 1.931 18.241 20.630 1.00 0.00 H ATOM 1112 N THR A 74 2.978 14.864 22.461 1.00 11.37 N ATOM 1113 CA THR A 74 3.248 13.520 21.963 1.00 11.50 C ATOM 1114 C THR A 74 2.077 12.598 22.279 1.00 12.39 C ATOM 1115 O THR A 74 1.206 12.947 23.076 1.00 12.56 O ATOM 1116 CB THR A 74 4.543 12.941 22.586 1.00 9.77 C ATOM 1117 OG1 THR A 74 4.368 12.755 23.997 1.00 12.90 O ATOM 1118 CG2 THR A 74 5.706 13.890 22.358 1.00 8.54 C ATOM 1119 HA THR A 74 3.382 13.585 20.883 1.00 0.00 H ATOM 1120 HB THR A 74 4.754 11.983 22.110 1.00 0.00 H ATOM 1121 HG1 THR A 74 3.620 12.126 24.156 1.00 0.00 H ATOM 1122 HG23 THR A 74 5.848 14.038 21.287 1.00 0.00 H ATOM 1123 HG21 THR A 74 5.491 14.847 22.833 1.00 0.00 H ATOM 1124 HG22 THR A 74 6.611 13.464 22.790 1.00 0.00 H ATOM 1125 H THR A 74 3.522 15.224 23.271 1.00 0.00 H ATOM 1126 N ALA A 75 2.050 11.429 21.647 1.00 12.25 N ATOM 1127 CA ALA A 75 0.918 10.522 21.788 1.00 12.84 C ATOM 1128 C ALA A 75 0.806 9.998 23.217 1.00 13.17 C ATOM 1129 O ALA A 75 -0.277 9.611 23.659 1.00 12.77 O ATOM 1130 CB ALA A 75 1.048 9.360 20.809 1.00 12.64 C ATOM 1131 HA ALA A 75 0.009 11.079 21.560 1.00 0.00 H ATOM 1132 HB1 ALA A 75 1.071 9.746 19.790 1.00 0.00 H ATOM 1133 HB2 ALA A 75 1.970 8.815 21.014 1.00 0.00 H ATOM 1134 HB3 ALA A 75 0.195 8.691 20.926 1.00 0.00 H ATOM 1135 H ALA A 75 2.851 11.157 21.041 1.00 0.00 H ATOM 1136 N ASP A 76 1.927 9.990 23.936 1.00 11.93 N ATOM 1137 CA ASP A 76 1.927 9.601 25.339 1.00 13.22 C ATOM 1138 C ASP A 76 1.751 10.800 26.270 1.00 13.95 C ATOM 1139 O ASP A 76 1.899 10.677 27.483 1.00 14.60 O ATOM 1140 CB ASP A 76 3.218 8.844 25.687 1.00 12.45 C ATOM 1141 CG ASP A 76 4.468 9.683 25.486 1.00 12.48 C ATOM 1142 OD1 ASP A 76 4.694 10.157 24.352 1.00 10.92 O ATOM 1143 OD2 ASP A 76 5.228 9.861 26.465 1.00 10.67 O ATOM 1144 HA ASP A 76 1.072 8.942 25.490 1.00 0.00 H ATOM 1145 HB2 ASP A 76 3.170 8.536 26.731 1.00 0.00 H ATOM 1146 HB3 ASP A 76 3.286 7.961 25.052 1.00 0.00 H ATOM 1147 H ASP A 76 2.822 10.268 23.485 1.00 0.00 H ATOM 1148 N ASP A 77 1.436 11.957 25.690 1.00 15.65 N ATOM 1149 CA ASP A 77 0.989 13.130 26.446 1.00 17.51 C ATOM 1150 C ASP A 77 2.116 13.927 27.102 1.00 17.31 C ATOM 1151 O ASP A 77 1.906 14.589 28.118 1.00 16.51 O ATOM 1152 CB ASP A 77 -0.029 12.715 27.516 1.00 19.84 C ATOM 1153 CG ASP A 77 -1.050 13.797 27.807 1.00 22.57 C ATOM 1154 OD1 ASP A 77 -1.227 14.706 26.966 1.00 23.80 O ATOM 1155 OD2 ASP A 77 -1.683 13.738 28.885 1.00 25.17 O ATOM 1156 HA ASP A 77 0.533 13.792 25.710 1.00 0.00 H ATOM 1157 HB2 ASP A 77 -0.554 11.824 27.171 1.00 0.00 H ATOM 1158 HB3 ASP A 77 0.507 12.485 28.437 1.00 0.00 H ATOM 1159 H ASP A 77 1.511 12.031 24.655 1.00 0.00 H ATOM 1160 N ARG A 78 3.315 13.864 26.531 1.00 16.08 N ATOM 1161 CA ARG A 78 4.372 14.794 26.916 1.00 15.17 C ATOM 1162 C ARG A 78 4.197 16.087 26.127 1.00 14.71 C ATOM 1163 O ARG A 78 3.895 16.054 24.934 1.00 15.13 O ATOM 1164 CB ARG A 78 5.751 14.198 26.612 1.00 14.42 C ATOM 1165 CG ARG A 78 6.191 13.100 27.563 1.00 13.48 C ATOM 1166 CD ARG A 78 7.438 12.392 27.043 1.00 12.67 C ATOM 1167 NE ARG A 78 7.132 11.605 25.852 1.00 11.90 N ATOM 1168 CZ ARG A 78 7.807 11.673 24.710 1.00 11.24 C ATOM 1169 NH1 ARG A 78 8.843 12.493 24.594 1.00 11.69 N ATOM 1170 NH2 ARG A 78 7.431 10.932 23.676 1.00 9.09 N ATOM 1171 HA ARG A 78 4.306 14.989 27.986 1.00 0.00 H ATOM 1172 HB2 ARG A 78 5.728 13.785 25.604 1.00 0.00 H ATOM 1173 HB3 ARG A 78 6.486 15.002 26.657 1.00 0.00 H ATOM 1174 HG2 ARG A 78 6.410 13.538 28.537 1.00 0.00 H ATOM 1175 HG3 ARG A 78 5.385 12.373 27.666 1.00 0.00 H ATOM 1176 HD2 ARG A 78 7.823 11.730 27.819 1.00 0.00 H ATOM 1177 HD3 ARG A 78 8.194 13.137 26.794 1.00 0.00 H ATOM 1178 HE ARG A 78 6.330 10.945 25.901 1.00 0.00 H ATOM 1179 HH12 ARG A 78 9.369 12.543 23.698 1.00 0.00 H ATOM 1180 HH11 ARG A 78 9.130 13.086 25.399 1.00 0.00 H ATOM 1181 HH22 ARG A 78 7.958 10.983 22.781 1.00 0.00 H ATOM 1182 HH21 ARG A 78 6.610 10.300 23.761 1.00 0.00 H ATOM 1183 H ARG A 78 3.502 13.145 25.803 1.00 0.00 H ATOM 1184 N LYS A 79 4.373 17.225 26.791 1.00 13.74 N ATOM 1185 CA LYS A 79 4.447 18.495 26.080 1.00 14.03 C ATOM 1186 C LYS A 79 5.915 18.865 25.913 1.00 13.35 C ATOM 1187 O LYS A 79 6.619 19.148 26.886 1.00 11.97 O ATOM 1188 CB LYS A 79 3.703 19.586 26.854 1.00 14.52 C ATOM 1189 CG LYS A 79 4.113 19.703 28.297 1.00 16.88 C ATOM 1190 HA LYS A 79 3.975 18.402 25.102 1.00 0.00 H ATOM 1191 HB2 LYS A 79 3.892 20.542 26.366 1.00 0.00 H ATOM 1192 HB3 LYS A 79 2.636 19.365 26.818 1.00 0.00 H ATOM 1193 HG2 LYS A 79 3.920 18.759 28.806 1.00 0.00 H ATOM 1194 HG3 LYS A 79 5.176 19.937 28.354 1.00 0.00 H ATOM 1195 H LYS A 79 4.459 17.209 27.827 1.00 0.00 H ATOM 1196 N VAL A 80 6.380 18.846 24.670 1.00 11.30 N ATOM 1197 CA VAL A 80 7.803 18.983 24.411 1.00 11.50 C ATOM 1198 C VAL A 80 8.059 20.137 23.443 1.00 10.84 C ATOM 1199 O VAL A 80 7.148 20.600 22.759 1.00 11.09 O ATOM 1200 CB VAL A 80 8.379 17.683 23.805 1.00 9.63 C ATOM 1201 CG1 VAL A 80 7.994 16.493 24.677 1.00 8.92 C ATOM 1202 CG2 VAL A 80 7.866 17.494 22.383 1.00 9.37 C ATOM 1203 HA VAL A 80 8.296 19.185 25.362 1.00 0.00 H ATOM 1204 HB VAL A 80 9.466 17.755 23.770 1.00 0.00 H ATOM 1205 HG11 VAL A 80 8.397 16.634 25.680 1.00 0.00 H ATOM 1206 HG12 VAL A 80 6.908 16.418 24.728 1.00 0.00 H ATOM 1207 HG13 VAL A 80 8.403 15.580 24.245 1.00 0.00 H ATOM 1208 HG21 VAL A 80 6.778 17.431 22.396 1.00 0.00 H ATOM 1209 HG22 VAL A 80 8.175 18.341 21.771 1.00 0.00 H ATOM 1210 HG23 VAL A 80 8.279 16.575 21.968 1.00 0.00 H ATOM 1211 H VAL A 80 5.720 18.732 23.874 1.00 0.00 H ATOM 1212 N LYS A 81 9.300 20.603 23.404 1.00 11.08 N ATOM 1213 CA LYS A 81 9.715 21.556 22.386 1.00 12.12 C ATOM 1214 C LYS A 81 10.486 20.816 21.301 1.00 10.72 C ATOM 1215 O LYS A 81 11.533 20.228 21.569 1.00 8.77 O ATOM 1216 CB LYS A 81 10.601 22.641 23.004 1.00 14.47 C ATOM 1217 CG LYS A 81 9.852 23.648 23.862 1.00 15.88 C ATOM 1218 CD LYS A 81 9.526 24.906 23.074 1.00 18.94 C ATOM 1219 CE LYS A 81 9.202 26.053 24.006 1.00 20.71 C ATOM 1220 NZ LYS A 81 8.115 25.689 24.951 1.00 20.91 N ATOM 1221 HA LYS A 81 8.834 22.032 21.955 1.00 0.00 H ATOM 1222 HB2 LYS A 81 11.353 22.155 23.626 1.00 0.00 H ATOM 1223 HB3 LYS A 81 11.094 23.181 22.196 1.00 0.00 H ATOM 1224 HG2 LYS A 81 8.924 23.197 24.212 1.00 0.00 H ATOM 1225 HG3 LYS A 81 10.470 23.915 24.719 1.00 0.00 H ATOM 1226 HD2 LYS A 81 10.385 25.176 22.459 1.00 0.00 H ATOM 1227 HD3 LYS A 81 8.667 24.713 22.431 1.00 0.00 H ATOM 1228 HE2 LYS A 81 8.886 26.913 23.415 1.00 0.00 H ATOM 1229 HE3 LYS A 81 10.095 26.312 24.574 1.00 0.00 H ATOM 1230 HZ1 LYS A 81 7.258 25.445 24.414 1.00 0.00 H ATOM 1231 HZ2 LYS A 81 8.412 24.872 25.521 1.00 0.00 H ATOM 1232 HZ3 LYS A 81 7.916 26.496 25.576 1.00 0.00 H ATOM 1233 H LYS A 81 9.989 20.281 24.114 1.00 0.00 H ATOM 1234 N SER A 82 9.971 20.860 20.074 1.00 10.23 N ATOM 1235 CA SER A 82 10.502 20.029 19.002 1.00 9.54 C ATOM 1236 C SER A 82 10.995 20.819 17.805 1.00 9.05 C ATOM 1237 O SER A 82 10.402 21.831 17.413 1.00 9.10 O ATOM 1238 CB SER A 82 9.443 19.024 18.541 1.00 8.88 C ATOM 1239 OG SER A 82 9.120 18.129 19.587 1.00 9.60 O ATOM 1240 HA SER A 82 11.367 19.515 19.421 1.00 0.00 H ATOM 1241 HB2 SER A 82 9.829 18.460 17.692 1.00 0.00 H ATOM 1242 HB3 SER A 82 8.545 19.562 18.239 1.00 0.00 H ATOM 1243 HG SER A 82 8.435 17.488 19.271 1.00 0.00 H ATOM 1244 H SER A 82 9.175 21.500 19.877 1.00 0.00 H ATOM 1245 N THR A 83 12.088 20.341 17.226 1.00 9.06 N ATOM 1246 CA THR A 83 12.596 20.882 15.970 1.00 8.68 C ATOM 1247 C THR A 83 12.889 19.725 15.033 1.00 8.14 C ATOM 1248 O THR A 83 13.527 18.748 15.426 1.00 7.19 O ATOM 1249 CB THR A 83 13.900 21.659 16.178 1.00 8.90 C ATOM 1250 OG1 THR A 83 13.724 22.599 17.243 1.00 8.88 O ATOM 1251 CG2 THR A 83 14.279 22.407 14.901 1.00 8.85 C ATOM 1252 HA THR A 83 11.845 21.558 15.561 1.00 0.00 H ATOM 1253 HB THR A 83 14.696 20.958 16.428 1.00 0.00 H ATOM 1254 HG1 THR A 83 13.489 22.114 18.074 1.00 0.00 H ATOM 1255 HG23 THR A 83 14.413 21.692 14.089 1.00 0.00 H ATOM 1256 HG21 THR A 83 13.485 23.107 14.642 1.00 0.00 H ATOM 1257 HG22 THR A 83 15.208 22.953 15.064 1.00 0.00 H ATOM 1258 H THR A 83 12.598 19.557 17.681 1.00 0.00 H ATOM 1259 N ILE A 84 12.418 19.834 13.797 1.00 6.44 N ATOM 1260 CA ILE A 84 12.687 18.808 12.807 1.00 6.82 C ATOM 1261 C ILE A 84 13.453 19.408 11.642 1.00 8.26 C ATOM 1262 O ILE A 84 13.083 20.455 11.105 1.00 7.09 O ATOM 1263 CB ILE A 84 11.380 18.169 12.295 1.00 6.87 C ATOM 1264 CG1 ILE A 84 10.633 17.527 13.470 1.00 6.53 C ATOM 1265 CG2 ILE A 84 11.690 17.120 11.239 1.00 7.24 C ATOM 1266 CD1 ILE A 84 9.277 16.954 13.121 1.00 6.32 C ATOM 1267 HA ILE A 84 13.285 18.029 13.279 1.00 0.00 H ATOM 1268 HB ILE A 84 10.754 18.940 11.847 1.00 0.00 H ATOM 1269 HG12 ILE A 84 11.251 16.721 13.865 1.00 0.00 H ATOM 1270 HG13 ILE A 84 10.493 18.287 14.239 1.00 0.00 H ATOM 1271 HD11 ILE A 84 8.637 17.748 12.736 1.00 0.00 H ATOM 1272 HD12 ILE A 84 9.395 16.181 12.362 1.00 0.00 H ATOM 1273 HD13 ILE A 84 8.826 16.522 14.014 1.00 0.00 H ATOM 1274 HG21 ILE A 84 12.210 17.589 10.404 1.00 0.00 H ATOM 1275 HG22 ILE A 84 12.322 16.345 11.673 1.00 0.00 H ATOM 1276 HG23 ILE A 84 10.759 16.676 10.885 1.00 0.00 H ATOM 1277 H ILE A 84 11.849 20.665 13.535 1.00 0.00 H ATOM 1278 N THR A 85 14.540 18.746 11.271 1.00 7.40 N ATOM 1279 CA THR A 85 15.377 19.222 10.187 1.00 9.19 C ATOM 1280 C THR A 85 15.675 18.071 9.243 1.00 10.23 C ATOM 1281 O THR A 85 15.400 16.909 9.548 1.00 9.42 O ATOM 1282 CB THR A 85 16.712 19.809 10.714 1.00 9.41 C ATOM 1283 OG1 THR A 85 17.374 18.840 11.536 1.00 9.12 O ATOM 1284 CG2 THR A 85 16.459 21.072 11.526 1.00 12.78 C ATOM 1285 HA THR A 85 14.840 20.014 9.666 1.00 0.00 H ATOM 1286 HB THR A 85 17.341 20.060 9.860 1.00 0.00 H ATOM 1287 HG1 THR A 85 16.792 18.606 12.302 1.00 0.00 H ATOM 1288 HG23 THR A 85 15.955 21.809 10.901 1.00 0.00 H ATOM 1289 HG21 THR A 85 15.831 20.831 12.384 1.00 0.00 H ATOM 1290 HG22 THR A 85 17.410 21.476 11.872 1.00 0.00 H ATOM 1291 H THR A 85 14.797 17.869 11.767 1.00 0.00 H ATOM 1292 N LEU A 86 16.228 18.398 8.086 1.00 11.60 N ATOM 1293 CA LEU A 86 16.609 17.382 7.126 1.00 13.21 C ATOM 1294 C LEU A 86 18.131 17.379 7.049 1.00 14.31 C ATOM 1295 O LEU A 86 18.738 18.414 6.792 1.00 16.76 O ATOM 1296 CB LEU A 86 15.993 17.717 5.769 1.00 13.33 C ATOM 1297 CG LEU A 86 15.876 16.662 4.670 1.00 16.57 C ATOM 1298 CD1 LEU A 86 15.202 15.398 5.188 1.00 14.22 C ATOM 1299 CD2 LEU A 86 15.067 17.263 3.530 1.00 16.73 C ATOM 1300 HA LEU A 86 16.252 16.396 7.423 1.00 0.00 H ATOM 1301 HB2 LEU A 86 14.981 18.070 5.968 1.00 0.00 H ATOM 1302 HB3 LEU A 86 16.586 18.532 5.353 1.00 0.00 H ATOM 1303 HG LEU A 86 16.871 16.379 4.326 1.00 0.00 H ATOM 1304 HD21 LEU A 86 14.078 17.540 3.895 1.00 0.00 H ATOM 1305 HD22 LEU A 86 15.577 18.149 3.151 1.00 0.00 H ATOM 1306 HD23 LEU A 86 14.968 16.529 2.730 1.00 0.00 H ATOM 1307 HD11 LEU A 86 15.790 14.984 6.007 1.00 0.00 H ATOM 1308 HD12 LEU A 86 14.201 15.641 5.545 1.00 0.00 H ATOM 1309 HD13 LEU A 86 15.134 14.668 4.382 1.00 0.00 H ATOM 1310 H LEU A 86 16.392 19.400 7.862 1.00 0.00 H ATOM 1311 N ASP A 87 18.740 16.222 7.293 1.00 13.91 N ATOM 1312 CA ASP A 87 20.194 16.086 7.268 1.00 14.48 C ATOM 1313 C ASP A 87 20.587 14.963 6.318 1.00 13.32 C ATOM 1314 O ASP A 87 20.408 13.785 6.626 1.00 12.88 O ATOM 1315 CB ASP A 87 20.712 15.789 8.679 1.00 16.67 C ATOM 1316 CG ASP A 87 22.206 15.529 8.717 1.00 21.93 C ATOM 1317 OD1 ASP A 87 22.862 15.615 7.656 1.00 20.37 O ATOM 1318 OD2 ASP A 87 22.728 15.236 9.821 1.00 24.53 O ATOM 1319 HA ASP A 87 20.638 17.018 6.919 1.00 0.00 H ATOM 1320 HB2 ASP A 87 20.491 16.644 9.318 1.00 0.00 H ATOM 1321 HB3 ASP A 87 20.196 14.908 9.061 1.00 0.00 H ATOM 1322 H ASP A 87 18.161 15.385 7.509 1.00 0.00 H ATOM 1323 N GLY A 88 21.115 15.333 5.158 1.00 13.39 N ATOM 1324 CA GLY A 88 21.445 14.341 4.153 1.00 12.62 C ATOM 1325 C GLY A 88 20.302 13.391 3.820 1.00 13.64 C ATOM 1326 O GLY A 88 20.514 12.188 3.674 1.00 14.68 O ATOM 1327 HA3 GLY A 88 22.286 13.751 4.517 1.00 0.00 H ATOM 1328 HA2 GLY A 88 21.735 14.861 3.240 1.00 0.00 H ATOM 1329 H GLY A 88 21.293 16.340 4.969 1.00 0.00 H ATOM 1330 N GLY A 89 19.090 13.921 3.695 1.00 12.55 N ATOM 1331 CA GLY A 89 17.964 13.085 3.307 1.00 11.02 C ATOM 1332 C GLY A 89 17.299 12.357 4.460 1.00 10.77 C ATOM 1333 O GLY A 89 16.325 11.626 4.257 1.00 11.41 O ATOM 1334 HA3 GLY A 89 18.320 12.342 2.594 1.00 0.00 H ATOM 1335 HA2 GLY A 89 17.218 13.718 2.827 1.00 0.00 H ATOM 1336 H GLY A 89 18.946 14.935 3.875 1.00 0.00 H ATOM 1337 N VAL A 90 17.824 12.550 5.667 1.00 7.89 N ATOM 1338 CA VAL A 90 17.247 11.962 6.874 1.00 10.14 C ATOM 1339 C VAL A 90 16.521 13.034 7.689 1.00 9.43 C ATOM 1340 O VAL A 90 17.106 14.061 8.045 1.00 9.00 O ATOM 1341 CB VAL A 90 18.339 11.322 7.776 1.00 9.95 C ATOM 1342 CG1 VAL A 90 17.708 10.788 9.060 1.00 12.84 C ATOM 1343 CG2 VAL A 90 19.051 10.193 7.033 1.00 9.86 C ATOM 1344 HA VAL A 90 16.550 11.188 6.553 1.00 0.00 H ATOM 1345 HB VAL A 90 19.073 12.087 8.031 1.00 0.00 H ATOM 1346 HG11 VAL A 90 17.233 11.608 9.598 1.00 0.00 H ATOM 1347 HG12 VAL A 90 16.961 10.034 8.810 1.00 0.00 H ATOM 1348 HG13 VAL A 90 18.481 10.342 9.685 1.00 0.00 H ATOM 1349 HG21 VAL A 90 18.326 9.428 6.756 1.00 0.00 H ATOM 1350 HG22 VAL A 90 19.522 10.591 6.134 1.00 0.00 H ATOM 1351 HG23 VAL A 90 19.812 9.757 7.680 1.00 0.00 H ATOM 1352 H VAL A 90 18.676 13.141 5.755 1.00 0.00 H ATOM 1353 N LEU A 91 15.245 12.801 7.979 1.00 8.18 N ATOM 1354 CA LEU A 91 14.509 13.704 8.854 1.00 7.62 C ATOM 1355 C LEU A 91 14.975 13.474 10.280 1.00 6.93 C ATOM 1356 O LEU A 91 14.946 12.351 10.775 1.00 7.01 O ATOM 1357 CB LEU A 91 12.999 13.450 8.754 1.00 8.82 C ATOM 1358 CG LEU A 91 12.272 14.005 7.528 1.00 9.89 C ATOM 1359 CD1 LEU A 91 10.838 13.492 7.515 1.00 10.24 C ATOM 1360 CD2 LEU A 91 12.295 15.531 7.556 1.00 9.12 C ATOM 1361 HA LEU A 91 14.698 14.734 8.553 1.00 0.00 H ATOM 1362 HB2 LEU A 91 12.847 12.371 8.764 1.00 0.00 H ATOM 1363 HB3 LEU A 91 12.534 13.889 9.637 1.00 0.00 H ATOM 1364 HG LEU A 91 12.776 13.670 6.622 1.00 0.00 H ATOM 1365 HD21 LEU A 91 11.798 15.884 8.460 1.00 0.00 H ATOM 1366 HD22 LEU A 91 13.328 15.878 7.549 1.00 0.00 H ATOM 1367 HD23 LEU A 91 11.775 15.917 6.679 1.00 0.00 H ATOM 1368 HD11 LEU A 91 10.843 12.403 7.474 1.00 0.00 H ATOM 1369 HD12 LEU A 91 10.328 13.820 8.421 1.00 0.00 H ATOM 1370 HD13 LEU A 91 10.320 13.887 6.641 1.00 0.00 H ATOM 1371 H LEU A 91 14.768 11.968 7.578 1.00 0.00 H ATOM 1372 N VAL A 92 15.421 14.539 10.935 1.00 7.17 N ATOM 1373 CA VAL A 92 15.910 14.428 12.299 1.00 6.84 C ATOM 1374 C VAL A 92 15.016 15.232 13.234 1.00 6.21 C ATOM 1375 O VAL A 92 14.883 16.445 13.092 1.00 7.96 O ATOM 1376 CB VAL A 92 17.364 14.928 12.403 1.00 7.77 C ATOM 1377 CG1 VAL A 92 17.877 14.765 13.827 1.00 7.10 C ATOM 1378 CG2 VAL A 92 18.242 14.139 11.447 1.00 6.76 C ATOM 1379 HA VAL A 92 15.887 13.378 12.590 1.00 0.00 H ATOM 1380 HB VAL A 92 17.396 15.985 12.138 1.00 0.00 H ATOM 1381 HG11 VAL A 92 17.251 15.344 14.506 1.00 0.00 H ATOM 1382 HG12 VAL A 92 17.841 13.712 14.107 1.00 0.00 H ATOM 1383 HG13 VAL A 92 18.905 15.122 13.885 1.00 0.00 H ATOM 1384 HG21 VAL A 92 18.202 13.081 11.708 1.00 0.00 H ATOM 1385 HG22 VAL A 92 17.882 14.277 10.427 1.00 0.00 H ATOM 1386 HG23 VAL A 92 19.270 14.494 11.522 1.00 0.00 H ATOM 1387 H VAL A 92 15.420 15.467 10.465 1.00 0.00 H ATOM 1388 N HIS A 93 14.413 14.534 14.190 1.00 6.97 N ATOM 1389 CA HIS A 93 13.343 15.072 15.022 1.00 5.75 C ATOM 1390 C HIS A 93 13.804 15.030 16.480 1.00 6.37 C ATOM 1391 O HIS A 93 13.941 13.954 17.060 1.00 5.00 O ATOM 1392 CB HIS A 93 12.099 14.202 14.814 1.00 6.56 C ATOM 1393 CG HIS A 93 10.896 14.629 15.595 1.00 6.20 C ATOM 1394 ND1 HIS A 93 9.667 14.027 15.431 1.00 6.52 N ATOM 1395 CD2 HIS A 93 10.727 15.578 16.546 1.00 6.16 C ATOM 1396 CE1 HIS A 93 8.792 14.586 16.250 1.00 5.86 C ATOM 1397 NE2 HIS A 93 9.409 15.528 16.937 1.00 6.36 N ATOM 1398 HA HIS A 93 13.104 16.102 14.758 1.00 0.00 H ATOM 1399 HB2 HIS A 93 11.842 14.225 13.755 1.00 0.00 H ATOM 1400 HB3 HIS A 93 12.347 13.181 15.104 1.00 0.00 H ATOM 1401 HD2 HIS A 93 11.491 16.254 16.929 1.00 0.00 H ATOM 1402 HE1 HIS A 93 7.740 14.315 16.342 1.00 0.00 H ATOM 1403 H HIS A 93 14.720 13.554 14.353 1.00 0.00 H ATOM 1404 N VAL A 94 14.055 16.200 17.062 1.00 5.18 N ATOM 1405 CA VAL A 94 14.554 16.277 18.434 1.00 7.28 C ATOM 1406 C VAL A 94 13.454 16.829 19.332 1.00 7.49 C ATOM 1407 O VAL A 94 12.867 17.868 19.030 1.00 8.06 O ATOM 1408 CB VAL A 94 15.793 17.203 18.527 1.00 6.51 C ATOM 1409 CG1 VAL A 94 16.336 17.220 19.960 1.00 8.00 C ATOM 1410 CG2 VAL A 94 16.864 16.725 17.563 1.00 9.23 C ATOM 1411 HA VAL A 94 14.845 15.276 18.753 1.00 0.00 H ATOM 1412 HB VAL A 94 15.500 18.218 18.257 1.00 0.00 H ATOM 1413 HG11 VAL A 94 15.564 17.588 20.635 1.00 0.00 H ATOM 1414 HG12 VAL A 94 16.623 16.209 20.250 1.00 0.00 H ATOM 1415 HG13 VAL A 94 17.206 17.875 20.010 1.00 0.00 H ATOM 1416 HG21 VAL A 94 17.154 15.706 17.820 1.00 0.00 H ATOM 1417 HG22 VAL A 94 16.472 16.747 16.546 1.00 0.00 H ATOM 1418 HG23 VAL A 94 17.732 17.380 17.633 1.00 0.00 H ATOM 1419 H VAL A 94 13.893 17.078 16.529 1.00 0.00 H ATOM 1420 N GLN A 95 13.166 16.119 20.419 1.00 6.54 N ATOM 1421 CA GLN A 95 12.170 16.561 21.396 1.00 7.45 C ATOM 1422 C GLN A 95 12.861 16.936 22.708 1.00 8.70 C ATOM 1423 O GLN A 95 13.641 16.154 23.249 1.00 6.70 O ATOM 1424 CB GLN A 95 11.144 15.444 21.659 1.00 7.21 C ATOM 1425 CG GLN A 95 10.248 15.103 20.462 1.00 6.37 C ATOM 1426 CD GLN A 95 9.358 13.892 20.712 1.00 6.37 C ATOM 1427 OE1 GLN A 95 9.659 13.047 21.564 1.00 7.60 O ATOM 1428 NE2 GLN A 95 8.258 13.798 19.965 1.00 3.64 N ATOM 1429 HA GLN A 95 11.652 17.432 20.994 1.00 0.00 H ATOM 1430 HB2 GLN A 95 11.688 14.543 21.944 1.00 0.00 H ATOM 1431 HB3 GLN A 95 10.504 15.757 22.484 1.00 0.00 H ATOM 1432 HG2 GLN A 95 9.613 15.963 20.247 1.00 0.00 H ATOM 1433 HG3 GLN A 95 10.883 14.896 19.600 1.00 0.00 H ATOM 1434 HE22 GLN A 95 8.044 14.532 19.260 1.00 0.00 H ATOM 1435 HE21 GLN A 95 7.614 12.991 20.087 1.00 0.00 H ATOM 1436 H GLN A 95 13.665 15.221 20.580 1.00 0.00 H ATOM 1437 N LYS A 96 12.568 18.136 23.208 1.00 9.30 N ATOM 1438 CA LYS A 96 13.131 18.619 24.469 1.00 10.34 C ATOM 1439 C LYS A 96 12.019 18.801 25.500 1.00 10.33 C ATOM 1440 O LYS A 96 11.006 19.445 25.221 1.00 9.38 O ATOM 1441 CB LYS A 96 13.834 19.967 24.259 1.00 11.03 C ATOM 1442 CG LYS A 96 14.944 19.968 23.220 1.00 14.12 C ATOM 1443 CD LYS A 96 16.053 19.007 23.589 1.00 15.15 C ATOM 1444 CE LYS A 96 17.378 19.414 22.953 1.00 15.43 C ATOM 1445 NZ LYS A 96 18.324 18.252 22.903 1.00 15.56 N ATOM 1446 HA LYS A 96 13.852 17.884 24.826 1.00 0.00 H ATOM 1447 HB2 LYS A 96 13.083 20.694 23.950 1.00 0.00 H ATOM 1448 HB3 LYS A 96 14.265 20.274 25.212 1.00 0.00 H ATOM 1449 HG2 LYS A 96 14.527 19.675 22.256 1.00 0.00 H ATOM 1450 HG3 LYS A 96 15.357 20.974 23.145 1.00 0.00 H ATOM 1451 HD2 LYS A 96 16.168 18.997 24.673 1.00 0.00 H ATOM 1452 HD3 LYS A 96 15.786 18.008 23.244 1.00 0.00 H ATOM 1453 HE2 LYS A 96 17.826 20.215 23.541 1.00 0.00 H ATOM 1454 HE3 LYS A 96 17.194 19.769 21.939 1.00 0.00 H ATOM 1455 HZ1 LYS A 96 18.506 17.913 23.869 1.00 0.00 H ATOM 1456 HZ2 LYS A 96 17.902 17.487 22.339 1.00 0.00 H ATOM 1457 HZ3 LYS A 96 19.218 18.553 22.466 1.00 0.00 H ATOM 1458 H LYS A 96 11.915 18.752 22.682 1.00 0.00 H ATOM 1459 N TRP A 97 12.205 18.238 26.689 1.00 11.05 N ATOM 1460 CA TRP A 97 11.272 18.467 27.784 1.00 11.52 C ATOM 1461 C TRP A 97 11.907 18.116 29.131 1.00 12.94 C ATOM 1462 O TRP A 97 12.676 17.162 29.239 1.00 12.21 O ATOM 1463 CB TRP A 97 9.980 17.656 27.565 1.00 11.83 C ATOM 1464 CG TRP A 97 10.066 16.214 27.984 1.00 12.51 C ATOM 1465 CD1 TRP A 97 9.541 15.656 29.118 1.00 13.10 C ATOM 1466 CD2 TRP A 97 10.749 15.157 27.298 1.00 13.04 C ATOM 1467 NE1 TRP A 97 9.862 14.319 29.180 1.00 13.36 N ATOM 1468 CE2 TRP A 97 10.602 13.989 28.075 1.00 11.94 C ATOM 1469 CE3 TRP A 97 11.473 15.085 26.103 1.00 11.66 C ATOM 1470 CZ2 TRP A 97 11.153 12.767 27.697 1.00 10.82 C ATOM 1471 CZ3 TRP A 97 12.019 13.869 25.732 1.00 11.02 C ATOM 1472 CH2 TRP A 97 11.856 12.727 26.526 1.00 10.63 C ATOM 1473 HA TRP A 97 11.020 19.527 27.800 1.00 0.00 H ATOM 1474 HB2 TRP A 97 9.181 18.129 28.136 1.00 0.00 H ATOM 1475 HB3 TRP A 97 9.734 17.688 26.503 1.00 0.00 H ATOM 1476 HE1 TRP A 97 9.588 13.666 29.941 1.00 0.00 H ATOM 1477 HD1 TRP A 97 8.954 16.192 29.864 1.00 0.00 H ATOM 1478 HZ2 TRP A 97 11.028 11.876 28.312 1.00 0.00 H ATOM 1479 HH2 TRP A 97 12.300 11.785 26.203 1.00 0.00 H ATOM 1480 HZ3 TRP A 97 12.587 13.799 24.804 1.00 0.00 H ATOM 1481 HE3 TRP A 97 11.604 15.968 25.478 1.00 0.00 H ATOM 1482 H TRP A 97 13.030 17.624 26.840 1.00 0.00 H ATOM 1483 N ASP A 98 11.598 18.915 30.150 1.00 14.62 N ATOM 1484 CA ASP A 98 12.058 18.662 31.509 1.00 15.50 C ATOM 1485 C ASP A 98 13.558 18.418 31.599 1.00 15.09 C ATOM 1486 O ASP A 98 14.013 17.639 32.434 1.00 16.41 O ATOM 1487 CB ASP A 98 11.314 17.464 32.103 1.00 17.43 C ATOM 1488 CG ASP A 98 9.888 17.795 32.484 1.00 22.54 C ATOM 1489 OD1 ASP A 98 9.133 16.863 32.832 1.00 25.57 O ATOM 1490 OD2 ASP A 98 9.515 18.988 32.441 1.00 25.28 O ATOM 1491 HA ASP A 98 11.843 19.566 32.079 1.00 0.00 H ATOM 1492 HB2 ASP A 98 11.301 16.661 31.367 1.00 0.00 H ATOM 1493 HB3 ASP A 98 11.845 17.130 32.994 1.00 0.00 H ATOM 1494 H ASP A 98 11.006 19.751 29.969 1.00 0.00 H ATOM 1495 N GLY A 99 14.326 19.085 30.744 1.00 14.97 N ATOM 1496 CA GLY A 99 15.761 18.883 30.750 1.00 15.09 C ATOM 1497 C GLY A 99 16.162 17.582 30.076 1.00 15.27 C ATOM 1498 O GLY A 99 17.336 17.207 30.080 1.00 16.30 O ATOM 1499 HA3 GLY A 99 16.109 18.865 31.783 1.00 0.00 H ATOM 1500 HA2 GLY A 99 16.234 19.712 30.223 1.00 0.00 H ATOM 1501 H GLY A 99 13.897 19.752 30.071 1.00 0.00 H ATOM 1502 N LYS A 100 15.188 16.892 29.493 1.00 13.98 N ATOM 1503 CA LYS A 100 15.458 15.659 28.759 1.00 13.13 C ATOM 1504 C LYS A 100 15.414 15.880 27.247 1.00 12.43 C ATOM 1505 O LYS A 100 14.848 16.866 26.759 1.00 11.34 O ATOM 1506 CB LYS A 100 14.440 14.581 29.135 1.00 14.12 C ATOM 1507 CG LYS A 100 14.350 14.303 30.626 1.00 16.31 C ATOM 1508 CD LYS A 100 13.270 13.278 30.917 1.00 19.46 C ATOM 1509 CE LYS A 100 13.112 13.042 32.408 1.00 20.83 C ATOM 1510 NZ LYS A 100 11.902 12.208 32.694 1.00 22.82 N ATOM 1511 HA LYS A 100 16.462 15.334 29.034 1.00 0.00 H ATOM 1512 HB2 LYS A 100 13.458 14.901 28.787 1.00 0.00 H ATOM 1513 HB3 LYS A 100 14.719 13.656 28.631 1.00 0.00 H ATOM 1514 HG2 LYS A 100 15.309 13.922 30.978 1.00 0.00 H ATOM 1515 HG3 LYS A 100 14.114 15.230 31.149 1.00 0.00 H ATOM 1516 HD2 LYS A 100 12.323 13.637 30.513 1.00 0.00 H ATOM 1517 HD3 LYS A 100 13.536 12.337 30.436 1.00 0.00 H ATOM 1518 HE2 LYS A 100 13.010 14.003 32.912 1.00 0.00 H ATOM 1519 HE3 LYS A 100 13.997 12.528 32.784 1.00 0.00 H ATOM 1520 HZ1 LYS A 100 11.054 12.697 32.341 1.00 0.00 H ATOM 1521 HZ2 LYS A 100 11.996 11.288 32.218 1.00 0.00 H ATOM 1522 HZ3 LYS A 100 11.818 12.062 33.720 1.00 0.00 H ATOM 1523 H LYS A 100 14.210 17.238 29.561 1.00 0.00 H ATOM 1524 N SER A 101 16.019 14.950 26.514 1.00 10.65 N ATOM 1525 CA SER A 101 16.027 14.995 25.057 1.00 10.77 C ATOM 1526 C SER A 101 15.886 13.591 24.469 1.00 10.82 C ATOM 1527 O SER A 101 16.462 12.626 24.977 1.00 10.21 O ATOM 1528 CB SER A 101 17.325 15.643 24.564 1.00 9.99 C ATOM 1529 OG SER A 101 17.393 15.681 23.146 1.00 12.85 O ATOM 1530 HA SER A 101 15.178 15.592 24.725 1.00 0.00 H ATOM 1531 HB2 SER A 101 18.171 15.070 24.942 1.00 0.00 H ATOM 1532 HB3 SER A 101 17.378 16.662 24.947 1.00 0.00 H ATOM 1533 HG SER A 101 17.352 14.758 22.790 1.00 0.00 H ATOM 1534 H SER A 101 16.502 14.165 26.996 1.00 0.00 H ATOM 1535 N THR A 102 15.107 13.480 23.400 1.00 9.06 N ATOM 1536 CA THR A 102 15.091 12.260 22.609 1.00 8.27 C ATOM 1537 C THR A 102 15.142 12.624 21.133 1.00 8.32 C ATOM 1538 O THR A 102 14.560 13.627 20.709 1.00 8.68 O ATOM 1539 CB THR A 102 13.829 11.415 22.893 1.00 9.31 C ATOM 1540 OG1 THR A 102 13.918 10.173 22.180 1.00 8.50 O ATOM 1541 CG2 THR A 102 12.573 12.155 22.457 1.00 8.71 C ATOM 1542 HA THR A 102 15.960 11.662 22.882 1.00 0.00 H ATOM 1543 HB THR A 102 13.770 11.229 23.965 1.00 0.00 H ATOM 1544 HG1 THR A 102 13.110 9.631 22.361 1.00 0.00 H ATOM 1545 HG23 THR A 102 12.503 13.099 22.997 1.00 0.00 H ATOM 1546 HG21 THR A 102 12.622 12.351 21.386 1.00 0.00 H ATOM 1547 HG22 THR A 102 11.698 11.543 22.677 1.00 0.00 H ATOM 1548 H THR A 102 14.499 14.277 23.124 1.00 0.00 H ATOM 1549 N THR A 103 15.850 11.817 20.352 1.00 7.96 N ATOM 1550 CA THR A 103 15.976 12.076 18.927 1.00 7.95 C ATOM 1551 C THR A 103 15.398 10.934 18.101 1.00 7.75 C ATOM 1552 O THR A 103 15.671 9.761 18.358 1.00 7.77 O ATOM 1553 CB THR A 103 17.449 12.302 18.540 1.00 6.39 C ATOM 1554 OG1 THR A 103 17.961 13.407 19.291 1.00 8.55 O ATOM 1555 CG2 THR A 103 17.578 12.617 17.054 1.00 8.07 C ATOM 1556 HA THR A 103 15.408 12.981 18.711 1.00 0.00 H ATOM 1557 HB THR A 103 18.011 11.393 18.757 1.00 0.00 H ATOM 1558 HG1 THR A 103 17.896 13.206 20.258 1.00 0.00 H ATOM 1559 HG23 THR A 103 17.191 11.781 16.472 1.00 0.00 H ATOM 1560 HG21 THR A 103 17.008 13.517 16.824 1.00 0.00 H ATOM 1561 HG22 THR A 103 18.628 12.777 16.808 1.00 0.00 H ATOM 1562 H THR A 103 16.321 10.987 20.766 1.00 0.00 H ATOM 1563 N ILE A 104 14.586 11.295 17.116 1.00 7.19 N ATOM 1564 CA ILE A 104 13.933 10.323 16.258 1.00 6.28 C ATOM 1565 C ILE A 104 14.376 10.609 14.838 1.00 7.19 C ATOM 1566 O ILE A 104 14.253 11.735 14.361 1.00 8.53 O ATOM 1567 CB ILE A 104 12.388 10.445 16.339 1.00 6.50 C ATOM 1568 CG1 ILE A 104 11.926 10.283 17.787 1.00 6.88 C ATOM 1569 CG2 ILE A 104 11.721 9.398 15.444 1.00 6.09 C ATOM 1570 CD1 ILE A 104 11.792 11.598 18.530 1.00 6.02 C ATOM 1571 HA ILE A 104 14.205 9.316 16.574 1.00 0.00 H ATOM 1572 HB ILE A 104 12.095 11.434 15.986 1.00 0.00 H ATOM 1573 HG12 ILE A 104 10.956 9.786 17.786 1.00 0.00 H ATOM 1574 HG13 ILE A 104 12.651 9.661 18.313 1.00 0.00 H ATOM 1575 HD11 ILE A 104 12.758 12.103 18.550 1.00 0.00 H ATOM 1576 HD12 ILE A 104 11.062 12.228 18.022 1.00 0.00 H ATOM 1577 HD13 ILE A 104 11.461 11.405 19.550 1.00 0.00 H ATOM 1578 HG21 ILE A 104 12.036 9.551 14.412 1.00 0.00 H ATOM 1579 HG22 ILE A 104 12.016 8.401 15.771 1.00 0.00 H ATOM 1580 HG23 ILE A 104 10.638 9.499 15.514 1.00 0.00 H ATOM 1581 H ILE A 104 14.412 12.307 16.953 1.00 0.00 H ATOM 1582 N LYS A 105 14.900 9.594 14.160 1.00 8.01 N ATOM 1583 CA LYS A 105 15.308 9.762 12.772 1.00 7.95 C ATOM 1584 C LYS A 105 14.473 8.899 11.840 1.00 7.92 C ATOM 1585 O LYS A 105 14.177 7.743 12.144 1.00 7.56 O ATOM 1586 CB LYS A 105 16.785 9.417 12.616 1.00 9.25 C ATOM 1587 CG LYS A 105 17.699 10.286 13.459 1.00 10.84 C ATOM 1588 CD LYS A 105 19.158 10.009 13.152 1.00 12.23 C ATOM 1589 CE LYS A 105 20.068 10.860 14.019 1.00 14.32 C ATOM 1590 NZ LYS A 105 21.475 10.745 13.546 1.00 17.48 N ATOM 1591 HA LYS A 105 15.148 10.805 12.499 1.00 0.00 H ATOM 1592 HB2 LYS A 105 16.930 8.377 12.909 1.00 0.00 H ATOM 1593 HB3 LYS A 105 17.060 9.540 11.569 1.00 0.00 H ATOM 1594 HG2 LYS A 105 17.485 11.334 13.251 1.00 0.00 H ATOM 1595 HG3 LYS A 105 17.512 10.081 14.513 1.00 0.00 H ATOM 1596 HD2 LYS A 105 19.368 8.956 13.340 1.00 0.00 H ATOM 1597 HD3 LYS A 105 19.351 10.235 12.103 1.00 0.00 H ATOM 1598 HE2 LYS A 105 20.005 10.519 15.052 1.00 0.00 H ATOM 1599 HE3 LYS A 105 19.751 11.901 13.962 1.00 0.00 H ATOM 1600 HZ1 LYS A 105 21.778 9.752 13.602 1.00 0.00 H ATOM 1601 HZ2 LYS A 105 21.536 11.072 12.561 1.00 0.00 H ATOM 1602 HZ3 LYS A 105 22.090 11.331 14.146 1.00 0.00 H ATOM 1603 H LYS A 105 15.020 8.671 14.624 1.00 0.00 H ATOM 1604 N ARG A 106 14.095 9.475 10.704 1.00 6.01 N ATOM 1605 CA ARG A 106 13.308 8.767 9.703 1.00 7.84 C ATOM 1606 C ARG A 106 14.026 8.846 8.366 1.00 8.33 C ATOM 1607 O ARG A 106 14.477 9.913 7.954 1.00 6.77 O ATOM 1608 CB ARG A 106 11.917 9.395 9.594 1.00 7.02 C ATOM 1609 CG ARG A 106 11.149 9.358 10.906 1.00 6.39 C ATOM 1610 CD ARG A 106 9.933 10.264 10.899 1.00 7.05 C ATOM 1611 NE ARG A 106 9.112 10.048 12.092 1.00 7.37 N ATOM 1612 CZ ARG A 106 9.124 10.828 13.168 1.00 7.93 C ATOM 1613 NH1 ARG A 106 9.913 11.891 13.216 1.00 6.27 N ATOM 1614 NH2 ARG A 106 8.344 10.543 14.202 1.00 9.06 N ATOM 1615 HA ARG A 106 13.194 7.723 9.994 1.00 0.00 H ATOM 1616 HB2 ARG A 106 12.027 10.434 9.284 1.00 0.00 H ATOM 1617 HB3 ARG A 106 11.347 8.851 8.841 1.00 0.00 H ATOM 1618 HG2 ARG A 106 10.821 8.335 11.089 1.00 0.00 H ATOM 1619 HG3 ARG A 106 11.815 9.674 11.709 1.00 0.00 H ATOM 1620 HD2 ARG A 106 9.336 10.053 10.012 1.00 0.00 H ATOM 1621 HD3 ARG A 106 10.262 11.303 10.875 1.00 0.00 H ATOM 1622 HE ARG A 106 8.475 9.226 12.098 1.00 0.00 H ATOM 1623 HH12 ARG A 106 9.918 12.497 14.061 1.00 0.00 H ATOM 1624 HH11 ARG A 106 10.528 12.119 12.409 1.00 0.00 H ATOM 1625 HH22 ARG A 106 8.353 11.153 15.044 1.00 0.00 H ATOM 1626 HH21 ARG A 106 7.723 9.709 14.171 1.00 0.00 H ATOM 1627 H ARG A 106 14.369 10.462 10.524 1.00 0.00 H ATOM 1628 N LYS A 107 14.143 7.708 7.697 1.00 9.41 N ATOM 1629 CA LYS A 107 14.861 7.653 6.433 1.00 10.66 C ATOM 1630 C LYS A 107 14.203 6.641 5.517 1.00 10.11 C ATOM 1631 O LYS A 107 13.610 5.663 5.982 1.00 8.97 O ATOM 1632 CB LYS A 107 16.317 7.247 6.665 1.00 12.63 C ATOM 1633 CG LYS A 107 16.478 5.847 7.234 1.00 14.98 C ATOM 1634 CD LYS A 107 17.920 5.574 7.649 1.00 20.01 C ATOM 1635 CE LYS A 107 18.036 4.274 8.437 1.00 22.93 C ATOM 1636 NZ LYS A 107 17.720 3.082 7.592 1.00 25.15 N ATOM 1637 HA LYS A 107 14.834 8.641 5.974 1.00 0.00 H ATOM 1638 HB2 LYS A 107 16.844 7.294 5.712 1.00 0.00 H ATOM 1639 HB3 LYS A 107 16.765 7.955 7.362 1.00 0.00 H ATOM 1640 HG2 LYS A 107 15.832 5.742 8.106 1.00 0.00 H ATOM 1641 HG3 LYS A 107 16.184 5.121 6.476 1.00 0.00 H ATOM 1642 HD2 LYS A 107 18.539 5.503 6.755 1.00 0.00 H ATOM 1643 HD3 LYS A 107 18.273 6.398 8.270 1.00 0.00 H ATOM 1644 HE2 LYS A 107 17.341 4.306 9.276 1.00 0.00 H ATOM 1645 HE3 LYS A 107 19.054 4.179 8.814 1.00 0.00 H ATOM 1646 HZ1 LYS A 107 16.747 3.161 7.233 1.00 0.00 H ATOM 1647 HZ2 LYS A 107 18.383 3.040 6.792 1.00 0.00 H ATOM 1648 HZ3 LYS A 107 17.810 2.219 8.165 1.00 0.00 H ATOM 1649 H LYS A 107 13.715 6.841 8.081 1.00 0.00 H ATOM 1650 N ARG A 108 14.315 6.879 4.215 1.00 8.65 N ATOM 1651 CA ARG A 108 13.906 5.896 3.225 1.00 10.10 C ATOM 1652 C ARG A 108 15.022 4.896 2.973 1.00 11.23 C ATOM 1653 O ARG A 108 16.173 5.269 2.724 1.00 11.28 O ATOM 1654 CB ARG A 108 13.529 6.584 1.912 1.00 10.17 C ATOM 1655 CG ARG A 108 12.126 7.163 1.899 1.00 11.75 C ATOM 1656 CD ARG A 108 11.064 6.074 2.030 1.00 11.76 C ATOM 1657 NE ARG A 108 11.216 4.981 1.065 1.00 14.06 N ATOM 1658 CZ ARG A 108 10.823 5.038 -0.205 1.00 14.30 C ATOM 1659 NH1 ARG A 108 10.256 6.137 -0.685 1.00 14.63 N ATOM 1660 NH2 ARG A 108 10.975 3.985 -0.994 1.00 17.97 N ATOM 1661 HA ARG A 108 13.036 5.367 3.613 1.00 0.00 H ATOM 1662 HB2 ARG A 108 14.236 7.394 1.734 1.00 0.00 H ATOM 1663 HB3 ARG A 108 13.606 5.853 1.107 1.00 0.00 H ATOM 1664 HG2 ARG A 108 12.023 7.859 2.732 1.00 0.00 H ATOM 1665 HG3 ARG A 108 11.972 7.696 0.961 1.00 0.00 H ATOM 1666 HD2 ARG A 108 10.085 6.529 1.883 1.00 0.00 H ATOM 1667 HD3 ARG A 108 11.122 5.656 3.035 1.00 0.00 H ATOM 1668 HE ARG A 108 11.661 4.101 1.395 1.00 0.00 H ATOM 1669 HH12 ARG A 108 9.952 6.174 -1.679 1.00 0.00 H ATOM 1670 HH11 ARG A 108 10.116 6.962 -0.068 1.00 0.00 H ATOM 1671 HH22 ARG A 108 10.668 4.030 -1.987 1.00 0.00 H ATOM 1672 HH21 ARG A 108 11.402 3.113 -0.621 1.00 0.00 H ATOM 1673 H ARG A 108 14.704 7.789 3.897 1.00 0.00 H ATOM 1674 N GLU A 109 14.672 3.619 3.046 1.00 11.66 N ATOM 1675 CA GLU A 109 15.616 2.548 2.780 1.00 12.77 C ATOM 1676 C GLU A 109 14.891 1.500 1.947 1.00 12.96 C ATOM 1677 O GLU A 109 13.898 0.919 2.394 1.00 12.49 O ATOM 1678 CB GLU A 109 16.099 1.947 4.101 1.00 14.50 C ATOM 1679 CG GLU A 109 17.149 0.868 3.955 1.00 17.67 C ATOM 1680 CD GLU A 109 17.589 0.325 5.298 1.00 20.97 C ATOM 1681 OE1 GLU A 109 18.205 1.087 6.072 1.00 22.46 O ATOM 1682 OE2 GLU A 109 17.312 -0.859 5.584 1.00 22.41 O ATOM 1683 HA GLU A 109 16.489 2.918 2.242 1.00 0.00 H ATOM 1684 HB2 GLU A 109 16.518 2.750 4.707 1.00 0.00 H ATOM 1685 HB3 GLU A 109 15.239 1.517 4.614 1.00 0.00 H ATOM 1686 HG2 GLU A 109 16.736 0.052 3.362 1.00 0.00 H ATOM 1687 HG3 GLU A 109 18.015 1.286 3.442 1.00 0.00 H ATOM 1688 H GLU A 109 13.693 3.378 3.301 1.00 0.00 H ATOM 1689 N ASP A 110 15.379 1.275 0.730 1.00 10.95 N ATOM 1690 CA ASP A 110 14.640 0.486 -0.243 1.00 11.83 C ATOM 1691 C ASP A 110 13.184 0.946 -0.243 1.00 11.11 C ATOM 1692 O ASP A 110 12.909 2.137 -0.353 1.00 11.06 O ATOM 1693 CB ASP A 110 14.746 -1.000 0.105 1.00 12.30 C ATOM 1694 CG ASP A 110 16.188 -1.478 0.147 1.00 13.23 C ATOM 1695 OD1 ASP A 110 16.977 -1.052 -0.716 1.00 17.12 O ATOM 1696 OD2 ASP A 110 16.542 -2.270 1.040 1.00 17.47 O ATOM 1697 HA ASP A 110 15.058 0.628 -1.240 1.00 0.00 H ATOM 1698 HB2 ASP A 110 14.292 -1.165 1.082 1.00 0.00 H ATOM 1699 HB3 ASP A 110 14.207 -1.576 -0.647 1.00 0.00 H ATOM 1700 H ASP A 110 16.305 1.670 0.470 1.00 0.00 H ATOM 1701 N ASP A 111 12.248 0.017 -0.115 1.00 12.42 N ATOM 1702 CA ASP A 111 10.838 0.395 -0.116 1.00 13.19 C ATOM 1703 C ASP A 111 10.293 0.683 1.278 1.00 13.11 C ATOM 1704 O ASP A 111 9.085 0.837 1.451 1.00 13.27 O ATOM 1705 CB ASP A 111 9.994 -0.698 -0.778 1.00 15.16 C ATOM 1706 CG ASP A 111 10.138 -0.710 -2.286 1.00 14.50 C ATOM 1707 OD1 ASP A 111 10.199 0.381 -2.892 1.00 14.58 O ATOM 1708 OD2 ASP A 111 10.192 -1.813 -2.866 1.00 16.14 O ATOM 1709 HA ASP A 111 10.770 1.321 -0.687 1.00 0.00 H ATOM 1710 HB2 ASP A 111 10.309 -1.666 -0.389 1.00 0.00 H ATOM 1711 HB3 ASP A 111 8.946 -0.530 -0.528 1.00 0.00 H ATOM 1712 H ASP A 111 12.518 -0.982 -0.014 1.00 0.00 H ATOM 1713 N LYS A 112 11.180 0.762 2.268 1.00 11.78 N ATOM 1714 CA LYS A 112 10.764 1.003 3.651 1.00 10.68 C ATOM 1715 C LYS A 112 10.984 2.448 4.090 1.00 9.37 C ATOM 1716 O LYS A 112 11.868 3.142 3.587 1.00 8.71 O ATOM 1717 CB LYS A 112 11.524 0.078 4.607 1.00 13.03 C ATOM 1718 CG LYS A 112 11.291 -1.404 4.369 1.00 16.65 C ATOM 1719 CD LYS A 112 12.563 -2.202 4.636 1.00 20.08 C ATOM 1720 CE LYS A 112 13.722 -1.632 3.829 1.00 23.71 C ATOM 1721 NZ LYS A 112 14.939 -2.506 3.804 1.00 26.25 N ATOM 1722 HA LYS A 112 9.694 0.796 3.689 1.00 0.00 H ATOM 1723 HB2 LYS A 112 12.590 0.277 4.498 1.00 0.00 H ATOM 1724 HB3 LYS A 112 11.214 0.312 5.626 1.00 0.00 H ATOM 1725 HG2 LYS A 112 10.503 -1.754 5.036 1.00 0.00 H ATOM 1726 HG3 LYS A 112 10.984 -1.556 3.334 1.00 0.00 H ATOM 1727 HD2 LYS A 112 12.804 -2.151 5.698 1.00 0.00 H ATOM 1728 HD3 LYS A 112 12.402 -3.242 4.351 1.00 0.00 H ATOM 1729 HE2 LYS A 112 14.000 -0.670 4.261 1.00 0.00 H ATOM 1730 HE3 LYS A 112 13.385 -1.485 2.803 1.00 0.00 H ATOM 1731 HZ1 LYS A 112 15.282 -2.648 4.775 1.00 0.00 H ATOM 1732 HZ2 LYS A 112 14.695 -3.425 3.383 1.00 0.00 H ATOM 1733 HZ3 LYS A 112 15.681 -2.049 3.236 1.00 0.00 H ATOM 1734 H LYS A 112 12.192 0.650 2.054 1.00 0.00 H ATOM 1735 N LEU A 113 10.164 2.888 5.034 1.00 8.22 N ATOM 1736 CA LEU A 113 10.447 4.091 5.792 1.00 9.70 C ATOM 1737 C LEU A 113 10.854 3.616 7.184 1.00 8.69 C ATOM 1738 O LEU A 113 10.054 3.021 7.904 1.00 9.89 O ATOM 1739 CB LEU A 113 9.198 4.979 5.860 1.00 9.63 C ATOM 1740 CG LEU A 113 9.416 6.419 6.334 1.00 10.85 C ATOM 1741 CD1 LEU A 113 8.145 7.239 6.150 1.00 9.15 C ATOM 1742 CD2 LEU A 113 9.840 6.399 7.784 1.00 10.32 C ATOM 1743 HA LEU A 113 11.235 4.687 5.332 1.00 0.00 H ATOM 1744 HB2 LEU A 113 8.764 5.020 4.861 1.00 0.00 H ATOM 1745 HB3 LEU A 113 8.491 4.507 6.543 1.00 0.00 H ATOM 1746 HG LEU A 113 10.200 6.887 5.738 1.00 0.00 H ATOM 1747 HD21 LEU A 113 9.061 5.928 8.383 1.00 0.00 H ATOM 1748 HD22 LEU A 113 10.767 5.834 7.882 1.00 0.00 H ATOM 1749 HD23 LEU A 113 9.997 7.421 8.129 1.00 0.00 H ATOM 1750 HD11 LEU A 113 7.871 7.250 5.095 1.00 0.00 H ATOM 1751 HD12 LEU A 113 7.339 6.792 6.731 1.00 0.00 H ATOM 1752 HD13 LEU A 113 8.319 8.259 6.492 1.00 0.00 H ATOM 1753 H LEU A 113 9.294 2.356 5.236 1.00 0.00 H ATOM 1754 N VAL A 114 12.108 3.863 7.545 1.00 8.66 N ATOM 1755 CA VAL A 114 12.656 3.361 8.802 1.00 8.00 C ATOM 1756 C VAL A 114 12.710 4.465 9.849 1.00 7.57 C ATOM 1757 O VAL A 114 13.312 5.516 9.622 1.00 7.09 O ATOM 1758 CB VAL A 114 14.079 2.793 8.585 1.00 8.65 C ATOM 1759 CG1 VAL A 114 14.696 2.371 9.913 1.00 9.42 C ATOM 1760 CG2 VAL A 114 14.011 1.601 7.639 1.00 8.87 C ATOM 1761 HA VAL A 114 12.000 2.566 9.157 1.00 0.00 H ATOM 1762 HB VAL A 114 14.706 3.569 8.147 1.00 0.00 H ATOM 1763 HG11 VAL A 114 14.757 3.235 10.575 1.00 0.00 H ATOM 1764 HG12 VAL A 114 14.075 1.603 10.373 1.00 0.00 H ATOM 1765 HG13 VAL A 114 15.696 1.975 9.738 1.00 0.00 H ATOM 1766 HG21 VAL A 114 13.374 0.830 8.073 1.00 0.00 H ATOM 1767 HG22 VAL A 114 13.597 1.921 6.683 1.00 0.00 H ATOM 1768 HG23 VAL A 114 15.014 1.202 7.487 1.00 0.00 H ATOM 1769 H VAL A 114 12.715 4.428 6.917 1.00 0.00 H ATOM 1770 N VAL A 115 12.077 4.219 10.993 1.00 6.67 N ATOM 1771 CA VAL A 115 12.076 5.175 12.094 1.00 6.37 C ATOM 1772 C VAL A 115 12.934 4.663 13.249 1.00 7.77 C ATOM 1773 O VAL A 115 12.699 3.574 13.783 1.00 9.10 O ATOM 1774 CB VAL A 115 10.644 5.424 12.623 1.00 5.43 C ATOM 1775 CG1 VAL A 115 10.675 6.455 13.742 1.00 4.34 C ATOM 1776 CG2 VAL A 115 9.748 5.897 11.490 1.00 5.36 C ATOM 1777 HA VAL A 115 12.485 6.109 11.708 1.00 0.00 H ATOM 1778 HB VAL A 115 10.242 4.492 13.020 1.00 0.00 H ATOM 1779 HG11 VAL A 115 11.300 6.087 14.556 1.00 0.00 H ATOM 1780 HG12 VAL A 115 11.085 7.390 13.361 1.00 0.00 H ATOM 1781 HG13 VAL A 115 9.662 6.623 14.108 1.00 0.00 H ATOM 1782 HG21 VAL A 115 10.145 6.824 11.077 1.00 0.00 H ATOM 1783 HG22 VAL A 115 9.716 5.135 10.711 1.00 0.00 H ATOM 1784 HG23 VAL A 115 8.742 6.070 11.872 1.00 0.00 H ATOM 1785 H VAL A 115 11.568 3.319 11.105 1.00 0.00 H ATOM 1786 N GLU A 116 13.932 5.454 13.627 1.00 7.22 N ATOM 1787 CA GLU A 116 14.810 5.094 14.729 1.00 8.08 C ATOM 1788 C GLU A 116 14.651 6.075 15.881 1.00 8.19 C ATOM 1789 O GLU A 116 14.938 7.266 15.745 1.00 8.01 O ATOM 1790 CB GLU A 116 16.266 5.074 14.261 1.00 11.74 C ATOM 1791 CG GLU A 116 16.577 3.930 13.309 1.00 18.77 C ATOM 1792 CD GLU A 116 17.892 4.112 12.581 1.00 22.28 C ATOM 1793 OE1 GLU A 116 18.356 5.268 12.459 1.00 25.10 O ATOM 1794 OE2 GLU A 116 18.464 3.096 12.128 1.00 25.87 O ATOM 1795 HA GLU A 116 14.534 4.098 15.076 1.00 0.00 H ATOM 1796 HB2 GLU A 116 16.479 6.015 13.753 1.00 0.00 H ATOM 1797 HB3 GLU A 116 16.909 4.981 15.136 1.00 0.00 H ATOM 1798 HG2 GLU A 116 16.621 3.003 13.881 1.00 0.00 H ATOM 1799 HG3 GLU A 116 15.777 3.863 12.572 1.00 0.00 H ATOM 1800 H GLU A 116 14.089 6.351 13.124 1.00 0.00 H ATOM 1801 N CYS A 117 14.193 5.563 17.018 1.00 7.78 N ATOM 1802 CA CYS A 117 13.961 6.395 18.191 1.00 7.66 C ATOM 1803 C CYS A 117 15.044 6.123 19.217 1.00 8.33 C ATOM 1804 O CYS A 117 15.237 4.980 19.633 1.00 7.14 O ATOM 1805 CB CYS A 117 12.595 6.079 18.799 1.00 9.94 C ATOM 1806 SG CYS A 117 11.232 6.116 17.620 1.00 9.33 S ATOM 1807 HA CYS A 117 13.983 7.444 17.896 1.00 0.00 H ATOM 1808 HB2 CYS A 117 12.391 6.811 19.580 1.00 0.00 H ATOM 1809 HB3 CYS A 117 12.639 5.083 19.239 1.00 0.00 H ATOM 1810 HG CYS A 117 10.053 5.818 18.273 1.00 0.00 H ATOM 1811 H CYS A 117 13.995 4.543 17.072 1.00 0.00 H ATOM 1812 N VAL A 118 15.749 7.171 19.629 1.00 7.74 N ATOM 1813 CA VAL A 118 16.844 7.001 20.576 1.00 9.27 C ATOM 1814 C VAL A 118 16.663 7.843 21.824 1.00 8.86 C ATOM 1815 O VAL A 118 16.250 9.000 21.754 1.00 8.97 O ATOM 1816 CB VAL A 118 18.206 7.359 19.942 1.00 8.44 C ATOM 1817 CG1 VAL A 118 19.306 7.211 20.978 1.00 10.50 C ATOM 1818 CG2 VAL A 118 18.479 6.457 18.750 1.00 7.92 C ATOM 1819 HA VAL A 118 16.831 5.947 20.853 1.00 0.00 H ATOM 1820 HB VAL A 118 18.181 8.393 19.597 1.00 0.00 H ATOM 1821 HG11 VAL A 118 19.108 7.881 21.814 1.00 0.00 H ATOM 1822 HG12 VAL A 118 19.332 6.181 21.334 1.00 0.00 H ATOM 1823 HG13 VAL A 118 20.265 7.465 20.526 1.00 0.00 H ATOM 1824 HG21 VAL A 118 18.498 5.418 19.079 1.00 0.00 H ATOM 1825 HG22 VAL A 118 17.692 6.590 18.008 1.00 0.00 H ATOM 1826 HG23 VAL A 118 19.442 6.719 18.311 1.00 0.00 H ATOM 1827 H VAL A 118 15.518 8.120 19.273 1.00 0.00 H ATOM 1828 N MET A 119 16.971 7.241 22.968 1.00 11.23 N ATOM 1829 CA MET A 119 16.999 7.950 24.241 1.00 12.99 C ATOM 1830 C MET A 119 17.966 7.294 25.214 1.00 13.33 C ATOM 1831 O MET A 119 17.843 6.105 25.521 1.00 13.77 O ATOM 1832 CB MET A 119 15.617 7.977 24.880 1.00 12.36 C ATOM 1833 CG MET A 119 15.647 8.478 26.319 1.00 14.83 C ATOM 1834 SD MET A 119 14.473 9.786 26.530 1.00 15.51 S ATOM 1835 CE MET A 119 15.130 10.683 27.965 1.00 17.11 C ATOM 1836 HA MET A 119 17.328 8.968 24.031 1.00 0.00 H ATOM 1837 HB2 MET A 119 14.974 8.634 24.294 1.00 0.00 H ATOM 1838 HB3 MET A 119 15.208 6.967 24.870 1.00 0.00 H ATOM 1839 HG2 MET A 119 16.646 8.848 26.552 1.00 0.00 H ATOM 1840 HG3 MET A 119 15.399 7.658 26.992 1.00 0.00 H ATOM 1841 HE1 MET A 119 15.173 10.012 28.823 1.00 0.00 H ATOM 1842 HE2 MET A 119 16.132 11.047 27.737 1.00 0.00 H ATOM 1843 HE3 MET A 119 14.479 11.526 28.194 1.00 0.00 H ATOM 1844 H MET A 119 17.200 6.227 22.954 1.00 0.00 H ATOM 1845 N LYS A 120 18.917 8.082 25.705 1.00 15.55 N ATOM 1846 CA LYS A 120 19.865 7.630 26.719 1.00 15.69 C ATOM 1847 C LYS A 120 20.404 6.222 26.475 1.00 15.18 C ATOM 1848 O LYS A 120 20.494 5.418 27.403 1.00 15.89 O ATOM 1849 CB LYS A 120 19.227 7.697 28.110 1.00 18.08 C ATOM 1850 CG LYS A 120 18.973 9.114 28.607 1.00 20.64 C ATOM 1851 CD LYS A 120 18.900 9.156 30.127 1.00 24.60 C ATOM 1852 CE LYS A 120 17.462 9.226 30.618 1.00 27.65 C ATOM 1853 NZ LYS A 120 16.667 8.010 30.270 1.00 27.68 N ATOM 1854 HA LYS A 120 20.716 8.308 26.655 1.00 0.00 H ATOM 1855 HB2 LYS A 120 18.274 7.169 28.076 1.00 0.00 H ATOM 1856 HB3 LYS A 120 19.891 7.200 28.817 1.00 0.00 H ATOM 1857 HG2 LYS A 120 19.784 9.760 28.271 1.00 0.00 H ATOM 1858 HG3 LYS A 120 18.030 9.473 28.195 1.00 0.00 H ATOM 1859 HD2 LYS A 120 19.368 8.257 30.529 1.00 0.00 H ATOM 1860 HD3 LYS A 120 19.439 10.034 30.483 1.00 0.00 H ATOM 1861 HE2 LYS A 120 16.983 10.095 30.168 1.00 0.00 H ATOM 1862 HE3 LYS A 120 17.470 9.338 31.702 1.00 0.00 H ATOM 1863 HZ1 LYS A 120 16.644 7.897 29.236 1.00 0.00 H ATOM 1864 HZ2 LYS A 120 17.109 7.173 30.702 1.00 0.00 H ATOM 1865 HZ3 LYS A 120 15.697 8.116 30.630 1.00 0.00 H ATOM 1866 H LYS A 120 18.989 9.058 25.353 1.00 0.00 H ATOM 1867 N GLY A 121 20.768 5.931 25.229 1.00 13.28 N ATOM 1868 CA GLY A 121 21.423 4.666 24.932 1.00 13.42 C ATOM 1869 C GLY A 121 20.507 3.581 24.393 1.00 11.43 C ATOM 1870 O GLY A 121 20.972 2.586 23.843 1.00 10.26 O ATOM 1871 HA3 GLY A 121 21.880 4.298 25.850 1.00 0.00 H ATOM 1872 HA2 GLY A 121 22.200 4.853 24.190 1.00 0.00 H ATOM 1873 H GLY A 121 20.584 6.611 24.464 1.00 0.00 H ATOM 1874 N VAL A 122 19.202 3.775 24.551 1.00 11.41 N ATOM 1875 CA VAL A 122 18.210 2.807 24.096 1.00 10.54 C ATOM 1876 C VAL A 122 17.649 3.197 22.736 1.00 11.01 C ATOM 1877 O VAL A 122 17.161 4.315 22.560 1.00 11.23 O ATOM 1878 CB VAL A 122 17.048 2.708 25.099 1.00 10.90 C ATOM 1879 CG1 VAL A 122 15.983 1.763 24.571 1.00 10.46 C ATOM 1880 CG2 VAL A 122 17.575 2.221 26.444 1.00 11.85 C ATOM 1881 HA VAL A 122 18.711 1.842 24.017 1.00 0.00 H ATOM 1882 HB VAL A 122 16.599 3.693 25.231 1.00 0.00 H ATOM 1883 HG11 VAL A 122 15.605 2.139 23.620 1.00 0.00 H ATOM 1884 HG12 VAL A 122 16.417 0.774 24.426 1.00 0.00 H ATOM 1885 HG13 VAL A 122 15.166 1.701 25.289 1.00 0.00 H ATOM 1886 HG21 VAL A 122 18.032 1.239 26.320 1.00 0.00 H ATOM 1887 HG22 VAL A 122 18.319 2.925 26.818 1.00 0.00 H ATOM 1888 HG23 VAL A 122 16.750 2.152 27.153 1.00 0.00 H ATOM 1889 H VAL A 122 18.877 4.647 25.015 1.00 0.00 H ATOM 1890 N THR A 123 17.723 2.276 21.778 1.00 9.77 N ATOM 1891 CA THR A 123 17.232 2.535 20.431 1.00 10.78 C ATOM 1892 C THR A 123 16.095 1.593 20.062 1.00 11.85 C ATOM 1893 O THR A 123 16.183 0.383 20.266 1.00 13.43 O ATOM 1894 CB THR A 123 18.344 2.363 19.374 1.00 11.99 C ATOM 1895 OG1 THR A 123 19.460 3.193 19.715 1.00 13.90 O ATOM 1896 CG2 THR A 123 17.829 2.759 17.989 1.00 12.67 C ATOM 1897 HA THR A 123 16.880 3.566 20.434 1.00 0.00 H ATOM 1898 HB THR A 123 18.650 1.317 19.355 1.00 0.00 H ATOM 1899 HG1 THR A 123 19.806 2.930 20.604 1.00 0.00 H ATOM 1900 HG23 THR A 123 16.979 2.130 17.725 1.00 0.00 H ATOM 1901 HG21 THR A 123 17.518 3.804 18.003 1.00 0.00 H ATOM 1902 HG22 THR A 123 18.624 2.625 17.255 1.00 0.00 H ATOM 1903 H THR A 123 18.141 1.349 21.996 1.00 0.00 H ATOM 1904 N SER A 124 15.028 2.154 19.512 1.00 10.88 N ATOM 1905 CA SER A 124 13.972 1.348 18.929 1.00 9.23 C ATOM 1906 C SER A 124 13.934 1.587 17.432 1.00 8.77 C ATOM 1907 O SER A 124 14.103 2.716 16.967 1.00 8.01 O ATOM 1908 CB SER A 124 12.621 1.713 19.548 1.00 8.93 C ATOM 1909 OG SER A 124 11.568 1.035 18.886 1.00 8.60 O ATOM 1910 HA SER A 124 14.171 0.295 19.129 1.00 0.00 H ATOM 1911 HB2 SER A 124 12.466 2.788 19.460 1.00 0.00 H ATOM 1912 HB3 SER A 124 12.622 1.432 20.601 1.00 0.00 H ATOM 1913 HG SER A 124 11.704 0.058 18.967 1.00 0.00 H ATOM 1914 H SER A 124 14.946 3.191 19.498 1.00 0.00 H ATOM 1915 N THR A 125 13.726 0.520 16.673 1.00 9.12 N ATOM 1916 CA THR A 125 13.567 0.653 15.233 1.00 7.40 C ATOM 1917 C THR A 125 12.153 0.245 14.872 1.00 7.52 C ATOM 1918 O THR A 125 11.712 -0.846 15.211 1.00 8.02 O ATOM 1919 CB THR A 125 14.561 -0.243 14.470 1.00 8.06 C ATOM 1920 OG1 THR A 125 15.895 0.125 14.826 1.00 10.34 O ATOM 1921 CG2 THR A 125 14.386 -0.085 12.963 1.00 7.65 C ATOM 1922 HA THR A 125 13.763 1.688 14.952 1.00 0.00 H ATOM 1923 HB THR A 125 14.370 -1.282 14.738 1.00 0.00 H ATOM 1924 HG1 THR A 125 16.020 0.006 15.801 1.00 0.00 H ATOM 1925 HG23 THR A 125 13.370 -0.364 12.685 1.00 0.00 H ATOM 1926 HG21 THR A 125 14.568 0.953 12.684 1.00 0.00 H ATOM 1927 HG22 THR A 125 15.096 -0.731 12.446 1.00 0.00 H ATOM 1928 H THR A 125 13.676 -0.422 17.112 1.00 0.00 H ATOM 1929 N ARG A 126 11.443 1.140 14.198 1.00 7.13 N ATOM 1930 CA ARG A 126 10.108 0.851 13.703 1.00 8.23 C ATOM 1931 C ARG A 126 10.150 0.913 12.181 1.00 7.83 C ATOM 1932 O ARG A 126 10.570 1.918 11.610 1.00 8.48 O ATOM 1933 CB ARG A 126 9.124 1.896 14.224 1.00 8.15 C ATOM 1934 CG ARG A 126 9.219 2.154 15.714 1.00 10.45 C ATOM 1935 CD ARG A 126 8.234 1.291 16.461 1.00 9.73 C ATOM 1936 NE ARG A 126 6.869 1.777 16.309 1.00 10.67 N ATOM 1937 CZ ARG A 126 5.815 1.189 16.865 1.00 12.59 C ATOM 1938 NH1 ARG A 126 5.980 0.098 17.599 1.00 9.21 N ATOM 1939 NH2 ARG A 126 4.601 1.701 16.703 1.00 11.14 N ATOM 1940 HA ARG A 126 9.786 -0.134 14.041 1.00 0.00 H ATOM 1941 HB2 ARG A 126 9.314 2.834 13.702 1.00 0.00 H ATOM 1942 HB3 ARG A 126 8.113 1.555 14.000 1.00 0.00 H ATOM 1943 HG2 ARG A 126 10.229 1.925 16.055 1.00 0.00 H ATOM 1944 HG3 ARG A 126 9.000 3.203 15.912 1.00 0.00 H ATOM 1945 HD2 ARG A 126 8.494 1.292 17.520 1.00 0.00 H ATOM 1946 HD3 ARG A 126 8.292 0.273 16.075 1.00 0.00 H ATOM 1947 HE ARG A 126 6.711 2.630 15.735 1.00 0.00 H ATOM 1948 HH12 ARG A 126 5.157 -0.364 18.035 1.00 0.00 H ATOM 1949 HH11 ARG A 126 6.932 -0.296 17.739 1.00 0.00 H ATOM 1950 HH22 ARG A 126 3.779 1.238 17.140 1.00 0.00 H ATOM 1951 HH21 ARG A 126 4.472 2.565 16.139 1.00 0.00 H ATOM 1952 H ARG A 126 11.855 2.078 14.018 1.00 0.00 H ATOM 1953 N VAL A 127 9.721 -0.154 11.515 1.00 7.52 N ATOM 1954 CA VAL A 127 9.753 -0.159 10.058 1.00 7.43 C ATOM 1955 C VAL A 127 8.353 0.010 9.478 1.00 7.78 C ATOM 1956 O VAL A 127 7.409 -0.658 9.906 1.00 8.16 O ATOM 1957 CB VAL A 127 10.382 -1.464 9.509 1.00 8.16 C ATOM 1958 CG1 VAL A 127 10.443 -1.406 7.991 1.00 7.95 C ATOM 1959 CG2 VAL A 127 11.793 -1.651 10.079 1.00 5.58 C ATOM 1960 HA VAL A 127 10.372 0.684 9.751 1.00 0.00 H ATOM 1961 HB VAL A 127 9.764 -2.309 9.812 1.00 0.00 H ATOM 1962 HG11 VAL A 127 9.435 -1.295 7.592 1.00 0.00 H ATOM 1963 HG12 VAL A 127 11.052 -0.555 7.685 1.00 0.00 H ATOM 1964 HG13 VAL A 127 10.886 -2.326 7.611 1.00 0.00 H ATOM 1965 HG21 VAL A 127 12.416 -0.804 9.790 1.00 0.00 H ATOM 1966 HG22 VAL A 127 11.740 -1.709 11.166 1.00 0.00 H ATOM 1967 HG23 VAL A 127 12.224 -2.572 9.685 1.00 0.00 H ATOM 1968 H VAL A 127 9.364 -0.983 12.032 1.00 0.00 H ATOM 1969 N TYR A 128 8.232 0.919 8.511 1.00 7.42 N ATOM 1970 CA TYR A 128 6.974 1.157 7.802 1.00 8.17 C ATOM 1971 C TYR A 128 7.123 0.851 6.318 1.00 9.49 C ATOM 1972 O TYR A 128 8.196 1.021 5.742 1.00 10.00 O ATOM 1973 CB TYR A 128 6.537 2.617 7.954 1.00 6.91 C ATOM 1974 CG TYR A 128 6.014 2.963 9.327 1.00 6.87 C ATOM 1975 CD1 TYR A 128 6.882 3.205 10.385 1.00 5.91 C ATOM 1976 CD2 TYR A 128 4.651 3.058 9.562 1.00 6.96 C ATOM 1977 CE1 TYR A 128 6.401 3.532 11.642 1.00 5.57 C ATOM 1978 CE2 TYR A 128 4.158 3.387 10.811 1.00 5.86 C ATOM 1979 CZ TYR A 128 5.037 3.622 11.847 1.00 6.53 C ATOM 1980 OH TYR A 128 4.541 3.943 13.091 1.00 8.79 O ATOM 1981 HA TYR A 128 6.223 0.498 8.239 1.00 0.00 H ATOM 1982 HB3 TYR A 128 5.750 2.817 7.227 1.00 0.00 H ATOM 1983 HB2 TYR A 128 7.395 3.255 7.743 1.00 0.00 H ATOM 1984 HD2 TYR A 128 3.954 2.869 8.745 1.00 0.00 H ATOM 1985 HE2 TYR A 128 3.083 3.460 10.975 1.00 0.00 H ATOM 1986 HE1 TYR A 128 7.093 3.717 12.464 1.00 0.00 H ATOM 1987 HD1 TYR A 128 7.958 3.136 10.223 1.00 0.00 H ATOM 1988 HH TYR A 128 5.293 4.080 13.720 1.00 0.00 H ATOM 1989 H TYR A 128 9.066 1.483 8.249 1.00 0.00 H ATOM 1990 N GLU A 129 6.034 0.409 5.703 1.00 10.94 N ATOM 1991 CA GLU A 129 5.988 0.241 4.255 1.00 11.86 C ATOM 1992 C GLU A 129 4.742 0.908 3.693 1.00 11.19 C ATOM 1993 O GLU A 129 3.815 1.227 4.435 1.00 10.53 O ATOM 1994 CB GLU A 129 5.978 -1.242 3.894 1.00 12.76 C ATOM 1995 CG GLU A 129 7.243 -1.973 4.287 1.00 18.51 C ATOM 1996 CD GLU A 129 7.172 -3.450 3.963 1.00 20.88 C ATOM 1997 OE1 GLU A 129 6.068 -3.923 3.615 1.00 21.55 O ATOM 1998 OE2 GLU A 129 8.215 -4.132 4.054 1.00 20.25 O ATOM 1999 HA GLU A 129 6.874 0.707 3.824 1.00 0.00 H ATOM 2000 HB2 GLU A 129 5.136 -1.714 4.401 1.00 0.00 H ATOM 2001 HB3 GLU A 129 5.849 -1.333 2.816 1.00 0.00 H ATOM 2002 HG2 GLU A 129 8.084 -1.535 3.749 1.00 0.00 H ATOM 2003 HG3 GLU A 129 7.398 -1.855 5.359 1.00 0.00 H ATOM 2004 H GLU A 129 5.192 0.176 6.267 1.00 0.00 H ATOM 2005 N ARG A 130 4.722 1.113 2.380 1.00 11.47 N ATOM 2006 CA ARG A 130 3.591 1.766 1.741 1.00 11.59 C ATOM 2007 C ARG A 130 2.342 0.899 1.864 1.00 12.64 C ATOM 2008 O ARG A 130 2.386 -0.313 1.640 1.00 10.34 O ATOM 2009 CB ARG A 130 3.894 2.044 0.263 1.00 12.92 C ATOM 2010 CG ARG A 130 4.967 3.106 0.027 1.00 12.30 C ATOM 2011 CD ARG A 130 4.767 3.789 -1.319 1.00 14.41 C ATOM 2012 NE ARG A 130 5.861 4.690 -1.674 1.00 13.74 N ATOM 2013 CZ ARG A 130 5.946 5.957 -1.281 1.00 14.41 C ATOM 2014 NH1 ARG A 130 4.999 6.482 -0.516 1.00 13.86 N ATOM 2015 NH2 ARG A 130 6.982 6.701 -1.648 1.00 14.44 N ATOM 2016 HA ARG A 130 3.413 2.716 2.245 1.00 0.00 H ATOM 2017 HB2 ARG A 130 4.227 1.114 -0.198 1.00 0.00 H ATOM 2018 HB3 ARG A 130 2.974 2.376 -0.217 1.00 0.00 H ATOM 2019 HG2 ARG A 130 4.911 3.853 0.819 1.00 0.00 H ATOM 2020 HG3 ARG A 130 5.949 2.632 0.045 1.00 0.00 H ATOM 2021 HD2 ARG A 130 3.842 4.364 -1.282 1.00 0.00 H ATOM 2022 HD3 ARG A 130 4.686 3.022 -2.089 1.00 0.00 H ATOM 2023 HE ARG A 130 6.624 4.315 -2.274 1.00 0.00 H ATOM 2024 HH12 ARG A 130 5.068 7.474 -0.210 1.00 0.00 H ATOM 2025 HH11 ARG A 130 4.187 5.902 -0.222 1.00 0.00 H ATOM 2026 HH22 ARG A 130 7.046 7.692 -1.339 1.00 0.00 H ATOM 2027 HH21 ARG A 130 7.730 6.293 -2.245 1.00 0.00 H ATOM 2028 H ARG A 130 5.528 0.802 1.801 1.00 0.00 H ATOM 2029 N ALA A 131 1.231 1.525 2.232 1.00 13.89 N ATOM 2030 CA ALA A 131 -0.027 0.811 2.375 1.00 16.70 C ATOM 2031 C ALA A 131 -0.532 0.387 1.005 1.00 17.41 C ATOM 2032 O ALA A 131 0.077 0.812 -0.001 1.00 18.13 O ATOM 2033 CB ALA A 131 -1.057 1.696 3.057 1.00 14.91 C ATOM 2034 HA ALA A 131 0.134 -0.075 2.989 1.00 0.00 H ATOM 2035 OXT ALA A 131 -1.529 -0.365 0.960 1.00 20.68 O ATOM 2036 HB1 ALA A 131 -0.693 1.981 4.044 1.00 0.00 H ATOM 2037 HB2 ALA A 131 -1.220 2.591 2.456 1.00 0.00 H ATOM 2038 HB3 ALA A 131 -1.994 1.149 3.158 1.00 0.00 H ATOM 2039 H ALA A 131 1.261 2.547 2.422 1.00 0.00 H TER 2040 ALA A 131 HETATM 2041 O HOH 1 4.799 23.990 13.438 1.00 7.63 O HETATM 2042 O HOH 2 5.136 -2.254 19.155 1.00 14.46 O HETATM 2043 O HOH 3 2.845 0.057 18.366 1.00 13.34 O HETATM 2044 O HOH 4 1.317 20.213 5.267 1.00 7.52 O HETATM 2045 O HOH 5 -3.864 -1.217 21.971 1.00 12.01 O HETATM 2046 O HOH 6 13.995 26.575 15.501 1.00 11.53 O HETATM 2047 O HOH 7 1.961 15.977 -0.151 1.00 9.43 O HETATM 2048 O HOH 8 -0.665 0.313 10.038 1.00 28.98 O HETATM 2049 O HOH 9 16.195 18.847 14.203 1.00 19.18 O HETATM 2050 O HOH 10 10.015 22.903 5.571 1.00 7.13 O HETATM 2051 O HOH 11 17.629 -2.076 19.941 1.00 32.23 O HETATM 2052 O HOH 12 7.457 24.554 12.676 1.00 9.12 O HETATM 2053 O HOH 13 18.207 0.714 -2.312 1.00 17.77 O HETATM 2054 O HOH 14 6.789 9.532 -1.912 1.00 14.83 O HETATM 2055 O HOH 15 0.461 -2.716 9.811 1.00 21.45 O HETATM 2056 O HOH 16 7.289 -6.957 14.807 1.00 20.26 O HETATM 2057 O HOH 17 14.597 10.649 0.718 1.00 27.95 O HETATM 2058 O HOH 18 4.803 -1.998 25.073 1.00 16.30 O HETATM 2059 O HOH 19 0.039 11.926 1.784 1.00 17.32 O HETATM 2060 O HOH 20 6.398 -7.597 12.370 1.00 25.53 O HETATM 2061 O HOH 21 14.018 21.134 28.377 1.00 21.97 O HETATM 2062 O HOH 22 -7.614 10.150 19.492 1.00 19.34 O HETATM 2063 O HOH 23 8.196 17.351 -0.916 1.00 33.18 O HETATM 2064 O HOH 24 15.845 19.452 27.320 1.00 14.67 O HETATM 2065 O HOH 25 11.637 -5.978 20.796 1.00 17.11 O HETATM 2066 O HOH 26 9.825 3.065 -7.476 1.00 17.45 O HETATM 2067 O HOH 27 21.312 1.418 21.484 1.00 40.12 O HETATM 2068 O HOH 28 -0.524 14.141 6.272 1.00 8.30 O HETATM 2069 O HOH 29 15.834 8.992 3.438 1.00 17.00 O HETATM 2070 O HOH 30 11.615 -3.244 24.284 1.00 37.75 O HETATM 2071 O HOH 31 4.310 27.163 2.972 1.00 13.50 O HETATM 2072 O HOH 32 7.743 1.320 -2.072 1.00 31.75 O HETATM 2073 O HOH 33 -0.061 4.784 31.912 1.00 14.80 O HETATM 2074 O HOH 34 7.022 27.205 12.063 1.00 19.06 O HETATM 2075 O HOH 35 6.461 27.321 15.167 1.00 25.17 O HETATM 2076 O HOH 36 2.159 5.645 -0.105 1.00 12.19 O HETATM 2077 O HOH 37 13.156 21.773 19.727 1.00 19.90 O HETATM 2078 O HOH 38 16.660 21.241 7.539 1.00 11.13 O HETATM 2079 O HOH 39 0.015 2.651 34.048 1.00 16.18 O HETATM 2080 O HOH 40 8.908 11.722 30.676 1.00 19.86 O HETATM 2081 O HOH 41 16.812 -1.016 17.268 1.00 20.42 O HETATM 2082 O HOH 42 8.483 -7.080 18.356 1.00 29.22 O HETATM 2083 O HOH 43 10.800 21.990 12.826 1.00 5.58 O HETATM 2084 O HOH 44 -2.730 20.349 1.928 1.00 17.00 O HETATM 2085 O HOH 45 11.704 -3.110 13.389 1.00 7.97 O HETATM 2086 O HOH 46 17.606 12.773 27.952 1.00 21.15 O HETATM 2087 O HOH 47 5.027 -4.030 14.515 1.00 30.11 O HETATM 2088 O HOH 48 14.239 -3.540 12.893 1.00 29.22 O HETATM 2089 O HOH 49 -0.997 18.383 0.868 1.00 15.31 O HETATM 2090 O HOH 50 -9.978 11.939 17.138 1.00 26.62 O HETATM 2091 O HOH 51 5.082 9.963 29.076 1.00 20.09 O HETATM 2092 O HOH 52 3.579 11.965 30.253 1.00 37.87 O HETATM 2093 O HOH 53 -0.466 18.683 3.911 1.00 12.07 O HETATM 2094 O HOH 54 12.477 12.347 12.214 1.00 5.82 O HETATM 2095 O HOH 55 9.850 14.308 32.863 1.00 35.11 O HETATM 2096 O HOH 56 11.706 16.243 -2.429 1.00 29.35 O HETATM 2097 O HOH 57 12.315 -2.917 0.725 1.00 25.87 O HETATM 2098 O HOH 58 5.385 28.830 4.798 1.00 24.38 O HETATM 2099 O HOH 59 12.324 -2.986 32.759 1.00 45.12 O HETATM 2100 O HOH 60 10.898 -3.691 28.435 1.00 33.12 O HETATM 2101 O HOH 61 19.010 16.829 2.653 1.00 27.49 O HETATM 2102 O HOH 62 15.601 -3.890 15.271 1.00 30.42 O HETATM 2103 O HOH 63 11.979 -9.461 17.374 1.00 27.67 O HETATM 2104 O HOH 64 16.017 20.996 19.966 1.00 24.72 O HETATM 2105 O HOH 65 6.376 19.300 -2.785 1.00 42.70 O HETATM 2106 O HOH 66 -3.917 -1.645 19.224 1.00 17.21 O HETATM 2107 O HOH 67 20.084 17.898 11.228 1.00 39.78 O HETATM 2108 O HOH 68 7.625 30.637 9.593 1.00 27.92 O HETATM 2109 O HOH 69 2.760 22.207 -2.322 1.00 25.46 O HETATM 2110 O HOH 70 5.156 16.672 29.728 1.00 27.25 O HETATM 2111 O HOH 71 4.961 -3.828 22.927 1.00 20.64 O HETATM 2112 O HOH 72 11.954 21.996 26.577 1.00 24.95 O HETATM 2113 O HOH 73 6.402 21.740 -1.293 1.00 36.71 O HETATM 2114 O HOH 74 19.397 -2.644 -1.144 1.00 28.74 O HETATM 2115 O HOH 75 15.346 -6.192 19.338 1.00 20.54 O HETATM 2116 O HOH 76 18.224 13.592 21.999 1.00 12.27 O HETATM 2117 O HOH 77 18.800 11.083 22.501 1.00 31.04 O HETATM 2118 O HOH 78 -0.248 8.942 28.612 1.00 36.49 O HETATM 2119 O HOH 79 18.026 19.763 26.095 1.00 43.60 O HETATM 2120 O HOH 80 5.392 21.850 24.288 1.00 25.54 O HETATM 2121 O HOH 81 -4.871 11.640 12.911 1.00 21.88 O HETATM 2122 O HOH 82 3.658 -3.555 16.942 1.00 17.60 O HETATM 2123 O HOH 83 4.074 -4.634 25.943 1.00 34.41 O HETATM 2124 O HOH 84 16.587 15.148 0.929 1.00 35.32 O HETATM 2125 O HOH 85 8.356 21.290 27.015 1.00 32.29 O HETATM 2126 O HOH 86 2.355 -5.805 22.081 1.00 30.65 O HETATM 2127 O HOH 87 16.296 5.958 10.576 1.00 16.61 O HETATM 2128 O HOH 88 -8.306 6.084 14.321 1.00 26.81 O HETATM 2129 O HOH 89 8.551 -7.487 8.206 1.00 43.56 O HETATM 2130 O HOH 90 11.611 24.876 4.740 1.00 35.14 O HETATM 2131 O HOH 91 13.228 12.742 0.241 1.00 39.75 O HETATM 2132 O HOH 92 3.197 3.162 35.126 1.00 19.53 O HETATM 2133 O HOH 93 -8.767 5.945 17.929 1.00 44.82 O HETATM 2134 O HOH 94 -1.606 19.988 11.451 1.00 26.77 O HETATM 2135 O HOH 95 2.824 -5.952 19.301 1.00 29.12 O HETATM 2136 O HOH 96 22.326 5.709 21.234 1.00 49.22 O HETATM 2137 O HOH 97 23.709 6.569 27.731 1.00 40.10 O HETATM 2138 O HOH 98 11.580 7.085 -3.616 1.00 48.76 O HETATM 2139 O HOH 99 0.746 3.569 -1.080 1.00 29.26 O HETATM 2140 O HOH 100 -10.058 7.348 12.631 1.00 34.54 O HETATM 2141 O HOH 101 21.471 4.587 17.746 1.00 24.90 O HETATM 2142 O HOH 102 17.898 8.707 16.275 1.00 16.61 O HETATM 2143 O HOH 103 10.451 -5.202 8.800 1.00 23.40 O HETATM 2144 O HOH 104 3.335 19.016 -3.255 1.00 49.18 O HETATM 2145 O HOH 105 10.107 -7.296 15.100 1.00 33.91 O HETATM 2146 O HOH 106 2.502 25.051 30.621 1.00 37.43 O HETATM 2147 O HOH 107 19.945 14.952 18.340 1.00 33.81 O HETATM 2148 O HOH 108 19.504 17.453 27.533 1.00 43.69 O HETATM 2149 O HOH 109 -3.151 14.867 6.569 1.00 37.66 O HETATM 2150 O HOH 110 -3.238 4.672 28.019 1.00 39.88 O HETATM 2151 O HOH 111 6.792 0.167 0.501 1.00 19.58 O HETATM 2152 O HOH 112 9.269 10.296 21.267 1.00 8.95 O HETATM 2153 O HOH 113 6.740 11.517 20.560 1.00 10.46 O HETATM 2154 O HOH 114 3.665 13.423 17.877 1.00 15.29 O HETATM 2155 O HOH 115 0.797 0.953 -2.476 1.00 41.06 O HETATM 2156 O HOH 116 1.656 15.229 18.355 1.00 22.12 O HETATM 2157 O HOH 117 7.233 8.254 13.021 1.00 13.19 O HETATM 2158 O HOH 118 0.983 18.220 18.859 1.00 26.05 O HETATM 2159 O HOH 119 6.641 23.245 26.555 1.00 43.59 O HETATM 2160 O HOH 120 21.116 12.741 11.074 1.00 32.30 O HETATM 2161 O HOH 121 -2.058 19.565 6.848 1.00 36.91 O HETATM 2162 O HOH 122 2.111 7.706 30.500 1.00 42.33 O HETATM 2163 O HOH 123 14.401 1.108 28.860 1.00 23.58 O HETATM 2164 O HOH 124 20.201 9.319 17.452 1.00 33.22 O HETATM 2165 O HOH 125 14.830 10.106 31.341 1.00 34.92 O HETATM 2166 O HOH 126 -11.096 8.059 14.928 1.00 23.01 O HETATM 2167 O HOH 127 9.721 21.009 29.568 1.00 29.28 O HETATM 2168 O HOH 128 21.725 18.084 4.546 1.00 35.05 O HETATM 2169 O HOH 129 -4.446 1.860 11.724 1.00 27.48 O HETATM 2170 O HOH 130 18.688 10.942 25.237 1.00 32.24 O HETATM 2171 O HOH 131 5.212 28.170 0.359 1.00 31.75 O HETATM 2172 O HOH 132 0.498 19.279 -1.251 1.00 28.65 O HETATM 2173 O HOH 133 4.057 11.325 19.586 1.00 9.55 O HETATM 2174 O HOH 134 -1.376 6.819 16.129 1.00 19.74 O HETATM 2175 O HOH 135 6.510 -2.697 -3.734 1.00 36.05 O HETATM 2176 O HOH 136 10.229 0.174 33.805 1.00 30.94 O HETATM 2177 O HOH 137 16.585 25.429 13.770 1.00 28.00 O HETATM 2178 O HOH 138 9.278 -4.183 -2.164 1.00 29.86 O HETATM 2179 O HOH 139 13.398 23.526 25.102 1.00 28.61 O HETATM 2180 O HOH 140 17.075 21.118 4.649 1.00 27.89 O HETATM 2181 O HOH 141 -1.476 18.748 16.044 1.00 41.04 O HETATM 2182 O HOH 142 -2.839 15.436 3.707 1.00 23.50 O HETATM 2183 O HOH 143 13.139 -4.949 28.385 1.00 26.30 O HETATM 2184 O HOH 144 19.449 20.177 4.408 1.00 37.42 O HETATM 2185 O HOH 145 21.418 8.189 23.484 1.00 25.12 O HETATM 2186 O HOH 146 6.441 -5.952 29.281 1.00 34.56 O HETATM 2187 O HOH 147 9.418 17.900 -6.145 1.00 33.03 O HETATM 2188 O HOH 148 7.835 -6.942 2.694 1.00 30.75 O HETATM 2189 O HOH 149 -3.440 2.868 6.943 1.00 28.88 O HETATM 2190 O HOH 150 13.099 -5.564 23.748 1.00 46.44 O HETATM 2191 O HOH 151 2.147 -4.229 24.185 1.00 25.09 O HETATM 2192 O HOH 152 15.294 22.336 2.883 1.00 27.97 O HETATM 2193 C1 T A 4 2.360 10.621 15.513 1.00 -0.02 C HETATM 2194 C T A 4 2.456 11.710 14.608 1.00 -0.07 C HETATM 2195 C8 T A 4 3.731 12.249 14.272 1.00 -0.07 C HETATM 2196 C7 T A 4 4.916 11.707 14.838 1.00 -0.06 C HETATM 2197 C6 T A 4 4.840 10.612 15.753 1.00 0.02 C HETATM 2198 C2 T A 4 6.097 10.074 16.386 1.00 -0.03 C HETATM 2199 C3 T A 4 6.437 8.690 16.258 1.00 -0.03 C HETATM 2200 C11 T A 4 7.593 8.156 16.927 1.00 0.09 C HETATM 2201 C12 T A 4 8.408 9.019 17.719 1.00 -0.03 C HETATM 2202 C13 T A 4 8.078 10.400 17.842 1.00 -0.07 C HETATM 2203 C14 T A 4 6.926 10.928 17.178 1.00 -0.07 C HETATM 2204 H9 T A 4 6.681 11.979 17.276 1.00 0.05 H HETATM 2205 H8 T A 4 8.702 11.053 18.441 1.00 0.06 H HETATM 2206 H7 T A 4 9.280 8.623 18.228 1.00 0.05 H HETATM 2207 O2 T A 4 7.938 6.818 16.802 1.00 -0.30 O HETATM 2208 C9 T A 4 6.920 5.787 16.835 1.00 0.12 C HETATM 2209 C10 T A 4 6.720 5.207 15.438 1.00 0.07 C HETATM 2210 O T A 4 7.275 5.719 14.468 1.00 -0.57 O HETATM 2211 O1 T A 4 5.936 4.163 15.263 1.00 -0.57 O HETATM 2212 H5 T A 4 7.235 4.986 17.520 1.00 0.08 H HETATM 2213 H6 T A 4 5.973 6.221 17.188 1.00 0.08 H HETATM 2214 H2 T A 4 5.818 8.038 15.652 1.00 0.05 H HETATM 2215 C5 T A 4 3.545 10.061 16.090 1.00 0.12 C HETATM 2216 N T A 4 3.458 8.958 16.999 1.00 -0.15 N HETATM 2217 C20 T A 4 2.893 7.704 16.807 1.00 0.10 C HETATM 2218 C19 T A 4 3.049 6.975 17.958 1.00 0.01 C HETATM 2219 C16 T A 4 2.528 5.581 18.221 1.00 -0.04 C HETATM 2220 C30 T A 4 1.127 5.290 18.064 1.00 -0.07 C HETATM 2221 C29 T A 4 0.632 3.990 18.335 1.00 -0.07 C HETATM 2222 C28 T A 4 1.521 2.969 18.768 1.00 -0.07 C HETATM 2223 C22 T A 4 2.907 3.244 18.929 1.00 -0.07 C HETATM 2224 C17 T A 4 3.413 4.543 18.655 1.00 -0.07 C HETATM 2225 H20 T A 4 4.471 4.748 18.775 1.00 0.06 H HETATM 2226 H15 T A 4 3.579 2.461 19.262 1.00 0.06 H HETATM 2227 H24 T A 4 1.141 1.976 18.977 1.00 0.06 H HETATM 2228 H25 T A 4 -0.423 3.775 18.212 1.00 0.06 H HETATM 2229 H17 T A 4 0.448 6.069 17.737 1.00 0.06 H HETATM 2230 C18 T A 4 3.794 7.862 18.922 1.00 0.04 C HETATM 2231 C27 T A 4 4.341 7.555 20.276 1.00 -0.01 C HETATM 2232 C4 T A 4 5.686 7.941 20.570 1.00 -0.05 C HETATM 2233 C26 T A 4 6.238 7.695 21.861 1.00 -0.06 C HETATM 2234 C25 T A 4 5.447 7.062 22.858 1.00 -0.06 C HETATM 2235 C24 T A 4 4.106 6.674 22.575 1.00 -0.06 C HETATM 2236 C23 T A 4 3.550 6.918 21.288 1.00 -0.05 C HETATM 2237 H21 T A 4 2.529 6.622 21.073 1.00 0.06 H HETATM 2238 H16 T A 4 3.509 6.192 23.341 1.00 0.06 H HETATM 2239 H22 T A 4 5.867 6.873 23.840 1.00 0.06 H HETATM 2240 H23 T A 4 7.258 7.990 22.082 1.00 0.06 H HETATM 2241 H19 T A 4 6.288 8.423 19.808 1.00 0.06 H HETATM 2242 N1 T A 4 3.996 9.000 18.323 1.00 -0.20 N HETATM 2243 C21 T A 4 2.277 7.178 15.502 1.00 0.01 C HETATM 2244 C15 T A 4 3.359 6.949 14.440 1.00 -0.05 C HETATM 2245 H10 T A 4 2.893 6.573 13.517 1.00 0.03 H HETATM 2246 H11 T A 4 4.086 6.211 14.810 1.00 0.03 H HETATM 2247 H12 T A 4 3.874 7.898 14.231 1.00 0.03 H HETATM 2248 H13 T A 4 1.763 6.226 15.704 1.00 0.05 H HETATM 2249 H14 T A 4 1.551 7.913 15.124 1.00 0.05 H HETATM 2250 H3 T A 4 5.881 12.125 14.575 1.00 0.06 H HETATM 2251 H4 T A 4 3.798 13.080 13.579 1.00 0.06 H HETATM 2252 H18 T A 4 1.558 12.132 14.172 1.00 0.06 H HETATM 2253 H1 T A 4 1.389 10.213 15.768 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 2193 2194 2215 2253 CONECT 2194 2193 2195 2252 CONECT 2195 2194 2196 2251 CONECT 2196 2195 2197 2250 CONECT 2197 2196 2198 2215 CONECT 2198 2197 2199 2203 CONECT 2199 2198 2200 2214 CONECT 2200 2199 2201 2207 CONECT 2201 2200 2202 2206 CONECT 2202 2201 2203 2205 CONECT 2203 2198 2202 2204 CONECT 2204 2203 CONECT 2205 2202 CONECT 2206 2201 CONECT 2207 2200 2208 CONECT 2208 2207 2209 2212 2213 CONECT 2209 2208 2210 2211 CONECT 2210 2209 CONECT 2211 2209 CONECT 2212 2208 CONECT 2213 2208 CONECT 2214 2199 CONECT 2215 2193 2197 2216 CONECT 2216 2215 2217 2242 CONECT 2217 2216 2218 2243 CONECT 2218 2217 2219 2230 CONECT 2219 2218 2220 2224 CONECT 2220 2219 2221 2229 CONECT 2221 2220 2222 2228 CONECT 2222 2221 2223 2227 CONECT 2223 2222 2224 2226 CONECT 2224 2219 2223 2225 CONECT 2225 2224 CONECT 2226 2223 CONECT 2227 2222 CONECT 2228 2221 CONECT 2229 2220 CONECT 2230 2218 2231 2242 CONECT 2231 2230 2232 2236 CONECT 2232 2231 2233 2241 CONECT 2233 2232 2234 2240 CONECT 2234 2233 2235 2239 CONECT 2235 2234 2236 2238 CONECT 2236 2231 2235 2237 CONECT 2237 2236 CONECT 2238 2235 CONECT 2239 2234 CONECT 2240 2233 CONECT 2241 2232 CONECT 2242 2216 2230 CONECT 2243 2217 2244 2248 2249 CONECT 2244 2243 2245 2246 2247 CONECT 2245 2244 CONECT 2246 2244 CONECT 2247 2244 CONECT 2248 2243 CONECT 2249 2243 CONECT 2250 2196 CONECT 2251 2195 CONECT 2252 2194 CONECT 2253 2193 MASTER 0 0 0 0 0 0 0 0 2252 1 65 11 END
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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
2nnq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fatty acid-binding protein,adipocyte
Ligand Name
T4B
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=2nM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
Bioorg. Med. Chem. Lett. 2007, 17, 3511-3515.
Ligand Properties
Formula
C
3
1
H
2
6
N
2
O
3
Molecular Weight
474.550
Exact Mass
474.194
No. of atoms
62
No. of bonds
66
Polar Surface Area
64.35
LOGP Value
8.09 (
Computed with XLOGP3
)
6.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
Canonical SMILES
CCc1c(c2ccccc2)c(nn1c1ccccc1c1cccc(c1)OCC(=O)O)c1ccccc1
InChI String
InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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