Browse entries in the PDBbind-CN Database
HEADER 6MV3_COMPLEX COMPND 6MV3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 MET ASP ASP ILE TYR LYS ALA ALA VAL GLU GLN LEU THR SEQRES 2 A 125 GLU GLU GLN LYS ASN GLU PHE LYS ALA ALA PHE ASP ILE SEQRES 3 A 125 PHE VAL LEU GLY ALA GLU ASP GLY SER ILE SER THR LYS SEQRES 4 A 125 GLU LEU GLY LYS VAL MET ARG MET LEU GLY GLN ASN PRO SEQRES 5 A 125 THR PRO GLU GLU LEU GLN GLU MET ILE ASP GLU VAL ASP SEQRES 6 A 125 GLU ASP GLY SER GLY THR VAL ASP PHE ASP GLU PHE LEU SEQRES 7 A 125 VAL MET MET VAL ARG SER MET LYS ASP ASP SER LYS GLY SEQRES 8 A 125 LYS PHE LYS ARG PRO THR LEU ARG ARG VAL ARG ILE SER SEQRES 9 A 125 ALA ASP ALA MET MET GLN ALA LEU LEU GLY ALA ARG ALA SEQRES 10 A 125 LYS GLY HIS HIS HIS HIS HIS HIS HET CA A 1 1 HET WW A 7 44 ATOM 1 N MET A 1 -1.535 -8.284 -9.828 1.00 0.00 N ATOM 2 CA MET A 1 -1.516 -8.932 -8.489 1.00 0.00 C ATOM 3 C MET A 1 -2.280 -10.249 -8.564 1.00 0.00 C ATOM 4 O MET A 1 -2.631 -10.714 -9.650 1.00 0.00 O ATOM 5 CB MET A 1 -2.167 -8.010 -7.444 1.00 0.00 C ATOM 6 CG MET A 1 -2.235 -6.561 -7.957 1.00 0.00 C ATOM 7 SD MET A 1 -3.964 -6.091 -8.221 1.00 0.00 S ATOM 8 CE MET A 1 -3.958 -6.193 -10.028 1.00 0.00 C ATOM 9 HN3 MET A 1 -2.519 -8.103 -10.110 1.00 0.00 H ATOM 10 HN2 MET A 1 -1.084 -8.913 -10.523 1.00 0.00 H ATOM 11 HN1 MET A 1 -1.015 -7.384 -9.784 1.00 0.00 H ATOM 12 N ASP A 2 -2.537 -10.847 -7.406 1.00 0.00 N ATOM 13 CA ASP A 2 -3.263 -12.109 -7.355 1.00 0.00 C ATOM 14 C ASP A 2 -4.698 -11.921 -7.837 1.00 0.00 C ATOM 15 O ASP A 2 -5.278 -10.849 -7.682 1.00 0.00 O ATOM 16 CB ASP A 2 -3.268 -12.658 -5.926 1.00 0.00 C ATOM 17 CG ASP A 2 -1.874 -13.165 -5.562 1.00 0.00 C ATOM 18 OD1 ASP A 2 -1.050 -13.271 -6.456 1.00 0.00 O ATOM 19 OD2 ASP A 2 -1.653 -13.445 -4.395 1.00 0.00 O ATOM 20 H ASP A 2 -2.214 -10.407 -6.521 1.00 0.00 H ATOM 21 N ASP A 3 -5.269 -12.972 -8.417 1.00 0.00 N ATOM 22 CA ASP A 3 -6.639 -12.902 -8.913 1.00 0.00 C ATOM 23 C ASP A 3 -7.587 -12.514 -7.786 1.00 0.00 C ATOM 24 O ASP A 3 -8.495 -11.705 -7.975 1.00 0.00 O ATOM 25 CB ASP A 3 -7.050 -14.257 -9.491 1.00 0.00 C ATOM 26 CG ASP A 3 -8.484 -14.197 -10.002 1.00 0.00 C ATOM 27 OD1 ASP A 3 -9.091 -13.144 -9.887 1.00 0.00 O ATOM 28 OD2 ASP A 3 -8.961 -15.208 -10.492 1.00 0.00 O ATOM 29 H ASP A 3 -4.731 -13.857 -8.519 1.00 0.00 H ATOM 30 N ILE A 4 -7.360 -13.083 -6.615 1.00 0.00 N ATOM 31 CA ILE A 4 -8.192 -12.773 -5.457 1.00 0.00 C ATOM 32 C ILE A 4 -8.069 -11.293 -5.105 1.00 0.00 C ATOM 33 O ILE A 4 -9.074 -10.606 -4.915 1.00 0.00 O ATOM 34 CB ILE A 4 -7.767 -13.633 -4.259 1.00 0.00 C ATOM 35 CG1 ILE A 4 -8.042 -12.878 -2.954 1.00 0.00 C ATOM 36 CG2 ILE A 4 -6.280 -13.940 -4.365 1.00 0.00 C ATOM 37 CD1 ILE A 4 -9.537 -12.572 -2.847 1.00 0.00 C ATOM 38 H ILE A 4 -6.578 -13.761 -6.517 1.00 0.00 H ATOM 39 N TYR A 5 -6.836 -10.803 -5.031 1.00 0.00 N ATOM 40 CA TYR A 5 -6.605 -9.403 -4.710 1.00 0.00 C ATOM 41 C TYR A 5 -7.215 -8.517 -5.784 1.00 0.00 C ATOM 42 O TYR A 5 -7.805 -7.476 -5.487 1.00 0.00 O ATOM 43 CB TYR A 5 -5.102 -9.128 -4.599 1.00 0.00 C ATOM 44 CG TYR A 5 -4.593 -9.625 -3.263 1.00 0.00 C ATOM 45 CD1 TYR A 5 -3.335 -10.230 -3.170 1.00 0.00 C ATOM 46 CD2 TYR A 5 -5.383 -9.475 -2.116 1.00 0.00 C ATOM 47 CE1 TYR A 5 -2.868 -10.685 -1.931 1.00 0.00 C ATOM 48 CE2 TYR A 5 -4.916 -9.932 -0.879 1.00 0.00 C ATOM 49 CZ TYR A 5 -3.658 -10.537 -0.787 1.00 0.00 C ATOM 50 OH TYR A 5 -3.195 -10.988 0.432 1.00 0.00 O ATOM 51 HH TYR A 5 -2.296 -11.385 0.316 1.00 0.00 H ATOM 52 H TYR A 5 -6.024 -11.429 -5.205 1.00 0.00 H ATOM 53 N LYS A 6 -7.085 -8.945 -7.033 1.00 0.00 N ATOM 54 CA LYS A 6 -7.643 -8.190 -8.148 1.00 0.00 C ATOM 55 C LYS A 6 -9.149 -8.056 -7.975 1.00 0.00 C ATOM 56 O LYS A 6 -9.713 -6.973 -8.151 1.00 0.00 O ATOM 57 CB LYS A 6 -7.346 -8.909 -9.468 1.00 0.00 C ATOM 58 CG LYS A 6 -7.924 -8.110 -10.634 1.00 0.00 C ATOM 59 CD LYS A 6 -7.696 -8.876 -11.934 1.00 0.00 C ATOM 60 CE LYS A 6 -8.208 -8.035 -13.106 1.00 0.00 C ATOM 61 NZ LYS A 6 -9.692 -7.887 -13.010 1.00 0.00 N ATOM 62 HZ1 LYS A 6 -10.136 -8.827 -13.040 1.00 0.00 H ATOM 63 HZ2 LYS A 6 -9.935 -7.416 -12.115 1.00 0.00 H ATOM 64 HZ3 LYS A 6 -10.034 -7.315 -13.808 1.00 0.00 H ATOM 65 H LYS A 6 -6.577 -9.833 -7.219 1.00 0.00 H ATOM 66 N ALA A 7 -9.793 -9.161 -7.620 1.00 0.00 N ATOM 67 CA ALA A 7 -11.232 -9.161 -7.406 1.00 0.00 C ATOM 68 C ALA A 7 -11.593 -8.251 -6.239 1.00 0.00 C ATOM 69 O ALA A 7 -12.592 -7.535 -6.283 1.00 0.00 O ATOM 70 CB ALA A 7 -11.725 -10.583 -7.127 1.00 0.00 C ATOM 71 H ALA A 7 -9.259 -10.044 -7.492 1.00 0.00 H ATOM 72 N ALA A 8 -10.772 -8.284 -5.194 1.00 0.00 N ATOM 73 CA ALA A 8 -11.018 -7.463 -4.013 1.00 0.00 C ATOM 74 C ALA A 8 -11.048 -5.990 -4.380 1.00 0.00 C ATOM 75 O ALA A 8 -11.895 -5.236 -3.900 1.00 0.00 O ATOM 76 CB ALA A 8 -9.917 -7.707 -2.972 1.00 0.00 C ATOM 77 H ALA A 8 -9.939 -8.906 -5.219 1.00 0.00 H ATOM 78 N VAL A 9 -10.127 -5.585 -5.239 1.00 0.00 N ATOM 79 CA VAL A 9 -10.066 -4.196 -5.663 1.00 0.00 C ATOM 80 C VAL A 9 -11.349 -3.812 -6.395 1.00 0.00 C ATOM 81 O VAL A 9 -11.912 -2.740 -6.167 1.00 0.00 O ATOM 82 CB VAL A 9 -8.859 -3.982 -6.577 1.00 0.00 C ATOM 83 CG1 VAL A 9 -8.915 -2.577 -7.182 1.00 0.00 C ATOM 84 CG2 VAL A 9 -7.573 -4.142 -5.769 1.00 0.00 C ATOM 85 H VAL A 9 -9.439 -6.268 -5.615 1.00 0.00 H ATOM 86 N GLU A 10 -11.800 -4.698 -7.278 1.00 0.00 N ATOM 87 CA GLU A 10 -13.017 -4.456 -8.046 1.00 0.00 C ATOM 88 C GLU A 10 -14.246 -4.514 -7.142 1.00 0.00 C ATOM 89 O GLU A 10 -15.253 -3.854 -7.401 1.00 0.00 O ATOM 90 CB GLU A 10 -13.149 -5.491 -9.160 1.00 0.00 C ATOM 91 CG GLU A 10 -12.052 -5.255 -10.202 1.00 0.00 C ATOM 92 CD GLU A 10 -12.074 -6.370 -11.241 1.00 0.00 C ATOM 93 OE1 GLU A 10 -12.816 -7.320 -11.046 1.00 0.00 O ATOM 94 OE2 GLU A 10 -11.346 -6.263 -12.213 1.00 0.00 O ATOM 95 H GLU A 10 -11.274 -5.583 -7.425 1.00 0.00 H ATOM 96 N GLN A 11 -14.157 -5.316 -6.085 1.00 0.00 N ATOM 97 CA GLN A 11 -15.265 -5.466 -5.145 1.00 0.00 C ATOM 98 C GLN A 11 -15.510 -4.172 -4.376 1.00 0.00 C ATOM 99 O GLN A 11 -16.653 -3.810 -4.101 1.00 0.00 O ATOM 100 CB GLN A 11 -14.960 -6.592 -4.158 1.00 0.00 C ATOM 101 CG GLN A 11 -15.055 -7.944 -4.866 1.00 0.00 C ATOM 102 CD GLN A 11 -16.511 -8.268 -5.175 1.00 0.00 C ATOM 103 OE1 GLN A 11 -16.909 -8.292 -6.340 1.00 0.00 O ATOM 104 NE2 GLN A 11 -17.333 -8.523 -4.196 1.00 0.00 N ATOM 105 HE22 GLN A 11 -16.994 -8.502 -3.213 1.00 0.00 H ATOM 106 HE21 GLN A 11 -18.328 -8.748 -4.398 1.00 0.00 H ATOM 107 H GLN A 11 -13.278 -5.849 -5.924 1.00 0.00 H ATOM 108 N LEU A 12 -14.431 -3.479 -4.023 1.00 0.00 N ATOM 109 CA LEU A 12 -14.550 -2.231 -3.276 1.00 0.00 C ATOM 110 C LEU A 12 -15.525 -1.288 -3.975 1.00 0.00 C ATOM 111 O LEU A 12 -15.455 -1.093 -5.190 1.00 0.00 O ATOM 112 CB LEU A 12 -13.182 -1.560 -3.179 1.00 0.00 C ATOM 113 CG LEU A 12 -12.201 -2.495 -2.466 1.00 0.00 C ATOM 114 CD1 LEU A 12 -10.781 -1.948 -2.603 1.00 0.00 C ATOM 115 CD2 LEU A 12 -12.569 -2.571 -0.982 1.00 0.00 C ATOM 116 H LEU A 12 -13.488 -3.832 -4.283 1.00 0.00 H ATOM 117 N THR A 13 -16.427 -0.706 -3.194 1.00 0.00 N ATOM 118 CA THR A 13 -17.418 0.221 -3.729 1.00 0.00 C ATOM 119 C THR A 13 -16.754 1.527 -4.144 1.00 0.00 C ATOM 120 O THR A 13 -15.536 1.672 -4.041 1.00 0.00 O ATOM 121 CB THR A 13 -18.507 0.495 -2.690 1.00 0.00 C ATOM 122 OG1 THR A 13 -19.725 0.795 -3.358 1.00 0.00 O ATOM 123 CG2 THR A 13 -18.095 1.683 -1.836 1.00 0.00 C ATOM 124 HG1 THR A 13 -20.432 0.973 -2.688 1.00 0.00 H ATOM 125 H THR A 13 -16.427 -0.916 -2.175 1.00 0.00 H ATOM 126 N GLU A 14 -17.555 2.471 -4.629 1.00 0.00 N ATOM 127 CA GLU A 14 -17.016 3.749 -5.070 1.00 0.00 C ATOM 128 C GLU A 14 -16.305 4.455 -3.918 1.00 0.00 C ATOM 129 O GLU A 14 -15.184 4.937 -4.074 1.00 0.00 O ATOM 130 CB GLU A 14 -18.151 4.638 -5.564 1.00 0.00 C ATOM 131 CG GLU A 14 -18.732 4.068 -6.860 1.00 0.00 C ATOM 132 CD GLU A 14 -19.951 3.205 -6.547 1.00 0.00 C ATOM 133 OE1 GLU A 14 -20.639 3.512 -5.588 1.00 0.00 O ATOM 134 OE2 GLU A 14 -20.179 2.250 -7.272 1.00 0.00 O ATOM 135 H GLU A 14 -18.578 2.294 -4.694 1.00 0.00 H ATOM 136 N GLU A 15 -16.956 4.505 -2.758 1.00 0.00 N ATOM 137 CA GLU A 15 -16.360 5.147 -1.593 1.00 0.00 C ATOM 138 C GLU A 15 -15.098 4.408 -1.157 1.00 0.00 C ATOM 139 O GLU A 15 -14.091 5.032 -0.825 1.00 0.00 O ATOM 140 CB GLU A 15 -17.361 5.163 -0.435 1.00 0.00 C ATOM 141 CG GLU A 15 -18.485 6.153 -0.743 1.00 0.00 C ATOM 142 CD GLU A 15 -19.577 6.048 0.316 1.00 0.00 C ATOM 143 OE1 GLU A 15 -19.588 5.062 1.033 1.00 0.00 O ATOM 144 OE2 GLU A 15 -20.384 6.960 0.396 1.00 0.00 O ATOM 145 H GLU A 15 -17.902 4.080 -2.682 1.00 0.00 H ATOM 146 N GLN A 16 -15.154 3.077 -1.159 1.00 0.00 N ATOM 147 CA GLN A 16 -14.001 2.277 -0.760 1.00 0.00 C ATOM 148 C GLN A 16 -12.819 2.517 -1.695 1.00 0.00 C ATOM 149 O GLN A 16 -11.696 2.737 -1.245 1.00 0.00 O ATOM 150 CB GLN A 16 -14.366 0.792 -0.779 1.00 0.00 C ATOM 151 CG GLN A 16 -15.337 0.479 0.366 1.00 0.00 C ATOM 152 CD GLN A 16 -15.668 -1.011 0.376 1.00 0.00 C ATOM 153 OE1 GLN A 16 -14.990 -1.803 -0.280 1.00 0.00 O ATOM 154 NE2 GLN A 16 -16.670 -1.444 1.092 1.00 0.00 N ATOM 155 HE22 GLN A 16 -17.242 -0.774 1.645 1.00 0.00 H ATOM 156 HE21 GLN A 16 -16.897 -2.459 1.109 1.00 0.00 H ATOM 157 H GLN A 16 -16.032 2.601 -1.449 1.00 0.00 H ATOM 158 N LYS A 17 -13.086 2.489 -2.997 1.00 0.00 N ATOM 159 CA LYS A 17 -12.043 2.716 -3.987 1.00 0.00 C ATOM 160 C LYS A 17 -11.514 4.142 -3.866 1.00 0.00 C ATOM 161 O LYS A 17 -10.308 4.376 -3.924 1.00 0.00 O ATOM 162 CB LYS A 17 -12.599 2.482 -5.382 1.00 0.00 C ATOM 163 CG LYS A 17 -11.530 1.772 -6.207 1.00 0.00 C ATOM 164 CD LYS A 17 -11.997 0.351 -6.536 1.00 0.00 C ATOM 165 CE LYS A 17 -12.385 0.260 -8.017 1.00 0.00 C ATOM 166 NZ LYS A 17 -12.970 -1.084 -8.300 1.00 0.00 N ATOM 167 HZ1 LYS A 17 -12.268 -1.819 -8.080 1.00 0.00 H ATOM 168 HZ2 LYS A 17 -13.816 -1.223 -7.711 1.00 0.00 H ATOM 169 HZ3 LYS A 17 -13.232 -1.142 -9.305 1.00 0.00 H ATOM 170 H LYS A 17 -14.058 2.301 -3.314 1.00 0.00 H ATOM 171 N ASN A 18 -12.429 5.093 -3.688 1.00 0.00 N ATOM 172 CA ASN A 18 -12.045 6.494 -3.552 1.00 0.00 C ATOM 173 C ASN A 18 -11.180 6.692 -2.311 1.00 0.00 C ATOM 174 O ASN A 18 -10.187 7.420 -2.344 1.00 0.00 O ATOM 175 CB ASN A 18 -13.297 7.373 -3.453 1.00 0.00 C ATOM 176 CG ASN A 18 -12.903 8.847 -3.505 1.00 0.00 C ATOM 177 OD1 ASN A 18 -11.777 9.202 -3.151 1.00 0.00 O ATOM 178 ND2 ASN A 18 -13.764 9.729 -3.931 1.00 0.00 N ATOM 179 HD22 ASN A 18 -14.713 9.427 -4.229 1.00 0.00 H ATOM 180 HD21 ASN A 18 -13.501 10.734 -3.973 1.00 0.00 H ATOM 181 H ASN A 18 -13.435 4.833 -3.645 1.00 0.00 H ATOM 182 N GLU A 19 -11.561 6.037 -1.217 1.00 0.00 N ATOM 183 CA GLU A 19 -10.814 6.145 0.029 1.00 0.00 C ATOM 184 C GLU A 19 -9.387 5.644 -0.157 1.00 0.00 C ATOM 185 O GLU A 19 -8.431 6.280 0.289 1.00 0.00 O ATOM 186 CB GLU A 19 -11.512 5.333 1.118 1.00 0.00 C ATOM 187 CG GLU A 19 -10.737 5.482 2.426 1.00 0.00 C ATOM 188 CD GLU A 19 -11.428 4.700 3.539 1.00 0.00 C ATOM 189 OE1 GLU A 19 -12.456 4.102 3.265 1.00 0.00 O ATOM 190 OE2 GLU A 19 -10.919 4.708 4.648 1.00 0.00 O ATOM 191 H GLU A 19 -12.409 5.436 -1.252 1.00 0.00 H ATOM 192 N PHE A 20 -9.250 4.503 -0.820 1.00 0.00 N ATOM 193 CA PHE A 20 -7.933 3.923 -1.068 1.00 0.00 C ATOM 194 C PHE A 20 -7.168 4.745 -2.096 1.00 0.00 C ATOM 195 O PHE A 20 -5.955 4.941 -1.980 1.00 0.00 O ATOM 196 CB PHE A 20 -8.085 2.492 -1.583 1.00 0.00 C ATOM 197 CG PHE A 20 -8.937 1.702 -0.608 1.00 0.00 C ATOM 198 CD1 PHE A 20 -9.877 0.785 -1.089 1.00 0.00 C ATOM 199 CD2 PHE A 20 -8.794 1.895 0.773 1.00 0.00 C ATOM 200 CE1 PHE A 20 -10.675 0.060 -0.195 1.00 0.00 C ATOM 201 CE2 PHE A 20 -9.592 1.168 1.669 1.00 0.00 C ATOM 202 CZ PHE A 20 -10.532 0.251 1.184 1.00 0.00 C ATOM 203 H PHE A 20 -10.097 4.012 -1.170 1.00 0.00 H ATOM 204 N LYS A 21 -7.880 5.212 -3.115 1.00 0.00 N ATOM 205 CA LYS A 21 -7.257 5.991 -4.167 1.00 0.00 C ATOM 206 C LYS A 21 -6.575 7.228 -3.592 1.00 0.00 C ATOM 207 O LYS A 21 -5.574 7.702 -4.129 1.00 0.00 O ATOM 208 CB LYS A 21 -8.309 6.419 -5.195 1.00 0.00 C ATOM 209 CG LYS A 21 -7.864 6.002 -6.597 1.00 0.00 C ATOM 210 CD LYS A 21 -7.747 7.242 -7.490 1.00 0.00 C ATOM 211 CE LYS A 21 -8.618 7.063 -8.737 1.00 0.00 C ATOM 212 NZ LYS A 21 -7.843 7.455 -9.948 1.00 0.00 N ATOM 213 HZ1 LYS A 21 -7.555 8.451 -9.867 1.00 0.00 H ATOM 214 HZ2 LYS A 21 -6.998 6.854 -10.027 1.00 0.00 H ATOM 215 HZ3 LYS A 21 -8.437 7.332 -10.793 1.00 0.00 H ATOM 216 H LYS A 21 -8.900 5.016 -3.159 1.00 0.00 H ATOM 217 N ALA A 22 -7.124 7.746 -2.500 1.00 0.00 N ATOM 218 CA ALA A 22 -6.559 8.928 -1.865 1.00 0.00 C ATOM 219 C ALA A 22 -5.122 8.649 -1.440 1.00 0.00 C ATOM 220 O ALA A 22 -4.236 9.486 -1.626 1.00 0.00 O ATOM 221 CB ALA A 22 -7.398 9.304 -0.638 1.00 0.00 C ATOM 222 H ALA A 22 -7.971 7.301 -2.092 1.00 0.00 H ATOM 223 N ALA A 23 -4.893 7.461 -0.887 1.00 0.00 N ATOM 224 CA ALA A 23 -3.555 7.071 -0.463 1.00 0.00 C ATOM 225 C ALA A 23 -2.640 6.945 -1.671 1.00 0.00 C ATOM 226 O ALA A 23 -1.478 7.343 -1.627 1.00 0.00 O ATOM 227 CB ALA A 23 -3.604 5.743 0.298 1.00 0.00 C ATOM 228 H ALA A 23 -5.684 6.798 -0.755 1.00 0.00 H ATOM 229 N PHE A 24 -3.178 6.395 -2.755 1.00 0.00 N ATOM 230 CA PHE A 24 -2.401 6.228 -3.980 1.00 0.00 C ATOM 231 C PHE A 24 -1.877 7.561 -4.486 1.00 0.00 C ATOM 232 O PHE A 24 -0.693 7.697 -4.780 1.00 0.00 O ATOM 233 CB PHE A 24 -3.260 5.578 -5.062 1.00 0.00 C ATOM 234 CG PHE A 24 -2.581 5.724 -6.406 1.00 0.00 C ATOM 235 CD1 PHE A 24 -1.419 4.996 -6.708 1.00 0.00 C ATOM 236 CD2 PHE A 24 -3.122 6.599 -7.357 1.00 0.00 C ATOM 237 CE1 PHE A 24 -0.804 5.150 -7.957 1.00 0.00 C ATOM 238 CE2 PHE A 24 -2.507 6.750 -8.603 1.00 0.00 C ATOM 239 CZ PHE A 24 -1.347 6.025 -8.903 1.00 0.00 C ATOM 240 H PHE A 24 -4.168 6.079 -2.730 1.00 0.00 H ATOM 241 N ASP A 25 -2.766 8.542 -4.582 1.00 0.00 N ATOM 242 CA ASP A 25 -2.377 9.860 -5.057 1.00 0.00 C ATOM 243 C ASP A 25 -1.320 10.474 -4.143 1.00 0.00 C ATOM 244 O ASP A 25 -0.305 10.992 -4.610 1.00 0.00 O ATOM 245 CB ASP A 25 -3.607 10.768 -5.112 1.00 0.00 C ATOM 246 CG ASP A 25 -3.228 12.125 -5.698 1.00 0.00 C ATOM 247 OD1 ASP A 25 -2.041 12.387 -5.813 1.00 0.00 O ATOM 248 OD2 ASP A 25 -4.128 12.878 -6.027 1.00 0.00 O ATOM 249 H ASP A 25 -3.755 8.365 -4.314 1.00 0.00 H ATOM 250 N ILE A 26 -1.566 10.407 -2.841 1.00 0.00 N ATOM 251 CA ILE A 26 -0.629 10.953 -1.866 1.00 0.00 C ATOM 252 C ILE A 26 0.684 10.183 -1.913 1.00 0.00 C ATOM 253 O ILE A 26 1.766 10.765 -1.845 1.00 0.00 O ATOM 254 CB ILE A 26 -1.230 10.878 -0.462 1.00 0.00 C ATOM 255 CG1 ILE A 26 -2.437 11.815 -0.378 1.00 0.00 C ATOM 256 CG2 ILE A 26 -0.181 11.316 0.561 1.00 0.00 C ATOM 257 CD1 ILE A 26 -3.202 11.545 0.918 1.00 0.00 C ATOM 258 H ILE A 26 -2.443 9.957 -2.510 1.00 0.00 H ATOM 259 N PHE A 27 0.585 8.864 -2.033 1.00 0.00 N ATOM 260 CA PHE A 27 1.772 8.024 -2.094 1.00 0.00 C ATOM 261 C PHE A 27 2.648 8.411 -3.279 1.00 0.00 C ATOM 262 O PHE A 27 3.865 8.521 -3.149 1.00 0.00 O ATOM 263 CB PHE A 27 1.366 6.555 -2.226 1.00 0.00 C ATOM 264 CG PHE A 27 1.753 5.802 -0.979 1.00 0.00 C ATOM 265 CD1 PHE A 27 0.775 5.404 -0.062 1.00 0.00 C ATOM 266 CD2 PHE A 27 3.098 5.495 -0.747 1.00 0.00 C ATOM 267 CE1 PHE A 27 1.144 4.701 1.089 1.00 0.00 C ATOM 268 CE2 PHE A 27 3.469 4.793 0.404 1.00 0.00 C ATOM 269 CZ PHE A 27 2.491 4.396 1.323 1.00 0.00 C ATOM 270 H PHE A 27 -0.356 8.424 -2.084 1.00 0.00 H ATOM 271 N VAL A 28 2.024 8.618 -4.431 1.00 0.00 N ATOM 272 CA VAL A 28 2.760 8.993 -5.634 1.00 0.00 C ATOM 273 C VAL A 28 2.780 10.510 -5.804 1.00 0.00 C ATOM 274 O VAL A 28 2.848 11.016 -6.923 1.00 0.00 O ATOM 275 CB VAL A 28 2.127 8.338 -6.863 1.00 0.00 C ATOM 276 CG1 VAL A 28 2.080 6.824 -6.663 1.00 0.00 C ATOM 277 CG2 VAL A 28 0.708 8.864 -7.042 1.00 0.00 C ATOM 278 H VAL A 28 0.991 8.511 -4.478 1.00 0.00 H ATOM 279 N LEU A 29 2.719 11.236 -4.688 1.00 0.00 N ATOM 280 CA LEU A 29 2.733 12.689 -4.738 1.00 0.00 C ATOM 281 C LEU A 29 3.982 13.187 -5.453 1.00 0.00 C ATOM 282 O LEU A 29 5.093 13.085 -4.929 1.00 0.00 O ATOM 283 CB LEU A 29 2.697 13.244 -3.319 1.00 0.00 C ATOM 284 CG LEU A 29 1.493 14.175 -3.172 1.00 0.00 C ATOM 285 CD1 LEU A 29 1.503 14.804 -1.783 1.00 0.00 C ATOM 286 CD2 LEU A 29 1.568 15.278 -4.229 1.00 0.00 C ATOM 287 H LEU A 29 2.660 10.756 -3.767 1.00 0.00 H ATOM 288 N GLY A 30 3.795 13.728 -6.652 1.00 0.00 N ATOM 289 CA GLY A 30 4.915 14.239 -7.432 1.00 0.00 C ATOM 290 C GLY A 30 5.502 13.153 -8.328 1.00 0.00 C ATOM 291 O GLY A 30 6.417 13.410 -9.109 1.00 0.00 O ATOM 292 H GLY A 30 2.832 13.788 -7.041 1.00 0.00 H ATOM 293 N ALA A 31 4.972 11.939 -8.211 1.00 0.00 N ATOM 294 CA ALA A 31 5.458 10.826 -9.016 1.00 0.00 C ATOM 295 C ALA A 31 5.249 11.107 -10.501 1.00 0.00 C ATOM 296 O ALA A 31 4.135 11.398 -10.936 1.00 0.00 O ATOM 297 CB ALA A 31 4.716 9.545 -8.625 1.00 0.00 C ATOM 298 H ALA A 31 4.198 11.781 -7.534 1.00 0.00 H ATOM 299 N GLU A 32 6.327 11.017 -11.273 1.00 0.00 N ATOM 300 CA GLU A 32 6.248 11.261 -12.708 1.00 0.00 C ATOM 301 C GLU A 32 5.364 10.220 -13.389 1.00 0.00 C ATOM 302 O GLU A 32 4.513 10.553 -14.213 1.00 0.00 O ATOM 303 CB GLU A 32 7.647 11.224 -13.319 1.00 0.00 C ATOM 304 CG GLU A 32 7.560 11.519 -14.817 1.00 0.00 C ATOM 305 CD GLU A 32 8.954 11.503 -15.434 1.00 0.00 C ATOM 306 OE1 GLU A 32 9.903 11.304 -14.696 1.00 0.00 O ATOM 307 OE2 GLU A 32 9.049 11.684 -16.636 1.00 0.00 O ATOM 308 H GLU A 32 7.242 10.768 -10.846 1.00 0.00 H ATOM 309 N ASP A 33 5.571 8.957 -13.030 1.00 0.00 N ATOM 310 CA ASP A 33 4.788 7.865 -13.604 1.00 0.00 C ATOM 311 C ASP A 33 3.410 7.788 -12.952 1.00 0.00 C ATOM 312 O ASP A 33 2.464 7.262 -13.539 1.00 0.00 O ATOM 313 CB ASP A 33 5.523 6.536 -13.422 1.00 0.00 C ATOM 314 CG ASP A 33 6.778 6.512 -14.288 1.00 0.00 C ATOM 315 OD1 ASP A 33 7.822 6.908 -13.799 1.00 0.00 O ATOM 316 OD2 ASP A 33 6.675 6.094 -15.431 1.00 0.00 O ATOM 317 H ASP A 33 6.306 8.742 -12.326 1.00 0.00 H ATOM 318 N GLY A 34 3.310 8.313 -11.734 1.00 0.00 N ATOM 319 CA GLY A 34 2.052 8.298 -11.004 1.00 0.00 C ATOM 320 C GLY A 34 1.947 7.064 -10.117 1.00 0.00 C ATOM 321 O GLY A 34 1.018 6.943 -9.321 1.00 0.00 O ATOM 322 H GLY A 34 4.149 8.743 -11.294 1.00 0.00 H ATOM 323 N SER A 35 2.907 6.152 -10.258 1.00 0.00 N ATOM 324 CA SER A 35 2.915 4.931 -9.455 1.00 0.00 C ATOM 325 C SER A 35 3.754 5.139 -8.199 1.00 0.00 C ATOM 326 O SER A 35 4.512 6.106 -8.105 1.00 0.00 O ATOM 327 CB SER A 35 3.483 3.766 -10.265 1.00 0.00 C ATOM 328 OG SER A 35 2.698 3.579 -11.436 1.00 0.00 O ATOM 329 HG SER A 35 3.065 2.824 -11.961 1.00 0.00 H ATOM 330 H SER A 35 3.665 6.312 -10.952 1.00 0.00 H ATOM 331 N ILE A 36 3.612 4.240 -7.230 1.00 0.00 N ATOM 332 CA ILE A 36 4.359 4.356 -5.982 1.00 0.00 C ATOM 333 C ILE A 36 5.648 3.544 -6.052 1.00 0.00 C ATOM 334 O ILE A 36 5.617 2.322 -6.163 1.00 0.00 O ATOM 335 CB ILE A 36 3.497 3.846 -4.828 1.00 0.00 C ATOM 336 CG1 ILE A 36 2.145 4.558 -4.863 1.00 0.00 C ATOM 337 CG2 ILE A 36 4.191 4.149 -3.500 1.00 0.00 C ATOM 338 CD1 ILE A 36 1.227 3.980 -3.782 1.00 0.00 C ATOM 339 H ILE A 36 2.959 3.442 -7.364 1.00 0.00 H ATOM 340 N SER A 37 6.780 4.235 -5.984 1.00 0.00 N ATOM 341 CA SER A 37 8.077 3.570 -6.041 1.00 0.00 C ATOM 342 C SER A 37 8.792 3.679 -4.702 1.00 0.00 C ATOM 343 O SER A 37 8.204 4.098 -3.709 1.00 0.00 O ATOM 344 CB SER A 37 8.945 4.202 -7.126 1.00 0.00 C ATOM 345 OG SER A 37 9.498 5.415 -6.634 1.00 0.00 O ATOM 346 HG SER A 37 8.766 6.035 -6.390 1.00 0.00 H ATOM 347 H SER A 37 6.741 5.270 -5.888 1.00 0.00 H ATOM 348 N THR A 38 10.064 3.306 -4.683 1.00 0.00 N ATOM 349 CA THR A 38 10.843 3.379 -3.456 1.00 0.00 C ATOM 350 C THR A 38 10.933 4.815 -2.951 1.00 0.00 C ATOM 351 O THR A 38 10.777 5.068 -1.757 1.00 0.00 O ATOM 352 CB THR A 38 12.252 2.842 -3.700 1.00 0.00 C ATOM 353 OG1 THR A 38 12.622 3.090 -5.051 1.00 0.00 O ATOM 354 CG2 THR A 38 12.302 1.343 -3.409 1.00 0.00 C ATOM 355 HG1 THR A 38 13.535 2.743 -5.211 1.00 0.00 H ATOM 356 H THR A 38 10.510 2.957 -5.555 1.00 0.00 H ATOM 357 N LYS A 39 11.180 5.753 -3.860 1.00 0.00 N ATOM 358 CA LYS A 39 11.283 7.155 -3.474 1.00 0.00 C ATOM 359 C LYS A 39 9.972 7.624 -2.842 1.00 0.00 C ATOM 360 O LYS A 39 9.959 8.211 -1.754 1.00 0.00 O ATOM 361 CB LYS A 39 11.608 7.998 -4.709 1.00 0.00 C ATOM 362 CG LYS A 39 11.708 9.471 -4.315 1.00 0.00 C ATOM 363 CD LYS A 39 12.341 10.269 -5.456 1.00 0.00 C ATOM 364 CE LYS A 39 11.399 10.285 -6.661 1.00 0.00 C ATOM 365 NZ LYS A 39 11.958 11.183 -7.711 1.00 0.00 N ATOM 366 HZ1 LYS A 39 12.051 12.146 -7.328 1.00 0.00 H ATOM 367 HZ2 LYS A 39 12.893 10.833 -8.003 1.00 0.00 H ATOM 368 HZ3 LYS A 39 11.319 11.195 -8.531 1.00 0.00 H ATOM 369 H LYS A 39 11.301 5.484 -4.857 1.00 0.00 H ATOM 370 N GLU A 40 8.867 7.327 -3.511 1.00 0.00 N ATOM 371 CA GLU A 40 7.554 7.685 -2.995 1.00 0.00 C ATOM 372 C GLU A 40 7.227 6.874 -1.748 1.00 0.00 C ATOM 373 O GLU A 40 6.616 7.383 -0.806 1.00 0.00 O ATOM 374 CB GLU A 40 6.486 7.466 -4.063 1.00 0.00 C ATOM 375 CG GLU A 40 6.584 8.586 -5.102 1.00 0.00 C ATOM 376 CD GLU A 40 7.748 8.333 -6.049 1.00 0.00 C ATOM 377 OE1 GLU A 40 8.260 7.225 -6.045 1.00 0.00 O ATOM 378 OE2 GLU A 40 8.121 9.253 -6.756 1.00 0.00 O ATOM 379 H GLU A 40 8.939 6.829 -4.421 1.00 0.00 H ATOM 380 N LEU A 41 7.634 5.608 -1.756 1.00 0.00 N ATOM 381 CA LEU A 41 7.379 4.718 -0.629 1.00 0.00 C ATOM 382 C LEU A 41 8.025 5.261 0.635 1.00 0.00 C ATOM 383 O LEU A 41 7.399 5.314 1.694 1.00 0.00 O ATOM 384 CB LEU A 41 7.945 3.328 -0.931 1.00 0.00 C ATOM 385 CG LEU A 41 7.689 2.403 0.261 1.00 0.00 C ATOM 386 CD1 LEU A 41 6.185 2.281 0.499 1.00 0.00 C ATOM 387 CD2 LEU A 41 8.267 1.018 -0.027 1.00 0.00 C ATOM 388 H LEU A 41 8.146 5.244 -2.585 1.00 0.00 H ATOM 389 N GLY A 42 9.278 5.667 0.511 1.00 0.00 N ATOM 390 CA GLY A 42 10.008 6.218 1.646 1.00 0.00 C ATOM 391 C GLY A 42 9.322 7.475 2.165 1.00 0.00 C ATOM 392 O GLY A 42 9.244 7.695 3.370 1.00 0.00 O ATOM 393 H GLY A 42 9.750 5.592 -0.412 1.00 0.00 H ATOM 394 N LYS A 43 8.817 8.298 1.249 1.00 0.00 N ATOM 395 CA LYS A 43 8.140 9.527 1.645 1.00 0.00 C ATOM 396 C LYS A 43 6.968 9.230 2.583 1.00 0.00 C ATOM 397 O LYS A 43 6.830 9.844 3.646 1.00 0.00 O ATOM 398 CB LYS A 43 7.624 10.246 0.396 1.00 0.00 C ATOM 399 CG LYS A 43 6.778 11.451 0.807 1.00 0.00 C ATOM 400 CD LYS A 43 6.393 12.255 -0.434 1.00 0.00 C ATOM 401 CE LYS A 43 7.656 12.861 -1.047 1.00 0.00 C ATOM 402 NZ LYS A 43 7.281 13.801 -2.139 1.00 0.00 N ATOM 403 HZ1 LYS A 43 6.754 13.286 -2.872 1.00 0.00 H ATOM 404 HZ2 LYS A 43 6.686 14.561 -1.752 1.00 0.00 H ATOM 405 HZ3 LYS A 43 8.143 14.211 -2.553 1.00 0.00 H ATOM 406 H LYS A 43 8.906 8.062 0.240 1.00 0.00 H ATOM 407 N VAL A 44 6.137 8.275 2.195 1.00 0.00 N ATOM 408 CA VAL A 44 4.996 7.902 3.018 1.00 0.00 C ATOM 409 C VAL A 44 5.467 7.326 4.346 1.00 0.00 C ATOM 410 O VAL A 44 4.911 7.631 5.397 1.00 0.00 O ATOM 411 CB VAL A 44 4.132 6.880 2.283 1.00 0.00 C ATOM 412 CG1 VAL A 44 3.057 6.347 3.233 1.00 0.00 C ATOM 413 CG2 VAL A 44 3.466 7.556 1.082 1.00 0.00 C ATOM 414 H VAL A 44 6.301 7.786 1.292 1.00 0.00 H ATOM 415 N MET A 45 6.495 6.489 4.286 1.00 0.00 N ATOM 416 CA MET A 45 7.032 5.872 5.491 1.00 0.00 C ATOM 417 C MET A 45 7.536 6.935 6.462 1.00 0.00 C ATOM 418 O MET A 45 7.367 6.810 7.676 1.00 0.00 O ATOM 419 CB MET A 45 8.186 4.927 5.122 1.00 0.00 C ATOM 420 CG MET A 45 7.639 3.597 4.605 1.00 0.00 C ATOM 421 SD MET A 45 7.774 2.353 5.912 1.00 0.00 S ATOM 422 CE MET A 45 6.107 1.682 5.760 1.00 0.00 C ATOM 423 H MET A 45 6.924 6.270 3.364 1.00 0.00 H ATOM 424 N ARG A 46 8.149 7.980 5.923 1.00 0.00 N ATOM 425 CA ARG A 46 8.669 9.058 6.751 1.00 0.00 C ATOM 426 C ARG A 46 7.523 9.710 7.509 1.00 0.00 C ATOM 427 O ARG A 46 7.658 10.071 8.677 1.00 0.00 O ATOM 428 CB ARG A 46 9.372 10.096 5.868 1.00 0.00 C ATOM 429 CG ARG A 46 10.637 9.476 5.270 1.00 0.00 C ATOM 430 CD ARG A 46 11.225 10.418 4.217 1.00 0.00 C ATOM 431 NE ARG A 46 11.879 11.554 4.852 1.00 0.00 N ATOM 432 CZ ARG A 46 13.152 11.480 5.226 1.00 0.00 C ATOM 433 NH1 ARG A 46 13.829 10.381 5.021 1.00 0.00 N ATOM 434 NH2 ARG A 46 13.731 12.502 5.791 1.00 0.00 N ATOM 435 HE ARG A 46 11.345 12.431 5.014 1.00 0.00 H ATOM 436 HH12 ARG A 46 14.825 10.322 5.313 1.00 0.00 H ATOM 437 HH11 ARG A 46 13.371 9.566 4.566 1.00 0.00 H ATOM 438 HH22 ARG A 46 14.727 12.440 6.082 1.00 0.00 H ATOM 439 HH21 ARG A 46 13.197 13.380 5.951 1.00 0.00 H ATOM 440 H ARG A 46 8.260 8.030 4.890 1.00 0.00 H ATOM 441 N MET A 47 6.389 9.848 6.836 1.00 0.00 N ATOM 442 CA MET A 47 5.220 10.450 7.465 1.00 0.00 C ATOM 443 C MET A 47 4.746 9.602 8.643 1.00 0.00 C ATOM 444 O MET A 47 4.287 10.128 9.658 1.00 0.00 O ATOM 445 CB MET A 47 4.079 10.603 6.459 1.00 0.00 C ATOM 446 CG MET A 47 4.450 11.679 5.442 1.00 0.00 C ATOM 447 SD MET A 47 2.969 12.612 4.979 1.00 0.00 S ATOM 448 CE MET A 47 1.920 11.199 4.559 1.00 0.00 C ATOM 449 H MET A 47 6.333 9.523 5.850 1.00 0.00 H ATOM 450 N LEU A 48 4.839 8.285 8.486 1.00 0.00 N ATOM 451 CA LEU A 48 4.399 7.361 9.529 1.00 0.00 C ATOM 452 C LEU A 48 5.452 7.255 10.629 1.00 0.00 C ATOM 453 O LEU A 48 5.262 6.547 11.620 1.00 0.00 O ATOM 454 CB LEU A 48 4.156 5.969 8.934 1.00 0.00 C ATOM 455 CG LEU A 48 3.843 6.094 7.442 1.00 0.00 C ATOM 456 CD1 LEU A 48 3.249 4.787 6.925 1.00 0.00 C ATOM 457 CD2 LEU A 48 2.848 7.226 7.210 1.00 0.00 C ATOM 458 H LEU A 48 5.233 7.904 7.602 1.00 0.00 H ATOM 459 N GLY A 49 6.562 7.963 10.446 1.00 0.00 N ATOM 460 CA GLY A 49 7.643 7.942 11.423 1.00 0.00 C ATOM 461 C GLY A 49 8.686 6.893 11.060 1.00 0.00 C ATOM 462 O GLY A 49 9.640 6.668 11.806 1.00 0.00 O ATOM 463 H GLY A 49 6.661 8.543 9.589 1.00 0.00 H ATOM 464 N GLN A 50 8.503 6.252 9.909 1.00 0.00 N ATOM 465 CA GLN A 50 9.439 5.229 9.463 1.00 0.00 C ATOM 466 C GLN A 50 10.377 5.794 8.402 1.00 0.00 C ATOM 467 O GLN A 50 9.971 6.611 7.577 1.00 0.00 O ATOM 468 CB GLN A 50 8.680 4.043 8.874 1.00 0.00 C ATOM 469 CG GLN A 50 7.702 3.504 9.922 1.00 0.00 C ATOM 470 CD GLN A 50 8.460 3.013 11.150 1.00 0.00 C ATOM 471 OE1 GLN A 50 9.528 2.415 11.025 1.00 0.00 O ATOM 472 NE2 GLN A 50 7.963 3.223 12.342 1.00 0.00 N ATOM 473 HE22 GLN A 50 7.060 3.728 12.447 1.00 0.00 H ATOM 474 HE21 GLN A 50 8.471 2.884 13.184 1.00 0.00 H ATOM 475 H GLN A 50 7.679 6.485 9.319 1.00 0.00 H ATOM 476 N ASN A 51 11.630 5.354 8.426 1.00 0.00 N ATOM 477 CA ASN A 51 12.606 5.824 7.451 1.00 0.00 C ATOM 478 C ASN A 51 13.361 4.649 6.843 1.00 0.00 C ATOM 479 O ASN A 51 14.580 4.546 6.978 1.00 0.00 O ATOM 480 CB ASN A 51 13.594 6.777 8.124 1.00 0.00 C ATOM 481 CG ASN A 51 12.848 7.973 8.702 1.00 0.00 C ATOM 482 OD1 ASN A 51 12.234 8.742 7.962 1.00 0.00 O ATOM 483 ND2 ASN A 51 12.858 8.174 9.992 1.00 0.00 N ATOM 484 HD22 ASN A 51 13.377 7.523 10.616 1.00 0.00 H ATOM 485 HD21 ASN A 51 12.347 8.985 10.396 1.00 0.00 H ATOM 486 H ASN A 51 11.918 4.665 9.150 1.00 0.00 H ATOM 487 N PRO A 52 12.663 3.775 6.170 1.00 0.00 N ATOM 488 CA PRO A 52 13.285 2.589 5.510 1.00 0.00 C ATOM 489 C PRO A 52 14.234 2.986 4.382 1.00 0.00 C ATOM 490 O PRO A 52 14.010 3.975 3.687 1.00 0.00 O ATOM 491 CB PRO A 52 12.083 1.810 4.966 1.00 0.00 C ATOM 492 CG PRO A 52 10.977 2.805 4.857 1.00 0.00 C ATOM 493 CD PRO A 52 11.202 3.809 5.971 1.00 0.00 C ATOM 494 N THR A 53 15.296 2.203 4.214 1.00 0.00 N ATOM 495 CA THR A 53 16.284 2.475 3.172 1.00 0.00 C ATOM 496 C THR A 53 15.749 2.075 1.802 1.00 0.00 C ATOM 497 O THR A 53 14.758 1.356 1.697 1.00 0.00 O ATOM 498 CB THR A 53 17.579 1.719 3.462 1.00 0.00 C ATOM 499 OG1 THR A 53 17.338 0.321 3.403 1.00 0.00 O ATOM 500 CG2 THR A 53 18.092 2.100 4.848 1.00 0.00 C ATOM 501 HG1 THR A 53 18.179 -0.166 3.591 1.00 0.00 H ATOM 502 H THR A 53 15.426 1.380 4.837 1.00 0.00 H ATOM 503 N PRO A 54 16.380 2.534 0.761 1.00 0.00 N ATOM 504 CA PRO A 54 15.957 2.221 -0.635 1.00 0.00 C ATOM 505 C PRO A 54 15.775 0.723 -0.854 1.00 0.00 C ATOM 506 O PRO A 54 14.822 0.292 -1.499 1.00 0.00 O ATOM 507 CB PRO A 54 17.105 2.745 -1.483 1.00 0.00 C ATOM 508 CG PRO A 54 17.717 3.825 -0.664 1.00 0.00 C ATOM 509 CD PRO A 54 17.560 3.407 0.793 1.00 0.00 C ATOM 510 N GLU A 55 16.692 -0.067 -0.300 1.00 0.00 N ATOM 511 CA GLU A 55 16.610 -1.517 -0.432 1.00 0.00 C ATOM 512 C GLU A 55 15.319 -2.024 0.199 1.00 0.00 C ATOM 513 O GLU A 55 14.620 -2.859 -0.370 1.00 0.00 O ATOM 514 CB GLU A 55 17.813 -2.172 0.256 1.00 0.00 C ATOM 515 CG GLU A 55 17.705 -3.693 0.151 1.00 0.00 C ATOM 516 CD GLU A 55 17.787 -4.126 -1.307 1.00 0.00 C ATOM 517 OE1 GLU A 55 18.241 -3.335 -2.116 1.00 0.00 O ATOM 518 OE2 GLU A 55 17.398 -5.247 -1.593 1.00 0.00 O ATOM 519 H GLU A 55 17.478 0.356 0.234 1.00 0.00 H ATOM 520 N GLU A 56 15.003 -1.503 1.374 1.00 0.00 N ATOM 521 CA GLU A 56 13.783 -1.894 2.070 1.00 0.00 C ATOM 522 C GLU A 56 12.562 -1.389 1.311 1.00 0.00 C ATOM 523 O GLU A 56 11.528 -2.056 1.255 1.00 0.00 O ATOM 524 CB GLU A 56 13.779 -1.339 3.497 1.00 0.00 C ATOM 525 CG GLU A 56 12.544 -1.855 4.240 1.00 0.00 C ATOM 526 CD GLU A 56 12.566 -1.372 5.685 1.00 0.00 C ATOM 527 OE1 GLU A 56 13.452 -0.602 6.016 1.00 0.00 O ATOM 528 OE2 GLU A 56 11.702 -1.785 6.441 1.00 0.00 O ATOM 529 H GLU A 56 15.636 -0.802 1.809 1.00 0.00 H ATOM 530 N LEU A 57 12.686 -0.194 0.741 1.00 0.00 N ATOM 531 CA LEU A 57 11.586 0.407 0.001 1.00 0.00 C ATOM 532 C LEU A 57 11.188 -0.466 -1.187 1.00 0.00 C ATOM 533 O LEU A 57 10.002 -0.668 -1.452 1.00 0.00 O ATOM 534 CB LEU A 57 12.009 1.785 -0.517 1.00 0.00 C ATOM 535 CG LEU A 57 12.141 2.760 0.656 1.00 0.00 C ATOM 536 CD1 LEU A 57 12.900 4.010 0.206 1.00 0.00 C ATOM 537 CD2 LEU A 57 10.747 3.173 1.125 1.00 0.00 C ATOM 538 H LEU A 57 13.586 0.321 0.826 1.00 0.00 H ATOM 539 N GLN A 58 12.183 -0.985 -1.899 1.00 0.00 N ATOM 540 CA GLN A 58 11.911 -1.831 -3.055 1.00 0.00 C ATOM 541 C GLN A 58 11.304 -3.160 -2.605 1.00 0.00 C ATOM 542 O GLN A 58 10.393 -3.686 -3.242 1.00 0.00 O ATOM 543 CB GLN A 58 13.210 -2.088 -3.829 1.00 0.00 C ATOM 544 CG GLN A 58 13.928 -3.287 -3.225 1.00 0.00 C ATOM 545 CD GLN A 58 15.397 -3.285 -3.641 1.00 0.00 C ATOM 546 OE1 GLN A 58 15.871 -2.320 -4.243 1.00 0.00 O ATOM 547 NE2 GLN A 58 16.149 -4.311 -3.352 1.00 0.00 N ATOM 548 HE22 GLN A 58 15.746 -5.124 -2.844 1.00 0.00 H ATOM 549 HE21 GLN A 58 17.151 -4.316 -3.630 1.00 0.00 H ATOM 550 H GLN A 58 13.167 -0.785 -1.628 1.00 0.00 H ATOM 551 N GLU A 59 11.807 -3.689 -1.498 1.00 0.00 N ATOM 552 CA GLU A 59 11.296 -4.945 -0.964 1.00 0.00 C ATOM 553 C GLU A 59 9.833 -4.787 -0.550 1.00 0.00 C ATOM 554 O GLU A 59 9.002 -5.670 -0.796 1.00 0.00 O ATOM 555 CB GLU A 59 12.142 -5.382 0.239 1.00 0.00 C ATOM 556 CG GLU A 59 11.594 -6.691 0.805 1.00 0.00 C ATOM 557 CD GLU A 59 11.688 -7.792 -0.245 1.00 0.00 C ATOM 558 OE1 GLU A 59 12.463 -7.632 -1.173 1.00 0.00 O ATOM 559 OE2 GLU A 59 10.981 -8.776 -0.106 1.00 0.00 O ATOM 560 H GLU A 59 12.579 -3.199 -1.002 1.00 0.00 H ATOM 561 N MET A 60 9.522 -3.654 0.071 1.00 0.00 N ATOM 562 CA MET A 60 8.156 -3.388 0.511 1.00 0.00 C ATOM 563 C MET A 60 7.220 -3.369 -0.687 1.00 0.00 C ATOM 564 O MET A 60 6.116 -3.913 -0.630 1.00 0.00 O ATOM 565 CB MET A 60 8.092 -2.050 1.250 1.00 0.00 C ATOM 566 CG MET A 60 8.835 -2.166 2.584 1.00 0.00 C ATOM 567 SD MET A 60 7.981 -1.180 3.840 1.00 0.00 S ATOM 568 CE MET A 60 8.004 0.392 2.950 1.00 0.00 C ATOM 569 H MET A 60 10.263 -2.946 0.246 1.00 0.00 H ATOM 570 N ILE A 61 7.677 -2.769 -1.777 1.00 0.00 N ATOM 571 CA ILE A 61 6.882 -2.716 -2.998 1.00 0.00 C ATOM 572 C ILE A 61 6.698 -4.116 -3.573 1.00 0.00 C ATOM 573 O ILE A 61 5.637 -4.450 -4.099 1.00 0.00 O ATOM 574 CB ILE A 61 7.550 -1.801 -4.027 1.00 0.00 C ATOM 575 CG1 ILE A 61 7.063 -0.364 -3.806 1.00 0.00 C ATOM 576 CG2 ILE A 61 7.191 -2.258 -5.441 1.00 0.00 C ATOM 577 CD1 ILE A 61 8.159 0.615 -4.209 1.00 0.00 C ATOM 578 H ILE A 61 8.619 -2.328 -1.761 1.00 0.00 H ATOM 579 N ASP A 62 7.742 -4.929 -3.466 1.00 0.00 N ATOM 580 CA ASP A 62 7.699 -6.294 -3.980 1.00 0.00 C ATOM 581 C ASP A 62 6.580 -7.075 -3.306 1.00 0.00 C ATOM 582 O ASP A 62 5.977 -7.963 -3.910 1.00 0.00 O ATOM 583 CB ASP A 62 9.035 -6.996 -3.720 1.00 0.00 C ATOM 584 CG ASP A 62 9.154 -8.222 -4.623 1.00 0.00 C ATOM 585 OD1 ASP A 62 8.241 -8.450 -5.401 1.00 0.00 O ATOM 586 OD2 ASP A 62 10.152 -8.914 -4.523 1.00 0.00 O ATOM 587 H ASP A 62 8.609 -4.586 -3.006 1.00 0.00 H ATOM 588 N GLU A 63 6.307 -6.743 -2.051 1.00 0.00 N ATOM 589 CA GLU A 63 5.259 -7.435 -1.307 1.00 0.00 C ATOM 590 C GLU A 63 3.927 -7.321 -2.044 1.00 0.00 C ATOM 591 O GLU A 63 3.157 -8.282 -2.108 1.00 0.00 O ATOM 592 CB GLU A 63 5.114 -6.813 0.087 1.00 0.00 C ATOM 593 CG GLU A 63 6.340 -7.163 0.929 1.00 0.00 C ATOM 594 CD GLU A 63 6.246 -6.498 2.301 1.00 0.00 C ATOM 595 OE1 GLU A 63 5.331 -5.715 2.496 1.00 0.00 O ATOM 596 OE2 GLU A 63 7.094 -6.779 3.131 1.00 0.00 O ATOM 597 H GLU A 63 6.846 -5.981 -1.592 1.00 0.00 H ATOM 598 N VAL A 64 3.670 -6.149 -2.610 1.00 0.00 N ATOM 599 CA VAL A 64 2.434 -5.922 -3.355 1.00 0.00 C ATOM 600 C VAL A 64 2.717 -5.960 -4.851 1.00 0.00 C ATOM 601 O VAL A 64 1.825 -5.737 -5.672 1.00 0.00 O ATOM 602 CB VAL A 64 1.814 -4.566 -2.984 1.00 0.00 C ATOM 603 CG1 VAL A 64 0.410 -4.790 -2.424 1.00 0.00 C ATOM 604 CG2 VAL A 64 2.668 -3.863 -1.924 1.00 0.00 C ATOM 605 H VAL A 64 4.362 -5.377 -2.522 1.00 0.00 H ATOM 606 N ASP A 65 3.969 -6.242 -5.195 1.00 0.00 N ATOM 607 CA ASP A 65 4.374 -6.311 -6.594 1.00 0.00 C ATOM 608 C ASP A 65 4.533 -7.759 -7.050 1.00 0.00 C ATOM 609 O ASP A 65 5.643 -8.229 -7.289 1.00 0.00 O ATOM 610 CB ASP A 65 5.694 -5.561 -6.794 1.00 0.00 C ATOM 611 CG ASP A 65 5.444 -4.261 -7.547 1.00 0.00 C ATOM 612 OD1 ASP A 65 4.348 -4.093 -8.059 1.00 0.00 O ATOM 613 OD2 ASP A 65 6.351 -3.451 -7.598 1.00 0.00 O ATOM 614 H ASP A 65 4.675 -6.417 -4.451 1.00 0.00 H ATOM 615 N GLU A 66 3.412 -8.455 -7.185 1.00 0.00 N ATOM 616 CA GLU A 66 3.437 -9.841 -7.633 1.00 0.00 C ATOM 617 C GLU A 66 4.024 -9.952 -9.033 1.00 0.00 C ATOM 618 O GLU A 66 4.754 -10.896 -9.337 1.00 0.00 O ATOM 619 CB GLU A 66 2.032 -10.422 -7.617 1.00 0.00 C ATOM 620 CG GLU A 66 1.641 -10.792 -6.183 1.00 0.00 C ATOM 621 CD GLU A 66 1.415 -9.534 -5.355 1.00 0.00 C ATOM 622 OE1 GLU A 66 1.128 -8.504 -5.942 1.00 0.00 O ATOM 623 OE2 GLU A 66 1.532 -9.619 -4.143 1.00 0.00 O ATOM 624 H GLU A 66 2.500 -8.004 -6.968 1.00 0.00 H ATOM 625 N ASP A 67 3.699 -8.988 -9.881 1.00 0.00 N ATOM 626 CA ASP A 67 4.198 -8.992 -11.247 1.00 0.00 C ATOM 627 C ASP A 67 5.675 -8.610 -11.283 1.00 0.00 C ATOM 628 O ASP A 67 6.293 -8.598 -12.347 1.00 0.00 O ATOM 629 CB ASP A 67 3.393 -8.000 -12.086 1.00 0.00 C ATOM 630 CG ASP A 67 3.554 -6.586 -11.532 1.00 0.00 C ATOM 631 OD1 ASP A 67 4.160 -6.444 -10.484 1.00 0.00 O ATOM 632 OD2 ASP A 67 3.067 -5.664 -12.167 1.00 0.00 O ATOM 633 H ASP A 67 3.077 -8.216 -9.565 1.00 0.00 H ATOM 634 N GLY A 68 6.241 -8.317 -10.116 1.00 0.00 N ATOM 635 CA GLY A 68 7.651 -7.961 -10.037 1.00 0.00 C ATOM 636 C GLY A 68 7.911 -6.614 -10.698 1.00 0.00 C ATOM 637 O GLY A 68 9.035 -6.321 -11.102 1.00 0.00 O ATOM 638 H GLY A 68 5.669 -8.342 -9.248 1.00 0.00 H ATOM 639 N SER A 69 6.867 -5.804 -10.818 1.00 0.00 N ATOM 640 CA SER A 69 7.002 -4.499 -11.451 1.00 0.00 C ATOM 641 C SER A 69 8.010 -3.641 -10.693 1.00 0.00 C ATOM 642 O SER A 69 8.701 -2.812 -11.283 1.00 0.00 O ATOM 643 CB SER A 69 5.648 -3.792 -11.474 1.00 0.00 C ATOM 644 OG SER A 69 5.268 -3.475 -10.143 1.00 0.00 O ATOM 645 HG SER A 69 5.201 -4.308 -9.613 1.00 0.00 H ATOM 646 H SER A 69 5.940 -6.105 -10.455 1.00 0.00 H ATOM 647 N GLY A 70 8.090 -3.848 -9.383 1.00 0.00 N ATOM 648 CA GLY A 70 9.024 -3.091 -8.556 1.00 0.00 C ATOM 649 C GLY A 70 8.378 -1.816 -8.026 1.00 0.00 C ATOM 650 O GLY A 70 8.939 -1.132 -7.171 1.00 0.00 O ATOM 651 H GLY A 70 7.477 -4.561 -8.940 1.00 0.00 H ATOM 652 N THR A 71 7.190 -1.507 -8.533 1.00 0.00 N ATOM 653 CA THR A 71 6.469 -0.320 -8.099 1.00 0.00 C ATOM 654 C THR A 71 5.020 -0.662 -7.765 1.00 0.00 C ATOM 655 O THR A 71 4.472 -1.655 -8.255 1.00 0.00 O ATOM 656 CB THR A 71 6.507 0.741 -9.200 1.00 0.00 C ATOM 657 OG1 THR A 71 5.912 0.219 -10.381 1.00 0.00 O ATOM 658 CG2 THR A 71 7.959 1.130 -9.481 1.00 0.00 C ATOM 659 HG1 THR A 71 4.972 -0.030 -10.194 1.00 0.00 H ATOM 660 H THR A 71 6.767 -2.125 -9.254 1.00 0.00 H ATOM 661 N VAL A 72 4.403 0.173 -6.936 1.00 0.00 N ATOM 662 CA VAL A 72 3.014 -0.032 -6.544 1.00 0.00 C ATOM 663 C VAL A 72 2.112 1.010 -7.201 1.00 0.00 C ATOM 664 O VAL A 72 2.050 2.161 -6.769 1.00 0.00 O ATOM 665 CB VAL A 72 2.884 0.058 -5.018 1.00 0.00 C ATOM 666 CG1 VAL A 72 1.406 0.082 -4.627 1.00 0.00 C ATOM 667 CG2 VAL A 72 3.548 -1.160 -4.375 1.00 0.00 C ATOM 668 H VAL A 72 4.922 0.991 -6.558 1.00 0.00 H ATOM 669 N ASP A 73 1.409 0.588 -8.241 1.00 0.00 N ATOM 670 CA ASP A 73 0.497 1.473 -8.958 1.00 0.00 C ATOM 671 C ASP A 73 -0.857 1.525 -8.252 1.00 0.00 C ATOM 672 O ASP A 73 -0.980 1.102 -7.102 1.00 0.00 O ATOM 673 CB ASP A 73 0.314 0.992 -10.401 1.00 0.00 C ATOM 674 CG ASP A 73 -0.303 -0.402 -10.417 1.00 0.00 C ATOM 675 OD1 ASP A 73 -0.712 -0.856 -9.368 1.00 0.00 O ATOM 676 OD2 ASP A 73 -0.350 -0.995 -11.481 1.00 0.00 O ATOM 677 H ASP A 73 1.509 -0.399 -8.554 1.00 0.00 H ATOM 678 N PHE A 74 -1.865 2.055 -8.940 1.00 0.00 N ATOM 679 CA PHE A 74 -3.202 2.166 -8.359 1.00 0.00 C ATOM 680 C PHE A 74 -3.731 0.796 -7.926 1.00 0.00 C ATOM 681 O PHE A 74 -4.179 0.616 -6.796 1.00 0.00 O ATOM 682 CB PHE A 74 -4.157 2.780 -9.391 1.00 0.00 C ATOM 683 CG PHE A 74 -5.580 2.636 -8.904 1.00 0.00 C ATOM 684 CD1 PHE A 74 -5.968 3.240 -7.709 1.00 0.00 C ATOM 685 CD2 PHE A 74 -6.507 1.893 -9.645 1.00 0.00 C ATOM 686 CE1 PHE A 74 -7.286 3.101 -7.238 1.00 0.00 C ATOM 687 CE2 PHE A 74 -7.823 1.754 -9.183 1.00 0.00 C ATOM 688 CZ PHE A 74 -8.214 2.358 -7.980 1.00 0.00 C ATOM 689 H PHE A 74 -1.699 2.396 -9.908 1.00 0.00 H ATOM 690 N ASP A 75 -3.666 -0.167 -8.829 1.00 0.00 N ATOM 691 CA ASP A 75 -4.138 -1.514 -8.524 1.00 0.00 C ATOM 692 C ASP A 75 -3.249 -2.184 -7.476 1.00 0.00 C ATOM 693 O ASP A 75 -3.723 -2.944 -6.633 1.00 0.00 O ATOM 694 CB ASP A 75 -4.171 -2.350 -9.787 1.00 0.00 C ATOM 695 CG ASP A 75 -5.285 -1.856 -10.704 1.00 0.00 C ATOM 696 OD1 ASP A 75 -6.128 -1.108 -10.234 1.00 0.00 O ATOM 697 OD2 ASP A 75 -5.280 -2.235 -11.863 1.00 0.00 O ATOM 698 H ASP A 75 -3.273 0.038 -9.770 1.00 0.00 H ATOM 699 N GLU A 76 -1.952 -1.907 -7.549 1.00 0.00 N ATOM 700 CA GLU A 76 -0.996 -2.490 -6.612 1.00 0.00 C ATOM 701 C GLU A 76 -1.196 -1.959 -5.195 1.00 0.00 C ATOM 702 O GLU A 76 -1.170 -2.724 -4.232 1.00 0.00 O ATOM 703 CB GLU A 76 0.425 -2.181 -7.064 1.00 0.00 C ATOM 704 CG GLU A 76 1.007 -3.398 -7.776 1.00 0.00 C ATOM 705 CD GLU A 76 1.270 -3.079 -9.245 1.00 0.00 C ATOM 706 OE1 GLU A 76 1.789 -2.008 -9.517 1.00 0.00 O ATOM 707 OE2 GLU A 76 0.949 -3.911 -10.079 1.00 0.00 O ATOM 708 H GLU A 76 -1.610 -1.261 -8.289 1.00 0.00 H ATOM 709 N PHE A 77 -1.385 -0.645 -5.057 1.00 0.00 N ATOM 710 CA PHE A 77 -1.569 -0.061 -3.748 1.00 0.00 C ATOM 711 C PHE A 77 -2.867 -0.586 -3.120 1.00 0.00 C ATOM 712 O PHE A 77 -2.950 -0.791 -1.904 1.00 0.00 O ATOM 713 CB PHE A 77 -1.605 1.463 -3.890 1.00 0.00 C ATOM 714 CG PHE A 77 -3.029 1.961 -3.850 1.00 0.00 C ATOM 715 CD1 PHE A 77 -3.692 2.092 -2.629 1.00 0.00 C ATOM 716 CD2 PHE A 77 -3.687 2.286 -5.029 1.00 0.00 C ATOM 717 CE1 PHE A 77 -5.015 2.545 -2.602 1.00 0.00 C ATOM 718 CE2 PHE A 77 -5.003 2.741 -4.987 1.00 0.00 C ATOM 719 CZ PHE A 77 -5.663 2.867 -3.778 1.00 0.00 C ATOM 720 H PHE A 77 -1.400 -0.036 -5.900 1.00 0.00 H ATOM 721 N LEU A 78 -3.875 -0.813 -3.963 1.00 0.00 N ATOM 722 CA LEU A 78 -5.156 -1.331 -3.486 1.00 0.00 C ATOM 723 C LEU A 78 -4.987 -2.726 -2.906 1.00 0.00 C ATOM 724 O LEU A 78 -5.596 -3.067 -1.889 1.00 0.00 O ATOM 725 CB LEU A 78 -6.169 -1.359 -4.625 1.00 0.00 C ATOM 726 CG LEU A 78 -6.728 0.045 -4.808 1.00 0.00 C ATOM 727 CD1 LEU A 78 -7.251 0.207 -6.217 1.00 0.00 C ATOM 728 CD2 LEU A 78 -7.880 0.283 -3.830 1.00 0.00 C ATOM 729 H LEU A 78 -3.748 -0.618 -4.977 1.00 0.00 H ATOM 730 N VAL A 79 -4.155 -3.525 -3.559 1.00 0.00 N ATOM 731 CA VAL A 79 -3.898 -4.890 -3.113 1.00 0.00 C ATOM 732 C VAL A 79 -3.286 -4.870 -1.720 1.00 0.00 C ATOM 733 O VAL A 79 -3.673 -5.656 -0.859 1.00 0.00 O ATOM 734 CB VAL A 79 -2.946 -5.597 -4.080 1.00 0.00 C ATOM 735 CG1 VAL A 79 -2.515 -6.938 -3.484 1.00 0.00 C ATOM 736 CG2 VAL A 79 -3.650 -5.833 -5.420 1.00 0.00 C ATOM 737 H VAL A 79 -3.674 -3.170 -4.410 1.00 0.00 H ATOM 738 N MET A 80 -2.336 -3.964 -1.494 1.00 0.00 N ATOM 739 CA MET A 80 -1.708 -3.862 -0.188 1.00 0.00 C ATOM 740 C MET A 80 -2.763 -3.664 0.889 1.00 0.00 C ATOM 741 O MET A 80 -2.745 -4.341 1.917 1.00 0.00 O ATOM 742 CB MET A 80 -0.734 -2.680 -0.175 1.00 0.00 C ATOM 743 CG MET A 80 -0.231 -2.444 1.250 1.00 0.00 C ATOM 744 SD MET A 80 0.407 -3.991 1.940 1.00 0.00 S ATOM 745 CE MET A 80 1.877 -4.116 0.900 1.00 0.00 C ATOM 746 H MET A 80 -2.041 -3.324 -2.259 1.00 0.00 H ATOM 747 N MET A 81 -3.689 -2.744 0.650 1.00 0.00 N ATOM 748 CA MET A 81 -4.746 -2.490 1.622 1.00 0.00 C ATOM 749 C MET A 81 -5.604 -3.739 1.808 1.00 0.00 C ATOM 750 O MET A 81 -5.956 -4.112 2.928 1.00 0.00 O ATOM 751 CB MET A 81 -5.622 -1.342 1.133 1.00 0.00 C ATOM 752 CG MET A 81 -4.813 -0.046 1.124 1.00 0.00 C ATOM 753 SD MET A 81 -4.185 0.293 2.791 1.00 0.00 S ATOM 754 CE MET A 81 -2.420 0.159 2.407 1.00 0.00 C ATOM 755 H MET A 81 -3.661 -2.201 -0.236 1.00 0.00 H ATOM 756 N VAL A 82 -5.920 -4.388 0.696 1.00 0.00 N ATOM 757 CA VAL A 82 -6.723 -5.611 0.724 1.00 0.00 C ATOM 758 C VAL A 82 -5.967 -6.740 1.417 1.00 0.00 C ATOM 759 O VAL A 82 -6.548 -7.528 2.162 1.00 0.00 O ATOM 760 CB VAL A 82 -7.096 -6.037 -0.695 1.00 0.00 C ATOM 761 CG1 VAL A 82 -7.723 -7.429 -0.665 1.00 0.00 C ATOM 762 CG2 VAL A 82 -8.106 -5.045 -1.277 1.00 0.00 C ATOM 763 H VAL A 82 -5.589 -4.019 -0.218 1.00 0.00 H ATOM 764 N ARG A 83 -4.666 -6.820 1.152 1.00 0.00 N ATOM 765 CA ARG A 83 -3.835 -7.863 1.741 1.00 0.00 C ATOM 766 C ARG A 83 -3.890 -7.789 3.264 1.00 0.00 C ATOM 767 O ARG A 83 -4.055 -8.807 3.935 1.00 0.00 O ATOM 768 CB ARG A 83 -2.387 -7.693 1.278 1.00 0.00 C ATOM 769 CG ARG A 83 -1.558 -8.893 1.739 1.00 0.00 C ATOM 770 CD ARG A 83 -0.369 -9.082 0.795 1.00 0.00 C ATOM 771 NE ARG A 83 0.879 -9.091 1.549 1.00 0.00 N ATOM 772 CZ ARG A 83 2.046 -9.277 0.944 1.00 0.00 C ATOM 773 NH1 ARG A 83 2.092 -9.460 -0.347 1.00 0.00 N ATOM 774 NH2 ARG A 83 3.150 -9.275 1.641 1.00 0.00 N ATOM 775 HE ARG A 83 0.855 -8.949 2.579 1.00 0.00 H ATOM 776 HH12 ARG A 83 3.007 -9.606 -0.819 1.00 0.00 H ATOM 777 HH11 ARG A 83 1.214 -9.460 -0.904 1.00 0.00 H ATOM 778 HH22 ARG A 83 4.064 -9.421 1.167 1.00 0.00 H ATOM 779 HH21 ARG A 83 3.115 -9.128 2.670 1.00 0.00 H ATOM 780 H ARG A 83 -4.233 -6.124 0.512 1.00 0.00 H ATOM 781 N SER A 84 -3.760 -6.580 3.803 1.00 0.00 N ATOM 782 CA SER A 84 -3.806 -6.399 5.249 1.00 0.00 C ATOM 783 C SER A 84 -5.183 -6.770 5.792 1.00 0.00 C ATOM 784 O SER A 84 -5.299 -7.343 6.875 1.00 0.00 O ATOM 785 CB SER A 84 -3.495 -4.944 5.599 1.00 0.00 C ATOM 786 OG SER A 84 -4.486 -4.101 5.025 1.00 0.00 O ATOM 787 HG SER A 84 -4.484 -4.214 4.041 1.00 0.00 H ATOM 788 H SER A 84 -3.624 -5.754 3.186 1.00 0.00 H ATOM 789 N MET A 85 -6.223 -6.433 5.036 1.00 0.00 N ATOM 790 CA MET A 85 -7.589 -6.727 5.457 1.00 0.00 C ATOM 791 C MET A 85 -7.841 -8.234 5.440 1.00 0.00 C ATOM 792 O MET A 85 -8.491 -8.779 6.338 1.00 0.00 O ATOM 793 CB MET A 85 -8.579 -6.026 4.525 1.00 0.00 C ATOM 794 CG MET A 85 -9.892 -5.783 5.267 1.00 0.00 C ATOM 795 SD MET A 85 -9.544 -4.870 6.792 1.00 0.00 S ATOM 796 CE MET A 85 -8.314 -3.732 6.099 1.00 0.00 C ATOM 797 H MET A 85 -6.060 -5.951 4.129 1.00 0.00 H ATOM 798 N LYS A 86 -7.323 -8.901 4.411 1.00 0.00 N ATOM 799 CA LYS A 86 -7.488 -10.346 4.275 1.00 0.00 C ATOM 800 C LYS A 86 -8.824 -10.787 4.866 1.00 0.00 C ATOM 801 O LYS A 86 -9.760 -9.992 4.963 1.00 0.00 O ATOM 802 CB LYS A 86 -6.339 -11.061 4.994 1.00 0.00 C ATOM 803 CG LYS A 86 -5.202 -11.318 4.004 1.00 0.00 C ATOM 804 CD LYS A 86 -5.105 -12.817 3.710 1.00 0.00 C ATOM 805 CE LYS A 86 -4.277 -13.498 4.802 1.00 0.00 C ATOM 806 NZ LYS A 86 -3.425 -14.557 4.190 1.00 0.00 N ATOM 807 HZ1 LYS A 86 -4.031 -15.261 3.723 1.00 0.00 H ATOM 808 HZ2 LYS A 86 -2.789 -14.126 3.489 1.00 0.00 H ATOM 809 HZ3 LYS A 86 -2.862 -15.020 4.932 1.00 0.00 H ATOM 810 H LYS A 86 -6.788 -8.381 3.687 1.00 0.00 H ATOM 811 N ASP A 87 -8.911 -12.053 5.265 1.00 0.00 N ATOM 812 CA ASP A 87 -10.138 -12.571 5.846 1.00 0.00 C ATOM 813 C ASP A 87 -10.234 -12.182 7.319 1.00 0.00 C ATOM 814 O ASP A 87 -10.298 -13.043 8.196 1.00 0.00 O ATOM 815 CB ASP A 87 -10.159 -14.094 5.722 1.00 0.00 C ATOM 816 CG ASP A 87 -11.464 -14.648 6.281 1.00 0.00 C ATOM 817 OD1 ASP A 87 -12.210 -13.877 6.862 1.00 0.00 O ATOM 818 OD2 ASP A 87 -11.697 -15.835 6.125 1.00 0.00 O ATOM 819 H ASP A 87 -8.089 -12.681 5.160 1.00 0.00 H ATOM 820 N ASP A 88 -10.252 -10.878 7.580 1.00 0.00 N ATOM 821 CA ASP A 88 -10.350 -10.385 8.948 1.00 0.00 C ATOM 822 C ASP A 88 -9.270 -11.012 9.826 1.00 0.00 C ATOM 823 O ASP A 88 -9.537 -11.438 10.948 1.00 0.00 O ATOM 824 CB ASP A 88 -11.728 -10.715 9.520 1.00 0.00 C ATOM 825 CG ASP A 88 -11.973 -9.909 10.792 1.00 0.00 C ATOM 826 OD1 ASP A 88 -11.855 -8.697 10.733 1.00 0.00 O ATOM 827 OD2 ASP A 88 -12.277 -10.517 11.805 1.00 0.00 O ATOM 828 H ASP A 88 -10.195 -10.199 6.795 1.00 0.00 H ATOM 829 N SER A 89 -8.049 -11.062 9.303 1.00 0.00 N ATOM 830 CA SER A 89 -6.932 -11.637 10.045 1.00 0.00 C ATOM 831 C SER A 89 -5.869 -10.578 10.324 1.00 0.00 C ATOM 832 O SER A 89 -5.518 -9.790 9.445 1.00 0.00 O ATOM 833 CB SER A 89 -6.315 -12.786 9.251 1.00 0.00 C ATOM 834 OG SER A 89 -5.125 -13.216 9.900 1.00 0.00 O ATOM 835 HG SER A 89 -4.722 -13.961 9.388 1.00 0.00 H ATOM 836 H SER A 89 -7.887 -10.684 8.348 1.00 0.00 H ATOM 837 N LYS A 90 -5.363 -10.565 11.552 1.00 0.00 N ATOM 838 CA LYS A 90 -4.340 -9.600 11.936 1.00 0.00 C ATOM 839 C LYS A 90 -3.007 -10.299 12.182 1.00 0.00 C ATOM 840 O LYS A 90 -2.011 -10.010 11.520 1.00 0.00 O ATOM 841 CB LYS A 90 -4.770 -8.863 13.192 1.00 0.00 C ATOM 842 CG LYS A 90 -5.119 -7.417 12.835 1.00 0.00 C ATOM 843 CD LYS A 90 -6.542 -7.360 12.281 1.00 0.00 C ATOM 844 CE LYS A 90 -7.531 -7.812 13.359 1.00 0.00 C ATOM 845 NZ LYS A 90 -8.447 -6.687 13.699 1.00 0.00 N ATOM 846 HZ1 LYS A 90 -7.890 -5.884 14.054 1.00 0.00 H ATOM 847 HZ2 LYS A 90 -8.970 -6.398 12.848 1.00 0.00 H ATOM 848 HZ3 LYS A 90 -9.117 -6.997 14.431 1.00 0.00 H ATOM 849 H LYS A 90 -5.703 -11.255 12.252 1.00 0.00 H ATOM 850 N GLY A 136 -2.998 -11.223 13.140 1.00 0.00 N ATOM 851 CA GLY A 136 -1.784 -11.964 13.469 1.00 0.00 C ATOM 852 C GLY A 136 -0.992 -11.253 14.560 1.00 0.00 C ATOM 853 O GLY A 136 -0.859 -10.029 14.546 1.00 0.00 O ATOM 854 H GLY A 136 -3.874 -11.421 13.665 1.00 0.00 H ATOM 855 N LYS A 137 -0.463 -12.028 15.501 1.00 0.00 N ATOM 856 CA LYS A 137 0.320 -11.463 16.594 1.00 0.00 C ATOM 857 C LYS A 137 1.505 -12.364 16.928 1.00 0.00 C ATOM 858 O LYS A 137 2.272 -12.082 17.848 1.00 0.00 O ATOM 859 CB LYS A 137 -0.561 -11.283 17.829 1.00 0.00 C ATOM 860 CG LYS A 137 -1.270 -9.927 17.751 1.00 0.00 C ATOM 861 CD LYS A 137 -2.610 -10.017 18.478 1.00 0.00 C ATOM 862 CE LYS A 137 -3.208 -8.617 18.634 1.00 0.00 C ATOM 863 NZ LYS A 137 -3.990 -8.269 17.414 1.00 0.00 N ATOM 864 HZ1 LYS A 137 -3.363 -8.287 16.585 1.00 0.00 H ATOM 865 HZ2 LYS A 137 -4.756 -8.961 17.286 1.00 0.00 H ATOM 866 HZ3 LYS A 137 -4.395 -7.317 17.523 1.00 0.00 H ATOM 867 H LYS A 137 -0.610 -13.057 15.457 1.00 0.00 H ATOM 868 N PHE A 138 1.645 -13.449 16.173 1.00 0.00 N ATOM 869 CA PHE A 138 2.742 -14.388 16.390 1.00 0.00 C ATOM 870 C PHE A 138 3.966 -13.997 15.568 1.00 0.00 C ATOM 871 O PHE A 138 5.061 -14.517 15.783 1.00 0.00 O ATOM 872 CB PHE A 138 2.301 -15.805 16.018 1.00 0.00 C ATOM 873 CG PHE A 138 1.530 -16.409 17.160 1.00 0.00 C ATOM 874 CD1 PHE A 138 0.403 -17.180 16.897 1.00 0.00 C ATOM 875 CD2 PHE A 138 1.947 -16.198 18.480 1.00 0.00 C ATOM 876 CE1 PHE A 138 -0.319 -17.752 17.953 1.00 0.00 C ATOM 877 CE2 PHE A 138 1.229 -16.768 19.538 1.00 0.00 C ATOM 878 CZ PHE A 138 0.095 -17.545 19.275 1.00 0.00 C ATOM 879 H PHE A 138 0.960 -13.633 15.413 1.00 0.00 H ATOM 880 N LYS A 139 3.775 -13.078 14.628 1.00 0.00 N ATOM 881 CA LYS A 139 4.872 -12.628 13.782 1.00 0.00 C ATOM 882 C LYS A 139 5.974 -12.005 14.634 1.00 0.00 C ATOM 883 O LYS A 139 7.159 -12.240 14.393 1.00 0.00 O ATOM 884 CB LYS A 139 4.361 -11.604 12.767 1.00 0.00 C ATOM 885 CG LYS A 139 5.451 -11.331 11.729 1.00 0.00 C ATOM 886 CD LYS A 139 5.456 -12.462 10.697 1.00 0.00 C ATOM 887 CE LYS A 139 6.574 -12.226 9.679 1.00 0.00 C ATOM 888 NZ LYS A 139 7.809 -12.939 10.117 1.00 0.00 N ATOM 889 HZ1 LYS A 139 8.105 -12.578 11.046 1.00 0.00 H ATOM 890 HZ2 LYS A 139 7.613 -13.958 10.186 1.00 0.00 H ATOM 891 HZ3 LYS A 139 8.566 -12.776 9.423 1.00 0.00 H ATOM 892 H LYS A 139 2.826 -12.673 14.494 1.00 0.00 H ATOM 893 N ARG A 140 5.577 -11.215 15.635 1.00 0.00 N ATOM 894 CA ARG A 140 6.545 -10.569 16.516 1.00 0.00 C ATOM 895 C ARG A 140 7.661 -9.929 15.704 1.00 0.00 C ATOM 896 O ARG A 140 7.757 -10.116 14.492 1.00 0.00 O ATOM 897 CB ARG A 140 7.137 -11.597 17.477 1.00 0.00 C ATOM 898 CG ARG A 140 6.231 -11.745 18.702 1.00 0.00 C ATOM 899 CD ARG A 140 6.628 -10.717 19.760 1.00 0.00 C ATOM 900 NE ARG A 140 5.914 -10.975 21.006 1.00 0.00 N ATOM 901 CZ ARG A 140 6.159 -10.259 22.099 1.00 0.00 C ATOM 902 NH1 ARG A 140 7.050 -9.307 22.068 1.00 0.00 N ATOM 903 NH2 ARG A 140 5.510 -10.510 23.203 1.00 0.00 N ATOM 904 HE ARG A 140 5.201 -11.732 21.040 1.00 0.00 H ATOM 905 HH12 ARG A 140 7.242 -8.747 22.923 1.00 0.00 H ATOM 906 HH11 ARG A 140 7.568 -9.108 21.189 1.00 0.00 H ATOM 907 HH22 ARG A 140 5.702 -9.950 24.058 1.00 0.00 H ATOM 908 HH21 ARG A 140 4.801 -11.270 23.228 1.00 0.00 H ATOM 909 H ARG A 140 4.561 -11.057 15.789 1.00 0.00 H ATOM 910 N PRO A 141 8.494 -9.175 16.352 1.00 0.00 N ATOM 911 CA PRO A 141 9.636 -8.479 15.698 1.00 0.00 C ATOM 912 C PRO A 141 10.675 -9.461 15.169 1.00 0.00 C ATOM 913 O PRO A 141 11.476 -10.007 15.930 1.00 0.00 O ATOM 914 CB PRO A 141 10.223 -7.609 16.819 1.00 0.00 C ATOM 915 CG PRO A 141 9.185 -7.578 17.895 1.00 0.00 C ATOM 916 CD PRO A 141 8.440 -8.899 17.782 1.00 0.00 C ATOM 917 N THR A 142 10.661 -9.677 13.859 1.00 0.00 N ATOM 918 CA THR A 142 11.610 -10.592 13.232 1.00 0.00 C ATOM 919 C THR A 142 11.788 -10.252 11.755 1.00 0.00 C ATOM 920 O THR A 142 10.871 -9.741 11.112 1.00 0.00 O ATOM 921 CB THR A 142 11.120 -12.033 13.375 1.00 0.00 C ATOM 922 OG1 THR A 142 12.082 -12.917 12.814 1.00 0.00 O ATOM 923 CG2 THR A 142 9.790 -12.194 12.647 1.00 0.00 C ATOM 924 HG1 THR A 142 11.765 -13.850 12.907 1.00 0.00 H ATOM 925 H THR A 142 9.961 -9.185 13.268 1.00 0.00 H ATOM 926 N LEU A 143 12.972 -10.538 11.225 1.00 0.00 N ATOM 927 CA LEU A 143 13.256 -10.257 9.822 1.00 0.00 C ATOM 928 C LEU A 143 12.788 -8.854 9.452 1.00 0.00 C ATOM 929 O LEU A 143 12.533 -8.563 8.284 1.00 0.00 O ATOM 930 CB LEU A 143 12.552 -11.283 8.930 1.00 0.00 C ATOM 931 CG LEU A 143 13.569 -12.307 8.428 1.00 0.00 C ATOM 932 CD1 LEU A 143 14.707 -11.583 7.706 1.00 0.00 C ATOM 933 CD2 LEU A 143 14.136 -13.088 9.617 1.00 0.00 C ATOM 934 H LEU A 143 13.708 -10.969 11.820 1.00 0.00 H ATOM 935 N ARG A 144 12.679 -7.990 10.454 1.00 0.00 N ATOM 936 CA ARG A 144 12.239 -6.620 10.220 1.00 0.00 C ATOM 937 C ARG A 144 12.339 -5.796 11.495 1.00 0.00 C ATOM 938 O ARG A 144 12.874 -4.690 11.484 1.00 0.00 O ATOM 939 CB ARG A 144 10.796 -6.611 9.718 1.00 0.00 C ATOM 940 CG ARG A 144 10.689 -5.701 8.494 1.00 0.00 C ATOM 941 CD ARG A 144 9.982 -6.448 7.363 1.00 0.00 C ATOM 942 NE ARG A 144 10.276 -5.819 6.081 1.00 0.00 N ATOM 943 CZ ARG A 144 9.838 -6.341 4.941 1.00 0.00 C ATOM 944 NH1 ARG A 144 9.129 -7.437 4.957 1.00 0.00 N ATOM 945 NH2 ARG A 144 10.116 -5.761 3.807 1.00 0.00 N ATOM 946 HE ARG A 144 10.839 -4.945 6.059 1.00 0.00 H ATOM 947 HH12 ARG A 144 8.785 -7.847 4.065 1.00 0.00 H ATOM 948 HH11 ARG A 144 8.908 -7.900 5.862 1.00 0.00 H ATOM 949 HH22 ARG A 144 9.772 -6.171 2.915 1.00 0.00 H ATOM 950 HH21 ARG A 144 10.682 -4.888 3.794 1.00 0.00 H ATOM 951 H ARG A 144 12.911 -8.295 11.421 1.00 0.00 H ATOM 952 N ARG A 145 11.812 -6.342 12.589 1.00 0.00 N ATOM 953 CA ARG A 145 11.840 -5.648 13.873 1.00 0.00 C ATOM 954 C ARG A 145 10.881 -4.464 13.870 1.00 0.00 C ATOM 955 O ARG A 145 10.579 -3.895 14.919 1.00 0.00 O ATOM 956 CB ARG A 145 13.260 -5.161 14.176 1.00 0.00 C ATOM 957 CG ARG A 145 13.226 -4.195 15.359 1.00 0.00 C ATOM 958 CD ARG A 145 14.654 -3.935 15.838 1.00 0.00 C ATOM 959 NE ARG A 145 15.208 -5.144 16.435 1.00 0.00 N ATOM 960 CZ ARG A 145 16.458 -5.182 16.882 1.00 0.00 C ATOM 961 NH1 ARG A 145 17.215 -4.123 16.793 1.00 0.00 N ATOM 962 NH2 ARG A 145 16.928 -6.278 17.410 1.00 0.00 N ATOM 963 HE ARG A 145 14.613 -5.993 16.512 1.00 0.00 H ATOM 964 HH12 ARG A 145 18.194 -4.153 17.143 1.00 0.00 H ATOM 965 HH11 ARG A 145 16.840 -3.249 16.372 1.00 0.00 H ATOM 966 HH22 ARG A 145 17.907 -6.308 17.760 1.00 0.00 H ATOM 967 HH21 ARG A 145 16.324 -7.122 17.481 1.00 0.00 H ATOM 968 H ARG A 145 11.371 -7.282 12.528 1.00 0.00 H ATOM 969 N VAL A 146 10.403 -4.098 12.687 1.00 0.00 N ATOM 970 CA VAL A 146 9.477 -2.982 12.561 1.00 0.00 C ATOM 971 C VAL A 146 8.200 -3.421 11.852 1.00 0.00 C ATOM 972 O VAL A 146 8.247 -3.992 10.763 1.00 0.00 O ATOM 973 CB VAL A 146 10.138 -1.849 11.778 1.00 0.00 C ATOM 974 CG1 VAL A 146 9.150 -0.692 11.619 1.00 0.00 C ATOM 975 CG2 VAL A 146 11.374 -1.361 12.535 1.00 0.00 C ATOM 976 H VAL A 146 10.695 -4.618 11.835 1.00 0.00 H ATOM 977 N ARG A 147 7.060 -3.146 12.475 1.00 0.00 N ATOM 978 CA ARG A 147 5.773 -3.513 11.895 1.00 0.00 C ATOM 979 C ARG A 147 4.876 -2.288 11.736 1.00 0.00 C ATOM 980 O ARG A 147 4.632 -1.556 12.696 1.00 0.00 O ATOM 981 CB ARG A 147 5.074 -4.539 12.787 1.00 0.00 C ATOM 982 CG ARG A 147 5.381 -5.951 12.289 1.00 0.00 C ATOM 983 CD ARG A 147 4.388 -6.332 11.194 1.00 0.00 C ATOM 984 NE ARG A 147 4.949 -6.054 9.878 1.00 0.00 N ATOM 985 CZ ARG A 147 4.210 -6.160 8.779 1.00 0.00 C ATOM 986 NH1 ARG A 147 2.956 -6.519 8.865 1.00 0.00 N ATOM 987 NH2 ARG A 147 4.737 -5.908 7.613 1.00 0.00 N ATOM 988 HE ARG A 147 5.946 -5.768 9.798 1.00 0.00 H ATOM 989 HH12 ARG A 147 2.379 -6.602 8.004 1.00 0.00 H ATOM 990 HH11 ARG A 147 2.536 -6.722 9.794 1.00 0.00 H ATOM 991 HH22 ARG A 147 4.159 -5.991 6.752 1.00 0.00 H ATOM 992 HH21 ARG A 147 5.735 -5.624 7.544 1.00 0.00 H ATOM 993 H ARG A 147 7.085 -2.660 13.394 1.00 0.00 H ATOM 994 N ILE A 148 4.381 -2.074 10.520 1.00 0.00 N ATOM 995 CA ILE A 148 3.503 -0.943 10.249 1.00 0.00 C ATOM 996 C ILE A 148 2.130 -1.434 9.810 1.00 0.00 C ATOM 997 O ILE A 148 2.009 -2.151 8.817 1.00 0.00 O ATOM 998 CB ILE A 148 4.104 -0.060 9.158 1.00 0.00 C ATOM 999 CG1 ILE A 148 5.493 0.406 9.599 1.00 0.00 C ATOM 1000 CG2 ILE A 148 3.201 1.157 8.930 1.00 0.00 C ATOM 1001 CD1 ILE A 148 6.530 -0.673 9.278 1.00 0.00 C ATOM 1002 H ILE A 148 4.625 -2.726 9.748 1.00 0.00 H ATOM 1003 N SER A 149 1.094 -1.047 10.550 1.00 0.00 N ATOM 1004 CA SER A 149 -0.260 -1.466 10.216 1.00 0.00 C ATOM 1005 C SER A 149 -0.770 -0.690 9.009 1.00 0.00 C ATOM 1006 O SER A 149 -0.583 0.522 8.914 1.00 0.00 O ATOM 1007 CB SER A 149 -1.183 -1.223 11.401 1.00 0.00 C ATOM 1008 OG SER A 149 -0.679 -1.916 12.540 1.00 0.00 O ATOM 1009 HG SER A 149 -1.278 -1.759 13.312 1.00 0.00 H ATOM 1010 H SER A 149 1.253 -0.437 11.377 1.00 0.00 H ATOM 1011 N ALA A 150 -1.421 -1.393 8.097 1.00 0.00 N ATOM 1012 CA ALA A 150 -1.956 -0.757 6.902 1.00 0.00 C ATOM 1013 C ALA A 150 -2.994 0.291 7.286 1.00 0.00 C ATOM 1014 O ALA A 150 -2.985 1.403 6.765 1.00 0.00 O ATOM 1015 CB ALA A 150 -2.600 -1.809 5.990 1.00 0.00 C ATOM 1016 H ALA A 150 -1.553 -2.415 8.236 1.00 0.00 H ATOM 1017 N ASP A 151 -3.871 -0.062 8.217 1.00 0.00 N ATOM 1018 CA ASP A 151 -4.897 0.869 8.667 1.00 0.00 C ATOM 1019 C ASP A 151 -4.256 2.132 9.223 1.00 0.00 C ATOM 1020 O ASP A 151 -4.675 3.246 8.905 1.00 0.00 O ATOM 1021 CB ASP A 151 -5.757 0.209 9.745 1.00 0.00 C ATOM 1022 CG ASP A 151 -4.922 -0.781 10.548 1.00 0.00 C ATOM 1023 OD1 ASP A 151 -4.825 -1.921 10.125 1.00 0.00 O ATOM 1024 OD2 ASP A 151 -4.392 -0.384 11.571 1.00 0.00 O ATOM 1025 H ASP A 151 -3.825 -1.015 8.631 1.00 0.00 H ATOM 1026 N ALA A 152 -3.232 1.951 10.045 1.00 0.00 N ATOM 1027 CA ALA A 152 -2.528 3.083 10.635 1.00 0.00 C ATOM 1028 C ALA A 152 -1.892 3.942 9.543 1.00 0.00 C ATOM 1029 O ALA A 152 -1.949 5.171 9.590 1.00 0.00 O ATOM 1030 CB ALA A 152 -1.448 2.579 11.594 1.00 0.00 C ATOM 1031 H ALA A 152 -2.925 0.984 10.273 1.00 0.00 H ATOM 1032 N MET A 153 -1.297 3.280 8.557 1.00 0.00 N ATOM 1033 CA MET A 153 -0.662 3.981 7.444 1.00 0.00 C ATOM 1034 C MET A 153 -1.689 4.758 6.621 1.00 0.00 C ATOM 1035 O MET A 153 -1.444 5.895 6.217 1.00 0.00 O ATOM 1036 CB MET A 153 0.064 2.989 6.544 1.00 0.00 C ATOM 1037 CG MET A 153 0.715 3.758 5.397 1.00 0.00 C ATOM 1038 SD MET A 153 -0.375 3.739 3.954 1.00 0.00 S ATOM 1039 CE MET A 153 0.423 2.368 3.089 1.00 0.00 C ATOM 1040 H MET A 153 -1.283 2.240 8.578 1.00 0.00 H ATOM 1041 N MET A 154 -2.834 4.130 6.365 1.00 0.00 N ATOM 1042 CA MET A 154 -3.880 4.767 5.572 1.00 0.00 C ATOM 1043 C MET A 154 -4.361 6.037 6.261 1.00 0.00 C ATOM 1044 O MET A 154 -4.574 7.059 5.613 1.00 0.00 O ATOM 1045 CB MET A 154 -5.055 3.807 5.390 1.00 0.00 C ATOM 1046 CG MET A 154 -4.589 2.599 4.580 1.00 0.00 C ATOM 1047 SD MET A 154 -3.906 3.142 2.996 1.00 0.00 S ATOM 1048 CE MET A 154 -5.471 3.572 2.207 1.00 0.00 C ATOM 1049 H MET A 154 -2.986 3.170 6.736 1.00 0.00 H ATOM 1050 N GLN A 155 -4.511 5.967 7.579 1.00 0.00 N ATOM 1051 CA GLN A 155 -4.942 7.131 8.350 1.00 0.00 C ATOM 1052 C GLN A 155 -3.917 8.251 8.236 1.00 0.00 C ATOM 1053 O GLN A 155 -4.272 9.426 8.149 1.00 0.00 O ATOM 1054 CB GLN A 155 -5.134 6.761 9.814 1.00 0.00 C ATOM 1055 CG GLN A 155 -6.630 6.681 10.111 1.00 0.00 C ATOM 1056 CD GLN A 155 -7.297 8.013 9.783 1.00 0.00 C ATOM 1057 OE1 GLN A 155 -7.207 8.964 10.559 1.00 0.00 O ATOM 1058 NE2 GLN A 155 -7.960 8.143 8.667 1.00 0.00 N ATOM 1059 HE22 GLN A 155 -8.036 7.340 8.011 1.00 0.00 H ATOM 1060 HE21 GLN A 155 -8.412 9.050 8.433 1.00 0.00 H ATOM 1061 H GLN A 155 -4.319 5.070 8.069 1.00 0.00 H ATOM 1062 N ALA A 156 -2.641 7.880 8.235 1.00 0.00 N ATOM 1063 CA ALA A 156 -1.569 8.862 8.129 1.00 0.00 C ATOM 1064 C ALA A 156 -1.665 9.611 6.806 1.00 0.00 C ATOM 1065 O ALA A 156 -1.454 10.824 6.749 1.00 0.00 O ATOM 1066 CB ALA A 156 -0.208 8.164 8.221 1.00 0.00 C ATOM 1067 H ALA A 156 -2.403 6.871 8.311 1.00 0.00 H ATOM 1068 N LEU A 157 -1.978 8.880 5.739 1.00 0.00 N ATOM 1069 CA LEU A 157 -2.089 9.487 4.420 1.00 0.00 C ATOM 1070 C LEU A 157 -3.438 10.190 4.263 1.00 0.00 C ATOM 1071 O LEU A 157 -3.509 11.308 3.751 1.00 0.00 O ATOM 1072 CB LEU A 157 -1.950 8.415 3.346 1.00 0.00 C ATOM 1073 CG LEU A 157 -0.699 7.587 3.628 1.00 0.00 C ATOM 1074 CD1 LEU A 157 -0.535 6.541 2.541 1.00 0.00 C ATOM 1075 CD2 LEU A 157 0.539 8.483 3.646 1.00 0.00 C ATOM 1076 H LEU A 157 -2.146 7.860 5.849 1.00 0.00 H ATOM 1077 N LEU A 158 -4.503 9.523 4.707 1.00 0.00 N ATOM 1078 CA LEU A 158 -5.843 10.083 4.616 1.00 0.00 C ATOM 1079 C LEU A 158 -5.980 11.292 5.532 1.00 0.00 C ATOM 1080 O LEU A 158 -6.622 12.282 5.182 1.00 0.00 O ATOM 1081 CB LEU A 158 -6.878 9.022 4.996 1.00 0.00 C ATOM 1082 CG LEU A 158 -6.907 7.928 3.930 1.00 0.00 C ATOM 1083 CD1 LEU A 158 -7.816 6.787 4.388 1.00 0.00 C ATOM 1084 CD2 LEU A 158 -7.438 8.504 2.614 1.00 0.00 C ATOM 1085 H LEU A 158 -4.373 8.581 5.128 1.00 0.00 H ATOM 1086 N GLY A 159 -5.375 11.198 6.710 1.00 0.00 N ATOM 1087 CA GLY A 159 -5.436 12.282 7.678 1.00 0.00 C ATOM 1088 C GLY A 159 -4.547 13.444 7.251 1.00 0.00 C ATOM 1089 O GLY A 159 -3.433 13.603 7.751 1.00 0.00 O ATOM 1090 H GLY A 159 -4.848 10.333 6.945 1.00 0.00 H ATOM 1091 N ALA A 160 -5.049 14.252 6.323 1.00 0.00 N ATOM 1092 CA ALA A 160 -4.292 15.398 5.833 1.00 0.00 C ATOM 1093 C ALA A 160 -5.234 16.522 5.409 1.00 0.00 C ATOM 1094 O ALA A 160 -4.797 17.547 4.888 1.00 0.00 O ATOM 1095 CB ALA A 160 -3.426 14.978 4.646 1.00 0.00 C ATOM 1096 H ALA A 160 -5.997 14.064 5.940 1.00 0.00 H ATOM 1097 N ARG A 161 -6.527 16.318 5.636 1.00 0.00 N ATOM 1098 CA ARG A 161 -7.524 17.321 5.275 1.00 0.00 C ATOM 1099 C ARG A 161 -8.255 17.821 6.516 1.00 0.00 C ATOM 1100 O ARG A 161 -7.695 18.570 7.318 1.00 0.00 O ATOM 1101 CB ARG A 161 -8.529 16.722 4.287 1.00 0.00 C ATOM 1102 CG ARG A 161 -8.707 15.231 4.586 1.00 0.00 C ATOM 1103 CD ARG A 161 -9.759 14.642 3.645 1.00 0.00 C ATOM 1104 NE ARG A 161 -9.446 14.984 2.260 1.00 0.00 N ATOM 1105 CZ ARG A 161 -10.208 15.825 1.560 1.00 0.00 C ATOM 1106 NH1 ARG A 161 -11.265 16.370 2.103 1.00 0.00 N ATOM 1107 NH2 ARG A 161 -9.897 16.109 0.325 1.00 0.00 N ATOM 1108 HE ARG A 161 -8.609 14.562 1.809 1.00 0.00 H ATOM 1109 HH12 ARG A 161 -11.854 17.025 1.550 1.00 0.00 H ATOM 1110 HH11 ARG A 161 -11.517 16.149 3.088 1.00 0.00 H ATOM 1111 HH22 ARG A 161 -10.490 16.765 -0.223 1.00 0.00 H ATOM 1112 HH21 ARG A 161 -9.056 15.680 -0.111 1.00 0.00 H ATOM 1113 H ARG A 161 -6.834 15.428 6.079 1.00 0.00 H ATOM 1114 N ALA A 162 -9.505 17.404 6.665 1.00 0.00 N ATOM 1115 CA ALA A 162 -10.311 17.812 7.811 1.00 0.00 C ATOM 1116 C ALA A 162 -10.057 16.896 9.004 1.00 0.00 C ATOM 1117 O ALA A 162 -9.595 15.766 8.843 1.00 0.00 O ATOM 1118 CB ALA A 162 -11.795 17.779 7.446 1.00 0.00 C ATOM 1119 H ALA A 162 -9.920 16.773 5.950 1.00 0.00 H ATOM 1120 N LYS A 163 -10.361 17.390 10.200 1.00 0.00 N ATOM 1121 CA LYS A 163 -10.160 16.603 11.411 1.00 0.00 C ATOM 1122 C LYS A 163 -8.735 16.064 11.478 1.00 0.00 C ATOM 1123 O LYS A 163 -7.823 16.613 10.860 1.00 0.00 O ATOM 1124 CB LYS A 163 -11.154 15.439 11.441 1.00 0.00 C ATOM 1125 CG LYS A 163 -12.151 15.644 12.585 1.00 0.00 C ATOM 1126 CD LYS A 163 -13.426 14.848 12.302 1.00 0.00 C ATOM 1127 CE LYS A 163 -13.094 13.356 12.213 1.00 0.00 C ATOM 1128 NZ LYS A 163 -14.345 12.582 11.977 1.00 0.00 N ATOM 1129 HZ1 LYS A 163 -15.005 12.744 12.764 1.00 0.00 H ATOM 1130 HZ2 LYS A 163 -14.782 12.894 11.086 1.00 0.00 H ATOM 1131 HZ3 LYS A 163 -14.118 11.569 11.917 1.00 0.00 H ATOM 1132 H LYS A 163 -10.748 18.352 10.273 1.00 0.00 H ATOM 1133 N GLY A 164 -8.554 14.984 12.231 1.00 0.00 N ATOM 1134 CA GLY A 164 -7.237 14.376 12.378 1.00 0.00 C ATOM 1135 C GLY A 164 -6.563 14.827 13.670 1.00 0.00 C ATOM 1136 O GLY A 164 -5.558 14.254 14.089 1.00 0.00 O ATOM 1137 H GLY A 164 -9.367 14.564 12.725 1.00 0.00 H ATOM 1138 N HIS A 165 -7.125 15.853 14.301 1.00 0.00 N ATOM 1139 CA HIS A 165 -6.570 16.366 15.548 1.00 0.00 C ATOM 1140 C HIS A 165 -6.881 15.417 16.704 1.00 0.00 C ATOM 1141 O HIS A 165 -6.047 15.200 17.584 1.00 0.00 O ATOM 1142 CB HIS A 165 -7.150 17.749 15.847 1.00 0.00 C ATOM 1143 CG HIS A 165 -6.080 18.618 16.449 1.00 0.00 C ATOM 1144 ND1 HIS A 165 -4.793 18.157 16.678 1.00 0.00 N ATOM 1145 CD2 HIS A 165 -6.090 19.926 16.866 1.00 0.00 C ATOM 1146 CE1 HIS A 165 -4.086 19.172 17.207 1.00 0.00 C ATOM 1147 NE2 HIS A 165 -4.828 20.274 17.343 1.00 0.00 N ATOM 1148 H HIS A 165 -7.975 16.297 13.899 1.00 0.00 H ATOM 1149 N HIS A 166 -8.088 14.858 16.697 1.00 0.00 N ATOM 1150 CA HIS A 166 -8.499 13.937 17.751 1.00 0.00 C ATOM 1151 C HIS A 166 -9.254 12.750 17.162 1.00 0.00 C ATOM 1152 O HIS A 166 -10.262 12.308 17.715 1.00 0.00 O ATOM 1153 CB HIS A 166 -9.391 14.665 18.759 1.00 0.00 C ATOM 1154 CG HIS A 166 -9.418 13.900 20.054 1.00 0.00 C ATOM 1155 ND1 HIS A 166 -10.181 12.756 20.222 1.00 0.00 N ATOM 1156 CD2 HIS A 166 -8.777 14.102 21.250 1.00 0.00 C ATOM 1157 CE1 HIS A 166 -9.984 12.317 21.478 1.00 0.00 C ATOM 1158 NE2 HIS A 166 -9.136 13.101 22.149 1.00 0.00 N ATOM 1159 H HIS A 166 -8.750 15.081 15.927 1.00 0.00 H ATOM 1160 N HIS A 167 -8.763 12.236 16.039 1.00 0.00 N ATOM 1161 CA HIS A 167 -9.403 11.098 15.390 1.00 0.00 C ATOM 1162 C HIS A 167 -10.917 11.165 15.566 1.00 0.00 C ATOM 1163 O HIS A 167 -11.603 11.884 14.839 1.00 0.00 O ATOM 1164 CB HIS A 167 -8.875 9.792 15.984 1.00 0.00 C ATOM 1165 CG HIS A 167 -7.481 9.539 15.477 1.00 0.00 C ATOM 1166 ND1 HIS A 167 -7.237 8.861 14.292 1.00 0.00 N ATOM 1167 CD2 HIS A 167 -6.246 9.867 15.981 1.00 0.00 C ATOM 1168 CE1 HIS A 167 -5.903 8.803 14.124 1.00 0.00 C ATOM 1169 NE2 HIS A 167 -5.251 9.401 15.126 1.00 0.00 N ATOM 1170 H HIS A 167 -7.909 12.652 15.616 1.00 0.00 H ATOM 1171 N HIS A 168 -11.431 10.410 16.531 1.00 0.00 N ATOM 1172 CA HIS A 168 -12.866 10.394 16.788 1.00 0.00 C ATOM 1173 C HIS A 168 -13.627 9.966 15.539 1.00 0.00 C ATOM 1174 O HIS A 168 -14.045 10.803 14.739 1.00 0.00 O ATOM 1175 CB HIS A 168 -13.335 11.783 17.226 1.00 0.00 C ATOM 1176 CG HIS A 168 -14.733 11.690 17.769 1.00 0.00 C ATOM 1177 ND1 HIS A 168 -15.847 11.660 16.943 1.00 0.00 N ATOM 1178 CD2 HIS A 168 -15.219 11.620 19.052 1.00 0.00 C ATOM 1179 CE1 HIS A 168 -16.935 11.575 17.729 1.00 0.00 C ATOM 1180 NE2 HIS A 168 -16.608 11.547 19.024 1.00 0.00 N ATOM 1181 H HIS A 168 -10.800 9.822 17.112 1.00 0.00 H ATOM 1182 N HIS A 169 -13.798 8.658 15.374 1.00 0.00 N ATOM 1183 CA HIS A 169 -14.507 8.129 14.213 1.00 0.00 C ATOM 1184 C HIS A 169 -13.631 8.211 12.968 1.00 0.00 C ATOM 1185 O HIS A 169 -14.112 8.521 11.878 1.00 0.00 O ATOM 1186 CB HIS A 169 -15.800 8.918 13.985 1.00 0.00 C ATOM 1187 CG HIS A 169 -16.983 8.049 14.305 1.00 0.00 C ATOM 1188 ND1 HIS A 169 -17.663 7.341 13.327 1.00 0.00 N ATOM 1189 CD2 HIS A 169 -17.619 7.761 15.487 1.00 0.00 C ATOM 1190 CE1 HIS A 169 -18.659 6.669 13.931 1.00 0.00 C ATOM 1191 NE2 HIS A 169 -18.678 6.890 15.249 1.00 0.00 N ATOM 1192 H HIS A 169 -13.420 8.000 16.085 1.00 0.00 H ATOM 1193 N HIS A 170 -12.344 7.927 13.138 1.00 0.00 N ATOM 1194 CA HIS A 170 -11.408 7.966 12.020 1.00 0.00 C ATOM 1195 C HIS A 170 -11.013 6.554 11.606 1.00 0.00 C ATOM 1196 O HIS A 170 -9.961 6.106 12.032 1.00 0.00 O ATOM 1197 CB HIS A 170 -10.157 8.755 12.410 1.00 0.00 C ATOM 1198 CG HIS A 170 -10.080 10.010 11.585 1.00 0.00 C ATOM 1199 ND1 HIS A 170 -10.012 9.982 10.202 1.00 0.00 N ATOM 1200 CD2 HIS A 170 -10.056 11.337 11.935 1.00 0.00 C ATOM 1201 CE1 HIS A 170 -9.952 11.255 9.772 1.00 0.00 C ATOM 1202 NE2 HIS A 170 -9.975 12.122 10.787 1.00 0.00 N ATOM 1203 OXT HIS A 170 -11.766 5.940 10.868 1.00 0.00 O ATOM 1204 H HIS A 170 -11.998 7.672 14.085 1.00 0.00 H TER 1205 HIS A 170 HETATM 1206 CA CA A 1 3.318 -3.808 -9.819 1.00 0.00 CA HETATM 1207 S1 WW A 7 4.690 -2.690 5.310 1.00 0.07 S HETATM 1208 O1 WW A 7 5.554 -2.255 6.504 1.00 -0.15 O HETATM 1209 O2 WW A 7 5.544 -3.623 4.437 1.00 -0.15 O HETATM 1210 N1 WW A 7 3.388 -3.513 5.863 1.00 -0.25 N HETATM 1211 C11 WW A 7 2.606 -4.074 4.746 1.00 0.03 C HETATM 1212 C12 WW A 7 1.113 -4.039 5.072 1.00 -0.04 C HETATM 1213 C13 WW A 7 0.497 -5.416 4.836 1.00 -0.05 C HETATM 1214 C14 WW A 7 0.490 -6.216 6.145 1.00 -0.05 C HETATM 1215 C15 WW A 7 -0.865 -6.072 6.836 1.00 -0.01 C HETATM 1216 C16 WW A 7 -0.681 -5.402 8.198 1.00 -0.04 C HETATM 1217 N2 WW A 7 -1.408 -6.135 9.242 1.00 0.22 N HETATM 1218 H20 WW A 7 -1.273 -5.677 10.130 1.00 0.20 H HETATM 1219 H21 WW A 7 -1.059 -7.079 9.295 1.00 0.20 H HETATM 1220 H22 WW A 7 -2.391 -6.152 9.018 1.00 0.20 H HETATM 1221 H18 WW A 7 -1.063 -4.372 8.148 1.00 0.08 H HETATM 1222 H19 WW A 7 0.390 -5.384 8.449 1.00 0.08 H HETATM 1223 H16 WW A 7 -1.312 -7.067 6.976 1.00 0.03 H HETATM 1224 H17 WW A 7 -1.530 -5.456 6.213 1.00 0.03 H HETATM 1225 H12 WW A 7 1.280 -5.836 6.809 1.00 0.03 H HETATM 1226 H13 WW A 7 0.676 -7.277 5.925 1.00 0.03 H HETATM 1227 H14 WW A 7 1.088 -5.956 4.082 1.00 0.03 H HETATM 1228 H15 WW A 7 -0.535 -5.297 4.476 1.00 0.03 H HETATM 1229 H10 WW A 7 0.616 -3.301 4.425 1.00 0.03 H HETATM 1230 H11 WW A 7 0.976 -3.754 6.126 1.00 0.03 H HETATM 1231 H8 WW A 7 2.915 -5.115 4.574 1.00 0.05 H HETATM 1232 H9 WW A 7 2.793 -3.481 3.838 1.00 0.05 H HETATM 1233 H1 WW A 7 3.154 -3.621 6.829 1.00 0.17 H HETATM 1234 C1 WW A 7 4.137 -1.232 4.427 1.00 0.12 C HETATM 1235 C2 WW A 7 3.704 -0.147 5.189 1.00 -0.03 C HETATM 1236 C3 WW A 7 3.259 1.009 4.576 1.00 -0.06 C HETATM 1237 C4 WW A 7 3.237 1.109 3.188 1.00 -0.05 C HETATM 1238 C10 WW A 7 3.664 0.034 2.384 1.00 -0.00 C HETATM 1239 C9 WW A 7 4.116 -1.139 3.009 1.00 0.01 C HETATM 1240 C8 WW A 7 4.539 -2.203 2.226 1.00 -0.05 C HETATM 1241 C7 WW A 7 4.520 -2.132 0.846 1.00 -0.06 C HETATM 1242 C6 WW A 7 4.088 -0.997 0.211 1.00 -0.05 C HETATM 1243 C5 WW A 7 3.655 0.100 0.946 1.00 0.05 C HETATM 1244 CL1 WW A 7 3.116 1.500 0.053 1.00 -0.07 CL HETATM 1245 H5 WW A 7 4.084 -0.955 -0.872 1.00 0.06 H HETATM 1246 H6 WW A 7 4.850 -2.982 0.260 1.00 0.06 H HETATM 1247 H7 WW A 7 4.892 -3.108 2.706 1.00 0.06 H HETATM 1248 H2 WW A 7 2.888 2.023 2.721 1.00 0.06 H HETATM 1249 H3 WW A 7 2.925 1.844 5.181 1.00 0.06 H HETATM 1250 H4 WW A 7 3.717 -0.211 6.271 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 612 611 1206 CONECT 644 643 645 1206 CONECT 706 705 1206 CONECT 707 705 1206 CONECT 1206 612 644 706 707 CONECT 1207 1208 1209 1210 1234 CONECT 1208 1207 CONECT 1209 1207 CONECT 1210 1207 1211 1233 CONECT 1211 1210 1212 1231 1232 CONECT 1212 1211 1213 1229 1230 CONECT 1213 1212 1214 1227 1228 CONECT 1214 1213 1215 1225 1226 CONECT 1215 1214 1216 1223 1224 CONECT 1216 1215 1217 1221 1222 CONECT 1217 1216 1218 1219 1220 CONECT 1218 1217 CONECT 1219 1217 CONECT 1220 1217 CONECT 1221 1216 CONECT 1222 1216 CONECT 1223 1215 CONECT 1224 1215 CONECT 1225 1214 CONECT 1226 1214 CONECT 1227 1213 CONECT 1228 1213 CONECT 1229 1212 CONECT 1230 1212 CONECT 1231 1211 CONECT 1232 1211 CONECT 1233 1210 CONECT 1234 1207 1235 1239 CONECT 1235 1234 1236 1250 CONECT 1236 1235 1237 1249 CONECT 1237 1236 1238 1248 CONECT 1238 1237 1239 1243 CONECT 1239 1234 1238 1240 CONECT 1240 1239 1241 1247 CONECT 1241 1240 1242 1246 CONECT 1242 1241 1243 1245 CONECT 1243 1238 1242 1244 CONECT 1244 1243 CONECT 1245 1242 CONECT 1246 1241 CONECT 1247 1240 CONECT 1248 1237 CONECT 1249 1236 CONECT 1250 1235 MASTER 0 0 0 0 0 0 0 0 1249 1 53 10 END
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Structure:
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Related entries of code: 6mv3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1lxf
RCSB PDB
PDBbind
17aa, >1LXF_2|Chain... at 100%
1mxl
RCSB PDB
PDBbind
17aa, >1MXL_2|Chain... at 100%
2kfx
RCSB PDB
PDBbind
89aa, >2KFX_1|Chain... at 100%
2krd
RCSB PDB
PDBbind
17aa, >2KRD_2|Chain... at 100%
2l1r
RCSB PDB
PDBbind
20aa, >2L1R_2|Chain... at 100%
5w88
RCSB PDB
PDBbind
120aa, >5W88_1|Chain... at 100%
5wcl
RCSB PDB
PDBbind
120aa, >5WCL_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2kfx
RCSB PDB
PDBbind
WW7
Entry Information
PDB ID
6mv3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cNTnC-cTnI
Ligand Name
WW7
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=470uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Biochemistry Vol. 57: pp. 6461-6469
Ligand Properties
Formula
C
1
6
H
2
2
ClN
2
O
2
S
Molecular Weight
341.876
Exact Mass
341.109
No. of atoms
44
No. of bonds
45
Polar Surface Area
82.19
LOGP Value
3.25 (
Computed with XLOGP3
)
4.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
[NH3+]CCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl
InChI String
InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2/p+1
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):
P19429
P63316
Entrez Gene ID
NCBI Entrez Gene ID:
7137
7134
ASD
Information of known allosteric effects of PDB entries
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