Browse entries in the PDBbind-CN Database
HEADER 2MLM_COMPLEX COMPND 2MLM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 148 MET GLN ALA LYS PRO GLN ILE PRO LYS ASP LYS SER LYS SEQRES 2 A 148 VAL ALA GLY TYR ILE GLU ILE PRO ASP ALA ASP ILE LYS SEQRES 3 A 148 GLU PRO VAL TYR PRO GLY PRO ALA THR PRO GLU GLN LEU SEQRES 4 A 148 ASN ARG GLY VAL SER PHE ALA GLU GLU ASN GLU SER LEU SEQRES 5 A 148 ASP ASP GLN ASN ILE SER ILE ALA GLY HIS THR PHE ILE SEQRES 6 A 148 ASP ARG PRO ASN TYR GLN PHE THR ASN LEU LYS ALA ALA SEQRES 7 A 148 LYS LYS GLY SER MET VAL TYR PHE LYS VAL GLY ASN GLU SEQRES 8 A 148 THR ARG LYS TYR LYS MET THR SER ILE ARG ASP VAL LYS SEQRES 9 A 148 PRO THR ASP VAL GLU VAL LEU ASP GLU GLN LYS GLY LYS SEQRES 10 A 148 ASP LYS GLN LEU THR LEU ILE THR CYS ASP ASP TYR ASN SEQRES 11 A 148 GLU LYS THR GLY VAL TRP GLU LYS ARG LYS ILE PHE VAL SEQRES 12 A 148 ALA THR GLU VAL LYS HET UNN A 149 48 ATOM 1 N MET A 1 0.126 -7.163 -2.506 1.00 0.00 N ATOM 2 CA MET A 1 1.414 -7.236 -1.784 1.00 0.00 C ATOM 3 C MET A 1 2.165 -5.922 -1.922 1.00 0.00 C ATOM 4 O MET A 1 1.713 -5.010 -2.614 1.00 0.00 O ATOM 5 CB MET A 1 2.280 -8.385 -2.312 1.00 0.00 C ATOM 6 CG MET A 1 2.669 -8.243 -3.776 1.00 0.00 C ATOM 7 SD MET A 1 3.887 -9.469 -4.296 1.00 0.00 S ATOM 8 CE MET A 1 3.053 -10.997 -3.874 1.00 0.00 C ATOM 9 HN3 MET A 1 0.305 -6.975 -3.513 1.00 0.00 H ATOM 10 HN2 MET A 1 -0.451 -6.396 -2.106 1.00 0.00 H ATOM 11 HN1 MET A 1 -0.379 -8.067 -2.405 1.00 0.00 H ATOM 12 N GLN A 2 3.306 -5.828 -1.258 1.00 0.00 N ATOM 13 CA GLN A 2 4.149 -4.646 -1.356 1.00 0.00 C ATOM 14 C GLN A 2 5.540 -5.024 -1.834 1.00 0.00 C ATOM 15 O GLN A 2 5.753 -6.130 -2.328 1.00 0.00 O ATOM 16 CB GLN A 2 4.257 -3.903 -0.022 1.00 0.00 C ATOM 17 CG GLN A 2 3.025 -3.080 0.340 1.00 0.00 C ATOM 18 CD GLN A 2 1.813 -3.922 0.700 1.00 0.00 C ATOM 19 OE1 GLN A 2 0.680 -3.548 0.410 1.00 0.00 O ATOM 20 NE2 GLN A 2 2.037 -5.040 1.376 1.00 0.00 N ATOM 21 HE22 GLN A 2 3.011 -5.324 1.603 1.00 0.00 H ATOM 22 HE21 GLN A 2 1.238 -5.633 1.679 1.00 0.00 H ATOM 23 H GLN A 2 3.607 -6.618 -0.652 1.00 0.00 H ATOM 24 N ALA A 3 6.479 -4.104 -1.665 1.00 0.00 N ATOM 25 CA ALA A 3 7.827 -4.270 -2.177 1.00 0.00 C ATOM 26 C ALA A 3 8.770 -3.289 -1.498 1.00 0.00 C ATOM 27 O ALA A 3 8.348 -2.513 -0.636 1.00 0.00 O ATOM 28 CB ALA A 3 7.820 -4.046 -3.676 1.00 0.00 C ATOM 29 H ALA A 3 6.242 -3.233 -1.148 1.00 0.00 H ATOM 30 N LYS A 4 10.036 -3.327 -1.884 1.00 0.00 N ATOM 31 CA LYS A 4 11.020 -2.383 -1.370 1.00 0.00 C ATOM 32 C LYS A 4 10.749 -0.988 -1.921 1.00 0.00 C ATOM 33 O LYS A 4 10.757 -0.778 -3.136 1.00 0.00 O ATOM 34 CB LYS A 4 12.437 -2.817 -1.747 1.00 0.00 C ATOM 35 CG LYS A 4 12.863 -4.141 -1.133 1.00 0.00 C ATOM 36 CD LYS A 4 14.286 -4.500 -1.531 1.00 0.00 C ATOM 37 CE LYS A 4 15.293 -3.489 -0.998 1.00 0.00 C ATOM 38 NZ LYS A 4 16.648 -3.704 -1.572 1.00 0.00 N ATOM 39 HZ1 LYS A 4 16.980 -4.658 -1.325 1.00 0.00 H ATOM 40 HZ2 LYS A 4 16.604 -3.608 -2.607 1.00 0.00 H ATOM 41 HZ3 LYS A 4 17.304 -2.996 -1.184 1.00 0.00 H ATOM 42 H LYS A 4 10.335 -4.048 -2.571 1.00 0.00 H ATOM 43 N PRO A 5 10.500 -0.020 -1.034 1.00 0.00 N ATOM 44 CA PRO A 5 10.191 1.351 -1.431 1.00 0.00 C ATOM 45 C PRO A 5 11.427 2.121 -1.887 1.00 0.00 C ATOM 46 O PRO A 5 12.560 1.732 -1.604 1.00 0.00 O ATOM 47 CB PRO A 5 9.615 1.963 -0.154 1.00 0.00 C ATOM 48 CG PRO A 5 10.266 1.207 0.952 1.00 0.00 C ATOM 49 CD PRO A 5 10.498 -0.186 0.432 1.00 0.00 C ATOM 50 N GLN A 6 11.196 3.206 -2.606 1.00 0.00 N ATOM 51 CA GLN A 6 12.270 4.079 -3.044 1.00 0.00 C ATOM 52 C GLN A 6 12.106 5.429 -2.350 1.00 0.00 C ATOM 53 O GLN A 6 11.109 5.649 -1.663 1.00 0.00 O ATOM 54 CB GLN A 6 12.224 4.241 -4.568 1.00 0.00 C ATOM 55 CG GLN A 6 13.569 4.565 -5.211 1.00 0.00 C ATOM 56 CD GLN A 6 14.575 3.438 -5.070 1.00 0.00 C ATOM 57 OE1 GLN A 6 14.627 2.531 -5.900 1.00 0.00 O ATOM 58 NE2 GLN A 6 15.398 3.494 -4.037 1.00 0.00 N ATOM 59 HE22 GLN A 6 15.325 4.276 -3.355 1.00 0.00 H ATOM 60 HE21 GLN A 6 16.119 2.756 -3.906 1.00 0.00 H ATOM 61 H GLN A 6 10.217 3.441 -2.865 1.00 0.00 H ATOM 62 N ILE A 7 13.067 6.322 -2.517 1.00 0.00 N ATOM 63 CA ILE A 7 13.002 7.630 -1.876 1.00 0.00 C ATOM 64 C ILE A 7 12.687 8.727 -2.893 1.00 0.00 C ATOM 65 O ILE A 7 13.559 9.152 -3.652 1.00 0.00 O ATOM 66 CB ILE A 7 14.320 7.952 -1.137 1.00 0.00 C ATOM 67 CG1 ILE A 7 14.573 6.914 -0.039 1.00 0.00 C ATOM 68 CG2 ILE A 7 14.286 9.356 -0.552 1.00 0.00 C ATOM 69 CD1 ILE A 7 15.867 7.124 0.721 1.00 0.00 C ATOM 70 H ILE A 7 13.884 6.087 -3.116 1.00 0.00 H ATOM 71 N PRO A 8 11.422 9.173 -2.941 1.00 0.00 N ATOM 72 CA PRO A 8 10.998 10.255 -3.821 1.00 0.00 C ATOM 73 C PRO A 8 11.178 11.630 -3.177 1.00 0.00 C ATOM 74 O PRO A 8 11.605 11.741 -2.028 1.00 0.00 O ATOM 75 CB PRO A 8 9.518 9.949 -4.026 1.00 0.00 C ATOM 76 CG PRO A 8 9.081 9.329 -2.740 1.00 0.00 C ATOM 77 CD PRO A 8 10.292 8.642 -2.153 1.00 0.00 C ATOM 78 N LYS A 9 10.848 12.673 -3.920 1.00 0.00 N ATOM 79 CA LYS A 9 10.945 14.026 -3.425 1.00 0.00 C ATOM 80 C LYS A 9 9.671 14.423 -2.684 1.00 0.00 C ATOM 81 O LYS A 9 9.712 15.220 -1.738 1.00 0.00 O ATOM 82 CB LYS A 9 11.211 14.966 -4.595 1.00 0.00 C ATOM 83 CG LYS A 9 10.963 16.421 -4.281 1.00 0.00 C ATOM 84 CD LYS A 9 11.270 17.303 -5.476 1.00 0.00 C ATOM 85 CE LYS A 9 10.866 18.744 -5.229 1.00 0.00 C ATOM 86 NZ LYS A 9 11.161 19.602 -6.405 1.00 0.00 N ATOM 87 HZ1 LYS A 9 12.181 19.575 -6.605 1.00 0.00 H ATOM 88 HZ2 LYS A 9 10.636 19.249 -7.230 1.00 0.00 H ATOM 89 HZ3 LYS A 9 10.872 20.580 -6.200 1.00 0.00 H ATOM 90 H LYS A 9 10.508 12.514 -4.890 1.00 0.00 H ATOM 91 N ASP A 10 8.550 13.852 -3.115 1.00 0.00 N ATOM 92 CA ASP A 10 7.248 14.136 -2.517 1.00 0.00 C ATOM 93 C ASP A 10 7.225 13.756 -1.039 1.00 0.00 C ATOM 94 O ASP A 10 7.600 12.647 -0.663 1.00 0.00 O ATOM 95 CB ASP A 10 6.139 13.396 -3.271 1.00 0.00 C ATOM 96 CG ASP A 10 4.784 13.543 -2.602 1.00 0.00 C ATOM 97 OD1 ASP A 10 4.326 14.691 -2.414 1.00 0.00 O ATOM 98 OD2 ASP A 10 4.170 12.511 -2.265 1.00 0.00 O ATOM 99 H ASP A 10 8.602 13.179 -3.906 1.00 0.00 H ATOM 100 N LYS A 11 6.781 14.690 -0.210 1.00 0.00 N ATOM 101 CA LYS A 11 6.764 14.500 1.234 1.00 0.00 C ATOM 102 C LYS A 11 5.394 14.036 1.704 1.00 0.00 C ATOM 103 O LYS A 11 5.095 14.051 2.898 1.00 0.00 O ATOM 104 CB LYS A 11 7.150 15.804 1.932 1.00 0.00 C ATOM 105 CG LYS A 11 8.591 16.215 1.686 1.00 0.00 C ATOM 106 CD LYS A 11 9.565 15.292 2.402 1.00 0.00 C ATOM 107 CE LYS A 11 11.000 15.600 2.017 1.00 0.00 C ATOM 108 NZ LYS A 11 11.277 15.257 0.599 1.00 0.00 N ATOM 109 HZ1 LYS A 11 11.109 14.241 0.450 1.00 0.00 H ATOM 110 HZ2 LYS A 11 10.647 15.808 -0.019 1.00 0.00 H ATOM 111 HZ3 LYS A 11 12.268 15.482 0.376 1.00 0.00 H ATOM 112 H LYS A 11 6.433 15.588 -0.603 1.00 0.00 H ATOM 113 N SER A 12 4.563 13.627 0.760 1.00 0.00 N ATOM 114 CA SER A 12 3.241 13.128 1.080 1.00 0.00 C ATOM 115 C SER A 12 3.276 11.615 1.265 1.00 0.00 C ATOM 116 O SER A 12 2.404 11.033 1.913 1.00 0.00 O ATOM 117 CB SER A 12 2.270 13.495 -0.036 1.00 0.00 C ATOM 118 OG SER A 12 2.426 14.851 -0.422 1.00 0.00 O ATOM 119 HG SER A 12 3.350 14.997 -0.745 1.00 0.00 H ATOM 120 H SER A 12 4.865 13.664 -0.234 1.00 0.00 H ATOM 121 N LYS A 13 4.294 10.987 0.690 1.00 0.00 N ATOM 122 CA LYS A 13 4.435 9.541 0.746 1.00 0.00 C ATOM 123 C LYS A 13 5.274 9.130 1.946 1.00 0.00 C ATOM 124 O LYS A 13 5.975 9.951 2.536 1.00 0.00 O ATOM 125 CB LYS A 13 5.090 9.018 -0.534 1.00 0.00 C ATOM 126 CG LYS A 13 4.391 9.464 -1.805 1.00 0.00 C ATOM 127 CD LYS A 13 2.948 8.984 -1.863 1.00 0.00 C ATOM 128 CE LYS A 13 2.231 9.548 -3.079 1.00 0.00 C ATOM 129 NZ LYS A 13 2.080 11.028 -3.006 1.00 0.00 N ATOM 130 HZ1 LYS A 13 1.529 11.278 -2.160 1.00 0.00 H ATOM 131 HZ2 LYS A 13 3.020 11.469 -2.951 1.00 0.00 H ATOM 132 HZ3 LYS A 13 1.586 11.367 -3.856 1.00 0.00 H ATOM 133 H LYS A 13 5.011 11.545 0.185 1.00 0.00 H ATOM 134 N VAL A 14 5.192 7.858 2.302 1.00 0.00 N ATOM 135 CA VAL A 14 5.972 7.313 3.397 1.00 0.00 C ATOM 136 C VAL A 14 6.839 6.161 2.899 1.00 0.00 C ATOM 137 O VAL A 14 6.322 5.141 2.440 1.00 0.00 O ATOM 138 CB VAL A 14 5.067 6.802 4.535 1.00 0.00 C ATOM 139 CG1 VAL A 14 5.906 6.355 5.721 1.00 0.00 C ATOM 140 CG2 VAL A 14 4.063 7.867 4.959 1.00 0.00 C ATOM 141 H VAL A 14 4.548 7.229 1.780 1.00 0.00 H ATOM 142 N ALA A 15 8.151 6.337 2.975 1.00 0.00 N ATOM 143 CA ALA A 15 9.087 5.311 2.531 1.00 0.00 C ATOM 144 C ALA A 15 9.446 4.372 3.673 1.00 0.00 C ATOM 145 O ALA A 15 9.662 3.177 3.471 1.00 0.00 O ATOM 146 CB ALA A 15 10.341 5.957 1.965 1.00 0.00 C ATOM 147 H ALA A 15 8.522 7.229 3.361 1.00 0.00 H ATOM 148 N GLY A 16 9.501 4.923 4.874 1.00 0.00 N ATOM 149 CA GLY A 16 9.852 4.133 6.029 1.00 0.00 C ATOM 150 C GLY A 16 9.122 4.599 7.269 1.00 0.00 C ATOM 151 O GLY A 16 8.743 5.766 7.370 1.00 0.00 O ATOM 152 H GLY A 16 9.289 5.935 4.987 1.00 0.00 H ATOM 153 N TYR A 17 8.912 3.690 8.203 1.00 0.00 N ATOM 154 CA TYR A 17 8.246 4.011 9.449 1.00 0.00 C ATOM 155 C TYR A 17 9.232 3.878 10.594 1.00 0.00 C ATOM 156 O TYR A 17 9.846 2.824 10.767 1.00 0.00 O ATOM 157 CB TYR A 17 7.052 3.078 9.659 1.00 0.00 C ATOM 158 CG TYR A 17 5.764 3.809 9.959 1.00 0.00 C ATOM 159 CD1 TYR A 17 5.418 4.148 11.260 1.00 0.00 C ATOM 160 CD2 TYR A 17 4.894 4.163 8.937 1.00 0.00 C ATOM 161 CE1 TYR A 17 4.241 4.819 11.532 1.00 0.00 C ATOM 162 CE2 TYR A 17 3.717 4.835 9.202 1.00 0.00 C ATOM 163 CZ TYR A 17 3.394 5.158 10.502 1.00 0.00 C ATOM 164 OH TYR A 17 2.221 5.824 10.771 1.00 0.00 O ATOM 165 HH TYR A 17 2.145 5.976 11.746 1.00 0.00 H ATOM 166 H TYR A 17 9.234 2.715 8.040 1.00 0.00 H ATOM 167 N ILE A 18 9.412 4.951 11.347 1.00 0.00 N ATOM 168 CA ILE A 18 10.331 4.935 12.468 1.00 0.00 C ATOM 169 C ILE A 18 9.578 4.586 13.749 1.00 0.00 C ATOM 170 O ILE A 18 8.680 5.310 14.192 1.00 0.00 O ATOM 171 CB ILE A 18 11.098 6.277 12.616 1.00 0.00 C ATOM 172 CG1 ILE A 18 12.159 6.172 13.714 1.00 0.00 C ATOM 173 CG2 ILE A 18 10.156 7.439 12.892 1.00 0.00 C ATOM 174 CD1 ILE A 18 13.278 5.213 13.375 1.00 0.00 C ATOM 175 H ILE A 18 8.885 5.821 11.131 1.00 0.00 H ATOM 176 N GLU A 19 9.919 3.446 14.315 1.00 0.00 N ATOM 177 CA GLU A 19 9.217 2.939 15.476 1.00 0.00 C ATOM 178 C GLU A 19 10.190 2.595 16.596 1.00 0.00 C ATOM 179 O GLU A 19 11.034 1.709 16.458 1.00 0.00 O ATOM 180 CB GLU A 19 8.388 1.712 15.090 1.00 0.00 C ATOM 181 CG GLU A 19 7.414 1.978 13.952 1.00 0.00 C ATOM 182 CD GLU A 19 6.597 0.761 13.576 1.00 0.00 C ATOM 183 OE1 GLU A 19 7.132 -0.141 12.900 1.00 0.00 O ATOM 184 OE2 GLU A 19 5.411 0.701 13.955 1.00 0.00 O ATOM 185 H GLU A 19 10.710 2.898 13.919 1.00 0.00 H ATOM 186 N ILE A 20 10.075 3.314 17.698 1.00 0.00 N ATOM 187 CA ILE A 20 10.906 3.076 18.866 1.00 0.00 C ATOM 188 C ILE A 20 10.021 2.796 20.077 1.00 0.00 C ATOM 189 O ILE A 20 9.434 3.714 20.656 1.00 0.00 O ATOM 190 CB ILE A 20 11.830 4.277 19.155 1.00 0.00 C ATOM 191 CG1 ILE A 20 12.676 4.592 17.917 1.00 0.00 C ATOM 192 CG2 ILE A 20 12.723 3.987 20.353 1.00 0.00 C ATOM 193 CD1 ILE A 20 13.525 5.836 18.050 1.00 0.00 C ATOM 194 H ILE A 20 9.367 4.075 17.731 1.00 0.00 H ATOM 195 N PRO A 21 9.904 1.514 20.455 1.00 0.00 N ATOM 196 CA PRO A 21 8.988 1.062 21.513 1.00 0.00 C ATOM 197 C PRO A 21 9.254 1.711 22.868 1.00 0.00 C ATOM 198 O PRO A 21 8.323 1.978 23.628 1.00 0.00 O ATOM 199 CB PRO A 21 9.235 -0.453 21.589 1.00 0.00 C ATOM 200 CG PRO A 21 10.540 -0.678 20.903 1.00 0.00 C ATOM 201 CD PRO A 21 10.645 0.392 19.859 1.00 0.00 C ATOM 202 N ASP A 22 10.521 1.986 23.156 1.00 0.00 N ATOM 203 CA ASP A 22 10.905 2.547 24.449 1.00 0.00 C ATOM 204 C ASP A 22 10.383 3.971 24.595 1.00 0.00 C ATOM 205 O ASP A 22 10.167 4.456 25.706 1.00 0.00 O ATOM 206 CB ASP A 22 12.428 2.530 24.614 1.00 0.00 C ATOM 207 CG ASP A 22 12.862 2.756 26.048 1.00 0.00 C ATOM 208 OD1 ASP A 22 12.814 1.793 26.842 1.00 0.00 O ATOM 209 OD2 ASP A 22 13.272 3.881 26.386 1.00 0.00 O ATOM 210 H ASP A 22 11.256 1.798 22.445 1.00 0.00 H ATOM 211 N ALA A 23 10.156 4.624 23.465 1.00 0.00 N ATOM 212 CA ALA A 23 9.697 6.001 23.459 1.00 0.00 C ATOM 213 C ALA A 23 8.291 6.113 22.878 1.00 0.00 C ATOM 214 O ALA A 23 7.792 7.217 22.656 1.00 0.00 O ATOM 215 CB ALA A 23 10.669 6.868 22.680 1.00 0.00 C ATOM 216 H ALA A 23 10.311 4.138 22.559 1.00 0.00 H ATOM 217 N ASP A 24 7.664 4.963 22.631 1.00 0.00 N ATOM 218 CA ASP A 24 6.299 4.904 22.088 1.00 0.00 C ATOM 219 C ASP A 24 6.216 5.594 20.726 1.00 0.00 C ATOM 220 O ASP A 24 5.148 6.048 20.306 1.00 0.00 O ATOM 221 CB ASP A 24 5.296 5.545 23.059 1.00 0.00 C ATOM 222 CG ASP A 24 5.194 4.798 24.372 1.00 0.00 C ATOM 223 OD1 ASP A 24 4.474 3.778 24.428 1.00 0.00 O ATOM 224 OD2 ASP A 24 5.830 5.223 25.358 1.00 0.00 O ATOM 225 H ASP A 24 8.161 4.071 22.830 1.00 0.00 H ATOM 226 N ILE A 25 7.342 5.641 20.029 1.00 0.00 N ATOM 227 CA ILE A 25 7.424 6.322 18.747 1.00 0.00 C ATOM 228 C ILE A 25 6.967 5.411 17.615 1.00 0.00 C ATOM 229 O ILE A 25 7.465 4.298 17.472 1.00 0.00 O ATOM 230 CB ILE A 25 8.867 6.813 18.466 1.00 0.00 C ATOM 231 CG1 ILE A 25 9.298 7.828 19.531 1.00 0.00 C ATOM 232 CG2 ILE A 25 8.969 7.421 17.071 1.00 0.00 C ATOM 233 CD1 ILE A 25 10.709 8.342 19.349 1.00 0.00 C ATOM 234 H ILE A 25 8.191 5.177 20.410 1.00 0.00 H ATOM 235 N LYS A 26 5.991 5.881 16.848 1.00 0.00 N ATOM 236 CA LYS A 26 5.541 5.200 15.638 1.00 0.00 C ATOM 237 C LYS A 26 5.165 6.244 14.597 1.00 0.00 C ATOM 238 O LYS A 26 3.992 6.579 14.438 1.00 0.00 O ATOM 239 CB LYS A 26 4.334 4.296 15.920 1.00 0.00 C ATOM 240 CG LYS A 26 4.656 3.049 16.727 1.00 0.00 C ATOM 241 CD LYS A 26 3.389 2.328 17.160 1.00 0.00 C ATOM 242 CE LYS A 26 2.559 1.858 15.972 1.00 0.00 C ATOM 243 NZ LYS A 26 3.190 0.717 15.257 1.00 0.00 N ATOM 244 HZ1 LYS A 26 4.125 1.005 14.903 1.00 0.00 H ATOM 245 HZ2 LYS A 26 3.298 -0.084 15.912 1.00 0.00 H ATOM 246 HZ3 LYS A 26 2.587 0.434 14.458 1.00 0.00 H ATOM 247 H LYS A 26 5.528 6.771 17.120 1.00 0.00 H ATOM 248 N GLU A 27 6.165 6.778 13.912 1.00 0.00 N ATOM 249 CA GLU A 27 5.955 7.902 13.013 1.00 0.00 C ATOM 250 C GLU A 27 6.469 7.609 11.605 1.00 0.00 C ATOM 251 O GLU A 27 7.485 6.941 11.425 1.00 0.00 O ATOM 252 CB GLU A 27 6.646 9.146 13.569 1.00 0.00 C ATOM 253 CG GLU A 27 5.937 9.757 14.767 1.00 0.00 C ATOM 254 CD GLU A 27 4.649 10.461 14.384 1.00 0.00 C ATOM 255 OE1 GLU A 27 4.711 11.651 14.019 1.00 0.00 O ATOM 256 OE2 GLU A 27 3.568 9.841 14.457 1.00 0.00 O ATOM 257 H GLU A 27 7.122 6.385 14.019 1.00 0.00 H ATOM 258 N PRO A 28 5.744 8.087 10.589 1.00 0.00 N ATOM 259 CA PRO A 28 6.174 7.997 9.191 1.00 0.00 C ATOM 260 C PRO A 28 7.368 8.905 8.898 1.00 0.00 C ATOM 261 O PRO A 28 7.417 10.049 9.358 1.00 0.00 O ATOM 262 CB PRO A 28 4.946 8.477 8.414 1.00 0.00 C ATOM 263 CG PRO A 28 4.212 9.349 9.370 1.00 0.00 C ATOM 264 CD PRO A 28 4.429 8.735 10.723 1.00 0.00 C ATOM 265 N VAL A 29 8.321 8.400 8.126 1.00 0.00 N ATOM 266 CA VAL A 29 9.482 9.182 7.744 1.00 0.00 C ATOM 267 C VAL A 29 9.258 9.742 6.358 1.00 0.00 C ATOM 268 O VAL A 29 8.840 9.018 5.452 1.00 0.00 O ATOM 269 CB VAL A 29 10.780 8.346 7.750 1.00 0.00 C ATOM 270 CG1 VAL A 29 11.975 9.196 7.342 1.00 0.00 C ATOM 271 CG2 VAL A 29 11.008 7.728 9.118 1.00 0.00 C ATOM 272 H VAL A 29 8.234 7.421 7.787 1.00 0.00 H ATOM 273 N TYR A 30 9.529 11.023 6.199 1.00 0.00 N ATOM 274 CA TYR A 30 9.254 11.704 4.948 1.00 0.00 C ATOM 275 C TYR A 30 10.480 11.681 4.048 1.00 0.00 C ATOM 276 O TYR A 30 11.463 12.388 4.283 1.00 0.00 O ATOM 277 CB TYR A 30 8.785 13.130 5.223 1.00 0.00 C ATOM 278 CG TYR A 30 7.571 13.168 6.121 1.00 0.00 C ATOM 279 CD1 TYR A 30 6.402 12.509 5.758 1.00 0.00 C ATOM 280 CD2 TYR A 30 7.598 13.835 7.337 1.00 0.00 C ATOM 281 CE1 TYR A 30 5.293 12.518 6.580 1.00 0.00 C ATOM 282 CE2 TYR A 30 6.493 13.846 8.168 1.00 0.00 C ATOM 283 CZ TYR A 30 5.343 13.187 7.784 1.00 0.00 C ATOM 284 OH TYR A 30 4.238 13.193 8.609 1.00 0.00 O ATOM 285 HH TYR A 30 3.507 12.677 8.184 1.00 0.00 H ATOM 286 H TYR A 30 9.949 11.556 6.987 1.00 0.00 H ATOM 287 N PRO A 31 10.435 10.835 3.013 1.00 0.00 N ATOM 288 CA PRO A 31 11.563 10.613 2.108 1.00 0.00 C ATOM 289 C PRO A 31 11.866 11.818 1.224 1.00 0.00 C ATOM 290 O PRO A 31 10.967 12.568 0.838 1.00 0.00 O ATOM 291 CB PRO A 31 11.109 9.424 1.258 1.00 0.00 C ATOM 292 CG PRO A 31 9.620 9.464 1.302 1.00 0.00 C ATOM 293 CD PRO A 31 9.261 10.020 2.649 1.00 0.00 C ATOM 294 N GLY A 32 13.143 12.013 0.934 1.00 0.00 N ATOM 295 CA GLY A 32 13.553 13.059 0.027 1.00 0.00 C ATOM 296 C GLY A 32 14.642 13.922 0.621 1.00 0.00 C ATOM 297 O GLY A 32 15.195 13.582 1.664 1.00 0.00 O ATOM 298 H GLY A 32 13.864 11.402 1.367 1.00 0.00 H ATOM 299 N PRO A 33 14.955 15.058 -0.015 1.00 0.00 N ATOM 300 CA PRO A 33 15.998 15.964 0.454 1.00 0.00 C ATOM 301 C PRO A 33 15.533 16.789 1.645 1.00 0.00 C ATOM 302 O PRO A 33 14.329 16.911 1.897 1.00 0.00 O ATOM 303 CB PRO A 33 16.276 16.876 -0.748 1.00 0.00 C ATOM 304 CG PRO A 33 15.396 16.393 -1.859 1.00 0.00 C ATOM 305 CD PRO A 33 14.319 15.556 -1.234 1.00 0.00 C ATOM 306 N ALA A 34 16.487 17.358 2.364 1.00 0.00 N ATOM 307 CA ALA A 34 16.187 18.147 3.543 1.00 0.00 C ATOM 308 C ALA A 34 15.788 19.562 3.163 1.00 0.00 C ATOM 309 O ALA A 34 16.509 20.249 2.433 1.00 0.00 O ATOM 310 CB ALA A 34 17.383 18.177 4.474 1.00 0.00 C ATOM 311 H ALA A 34 17.479 17.236 2.076 1.00 0.00 H ATOM 312 N THR A 35 14.634 19.985 3.646 1.00 0.00 N ATOM 313 CA THR A 35 14.159 21.337 3.434 1.00 0.00 C ATOM 314 C THR A 35 13.683 21.935 4.755 1.00 0.00 C ATOM 315 O THR A 35 12.958 21.278 5.507 1.00 0.00 O ATOM 316 CB THR A 35 13.020 21.373 2.395 1.00 0.00 C ATOM 317 OG1 THR A 35 11.954 20.495 2.786 1.00 0.00 O ATOM 318 CG2 THR A 35 13.533 20.967 1.022 1.00 0.00 C ATOM 319 HG1 THR A 35 11.598 20.781 3.664 1.00 0.00 H ATOM 320 H THR A 35 14.047 19.326 4.196 1.00 0.00 H ATOM 321 N PRO A 36 14.085 23.186 5.054 1.00 0.00 N ATOM 322 CA PRO A 36 13.794 23.847 6.335 1.00 0.00 C ATOM 323 C PRO A 36 12.330 23.731 6.758 1.00 0.00 C ATOM 324 O PRO A 36 12.028 23.575 7.940 1.00 0.00 O ATOM 325 CB PRO A 36 14.162 25.320 6.087 1.00 0.00 C ATOM 326 CG PRO A 36 14.461 25.429 4.625 1.00 0.00 C ATOM 327 CD PRO A 36 14.866 24.058 4.173 1.00 0.00 C ATOM 328 N GLU A 37 11.428 23.790 5.782 1.00 0.00 N ATOM 329 CA GLU A 37 10.000 23.690 6.049 1.00 0.00 C ATOM 330 C GLU A 37 9.631 22.303 6.572 1.00 0.00 C ATOM 331 O GLU A 37 9.038 22.173 7.643 1.00 0.00 O ATOM 332 CB GLU A 37 9.198 23.998 4.780 1.00 0.00 C ATOM 333 CG GLU A 37 7.707 23.739 4.927 1.00 0.00 C ATOM 334 CD GLU A 37 6.937 24.012 3.655 1.00 0.00 C ATOM 335 OE1 GLU A 37 7.318 23.472 2.595 1.00 0.00 O ATOM 336 OE2 GLU A 37 5.938 24.757 3.711 1.00 0.00 O ATOM 337 H GLU A 37 11.752 23.911 4.801 1.00 0.00 H ATOM 338 N GLN A 38 10.006 21.269 5.825 1.00 0.00 N ATOM 339 CA GLN A 38 9.580 19.913 6.135 1.00 0.00 C ATOM 340 C GLN A 38 10.162 19.442 7.463 1.00 0.00 C ATOM 341 O GLN A 38 9.510 18.713 8.211 1.00 0.00 O ATOM 342 CB GLN A 38 9.981 18.952 5.016 1.00 0.00 C ATOM 343 CG GLN A 38 9.310 17.594 5.129 1.00 0.00 C ATOM 344 CD GLN A 38 7.795 17.687 5.077 1.00 0.00 C ATOM 345 OE1 GLN A 38 7.233 18.575 4.433 1.00 0.00 O ATOM 346 NE2 GLN A 38 7.122 16.777 5.763 1.00 0.00 N ATOM 347 HE22 GLN A 38 7.633 16.043 6.294 1.00 0.00 H ATOM 348 HE21 GLN A 38 6.082 16.796 5.771 1.00 0.00 H ATOM 349 H GLN A 38 10.618 21.433 5.000 1.00 0.00 H ATOM 350 N LEU A 39 11.378 19.880 7.763 1.00 0.00 N ATOM 351 CA LEU A 39 12.048 19.503 8.998 1.00 0.00 C ATOM 352 C LEU A 39 11.375 20.116 10.229 1.00 0.00 C ATOM 353 O LEU A 39 11.732 19.795 11.365 1.00 0.00 O ATOM 354 CB LEU A 39 13.518 19.915 8.935 1.00 0.00 C ATOM 355 CG LEU A 39 14.445 18.941 8.194 1.00 0.00 C ATOM 356 CD1 LEU A 39 14.552 17.629 8.949 1.00 0.00 C ATOM 357 CD2 LEU A 39 13.971 18.683 6.771 1.00 0.00 C ATOM 358 H LEU A 39 11.866 20.511 7.096 1.00 0.00 H ATOM 359 N ASN A 40 10.415 21.005 10.007 1.00 0.00 N ATOM 360 CA ASN A 40 9.631 21.572 11.102 1.00 0.00 C ATOM 361 C ASN A 40 8.267 20.887 11.169 1.00 0.00 C ATOM 362 O ASN A 40 7.480 21.105 12.092 1.00 0.00 O ATOM 363 CB ASN A 40 9.447 23.081 10.908 1.00 0.00 C ATOM 364 CG ASN A 40 8.858 23.761 12.132 1.00 0.00 C ATOM 365 OD1 ASN A 40 9.124 23.365 13.265 1.00 0.00 O ATOM 366 ND2 ASN A 40 8.047 24.788 11.911 1.00 0.00 N ATOM 367 HD22 ASN A 40 7.847 25.092 10.937 1.00 0.00 H ATOM 368 HD21 ASN A 40 7.611 25.288 12.712 1.00 0.00 H ATOM 369 H ASN A 40 10.216 21.305 9.031 1.00 0.00 H ATOM 370 N ARG A 41 8.000 20.053 10.175 1.00 0.00 N ATOM 371 CA ARG A 41 6.719 19.366 10.062 1.00 0.00 C ATOM 372 C ARG A 41 6.873 17.907 10.476 1.00 0.00 C ATOM 373 O ARG A 41 5.952 17.296 11.018 1.00 0.00 O ATOM 374 CB ARG A 41 6.212 19.452 8.619 1.00 0.00 C ATOM 375 CG ARG A 41 6.289 20.858 8.041 1.00 0.00 C ATOM 376 CD ARG A 41 5.970 20.885 6.555 1.00 0.00 C ATOM 377 NE ARG A 41 4.537 20.868 6.292 1.00 0.00 N ATOM 378 CZ ARG A 41 4.004 20.665 5.088 1.00 0.00 C ATOM 379 NH1 ARG A 41 4.783 20.351 4.057 1.00 0.00 N ATOM 380 NH2 ARG A 41 2.694 20.771 4.925 1.00 0.00 N ATOM 381 HE ARG A 41 3.891 21.024 7.092 1.00 0.00 H ATOM 382 HH12 ARG A 41 4.364 20.193 3.118 1.00 0.00 H ATOM 383 HH11 ARG A 41 5.811 20.263 4.190 1.00 0.00 H ATOM 384 HH22 ARG A 41 2.272 20.614 3.987 1.00 0.00 H ATOM 385 HH21 ARG A 41 2.087 21.012 5.735 1.00 0.00 H ATOM 386 H ARG A 41 8.728 19.883 9.452 1.00 0.00 H ATOM 387 N GLY A 42 8.047 17.360 10.203 1.00 0.00 N ATOM 388 CA GLY A 42 8.354 15.998 10.583 1.00 0.00 C ATOM 389 C GLY A 42 9.822 15.690 10.381 1.00 0.00 C ATOM 390 O GLY A 42 10.657 16.595 10.389 1.00 0.00 O ATOM 391 H GLY A 42 8.765 17.922 9.704 1.00 0.00 H ATOM 392 N VAL A 43 10.130 14.419 10.194 1.00 0.00 N ATOM 393 CA VAL A 43 11.499 13.968 10.015 1.00 0.00 C ATOM 394 C VAL A 43 11.754 13.602 8.555 1.00 0.00 C ATOM 395 O VAL A 43 10.941 12.924 7.922 1.00 0.00 O ATOM 396 CB VAL A 43 11.790 12.749 10.920 1.00 0.00 C ATOM 397 CG1 VAL A 43 13.224 12.276 10.765 1.00 0.00 C ATOM 398 CG2 VAL A 43 11.494 13.090 12.374 1.00 0.00 C ATOM 399 H VAL A 43 9.364 13.716 10.174 1.00 0.00 H ATOM 400 N SER A 44 12.871 14.066 8.017 1.00 0.00 N ATOM 401 CA SER A 44 13.232 13.773 6.640 1.00 0.00 C ATOM 402 C SER A 44 14.704 13.396 6.546 1.00 0.00 C ATOM 403 O SER A 44 15.483 13.668 7.462 1.00 0.00 O ATOM 404 CB SER A 44 12.927 14.976 5.745 1.00 0.00 C ATOM 405 OG SER A 44 11.552 15.317 5.814 1.00 0.00 O ATOM 406 HG SER A 44 11.007 14.547 5.513 1.00 0.00 H ATOM 407 H SER A 44 13.506 14.654 8.594 1.00 0.00 H ATOM 408 N PHE A 45 15.077 12.760 5.446 1.00 0.00 N ATOM 409 CA PHE A 45 16.446 12.303 5.257 1.00 0.00 C ATOM 410 C PHE A 45 17.386 13.462 4.953 1.00 0.00 C ATOM 411 O PHE A 45 16.989 14.469 4.370 1.00 0.00 O ATOM 412 CB PHE A 45 16.517 11.267 4.132 1.00 0.00 C ATOM 413 CG PHE A 45 15.761 10.007 4.429 1.00 0.00 C ATOM 414 CD1 PHE A 45 16.261 9.079 5.327 1.00 0.00 C ATOM 415 CD2 PHE A 45 14.551 9.752 3.812 1.00 0.00 C ATOM 416 CE1 PHE A 45 15.565 7.918 5.601 1.00 0.00 C ATOM 417 CE2 PHE A 45 13.850 8.593 4.080 1.00 0.00 C ATOM 418 CZ PHE A 45 14.358 7.675 4.977 1.00 0.00 C ATOM 419 H PHE A 45 14.375 12.583 4.699 1.00 0.00 H ATOM 420 N ALA A 46 18.633 13.308 5.371 1.00 0.00 N ATOM 421 CA ALA A 46 19.668 14.289 5.086 1.00 0.00 C ATOM 422 C ALA A 46 20.452 13.870 3.851 1.00 0.00 C ATOM 423 O ALA A 46 21.196 14.660 3.269 1.00 0.00 O ATOM 424 CB ALA A 46 20.597 14.443 6.279 1.00 0.00 C ATOM 425 H ALA A 46 18.880 12.460 5.920 1.00 0.00 H ATOM 426 N GLU A 47 20.267 12.616 3.458 1.00 0.00 N ATOM 427 CA GLU A 47 20.940 12.062 2.296 1.00 0.00 C ATOM 428 C GLU A 47 20.230 12.494 1.021 1.00 0.00 C ATOM 429 O GLU A 47 19.007 12.429 0.927 1.00 0.00 O ATOM 430 CB GLU A 47 20.977 10.534 2.383 1.00 0.00 C ATOM 431 CG GLU A 47 21.741 10.008 3.589 1.00 0.00 C ATOM 432 CD GLU A 47 23.231 10.283 3.513 1.00 0.00 C ATOM 433 OE1 GLU A 47 23.904 9.694 2.644 1.00 0.00 O ATOM 434 OE2 GLU A 47 23.735 11.076 4.333 1.00 0.00 O ATOM 435 H GLU A 47 19.619 12.010 4.000 1.00 0.00 H ATOM 436 N GLU A 48 21.005 12.938 0.047 1.00 0.00 N ATOM 437 CA GLU A 48 20.456 13.368 -1.233 1.00 0.00 C ATOM 438 C GLU A 48 20.230 12.173 -2.156 1.00 0.00 C ATOM 439 O GLU A 48 19.661 12.304 -3.240 1.00 0.00 O ATOM 440 CB GLU A 48 21.404 14.368 -1.895 1.00 0.00 C ATOM 441 CG GLU A 48 22.803 13.814 -2.111 1.00 0.00 C ATOM 442 CD GLU A 48 23.753 14.831 -2.702 1.00 0.00 C ATOM 443 OE1 GLU A 48 24.412 15.550 -1.924 1.00 0.00 O ATOM 444 OE2 GLU A 48 23.849 14.910 -3.943 1.00 0.00 O ATOM 445 H GLU A 48 22.033 12.982 0.198 1.00 0.00 H ATOM 446 N ASN A 49 20.677 11.008 -1.714 1.00 0.00 N ATOM 447 CA ASN A 49 20.584 9.797 -2.514 1.00 0.00 C ATOM 448 C ASN A 49 19.268 9.084 -2.225 1.00 0.00 C ATOM 449 O ASN A 49 18.934 8.830 -1.068 1.00 0.00 O ATOM 450 CB ASN A 49 21.770 8.877 -2.206 1.00 0.00 C ATOM 451 CG ASN A 49 22.378 8.241 -3.448 1.00 0.00 C ATOM 452 OD1 ASN A 49 23.589 8.031 -3.513 1.00 0.00 O ATOM 453 ND2 ASN A 49 21.555 7.918 -4.436 1.00 0.00 N ATOM 454 HD22 ASN A 49 20.537 8.110 -4.348 1.00 0.00 H ATOM 455 HD21 ASN A 49 21.928 7.473 -5.299 1.00 0.00 H ATOM 456 H ASN A 49 21.107 10.957 -0.768 1.00 0.00 H ATOM 457 N GLU A 50 18.531 8.755 -3.280 1.00 0.00 N ATOM 458 CA GLU A 50 17.204 8.143 -3.154 1.00 0.00 C ATOM 459 C GLU A 50 17.284 6.667 -2.750 1.00 0.00 C ATOM 460 O GLU A 50 16.309 5.918 -2.875 1.00 0.00 O ATOM 461 CB GLU A 50 16.436 8.278 -4.478 1.00 0.00 C ATOM 462 CG GLU A 50 16.907 7.343 -5.589 1.00 0.00 C ATOM 463 CD GLU A 50 18.386 7.473 -5.886 1.00 0.00 C ATOM 464 OE1 GLU A 50 18.790 8.474 -6.505 1.00 0.00 O ATOM 465 OE2 GLU A 50 19.157 6.583 -5.473 1.00 0.00 O ATOM 466 H GLU A 50 18.909 8.938 -4.231 1.00 0.00 H ATOM 467 N SER A 51 18.428 6.262 -2.233 1.00 0.00 N ATOM 468 CA SER A 51 18.666 4.869 -1.920 1.00 0.00 C ATOM 469 C SER A 51 18.575 4.607 -0.423 1.00 0.00 C ATOM 470 O SER A 51 19.453 4.991 0.345 1.00 0.00 O ATOM 471 CB SER A 51 20.036 4.450 -2.426 1.00 0.00 C ATOM 472 OG SER A 51 20.171 4.687 -3.820 1.00 0.00 O ATOM 473 HG SER A 51 20.051 5.653 -4.003 1.00 0.00 H ATOM 474 H SER A 51 19.176 6.960 -2.046 1.00 0.00 H ATOM 475 N LEU A 52 17.505 3.946 -0.023 1.00 0.00 N ATOM 476 CA LEU A 52 17.361 3.474 1.349 1.00 0.00 C ATOM 477 C LEU A 52 17.919 2.059 1.460 1.00 0.00 C ATOM 478 O LEU A 52 17.806 1.395 2.494 1.00 0.00 O ATOM 479 CB LEU A 52 15.892 3.537 1.800 1.00 0.00 C ATOM 480 CG LEU A 52 14.845 3.069 0.778 1.00 0.00 C ATOM 481 CD1 LEU A 52 14.913 1.565 0.554 1.00 0.00 C ATOM 482 CD2 LEU A 52 13.451 3.473 1.232 1.00 0.00 C ATOM 483 H LEU A 52 16.743 3.757 -0.705 1.00 0.00 H ATOM 484 N ASP A 53 18.520 1.616 0.363 1.00 0.00 N ATOM 485 CA ASP A 53 19.141 0.303 0.281 1.00 0.00 C ATOM 486 C ASP A 53 20.606 0.402 0.697 1.00 0.00 C ATOM 487 O ASP A 53 21.292 -0.605 0.872 1.00 0.00 O ATOM 488 CB ASP A 53 19.016 -0.230 -1.151 1.00 0.00 C ATOM 489 CG ASP A 53 19.483 -1.663 -1.299 1.00 0.00 C ATOM 490 OD1 ASP A 53 18.847 -2.559 -0.709 1.00 0.00 O ATOM 491 OD2 ASP A 53 20.463 -1.903 -2.036 1.00 0.00 O ATOM 492 H ASP A 53 18.548 2.233 -0.473 1.00 0.00 H ATOM 493 N ASP A 54 21.070 1.638 0.858 1.00 0.00 N ATOM 494 CA ASP A 54 22.436 1.899 1.295 1.00 0.00 C ATOM 495 C ASP A 54 22.531 1.685 2.802 1.00 0.00 C ATOM 496 O ASP A 54 21.513 1.717 3.500 1.00 0.00 O ATOM 497 CB ASP A 54 22.846 3.332 0.927 1.00 0.00 C ATOM 498 CG ASP A 54 24.339 3.572 1.051 1.00 0.00 C ATOM 499 OD1 ASP A 54 24.812 3.854 2.169 1.00 0.00 O ATOM 500 OD2 ASP A 54 25.048 3.468 0.025 1.00 0.00 O ATOM 501 H ASP A 54 20.439 2.442 0.666 1.00 0.00 H ATOM 502 N GLN A 55 23.737 1.465 3.304 1.00 0.00 N ATOM 503 CA GLN A 55 23.920 1.154 4.715 1.00 0.00 C ATOM 504 C GLN A 55 24.032 2.437 5.548 1.00 0.00 C ATOM 505 O GLN A 55 23.948 2.399 6.773 1.00 0.00 O ATOM 506 CB GLN A 55 25.153 0.257 4.921 1.00 0.00 C ATOM 507 CG GLN A 55 26.484 0.991 4.908 1.00 0.00 C ATOM 508 CD GLN A 55 26.804 1.644 3.582 1.00 0.00 C ATOM 509 OE1 GLN A 55 26.443 1.144 2.514 1.00 0.00 O ATOM 510 NE2 GLN A 55 27.464 2.783 3.652 1.00 0.00 N ATOM 511 HE22 GLN A 55 27.747 3.164 4.577 1.00 0.00 H ATOM 512 HE21 GLN A 55 27.702 3.300 2.782 1.00 0.00 H ATOM 513 H GLN A 55 24.567 1.515 2.680 1.00 0.00 H ATOM 514 N ASN A 56 24.224 3.571 4.884 1.00 0.00 N ATOM 515 CA ASN A 56 24.293 4.851 5.580 1.00 0.00 C ATOM 516 C ASN A 56 23.014 5.645 5.365 1.00 0.00 C ATOM 517 O ASN A 56 22.773 6.184 4.283 1.00 0.00 O ATOM 518 CB ASN A 56 25.506 5.661 5.115 1.00 0.00 C ATOM 519 CG ASN A 56 25.609 7.016 5.797 1.00 0.00 C ATOM 520 OD1 ASN A 56 26.205 7.141 6.869 1.00 0.00 O ATOM 521 ND2 ASN A 56 25.055 8.044 5.171 1.00 0.00 N ATOM 522 HD22 ASN A 56 24.561 7.898 4.268 1.00 0.00 H ATOM 523 HD21 ASN A 56 25.115 8.997 5.583 1.00 0.00 H ATOM 524 H ASN A 56 24.327 3.546 3.849 1.00 0.00 H ATOM 525 N ILE A 57 22.196 5.704 6.400 1.00 0.00 N ATOM 526 CA ILE A 57 20.929 6.410 6.334 1.00 0.00 C ATOM 527 C ILE A 57 20.925 7.592 7.296 1.00 0.00 C ATOM 528 O ILE A 57 20.778 7.423 8.501 1.00 0.00 O ATOM 529 CB ILE A 57 19.746 5.459 6.644 1.00 0.00 C ATOM 530 CG1 ILE A 57 19.527 4.482 5.483 1.00 0.00 C ATOM 531 CG2 ILE A 57 18.467 6.231 6.956 1.00 0.00 C ATOM 532 CD1 ILE A 57 19.244 5.160 4.155 1.00 0.00 C ATOM 533 H ILE A 57 22.467 5.232 7.286 1.00 0.00 H ATOM 534 N SER A 58 21.121 8.786 6.766 1.00 0.00 N ATOM 535 CA SER A 58 21.108 9.983 7.590 1.00 0.00 C ATOM 536 C SER A 58 19.717 10.610 7.597 1.00 0.00 C ATOM 537 O SER A 58 19.149 10.889 6.541 1.00 0.00 O ATOM 538 CB SER A 58 22.131 10.994 7.079 1.00 0.00 C ATOM 539 OG SER A 58 23.390 10.381 6.851 1.00 0.00 O ATOM 540 HG SER A 58 24.031 11.059 6.521 1.00 0.00 H ATOM 541 H SER A 58 21.287 8.871 5.743 1.00 0.00 H ATOM 542 N ILE A 59 19.174 10.823 8.786 1.00 0.00 N ATOM 543 CA ILE A 59 17.854 11.420 8.932 1.00 0.00 C ATOM 544 C ILE A 59 17.944 12.610 9.882 1.00 0.00 C ATOM 545 O ILE A 59 18.695 12.569 10.849 1.00 0.00 O ATOM 546 CB ILE A 59 16.821 10.405 9.480 1.00 0.00 C ATOM 547 CG1 ILE A 59 17.296 8.964 9.259 1.00 0.00 C ATOM 548 CG2 ILE A 59 15.476 10.613 8.802 1.00 0.00 C ATOM 549 CD1 ILE A 59 16.364 7.915 9.832 1.00 0.00 C ATOM 550 H ILE A 59 19.705 10.556 9.639 1.00 0.00 H ATOM 551 N ALA A 60 17.202 13.670 9.614 1.00 0.00 N ATOM 552 CA ALA A 60 17.279 14.868 10.443 1.00 0.00 C ATOM 553 C ALA A 60 15.946 15.165 11.119 1.00 0.00 C ATOM 554 O ALA A 60 14.883 14.896 10.559 1.00 0.00 O ATOM 555 CB ALA A 60 17.731 16.056 9.610 1.00 0.00 C ATOM 556 H ALA A 60 16.554 13.650 8.801 1.00 0.00 H ATOM 557 N GLY A 61 16.008 15.724 12.322 1.00 0.00 N ATOM 558 CA GLY A 61 14.802 16.049 13.058 1.00 0.00 C ATOM 559 C GLY A 61 15.030 17.166 14.058 1.00 0.00 C ATOM 560 O GLY A 61 16.091 17.791 14.069 1.00 0.00 O ATOM 561 H GLY A 61 16.936 15.932 12.743 1.00 0.00 H ATOM 562 N HIS A 62 14.040 17.425 14.902 1.00 0.00 N ATOM 563 CA HIS A 62 14.142 18.487 15.899 1.00 0.00 C ATOM 564 C HIS A 62 13.606 18.018 17.247 1.00 0.00 C ATOM 565 O HIS A 62 12.823 17.070 17.313 1.00 0.00 O ATOM 566 CB HIS A 62 13.401 19.747 15.434 1.00 0.00 C ATOM 567 CG HIS A 62 14.126 20.507 14.362 1.00 0.00 C ATOM 568 ND1 HIS A 62 13.653 20.645 13.074 1.00 0.00 N ATOM 569 CD2 HIS A 62 15.304 21.177 14.399 1.00 0.00 C ATOM 570 CE1 HIS A 62 14.508 21.364 12.368 1.00 0.00 C ATOM 571 NE2 HIS A 62 15.519 21.700 13.148 1.00 0.00 N ATOM 572 H HIS A 62 13.170 16.858 14.852 1.00 0.00 H ATOM 573 N THR A 63 14.048 18.684 18.308 1.00 0.00 N ATOM 574 CA THR A 63 13.708 18.304 19.672 1.00 0.00 C ATOM 575 C THR A 63 12.301 18.779 20.056 1.00 0.00 C ATOM 576 O THR A 63 11.545 19.285 19.222 1.00 0.00 O ATOM 577 CB THR A 63 14.744 18.886 20.658 1.00 0.00 C ATOM 578 OG1 THR A 63 14.636 18.263 21.945 1.00 0.00 O ATOM 579 CG2 THR A 63 14.555 20.384 20.802 1.00 0.00 C ATOM 580 HG1 THR A 63 15.309 18.653 22.557 1.00 0.00 H ATOM 581 H THR A 63 14.662 19.510 18.158 1.00 0.00 H ATOM 582 N PHE A 64 11.973 18.621 21.329 1.00 0.00 N ATOM 583 CA PHE A 64 10.671 18.987 21.856 1.00 0.00 C ATOM 584 C PHE A 64 10.787 20.220 22.745 1.00 0.00 C ATOM 585 O PHE A 64 11.769 20.383 23.474 1.00 0.00 O ATOM 586 CB PHE A 64 10.088 17.819 22.663 1.00 0.00 C ATOM 587 CG PHE A 64 10.932 17.422 23.847 1.00 0.00 C ATOM 588 CD1 PHE A 64 12.056 16.625 23.683 1.00 0.00 C ATOM 589 CD2 PHE A 64 10.610 17.861 25.121 1.00 0.00 C ATOM 590 CE1 PHE A 64 12.836 16.271 24.766 1.00 0.00 C ATOM 591 CE2 PHE A 64 11.387 17.512 26.206 1.00 0.00 C ATOM 592 CZ PHE A 64 12.502 16.717 26.029 1.00 0.00 C ATOM 593 H PHE A 64 12.678 18.218 21.979 1.00 0.00 H ATOM 594 N ILE A 65 9.796 21.096 22.670 1.00 0.00 N ATOM 595 CA ILE A 65 9.728 22.236 23.573 1.00 0.00 C ATOM 596 C ILE A 65 8.342 22.305 24.213 1.00 0.00 C ATOM 597 O ILE A 65 8.107 21.700 25.255 1.00 0.00 O ATOM 598 CB ILE A 65 10.070 23.592 22.894 1.00 0.00 C ATOM 599 CG1 ILE A 65 11.425 23.539 22.172 1.00 0.00 C ATOM 600 CG2 ILE A 65 10.086 24.714 23.928 1.00 0.00 C ATOM 601 CD1 ILE A 65 11.355 23.001 20.756 1.00 0.00 C ATOM 602 H ILE A 65 9.053 20.967 21.953 1.00 0.00 H ATOM 603 N ASP A 66 7.421 23.017 23.577 1.00 0.00 N ATOM 604 CA ASP A 66 6.045 23.080 24.056 1.00 0.00 C ATOM 605 C ASP A 66 5.193 22.074 23.309 1.00 0.00 C ATOM 606 O ASP A 66 4.161 21.621 23.801 1.00 0.00 O ATOM 607 CB ASP A 66 5.454 24.478 23.853 1.00 0.00 C ATOM 608 CG ASP A 66 6.077 25.524 24.749 1.00 0.00 C ATOM 609 OD1 ASP A 66 7.106 26.107 24.359 1.00 0.00 O ATOM 610 OD2 ASP A 66 5.529 25.780 25.841 1.00 0.00 O ATOM 611 H ASP A 66 7.686 23.541 22.719 1.00 0.00 H ATOM 612 N ARG A 67 5.648 21.716 22.119 1.00 0.00 N ATOM 613 CA ARG A 67 4.865 20.888 21.220 1.00 0.00 C ATOM 614 C ARG A 67 5.274 19.427 21.322 1.00 0.00 C ATOM 615 O ARG A 67 6.395 19.069 20.969 1.00 0.00 O ATOM 616 CB ARG A 67 5.025 21.368 19.775 1.00 0.00 C ATOM 617 CG ARG A 67 4.479 22.764 19.524 1.00 0.00 C ATOM 618 CD ARG A 67 2.995 22.842 19.837 1.00 0.00 C ATOM 619 NE ARG A 67 2.396 24.098 19.390 1.00 0.00 N ATOM 620 CZ ARG A 67 1.145 24.465 19.667 1.00 0.00 C ATOM 621 NH1 ARG A 67 0.405 23.740 20.498 1.00 0.00 N ATOM 622 NH2 ARG A 67 0.643 25.576 19.141 1.00 0.00 N ATOM 623 HE ARG A 67 2.981 24.744 18.822 1.00 0.00 H ATOM 624 HH12 ARG A 67 -0.571 24.029 20.712 1.00 0.00 H ATOM 625 HH11 ARG A 67 0.801 22.883 20.935 1.00 0.00 H ATOM 626 HH22 ARG A 67 -0.334 25.860 19.359 1.00 0.00 H ATOM 627 HH21 ARG A 67 1.226 26.163 18.511 1.00 0.00 H ATOM 628 H ARG A 67 6.591 22.036 21.820 1.00 0.00 H ATOM 629 N PRO A 68 4.364 18.567 21.802 1.00 0.00 N ATOM 630 CA PRO A 68 4.589 17.123 21.857 1.00 0.00 C ATOM 631 C PRO A 68 4.293 16.460 20.515 1.00 0.00 C ATOM 632 O PRO A 68 4.281 15.237 20.397 1.00 0.00 O ATOM 633 CB PRO A 68 3.592 16.665 22.916 1.00 0.00 C ATOM 634 CG PRO A 68 2.452 17.618 22.794 1.00 0.00 C ATOM 635 CD PRO A 68 3.041 18.936 22.352 1.00 0.00 C ATOM 636 N ASN A 69 4.069 17.285 19.500 1.00 0.00 N ATOM 637 CA ASN A 69 3.699 16.797 18.178 1.00 0.00 C ATOM 638 C ASN A 69 4.910 16.649 17.268 1.00 0.00 C ATOM 639 O ASN A 69 4.765 16.510 16.055 1.00 0.00 O ATOM 640 CB ASN A 69 2.659 17.720 17.537 1.00 0.00 C ATOM 641 CG ASN A 69 1.242 17.194 17.688 1.00 0.00 C ATOM 642 OD1 ASN A 69 0.370 17.491 16.873 1.00 0.00 O ATOM 643 ND2 ASN A 69 1.005 16.393 18.718 1.00 0.00 N ATOM 644 HD22 ASN A 69 1.769 16.165 19.386 1.00 0.00 H ATOM 645 HD21 ASN A 69 0.055 15.993 18.858 1.00 0.00 H ATOM 646 H ASN A 69 4.160 18.310 19.653 1.00 0.00 H ATOM 647 N TYR A 70 6.104 16.678 17.847 1.00 0.00 N ATOM 648 CA TYR A 70 7.302 16.366 17.083 1.00 0.00 C ATOM 649 C TYR A 70 7.560 14.867 17.170 1.00 0.00 C ATOM 650 O TYR A 70 7.338 14.254 18.216 1.00 0.00 O ATOM 651 CB TYR A 70 8.516 17.165 17.576 1.00 0.00 C ATOM 652 CG TYR A 70 8.539 18.603 17.100 1.00 0.00 C ATOM 653 CD1 TYR A 70 7.728 19.570 17.684 1.00 0.00 C ATOM 654 CD2 TYR A 70 9.385 18.995 16.068 1.00 0.00 C ATOM 655 CE1 TYR A 70 7.757 20.883 17.249 1.00 0.00 C ATOM 656 CE2 TYR A 70 9.419 20.305 15.629 1.00 0.00 C ATOM 657 CZ TYR A 70 8.605 21.245 16.223 1.00 0.00 C ATOM 658 OH TYR A 70 8.642 22.553 15.793 1.00 0.00 O ATOM 659 HH TYR A 70 8.396 22.591 14.835 1.00 0.00 H ATOM 660 H TYR A 70 6.184 16.926 18.854 1.00 0.00 H ATOM 661 N GLN A 71 8.033 14.285 16.079 1.00 0.00 N ATOM 662 CA GLN A 71 8.087 12.832 15.941 1.00 0.00 C ATOM 663 C GLN A 71 9.120 12.195 16.877 1.00 0.00 C ATOM 664 O GLN A 71 9.182 10.974 17.003 1.00 0.00 O ATOM 665 CB GLN A 71 8.375 12.462 14.483 1.00 0.00 C ATOM 666 CG GLN A 71 7.623 13.334 13.484 1.00 0.00 C ATOM 667 CD GLN A 71 7.499 12.703 12.112 1.00 0.00 C ATOM 668 OE1 GLN A 71 8.387 12.819 11.278 1.00 0.00 O ATOM 669 NE2 GLN A 71 6.378 12.067 11.854 1.00 0.00 N ATOM 670 HE22 GLN A 71 5.645 11.988 12.587 1.00 0.00 H ATOM 671 HE21 GLN A 71 6.224 11.643 10.917 1.00 0.00 H ATOM 672 H GLN A 71 8.376 14.880 15.298 1.00 0.00 H ATOM 673 N PHE A 72 9.920 13.021 17.542 1.00 0.00 N ATOM 674 CA PHE A 72 10.917 12.521 18.483 1.00 0.00 C ATOM 675 C PHE A 72 10.832 13.248 19.823 1.00 0.00 C ATOM 676 O PHE A 72 11.837 13.418 20.510 1.00 0.00 O ATOM 677 CB PHE A 72 12.325 12.658 17.897 1.00 0.00 C ATOM 678 CG PHE A 72 12.629 11.649 16.827 1.00 0.00 C ATOM 679 CD1 PHE A 72 12.639 10.296 17.124 1.00 0.00 C ATOM 680 CD2 PHE A 72 12.904 12.049 15.531 1.00 0.00 C ATOM 681 CE1 PHE A 72 12.919 9.360 16.150 1.00 0.00 C ATOM 682 CE2 PHE A 72 13.185 11.115 14.551 1.00 0.00 C ATOM 683 CZ PHE A 72 13.189 9.769 14.861 1.00 0.00 C ATOM 684 H PHE A 72 9.834 14.046 17.389 1.00 0.00 H ATOM 685 N THR A 73 9.624 13.641 20.211 1.00 0.00 N ATOM 686 CA THR A 73 9.420 14.349 21.470 1.00 0.00 C ATOM 687 C THR A 73 9.765 13.471 22.673 1.00 0.00 C ATOM 688 O THR A 73 10.290 13.951 23.676 1.00 0.00 O ATOM 689 CB THR A 73 7.968 14.853 21.596 1.00 0.00 C ATOM 690 OG1 THR A 73 7.053 13.815 21.219 1.00 0.00 O ATOM 691 CG2 THR A 73 7.747 16.073 20.727 1.00 0.00 C ATOM 692 HG1 THR A 73 7.226 13.549 20.281 1.00 0.00 H ATOM 693 H THR A 73 8.805 13.439 19.603 1.00 0.00 H ATOM 694 N ASN A 74 9.491 12.177 22.563 1.00 0.00 N ATOM 695 CA ASN A 74 9.737 11.261 23.670 1.00 0.00 C ATOM 696 C ASN A 74 11.044 10.496 23.469 1.00 0.00 C ATOM 697 O ASN A 74 11.335 9.539 24.184 1.00 0.00 O ATOM 698 CB ASN A 74 8.567 10.287 23.824 1.00 0.00 C ATOM 699 CG ASN A 74 8.571 9.571 25.165 1.00 0.00 C ATOM 700 OD1 ASN A 74 9.047 10.105 26.169 1.00 0.00 O ATOM 701 ND2 ASN A 74 8.033 8.363 25.192 1.00 0.00 N ATOM 702 HD22 ASN A 74 7.642 7.948 24.322 1.00 0.00 H ATOM 703 HD21 ASN A 74 8.001 7.828 26.083 1.00 0.00 H ATOM 704 H ASN A 74 9.095 11.811 21.674 1.00 0.00 H ATOM 705 N LEU A 75 11.858 10.952 22.519 1.00 0.00 N ATOM 706 CA LEU A 75 13.143 10.311 22.237 1.00 0.00 C ATOM 707 C LEU A 75 14.087 10.456 23.431 1.00 0.00 C ATOM 708 O LEU A 75 15.127 9.802 23.505 1.00 0.00 O ATOM 709 CB LEU A 75 13.780 10.918 20.988 1.00 0.00 C ATOM 710 CG LEU A 75 15.038 10.205 20.487 1.00 0.00 C ATOM 711 CD1 LEU A 75 14.723 8.768 20.095 1.00 0.00 C ATOM 712 CD2 LEU A 75 15.631 10.959 19.312 1.00 0.00 C ATOM 713 H LEU A 75 11.574 11.784 21.964 1.00 0.00 H ATOM 714 N LYS A 76 13.698 11.318 24.364 1.00 0.00 N ATOM 715 CA LYS A 76 14.455 11.554 25.586 1.00 0.00 C ATOM 716 C LYS A 76 14.520 10.294 26.449 1.00 0.00 C ATOM 717 O LYS A 76 15.464 10.104 27.216 1.00 0.00 O ATOM 718 CB LYS A 76 13.804 12.700 26.370 1.00 0.00 C ATOM 719 CG LYS A 76 12.355 12.431 26.754 1.00 0.00 C ATOM 720 CD LYS A 76 11.668 13.693 27.250 1.00 0.00 C ATOM 721 CE LYS A 76 10.231 13.430 27.673 1.00 0.00 C ATOM 722 NZ LYS A 76 10.150 12.706 28.970 1.00 0.00 N ATOM 723 HZ1 LYS A 76 10.635 11.790 28.885 1.00 0.00 H ATOM 724 HZ2 LYS A 76 10.607 13.274 29.712 1.00 0.00 H ATOM 725 HZ3 LYS A 76 9.152 12.550 29.217 1.00 0.00 H ATOM 726 H LYS A 76 12.815 11.847 24.216 1.00 0.00 H ATOM 727 N ALA A 77 13.518 9.432 26.305 1.00 0.00 N ATOM 728 CA ALA A 77 13.422 8.227 27.118 1.00 0.00 C ATOM 729 C ALA A 77 14.331 7.124 26.592 1.00 0.00 C ATOM 730 O ALA A 77 14.997 6.441 27.370 1.00 0.00 O ATOM 731 CB ALA A 77 11.980 7.743 27.173 1.00 0.00 C ATOM 732 H ALA A 77 12.784 9.623 25.594 1.00 0.00 H ATOM 733 N ALA A 78 14.369 6.976 25.272 1.00 0.00 N ATOM 734 CA ALA A 78 15.093 5.880 24.632 1.00 0.00 C ATOM 735 C ALA A 78 16.567 5.857 25.029 1.00 0.00 C ATOM 736 O ALA A 78 17.222 6.896 25.100 1.00 0.00 O ATOM 737 CB ALA A 78 14.948 5.970 23.122 1.00 0.00 C ATOM 738 H ALA A 78 13.867 7.663 24.674 1.00 0.00 H ATOM 739 N LYS A 79 17.081 4.662 25.290 1.00 0.00 N ATOM 740 CA LYS A 79 18.452 4.508 25.756 1.00 0.00 C ATOM 741 C LYS A 79 19.359 4.018 24.635 1.00 0.00 C ATOM 742 O LYS A 79 18.892 3.649 23.559 1.00 0.00 O ATOM 743 CB LYS A 79 18.533 3.530 26.934 1.00 0.00 C ATOM 744 CG LYS A 79 17.670 3.905 28.132 1.00 0.00 C ATOM 745 CD LYS A 79 16.219 3.481 27.953 1.00 0.00 C ATOM 746 CE LYS A 79 15.363 3.972 29.107 1.00 0.00 C ATOM 747 NZ LYS A 79 13.936 3.605 28.934 1.00 0.00 N ATOM 748 HZ1 LYS A 79 13.574 4.029 28.056 1.00 0.00 H ATOM 749 HZ2 LYS A 79 13.849 2.570 28.881 1.00 0.00 H ATOM 750 HZ3 LYS A 79 13.388 3.959 29.744 1.00 0.00 H ATOM 751 H LYS A 79 16.491 3.816 25.159 1.00 0.00 H ATOM 752 N LYS A 80 20.654 3.971 24.921 1.00 0.00 N ATOM 753 CA LYS A 80 21.662 3.579 23.931 1.00 0.00 C ATOM 754 C LYS A 80 21.643 2.077 23.670 1.00 0.00 C ATOM 755 O LYS A 80 22.398 1.561 22.848 1.00 0.00 O ATOM 756 CB LYS A 80 23.070 4.018 24.365 1.00 0.00 C ATOM 757 CG LYS A 80 23.646 3.273 25.571 1.00 0.00 C ATOM 758 CD LYS A 80 23.004 3.697 26.886 1.00 0.00 C ATOM 759 CE LYS A 80 23.000 5.211 27.050 1.00 0.00 C ATOM 760 NZ LYS A 80 24.373 5.783 27.052 1.00 0.00 N ATOM 761 HZ1 LYS A 80 24.916 5.375 27.839 1.00 0.00 H ATOM 762 HZ2 LYS A 80 24.842 5.557 26.152 1.00 0.00 H ATOM 763 HZ3 LYS A 80 24.317 6.815 27.166 1.00 0.00 H ATOM 764 H LYS A 80 20.965 4.221 25.881 1.00 0.00 H ATOM 765 N GLY A 81 20.782 1.382 24.379 1.00 0.00 N ATOM 766 CA GLY A 81 20.621 -0.035 24.156 1.00 0.00 C ATOM 767 C GLY A 81 19.175 -0.396 23.925 1.00 0.00 C ATOM 768 O GLY A 81 18.717 -1.465 24.329 1.00 0.00 O ATOM 769 H GLY A 81 20.212 1.857 25.107 1.00 0.00 H ATOM 770 N SER A 82 18.448 0.507 23.286 1.00 0.00 N ATOM 771 CA SER A 82 17.071 0.265 22.950 1.00 0.00 C ATOM 772 C SER A 82 16.979 -0.202 21.504 1.00 0.00 C ATOM 773 O SER A 82 17.996 -0.429 20.844 1.00 0.00 O ATOM 774 CB SER A 82 16.243 1.536 23.168 1.00 0.00 C ATOM 775 OG SER A 82 14.853 1.265 23.076 1.00 0.00 O ATOM 776 HG SER A 82 14.344 2.102 23.221 1.00 0.00 H ATOM 777 H SER A 82 18.883 1.413 23.021 1.00 0.00 H ATOM 778 N MET A 83 15.764 -0.317 21.019 1.00 0.00 N ATOM 779 CA MET A 83 15.513 -0.853 19.693 1.00 0.00 C ATOM 780 C MET A 83 14.827 0.166 18.809 1.00 0.00 C ATOM 781 O MET A 83 13.747 0.666 19.125 1.00 0.00 O ATOM 782 CB MET A 83 14.673 -2.127 19.774 1.00 0.00 C ATOM 783 CG MET A 83 15.457 -3.333 20.262 1.00 0.00 C ATOM 784 SD MET A 83 15.999 -4.420 18.922 1.00 0.00 S ATOM 785 CE MET A 83 17.145 -3.355 18.050 1.00 0.00 C ATOM 786 H MET A 83 14.957 -0.015 21.602 1.00 0.00 H ATOM 787 N VAL A 84 15.477 0.465 17.706 1.00 0.00 N ATOM 788 CA VAL A 84 14.948 1.380 16.717 1.00 0.00 C ATOM 789 C VAL A 84 14.511 0.603 15.490 1.00 0.00 C ATOM 790 O VAL A 84 15.338 0.052 14.764 1.00 0.00 O ATOM 791 CB VAL A 84 15.999 2.435 16.311 1.00 0.00 C ATOM 792 CG1 VAL A 84 15.473 3.333 15.206 1.00 0.00 C ATOM 793 CG2 VAL A 84 16.406 3.260 17.514 1.00 0.00 C ATOM 794 H VAL A 84 16.406 0.028 17.538 1.00 0.00 H ATOM 795 N TYR A 85 13.215 0.535 15.271 1.00 0.00 N ATOM 796 CA TYR A 85 12.688 -0.205 14.143 1.00 0.00 C ATOM 797 C TYR A 85 12.450 0.716 12.962 1.00 0.00 C ATOM 798 O TYR A 85 11.616 1.619 13.016 1.00 0.00 O ATOM 799 CB TYR A 85 11.400 -0.936 14.525 1.00 0.00 C ATOM 800 CG TYR A 85 11.629 -2.070 15.495 1.00 0.00 C ATOM 801 CD1 TYR A 85 12.367 -3.181 15.114 1.00 0.00 C ATOM 802 CD2 TYR A 85 11.122 -2.029 16.787 1.00 0.00 C ATOM 803 CE1 TYR A 85 12.593 -4.222 15.991 1.00 0.00 C ATOM 804 CE2 TYR A 85 11.347 -3.067 17.674 1.00 0.00 C ATOM 805 CZ TYR A 85 12.082 -4.163 17.268 1.00 0.00 C ATOM 806 OH TYR A 85 12.313 -5.203 18.142 1.00 0.00 O ATOM 807 HH TYR A 85 12.852 -5.899 17.689 1.00 0.00 H ATOM 808 H TYR A 85 12.560 1.020 15.917 1.00 0.00 H ATOM 809 N PHE A 86 13.216 0.501 11.908 1.00 0.00 N ATOM 810 CA PHE A 86 13.048 1.252 10.681 1.00 0.00 C ATOM 811 C PHE A 86 12.326 0.378 9.669 1.00 0.00 C ATOM 812 O PHE A 86 12.926 -0.493 9.035 1.00 0.00 O ATOM 813 CB PHE A 86 14.402 1.714 10.135 1.00 0.00 C ATOM 814 CG PHE A 86 14.292 2.673 8.984 1.00 0.00 C ATOM 815 CD1 PHE A 86 13.517 3.818 9.095 1.00 0.00 C ATOM 816 CD2 PHE A 86 14.961 2.433 7.794 1.00 0.00 C ATOM 817 CE1 PHE A 86 13.412 4.704 8.041 1.00 0.00 C ATOM 818 CE2 PHE A 86 14.859 3.317 6.737 1.00 0.00 C ATOM 819 CZ PHE A 86 14.084 4.455 6.861 1.00 0.00 C ATOM 820 H PHE A 86 13.958 -0.226 11.960 1.00 0.00 H ATOM 821 N LYS A 87 11.028 0.585 9.555 1.00 0.00 N ATOM 822 CA LYS A 87 10.197 -0.278 8.740 1.00 0.00 C ATOM 823 C LYS A 87 10.023 0.285 7.350 1.00 0.00 C ATOM 824 O LYS A 87 9.380 1.310 7.152 1.00 0.00 O ATOM 825 CB LYS A 87 8.842 -0.460 9.392 1.00 0.00 C ATOM 826 CG LYS A 87 8.020 -1.607 8.825 1.00 0.00 C ATOM 827 CD LYS A 87 6.736 -1.804 9.617 1.00 0.00 C ATOM 828 CE LYS A 87 5.770 -0.641 9.431 1.00 0.00 C ATOM 829 NZ LYS A 87 5.153 -0.643 8.074 1.00 0.00 N ATOM 830 HZ1 LYS A 87 5.900 -0.565 7.355 1.00 0.00 H ATOM 831 HZ2 LYS A 87 4.627 -1.529 7.935 1.00 0.00 H ATOM 832 HZ3 LYS A 87 4.503 0.164 7.989 1.00 0.00 H ATOM 833 H LYS A 87 10.593 1.383 10.060 1.00 0.00 H ATOM 834 N VAL A 88 10.578 -0.409 6.395 1.00 0.00 N ATOM 835 CA VAL A 88 10.489 0.003 5.004 1.00 0.00 C ATOM 836 C VAL A 88 9.421 -0.816 4.297 1.00 0.00 C ATOM 837 O VAL A 88 9.625 -1.984 3.957 1.00 0.00 O ATOM 838 CB VAL A 88 11.846 -0.108 4.269 1.00 0.00 C ATOM 839 CG1 VAL A 88 12.791 0.984 4.745 1.00 0.00 C ATOM 840 CG2 VAL A 88 12.479 -1.479 4.476 1.00 0.00 C ATOM 841 H VAL A 88 11.097 -1.278 6.635 1.00 0.00 H ATOM 842 N GLY A 89 8.260 -0.208 4.108 1.00 0.00 N ATOM 843 CA GLY A 89 7.123 -0.941 3.604 1.00 0.00 C ATOM 844 C GLY A 89 6.639 -1.961 4.614 1.00 0.00 C ATOM 845 O GLY A 89 5.878 -1.631 5.525 1.00 0.00 O ATOM 846 H GLY A 89 8.167 0.805 4.324 1.00 0.00 H ATOM 847 N ASN A 90 7.114 -3.192 4.477 1.00 0.00 N ATOM 848 CA ASN A 90 6.750 -4.263 5.400 1.00 0.00 C ATOM 849 C ASN A 90 7.981 -4.812 6.110 1.00 0.00 C ATOM 850 O ASN A 90 7.868 -5.506 7.119 1.00 0.00 O ATOM 851 CB ASN A 90 6.042 -5.407 4.664 1.00 0.00 C ATOM 852 CG ASN A 90 4.663 -5.039 4.139 1.00 0.00 C ATOM 853 OD1 ASN A 90 4.236 -5.542 3.098 1.00 0.00 O ATOM 854 ND2 ASN A 90 3.949 -4.185 4.854 1.00 0.00 N ATOM 855 HD22 ASN A 90 4.343 -3.781 5.728 1.00 0.00 H ATOM 856 HD21 ASN A 90 2.993 -3.918 4.543 1.00 0.00 H ATOM 857 H ASN A 90 7.763 -3.400 3.691 1.00 0.00 H ATOM 858 N GLU A 91 9.158 -4.484 5.593 1.00 0.00 N ATOM 859 CA GLU A 91 10.396 -5.049 6.115 1.00 0.00 C ATOM 860 C GLU A 91 10.870 -4.262 7.328 1.00 0.00 C ATOM 861 O GLU A 91 11.041 -3.044 7.269 1.00 0.00 O ATOM 862 CB GLU A 91 11.479 -5.070 5.037 1.00 0.00 C ATOM 863 CG GLU A 91 11.045 -5.783 3.763 1.00 0.00 C ATOM 864 CD GLU A 91 12.135 -5.862 2.712 1.00 0.00 C ATOM 865 OE1 GLU A 91 13.311 -5.590 3.033 1.00 0.00 O ATOM 866 OE2 GLU A 91 11.820 -6.229 1.559 1.00 0.00 O ATOM 867 H GLU A 91 9.198 -3.811 4.801 1.00 0.00 H ATOM 868 N THR A 92 11.079 -4.967 8.424 1.00 0.00 N ATOM 869 CA THR A 92 11.427 -4.335 9.680 1.00 0.00 C ATOM 870 C THR A 92 12.924 -4.453 9.951 1.00 0.00 C ATOM 871 O THR A 92 13.433 -5.531 10.259 1.00 0.00 O ATOM 872 CB THR A 92 10.638 -4.960 10.845 1.00 0.00 C ATOM 873 OG1 THR A 92 9.239 -4.997 10.522 1.00 0.00 O ATOM 874 CG2 THR A 92 10.840 -4.163 12.124 1.00 0.00 C ATOM 875 HG1 THR A 92 8.738 -5.400 11.275 1.00 0.00 H ATOM 876 H THR A 92 10.992 -6.003 8.385 1.00 0.00 H ATOM 877 N ARG A 93 13.624 -3.342 9.811 1.00 0.00 N ATOM 878 CA ARG A 93 15.053 -3.296 10.075 1.00 0.00 C ATOM 879 C ARG A 93 15.294 -2.772 11.487 1.00 0.00 C ATOM 880 O ARG A 93 14.927 -1.643 11.803 1.00 0.00 O ATOM 881 CB ARG A 93 15.735 -2.404 9.034 1.00 0.00 C ATOM 882 CG ARG A 93 15.652 -2.962 7.622 1.00 0.00 C ATOM 883 CD ARG A 93 15.732 -1.869 6.567 1.00 0.00 C ATOM 884 NE ARG A 93 16.984 -1.114 6.619 1.00 0.00 N ATOM 885 CZ ARG A 93 17.460 -0.395 5.602 1.00 0.00 C ATOM 886 NH1 ARG A 93 16.813 -0.364 4.440 1.00 0.00 N ATOM 887 NH2 ARG A 93 18.586 0.290 5.745 1.00 0.00 N ATOM 888 HE ARG A 93 17.535 -1.140 7.501 1.00 0.00 H ATOM 889 HH12 ARG A 93 17.189 0.199 3.650 1.00 0.00 H ATOM 890 HH11 ARG A 93 15.931 -0.902 4.321 1.00 0.00 H ATOM 891 HH22 ARG A 93 18.958 0.851 4.952 1.00 0.00 H ATOM 892 HH21 ARG A 93 19.098 0.266 6.650 1.00 0.00 H ATOM 893 H ARG A 93 13.139 -2.475 9.503 1.00 0.00 H ATOM 894 N LYS A 94 15.886 -3.600 12.341 1.00 0.00 N ATOM 895 CA LYS A 94 16.086 -3.231 13.738 1.00 0.00 C ATOM 896 C LYS A 94 17.487 -2.678 13.960 1.00 0.00 C ATOM 897 O LYS A 94 18.481 -3.321 13.629 1.00 0.00 O ATOM 898 CB LYS A 94 15.860 -4.422 14.685 1.00 0.00 C ATOM 899 CG LYS A 94 15.195 -5.639 14.050 1.00 0.00 C ATOM 900 CD LYS A 94 16.201 -6.518 13.317 1.00 0.00 C ATOM 901 CE LYS A 94 17.263 -7.071 14.258 1.00 0.00 C ATOM 902 NZ LYS A 94 16.697 -7.996 15.278 1.00 0.00 N ATOM 903 HZ1 LYS A 94 15.993 -7.489 15.852 1.00 0.00 H ATOM 904 HZ2 LYS A 94 16.242 -8.800 14.801 1.00 0.00 H ATOM 905 HZ3 LYS A 94 17.462 -8.343 15.892 1.00 0.00 H ATOM 906 H LYS A 94 16.213 -4.529 12.007 1.00 0.00 H ATOM 907 N TYR A 95 17.550 -1.487 14.522 1.00 0.00 N ATOM 908 CA TYR A 95 18.813 -0.833 14.818 1.00 0.00 C ATOM 909 C TYR A 95 18.908 -0.545 16.306 1.00 0.00 C ATOM 910 O TYR A 95 17.896 -0.326 16.965 1.00 0.00 O ATOM 911 CB TYR A 95 18.931 0.469 14.022 1.00 0.00 C ATOM 912 CG TYR A 95 18.936 0.258 12.527 1.00 0.00 C ATOM 913 CD1 TYR A 95 17.759 0.016 11.835 1.00 0.00 C ATOM 914 CD2 TYR A 95 20.122 0.277 11.815 1.00 0.00 C ATOM 915 CE1 TYR A 95 17.766 -0.207 10.473 1.00 0.00 C ATOM 916 CE2 TYR A 95 20.141 0.064 10.452 1.00 0.00 C ATOM 917 CZ TYR A 95 18.963 -0.181 9.786 1.00 0.00 C ATOM 918 OH TYR A 95 18.989 -0.434 8.435 1.00 0.00 O ATOM 919 HH TYR A 95 19.540 -1.238 8.262 1.00 0.00 H ATOM 920 H TYR A 95 16.664 -0.998 14.762 1.00 0.00 H ATOM 921 N LYS A 96 20.113 -0.563 16.839 1.00 0.00 N ATOM 922 CA LYS A 96 20.314 -0.270 18.244 1.00 0.00 C ATOM 923 C LYS A 96 21.016 1.071 18.381 1.00 0.00 C ATOM 924 O LYS A 96 21.929 1.379 17.613 1.00 0.00 O ATOM 925 CB LYS A 96 21.104 -1.398 18.920 1.00 0.00 C ATOM 926 CG LYS A 96 21.337 -1.195 20.413 1.00 0.00 C ATOM 927 CD LYS A 96 21.055 -2.470 21.196 1.00 0.00 C ATOM 928 CE LYS A 96 21.858 -3.651 20.671 1.00 0.00 C ATOM 929 NZ LYS A 96 21.577 -4.896 21.434 1.00 0.00 N ATOM 930 HZ1 LYS A 96 21.825 -4.752 22.434 1.00 0.00 H ATOM 931 HZ2 LYS A 96 20.566 -5.128 21.356 1.00 0.00 H ATOM 932 HZ3 LYS A 96 22.144 -5.676 21.044 1.00 0.00 H ATOM 933 H LYS A 96 20.933 -0.791 16.242 1.00 0.00 H ATOM 934 N MET A 97 20.574 1.864 19.348 1.00 0.00 N ATOM 935 CA MET A 97 21.051 3.237 19.522 1.00 0.00 C ATOM 936 C MET A 97 22.433 3.257 20.167 1.00 0.00 C ATOM 937 O MET A 97 22.648 3.929 21.170 1.00 0.00 O ATOM 938 CB MET A 97 20.063 4.014 20.401 1.00 0.00 C ATOM 939 CG MET A 97 18.616 3.869 19.962 1.00 0.00 C ATOM 940 SD MET A 97 17.452 4.791 20.987 1.00 0.00 S ATOM 941 CE MET A 97 17.904 6.482 20.605 1.00 0.00 C ATOM 942 H MET A 97 19.860 1.496 20.009 1.00 0.00 H ATOM 943 N THR A 98 23.366 2.544 19.557 1.00 0.00 N ATOM 944 CA THR A 98 24.676 2.296 20.140 1.00 0.00 C ATOM 945 C THR A 98 25.453 3.581 20.416 1.00 0.00 C ATOM 946 O THR A 98 26.178 3.676 21.410 1.00 0.00 O ATOM 947 CB THR A 98 25.508 1.394 19.211 1.00 0.00 C ATOM 948 OG1 THR A 98 25.619 2.004 17.917 1.00 0.00 O ATOM 949 CG2 THR A 98 24.864 0.023 19.065 1.00 0.00 C ATOM 950 HG1 THR A 98 26.155 1.420 17.323 1.00 0.00 H ATOM 951 H THR A 98 23.154 2.144 18.621 1.00 0.00 H ATOM 952 N SER A 99 25.308 4.565 19.542 1.00 0.00 N ATOM 953 CA SER A 99 26.051 5.804 19.681 1.00 0.00 C ATOM 954 C SER A 99 25.110 6.984 19.915 1.00 0.00 C ATOM 955 O SER A 99 24.466 7.478 18.985 1.00 0.00 O ATOM 956 CB SER A 99 26.903 6.036 18.434 1.00 0.00 C ATOM 957 OG SER A 99 27.615 4.857 18.084 1.00 0.00 O ATOM 958 HG SER A 99 26.972 4.127 17.901 1.00 0.00 H ATOM 959 H SER A 99 24.652 4.448 18.744 1.00 0.00 H ATOM 960 N ILE A 100 25.018 7.414 21.167 1.00 0.00 N ATOM 961 CA ILE A 100 24.184 8.548 21.534 1.00 0.00 C ATOM 962 C ILE A 100 24.993 9.582 22.307 1.00 0.00 C ATOM 963 O ILE A 100 25.633 9.258 23.311 1.00 0.00 O ATOM 964 CB ILE A 100 22.980 8.121 22.407 1.00 0.00 C ATOM 965 CG1 ILE A 100 22.045 7.188 21.637 1.00 0.00 C ATOM 966 CG2 ILE A 100 22.215 9.344 22.900 1.00 0.00 C ATOM 967 CD1 ILE A 100 20.867 6.716 22.461 1.00 0.00 C ATOM 968 H ILE A 100 25.559 6.925 21.909 1.00 0.00 H ATOM 969 N ARG A 101 24.978 10.815 21.825 1.00 0.00 N ATOM 970 CA ARG A 101 25.528 11.936 22.565 1.00 0.00 C ATOM 971 C ARG A 101 25.064 13.239 21.946 1.00 0.00 C ATOM 972 O ARG A 101 24.908 13.346 20.733 1.00 0.00 O ATOM 973 CB ARG A 101 27.059 11.891 22.617 1.00 0.00 C ATOM 974 CG ARG A 101 27.677 13.069 23.359 1.00 0.00 C ATOM 975 CD ARG A 101 29.168 12.882 23.600 1.00 0.00 C ATOM 976 NE ARG A 101 29.921 12.712 22.358 1.00 0.00 N ATOM 977 CZ ARG A 101 30.937 13.491 21.986 1.00 0.00 C ATOM 978 NH1 ARG A 101 31.293 14.536 22.722 1.00 0.00 N ATOM 979 NH2 ARG A 101 31.593 13.225 20.864 1.00 0.00 N ATOM 980 HE ARG A 101 29.647 11.934 21.725 1.00 0.00 H ATOM 981 HH12 ARG A 101 32.087 15.137 22.422 1.00 0.00 H ATOM 982 HH11 ARG A 101 30.778 14.754 23.599 1.00 0.00 H ATOM 983 HH22 ARG A 101 32.386 13.830 20.570 1.00 0.00 H ATOM 984 HH21 ARG A 101 31.314 12.412 20.279 1.00 0.00 H ATOM 985 H ARG A 101 24.560 10.985 20.888 1.00 0.00 H ATOM 986 N ASP A 102 24.830 14.214 22.786 1.00 0.00 N ATOM 987 CA ASP A 102 24.411 15.524 22.329 1.00 0.00 C ATOM 988 C ASP A 102 25.593 16.476 22.354 1.00 0.00 C ATOM 989 O ASP A 102 26.102 16.835 23.418 1.00 0.00 O ATOM 990 CB ASP A 102 23.239 16.055 23.167 1.00 0.00 C ATOM 991 CG ASP A 102 23.454 15.938 24.664 1.00 0.00 C ATOM 992 OD1 ASP A 102 23.207 14.846 25.216 1.00 0.00 O ATOM 993 OD2 ASP A 102 23.842 16.938 25.298 1.00 0.00 O ATOM 994 H ASP A 102 24.947 14.045 23.805 1.00 0.00 H ATOM 995 N VAL A 103 26.049 16.861 21.171 1.00 0.00 N ATOM 996 CA VAL A 103 27.267 17.644 21.043 1.00 0.00 C ATOM 997 C VAL A 103 26.978 19.132 20.877 1.00 0.00 C ATOM 998 O VAL A 103 25.823 19.556 20.769 1.00 0.00 O ATOM 999 CB VAL A 103 28.138 17.154 19.865 1.00 0.00 C ATOM 1000 CG1 VAL A 103 28.618 15.732 20.104 1.00 0.00 C ATOM 1001 CG2 VAL A 103 27.382 17.246 18.551 1.00 0.00 C ATOM 1002 H VAL A 103 25.523 16.597 20.314 1.00 0.00 H ATOM 1003 N LYS A 104 28.048 19.909 20.843 1.00 0.00 N ATOM 1004 CA LYS A 104 27.962 21.359 20.824 1.00 0.00 C ATOM 1005 C LYS A 104 27.782 21.876 19.397 1.00 0.00 C ATOM 1006 O LYS A 104 28.146 21.201 18.431 1.00 0.00 O ATOM 1007 CB LYS A 104 29.228 21.938 21.467 1.00 0.00 C ATOM 1008 CG LYS A 104 29.479 21.387 22.864 1.00 0.00 C ATOM 1009 CD LYS A 104 30.858 21.743 23.390 1.00 0.00 C ATOM 1010 CE LYS A 104 30.996 23.230 23.666 1.00 0.00 C ATOM 1011 NZ LYS A 104 32.257 23.533 24.390 1.00 0.00 N ATOM 1012 HZ1 LYS A 104 32.264 23.026 25.298 1.00 0.00 H ATOM 1013 HZ2 LYS A 104 33.068 23.227 23.815 1.00 0.00 H ATOM 1014 HZ3 LYS A 104 32.319 24.557 24.562 1.00 0.00 H ATOM 1015 H LYS A 104 28.988 19.464 20.829 1.00 0.00 H ATOM 1016 N PRO A 105 27.197 23.074 19.247 1.00 0.00 N ATOM 1017 CA PRO A 105 26.957 23.678 17.933 1.00 0.00 C ATOM 1018 C PRO A 105 28.237 24.200 17.280 1.00 0.00 C ATOM 1019 O PRO A 105 29.338 24.008 17.805 1.00 0.00 O ATOM 1020 CB PRO A 105 26.011 24.836 18.245 1.00 0.00 C ATOM 1021 CG PRO A 105 26.326 25.212 19.651 1.00 0.00 C ATOM 1022 CD PRO A 105 26.716 23.935 20.345 1.00 0.00 C ATOM 1023 N THR A 106 28.074 24.855 16.129 1.00 0.00 N ATOM 1024 CA THR A 106 29.187 25.442 15.381 1.00 0.00 C ATOM 1025 C THR A 106 30.015 24.368 14.673 1.00 0.00 C ATOM 1026 O THR A 106 30.125 24.366 13.446 1.00 0.00 O ATOM 1027 CB THR A 106 30.101 26.297 16.289 1.00 0.00 C ATOM 1028 OG1 THR A 106 29.311 27.243 17.024 1.00 0.00 O ATOM 1029 CG2 THR A 106 31.150 27.039 15.470 1.00 0.00 C ATOM 1030 HG1 THR A 106 29.903 27.786 17.603 1.00 0.00 H ATOM 1031 H THR A 106 27.112 24.953 15.746 1.00 0.00 H ATOM 1032 N ASP A 107 30.569 23.445 15.441 1.00 0.00 N ATOM 1033 CA ASP A 107 31.412 22.399 14.885 1.00 0.00 C ATOM 1034 C ASP A 107 30.580 21.283 14.284 1.00 0.00 C ATOM 1035 O ASP A 107 29.999 20.466 15.000 1.00 0.00 O ATOM 1036 CB ASP A 107 32.346 21.827 15.950 1.00 0.00 C ATOM 1037 CG ASP A 107 33.540 22.718 16.205 1.00 0.00 C ATOM 1038 OD1 ASP A 107 34.554 22.574 15.490 1.00 0.00 O ATOM 1039 OD2 ASP A 107 33.475 23.565 17.118 1.00 0.00 O ATOM 1040 H ASP A 107 30.398 23.468 16.467 1.00 0.00 H ATOM 1041 N VAL A 108 30.503 21.263 12.963 1.00 0.00 N ATOM 1042 CA VAL A 108 29.845 20.175 12.262 1.00 0.00 C ATOM 1043 C VAL A 108 30.825 19.026 12.077 1.00 0.00 C ATOM 1044 O VAL A 108 30.436 17.871 11.914 1.00 0.00 O ATOM 1045 CB VAL A 108 29.291 20.622 10.889 1.00 0.00 C ATOM 1046 CG1 VAL A 108 28.219 21.686 11.069 1.00 0.00 C ATOM 1047 CG2 VAL A 108 30.407 21.134 9.986 1.00 0.00 C ATOM 1048 H VAL A 108 30.922 22.042 12.416 1.00 0.00 H ATOM 1049 N GLU A 109 32.108 19.359 12.149 1.00 0.00 N ATOM 1050 CA GLU A 109 33.177 18.384 11.990 1.00 0.00 C ATOM 1051 C GLU A 109 33.574 17.790 13.337 1.00 0.00 C ATOM 1052 O GLU A 109 34.712 17.353 13.527 1.00 0.00 O ATOM 1053 CB GLU A 109 34.381 19.041 11.315 1.00 0.00 C ATOM 1054 CG GLU A 109 34.899 20.268 12.047 1.00 0.00 C ATOM 1055 CD GLU A 109 35.881 21.063 11.218 1.00 0.00 C ATOM 1056 OE1 GLU A 109 37.094 20.784 11.295 1.00 0.00 O ATOM 1057 OE2 GLU A 109 35.437 21.968 10.484 1.00 0.00 O ATOM 1058 H GLU A 109 32.359 20.353 12.325 1.00 0.00 H ATOM 1059 N VAL A 110 32.621 17.767 14.263 1.00 0.00 N ATOM 1060 CA VAL A 110 32.830 17.166 15.575 1.00 0.00 C ATOM 1061 C VAL A 110 33.133 15.673 15.431 1.00 0.00 C ATOM 1062 O VAL A 110 33.841 15.084 16.247 1.00 0.00 O ATOM 1063 CB VAL A 110 31.599 17.384 16.492 1.00 0.00 C ATOM 1064 CG1 VAL A 110 30.351 16.740 15.903 1.00 0.00 C ATOM 1065 CG2 VAL A 110 31.866 16.858 17.896 1.00 0.00 C ATOM 1066 H VAL A 110 31.697 18.191 14.045 1.00 0.00 H ATOM 1067 N LEU A 111 32.606 15.078 14.372 1.00 0.00 N ATOM 1068 CA LEU A 111 32.885 13.689 14.047 1.00 0.00 C ATOM 1069 C LEU A 111 33.328 13.590 12.597 1.00 0.00 C ATOM 1070 O LEU A 111 32.805 14.302 11.737 1.00 0.00 O ATOM 1071 CB LEU A 111 31.647 12.818 14.277 1.00 0.00 C ATOM 1072 CG LEU A 111 31.154 12.740 15.724 1.00 0.00 C ATOM 1073 CD1 LEU A 111 29.861 11.942 15.800 1.00 0.00 C ATOM 1074 CD2 LEU A 111 32.217 12.119 16.620 1.00 0.00 C ATOM 1075 H LEU A 111 31.972 15.622 13.753 1.00 0.00 H ATOM 1076 N ASP A 112 34.298 12.730 12.333 1.00 0.00 N ATOM 1077 CA ASP A 112 34.805 12.542 10.980 1.00 0.00 C ATOM 1078 C ASP A 112 33.956 11.524 10.231 1.00 0.00 C ATOM 1079 O ASP A 112 33.813 10.376 10.657 1.00 0.00 O ATOM 1080 CB ASP A 112 36.283 12.116 11.002 1.00 0.00 C ATOM 1081 CG ASP A 112 36.572 10.973 11.961 1.00 0.00 C ATOM 1082 OD1 ASP A 112 36.700 11.237 13.178 1.00 0.00 O ATOM 1083 OD2 ASP A 112 36.695 9.813 11.509 1.00 0.00 O ATOM 1084 H ASP A 112 34.709 12.174 13.110 1.00 0.00 H ATOM 1085 N GLU A 113 33.367 11.962 9.128 1.00 0.00 N ATOM 1086 CA GLU A 113 32.507 11.100 8.336 1.00 0.00 C ATOM 1087 C GLU A 113 33.257 10.545 7.129 1.00 0.00 C ATOM 1088 O GLU A 113 34.066 11.233 6.505 1.00 0.00 O ATOM 1089 CB GLU A 113 31.225 11.829 7.895 1.00 0.00 C ATOM 1090 CG GLU A 113 31.431 12.982 6.915 1.00 0.00 C ATOM 1091 CD GLU A 113 32.151 14.173 7.516 1.00 0.00 C ATOM 1092 OE1 GLU A 113 31.780 14.606 8.623 1.00 0.00 O ATOM 1093 OE2 GLU A 113 33.099 14.680 6.883 1.00 0.00 O ATOM 1094 H GLU A 113 33.524 12.944 8.823 1.00 0.00 H ATOM 1095 N GLN A 114 32.984 9.289 6.825 1.00 0.00 N ATOM 1096 CA GLN A 114 33.644 8.583 5.740 1.00 0.00 C ATOM 1097 C GLN A 114 32.684 7.560 5.143 1.00 0.00 C ATOM 1098 O GLN A 114 31.587 7.363 5.665 1.00 0.00 O ATOM 1099 CB GLN A 114 34.925 7.892 6.247 1.00 0.00 C ATOM 1100 CG GLN A 114 34.698 6.775 7.266 1.00 0.00 C ATOM 1101 CD GLN A 114 34.033 7.250 8.549 1.00 0.00 C ATOM 1102 OE1 GLN A 114 32.808 7.217 8.674 1.00 0.00 O ATOM 1103 NE2 GLN A 114 34.829 7.714 9.499 1.00 0.00 N ATOM 1104 HE22 GLN A 114 35.859 7.725 9.355 1.00 0.00 H ATOM 1105 HE21 GLN A 114 34.425 8.068 10.390 1.00 0.00 H ATOM 1106 H GLN A 114 32.267 8.785 7.385 1.00 0.00 H ATOM 1107 N LYS A 115 33.076 6.914 4.054 1.00 0.00 N ATOM 1108 CA LYS A 115 32.223 5.912 3.434 1.00 0.00 C ATOM 1109 C LYS A 115 32.498 4.515 3.985 1.00 0.00 C ATOM 1110 O LYS A 115 31.818 3.552 3.632 1.00 0.00 O ATOM 1111 CB LYS A 115 32.375 5.945 1.915 1.00 0.00 C ATOM 1112 CG LYS A 115 33.805 5.850 1.411 1.00 0.00 C ATOM 1113 CD LYS A 115 33.832 5.788 -0.106 1.00 0.00 C ATOM 1114 CE LYS A 115 35.183 6.189 -0.666 1.00 0.00 C ATOM 1115 NZ LYS A 115 35.218 6.090 -2.148 1.00 0.00 N ATOM 1116 HZ1 LYS A 115 35.024 5.109 -2.433 1.00 0.00 H ATOM 1117 HZ2 LYS A 115 34.496 6.719 -2.553 1.00 0.00 H ATOM 1118 HZ3 LYS A 115 36.158 6.373 -2.491 1.00 0.00 H ATOM 1119 H LYS A 115 34.005 7.126 3.638 1.00 0.00 H ATOM 1120 N GLY A 116 33.489 4.416 4.860 1.00 0.00 N ATOM 1121 CA GLY A 116 33.761 3.165 5.543 1.00 0.00 C ATOM 1122 C GLY A 116 32.925 3.032 6.800 1.00 0.00 C ATOM 1123 O GLY A 116 33.400 3.310 7.902 1.00 0.00 O ATOM 1124 H GLY A 116 34.081 5.248 5.060 1.00 0.00 H ATOM 1125 N LYS A 117 31.671 2.634 6.631 1.00 0.00 N ATOM 1126 CA LYS A 117 30.740 2.528 7.748 1.00 0.00 C ATOM 1127 C LYS A 117 30.052 1.167 7.760 1.00 0.00 C ATOM 1128 O LYS A 117 30.302 0.320 6.899 1.00 0.00 O ATOM 1129 CB LYS A 117 29.664 3.611 7.658 1.00 0.00 C ATOM 1130 CG LYS A 117 30.203 5.024 7.544 1.00 0.00 C ATOM 1131 CD LYS A 117 29.377 5.977 8.381 1.00 0.00 C ATOM 1132 CE LYS A 117 29.537 7.421 7.938 1.00 0.00 C ATOM 1133 NZ LYS A 117 28.907 7.663 6.610 1.00 0.00 N ATOM 1134 HZ1 LYS A 117 29.354 7.050 5.899 1.00 0.00 H ATOM 1135 HZ2 LYS A 117 27.891 7.448 6.665 1.00 0.00 H ATOM 1136 HZ3 LYS A 117 29.037 8.659 6.342 1.00 0.00 H ATOM 1137 H LYS A 117 31.343 2.391 5.675 1.00 0.00 H ATOM 1138 N ASP A 118 29.188 0.968 8.744 1.00 0.00 N ATOM 1139 CA ASP A 118 28.281 -0.163 8.765 1.00 0.00 C ATOM 1140 C ASP A 118 26.889 0.340 8.447 1.00 0.00 C ATOM 1141 O ASP A 118 26.716 1.508 8.096 1.00 0.00 O ATOM 1142 CB ASP A 118 28.271 -0.848 10.137 1.00 0.00 C ATOM 1143 CG ASP A 118 29.375 -1.871 10.307 1.00 0.00 C ATOM 1144 OD1 ASP A 118 30.508 -1.481 10.653 1.00 0.00 O ATOM 1145 OD2 ASP A 118 29.107 -3.079 10.110 1.00 0.00 O ATOM 1146 H ASP A 118 29.159 1.648 9.530 1.00 0.00 H ATOM 1147 N LYS A 119 25.905 -0.524 8.565 1.00 0.00 N ATOM 1148 CA LYS A 119 24.523 -0.103 8.424 1.00 0.00 C ATOM 1149 C LYS A 119 24.125 0.726 9.637 1.00 0.00 C ATOM 1150 O LYS A 119 23.865 0.181 10.710 1.00 0.00 O ATOM 1151 CB LYS A 119 23.599 -1.306 8.316 1.00 0.00 C ATOM 1152 CG LYS A 119 23.922 -2.237 7.168 1.00 0.00 C ATOM 1153 CD LYS A 119 23.623 -3.665 7.568 1.00 0.00 C ATOM 1154 CE LYS A 119 23.854 -4.643 6.438 1.00 0.00 C ATOM 1155 NZ LYS A 119 23.607 -6.038 6.880 1.00 0.00 N ATOM 1156 HZ1 LYS A 119 24.253 -6.272 7.661 1.00 0.00 H ATOM 1157 HZ2 LYS A 119 22.623 -6.129 7.203 1.00 0.00 H ATOM 1158 HZ3 LYS A 119 23.773 -6.687 6.084 1.00 0.00 H ATOM 1159 H LYS A 119 26.120 -1.522 8.762 1.00 0.00 H ATOM 1160 N GLN A 120 24.116 2.034 9.479 1.00 0.00 N ATOM 1161 CA GLN A 120 23.793 2.924 10.573 1.00 0.00 C ATOM 1162 C GLN A 120 22.838 4.017 10.126 1.00 0.00 C ATOM 1163 O GLN A 120 22.971 4.571 9.031 1.00 0.00 O ATOM 1164 CB GLN A 120 25.066 3.551 11.144 1.00 0.00 C ATOM 1165 CG GLN A 120 25.909 4.272 10.105 1.00 0.00 C ATOM 1166 CD GLN A 120 27.066 5.030 10.718 1.00 0.00 C ATOM 1167 OE1 GLN A 120 28.148 4.479 10.909 1.00 0.00 O ATOM 1168 NE2 GLN A 120 26.854 6.303 11.019 1.00 0.00 N ATOM 1169 HE22 GLN A 120 25.923 6.731 10.841 1.00 0.00 H ATOM 1170 HE21 GLN A 120 27.619 6.874 11.433 1.00 0.00 H ATOM 1171 H GLN A 120 24.346 2.435 8.548 1.00 0.00 H ATOM 1172 N LEU A 121 21.863 4.306 10.967 1.00 0.00 N ATOM 1173 CA LEU A 121 20.995 5.443 10.744 1.00 0.00 C ATOM 1174 C LEU A 121 21.536 6.618 11.543 1.00 0.00 C ATOM 1175 O LEU A 121 21.573 6.581 12.775 1.00 0.00 O ATOM 1176 CB LEU A 121 19.549 5.148 11.157 1.00 0.00 C ATOM 1177 CG LEU A 121 19.015 3.755 10.807 1.00 0.00 C ATOM 1178 CD1 LEU A 121 17.591 3.598 11.316 1.00 0.00 C ATOM 1179 CD2 LEU A 121 19.068 3.513 9.307 1.00 0.00 C ATOM 1180 H LEU A 121 21.716 3.707 11.804 1.00 0.00 H ATOM 1181 N THR A 122 21.978 7.638 10.839 1.00 0.00 N ATOM 1182 CA THR A 122 22.567 8.803 11.463 1.00 0.00 C ATOM 1183 C THR A 122 21.519 9.901 11.608 1.00 0.00 C ATOM 1184 O THR A 122 21.258 10.649 10.664 1.00 0.00 O ATOM 1185 CB THR A 122 23.753 9.320 10.626 1.00 0.00 C ATOM 1186 OG1 THR A 122 24.625 8.230 10.290 1.00 0.00 O ATOM 1187 CG2 THR A 122 24.537 10.385 11.377 1.00 0.00 C ATOM 1188 HG1 THR A 122 25.384 8.570 9.753 1.00 0.00 H ATOM 1189 H THR A 122 21.902 7.606 9.802 1.00 0.00 H ATOM 1190 N LEU A 123 20.891 9.967 12.773 1.00 0.00 N ATOM 1191 CA LEU A 123 19.840 10.939 13.014 1.00 0.00 C ATOM 1192 C LEU A 123 20.384 12.204 13.660 1.00 0.00 C ATOM 1193 O LEU A 123 21.047 12.159 14.697 1.00 0.00 O ATOM 1194 CB LEU A 123 18.724 10.345 13.875 1.00 0.00 C ATOM 1195 CG LEU A 123 17.872 9.277 13.187 1.00 0.00 C ATOM 1196 CD1 LEU A 123 18.579 7.931 13.176 1.00 0.00 C ATOM 1197 CD2 LEU A 123 16.515 9.166 13.858 1.00 0.00 C ATOM 1198 H LEU A 123 21.157 9.308 13.532 1.00 0.00 H ATOM 1199 N ILE A 124 20.091 13.325 13.025 1.00 0.00 N ATOM 1200 CA ILE A 124 20.506 14.627 13.509 1.00 0.00 C ATOM 1201 C ILE A 124 19.324 15.332 14.167 1.00 0.00 C ATOM 1202 O ILE A 124 18.526 15.989 13.495 1.00 0.00 O ATOM 1203 CB ILE A 124 21.038 15.507 12.356 1.00 0.00 C ATOM 1204 CG1 ILE A 124 22.008 14.712 11.477 1.00 0.00 C ATOM 1205 CG2 ILE A 124 21.718 16.752 12.911 1.00 0.00 C ATOM 1206 CD1 ILE A 124 22.378 15.422 10.194 1.00 0.00 C ATOM 1207 H ILE A 124 19.541 13.271 12.144 1.00 0.00 H ATOM 1208 N THR A 125 19.179 15.154 15.468 1.00 0.00 N ATOM 1209 CA THR A 125 18.102 15.800 16.193 1.00 0.00 C ATOM 1210 C THR A 125 18.611 17.024 16.944 1.00 0.00 C ATOM 1211 O THR A 125 19.199 16.914 18.021 1.00 0.00 O ATOM 1212 CB THR A 125 17.397 14.828 17.165 1.00 0.00 C ATOM 1213 OG1 THR A 125 18.362 14.052 17.889 1.00 0.00 O ATOM 1214 CG2 THR A 125 16.456 13.896 16.414 1.00 0.00 C ATOM 1215 HG1 THR A 125 18.948 14.658 18.408 1.00 0.00 H ATOM 1216 H THR A 125 19.847 14.542 15.979 1.00 0.00 H ATOM 1217 N CYS A 126 18.420 18.189 16.346 1.00 0.00 N ATOM 1218 CA CYS A 126 18.836 19.441 16.959 1.00 0.00 C ATOM 1219 C CYS A 126 18.022 19.687 18.226 1.00 0.00 C ATOM 1220 O CYS A 126 16.791 19.743 18.174 1.00 0.00 O ATOM 1221 CB CYS A 126 18.639 20.588 15.969 1.00 0.00 C ATOM 1222 SG CYS A 126 18.702 20.053 14.228 1.00 0.00 S ATOM 1223 H CYS A 126 17.960 18.210 15.413 1.00 0.00 H ATOM 1224 N ASP A 127 18.710 19.845 19.353 1.00 0.00 N ATOM 1225 CA ASP A 127 18.049 19.965 20.655 1.00 0.00 C ATOM 1226 C ASP A 127 17.707 21.427 20.942 1.00 0.00 C ATOM 1227 O ASP A 127 17.570 21.848 22.089 1.00 0.00 O ATOM 1228 CB ASP A 127 18.940 19.383 21.759 1.00 0.00 C ATOM 1229 CG ASP A 127 18.200 19.186 23.071 1.00 0.00 C ATOM 1230 OD1 ASP A 127 17.172 18.478 23.073 1.00 0.00 O ATOM 1231 OD2 ASP A 127 18.664 19.715 24.108 1.00 0.00 O ATOM 1232 H ASP A 127 19.748 19.885 19.309 1.00 0.00 H ATOM 1233 N ASP A 128 17.563 22.186 19.871 1.00 0.00 N ATOM 1234 CA ASP A 128 17.142 23.575 19.937 1.00 0.00 C ATOM 1235 C ASP A 128 16.827 24.039 18.523 1.00 0.00 C ATOM 1236 O ASP A 128 17.263 23.401 17.560 1.00 0.00 O ATOM 1237 CB ASP A 128 18.233 24.442 20.574 1.00 0.00 C ATOM 1238 CG ASP A 128 17.807 25.886 20.758 1.00 0.00 C ATOM 1239 OD1 ASP A 128 16.591 26.144 20.925 1.00 0.00 O ATOM 1240 OD2 ASP A 128 18.688 26.767 20.734 1.00 0.00 O ATOM 1241 H ASP A 128 17.760 21.771 18.938 1.00 0.00 H ATOM 1242 N TYR A 129 16.060 25.112 18.386 1.00 0.00 N ATOM 1243 CA TYR A 129 15.661 25.589 17.068 1.00 0.00 C ATOM 1244 C TYR A 129 14.956 26.937 17.146 1.00 0.00 C ATOM 1245 O TYR A 129 13.789 27.021 17.531 1.00 0.00 O ATOM 1246 CB TYR A 129 14.746 24.562 16.380 1.00 0.00 C ATOM 1247 CG TYR A 129 14.190 25.015 15.046 1.00 0.00 C ATOM 1248 CD1 TYR A 129 15.031 25.324 13.983 1.00 0.00 C ATOM 1249 CD2 TYR A 129 12.818 25.127 14.852 1.00 0.00 C ATOM 1250 CE1 TYR A 129 14.519 25.729 12.765 1.00 0.00 C ATOM 1251 CE2 TYR A 129 12.301 25.533 13.637 1.00 0.00 C ATOM 1252 CZ TYR A 129 13.155 25.834 12.598 1.00 0.00 C ATOM 1253 OH TYR A 129 12.646 26.233 11.385 1.00 0.00 O ATOM 1254 HH TYR A 129 13.391 26.408 10.757 1.00 0.00 H ATOM 1255 H TYR A 129 15.738 25.622 19.233 1.00 0.00 H ATOM 1256 N ASN A 130 15.670 27.995 16.796 1.00 0.00 N ATOM 1257 CA ASN A 130 15.038 29.288 16.592 1.00 0.00 C ATOM 1258 C ASN A 130 15.128 29.667 15.126 1.00 0.00 C ATOM 1259 O ASN A 130 16.203 29.992 14.624 1.00 0.00 O ATOM 1260 CB ASN A 130 15.664 30.387 17.453 1.00 0.00 C ATOM 1261 CG ASN A 130 14.957 31.721 17.261 1.00 0.00 C ATOM 1262 OD1 ASN A 130 13.766 31.766 16.952 1.00 0.00 O ATOM 1263 ND2 ASN A 130 15.685 32.815 17.422 1.00 0.00 N ATOM 1264 HD22 ASN A 130 16.689 32.738 17.683 1.00 0.00 H ATOM 1265 HD21 ASN A 130 15.253 33.751 17.287 1.00 0.00 H ATOM 1266 H ASN A 130 16.697 27.900 16.665 1.00 0.00 H ATOM 1267 N GLU A 131 13.995 29.610 14.447 1.00 0.00 N ATOM 1268 CA GLU A 131 13.924 29.900 13.020 1.00 0.00 C ATOM 1269 C GLU A 131 14.244 31.362 12.724 1.00 0.00 C ATOM 1270 O GLU A 131 14.665 31.703 11.620 1.00 0.00 O ATOM 1271 CB GLU A 131 12.527 29.570 12.505 1.00 0.00 C ATOM 1272 CG GLU A 131 11.427 30.259 13.297 1.00 0.00 C ATOM 1273 CD GLU A 131 10.043 29.956 12.772 1.00 0.00 C ATOM 1274 OE1 GLU A 131 9.558 28.826 12.988 1.00 0.00 O ATOM 1275 OE2 GLU A 131 9.419 30.856 12.176 1.00 0.00 O ATOM 1276 H GLU A 131 13.123 29.349 14.949 1.00 0.00 H ATOM 1277 N LYS A 132 14.045 32.220 13.717 1.00 0.00 N ATOM 1278 CA LYS A 132 14.207 33.654 13.531 1.00 0.00 C ATOM 1279 C LYS A 132 15.669 33.996 13.270 1.00 0.00 C ATOM 1280 O LYS A 132 16.006 34.569 12.236 1.00 0.00 O ATOM 1281 CB LYS A 132 13.697 34.404 14.766 1.00 0.00 C ATOM 1282 CG LYS A 132 13.108 35.777 14.467 1.00 0.00 C ATOM 1283 CD LYS A 132 14.134 36.736 13.888 1.00 0.00 C ATOM 1284 CE LYS A 132 13.493 38.058 13.507 1.00 0.00 C ATOM 1285 NZ LYS A 132 14.498 39.046 13.036 1.00 0.00 N ATOM 1286 HZ1 LYS A 132 15.188 39.224 13.793 1.00 0.00 H ATOM 1287 HZ2 LYS A 132 14.988 38.668 12.200 1.00 0.00 H ATOM 1288 HZ3 LYS A 132 14.018 39.934 12.786 1.00 0.00 H ATOM 1289 H LYS A 132 13.766 31.858 14.651 1.00 0.00 H ATOM 1290 N THR A 133 16.535 33.636 14.203 1.00 0.00 N ATOM 1291 CA THR A 133 17.946 33.953 14.080 1.00 0.00 C ATOM 1292 C THR A 133 18.710 32.813 13.405 1.00 0.00 C ATOM 1293 O THR A 133 19.832 32.996 12.927 1.00 0.00 O ATOM 1294 CB THR A 133 18.554 34.258 15.461 1.00 0.00 C ATOM 1295 OG1 THR A 133 18.345 33.150 16.349 1.00 0.00 O ATOM 1296 CG2 THR A 133 17.925 35.512 16.056 1.00 0.00 C ATOM 1297 HG1 THR A 133 18.740 33.358 17.233 1.00 0.00 H ATOM 1298 H THR A 133 16.199 33.117 15.039 1.00 0.00 H ATOM 1299 N GLY A 134 18.082 31.641 13.355 1.00 0.00 N ATOM 1300 CA GLY A 134 18.703 30.483 12.739 1.00 0.00 C ATOM 1301 C GLY A 134 19.767 29.871 13.624 1.00 0.00 C ATOM 1302 O GLY A 134 20.883 29.608 13.176 1.00 0.00 O ATOM 1303 H GLY A 134 17.130 31.553 13.764 1.00 0.00 H ATOM 1304 N VAL A 135 19.423 29.645 14.884 1.00 0.00 N ATOM 1305 CA VAL A 135 20.383 29.135 15.848 1.00 0.00 C ATOM 1306 C VAL A 135 19.842 27.911 16.577 1.00 0.00 C ATOM 1307 O VAL A 135 18.626 27.729 16.704 1.00 0.00 O ATOM 1308 CB VAL A 135 20.767 30.217 16.880 1.00 0.00 C ATOM 1309 CG1 VAL A 135 19.622 30.479 17.847 1.00 0.00 C ATOM 1310 CG2 VAL A 135 22.032 29.836 17.633 1.00 0.00 C ATOM 1311 H VAL A 135 18.447 29.836 15.188 1.00 0.00 H ATOM 1312 N TRP A 136 20.762 27.072 17.022 1.00 0.00 N ATOM 1313 CA TRP A 136 20.442 25.942 17.871 1.00 0.00 C ATOM 1314 C TRP A 136 21.600 25.687 18.828 1.00 0.00 C ATOM 1315 O TRP A 136 22.745 25.518 18.409 1.00 0.00 O ATOM 1316 CB TRP A 136 20.108 24.687 17.047 1.00 0.00 C ATOM 1317 CG TRP A 136 21.133 24.307 16.020 1.00 0.00 C ATOM 1318 CD1 TRP A 136 22.145 23.405 16.169 1.00 0.00 C ATOM 1319 CD2 TRP A 136 21.229 24.802 14.677 1.00 0.00 C ATOM 1320 NE1 TRP A 136 22.873 23.316 15.008 1.00 0.00 N ATOM 1321 CE2 TRP A 136 22.328 24.163 14.076 1.00 0.00 C ATOM 1322 CE3 TRP A 136 20.493 25.723 13.927 1.00 0.00 C ATOM 1323 CZ2 TRP A 136 22.710 24.417 12.760 1.00 0.00 C ATOM 1324 CZ3 TRP A 136 20.872 25.974 12.622 1.00 0.00 C ATOM 1325 CH2 TRP A 136 21.970 25.323 12.050 1.00 0.00 C ATOM 1326 HE1 TRP A 136 23.702 22.706 14.859 1.00 0.00 H ATOM 1327 H TRP A 136 21.754 27.229 16.752 1.00 0.00 H ATOM 1328 N GLU A 137 21.299 25.699 20.114 1.00 0.00 N ATOM 1329 CA GLU A 137 22.316 25.581 21.156 1.00 0.00 C ATOM 1330 C GLU A 137 22.908 24.178 21.256 1.00 0.00 C ATOM 1331 O GLU A 137 23.891 23.971 21.968 1.00 0.00 O ATOM 1332 CB GLU A 137 21.717 25.983 22.499 1.00 0.00 C ATOM 1333 CG GLU A 137 21.446 27.469 22.612 1.00 0.00 C ATOM 1334 CD GLU A 137 22.699 28.263 22.893 1.00 0.00 C ATOM 1335 OE1 GLU A 137 23.389 28.659 21.933 1.00 0.00 O ATOM 1336 OE2 GLU A 137 22.998 28.496 24.082 1.00 0.00 O ATOM 1337 H GLU A 137 20.302 25.796 20.395 1.00 0.00 H ATOM 1338 N LYS A 138 22.326 23.217 20.555 1.00 0.00 N ATOM 1339 CA LYS A 138 22.796 21.847 20.649 1.00 0.00 C ATOM 1340 C LYS A 138 22.305 21.002 19.484 1.00 0.00 C ATOM 1341 O LYS A 138 21.175 21.155 19.020 1.00 0.00 O ATOM 1342 CB LYS A 138 22.327 21.224 21.965 1.00 0.00 C ATOM 1343 CG LYS A 138 22.751 19.777 22.136 1.00 0.00 C ATOM 1344 CD LYS A 138 22.211 19.179 23.422 1.00 0.00 C ATOM 1345 CE LYS A 138 22.763 19.884 24.648 1.00 0.00 C ATOM 1346 NZ LYS A 138 22.468 19.134 25.896 1.00 0.00 N ATOM 1347 HZ1 LYS A 138 21.438 19.041 26.008 1.00 0.00 H ATOM 1348 HZ2 LYS A 138 22.898 18.189 25.841 1.00 0.00 H ATOM 1349 HZ3 LYS A 138 22.862 19.649 26.710 1.00 0.00 H ATOM 1350 H LYS A 138 21.525 23.446 19.932 1.00 0.00 H ATOM 1351 N ARG A 139 23.167 20.112 19.021 1.00 0.00 N ATOM 1352 CA ARG A 139 22.787 19.107 18.046 1.00 0.00 C ATOM 1353 C ARG A 139 22.995 17.720 18.646 1.00 0.00 C ATOM 1354 O ARG A 139 24.125 17.286 18.872 1.00 0.00 O ATOM 1355 CB ARG A 139 23.578 19.263 16.741 1.00 0.00 C ATOM 1356 CG ARG A 139 25.081 19.399 16.934 1.00 0.00 C ATOM 1357 CD ARG A 139 25.821 19.360 15.606 1.00 0.00 C ATOM 1358 NE ARG A 139 25.323 20.365 14.669 1.00 0.00 N ATOM 1359 CZ ARG A 139 25.963 21.489 14.366 1.00 0.00 C ATOM 1360 NH1 ARG A 139 27.150 21.758 14.899 1.00 0.00 N ATOM 1361 NH2 ARG A 139 25.413 22.334 13.514 1.00 0.00 N ATOM 1362 HE ARG A 139 24.407 20.189 14.209 1.00 0.00 H ATOM 1363 HH12 ARG A 139 27.642 22.641 14.654 1.00 0.00 H ATOM 1364 HH11 ARG A 139 27.587 21.085 15.561 1.00 0.00 H ATOM 1365 HH22 ARG A 139 25.903 23.218 13.268 1.00 0.00 H ATOM 1366 HH21 ARG A 139 24.489 22.116 13.089 1.00 0.00 H ATOM 1367 H ARG A 139 24.148 20.133 19.367 1.00 0.00 H ATOM 1368 N LYS A 140 21.899 17.045 18.943 1.00 0.00 N ATOM 1369 CA LYS A 140 21.956 15.725 19.547 1.00 0.00 C ATOM 1370 C LYS A 140 22.043 14.673 18.453 1.00 0.00 C ATOM 1371 O LYS A 140 21.053 14.373 17.784 1.00 0.00 O ATOM 1372 CB LYS A 140 20.721 15.507 20.437 1.00 0.00 C ATOM 1373 CG LYS A 140 20.761 14.248 21.296 1.00 0.00 C ATOM 1374 CD LYS A 140 20.105 13.059 20.611 1.00 0.00 C ATOM 1375 CE LYS A 140 19.922 11.900 21.576 1.00 0.00 C ATOM 1376 NZ LYS A 140 19.201 12.317 22.811 1.00 0.00 N ATOM 1377 HZ1 LYS A 140 19.744 13.062 23.293 1.00 0.00 H ATOM 1378 HZ2 LYS A 140 18.261 12.682 22.556 1.00 0.00 H ATOM 1379 HZ3 LYS A 140 19.096 11.498 23.443 1.00 0.00 H ATOM 1380 H LYS A 140 20.972 17.469 18.739 1.00 0.00 H ATOM 1381 N ILE A 141 23.239 14.148 18.244 1.00 0.00 N ATOM 1382 CA ILE A 141 23.471 13.169 17.228 1.00 0.00 C ATOM 1383 C ILE A 141 23.213 11.765 17.765 1.00 0.00 C ATOM 1384 O ILE A 141 23.718 11.372 18.821 1.00 0.00 O ATOM 1385 CB ILE A 141 24.907 13.302 16.691 1.00 0.00 C ATOM 1386 CG1 ILE A 141 25.252 12.148 15.780 1.00 0.00 C ATOM 1387 CG2 ILE A 141 25.923 13.405 17.820 1.00 0.00 C ATOM 1388 CD1 ILE A 141 24.524 12.187 14.456 1.00 0.00 C ATOM 1389 H ILE A 141 24.035 14.457 18.837 1.00 0.00 H ATOM 1390 N PHE A 142 22.397 11.031 17.040 1.00 0.00 N ATOM 1391 CA PHE A 142 22.043 9.678 17.414 1.00 0.00 C ATOM 1392 C PHE A 142 22.291 8.735 16.241 1.00 0.00 C ATOM 1393 O PHE A 142 21.684 8.867 15.177 1.00 0.00 O ATOM 1394 CB PHE A 142 20.580 9.641 17.900 1.00 0.00 C ATOM 1395 CG PHE A 142 19.827 8.382 17.581 1.00 0.00 C ATOM 1396 CD1 PHE A 142 20.320 7.138 17.940 1.00 0.00 C ATOM 1397 CD2 PHE A 142 18.619 8.452 16.914 1.00 0.00 C ATOM 1398 CE1 PHE A 142 19.619 5.991 17.636 1.00 0.00 C ATOM 1399 CE2 PHE A 142 17.911 7.308 16.611 1.00 0.00 C ATOM 1400 CZ PHE A 142 18.414 6.076 16.968 1.00 0.00 C ATOM 1401 H PHE A 142 21.994 11.435 16.171 1.00 0.00 H ATOM 1402 N VAL A 143 23.205 7.798 16.438 1.00 0.00 N ATOM 1403 CA VAL A 143 23.541 6.830 15.407 1.00 0.00 C ATOM 1404 C VAL A 143 23.124 5.430 15.834 1.00 0.00 C ATOM 1405 O VAL A 143 23.609 4.902 16.839 1.00 0.00 O ATOM 1406 CB VAL A 143 25.051 6.837 15.088 1.00 0.00 C ATOM 1407 CG1 VAL A 143 25.383 5.804 14.023 1.00 0.00 C ATOM 1408 CG2 VAL A 143 25.500 8.222 14.646 1.00 0.00 C ATOM 1409 H VAL A 143 23.695 7.753 17.354 1.00 0.00 H ATOM 1410 N ALA A 144 22.216 4.842 15.071 1.00 0.00 N ATOM 1411 CA ALA A 144 21.729 3.501 15.347 1.00 0.00 C ATOM 1412 C ALA A 144 22.323 2.505 14.363 1.00 0.00 C ATOM 1413 O ALA A 144 22.109 2.611 13.156 1.00 0.00 O ATOM 1414 CB ALA A 144 20.209 3.469 15.279 1.00 0.00 C ATOM 1415 H ALA A 144 21.840 5.356 14.249 1.00 0.00 H ATOM 1416 N THR A 145 23.066 1.544 14.883 1.00 0.00 N ATOM 1417 CA THR A 145 23.689 0.527 14.050 1.00 0.00 C ATOM 1418 C THR A 145 22.772 -0.688 13.927 1.00 0.00 C ATOM 1419 O THR A 145 22.111 -1.069 14.897 1.00 0.00 O ATOM 1420 CB THR A 145 25.052 0.103 14.630 1.00 0.00 C ATOM 1421 OG1 THR A 145 25.816 1.271 14.960 1.00 0.00 O ATOM 1422 CG2 THR A 145 25.828 -0.742 13.632 1.00 0.00 C ATOM 1423 HG1 THR A 145 25.324 1.807 15.631 1.00 0.00 H ATOM 1424 H THR A 145 23.209 1.514 15.913 1.00 0.00 H ATOM 1425 N GLU A 146 22.727 -1.278 12.735 1.00 0.00 N ATOM 1426 CA GLU A 146 21.805 -2.370 12.452 1.00 0.00 C ATOM 1427 C GLU A 146 22.133 -3.600 13.273 1.00 0.00 C ATOM 1428 O GLU A 146 23.295 -4.002 13.390 1.00 0.00 O ATOM 1429 CB GLU A 146 21.816 -2.726 10.965 1.00 0.00 C ATOM 1430 CG GLU A 146 20.664 -3.631 10.551 1.00 0.00 C ATOM 1431 CD GLU A 146 20.595 -3.853 9.054 1.00 0.00 C ATOM 1432 OE1 GLU A 146 20.175 -2.922 8.332 1.00 0.00 O ATOM 1433 OE2 GLU A 146 20.959 -4.962 8.597 1.00 0.00 O ATOM 1434 H GLU A 146 23.368 -0.950 11.984 1.00 0.00 H ATOM 1435 N VAL A 147 21.098 -4.185 13.841 1.00 0.00 N ATOM 1436 CA VAL A 147 21.234 -5.403 14.610 1.00 0.00 C ATOM 1437 C VAL A 147 20.752 -6.577 13.770 1.00 0.00 C ATOM 1438 O VAL A 147 20.098 -6.395 12.741 1.00 0.00 O ATOM 1439 CB VAL A 147 20.430 -5.347 15.929 1.00 0.00 C ATOM 1440 CG1 VAL A 147 20.990 -6.313 16.963 1.00 0.00 C ATOM 1441 CG2 VAL A 147 20.413 -3.938 16.489 1.00 0.00 C ATOM 1442 H VAL A 147 20.156 -3.759 13.733 1.00 0.00 H ATOM 1443 N LYS A 148 21.079 -7.769 14.205 1.00 0.00 N ATOM 1444 CA LYS A 148 20.686 -8.972 13.506 1.00 0.00 C ATOM 1445 C LYS A 148 19.468 -9.598 14.178 1.00 0.00 C ATOM 1446 O LYS A 148 18.585 -10.111 13.461 1.00 0.00 O ATOM 1447 CB LYS A 148 21.857 -9.952 13.457 1.00 0.00 C ATOM 1448 CG LYS A 148 22.467 -10.231 14.817 1.00 0.00 C ATOM 1449 CD LYS A 148 23.715 -11.081 14.702 1.00 0.00 C ATOM 1450 CE LYS A 148 24.181 -11.559 16.067 1.00 0.00 C ATOM 1451 NZ LYS A 148 23.120 -12.322 16.781 1.00 0.00 N ATOM 1452 HZ1 LYS A 148 22.288 -11.713 16.915 1.00 0.00 H ATOM 1453 HZ2 LYS A 148 22.854 -13.155 16.217 1.00 0.00 H ATOM 1454 HZ3 LYS A 148 23.479 -12.629 17.707 1.00 0.00 H ATOM 1455 H LYS A 148 21.637 -7.852 15.078 1.00 0.00 H TER 1456 LYS A 148 HETATM 1457 S2 UNN A 1 20.645 20.294 13.691 1.00 -0.11 S HETATM 1458 C5 UNN A 1 20.583 21.279 12.240 1.00 0.03 C HETATM 1459 C6 UNN A 1 19.385 21.888 11.852 1.00 -0.04 C HETATM 1460 C7 UNN A 1 19.331 22.641 10.685 1.00 -0.06 C HETATM 1461 C8 UNN A 1 20.468 22.792 9.901 1.00 -0.06 C HETATM 1462 C9 UNN A 1 21.662 22.191 10.283 1.00 -0.05 C HETATM 1463 C10 UNN A 1 21.726 21.437 11.452 1.00 0.06 C HETATM 1464 C11 UNN A 1 22.943 20.875 11.837 1.00 0.20 C HETATM 1465 O2 UNN A 1 23.465 21.160 12.921 1.00 -0.39 O HETATM 1466 N3 UNN A 1 23.491 20.050 10.932 1.00 -0.27 N HETATM 1467 C12 UNN A 1 24.947 19.932 10.766 1.00 0.12 C HETATM 1468 C13 UNN A 1 25.400 18.491 11.009 1.00 0.20 C HETATM 1469 O3 UNN A 1 24.816 17.760 11.809 1.00 -0.39 O HETATM 1470 N4 UNN A 1 26.468 18.113 10.292 1.00 -0.28 N HETATM 1471 C14 UNN A 1 26.963 16.729 10.347 1.00 0.05 C HETATM 1472 C18 UNN A 1 25.858 15.767 9.951 1.00 -0.02 C HETATM 1473 C17 UNN A 1 26.383 14.340 9.990 1.00 -0.04 C HETATM 1474 C19 UNN A 1 27.545 14.198 9.018 1.00 -0.05 C HETATM 1475 C23 UNN A 1 28.652 15.158 9.422 1.00 -0.04 C HETATM 1476 C24 UNN A 1 28.129 16.582 9.387 1.00 -0.02 C HETATM 1477 H16 UNN A 1 28.933 17.273 9.681 1.00 0.03 H HETATM 1478 H17 UNN A 1 27.794 16.822 8.367 1.00 0.03 H HETATM 1479 C25 UNN A 1 29.123 14.832 10.830 1.00 -0.05 C HETATM 1480 C20 UNN A 1 27.963 14.974 11.799 1.00 -0.04 C HETATM 1481 C26 UNN A 1 27.431 16.399 11.759 1.00 -0.02 C HETATM 1482 H21 UNN A 1 26.586 16.494 12.457 1.00 0.03 H HETATM 1483 H22 UNN A 1 28.229 17.096 12.053 1.00 0.03 H HETATM 1484 C16 UNN A 1 26.858 14.014 11.399 1.00 -0.05 C HETATM 1485 H23 UNN A 1 27.241 12.983 11.427 1.00 0.03 H HETATM 1486 H24 UNN A 1 26.017 14.112 12.101 1.00 0.03 H HETATM 1487 H20 UNN A 1 28.305 14.739 12.818 1.00 0.03 H HETATM 1488 H18 UNN A 1 29.927 15.525 11.117 1.00 0.03 H HETATM 1489 H19 UNN A 1 29.501 13.800 10.860 1.00 0.03 H HETATM 1490 H15 UNN A 1 29.494 15.059 8.722 1.00 0.03 H HETATM 1491 H13 UNN A 1 27.204 14.436 8.000 1.00 0.03 H HETATM 1492 H14 UNN A 1 27.924 13.166 9.046 1.00 0.03 H HETATM 1493 H12 UNN A 1 25.579 13.646 9.704 1.00 0.03 H HETATM 1494 H10 UNN A 1 25.515 16.003 8.933 1.00 0.03 H HETATM 1495 H11 UNN A 1 25.017 15.867 10.653 1.00 0.03 H HETATM 1496 H9 UNN A 1 26.934 18.781 9.712 1.00 0.19 H HETATM 1497 H7 UNN A 1 25.448 20.595 11.486 1.00 0.08 H HETATM 1498 H8 UNN A 1 25.220 20.229 9.743 1.00 0.08 H HETATM 1499 H6 UNN A 1 22.891 19.498 10.353 1.00 0.19 H HETATM 1500 H5 UNN A 1 22.547 22.310 9.668 1.00 0.07 H HETATM 1501 H4 UNN A 1 20.424 23.379 8.991 1.00 0.06 H HETATM 1502 H3 UNN A 1 18.401 23.111 10.386 1.00 0.06 H HETATM 1503 H2 UNN A 1 18.497 21.772 12.463 1.00 0.06 H HETATM 1504 H1 UNN A 1 20.000 19.524 13.601 1.00 0.12 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1457 1458 1504 CONECT 1458 1457 1459 1463 CONECT 1459 1458 1460 1503 CONECT 1460 1459 1461 1502 CONECT 1461 1460 1462 1501 CONECT 1462 1461 1463 1500 CONECT 1463 1458 1462 1464 CONECT 1464 1463 1465 1466 CONECT 1465 1464 CONECT 1466 1464 1467 1499 CONECT 1467 1466 1468 1497 1498 CONECT 1468 1467 1469 1470 CONECT 1469 1468 CONECT 1470 1468 1471 1496 CONECT 1471 1470 1472 1476 1481 CONECT 1472 1471 1473 1494 1495 CONECT 1473 1472 1474 1484 1493 CONECT 1474 1473 1475 1491 1492 CONECT 1475 1474 1476 1479 1490 CONECT 1476 1471 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1475 1480 1488 1489 CONECT 1480 1479 1481 1484 1487 CONECT 1481 1471 1480 1482 1483 CONECT 1482 1481 CONECT 1483 1481 CONECT 1484 1473 1480 1485 1486 CONECT 1485 1484 CONECT 1486 1484 CONECT 1487 1480 CONECT 1488 1479 CONECT 1489 1479 CONECT 1490 1475 CONECT 1491 1474 CONECT 1492 1474 CONECT 1493 1473 CONECT 1494 1472 CONECT 1495 1472 CONECT 1496 1470 CONECT 1497 1467 CONECT 1498 1467 CONECT 1499 1466 CONECT 1500 1462 CONECT 1501 1461 CONECT 1502 1460 CONECT 1503 1459 CONECT 1504 1457 MASTER 0 0 0 0 0 0 0 0 1503 1 52 12 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 2mlm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
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
2mlm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
sortase A from S. aureus
Ligand Name
2W7
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
IC50=6.11uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Bioorg.Med.Chem. Vol. 22: pp. 5988-6003
Ligand Properties
Formula
C
1
9
H
2
4
N
2
O
2
S
Molecular Weight
344.471
Exact Mass
344.156
No. of atoms
48
No. of bonds
51
Polar Surface Area
97
LOGP Value
3.37 (
Computed with XLOGP3
)
3.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
O=C(N[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)CNC(=O)c1ccccc1S
InChI String
InChI=1S/C19H24N2O2S/c22-17(11-20-18(23)15-3-1-2-4-16(15)24)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14,24H,5-11H2,(H,20,23)(H,21,22)/t12-,13+,14-,19-
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
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓