Browse entries in the PDBbind-CN Database
HEADER 5J7J_COMPLEX COMPND 5J7J_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 144 LEU THR GLU GLU GLN ILE ALA GLU PHE LYS GLU ALA PHE SEQRES 2 A 144 SER LEU PHE ASP LYS ASP GLY ASP GLY THR ILE THR THR SEQRES 3 A 144 LYS GLU LEU GLY THR VAL MET ARG SER LEU GLY GLN ASN SEQRES 4 A 144 PRO THR GLU ALA GLU LEU GLN ASP MET ILE ASN GLU VAL SEQRES 5 A 144 ASP ALA ASP GLY ASN GLY THR ILE ASP PHE PRO GLU PHE SEQRES 6 A 144 LEU THR MET MET ALA ARG LYS MET LYS ASP THR ASP SER SEQRES 7 A 144 GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL PHE ASP LYS SEQRES 8 A 144 ASP GLY ASN GLY TYR ILE SER ALA ALA GLU LEU ARG HIS SEQRES 9 A 144 VAL MET THR ASN LEU GLY GLU LYS LEU THR ASP GLU GLU SEQRES 10 A 144 VAL ASP GLU MET ILE ARG GLU ALA ASP ILE ASP GLY ASP SEQRES 11 A 144 GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN MET MET THR SEQRES 12 A 144 ALA HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET MET A 149 319 ATOM 1 N LEU A 4 -7.427 -18.999 -6.419 1.00 10.00 N ATOM 2 CA LEU A 4 -6.903 -18.485 -5.163 1.00 10.00 C ATOM 3 C LEU A 4 -5.739 -19.340 -4.674 1.00 10.00 C ATOM 4 O LEU A 4 -5.792 -20.571 -4.718 1.00 10.00 O ATOM 5 CB LEU A 4 -8.002 -18.449 -4.105 1.00 10.00 C ATOM 6 CG LEU A 4 -7.550 -17.970 -2.727 1.00 10.00 C ATOM 7 CD1 LEU A 4 -7.141 -16.508 -2.773 1.00 10.00 C ATOM 8 CD2 LEU A 4 -8.647 -18.197 -1.702 1.00 10.00 C ATOM 9 HN3 LEU A 4 -7.761 -19.974 -6.281 1.00 0.00 H ATOM 10 HN2 LEU A 4 -6.675 -18.987 -7.138 1.00 0.00 H ATOM 11 HN1 LEU A 4 -8.218 -18.402 -6.733 1.00 0.00 H ATOM 12 N THR A 5 -4.692 -18.679 -4.221 1.00 10.00 N ATOM 13 CA THR A 5 -3.515 -19.357 -3.720 1.00 10.00 C ATOM 14 C THR A 5 -3.605 -19.553 -2.207 1.00 10.00 C ATOM 15 O THR A 5 -3.984 -18.638 -1.490 1.00 10.00 O ATOM 16 CB THR A 5 -2.241 -18.550 -4.047 1.00 10.00 C ATOM 17 OG1 THR A 5 -2.424 -17.810 -5.264 1.00 10.00 O ATOM 18 CG2 THR A 5 -1.038 -19.468 -4.186 1.00 10.00 C ATOM 19 HG1 THR A 5 -1.601 -17.297 -5.464 1.00 0.00 H ATOM 20 H THR A 5 -4.712 -17.639 -4.224 1.00 0.00 H ATOM 21 N GLU A 6 -3.292 -20.761 -1.752 1.00 10.00 N ATOM 22 CA GLU A 6 -3.303 -21.071 -0.316 1.00 10.00 C ATOM 23 C GLU A 6 -2.427 -20.060 0.442 1.00 10.00 C ATOM 24 O GLU A 6 -2.769 -19.602 1.532 1.00 10.00 O ATOM 25 CB GLU A 6 -2.817 -22.496 -0.046 1.00 10.00 C ATOM 26 CG GLU A 6 -3.035 -22.936 1.393 1.00 10.00 C ATOM 27 CD GLU A 6 -2.576 -24.354 1.658 1.00 10.00 C ATOM 28 OE1 GLU A 6 -3.319 -25.303 1.326 1.00 10.00 O ATOM 29 OE2 GLU A 6 -1.479 -24.531 2.220 1.00 10.00 O ATOM 30 H GLU A 6 -3.033 -21.506 -2.429 1.00 0.00 H ATOM 31 N GLU A 7 -1.289 -19.737 -0.163 1.00 10.00 N ATOM 32 CA GLU A 7 -0.353 -18.758 0.399 1.00 10.00 C ATOM 33 C GLU A 7 -1.044 -17.409 0.644 1.00 10.00 C ATOM 34 O GLU A 7 -0.666 -16.656 1.542 1.00 10.00 O ATOM 35 CB GLU A 7 0.846 -18.565 -0.527 1.00 10.00 C ATOM 36 CG GLU A 7 1.814 -19.735 -0.522 1.00 10.00 C ATOM 37 CD GLU A 7 1.556 -20.718 -1.648 1.00 10.00 C ATOM 38 OE1 GLU A 7 0.429 -21.248 -1.739 1.00 10.00 O ATOM 39 OE2 GLU A 7 2.489 -20.980 -2.436 1.00 10.00 O ATOM 40 H GLU A 7 -1.054 -20.195 -1.067 1.00 0.00 H ATOM 41 N GLN A 8 -2.061 -17.128 -0.157 1.00 10.00 N ATOM 42 CA GLN A 8 -2.832 -15.893 -0.060 1.00 10.00 C ATOM 43 C GLN A 8 -4.302 -16.244 0.166 1.00 10.00 C ATOM 44 O GLN A 8 -5.203 -15.575 -0.338 1.00 10.00 O ATOM 45 CB GLN A 8 -2.677 -15.090 -1.359 1.00 10.00 C ATOM 46 CG GLN A 8 -2.534 -13.592 -1.150 1.00 10.00 C ATOM 47 CD GLN A 8 -1.169 -13.192 -0.621 1.00 10.00 C ATOM 48 OE1 GLN A 8 -0.516 -13.945 0.098 1.00 10.00 O ATOM 49 NE2 GLN A 8 -0.723 -11.998 -0.979 1.00 10.00 N ATOM 50 HE22 GLN A 8 -1.303 -11.387 -1.589 1.00 0.00 H ATOM 51 HE21 GLN A 8 0.208 -11.671 -0.650 1.00 0.00 H ATOM 52 H GLN A 8 -2.322 -17.819 -0.889 1.00 0.00 H ATOM 53 N ILE A 9 -4.522 -17.298 0.940 1.00 10.00 N ATOM 54 CA ILE A 9 -5.861 -17.813 1.208 1.00 10.00 C ATOM 55 C ILE A 9 -6.766 -16.837 1.962 1.00 10.00 C ATOM 56 O ILE A 9 -7.985 -16.848 1.764 1.00 10.00 O ATOM 57 CB ILE A 9 -5.787 -19.148 1.986 1.00 10.00 C ATOM 58 CG1 ILE A 9 -7.158 -19.831 2.029 1.00 10.00 C ATOM 59 CG2 ILE A 9 -5.246 -18.934 3.399 1.00 10.00 C ATOM 60 CD1 ILE A 9 -7.159 -21.133 2.804 1.00 10.00 C ATOM 61 H ILE A 9 -3.707 -17.777 1.374 1.00 0.00 H ATOM 62 N ALA A 10 -6.203 -15.984 2.809 1.00 10.00 N ATOM 63 CA ALA A 10 -7.022 -15.056 3.573 1.00 10.00 C ATOM 64 C ALA A 10 -6.338 -13.710 3.734 1.00 10.00 C ATOM 65 O ALA A 10 -6.639 -12.960 4.664 1.00 10.00 O ATOM 66 CB ALA A 10 -7.353 -15.643 4.937 1.00 10.00 C ATOM 67 H ALA A 10 -5.170 -15.979 2.927 1.00 0.00 H ATOM 68 N GLU A 11 -5.425 -13.400 2.821 1.00 10.00 N ATOM 69 CA GLU A 11 -4.703 -12.135 2.874 1.00 10.00 C ATOM 70 C GLU A 11 -5.680 -10.967 2.844 1.00 10.00 C ATOM 71 O GLU A 11 -5.619 -10.082 3.690 1.00 10.00 O ATOM 72 CB GLU A 11 -3.720 -12.025 1.714 1.00 10.00 C ATOM 73 CG GLU A 11 -2.837 -10.790 1.778 1.00 10.00 C ATOM 74 CD GLU A 11 -1.973 -10.754 3.022 1.00 10.00 C ATOM 75 OE1 GLU A 11 -1.275 -11.751 3.297 1.00 10.00 O ATOM 76 OE2 GLU A 11 -1.966 -9.720 3.721 1.00 10.00 O ATOM 77 H GLU A 11 -5.221 -14.072 2.054 1.00 0.00 H ATOM 78 N PHE A 12 -6.531 -10.940 1.821 1.00 10.00 N ATOM 79 CA PHE A 12 -7.555 -9.906 1.695 1.00 10.00 C ATOM 80 C PHE A 12 -8.306 -9.711 3.020 1.00 10.00 C ATOM 81 O PHE A 12 -8.607 -8.582 3.417 1.00 10.00 O ATOM 82 CB PHE A 12 -8.539 -10.262 0.571 1.00 10.00 C ATOM 83 CG PHE A 12 -7.932 -11.085 -0.531 1.00 10.00 C ATOM 84 CD1 PHE A 12 -8.375 -12.376 -0.771 1.00 10.00 C ATOM 85 CD2 PHE A 12 -6.916 -10.571 -1.319 1.00 10.00 C ATOM 86 CE1 PHE A 12 -7.816 -13.138 -1.776 1.00 10.00 C ATOM 87 CE2 PHE A 12 -6.354 -11.329 -2.327 1.00 10.00 C ATOM 88 CZ PHE A 12 -6.803 -12.616 -2.557 1.00 10.00 C ATOM 89 H PHE A 12 -6.465 -11.677 1.090 1.00 0.00 H ATOM 90 N LYS A 13 -8.594 -10.817 3.705 1.00 10.00 N ATOM 91 CA LYS A 13 -9.278 -10.770 4.994 1.00 10.00 C ATOM 92 C LYS A 13 -8.384 -10.112 6.037 1.00 10.00 C ATOM 93 O LYS A 13 -8.846 -9.299 6.830 1.00 10.00 O ATOM 94 CB LYS A 13 -9.649 -12.179 5.465 1.00 10.00 C ATOM 95 CG LYS A 13 -11.077 -12.586 5.142 1.00 10.00 C ATOM 96 CD LYS A 13 -11.312 -14.065 5.412 1.00 10.00 C ATOM 97 CE LYS A 13 -12.185 -14.286 6.638 1.00 10.00 C ATOM 98 NZ LYS A 13 -11.403 -14.276 7.898 1.00 10.00 N ATOM 99 HZ1 LYS A 13 -10.691 -15.034 7.869 1.00 0.00 H ATOM 100 HZ2 LYS A 13 -10.928 -13.357 8.003 1.00 0.00 H ATOM 101 HZ3 LYS A 13 -12.043 -14.431 8.703 1.00 0.00 H ATOM 102 H LYS A 13 -8.324 -11.740 3.310 1.00 0.00 H ATOM 103 N GLU A 14 -7.103 -10.458 5.998 1.00 10.00 N ATOM 104 CA GLU A 14 -6.116 -9.921 6.937 1.00 10.00 C ATOM 105 C GLU A 14 -6.113 -8.394 6.899 1.00 10.00 C ATOM 106 O GLU A 14 -6.191 -7.736 7.939 1.00 10.00 O ATOM 107 CB GLU A 14 -4.718 -10.468 6.631 1.00 10.00 C ATOM 108 CG GLU A 14 -4.411 -11.774 7.345 1.00 10.00 C ATOM 109 CD GLU A 14 -4.540 -11.651 8.846 1.00 10.00 C ATOM 110 OE1 GLU A 14 -5.642 -11.910 9.379 1.00 10.00 O ATOM 111 OE2 GLU A 14 -3.547 -11.283 9.508 1.00 10.00 O ATOM 112 H GLU A 14 -6.789 -11.135 5.274 1.00 0.00 H ATOM 113 N ALA A 15 -6.007 -7.843 5.696 1.00 10.00 N ATOM 114 CA ALA A 15 -6.025 -6.400 5.512 1.00 10.00 C ATOM 115 C ALA A 15 -7.347 -5.806 6.000 1.00 10.00 C ATOM 116 O ALA A 15 -7.361 -4.943 6.877 1.00 10.00 O ATOM 117 CB ALA A 15 -5.785 -6.050 4.049 1.00 10.00 C ATOM 118 H ALA A 15 -5.909 -8.459 4.864 1.00 0.00 H ATOM 119 N PHE A 16 -8.449 -6.267 5.401 1.00 10.00 N ATOM 120 CA PHE A 16 -9.791 -5.806 5.769 1.00 10.00 C ATOM 121 C PHE A 16 -9.990 -5.813 7.290 1.00 10.00 C ATOM 122 O PHE A 16 -10.541 -4.870 7.852 1.00 10.00 O ATOM 123 CB PHE A 16 -10.868 -6.654 5.086 1.00 10.00 C ATOM 124 CG PHE A 16 -11.683 -5.868 4.099 1.00 10.00 C ATOM 125 CD1 PHE A 16 -13.069 -5.871 4.145 1.00 10.00 C ATOM 126 CD2 PHE A 16 -11.057 -5.107 3.130 1.00 10.00 C ATOM 127 CE1 PHE A 16 -13.805 -5.130 3.241 1.00 10.00 C ATOM 128 CE2 PHE A 16 -11.789 -4.368 2.222 1.00 10.00 C ATOM 129 CZ PHE A 16 -13.166 -4.379 2.278 1.00 10.00 C ATOM 130 H PHE A 16 -8.351 -6.977 4.648 1.00 0.00 H ATOM 131 N SER A 17 -9.561 -6.902 7.919 1.00 10.00 N ATOM 132 CA SER A 17 -9.634 -7.056 9.379 1.00 10.00 C ATOM 133 C SER A 17 -9.079 -5.835 10.133 1.00 10.00 C ATOM 134 O SER A 17 -9.490 -5.567 11.262 1.00 10.00 O ATOM 135 CB SER A 17 -8.887 -8.313 9.833 1.00 10.00 C ATOM 136 OG SER A 17 -9.497 -9.479 9.316 1.00 10.00 O ATOM 137 HG SER A 17 -9.488 -9.444 8.327 1.00 0.00 H ATOM 138 H SER A 17 -9.157 -7.677 7.355 1.00 0.00 H ATOM 139 N LEU A 18 -8.156 -5.099 9.516 1.00 10.00 N ATOM 140 CA LEU A 18 -7.562 -3.930 10.160 1.00 10.00 C ATOM 141 C LEU A 18 -8.184 -2.619 9.666 1.00 10.00 C ATOM 142 O LEU A 18 -8.092 -1.590 10.335 1.00 10.00 O ATOM 143 CB LEU A 18 -6.049 -3.903 9.929 1.00 10.00 C ATOM 144 CG LEU A 18 -5.260 -3.093 10.961 1.00 10.00 C ATOM 145 CD1 LEU A 18 -4.512 -4.018 11.911 1.00 10.00 C ATOM 146 CD2 LEU A 18 -4.296 -2.143 10.272 1.00 10.00 C ATOM 147 H LEU A 18 -7.852 -5.362 8.557 1.00 0.00 H ATOM 148 N PHE A 19 -8.818 -2.651 8.504 1.00 10.00 N ATOM 149 CA PHE A 19 -9.428 -1.448 7.943 1.00 10.00 C ATOM 150 C PHE A 19 -10.820 -1.216 8.523 1.00 10.00 C ATOM 151 O PHE A 19 -11.033 -0.237 9.242 1.00 10.00 O ATOM 152 CB PHE A 19 -9.480 -1.536 6.418 1.00 10.00 C ATOM 153 CG PHE A 19 -8.128 -1.451 5.774 1.00 10.00 C ATOM 154 CD1 PHE A 19 -7.806 -2.263 4.699 1.00 10.00 C ATOM 155 CD2 PHE A 19 -7.177 -0.559 6.246 1.00 10.00 C ATOM 156 CE1 PHE A 19 -6.562 -2.185 4.108 1.00 10.00 C ATOM 157 CE2 PHE A 19 -5.931 -0.480 5.658 1.00 10.00 C ATOM 158 CZ PHE A 19 -5.625 -1.294 4.591 1.00 10.00 C ATOM 159 H PHE A 19 -8.883 -3.548 7.982 1.00 0.00 H ATOM 160 N ASP A 20 -11.771 -2.084 8.169 1.00 10.00 N ATOM 161 CA ASP A 20 -13.141 -1.995 8.691 1.00 10.00 C ATOM 162 C ASP A 20 -13.124 -1.962 10.214 1.00 10.00 C ATOM 163 O ASP A 20 -12.120 -2.331 10.827 1.00 10.00 O ATOM 164 CB ASP A 20 -13.968 -3.187 8.205 1.00 10.00 C ATOM 165 CG ASP A 20 -15.451 -2.989 8.419 1.00 10.00 C ATOM 166 OD1 ASP A 20 -16.062 -2.210 7.654 1.00 10.00 O ATOM 167 OD2 ASP A 20 -16.012 -3.611 9.342 1.00 10.00 O ATOM 168 H ASP A 20 -11.534 -2.847 7.503 1.00 0.00 H ATOM 169 N LYS A 21 -14.235 -1.595 10.846 1.00 10.00 N ATOM 170 CA LYS A 21 -14.279 -1.491 12.297 1.00 10.00 C ATOM 171 C LYS A 21 -15.698 -1.796 12.767 1.00 10.00 C ATOM 172 O LYS A 21 -15.911 -2.523 13.738 1.00 10.00 O ATOM 173 CB LYS A 21 -13.892 -0.073 12.764 1.00 10.00 C ATOM 174 CG LYS A 21 -12.442 0.318 12.503 1.00 10.00 C ATOM 175 CD LYS A 21 -11.474 -0.594 13.236 1.00 10.00 C ATOM 176 CE LYS A 21 -10.034 -0.305 12.841 1.00 10.00 C ATOM 177 NZ LYS A 21 -9.066 -0.984 13.742 1.00 10.00 N ATOM 178 HZ1 LYS A 21 -9.210 -0.652 14.717 1.00 0.00 H ATOM 179 HZ2 LYS A 21 -9.216 -2.012 13.699 1.00 0.00 H ATOM 180 HZ3 LYS A 21 -8.097 -0.761 13.438 1.00 0.00 H ATOM 181 H LYS A 21 -15.089 -1.378 10.293 1.00 0.00 H ATOM 182 N ASP A 22 -16.658 -1.218 12.049 1.00 10.00 N ATOM 183 CA ASP A 22 -18.094 -1.369 12.339 1.00 10.00 C ATOM 184 C ASP A 22 -18.638 -2.791 12.127 1.00 10.00 C ATOM 185 O ASP A 22 -19.849 -2.991 12.161 1.00 10.00 O ATOM 186 CB ASP A 22 -18.912 -0.381 11.495 1.00 10.00 C ATOM 187 CG ASP A 22 -18.641 -0.505 10.004 1.00 10.00 C ATOM 188 OD1 ASP A 22 -18.129 -1.546 9.561 1.00 10.00 O ATOM 189 OD2 ASP A 22 -18.918 0.450 9.250 1.00 10.00 O ATOM 190 H ASP A 22 -16.379 -0.628 11.239 1.00 0.00 H ATOM 191 N GLY A 23 -17.763 -3.770 11.921 1.00 10.00 N ATOM 192 CA GLY A 23 -18.205 -5.148 11.737 1.00 10.00 C ATOM 193 C GLY A 23 -19.098 -5.401 10.524 1.00 10.00 C ATOM 194 O GLY A 23 -19.675 -6.485 10.405 1.00 10.00 O ATOM 195 H GLY A 23 -16.747 -3.550 11.890 1.00 0.00 H ATOM 196 N ASP A 24 -19.201 -4.445 9.611 1.00 10.00 N ATOM 197 CA ASP A 24 -20.030 -4.629 8.417 1.00 10.00 C ATOM 198 C ASP A 24 -19.151 -5.230 7.326 1.00 10.00 C ATOM 199 O ASP A 24 -19.591 -5.999 6.463 1.00 10.00 O ATOM 200 CB ASP A 24 -20.677 -3.297 7.990 1.00 10.00 C ATOM 201 CG ASP A 24 -20.056 -2.685 6.751 1.00 10.00 C ATOM 202 OD1 ASP A 24 -19.040 -1.957 6.880 1.00 10.00 O ATOM 203 OD2 ASP A 24 -20.586 -2.907 5.645 1.00 10.00 O ATOM 204 H ASP A 24 -18.686 -3.551 9.744 1.00 0.00 H ATOM 205 N GLY A 25 -17.887 -4.862 7.418 1.00 10.00 N ATOM 206 CA GLY A 25 -16.867 -5.372 6.522 1.00 10.00 C ATOM 207 C GLY A 25 -16.796 -4.669 5.180 1.00 10.00 C ATOM 208 O GLY A 25 -16.624 -5.323 4.151 1.00 10.00 O ATOM 209 H GLY A 25 -17.613 -4.184 8.157 1.00 0.00 H ATOM 210 N THR A 26 -16.948 -3.355 5.172 1.00 10.00 N ATOM 211 CA THR A 26 -16.831 -2.562 3.959 1.00 10.00 C ATOM 212 C THR A 26 -16.194 -1.248 4.384 1.00 10.00 C ATOM 213 O THR A 26 -16.663 -0.620 5.336 1.00 10.00 O ATOM 214 CB THR A 26 -18.188 -2.271 3.252 1.00 10.00 C ATOM 215 OG1 THR A 26 -19.048 -1.506 4.099 1.00 10.00 O ATOM 216 CG2 THR A 26 -18.899 -3.554 2.837 1.00 10.00 C ATOM 217 HG1 THR A 26 -19.224 -2.011 4.932 1.00 0.00 H ATOM 218 H THR A 26 -17.159 -2.871 6.068 1.00 0.00 H ATOM 219 N ILE A 27 -15.108 -0.847 3.750 1.00 10.00 N ATOM 220 CA ILE A 27 -14.455 0.396 4.143 1.00 10.00 C ATOM 221 C ILE A 27 -15.120 1.577 3.465 1.00 10.00 C ATOM 222 O ILE A 27 -15.068 1.707 2.247 1.00 10.00 O ATOM 223 CB ILE A 27 -12.943 0.427 3.834 1.00 10.00 C ATOM 224 CG1 ILE A 27 -12.458 -0.898 3.242 1.00 10.00 C ATOM 225 CG2 ILE A 27 -12.166 0.759 5.097 1.00 10.00 C ATOM 226 CD1 ILE A 27 -12.388 -0.898 1.731 1.00 10.00 C ATOM 227 H ILE A 27 -14.719 -1.417 2.972 1.00 0.00 H ATOM 228 N THR A 28 -15.752 2.427 4.253 1.00 10.00 N ATOM 229 CA THR A 28 -16.427 3.591 3.714 1.00 10.00 C ATOM 230 C THR A 28 -15.491 4.799 3.670 1.00 10.00 C ATOM 231 O THR A 28 -14.302 4.690 3.986 1.00 10.00 O ATOM 232 CB THR A 28 -17.677 3.933 4.546 1.00 10.00 C ATOM 233 OG1 THR A 28 -17.339 3.970 5.937 1.00 10.00 O ATOM 234 CG2 THR A 28 -18.790 2.919 4.308 1.00 10.00 C ATOM 235 HG1 THR A 28 -16.992 3.085 6.215 1.00 0.00 H ATOM 236 H THR A 28 -15.766 2.258 5.279 1.00 0.00 H ATOM 237 N THR A 29 -16.054 5.939 3.307 1.00 10.00 N ATOM 238 CA THR A 29 -15.304 7.181 3.198 1.00 10.00 C ATOM 239 C THR A 29 -14.631 7.548 4.520 1.00 10.00 C ATOM 240 O THR A 29 -13.418 7.758 4.576 1.00 10.00 O ATOM 241 CB THR A 29 -16.217 8.336 2.754 1.00 10.00 C ATOM 242 OG1 THR A 29 -17.527 7.829 2.447 1.00 10.00 O ATOM 243 CG2 THR A 29 -15.639 9.043 1.540 1.00 10.00 C ATOM 244 HG1 THR A 29 -18.110 8.576 2.162 1.00 0.00 H ATOM 245 H THR A 29 -17.071 5.948 3.091 1.00 0.00 H ATOM 246 N LYS A 30 -15.422 7.618 5.582 1.00 10.00 N ATOM 247 CA LYS A 30 -14.915 7.967 6.906 1.00 10.00 C ATOM 248 C LYS A 30 -13.929 6.925 7.438 1.00 10.00 C ATOM 249 O LYS A 30 -12.976 7.267 8.137 1.00 10.00 O ATOM 250 CB LYS A 30 -16.089 8.126 7.873 1.00 10.00 C ATOM 251 CG LYS A 30 -15.741 8.852 9.157 1.00 10.00 C ATOM 252 CD LYS A 30 -16.984 9.149 9.972 1.00 10.00 C ATOM 253 CE LYS A 30 -16.640 9.725 11.335 1.00 10.00 C ATOM 254 NZ LYS A 30 -17.833 10.307 12.006 1.00 10.00 N ATOM 255 HZ1 LYS A 30 -18.222 11.071 11.417 1.00 0.00 H ATOM 256 HZ2 LYS A 30 -18.552 9.567 12.136 1.00 0.00 H ATOM 257 HZ3 LYS A 30 -17.556 10.689 12.933 1.00 0.00 H ATOM 258 H LYS A 30 -16.436 7.418 5.468 1.00 0.00 H ATOM 259 N GLU A 31 -14.137 5.659 7.089 1.00 10.00 N ATOM 260 CA GLU A 31 -13.259 4.597 7.562 1.00 10.00 C ATOM 261 C GLU A 31 -11.910 4.673 6.855 1.00 10.00 C ATOM 262 O GLU A 31 -10.856 4.570 7.491 1.00 10.00 O ATOM 263 CB GLU A 31 -13.914 3.223 7.351 1.00 10.00 C ATOM 264 CG GLU A 31 -15.079 2.968 8.303 1.00 10.00 C ATOM 265 CD GLU A 31 -15.866 1.715 7.967 1.00 10.00 C ATOM 266 OE1 GLU A 31 -16.455 1.643 6.869 1.00 10.00 O ATOM 267 OE2 GLU A 31 -15.935 0.793 8.808 1.00 10.00 O ATOM 268 H GLU A 31 -14.938 5.423 6.469 1.00 0.00 H ATOM 269 N LEU A 32 -11.955 4.888 5.545 1.00 10.00 N ATOM 270 CA LEU A 32 -10.748 5.003 4.728 1.00 10.00 C ATOM 271 C LEU A 32 -9.932 6.217 5.164 1.00 10.00 C ATOM 272 O LEU A 32 -8.705 6.166 5.256 1.00 10.00 O ATOM 273 CB LEU A 32 -11.132 5.148 3.253 1.00 10.00 C ATOM 274 CG LEU A 32 -10.299 4.332 2.263 1.00 10.00 C ATOM 275 CD1 LEU A 32 -10.779 2.890 2.221 1.00 10.00 C ATOM 276 CD2 LEU A 32 -10.379 4.952 0.879 1.00 10.00 C ATOM 277 H LEU A 32 -12.883 4.978 5.084 1.00 0.00 H ATOM 278 N GLY A 33 -10.642 7.302 5.450 1.00 10.00 N ATOM 279 CA GLY A 33 -10.009 8.541 5.859 1.00 10.00 C ATOM 280 C GLY A 33 -9.076 8.399 7.053 1.00 10.00 C ATOM 281 O GLY A 33 -7.953 8.893 7.015 1.00 10.00 O ATOM 282 H GLY A 33 -11.679 7.262 5.379 1.00 0.00 H ATOM 283 N THR A 34 -9.534 7.731 8.106 1.00 10.00 N ATOM 284 CA THR A 34 -8.729 7.549 9.315 1.00 10.00 C ATOM 285 C THR A 34 -7.365 6.911 9.014 1.00 10.00 C ATOM 286 O THR A 34 -6.327 7.402 9.462 1.00 10.00 O ATOM 287 CB THR A 34 -9.479 6.680 10.339 1.00 10.00 C ATOM 288 OG1 THR A 34 -10.753 6.280 9.809 1.00 10.00 O ATOM 289 CG2 THR A 34 -9.680 7.439 11.644 1.00 10.00 C ATOM 290 HG1 THR A 34 -10.615 5.758 8.979 1.00 0.00 H ATOM 291 H THR A 34 -10.491 7.326 8.070 1.00 0.00 H ATOM 292 N VAL A 35 -7.396 5.820 8.262 1.00 10.00 N ATOM 293 CA VAL A 35 -6.176 5.102 7.881 1.00 10.00 C ATOM 294 C VAL A 35 -5.190 6.043 7.186 1.00 10.00 C ATOM 295 O VAL A 35 -3.992 6.030 7.470 1.00 10.00 O ATOM 296 CB VAL A 35 -6.487 3.899 6.966 1.00 10.00 C ATOM 297 CG1 VAL A 35 -5.243 3.050 6.767 1.00 10.00 C ATOM 298 CG2 VAL A 35 -7.620 3.063 7.545 1.00 10.00 C ATOM 299 H VAL A 35 -8.315 5.462 7.932 1.00 0.00 H ATOM 300 N MET A 36 -5.716 6.873 6.300 1.00 10.00 N ATOM 301 CA MET A 36 -4.898 7.843 5.570 1.00 10.00 C ATOM 302 C MET A 36 -4.422 8.963 6.505 1.00 10.00 C ATOM 303 O MET A 36 -3.273 9.408 6.440 1.00 10.00 O ATOM 304 CB MET A 36 -5.702 8.448 4.421 1.00 10.00 C ATOM 305 CG MET A 36 -4.852 9.123 3.357 1.00 10.00 C ATOM 306 SD MET A 36 -5.686 10.530 2.603 1.00 10.00 S ATOM 307 CE MET A 36 -4.733 10.721 1.100 1.00 10.00 C ATOM 308 H MET A 36 -6.739 6.835 6.117 1.00 0.00 H ATOM 309 N ARG A 37 -5.327 9.394 7.383 1.00 10.00 N ATOM 310 CA ARG A 37 -5.055 10.465 8.344 1.00 10.00 C ATOM 311 C ARG A 37 -3.949 10.076 9.318 1.00 10.00 C ATOM 312 O ARG A 37 -3.123 10.908 9.695 1.00 10.00 O ATOM 313 CB ARG A 37 -6.329 10.806 9.121 1.00 10.00 C ATOM 314 CG ARG A 37 -6.223 12.068 9.962 1.00 10.00 C ATOM 315 CD ARG A 37 -7.576 12.469 10.527 1.00 10.00 C ATOM 316 NE ARG A 37 -8.017 11.573 11.594 1.00 10.00 N ATOM 317 CZ ARG A 37 -9.275 11.500 12.033 1.00 10.00 C ATOM 318 NH1 ARG A 37 -10.216 12.265 11.490 1.00 10.00 N ATOM 319 NH2 ARG A 37 -9.584 10.680 13.029 1.00 10.00 N ATOM 320 HE ARG A 37 -7.308 10.955 12.038 1.00 0.00 H ATOM 321 HH12 ARG A 37 -11.196 12.207 11.834 1.00 0.00 H ATOM 322 HH11 ARG A 37 -9.973 12.922 10.721 1.00 0.00 H ATOM 323 HH22 ARG A 37 -10.565 10.623 13.371 1.00 0.00 H ATOM 324 HH21 ARG A 37 -8.846 10.094 13.468 1.00 0.00 H ATOM 325 H ARG A 37 -6.268 8.950 7.386 1.00 0.00 H ATOM 326 N SER A 38 -3.917 8.806 9.701 1.00 10.00 N ATOM 327 CA SER A 38 -2.914 8.307 10.635 1.00 10.00 C ATOM 328 C SER A 38 -1.505 8.389 10.046 1.00 10.00 C ATOM 329 O SER A 38 -0.512 8.257 10.761 1.00 10.00 O ATOM 330 CB SER A 38 -3.244 6.865 11.030 1.00 10.00 C ATOM 331 OG SER A 38 -4.515 6.790 11.660 1.00 10.00 O ATOM 332 HG SER A 38 -5.211 7.117 11.036 1.00 0.00 H ATOM 333 H SER A 38 -4.628 8.147 9.324 1.00 0.00 H ATOM 334 N LEU A 39 -1.423 8.622 8.741 1.00 10.00 N ATOM 335 CA LEU A 39 -0.138 8.725 8.065 1.00 10.00 C ATOM 336 C LEU A 39 0.281 10.184 7.895 1.00 10.00 C ATOM 337 O LEU A 39 1.345 10.475 7.349 1.00 10.00 O ATOM 338 CB LEU A 39 -0.197 8.029 6.706 1.00 10.00 C ATOM 339 CG LEU A 39 -0.297 6.502 6.756 1.00 10.00 C ATOM 340 CD1 LEU A 39 -0.134 5.920 5.365 1.00 10.00 C ATOM 341 CD2 LEU A 39 0.746 5.922 7.697 1.00 10.00 C ATOM 342 H LEU A 39 -2.297 8.733 8.189 1.00 0.00 H ATOM 343 N GLY A 40 -0.556 11.100 8.364 1.00 10.00 N ATOM 344 CA GLY A 40 -0.234 12.513 8.269 1.00 10.00 C ATOM 345 C GLY A 40 -1.056 13.251 7.229 1.00 10.00 C ATOM 346 O GLY A 40 -1.091 14.483 7.221 1.00 10.00 O ATOM 347 H GLY A 40 -1.451 10.804 8.804 1.00 0.00 H ATOM 348 N GLN A 41 -1.722 12.509 6.357 1.00 10.00 N ATOM 349 CA GLN A 41 -2.530 13.120 5.309 1.00 10.00 C ATOM 350 C GLN A 41 -3.904 13.506 5.841 1.00 10.00 C ATOM 351 O GLN A 41 -4.581 12.698 6.473 1.00 10.00 O ATOM 352 CB GLN A 41 -2.675 12.170 4.120 1.00 10.00 C ATOM 353 CG GLN A 41 -1.347 11.778 3.492 1.00 10.00 C ATOM 354 CD GLN A 41 -0.536 12.976 3.037 1.00 10.00 C ATOM 355 OE1 GLN A 41 -1.087 14.000 2.629 1.00 10.00 O ATOM 356 NE2 GLN A 41 0.778 12.861 3.113 1.00 10.00 N ATOM 357 HE22 GLN A 41 1.203 11.979 3.463 1.00 0.00 H ATOM 358 HE21 GLN A 41 1.387 13.652 2.823 1.00 0.00 H ATOM 359 H GLN A 41 -1.667 11.472 6.421 1.00 0.00 H ATOM 360 N ASN A 42 -4.314 14.741 5.582 1.00 10.00 N ATOM 361 CA ASN A 42 -5.612 15.225 6.045 1.00 10.00 C ATOM 362 C ASN A 42 -6.337 15.965 4.928 1.00 10.00 C ATOM 363 O ASN A 42 -6.194 17.180 4.775 1.00 10.00 O ATOM 364 CB ASN A 42 -5.431 16.139 7.255 1.00 10.00 C ATOM 365 CG ASN A 42 -6.628 16.121 8.186 1.00 10.00 C ATOM 366 OD1 ASN A 42 -7.771 16.282 7.761 1.00 10.00 O ATOM 367 ND2 ASN A 42 -6.372 15.906 9.467 1.00 10.00 N ATOM 368 HD22 ASN A 42 -5.391 15.775 9.786 1.00 0.00 H ATOM 369 HD21 ASN A 42 -7.152 15.868 10.154 1.00 0.00 H ATOM 370 H ASN A 42 -3.698 15.378 5.038 1.00 0.00 H ATOM 371 N PRO A 43 -7.093 15.227 4.106 1.00 10.00 N ATOM 372 CA PRO A 43 -7.849 15.779 2.995 1.00 10.00 C ATOM 373 C PRO A 43 -9.331 15.982 3.337 1.00 10.00 C ATOM 374 O PRO A 43 -9.743 15.812 4.489 1.00 10.00 O ATOM 375 CB PRO A 43 -7.680 14.674 1.959 1.00 10.00 C ATOM 376 CG PRO A 43 -7.662 13.406 2.746 1.00 10.00 C ATOM 377 CD PRO A 43 -7.255 13.768 4.158 1.00 10.00 C ATOM 378 N THR A 44 -10.130 16.346 2.339 1.00 10.00 N ATOM 379 CA THR A 44 -11.557 16.557 2.549 1.00 10.00 C ATOM 380 C THR A 44 -12.387 15.432 1.930 1.00 10.00 C ATOM 381 O THR A 44 -11.841 14.469 1.381 1.00 10.00 O ATOM 382 CB THR A 44 -12.018 17.907 1.975 1.00 10.00 C ATOM 383 OG1 THR A 44 -11.592 18.042 0.612 1.00 10.00 O ATOM 384 CG2 THR A 44 -11.470 19.057 2.802 1.00 10.00 C ATOM 385 HG1 THR A 44 -10.604 17.993 0.570 1.00 0.00 H ATOM 386 H THR A 44 -9.729 16.483 1.389 1.00 0.00 H ATOM 387 N GLU A 45 -13.710 15.569 2.015 1.00 10.00 N ATOM 388 CA GLU A 45 -14.641 14.571 1.482 1.00 10.00 C ATOM 389 C GLU A 45 -14.405 14.316 -0.007 1.00 10.00 C ATOM 390 O GLU A 45 -14.419 13.169 -0.454 1.00 10.00 O ATOM 391 CB GLU A 45 -16.085 15.027 1.692 1.00 10.00 C ATOM 392 CG GLU A 45 -16.386 15.482 3.110 1.00 10.00 C ATOM 393 CD GLU A 45 -16.509 14.329 4.084 1.00 10.00 C ATOM 394 OE1 GLU A 45 -15.471 13.822 4.551 1.00 10.00 O ATOM 395 OE2 GLU A 45 -17.651 13.935 4.400 1.00 10.00 O ATOM 396 H GLU A 45 -14.096 16.417 2.477 1.00 0.00 H ATOM 397 N ALA A 46 -14.183 15.385 -0.768 1.00 10.00 N ATOM 398 CA ALA A 46 -13.951 15.273 -2.209 1.00 10.00 C ATOM 399 C ALA A 46 -12.719 14.431 -2.515 1.00 10.00 C ATOM 400 O ALA A 46 -12.685 13.687 -3.489 1.00 10.00 O ATOM 401 CB ALA A 46 -13.805 16.654 -2.828 1.00 10.00 C ATOM 402 H ALA A 46 -14.174 16.327 -0.326 1.00 0.00 H ATOM 403 N GLU A 47 -11.725 14.537 -1.652 1.00 10.00 N ATOM 404 CA GLU A 47 -10.482 13.801 -1.819 1.00 10.00 C ATOM 405 C GLU A 47 -10.678 12.326 -1.478 1.00 10.00 C ATOM 406 O GLU A 47 -10.093 11.449 -2.111 1.00 10.00 O ATOM 407 CB GLU A 47 -9.381 14.385 -0.933 1.00 10.00 C ATOM 408 CG GLU A 47 -8.613 15.535 -1.564 1.00 10.00 C ATOM 409 CD GLU A 47 -9.217 16.883 -1.244 1.00 10.00 C ATOM 410 OE1 GLU A 47 -9.724 17.553 -2.174 1.00 10.00 O ATOM 411 OE2 GLU A 47 -9.199 17.280 -0.056 1.00 10.00 O ATOM 412 H GLU A 47 -11.834 15.164 -0.830 1.00 0.00 H ATOM 413 N LEU A 48 -11.511 12.064 -0.477 1.00 10.00 N ATOM 414 CA LEU A 48 -11.780 10.699 -0.035 1.00 10.00 C ATOM 415 C LEU A 48 -12.745 9.977 -0.971 1.00 10.00 C ATOM 416 O LEU A 48 -12.510 8.829 -1.347 1.00 10.00 O ATOM 417 CB LEU A 48 -12.354 10.712 1.383 1.00 10.00 C ATOM 418 CG LEU A 48 -11.498 11.429 2.426 1.00 10.00 C ATOM 419 CD1 LEU A 48 -12.281 11.627 3.712 1.00 10.00 C ATOM 420 CD2 LEU A 48 -10.223 10.650 2.692 1.00 10.00 C ATOM 421 H LEU A 48 -11.985 12.854 0.006 1.00 0.00 H ATOM 422 N GLN A 49 -13.828 10.647 -1.353 1.00 10.00 N ATOM 423 CA GLN A 49 -14.818 10.040 -2.237 1.00 10.00 C ATOM 424 C GLN A 49 -14.218 9.776 -3.615 1.00 10.00 C ATOM 425 O GLN A 49 -14.586 8.815 -4.297 1.00 10.00 O ATOM 426 CB GLN A 49 -16.063 10.927 -2.360 1.00 10.00 C ATOM 427 CG GLN A 49 -17.215 10.254 -3.090 1.00 10.00 C ATOM 428 CD GLN A 49 -17.628 8.940 -2.451 1.00 10.00 C ATOM 429 OE1 GLN A 49 -17.558 8.776 -1.235 1.00 10.00 O ATOM 430 NE2 GLN A 49 -18.049 7.988 -3.268 1.00 10.00 N ATOM 431 HE22 GLN A 49 -18.095 8.164 -4.292 1.00 0.00 H ATOM 432 HE21 GLN A 49 -18.334 7.064 -2.886 1.00 0.00 H ATOM 433 H GLN A 49 -13.972 11.620 -1.016 1.00 0.00 H ATOM 434 N ASP A 50 -13.283 10.626 -4.009 1.00 10.00 N ATOM 435 CA ASP A 50 -12.613 10.485 -5.292 1.00 10.00 C ATOM 436 C ASP A 50 -11.821 9.184 -5.316 1.00 10.00 C ATOM 437 O ASP A 50 -11.754 8.496 -6.337 1.00 10.00 O ATOM 438 CB ASP A 50 -11.678 11.671 -5.542 1.00 10.00 C ATOM 439 CG ASP A 50 -11.265 11.781 -6.991 1.00 10.00 C ATOM 440 OD1 ASP A 50 -12.134 12.058 -7.841 1.00 10.00 O ATOM 441 OD2 ASP A 50 -10.066 11.596 -7.290 1.00 10.00 O ATOM 442 H ASP A 50 -13.021 11.415 -3.385 1.00 0.00 H ATOM 443 N MET A 51 -11.243 8.847 -4.168 1.00 10.00 N ATOM 444 CA MET A 51 -10.467 7.625 -4.029 1.00 10.00 C ATOM 445 C MET A 51 -11.357 6.413 -4.252 1.00 10.00 C ATOM 446 O MET A 51 -10.977 5.479 -4.946 1.00 10.00 O ATOM 447 CB MET A 51 -9.820 7.546 -2.647 1.00 10.00 C ATOM 448 CG MET A 51 -8.687 8.537 -2.444 1.00 10.00 C ATOM 449 SD MET A 51 -7.319 8.266 -3.585 1.00 10.00 S ATOM 450 CE MET A 51 -6.008 9.158 -2.757 1.00 10.00 C ATOM 451 H MET A 51 -11.349 9.475 -3.346 1.00 0.00 H ATOM 452 N ILE A 52 -12.506 6.380 -3.594 1.00 10.00 N ATOM 453 CA ILE A 52 -13.447 5.283 -3.792 1.00 10.00 C ATOM 454 C ILE A 52 -13.726 5.063 -5.281 1.00 10.00 C ATOM 455 O ILE A 52 -13.617 3.954 -5.766 1.00 10.00 O ATOM 456 CB ILE A 52 -14.777 5.527 -3.055 1.00 10.00 C ATOM 457 CG1 ILE A 52 -14.534 6.130 -1.662 1.00 10.00 C ATOM 458 CG2 ILE A 52 -15.549 4.229 -2.942 1.00 10.00 C ATOM 459 CD1 ILE A 52 -13.535 5.360 -0.817 1.00 10.00 C ATOM 460 H ILE A 52 -12.740 7.145 -2.929 1.00 0.00 H ATOM 461 N ASN A 53 -14.111 6.134 -5.966 1.00 10.00 N ATOM 462 CA ASN A 53 -14.379 6.090 -7.426 1.00 10.00 C ATOM 463 C ASN A 53 -13.201 5.443 -8.184 1.00 10.00 C ATOM 464 O ASN A 53 -13.371 4.853 -9.251 1.00 10.00 O ATOM 465 CB ASN A 53 -14.656 7.494 -7.967 1.00 10.00 C ATOM 466 CG ASN A 53 -16.106 7.905 -7.790 1.00 10.00 C ATOM 467 OD1 ASN A 53 -16.518 8.347 -6.716 1.00 10.00 O ATOM 468 ND2 ASN A 53 -16.895 7.761 -8.843 1.00 10.00 N ATOM 469 HD22 ASN A 53 -16.511 7.384 -9.733 1.00 0.00 H ATOM 470 HD21 ASN A 53 -17.899 8.025 -8.780 1.00 0.00 H ATOM 471 H ASN A 53 -14.229 7.036 -5.462 1.00 0.00 H ATOM 472 N GLU A 54 -12.021 5.586 -7.595 1.00 10.00 N ATOM 473 CA GLU A 54 -10.787 5.013 -8.138 1.00 10.00 C ATOM 474 C GLU A 54 -10.849 3.471 -8.102 1.00 10.00 C ATOM 475 O GLU A 54 -10.283 2.793 -8.960 1.00 10.00 O ATOM 476 CB GLU A 54 -9.562 5.524 -7.369 1.00 10.00 C ATOM 477 CG GLU A 54 -8.240 4.964 -7.859 1.00 10.00 C ATOM 478 CD GLU A 54 -7.250 6.047 -8.222 1.00 10.00 C ATOM 479 OE1 GLU A 54 -7.073 6.302 -9.433 1.00 10.00 O ATOM 480 OE2 GLU A 54 -6.649 6.646 -7.303 1.00 10.00 O ATOM 481 H GLU A 54 -11.970 6.129 -6.709 1.00 0.00 H ATOM 482 N VAL A 55 -11.564 2.929 -7.120 1.00 10.00 N ATOM 483 CA VAL A 55 -11.712 1.475 -6.971 1.00 10.00 C ATOM 484 C VAL A 55 -13.108 1.015 -7.397 1.00 10.00 C ATOM 485 O VAL A 55 -13.255 0.111 -8.220 1.00 10.00 O ATOM 486 CB VAL A 55 -11.497 1.019 -5.506 1.00 10.00 C ATOM 487 CG1 VAL A 55 -11.572 -0.495 -5.401 1.00 10.00 C ATOM 488 CG2 VAL A 55 -10.176 1.520 -4.949 1.00 10.00 C ATOM 489 H VAL A 55 -12.034 3.555 -6.435 1.00 0.00 H ATOM 490 N ASP A 56 -14.120 1.658 -6.820 1.00 10.00 N ATOM 491 CA ASP A 56 -15.520 1.340 -7.079 1.00 10.00 C ATOM 492 C ASP A 56 -15.845 1.427 -8.558 1.00 10.00 C ATOM 493 O ASP A 56 -15.517 2.409 -9.223 1.00 10.00 O ATOM 494 CB ASP A 56 -16.438 2.283 -6.295 1.00 10.00 C ATOM 495 CG ASP A 56 -17.897 1.873 -6.361 1.00 10.00 C ATOM 496 OD1 ASP A 56 -18.372 1.212 -5.410 1.00 10.00 O ATOM 497 OD2 ASP A 56 -18.579 2.212 -7.352 1.00 10.00 O ATOM 498 H ASP A 56 -13.902 2.425 -6.152 1.00 0.00 H ATOM 499 N ALA A 57 -16.501 0.395 -9.061 1.00 10.00 N ATOM 500 CA ALA A 57 -16.870 0.347 -10.460 1.00 10.00 C ATOM 501 C ALA A 57 -18.304 -0.140 -10.642 1.00 10.00 C ATOM 502 O ALA A 57 -18.755 -0.351 -11.767 1.00 10.00 O ATOM 503 CB ALA A 57 -15.905 -0.547 -11.220 1.00 10.00 C ATOM 504 H ALA A 57 -16.757 -0.398 -8.439 1.00 0.00 H ATOM 505 N ASP A 58 -19.020 -0.313 -9.536 1.00 10.00 N ATOM 506 CA ASP A 58 -20.403 -0.779 -9.606 1.00 10.00 C ATOM 507 C ASP A 58 -21.382 0.376 -9.458 1.00 10.00 C ATOM 508 O ASP A 58 -22.597 0.190 -9.594 1.00 10.00 O ATOM 509 CB ASP A 58 -20.691 -1.861 -8.559 1.00 10.00 C ATOM 510 CG ASP A 58 -20.175 -1.540 -7.171 1.00 10.00 C ATOM 511 OD1 ASP A 58 -19.571 -2.427 -6.539 1.00 10.00 O ATOM 512 OD2 ASP A 58 -20.352 -0.402 -6.699 1.00 10.00 O ATOM 513 H ASP A 58 -18.591 -0.114 -8.610 1.00 0.00 H ATOM 514 N GLY A 59 -20.876 1.570 -9.183 1.00 10.00 N ATOM 515 CA GLY A 59 -21.738 2.723 -9.050 1.00 10.00 C ATOM 516 C GLY A 59 -22.335 2.872 -7.667 1.00 10.00 C ATOM 517 O GLY A 59 -23.179 3.738 -7.437 1.00 10.00 O ATOM 518 H GLY A 59 -19.849 1.678 -9.062 1.00 0.00 H ATOM 519 N ASN A 60 -21.917 2.034 -6.734 1.00 10.00 N ATOM 520 CA ASN A 60 -22.439 2.114 -5.379 1.00 10.00 C ATOM 521 C ASN A 60 -21.645 3.149 -4.582 1.00 10.00 C ATOM 522 O ASN A 60 -22.158 3.743 -3.633 1.00 10.00 O ATOM 523 CB ASN A 60 -22.446 0.730 -4.709 1.00 10.00 C ATOM 524 CG ASN A 60 -21.510 0.611 -3.526 1.00 10.00 C ATOM 525 OD1 ASN A 60 -20.375 0.158 -3.665 1.00 10.00 O ATOM 526 ND2 ASN A 60 -21.986 0.997 -2.354 1.00 10.00 N ATOM 527 HD22 ASN A 60 -22.953 1.374 -2.284 1.00 0.00 H ATOM 528 HD21 ASN A 60 -21.394 0.923 -1.502 1.00 0.00 H ATOM 529 H ASN A 60 -21.208 1.311 -6.971 1.00 0.00 H ATOM 530 N GLY A 61 -20.401 3.376 -4.991 1.00 10.00 N ATOM 531 CA GLY A 61 -19.570 4.370 -4.335 1.00 10.00 C ATOM 532 C GLY A 61 -18.942 3.878 -3.047 1.00 10.00 C ATOM 533 O GLY A 61 -18.741 4.654 -2.110 1.00 10.00 O ATOM 534 H GLY A 61 -20.017 2.834 -5.792 1.00 0.00 H ATOM 535 N THR A 62 -18.629 2.591 -2.994 1.00 10.00 N ATOM 536 CA THR A 62 -18.014 1.996 -1.816 1.00 10.00 C ATOM 537 C THR A 62 -17.264 0.720 -2.204 1.00 10.00 C ATOM 538 O THR A 62 -17.809 -0.120 -2.920 1.00 10.00 O ATOM 539 CB THR A 62 -19.068 1.653 -0.731 1.00 10.00 C ATOM 540 OG1 THR A 62 -20.029 2.708 -0.614 1.00 10.00 O ATOM 541 CG2 THR A 62 -18.410 1.420 0.627 1.00 10.00 C ATOM 542 HG1 THR A 62 -19.568 3.547 -0.361 1.00 0.00 H ATOM 543 H THR A 62 -18.829 1.989 -3.818 1.00 0.00 H ATOM 544 N ILE A 63 -16.014 0.582 -1.763 1.00 10.00 N ATOM 545 CA ILE A 63 -15.244 -0.624 -2.066 1.00 10.00 C ATOM 546 C ILE A 63 -15.869 -1.793 -1.311 1.00 10.00 C ATOM 547 O ILE A 63 -16.005 -1.734 -0.085 1.00 10.00 O ATOM 548 CB ILE A 63 -13.746 -0.490 -1.668 1.00 10.00 C ATOM 549 CG1 ILE A 63 -13.133 0.798 -2.216 1.00 10.00 C ATOM 550 CG2 ILE A 63 -12.942 -1.681 -2.164 1.00 10.00 C ATOM 551 CD1 ILE A 63 -12.543 1.688 -1.149 1.00 10.00 C ATOM 552 H ILE A 63 -15.581 1.340 -1.197 1.00 0.00 H ATOM 553 N ASP A 64 -16.256 -2.850 -2.021 1.00 10.00 N ATOM 554 CA ASP A 64 -16.894 -4.000 -1.391 1.00 10.00 C ATOM 555 C ASP A 64 -16.050 -5.260 -1.620 1.00 10.00 C ATOM 556 O ASP A 64 -14.826 -5.195 -1.499 1.00 10.00 O ATOM 557 CB ASP A 64 -18.327 -4.170 -1.916 1.00 10.00 C ATOM 558 CG ASP A 64 -18.482 -3.771 -3.371 1.00 10.00 C ATOM 559 OD1 ASP A 64 -18.003 -4.510 -4.251 1.00 10.00 O ATOM 560 OD2 ASP A 64 -19.102 -2.716 -3.643 1.00 10.00 O ATOM 561 H ASP A 64 -16.100 -2.856 -3.049 1.00 0.00 H ATOM 562 N PHE A 65 -16.658 -6.405 -1.948 1.00 10.00 N ATOM 563 CA PHE A 65 -15.878 -7.627 -2.149 1.00 10.00 C ATOM 564 C PHE A 65 -15.398 -7.799 -3.600 1.00 10.00 C ATOM 565 O PHE A 65 -14.217 -8.063 -3.811 1.00 10.00 O ATOM 566 CB PHE A 65 -16.655 -8.872 -1.690 1.00 10.00 C ATOM 567 CG PHE A 65 -15.766 -10.063 -1.438 1.00 10.00 C ATOM 568 CD1 PHE A 65 -15.811 -11.174 -2.265 1.00 10.00 C ATOM 569 CD2 PHE A 65 -14.874 -10.061 -0.376 1.00 10.00 C ATOM 570 CE1 PHE A 65 -14.983 -12.259 -2.037 1.00 10.00 C ATOM 571 CE2 PHE A 65 -14.048 -11.143 -0.143 1.00 10.00 C ATOM 572 CZ PHE A 65 -14.101 -12.243 -0.974 1.00 10.00 C ATOM 573 H PHE A 65 -17.692 -6.427 -2.061 1.00 0.00 H ATOM 574 N PRO A 66 -16.279 -7.690 -4.626 1.00 10.00 N ATOM 575 CA PRO A 66 -15.850 -7.828 -6.035 1.00 10.00 C ATOM 576 C PRO A 66 -14.670 -6.911 -6.360 1.00 10.00 C ATOM 577 O PRO A 66 -13.651 -7.345 -6.901 1.00 10.00 O ATOM 578 CB PRO A 66 -17.090 -7.406 -6.820 1.00 10.00 C ATOM 579 CG PRO A 66 -18.234 -7.714 -5.915 1.00 10.00 C ATOM 580 CD PRO A 66 -17.737 -7.461 -4.519 1.00 10.00 C ATOM 581 N GLU A 67 -14.819 -5.627 -6.023 1.00 10.00 N ATOM 582 CA GLU A 67 -13.765 -4.634 -6.231 1.00 10.00 C ATOM 583 C GLU A 67 -12.482 -5.020 -5.480 1.00 10.00 C ATOM 584 O GLU A 67 -11.376 -4.636 -5.862 1.00 10.00 O ATOM 585 CB GLU A 67 -14.238 -3.268 -5.743 1.00 10.00 C ATOM 586 CG GLU A 67 -15.068 -2.512 -6.759 1.00 10.00 C ATOM 587 CD GLU A 67 -16.224 -1.767 -6.133 1.00 10.00 C ATOM 588 OE1 GLU A 67 -17.072 -1.230 -6.876 1.00 10.00 O ATOM 589 OE2 GLU A 67 -16.317 -1.715 -4.892 1.00 10.00 O ATOM 590 H GLU A 67 -15.717 -5.322 -5.597 1.00 0.00 H ATOM 591 N PHE A 68 -12.664 -5.830 -4.455 1.00 10.00 N ATOM 592 CA PHE A 68 -11.557 -6.286 -3.632 1.00 10.00 C ATOM 593 C PHE A 68 -10.858 -7.470 -4.289 1.00 10.00 C ATOM 594 O PHE A 68 -9.833 -7.948 -3.810 1.00 10.00 O ATOM 595 CB PHE A 68 -12.006 -6.628 -2.209 1.00 10.00 C ATOM 596 CG PHE A 68 -10.952 -6.301 -1.187 1.00 10.00 C ATOM 597 CD1 PHE A 68 -10.325 -5.062 -1.198 1.00 10.00 C ATOM 598 CD2 PHE A 68 -10.580 -7.228 -0.232 1.00 10.00 C ATOM 599 CE1 PHE A 68 -9.348 -4.755 -0.272 1.00 10.00 C ATOM 600 CE2 PHE A 68 -9.603 -6.928 0.700 1.00 10.00 C ATOM 601 CZ PHE A 68 -8.983 -5.689 0.680 1.00 10.00 C ATOM 602 H PHE A 68 -13.627 -6.151 -4.230 1.00 0.00 H ATOM 603 N LEU A 69 -11.425 -7.937 -5.388 1.00 10.00 N ATOM 604 CA LEU A 69 -10.851 -9.037 -6.146 1.00 10.00 C ATOM 605 C LEU A 69 -10.403 -8.532 -7.514 1.00 10.00 C ATOM 606 O LEU A 69 -9.368 -8.939 -8.036 1.00 10.00 O ATOM 607 CB LEU A 69 -11.859 -10.179 -6.311 1.00 10.00 C ATOM 608 CG LEU A 69 -12.276 -10.887 -5.017 1.00 10.00 C ATOM 609 CD1 LEU A 69 -13.197 -12.057 -5.331 1.00 10.00 C ATOM 610 CD2 LEU A 69 -11.053 -11.366 -4.246 1.00 10.00 C ATOM 611 H LEU A 69 -12.310 -7.504 -5.721 1.00 0.00 H ATOM 612 N THR A 70 -11.192 -7.630 -8.084 1.00 10.00 N ATOM 613 CA THR A 70 -10.890 -7.049 -9.384 1.00 10.00 C ATOM 614 C THR A 70 -9.691 -6.104 -9.301 1.00 10.00 C ATOM 615 O THR A 70 -8.714 -6.264 -10.034 1.00 10.00 O ATOM 616 CB THR A 70 -12.105 -6.287 -9.944 1.00 10.00 C ATOM 617 OG1 THR A 70 -13.230 -7.172 -10.041 1.00 10.00 O ATOM 618 CG2 THR A 70 -11.796 -5.686 -11.310 1.00 10.00 C ATOM 619 HG1 THR A 70 -13.449 -7.525 -9.142 1.00 0.00 H ATOM 620 H THR A 70 -12.054 -7.329 -7.586 1.00 0.00 H ATOM 621 N MET A 71 -9.758 -5.126 -8.397 1.00 10.00 N ATOM 622 CA MET A 71 -8.665 -4.172 -8.230 1.00 10.00 C ATOM 623 C MET A 71 -7.449 -4.890 -7.652 1.00 10.00 C ATOM 624 O MET A 71 -6.314 -4.426 -7.755 1.00 10.00 O ATOM 625 CB MET A 71 -9.088 -3.011 -7.328 1.00 10.00 C ATOM 626 CG MET A 71 -8.017 -1.941 -7.187 1.00 10.00 C ATOM 627 SD MET A 71 -8.129 -1.035 -5.636 1.00 10.00 S ATOM 628 CE MET A 71 -8.135 -2.382 -4.456 1.00 10.00 C ATOM 629 H MET A 71 -10.605 -5.041 -7.799 1.00 0.00 H ATOM 630 N MET A 72 -7.726 -6.046 -7.068 1.00 10.00 N ATOM 631 CA MET A 72 -6.691 -6.893 -6.487 1.00 10.00 C ATOM 632 C MET A 72 -5.744 -7.341 -7.600 1.00 10.00 C ATOM 633 O MET A 72 -4.544 -7.506 -7.390 1.00 10.00 O ATOM 634 CB MET A 72 -7.306 -8.106 -5.783 1.00 10.00 C ATOM 635 CG MET A 72 -6.420 -8.710 -4.702 1.00 10.00 C ATOM 636 SD MET A 72 -5.149 -9.811 -5.352 1.00 10.00 S ATOM 637 CE MET A 72 -6.144 -11.157 -5.990 1.00 10.00 C ATOM 638 H MET A 72 -8.716 -6.361 -7.022 1.00 0.00 H ATOM 639 N ALA A 73 -6.301 -7.511 -8.793 1.00 10.00 N ATOM 640 CA ALA A 73 -5.517 -7.907 -9.951 1.00 10.00 C ATOM 641 C ALA A 73 -5.047 -6.670 -10.707 1.00 10.00 C ATOM 642 O ALA A 73 -3.875 -6.563 -11.051 1.00 10.00 O ATOM 643 CB ALA A 73 -6.319 -8.827 -10.862 1.00 10.00 C ATOM 644 H ALA A 73 -7.324 -7.357 -8.902 1.00 0.00 H ATOM 645 N ARG A 74 -5.991 -5.763 -10.993 1.00 10.00 N ATOM 646 CA ARG A 74 -5.702 -4.493 -11.682 1.00 10.00 C ATOM 647 C ARG A 74 -4.367 -3.886 -11.251 1.00 10.00 C ATOM 648 O ARG A 74 -3.469 -3.711 -12.062 1.00 10.00 O ATOM 649 CB ARG A 74 -6.803 -3.461 -11.400 1.00 10.00 C ATOM 650 CG ARG A 74 -8.113 -3.697 -12.132 1.00 10.00 C ATOM 651 CD ARG A 74 -9.124 -2.605 -11.793 1.00 10.00 C ATOM 652 NE ARG A 74 -10.301 -2.624 -12.666 1.00 10.00 N ATOM 653 CZ ARG A 74 -11.281 -1.709 -12.616 1.00 10.00 C ATOM 654 NH1 ARG A 74 -11.222 -0.715 -11.738 1.00 10.00 N ATOM 655 NH2 ARG A 74 -12.313 -1.784 -13.451 1.00 10.00 N ATOM 656 HE ARG A 74 -10.381 -3.391 -13.364 1.00 0.00 H ATOM 657 HH12 ARG A 74 -11.983 -0.007 -11.702 1.00 0.00 H ATOM 658 HH11 ARG A 74 -10.415 -0.644 -11.086 1.00 0.00 H ATOM 659 HH22 ARG A 74 -13.070 -1.072 -13.408 1.00 0.00 H ATOM 660 HH21 ARG A 74 -12.363 -2.555 -14.147 1.00 0.00 H ATOM 661 H ARG A 74 -6.973 -5.965 -10.716 1.00 0.00 H ATOM 662 N LYS A 75 -4.247 -3.595 -9.963 1.00 10.00 N ATOM 663 CA LYS A 75 -3.045 -2.976 -9.406 1.00 10.00 C ATOM 664 C LYS A 75 -1.800 -3.830 -9.629 1.00 10.00 C ATOM 665 O LYS A 75 -0.704 -3.307 -9.837 1.00 10.00 O ATOM 666 CB LYS A 75 -3.242 -2.739 -7.912 1.00 10.00 C ATOM 667 CG LYS A 75 -2.391 -1.613 -7.349 1.00 10.00 C ATOM 668 CD LYS A 75 -2.944 -0.253 -7.742 1.00 10.00 C ATOM 669 CE LYS A 75 -2.100 0.870 -7.169 1.00 10.00 C ATOM 670 NZ LYS A 75 -2.806 2.178 -7.224 1.00 10.00 N ATOM 671 HZ1 LYS A 75 -3.028 2.409 -8.213 1.00 0.00 H ATOM 672 HZ2 LYS A 75 -3.687 2.119 -6.674 1.00 0.00 H ATOM 673 HZ3 LYS A 75 -2.195 2.918 -6.823 1.00 0.00 H ATOM 674 H LYS A 75 -5.038 -3.815 -9.325 1.00 0.00 H ATOM 675 N MET A 76 -1.974 -5.140 -9.603 1.00 10.00 N ATOM 676 CA MET A 76 -0.860 -6.064 -9.782 1.00 10.00 C ATOM 677 C MET A 76 -0.406 -6.114 -11.242 1.00 10.00 C ATOM 678 O MET A 76 0.644 -6.671 -11.556 1.00 10.00 O ATOM 679 CB MET A 76 -1.250 -7.461 -9.302 1.00 10.00 C ATOM 680 CG MET A 76 -0.062 -8.303 -8.879 1.00 10.00 C ATOM 681 SD MET A 76 -0.546 -9.926 -8.262 1.00 10.00 S ATOM 682 CE MET A 76 1.004 -10.501 -7.569 1.00 10.00 C ATOM 683 H MET A 76 -2.930 -5.521 -9.451 1.00 0.00 H ATOM 684 N LYS A 77 -1.208 -5.539 -12.125 1.00 10.00 N ATOM 685 CA LYS A 77 -0.889 -5.505 -13.546 1.00 10.00 C ATOM 686 C LYS A 77 -0.587 -4.077 -13.991 1.00 10.00 C ATOM 687 O LYS A 77 0.253 -3.845 -14.860 1.00 10.00 O ATOM 688 CB LYS A 77 -2.052 -6.069 -14.372 1.00 10.00 C ATOM 689 CG LYS A 77 -2.449 -7.488 -13.992 1.00 10.00 C ATOM 690 CD LYS A 77 -3.325 -8.140 -15.058 1.00 10.00 C ATOM 691 CE LYS A 77 -4.568 -7.314 -15.359 1.00 10.00 C ATOM 692 NZ LYS A 77 -5.470 -7.997 -16.324 1.00 10.00 N ATOM 693 HZ1 LYS A 77 -4.962 -8.158 -17.217 1.00 0.00 H ATOM 694 HZ2 LYS A 77 -5.774 -8.909 -15.927 1.00 0.00 H ATOM 695 HZ3 LYS A 77 -6.303 -7.400 -16.500 1.00 0.00 H ATOM 696 H LYS A 77 -2.091 -5.099 -11.795 1.00 0.00 H ATOM 697 N ASP A 78 -1.269 -3.126 -13.374 1.00 10.00 N ATOM 698 CA ASP A 78 -1.109 -1.709 -13.698 1.00 10.00 C ATOM 699 C ASP A 78 -0.086 -1.039 -12.793 1.00 10.00 C ATOM 700 O ASP A 78 -0.119 0.180 -12.608 1.00 10.00 O ATOM 701 CB ASP A 78 -2.452 -0.977 -13.572 1.00 10.00 C ATOM 702 CG ASP A 78 -3.316 -1.112 -14.809 1.00 10.00 C ATOM 703 OD1 ASP A 78 -2.941 -0.551 -15.863 1.00 10.00 O ATOM 704 OD2 ASP A 78 -4.382 -1.763 -14.735 1.00 10.00 O ATOM 705 H ASP A 78 -1.944 -3.396 -12.631 1.00 0.00 H ATOM 706 N THR A 79 0.820 -1.833 -12.238 1.00 10.00 N ATOM 707 CA THR A 79 1.857 -1.317 -11.357 1.00 10.00 C ATOM 708 C THR A 79 2.731 -0.301 -12.089 1.00 10.00 C ATOM 709 O THR A 79 2.863 0.844 -11.652 1.00 10.00 O ATOM 710 CB THR A 79 2.733 -2.457 -10.821 1.00 10.00 C ATOM 711 OG1 THR A 79 1.931 -3.629 -10.615 1.00 10.00 O ATOM 712 CG2 THR A 79 3.404 -2.059 -9.517 1.00 10.00 C ATOM 713 HG1 THR A 79 1.217 -3.428 -9.960 1.00 0.00 H ATOM 714 H THR A 79 0.788 -2.853 -12.438 1.00 0.00 H ATOM 715 N ASP A 80 3.313 -0.716 -13.211 1.00 10.00 N ATOM 716 CA ASP A 80 4.146 0.180 -14.003 1.00 10.00 C ATOM 717 C ASP A 80 3.265 1.015 -14.917 1.00 10.00 C ATOM 718 O ASP A 80 2.983 0.634 -16.056 1.00 10.00 O ATOM 719 CB ASP A 80 5.175 -0.592 -14.830 1.00 10.00 C ATOM 720 CG ASP A 80 5.929 0.303 -15.808 1.00 10.00 C ATOM 721 OD1 ASP A 80 6.338 1.420 -15.414 1.00 10.00 O ATOM 722 OD2 ASP A 80 6.111 -0.105 -16.977 1.00 10.00 O ATOM 723 H ASP A 80 3.171 -1.696 -13.528 1.00 0.00 H ATOM 724 N SER A 81 2.799 2.133 -14.399 1.00 10.00 N ATOM 725 CA SER A 81 1.940 3.016 -15.161 1.00 10.00 C ATOM 726 C SER A 81 2.569 4.389 -15.300 1.00 10.00 C ATOM 727 O SER A 81 3.130 4.725 -16.346 1.00 10.00 O ATOM 728 CB SER A 81 0.580 3.112 -14.481 1.00 10.00 C ATOM 729 OG SER A 81 0.706 2.820 -13.101 1.00 10.00 O ATOM 730 HG SER A 81 1.062 1.903 -12.990 1.00 0.00 H ATOM 731 H SER A 81 3.053 2.387 -13.423 1.00 0.00 H ATOM 732 N GLU A 82 2.518 5.180 -14.227 1.00 10.00 N ATOM 733 CA GLU A 82 3.068 6.520 -14.232 1.00 10.00 C ATOM 734 C GLU A 82 2.972 7.122 -12.826 1.00 10.00 C ATOM 735 O GLU A 82 3.861 6.934 -11.996 1.00 10.00 O ATOM 736 CB GLU A 82 2.326 7.410 -15.238 1.00 10.00 C ATOM 737 CG GLU A 82 3.045 8.708 -15.557 1.00 10.00 C ATOM 738 CD GLU A 82 4.317 8.495 -16.349 1.00 10.00 C ATOM 739 OE1 GLU A 82 4.265 8.582 -17.597 1.00 10.00 O ATOM 740 OE2 GLU A 82 5.376 8.254 -15.730 1.00 10.00 O ATOM 741 H GLU A 82 2.069 4.823 -13.359 1.00 0.00 H ATOM 742 N GLU A 83 1.858 7.799 -12.545 1.00 10.00 N ATOM 743 CA GLU A 83 1.654 8.429 -11.248 1.00 10.00 C ATOM 744 C GLU A 83 1.435 7.391 -10.146 1.00 10.00 C ATOM 745 O GLU A 83 1.650 7.677 -8.975 1.00 10.00 O ATOM 746 CB GLU A 83 0.473 9.399 -11.300 1.00 10.00 C ATOM 747 CG GLU A 83 -0.856 8.728 -11.608 1.00 10.00 C ATOM 748 CD GLU A 83 -2.032 9.672 -11.459 1.00 10.00 C ATOM 749 OE1 GLU A 83 -2.644 10.039 -12.487 1.00 10.00 O ATOM 750 OE2 GLU A 83 -2.356 10.046 -10.313 1.00 10.00 O ATOM 751 H GLU A 83 1.117 7.879 -13.270 1.00 0.00 H ATOM 752 N GLU A 84 1.025 6.182 -10.526 1.00 10.00 N ATOM 753 CA GLU A 84 0.787 5.112 -9.555 1.00 10.00 C ATOM 754 C GLU A 84 2.069 4.777 -8.792 1.00 10.00 C ATOM 755 O GLU A 84 2.027 4.345 -7.641 1.00 10.00 O ATOM 756 CB GLU A 84 0.251 3.860 -10.250 1.00 10.00 C ATOM 757 CG GLU A 84 -1.026 4.107 -11.040 1.00 10.00 C ATOM 758 CD GLU A 84 -2.280 4.032 -10.193 1.00 10.00 C ATOM 759 OE1 GLU A 84 -2.592 2.942 -9.678 1.00 10.00 O ATOM 760 OE2 GLU A 84 -2.965 5.066 -10.059 1.00 10.00 O ATOM 761 H GLU A 84 0.870 5.993 -11.537 1.00 0.00 H ATOM 762 N ILE A 85 3.212 4.990 -9.438 1.00 10.00 N ATOM 763 CA ILE A 85 4.504 4.729 -8.816 1.00 10.00 C ATOM 764 C ILE A 85 4.805 5.827 -7.794 1.00 10.00 C ATOM 765 O ILE A 85 5.476 5.609 -6.773 1.00 10.00 O ATOM 766 CB ILE A 85 5.627 4.657 -9.878 1.00 10.00 C ATOM 767 CG1 ILE A 85 5.300 3.573 -10.910 1.00 10.00 C ATOM 768 CG2 ILE A 85 6.976 4.383 -9.228 1.00 10.00 C ATOM 769 CD1 ILE A 85 6.274 3.512 -12.069 1.00 10.00 C ATOM 770 H ILE A 85 3.183 5.352 -10.412 1.00 0.00 H ATOM 771 N ARG A 86 4.204 6.987 -8.025 1.00 10.00 N ATOM 772 CA ARG A 86 4.391 8.129 -7.154 1.00 10.00 C ATOM 773 C ARG A 86 3.375 8.028 -6.029 1.00 10.00 C ATOM 774 O ARG A 86 3.597 8.508 -4.920 1.00 10.00 O ATOM 775 CB ARG A 86 4.206 9.430 -7.940 1.00 10.00 C ATOM 776 CG ARG A 86 4.374 10.688 -7.104 1.00 10.00 C ATOM 777 CD ARG A 86 5.814 10.874 -6.657 1.00 10.00 C ATOM 778 NE ARG A 86 5.938 11.943 -5.661 1.00 10.00 N ATOM 779 CZ ARG A 86 7.088 12.517 -5.319 1.00 10.00 C ATOM 780 NH1 ARG A 86 8.227 12.133 -5.890 1.00 10.00 N ATOM 781 NH2 ARG A 86 7.098 13.481 -4.403 1.00 10.00 N ATOM 782 HE ARG A 86 5.071 12.274 -5.192 1.00 0.00 H ATOM 783 HH12 ARG A 86 9.123 12.586 -5.619 1.00 0.00 H ATOM 784 HH11 ARG A 86 8.221 11.380 -6.608 1.00 0.00 H ATOM 785 HH22 ARG A 86 7.995 13.932 -4.133 1.00 0.00 H ATOM 786 HH21 ARG A 86 6.209 13.784 -3.957 1.00 0.00 H ATOM 787 H ARG A 86 3.582 7.079 -8.853 1.00 0.00 H ATOM 788 N GLU A 87 2.262 7.382 -6.348 1.00 10.00 N ATOM 789 CA GLU A 87 1.181 7.160 -5.406 1.00 10.00 C ATOM 790 C GLU A 87 1.678 6.362 -4.214 1.00 10.00 C ATOM 791 O GLU A 87 1.588 6.816 -3.075 1.00 10.00 O ATOM 792 CB GLU A 87 0.043 6.406 -6.090 1.00 10.00 C ATOM 793 CG GLU A 87 -1.075 5.993 -5.145 1.00 10.00 C ATOM 794 CD GLU A 87 -1.832 4.784 -5.650 1.00 10.00 C ATOM 795 OE1 GLU A 87 -2.929 4.959 -6.216 1.00 10.00 O ATOM 796 OE2 GLU A 87 -1.327 3.653 -5.497 1.00 10.00 O ATOM 797 H GLU A 87 2.159 7.018 -7.317 1.00 0.00 H ATOM 798 N ALA A 88 2.224 5.175 -4.474 1.00 10.00 N ATOM 799 CA ALA A 88 2.739 4.338 -3.405 1.00 10.00 C ATOM 800 C ALA A 88 3.858 5.070 -2.684 1.00 10.00 C ATOM 801 O ALA A 88 3.924 5.074 -1.454 1.00 10.00 O ATOM 802 CB ALA A 88 3.225 3.013 -3.961 1.00 10.00 C ATOM 803 H ALA A 88 2.282 4.843 -5.458 1.00 0.00 H ATOM 804 N PHE A 89 4.726 5.714 -3.458 1.00 10.00 N ATOM 805 CA PHE A 89 5.820 6.482 -2.879 1.00 10.00 C ATOM 806 C PHE A 89 5.269 7.550 -1.928 1.00 10.00 C ATOM 807 O PHE A 89 5.889 7.884 -0.920 1.00 10.00 O ATOM 808 CB PHE A 89 6.644 7.133 -3.991 1.00 10.00 C ATOM 809 CG PHE A 89 7.980 7.640 -3.540 1.00 10.00 C ATOM 810 CD1 PHE A 89 8.203 8.997 -3.389 1.00 10.00 C ATOM 811 CD2 PHE A 89 9.012 6.757 -3.266 1.00 10.00 C ATOM 812 CE1 PHE A 89 9.432 9.467 -2.971 1.00 10.00 C ATOM 813 CE2 PHE A 89 10.239 7.220 -2.848 1.00 10.00 C ATOM 814 CZ PHE A 89 10.449 8.578 -2.700 1.00 10.00 C ATOM 815 H PHE A 89 4.622 5.669 -4.492 1.00 0.00 H ATOM 816 N ARG A 90 4.087 8.065 -2.258 1.00 10.00 N ATOM 817 CA ARG A 90 3.425 9.084 -1.449 1.00 10.00 C ATOM 818 C ARG A 90 2.885 8.478 -0.156 1.00 10.00 C ATOM 819 O ARG A 90 2.772 9.162 0.857 1.00 10.00 O ATOM 820 CB ARG A 90 2.275 9.725 -2.237 1.00 10.00 C ATOM 821 CG ARG A 90 1.522 10.796 -1.465 1.00 10.00 C ATOM 822 CD ARG A 90 0.161 11.078 -2.087 1.00 10.00 C ATOM 823 NE ARG A 90 -0.729 9.920 -2.013 1.00 10.00 N ATOM 824 CZ ARG A 90 -1.615 9.596 -2.957 1.00 10.00 C ATOM 825 NH1 ARG A 90 -1.740 10.343 -4.049 1.00 10.00 N ATOM 826 NH2 ARG A 90 -2.381 8.522 -2.811 1.00 10.00 N ATOM 827 HE ARG A 90 -0.668 9.311 -1.172 1.00 0.00 H ATOM 828 HH12 ARG A 90 -2.433 10.084 -4.780 1.00 0.00 H ATOM 829 HH11 ARG A 90 -1.145 11.187 -4.173 1.00 0.00 H ATOM 830 HH22 ARG A 90 -3.071 8.271 -3.548 1.00 0.00 H ATOM 831 HH21 ARG A 90 -2.291 7.931 -1.960 1.00 0.00 H ATOM 832 H ARG A 90 3.618 7.729 -3.123 1.00 0.00 H ATOM 833 N VAL A 91 2.565 7.186 -0.184 1.00 10.00 N ATOM 834 CA VAL A 91 2.032 6.513 0.997 1.00 10.00 C ATOM 835 C VAL A 91 3.155 5.792 1.738 1.00 10.00 C ATOM 836 O VAL A 91 2.929 5.141 2.754 1.00 10.00 O ATOM 837 CB VAL A 91 0.928 5.487 0.641 1.00 10.00 C ATOM 838 CG1 VAL A 91 0.038 5.218 1.844 1.00 10.00 C ATOM 839 CG2 VAL A 91 0.099 5.961 -0.538 1.00 10.00 C ATOM 840 H VAL A 91 2.697 6.646 -1.063 1.00 0.00 H ATOM 841 N PHE A 92 4.373 5.931 1.233 1.00 10.00 N ATOM 842 CA PHE A 92 5.531 5.288 1.841 1.00 10.00 C ATOM 843 C PHE A 92 6.486 6.345 2.372 1.00 10.00 C ATOM 844 O PHE A 92 7.594 6.043 2.810 1.00 10.00 O ATOM 845 CB PHE A 92 6.243 4.395 0.832 1.00 10.00 C ATOM 846 CG PHE A 92 5.749 2.977 0.840 1.00 10.00 C ATOM 847 CD1 PHE A 92 6.611 1.939 1.141 1.00 10.00 C ATOM 848 CD2 PHE A 92 4.427 2.683 0.549 1.00 10.00 C ATOM 849 CE1 PHE A 92 6.168 0.633 1.151 1.00 10.00 C ATOM 850 CE2 PHE A 92 3.979 1.379 0.559 1.00 10.00 C ATOM 851 CZ PHE A 92 4.851 0.355 0.860 1.00 10.00 C ATOM 852 H PHE A 92 4.505 6.513 0.382 1.00 0.00 H ATOM 853 N ASP A 93 6.016 7.579 2.352 1.00 10.00 N ATOM 854 CA ASP A 93 6.789 8.723 2.815 1.00 10.00 C ATOM 855 C ASP A 93 5.882 9.605 3.659 1.00 10.00 C ATOM 856 O ASP A 93 4.660 9.574 3.493 1.00 10.00 O ATOM 857 CB ASP A 93 7.372 9.505 1.626 1.00 10.00 C ATOM 858 CG ASP A 93 8.528 10.403 2.026 1.00 10.00 C ATOM 859 OD1 ASP A 93 9.693 9.937 2.050 1.00 10.00 O ATOM 860 OD2 ASP A 93 8.286 11.582 2.329 1.00 10.00 O ATOM 861 H ASP A 93 5.054 7.740 1.991 1.00 0.00 H ATOM 862 N LYS A 94 6.451 10.376 4.565 1.00 10.00 N ATOM 863 CA LYS A 94 5.655 11.223 5.431 1.00 10.00 C ATOM 864 C LYS A 94 6.286 12.604 5.566 1.00 10.00 C ATOM 865 O LYS A 94 5.582 13.611 5.576 1.00 10.00 O ATOM 866 CB LYS A 94 5.517 10.578 6.806 1.00 10.00 C ATOM 867 CG LYS A 94 4.538 11.290 7.725 1.00 10.00 C ATOM 868 CD LYS A 94 4.384 10.560 9.048 1.00 10.00 C ATOM 869 CE LYS A 94 3.249 11.138 9.877 1.00 10.00 C ATOM 870 NZ LYS A 94 3.561 12.498 10.395 1.00 10.00 N ATOM 871 HZ1 LYS A 94 4.408 12.453 10.996 1.00 0.00 H ATOM 872 HZ2 LYS A 94 3.736 13.140 9.596 1.00 0.00 H ATOM 873 HZ3 LYS A 94 2.756 12.848 10.953 1.00 0.00 H ATOM 874 H LYS A 94 7.487 10.376 4.660 1.00 0.00 H ATOM 875 N ASP A 95 7.607 12.644 5.640 1.00 10.00 N ATOM 876 CA ASP A 95 8.323 13.916 5.790 1.00 10.00 C ATOM 877 C ASP A 95 8.291 14.723 4.492 1.00 10.00 C ATOM 878 O ASP A 95 8.403 15.952 4.515 1.00 10.00 O ATOM 879 CB ASP A 95 9.778 13.702 6.245 1.00 10.00 C ATOM 880 CG ASP A 95 10.588 12.767 5.357 1.00 10.00 C ATOM 881 OD1 ASP A 95 10.363 12.728 4.137 1.00 10.00 O ATOM 882 OD2 ASP A 95 11.459 12.038 5.876 1.00 10.00 O ATOM 883 H ASP A 95 8.148 11.757 5.591 1.00 0.00 H ATOM 884 N GLY A 96 8.121 14.032 3.372 1.00 10.00 N ATOM 885 CA GLY A 96 8.096 14.693 2.090 1.00 10.00 C ATOM 886 C GLY A 96 9.461 15.250 1.756 1.00 10.00 C ATOM 887 O GLY A 96 9.632 16.465 1.647 1.00 10.00 O ATOM 888 H GLY A 96 8.004 13.000 3.419 1.00 0.00 H ATOM 889 N ASN A 97 10.439 14.367 1.593 1.00 10.00 N ATOM 890 CA ASN A 97 11.800 14.793 1.295 1.00 10.00 C ATOM 891 C ASN A 97 12.330 14.116 0.037 1.00 10.00 C ATOM 892 O ASN A 97 13.248 14.624 -0.603 1.00 10.00 O ATOM 893 CB ASN A 97 12.731 14.535 2.490 1.00 10.00 C ATOM 894 CG ASN A 97 13.019 13.061 2.757 1.00 10.00 C ATOM 895 OD1 ASN A 97 12.282 12.165 2.325 1.00 10.00 O ATOM 896 ND2 ASN A 97 14.086 12.799 3.494 1.00 10.00 N ATOM 897 HD22 ASN A 97 14.683 13.577 3.840 1.00 0.00 H ATOM 898 HD21 ASN A 97 14.328 11.815 3.727 1.00 0.00 H ATOM 899 H ASN A 97 10.230 13.352 1.680 1.00 0.00 H ATOM 900 N GLY A 98 11.762 12.969 -0.316 1.00 10.00 N ATOM 901 CA GLY A 98 12.188 12.290 -1.523 1.00 10.00 C ATOM 902 C GLY A 98 12.738 10.891 -1.304 1.00 10.00 C ATOM 903 O GLY A 98 12.956 10.167 -2.275 1.00 10.00 O ATOM 904 H GLY A 98 11.011 12.558 0.274 1.00 0.00 H ATOM 905 N TYR A 99 12.988 10.495 -0.052 1.00 10.00 N ATOM 906 CA TYR A 99 13.510 9.153 0.218 1.00 10.00 C ATOM 907 C TYR A 99 13.074 8.640 1.594 1.00 10.00 C ATOM 908 O TYR A 99 12.772 9.427 2.501 1.00 10.00 O ATOM 909 CB TYR A 99 15.043 9.118 0.114 1.00 10.00 C ATOM 910 CG TYR A 99 15.719 10.476 0.059 1.00 10.00 C ATOM 911 CD1 TYR A 99 15.762 11.297 1.178 1.00 10.00 C ATOM 912 CD2 TYR A 99 16.330 10.924 -1.107 1.00 10.00 C ATOM 913 CE1 TYR A 99 16.389 12.524 1.140 1.00 10.00 C ATOM 914 CE2 TYR A 99 16.960 12.155 -1.152 1.00 10.00 C ATOM 915 CZ TYR A 99 16.987 12.949 -0.025 1.00 10.00 C ATOM 916 OH TYR A 99 17.614 14.169 -0.064 1.00 10.00 O ATOM 917 HH TYR A 99 17.541 14.605 0.822 1.00 0.00 H ATOM 918 H TYR A 99 12.810 11.147 0.739 1.00 0.00 H ATOM 919 N ILE A 100 13.010 7.314 1.732 1.00 10.00 N ATOM 920 CA ILE A 100 12.606 6.675 2.983 1.00 10.00 C ATOM 921 C ILE A 100 13.602 5.589 3.413 1.00 10.00 C ATOM 922 O ILE A 100 14.194 4.908 2.577 1.00 10.00 O ATOM 923 CB ILE A 100 11.210 6.013 2.853 1.00 10.00 C ATOM 924 CG1 ILE A 100 10.396 6.643 1.720 1.00 10.00 C ATOM 925 CG2 ILE A 100 10.451 6.105 4.164 1.00 10.00 C ATOM 926 CD1 ILE A 100 10.523 5.910 0.403 1.00 10.00 C ATOM 927 H ILE A 100 13.257 6.713 0.920 1.00 0.00 H ATOM 928 N SER A 101 13.765 5.440 4.728 1.00 10.00 N ATOM 929 CA SER A 101 14.655 4.433 5.323 1.00 10.00 C ATOM 930 C SER A 101 13.996 3.893 6.602 1.00 10.00 C ATOM 931 O SER A 101 12.799 3.610 6.584 1.00 10.00 O ATOM 932 CB SER A 101 16.016 5.061 5.625 1.00 10.00 C ATOM 933 OG SER A 101 15.867 6.380 6.128 1.00 10.00 O ATOM 934 HG SER A 101 16.760 6.763 6.315 1.00 0.00 H ATOM 935 H SER A 101 13.235 6.068 5.365 1.00 0.00 H ATOM 936 N ALA A 102 14.730 3.768 7.725 1.00 10.00 N ATOM 937 CA ALA A 102 14.133 3.315 8.998 1.00 10.00 C ATOM 938 C ALA A 102 13.433 4.506 9.657 1.00 10.00 C ATOM 939 O ALA A 102 13.380 4.671 10.877 1.00 10.00 O ATOM 940 CB ALA A 102 15.200 2.730 9.912 1.00 10.00 C ATOM 941 H ALA A 102 15.744 3.997 7.695 1.00 0.00 H ATOM 942 N ALA A 103 12.887 5.288 8.765 1.00 10.00 N ATOM 943 CA ALA A 103 12.193 6.511 9.086 1.00 10.00 C ATOM 944 C ALA A 103 10.684 6.309 9.086 1.00 10.00 C ATOM 945 O ALA A 103 10.144 5.513 9.856 1.00 10.00 O ATOM 946 CB ALA A 103 12.603 7.614 8.119 1.00 10.00 C ATOM 947 H ALA A 103 12.957 5.013 7.764 1.00 0.00 H ATOM 948 N GLU A 104 10.019 7.016 8.191 1.00 10.00 N ATOM 949 CA GLU A 104 8.568 6.971 8.079 1.00 10.00 C ATOM 950 C GLU A 104 8.047 5.616 7.608 1.00 10.00 C ATOM 951 O GLU A 104 6.842 5.385 7.618 1.00 10.00 O ATOM 952 CB GLU A 104 8.099 8.065 7.124 1.00 10.00 C ATOM 953 CG GLU A 104 8.993 9.296 7.145 1.00 10.00 C ATOM 954 CD GLU A 104 9.649 9.551 5.809 1.00 10.00 C ATOM 955 OE1 GLU A 104 10.759 9.041 5.562 1.00 10.00 O ATOM 956 OE2 GLU A 104 9.069 10.282 4.990 1.00 10.00 O ATOM 957 H GLU A 104 10.552 7.629 7.541 1.00 0.00 H ATOM 958 N LEU A 105 8.944 4.713 7.232 1.00 10.00 N ATOM 959 CA LEU A 105 8.535 3.398 6.759 1.00 10.00 C ATOM 960 C LEU A 105 7.821 2.633 7.867 1.00 10.00 C ATOM 961 O LEU A 105 6.686 2.194 7.694 1.00 10.00 O ATOM 962 CB LEU A 105 9.751 2.616 6.258 1.00 10.00 C ATOM 963 CG LEU A 105 9.496 1.718 5.046 1.00 10.00 C ATOM 964 CD1 LEU A 105 8.468 2.344 4.116 1.00 10.00 C ATOM 965 CD2 LEU A 105 10.798 1.463 4.303 1.00 10.00 C ATOM 966 H LEU A 105 9.956 4.949 7.276 1.00 0.00 H ATOM 967 N ARG A 106 8.497 2.472 8.998 1.00 10.00 N ATOM 968 CA ARG A 106 7.929 1.780 10.153 1.00 10.00 C ATOM 969 C ARG A 106 6.560 2.347 10.517 1.00 10.00 C ATOM 970 O ARG A 106 5.624 1.594 10.785 1.00 10.00 O ATOM 971 CB ARG A 106 8.877 1.896 11.349 1.00 10.00 C ATOM 972 CG ARG A 106 8.499 1.014 12.531 1.00 10.00 C ATOM 973 CD ARG A 106 9.438 1.230 13.709 1.00 10.00 C ATOM 974 NE ARG A 106 10.824 0.859 13.395 1.00 10.00 N ATOM 975 CZ ARG A 106 11.794 1.740 13.129 1.00 10.00 C ATOM 976 NH1 ARG A 106 11.533 3.042 13.121 1.00 10.00 N ATOM 977 NH2 ARG A 106 13.035 1.326 12.913 1.00 10.00 N ATOM 978 HE ARG A 106 11.066 -0.152 13.379 1.00 0.00 H ATOM 979 HH12 ARG A 106 12.291 3.723 12.913 1.00 0.00 H ATOM 980 HH11 ARG A 106 10.570 3.381 13.322 1.00 0.00 H ATOM 981 HH22 ARG A 106 13.785 2.016 12.707 1.00 0.00 H ATOM 982 HH21 ARG A 106 13.258 0.311 12.950 1.00 0.00 H ATOM 983 H ARG A 106 9.463 2.851 9.064 1.00 0.00 H ATOM 984 N HIS A 107 6.450 3.676 10.500 1.00 10.00 N ATOM 985 CA HIS A 107 5.196 4.356 10.829 1.00 10.00 C ATOM 986 C HIS A 107 4.094 3.971 9.841 1.00 10.00 C ATOM 987 O HIS A 107 2.941 3.766 10.230 1.00 10.00 O ATOM 988 CB HIS A 107 5.403 5.881 10.834 1.00 10.00 C ATOM 989 CG HIS A 107 4.230 6.664 11.342 1.00 10.00 C ATOM 990 ND1 HIS A 107 4.162 7.104 12.645 1.00 10.00 N ATOM 991 CD2 HIS A 107 3.112 7.058 10.685 1.00 10.00 C ATOM 992 CE1 HIS A 107 3.012 7.747 12.748 1.00 10.00 C ATOM 993 NE2 HIS A 107 2.346 7.742 11.585 1.00 10.00 N ATOM 994 H HIS A 107 7.281 4.247 10.245 1.00 0.00 H ATOM 995 N VAL A 108 4.461 3.863 8.564 1.00 10.00 N ATOM 996 CA VAL A 108 3.517 3.504 7.511 1.00 10.00 C ATOM 997 C VAL A 108 2.911 2.122 7.745 1.00 10.00 C ATOM 998 O VAL A 108 1.688 1.968 7.748 1.00 10.00 O ATOM 999 CB VAL A 108 4.181 3.532 6.115 1.00 10.00 C ATOM 1000 CG1 VAL A 108 3.294 2.855 5.073 1.00 10.00 C ATOM 1001 CG2 VAL A 108 4.482 4.962 5.697 1.00 10.00 C ATOM 1002 H VAL A 108 5.454 4.041 8.310 1.00 0.00 H ATOM 1003 N MET A 109 3.762 1.130 7.971 1.00 10.00 N ATOM 1004 CA MET A 109 3.305 -0.242 8.173 1.00 10.00 C ATOM 1005 C MET A 109 2.383 -0.361 9.382 1.00 10.00 C ATOM 1006 O MET A 109 1.292 -0.930 9.286 1.00 10.00 O ATOM 1007 CB MET A 109 4.504 -1.182 8.332 1.00 10.00 C ATOM 1008 CG MET A 109 5.095 -1.654 7.009 1.00 10.00 C ATOM 1009 SD MET A 109 5.962 -0.349 6.119 1.00 10.00 S ATOM 1010 CE MET A 109 6.447 -1.216 4.630 1.00 10.00 C ATOM 1011 H MET A 109 4.781 1.335 8.005 1.00 0.00 H ATOM 1012 N THR A 110 2.834 0.165 10.515 1.00 10.00 N ATOM 1013 CA THR A 110 2.060 0.127 11.754 1.00 10.00 C ATOM 1014 C THR A 110 0.676 0.786 11.616 1.00 10.00 C ATOM 1015 O THR A 110 -0.247 0.460 12.364 1.00 10.00 O ATOM 1016 CB THR A 110 2.842 0.811 12.896 1.00 10.00 C ATOM 1017 OG1 THR A 110 4.203 0.356 12.896 1.00 10.00 O ATOM 1018 CG2 THR A 110 2.217 0.514 14.250 1.00 10.00 C ATOM 1019 HG1 THR A 110 4.625 0.582 12.029 1.00 0.00 H ATOM 1020 H THR A 110 3.770 0.619 10.521 1.00 0.00 H ATOM 1021 N ASN A 111 0.514 1.688 10.653 1.00 10.00 N ATOM 1022 CA ASN A 111 -0.768 2.370 10.476 1.00 10.00 C ATOM 1023 C ASN A 111 -1.516 1.891 9.231 1.00 10.00 C ATOM 1024 O ASN A 111 -2.586 2.408 8.914 1.00 10.00 O ATOM 1025 CB ASN A 111 -0.562 3.888 10.412 1.00 10.00 C ATOM 1026 CG ASN A 111 -0.258 4.491 11.771 1.00 10.00 C ATOM 1027 OD1 ASN A 111 -1.165 4.880 12.515 1.00 10.00 O ATOM 1028 ND2 ASN A 111 1.017 4.577 12.109 1.00 10.00 N ATOM 1029 HD22 ASN A 111 1.752 4.239 11.456 1.00 0.00 H ATOM 1030 HD21 ASN A 111 1.285 4.983 13.028 1.00 0.00 H ATOM 1031 H ASN A 111 1.307 1.911 10.019 1.00 0.00 H ATOM 1032 N LEU A 112 -0.963 0.906 8.532 1.00 10.00 N ATOM 1033 CA LEU A 112 -1.602 0.376 7.328 1.00 10.00 C ATOM 1034 C LEU A 112 -2.042 -1.070 7.520 1.00 10.00 C ATOM 1035 O LEU A 112 -3.200 -1.408 7.282 1.00 10.00 O ATOM 1036 CB LEU A 112 -0.669 0.482 6.122 1.00 10.00 C ATOM 1037 CG LEU A 112 -1.059 1.552 5.095 1.00 10.00 C ATOM 1038 CD1 LEU A 112 -0.094 1.546 3.922 1.00 10.00 C ATOM 1039 CD2 LEU A 112 -2.486 1.329 4.610 1.00 10.00 C ATOM 1040 H LEU A 112 -0.057 0.504 8.847 1.00 0.00 H ATOM 1041 N GLY A 113 -1.119 -1.924 7.939 1.00 10.00 N ATOM 1042 CA GLY A 113 -1.461 -3.316 8.153 1.00 10.00 C ATOM 1043 C GLY A 113 -0.430 -4.277 7.597 1.00 10.00 C ATOM 1044 O GLY A 113 -0.743 -5.086 6.724 1.00 10.00 O ATOM 1045 H GLY A 113 -0.148 -1.595 8.114 1.00 0.00 H ATOM 1046 N GLU A 114 0.799 -4.187 8.100 1.00 10.00 N ATOM 1047 CA GLU A 114 1.887 -5.064 7.665 1.00 10.00 C ATOM 1048 C GLU A 114 2.900 -5.244 8.790 1.00 10.00 C ATOM 1049 O GLU A 114 3.360 -4.263 9.388 1.00 10.00 O ATOM 1050 CB GLU A 114 2.589 -4.487 6.433 1.00 10.00 C ATOM 1051 CG GLU A 114 1.944 -4.881 5.112 1.00 10.00 C ATOM 1052 CD GLU A 114 2.274 -6.302 4.702 1.00 10.00 C ATOM 1053 OE1 GLU A 114 3.208 -6.493 3.900 1.00 10.00 O ATOM 1054 OE2 GLU A 114 1.597 -7.238 5.173 1.00 10.00 O ATOM 1055 H GLU A 114 0.993 -3.469 8.827 1.00 0.00 H ATOM 1056 N LYS A 115 3.238 -6.490 9.088 1.00 10.00 N ATOM 1057 CA LYS A 115 4.201 -6.768 10.138 1.00 10.00 C ATOM 1058 C LYS A 115 5.618 -6.694 9.570 1.00 10.00 C ATOM 1059 O LYS A 115 5.944 -7.379 8.597 1.00 10.00 O ATOM 1060 CB LYS A 115 3.912 -8.124 10.820 1.00 10.00 C ATOM 1061 CG LYS A 115 4.851 -9.265 10.446 1.00 10.00 C ATOM 1062 CD LYS A 115 4.247 -10.157 9.374 1.00 10.00 C ATOM 1063 CE LYS A 115 5.200 -11.268 8.973 1.00 10.00 C ATOM 1064 NZ LYS A 115 6.369 -10.753 8.223 1.00 10.00 N ATOM 1065 HZ1 LYS A 115 6.042 -10.277 7.358 1.00 0.00 H ATOM 1066 HZ2 LYS A 115 6.890 -10.076 8.817 1.00 0.00 H ATOM 1067 HZ3 LYS A 115 6.993 -11.545 7.969 1.00 0.00 H ATOM 1068 H LYS A 115 2.808 -7.278 8.563 1.00 0.00 H ATOM 1069 N LEU A 116 6.433 -5.817 10.150 1.00 10.00 N ATOM 1070 CA LEU A 116 7.810 -5.627 9.709 1.00 10.00 C ATOM 1071 C LEU A 116 8.663 -5.022 10.815 1.00 10.00 C ATOM 1072 O LEU A 116 8.567 -3.826 11.106 1.00 10.00 O ATOM 1073 CB LEU A 116 7.875 -4.700 8.490 1.00 10.00 C ATOM 1074 CG LEU A 116 7.520 -5.320 7.138 1.00 10.00 C ATOM 1075 CD1 LEU A 116 7.493 -4.241 6.075 1.00 10.00 C ATOM 1076 CD2 LEU A 116 8.518 -6.404 6.757 1.00 10.00 C ATOM 1077 H LEU A 116 6.076 -5.248 10.944 1.00 0.00 H ATOM 1078 N THR A 117 9.474 -5.851 11.444 1.00 10.00 N ATOM 1079 CA THR A 117 10.379 -5.393 12.483 1.00 10.00 C ATOM 1080 C THR A 117 11.634 -4.819 11.824 1.00 10.00 C ATOM 1081 O THR A 117 11.783 -4.921 10.608 1.00 10.00 O ATOM 1082 CB THR A 117 10.758 -6.545 13.438 1.00 10.00 C ATOM 1083 OG1 THR A 117 11.235 -7.669 12.688 1.00 10.00 O ATOM 1084 CG2 THR A 117 9.557 -6.963 14.270 1.00 10.00 C ATOM 1085 HG1 THR A 117 10.525 -7.978 12.071 1.00 0.00 H ATOM 1086 H THR A 117 9.465 -6.859 11.189 1.00 0.00 H ATOM 1087 N ASP A 118 12.503 -4.172 12.597 1.00 10.00 N ATOM 1088 CA ASP A 118 13.744 -3.586 12.065 1.00 10.00 C ATOM 1089 C ASP A 118 14.476 -4.489 11.067 1.00 10.00 C ATOM 1090 O ASP A 118 14.723 -4.081 9.937 1.00 10.00 O ATOM 1091 CB ASP A 118 14.681 -3.212 13.210 1.00 10.00 C ATOM 1092 CG ASP A 118 14.127 -2.080 14.047 1.00 10.00 C ATOM 1093 OD1 ASP A 118 14.284 -0.910 13.643 1.00 10.00 O ATOM 1094 OD2 ASP A 118 13.518 -2.356 15.107 1.00 10.00 O ATOM 1095 H ASP A 118 12.298 -4.077 13.612 1.00 0.00 H ATOM 1096 N GLU A 119 14.805 -5.716 11.467 1.00 10.00 N ATOM 1097 CA GLU A 119 15.524 -6.645 10.581 1.00 10.00 C ATOM 1098 C GLU A 119 14.676 -7.039 9.367 1.00 10.00 C ATOM 1099 O GLU A 119 15.195 -7.454 8.324 1.00 10.00 O ATOM 1100 CB GLU A 119 15.949 -7.887 11.357 1.00 10.00 C ATOM 1101 CG GLU A 119 17.110 -7.628 12.302 1.00 10.00 C ATOM 1102 CD GLU A 119 16.801 -8.018 13.731 1.00 10.00 C ATOM 1103 OE1 GLU A 119 16.571 -7.112 14.561 1.00 10.00 O ATOM 1104 OE2 GLU A 119 16.792 -9.234 14.033 1.00 10.00 O ATOM 1105 H GLU A 119 14.548 -6.024 12.426 1.00 0.00 H ATOM 1106 N GLU A 120 13.388 -6.797 9.494 1.00 10.00 N ATOM 1107 CA GLU A 120 12.451 -7.126 8.438 1.00 10.00 C ATOM 1108 C GLU A 120 12.513 -6.039 7.380 1.00 10.00 C ATOM 1109 O GLU A 120 12.654 -6.327 6.186 1.00 10.00 O ATOM 1110 CB GLU A 120 11.034 -7.318 8.974 1.00 10.00 C ATOM 1111 CG GLU A 120 10.682 -8.780 9.176 1.00 10.00 C ATOM 1112 CD GLU A 120 9.414 -8.984 9.979 1.00 10.00 C ATOM 1113 OE1 GLU A 120 9.357 -8.497 11.124 1.00 10.00 O ATOM 1114 OE2 GLU A 120 8.491 -9.665 9.487 1.00 10.00 O ATOM 1115 H GLU A 120 13.036 -6.361 10.370 1.00 0.00 H ATOM 1116 N VAL A 121 12.449 -4.777 7.808 1.00 10.00 N ATOM 1117 CA VAL A 121 12.548 -3.667 6.881 1.00 10.00 C ATOM 1118 C VAL A 121 13.971 -3.574 6.347 1.00 10.00 C ATOM 1119 O VAL A 121 14.190 -3.110 5.234 1.00 10.00 O ATOM 1120 CB VAL A 121 12.158 -2.337 7.561 1.00 10.00 C ATOM 1121 CG1 VAL A 121 12.085 -1.205 6.549 1.00 10.00 C ATOM 1122 CG2 VAL A 121 10.839 -2.486 8.299 1.00 10.00 C ATOM 1123 H VAL A 121 12.326 -4.587 8.823 1.00 0.00 H ATOM 1124 N ASP A 122 14.939 -4.015 7.155 1.00 10.00 N ATOM 1125 CA ASP A 122 16.343 -4.016 6.739 1.00 10.00 C ATOM 1126 C ASP A 122 16.471 -4.802 5.447 1.00 10.00 C ATOM 1127 O ASP A 122 17.158 -4.379 4.510 1.00 10.00 O ATOM 1128 CB ASP A 122 17.242 -4.627 7.818 1.00 10.00 C ATOM 1129 CG ASP A 122 18.675 -4.794 7.352 1.00 10.00 C ATOM 1130 OD1 ASP A 122 19.044 -5.917 6.943 1.00 10.00 O ATOM 1131 OD2 ASP A 122 19.441 -3.807 7.398 1.00 10.00 O ATOM 1132 H ASP A 122 14.690 -4.366 8.102 1.00 0.00 H ATOM 1133 N GLU A 123 15.792 -5.952 5.406 1.00 10.00 N ATOM 1134 CA GLU A 123 15.766 -6.777 4.208 1.00 10.00 C ATOM 1135 C GLU A 123 15.228 -5.932 3.057 1.00 10.00 C ATOM 1136 O GLU A 123 15.852 -5.802 2.000 1.00 10.00 O ATOM 1137 CB GLU A 123 14.869 -7.993 4.434 1.00 10.00 C ATOM 1138 CG GLU A 123 15.229 -9.188 3.574 1.00 10.00 C ATOM 1139 CD GLU A 123 16.402 -9.968 4.128 1.00 10.00 C ATOM 1140 OE1 GLU A 123 17.542 -9.726 3.695 1.00 10.00 O ATOM 1141 OE2 GLU A 123 16.190 -10.818 5.016 1.00 10.00 O ATOM 1142 H GLU A 123 15.270 -6.264 6.250 1.00 0.00 H ATOM 1143 N MET A 124 14.091 -5.297 3.325 1.00 10.00 N ATOM 1144 CA MET A 124 13.416 -4.425 2.362 1.00 10.00 C ATOM 1145 C MET A 124 14.299 -3.243 1.938 1.00 10.00 C ATOM 1146 O MET A 124 14.103 -2.664 0.864 1.00 10.00 O ATOM 1147 CB MET A 124 12.107 -3.901 2.972 1.00 10.00 C ATOM 1148 CG MET A 124 11.554 -2.651 2.298 1.00 10.00 C ATOM 1149 SD MET A 124 10.090 -2.011 3.135 1.00 10.00 S ATOM 1150 CE MET A 124 8.903 -3.300 2.757 1.00 10.00 C ATOM 1151 H MET A 124 13.661 -5.426 4.263 1.00 0.00 H ATOM 1152 N ILE A 125 15.322 -2.927 2.724 1.00 10.00 N ATOM 1153 CA ILE A 125 16.176 -1.802 2.398 1.00 10.00 C ATOM 1154 C ILE A 125 17.112 -2.229 1.287 1.00 10.00 C ATOM 1155 O ILE A 125 17.181 -1.592 0.248 1.00 10.00 O ATOM 1156 CB ILE A 125 16.984 -1.314 3.625 1.00 10.00 C ATOM 1157 CG1 ILE A 125 16.046 -0.724 4.689 1.00 10.00 C ATOM 1158 CG2 ILE A 125 18.036 -0.292 3.211 1.00 10.00 C ATOM 1159 CD1 ILE A 125 15.205 0.444 4.203 1.00 10.00 C ATOM 1160 H ILE A 125 15.511 -3.490 3.578 1.00 0.00 H ATOM 1161 N ARG A 126 17.770 -3.366 1.490 1.00 10.00 N ATOM 1162 CA ARG A 126 18.690 -3.920 0.499 1.00 10.00 C ATOM 1163 C ARG A 126 17.895 -4.522 -0.654 1.00 10.00 C ATOM 1164 O ARG A 126 18.441 -4.982 -1.654 1.00 10.00 O ATOM 1165 CB ARG A 126 19.579 -4.983 1.134 1.00 10.00 C ATOM 1166 CG ARG A 126 20.524 -4.442 2.193 1.00 10.00 C ATOM 1167 CD ARG A 126 21.125 -5.565 3.024 1.00 10.00 C ATOM 1168 NE ARG A 126 20.187 -6.094 4.012 1.00 10.00 N ATOM 1169 CZ ARG A 126 19.477 -7.215 3.856 1.00 10.00 C ATOM 1170 NH1 ARG A 126 19.577 -7.942 2.746 1.00 10.00 N ATOM 1171 NH2 ARG A 126 18.692 -7.631 4.833 1.00 10.00 N ATOM 1172 HE ARG A 126 20.064 -5.562 4.897 1.00 0.00 H ATOM 1173 HH12 ARG A 126 19.017 -8.812 2.642 1.00 0.00 H ATOM 1174 HH11 ARG A 126 20.216 -7.640 1.983 1.00 0.00 H ATOM 1175 HH22 ARG A 126 18.137 -8.503 4.718 1.00 0.00 H ATOM 1176 HH21 ARG A 126 18.629 -7.087 5.717 1.00 0.00 H ATOM 1177 H ARG A 126 17.625 -3.878 2.384 1.00 0.00 H ATOM 1178 N GLU A 127 16.589 -4.477 -0.485 1.00 10.00 N ATOM 1179 CA GLU A 127 15.658 -4.981 -1.475 1.00 10.00 C ATOM 1180 C GLU A 127 15.417 -3.911 -2.534 1.00 10.00 C ATOM 1181 O GLU A 127 15.308 -4.210 -3.722 1.00 10.00 O ATOM 1182 CB GLU A 127 14.339 -5.395 -0.819 1.00 10.00 C ATOM 1183 CG GLU A 127 13.540 -6.402 -1.634 1.00 10.00 C ATOM 1184 CD GLU A 127 14.060 -7.821 -1.487 1.00 10.00 C ATOM 1185 OE1 GLU A 127 13.320 -8.683 -0.962 1.00 10.00 O ATOM 1186 OE2 GLU A 127 15.206 -8.076 -1.916 1.00 10.00 O ATOM 1187 H GLU A 127 16.212 -4.064 0.392 1.00 0.00 H ATOM 1188 N ALA A 128 15.357 -2.656 -2.102 1.00 10.00 N ATOM 1189 CA ALA A 128 15.137 -1.545 -3.024 1.00 10.00 C ATOM 1190 C ALA A 128 16.250 -0.507 -2.937 1.00 10.00 C ATOM 1191 O ALA A 128 16.029 0.671 -3.213 1.00 10.00 O ATOM 1192 CB ALA A 128 13.787 -0.898 -2.752 1.00 10.00 C ATOM 1193 H ALA A 128 15.469 -2.461 -1.087 1.00 0.00 H ATOM 1194 N ASP A 129 17.451 -0.946 -2.597 1.00 10.00 N ATOM 1195 CA ASP A 129 18.582 -0.031 -2.470 1.00 10.00 C ATOM 1196 C ASP A 129 19.564 -0.197 -3.625 1.00 10.00 C ATOM 1197 O ASP A 129 20.757 -0.401 -3.411 1.00 10.00 O ATOM 1198 CB ASP A 129 19.305 -0.238 -1.134 1.00 10.00 C ATOM 1199 CG ASP A 129 20.329 0.839 -0.851 1.00 10.00 C ATOM 1200 OD1 ASP A 129 20.079 2.018 -1.196 1.00 10.00 O ATOM 1201 OD2 ASP A 129 21.391 0.518 -0.279 1.00 10.00 O ATOM 1202 H ASP A 129 17.592 -1.961 -2.417 1.00 0.00 H ATOM 1203 N ILE A 130 19.042 -0.194 -4.842 1.00 10.00 N ATOM 1204 CA ILE A 130 19.857 -0.293 -6.056 1.00 10.00 C ATOM 1205 C ILE A 130 21.121 0.581 -5.990 1.00 10.00 C ATOM 1206 O ILE A 130 22.232 0.093 -6.223 1.00 10.00 O ATOM 1207 CB ILE A 130 19.047 0.126 -7.304 1.00 10.00 C ATOM 1208 CG1 ILE A 130 17.614 -0.429 -7.250 1.00 10.00 C ATOM 1209 CG2 ILE A 130 19.748 -0.334 -8.574 1.00 10.00 C ATOM 1210 CD1 ILE A 130 17.540 -1.937 -7.156 1.00 10.00 C ATOM 1211 H ILE A 130 18.009 -0.118 -4.941 1.00 0.00 H ATOM 1212 N ASP A 131 20.936 1.858 -5.667 1.00 10.00 N ATOM 1213 CA ASP A 131 22.058 2.805 -5.586 1.00 10.00 C ATOM 1214 C ASP A 131 23.041 2.407 -4.484 1.00 10.00 C ATOM 1215 O ASP A 131 24.237 2.689 -4.573 1.00 10.00 O ATOM 1216 CB ASP A 131 21.550 4.249 -5.418 1.00 10.00 C ATOM 1217 CG ASP A 131 21.719 4.804 -4.021 1.00 10.00 C ATOM 1218 OD1 ASP A 131 20.735 4.766 -3.246 1.00 10.00 O ATOM 1219 OD2 ASP A 131 22.819 5.309 -3.702 1.00 10.00 O ATOM 1220 H ASP A 131 19.973 2.195 -5.467 1.00 0.00 H ATOM 1221 N GLY A 132 22.534 1.739 -3.460 1.00 10.00 N ATOM 1222 CA GLY A 132 23.375 1.265 -2.378 1.00 10.00 C ATOM 1223 C GLY A 132 23.789 2.334 -1.391 1.00 10.00 C ATOM 1224 O GLY A 132 24.984 2.560 -1.181 1.00 10.00 O ATOM 1225 H GLY A 132 21.512 1.550 -3.431 1.00 0.00 H ATOM 1226 N ASP A 133 22.823 2.983 -0.758 1.00 10.00 N ATOM 1227 CA ASP A 133 23.100 4.018 0.227 1.00 10.00 C ATOM 1228 C ASP A 133 22.322 3.703 1.497 1.00 10.00 C ATOM 1229 O ASP A 133 22.299 4.488 2.447 1.00 10.00 O ATOM 1230 CB ASP A 133 22.676 5.394 -0.305 1.00 10.00 C ATOM 1231 CG ASP A 133 21.195 5.685 -0.080 1.00 10.00 C ATOM 1232 OD1 ASP A 133 20.871 6.725 0.538 1.00 10.00 O ATOM 1233 OD2 ASP A 133 20.349 4.871 -0.515 1.00 10.00 O ATOM 1234 H ASP A 133 21.834 2.745 -0.972 1.00 0.00 H ATOM 1235 N GLY A 134 21.713 2.522 1.500 1.00 10.00 N ATOM 1236 CA GLY A 134 20.894 2.098 2.615 1.00 10.00 C ATOM 1237 C GLY A 134 19.649 2.955 2.718 1.00 10.00 C ATOM 1238 O GLY A 134 19.390 3.557 3.761 1.00 10.00 O ATOM 1239 H GLY A 134 21.827 1.889 0.683 1.00 0.00 H ATOM 1240 N GLN A 135 18.870 3.001 1.634 1.00 10.00 N ATOM 1241 CA GLN A 135 17.667 3.821 1.588 1.00 10.00 C ATOM 1242 C GLN A 135 16.865 3.533 0.317 1.00 10.00 C ATOM 1243 O GLN A 135 17.361 2.891 -0.613 1.00 10.00 O ATOM 1244 CB GLN A 135 18.061 5.305 1.628 1.00 10.00 C ATOM 1245 CG GLN A 135 16.955 6.242 2.087 1.00 10.00 C ATOM 1246 CD GLN A 135 17.457 7.639 2.391 1.00 10.00 C ATOM 1247 OE1 GLN A 135 16.836 8.384 3.149 1.00 10.00 O ATOM 1248 NE2 GLN A 135 18.592 8.005 1.811 1.00 10.00 N ATOM 1249 HE22 GLN A 135 19.088 7.347 1.176 1.00 0.00 H ATOM 1250 HE21 GLN A 135 18.987 8.950 1.991 1.00 0.00 H ATOM 1251 H GLN A 135 19.129 2.436 0.800 1.00 0.00 H ATOM 1252 N VAL A 136 15.655 4.062 0.290 1.00 10.00 N ATOM 1253 CA VAL A 136 14.741 3.901 -0.843 1.00 10.00 C ATOM 1254 C VAL A 136 14.309 5.281 -1.322 1.00 10.00 C ATOM 1255 O VAL A 136 13.968 6.134 -0.506 1.00 10.00 O ATOM 1256 CB VAL A 136 13.480 3.062 -0.491 1.00 10.00 C ATOM 1257 CG1 VAL A 136 12.605 2.859 -1.723 1.00 10.00 C ATOM 1258 CG2 VAL A 136 13.860 1.716 0.112 1.00 10.00 C ATOM 1259 H VAL A 136 15.337 4.618 1.110 1.00 0.00 H ATOM 1260 N ASN A 137 14.326 5.521 -2.629 1.00 10.00 N ATOM 1261 CA ASN A 137 13.931 6.821 -3.160 1.00 10.00 C ATOM 1262 C ASN A 137 13.184 6.630 -4.478 1.00 10.00 C ATOM 1263 O ASN A 137 13.049 5.499 -4.953 1.00 10.00 O ATOM 1264 CB ASN A 137 15.157 7.741 -3.344 1.00 10.00 C ATOM 1265 CG ASN A 137 15.901 7.526 -4.652 1.00 10.00 C ATOM 1266 OD1 ASN A 137 15.986 6.415 -5.164 1.00 10.00 O ATOM 1267 ND2 ASN A 137 16.446 8.601 -5.199 1.00 10.00 N ATOM 1268 HD22 ASN A 137 16.352 9.526 -4.733 1.00 0.00 H ATOM 1269 HD21 ASN A 137 16.969 8.521 -6.094 1.00 0.00 H ATOM 1270 H ASN A 137 14.626 4.770 -3.283 1.00 0.00 H ATOM 1271 N TYR A 138 12.693 7.729 -5.051 1.00 10.00 N ATOM 1272 CA TYR A 138 11.944 7.692 -6.313 1.00 10.00 C ATOM 1273 C TYR A 138 12.696 6.912 -7.394 1.00 10.00 C ATOM 1274 O TYR A 138 12.176 5.941 -7.946 1.00 10.00 O ATOM 1275 CB TYR A 138 11.668 9.119 -6.808 1.00 10.00 C ATOM 1276 CG TYR A 138 10.807 9.179 -8.055 1.00 10.00 C ATOM 1277 CD1 TYR A 138 9.471 8.799 -8.017 1.00 10.00 C ATOM 1278 CD2 TYR A 138 11.330 9.609 -9.269 1.00 10.00 C ATOM 1279 CE1 TYR A 138 8.682 8.842 -9.151 1.00 10.00 C ATOM 1280 CE2 TYR A 138 10.547 9.659 -10.407 1.00 10.00 C ATOM 1281 CZ TYR A 138 9.225 9.274 -10.343 1.00 10.00 C ATOM 1282 OH TYR A 138 8.444 9.317 -11.476 1.00 10.00 O ATOM 1283 HH TYR A 138 7.529 9.010 -11.256 1.00 0.00 H ATOM 1284 H TYR A 138 12.846 8.647 -4.587 1.00 0.00 H ATOM 1285 N GLU A 139 13.923 7.337 -7.663 1.00 10.00 N ATOM 1286 CA GLU A 139 14.777 6.724 -8.681 1.00 10.00 C ATOM 1287 C GLU A 139 14.904 5.203 -8.529 1.00 10.00 C ATOM 1288 O GLU A 139 15.000 4.482 -9.525 1.00 10.00 O ATOM 1289 CB GLU A 139 16.164 7.355 -8.613 1.00 10.00 C ATOM 1290 CG GLU A 139 17.134 6.828 -9.656 1.00 10.00 C ATOM 1291 CD GLU A 139 16.874 7.409 -11.025 1.00 10.00 C ATOM 1292 OE1 GLU A 139 16.390 6.676 -11.903 1.00 10.00 O ATOM 1293 OE2 GLU A 139 17.167 8.606 -11.231 1.00 10.00 O ATOM 1294 H GLU A 139 14.296 8.145 -7.125 1.00 0.00 H ATOM 1295 N GLU A 140 14.892 4.714 -7.300 1.00 10.00 N ATOM 1296 CA GLU A 140 15.038 3.289 -7.063 1.00 10.00 C ATOM 1297 C GLU A 140 13.700 2.571 -7.118 1.00 10.00 C ATOM 1298 O GLU A 140 13.576 1.541 -7.785 1.00 10.00 O ATOM 1299 CB GLU A 140 15.705 3.037 -5.714 1.00 10.00 C ATOM 1300 CG GLU A 140 17.183 3.377 -5.706 1.00 10.00 C ATOM 1301 CD GLU A 140 17.769 3.389 -4.313 1.00 10.00 C ATOM 1302 OE1 GLU A 140 18.829 2.772 -4.096 1.00 10.00 O ATOM 1303 OE2 GLU A 140 17.186 4.025 -3.415 1.00 10.00 O ATOM 1304 H GLU A 140 14.776 5.359 -6.492 1.00 0.00 H ATOM 1305 N PHE A 141 12.702 3.102 -6.417 1.00 10.00 N ATOM 1306 CA PHE A 141 11.372 2.502 -6.373 1.00 10.00 C ATOM 1307 C PHE A 141 10.797 2.236 -7.766 1.00 10.00 C ATOM 1308 O PHE A 141 10.183 1.200 -7.986 1.00 10.00 O ATOM 1309 CB PHE A 141 10.437 3.427 -5.586 1.00 10.00 C ATOM 1310 CG PHE A 141 9.273 2.736 -4.926 1.00 10.00 C ATOM 1311 CD1 PHE A 141 7.978 3.172 -5.157 1.00 10.00 C ATOM 1312 CD2 PHE A 141 9.471 1.663 -4.063 1.00 10.00 C ATOM 1313 CE1 PHE A 141 6.902 2.559 -4.547 1.00 10.00 C ATOM 1314 CE2 PHE A 141 8.394 1.047 -3.450 1.00 10.00 C ATOM 1315 CZ PHE A 141 7.109 1.495 -3.691 1.00 10.00 C ATOM 1316 H PHE A 141 12.876 3.976 -5.881 1.00 0.00 H ATOM 1317 N VAL A 142 11.002 3.164 -8.694 1.00 10.00 N ATOM 1318 CA VAL A 142 10.485 3.006 -10.059 1.00 10.00 C ATOM 1319 C VAL A 142 10.967 1.693 -10.690 1.00 10.00 C ATOM 1320 O VAL A 142 10.184 0.955 -11.285 1.00 10.00 O ATOM 1321 CB VAL A 142 10.890 4.184 -10.970 1.00 10.00 C ATOM 1322 CG1 VAL A 142 10.343 3.993 -12.381 1.00 10.00 C ATOM 1323 CG2 VAL A 142 10.407 5.499 -10.382 1.00 10.00 C ATOM 1324 H VAL A 142 11.540 4.020 -8.449 1.00 0.00 H ATOM 1325 N GLN A 143 12.252 1.394 -10.528 1.00 10.00 N ATOM 1326 CA GLN A 143 12.834 0.178 -11.082 1.00 10.00 C ATOM 1327 C GLN A 143 12.316 -1.055 -10.342 1.00 10.00 C ATOM 1328 O GLN A 143 11.926 -2.045 -10.962 1.00 10.00 O ATOM 1329 CB GLN A 143 14.360 0.244 -10.988 1.00 10.00 C ATOM 1330 CG GLN A 143 15.065 -1.036 -11.400 1.00 10.00 C ATOM 1331 CD GLN A 143 16.544 -1.011 -11.066 1.00 10.00 C ATOM 1332 OE1 GLN A 143 17.168 0.051 -11.031 1.00 10.00 O ATOM 1333 NE2 GLN A 143 17.119 -2.177 -10.811 1.00 10.00 N ATOM 1334 HE22 GLN A 143 16.559 -3.053 -10.850 1.00 0.00 H ATOM 1335 HE21 GLN A 143 18.130 -2.217 -10.571 1.00 0.00 H ATOM 1336 H GLN A 143 12.859 2.046 -9.991 1.00 0.00 H ATOM 1337 N MET A 144 12.293 -0.975 -9.019 1.00 10.00 N ATOM 1338 CA MET A 144 11.848 -2.092 -8.188 1.00 10.00 C ATOM 1339 C MET A 144 10.361 -2.371 -8.388 1.00 10.00 C ATOM 1340 O MET A 144 9.936 -3.522 -8.370 1.00 10.00 O ATOM 1341 CB MET A 144 12.122 -1.789 -6.712 1.00 10.00 C ATOM 1342 CG MET A 144 12.335 -3.028 -5.853 1.00 10.00 C ATOM 1343 SD MET A 144 10.794 -3.745 -5.253 1.00 10.00 S ATOM 1344 CE MET A 144 11.176 -3.947 -3.514 1.00 10.00 C ATOM 1345 H MET A 144 12.600 -0.094 -8.560 1.00 0.00 H ATOM 1346 N MET A 145 9.585 -1.318 -8.594 1.00 10.00 N ATOM 1347 CA MET A 145 8.135 -1.430 -8.784 1.00 10.00 C ATOM 1348 C MET A 145 7.744 -2.244 -10.020 1.00 10.00 C ATOM 1349 O MET A 145 6.561 -2.477 -10.252 1.00 10.00 O ATOM 1350 CB MET A 145 7.499 -0.045 -8.867 1.00 10.00 C ATOM 1351 CG MET A 145 7.027 0.488 -7.526 1.00 10.00 C ATOM 1352 SD MET A 145 5.411 -0.157 -7.050 1.00 10.00 S ATOM 1353 CE MET A 145 4.317 1.032 -7.822 1.00 10.00 C ATOM 1354 H MET A 145 10.021 -0.374 -8.622 1.00 0.00 H ATOM 1355 N THR A 146 8.707 -2.670 -10.825 1.00 10.00 N ATOM 1356 CA THR A 146 8.389 -3.457 -12.002 1.00 10.00 C ATOM 1357 C THR A 146 9.384 -4.609 -12.160 1.00 10.00 C ATOM 1358 O THR A 146 9.022 -5.699 -12.594 1.00 10.00 O ATOM 1359 CB THR A 146 8.399 -2.593 -13.277 1.00 10.00 C ATOM 1360 OG1 THR A 146 7.951 -1.264 -12.976 1.00 10.00 O ATOM 1361 CG2 THR A 146 7.505 -3.199 -14.348 1.00 10.00 C ATOM 1362 HG1 THR A 146 7.962 -0.718 -13.802 1.00 0.00 H ATOM 1363 H THR A 146 9.698 -2.438 -10.611 1.00 0.00 H ATOM 1364 N ALA A 147 10.637 -4.362 -11.794 1.00 10.00 N ATOM 1365 CA ALA A 147 11.677 -5.380 -11.890 1.00 10.00 C ATOM 1366 C ALA A 147 12.150 -5.819 -10.509 1.00 10.00 C ATOM 1367 O ALA A 147 11.362 -5.882 -9.562 1.00 10.00 O ATOM 1368 CB ALA A 147 12.849 -4.852 -12.700 1.00 10.00 C ATOM 1369 H ALA A 147 10.882 -3.419 -11.430 1.00 0.00 H TER 1370 ALA A 147 HETATM 1371 CA CA A 1 -17.484 -0.500 7.582 1.00 10.00 CA HETATM 1372 CA CA A 2 -18.583 -1.005 -5.005 1.00 10.00 CA HETATM 1373 CA CA A 3 11.009 10.599 3.730 1.00 10.00 CA HETATM 1374 CA CA A 4 19.079 3.854 -2.030 1.00 10.00 CA HETATM 1375 N MET A 5 -8.036 4.165 -1.365 1.00 0.24 N HETATM 1376 CA MET A 5 -6.620 4.490 -1.457 1.00 0.07 C HETATM 1377 C MET A 5 -5.789 3.483 -0.671 1.00 0.23 C HETATM 1378 O MET A 5 -4.676 3.133 -1.060 1.00 -0.39 O HETATM 1379 N MET A 5 -6.345 3.000 0.426 1.00 -0.26 N HETATM 1380 CA MET A 5 -5.641 2.050 1.280 1.00 0.14 C HETATM 1381 C MET A 5 -5.688 0.639 0.711 1.00 0.21 C HETATM 1382 O MET A 5 -4.782 -0.155 0.938 1.00 -0.39 O HETATM 1383 N MET A 5 -6.735 0.328 -0.032 1.00 -0.26 N HETATM 1384 CA MET A 5 -6.880 -0.999 -0.613 1.00 0.14 C HETATM 1385 C MET A 5 -5.830 -1.248 -1.702 1.00 0.20 C HETATM 1386 O MET A 5 -5.196 -2.309 -1.741 1.00 -0.39 O HETATM 1387 N MET A 5 -5.614 -0.264 -2.562 1.00 -0.26 N HETATM 1388 CA MET A 5 -4.642 -0.410 -3.642 1.00 0.13 C HETATM 1389 C MET A 5 -3.209 -0.258 -3.141 1.00 0.20 C HETATM 1390 O MET A 5 -2.314 -0.956 -3.616 1.00 -0.39 O HETATM 1391 N MET A 5 -2.982 0.628 -2.173 1.00 -0.26 N HETATM 1392 CA MET A 5 -1.635 0.807 -1.641 1.00 0.14 C HETATM 1393 C MET A 5 -1.220 -0.450 -0.882 1.00 0.20 C HETATM 1394 O MET A 5 -0.040 -0.796 -0.836 1.00 -0.39 O HETATM 1395 N MET A 5 -2.206 -1.130 -0.298 1.00 -0.26 N HETATM 1396 CA MET A 5 -1.967 -2.370 0.426 1.00 0.13 C HETATM 1397 C MET A 5 -1.447 -3.427 -0.538 1.00 0.20 C HETATM 1398 O MET A 5 -0.457 -4.109 -0.265 1.00 -0.39 O HETATM 1399 N MET A 5 -2.112 -3.534 -1.683 1.00 -0.26 N HETATM 1400 CA MET A 5 -1.714 -4.487 -2.706 1.00 0.13 C HETATM 1401 C MET A 5 -0.313 -4.159 -3.219 1.00 0.20 C HETATM 1402 O MET A 5 0.526 -5.048 -3.379 1.00 -0.39 O HETATM 1403 N MET A 5 -0.051 -2.878 -3.447 1.00 -0.26 N HETATM 1404 CA MET A 5 1.257 -2.441 -3.905 1.00 0.16 C HETATM 1405 C MET A 5 2.312 -2.749 -2.841 1.00 0.21 C HETATM 1406 O MET A 5 3.424 -3.165 -3.160 1.00 -0.39 O HETATM 1407 N MET A 5 1.945 -2.559 -1.574 1.00 -0.26 N HETATM 1408 CA MET A 5 2.837 -2.846 -0.460 1.00 0.16 C HETATM 1409 C MET A 5 3.213 -4.325 -0.480 1.00 0.21 C HETATM 1410 O MET A 5 4.359 -4.695 -0.232 1.00 -0.39 O HETATM 1411 N MET A 5 2.239 -5.157 -0.819 1.00 -0.26 N HETATM 1412 CA MET A 5 2.445 -6.591 -0.892 1.00 0.13 C HETATM 1413 C MET A 5 3.363 -6.936 -2.064 1.00 0.20 C HETATM 1414 O MET A 5 4.234 -7.796 -1.953 1.00 -0.39 O HETATM 1415 N MET A 5 3.173 -6.242 -3.181 1.00 -0.26 N HETATM 1416 CA MET A 5 3.978 -6.463 -4.378 1.00 0.13 C HETATM 1417 C MET A 5 5.410 -5.967 -4.167 1.00 0.20 C HETATM 1418 O MET A 5 6.351 -6.486 -4.767 1.00 -0.39 O HETATM 1419 N MET A 5 5.559 -4.955 -3.318 1.00 -0.26 N HETATM 1420 CA MET A 5 6.869 -4.388 -3.006 1.00 0.14 C HETATM 1421 C MET A 5 7.595 -5.262 -1.981 1.00 0.21 C HETATM 1422 O MET A 5 8.822 -5.314 -1.950 1.00 -0.39 O HETATM 1423 N MET A 5 6.827 -5.955 -1.153 1.00 -0.26 N HETATM 1424 CA MET A 5 7.395 -6.835 -0.139 1.00 0.13 C HETATM 1425 C MET A 5 7.738 -8.200 -0.726 1.00 0.20 C HETATM 1426 O MET A 5 8.876 -8.663 -0.625 1.00 -0.39 O HETATM 1427 N MET A 5 6.752 -8.827 -1.350 1.00 -0.26 N HETATM 1428 CA MET A 5 6.919 -10.147 -1.944 1.00 0.14 C HETATM 1429 C MET A 5 7.759 -10.087 -3.217 1.00 0.21 C HETATM 1430 O MET A 5 7.234 -9.897 -4.316 1.00 -0.39 O HETATM 1431 N MET A 5 9.064 -10.237 -3.057 1.00 -0.26 N HETATM 1432 CA MET A 5 9.984 -10.223 -4.183 1.00 0.13 C HETATM 1433 C MET A 5 10.748 -11.543 -4.252 1.00 0.20 C HETATM 1434 O MET A 5 10.572 -12.320 -5.192 1.00 -0.39 O HETATM 1435 N MET A 5 11.582 -11.798 -3.244 1.00 -0.26 N HETATM 1436 CA MET A 5 12.360 -13.037 -3.174 1.00 0.14 C HETATM 1437 C MET A 5 12.862 -13.260 -1.755 1.00 0.21 C HETATM 1438 O MET A 5 12.627 -14.312 -1.158 1.00 -0.39 O HETATM 1439 N MET A 5 13.537 -12.253 -1.215 1.00 -0.26 N HETATM 1440 CA MET A 5 14.087 -12.328 0.135 1.00 0.13 C HETATM 1441 C MET A 5 12.981 -12.348 1.192 1.00 0.20 C HETATM 1442 O MET A 5 12.613 -13.405 1.705 1.00 -0.39 O HETATM 1443 N MET A 5 12.455 -11.173 1.500 1.00 -0.26 N HETATM 1444 CA MET A 5 11.399 -11.031 2.500 1.00 0.14 C HETATM 1445 C MET A 5 10.048 -11.435 1.916 1.00 0.21 C HETATM 1446 O MET A 5 9.860 -11.408 0.700 1.00 -0.39 O HETATM 1447 N MET A 5 9.125 -11.845 2.777 1.00 -0.27 N HETATM 1448 CA MET A 5 7.792 -12.240 2.335 1.00 0.12 C HETATM 1449 CB MET A 5 7.145 -13.251 3.300 1.00 0.12 C HETATM 1450 CG2 MET A 5 7.202 -14.658 2.721 1.00 -0.03 C HETATM 1451 H153 MET A 5 6.736 -15.363 3.425 1.00 0.03 H HETATM 1452 H154 MET A 5 8.251 -14.944 2.556 1.00 0.03 H HETATM 1453 H155 MET A 5 6.660 -14.683 1.764 1.00 0.03 H HETATM 1454 OG1 MET A 5 7.812 -13.228 4.574 1.00 -0.27 O HETATM 1455 P MET A 5 7.180 -12.433 5.811 1.00 0.20 P HETATM 1456 O1P MET A 5 6.048 -11.551 5.482 1.00 -0.55 O HETATM 1457 O2P MET A 5 8.183 -11.800 6.672 1.00 -0.55 O HETATM 1458 O3P MET A 5 6.517 -13.545 6.743 1.00 -0.55 O HETATM 1459 H152 MET A 5 6.091 -12.971 3.446 1.00 0.07 H HETATM 1460 C MET A 5 6.878 -11.028 2.205 1.00 0.06 C HETATM 1461 O MET A 5 6.163 -10.882 1.214 1.00 -0.57 O HETATM 1462 OXT MET A 5 6.838 -10.172 3.089 1.00 -0.57 O HETATM 1463 H151 MET A 5 7.888 -12.714 1.347 1.00 0.08 H HETATM 1464 H150 MET A 5 9.348 -11.884 3.751 1.00 0.19 H HETATM 1465 CB MET A 5 11.356 -9.585 3.002 1.00 0.04 C HETATM 1466 CG MET A 5 10.456 -9.397 4.204 1.00 0.04 C HETATM 1467 OD1 MET A 5 9.427 -8.697 4.072 1.00 -0.57 O HETATM 1468 OD2 MET A 5 10.777 -9.939 5.280 1.00 -0.57 O HETATM 1469 H148 MET A 5 10.990 -8.943 2.187 1.00 0.05 H HETATM 1470 H149 MET A 5 12.376 -9.280 3.278 1.00 0.05 H HETATM 1471 H147 MET A 5 11.625 -11.693 3.349 1.00 0.08 H HETATM 1472 H146 MET A 5 12.791 -10.355 1.033 1.00 0.19 H HETATM 1473 CB MET A 5 15.025 -11.143 0.393 1.00 -0.00 C HETATM 1474 CG MET A 5 16.306 -11.181 -0.424 1.00 0.00 C HETATM 1475 CD MET A 5 17.520 -11.504 0.423 1.00 0.04 C HETATM 1476 OE1 MET A 5 17.567 -12.612 0.998 1.00 -0.57 O HETATM 1477 OE2 MET A 5 18.429 -10.649 0.517 1.00 -0.57 O HETATM 1478 H144 MET A 5 16.455 -10.198 -0.894 1.00 0.04 H HETATM 1479 H145 MET A 5 16.205 -11.950 -1.204 1.00 0.04 H HETATM 1480 H142 MET A 5 15.295 -11.141 1.459 1.00 0.03 H HETATM 1481 H143 MET A 5 14.486 -10.216 0.149 1.00 0.03 H HETATM 1482 H141 MET A 5 14.666 -13.260 0.220 1.00 0.08 H HETATM 1483 H140 MET A 5 13.673 -11.418 -1.749 1.00 0.19 H HETATM 1484 CB MET A 5 13.549 -13.005 -4.135 1.00 0.04 C HETATM 1485 CG MET A 5 14.026 -14.397 -4.516 1.00 0.04 C HETATM 1486 OD1 MET A 5 14.177 -14.669 -5.728 1.00 -0.57 O HETATM 1487 OD2 MET A 5 14.255 -15.229 -3.608 1.00 -0.57 O HETATM 1488 H138 MET A 5 14.379 -12.467 -3.652 1.00 0.05 H HETATM 1489 H139 MET A 5 13.249 -12.472 -5.049 1.00 0.05 H HETATM 1490 H137 MET A 5 11.705 -13.875 -3.455 1.00 0.08 H HETATM 1491 H136 MET A 5 11.680 -11.123 -2.513 1.00 0.19 H HETATM 1492 CB MET A 5 10.951 -9.040 -4.076 1.00 0.00 C HETATM 1493 CG MET A 5 10.411 -7.758 -4.692 1.00 0.04 C HETATM 1494 CD MET A 5 10.639 -7.691 -6.192 1.00 0.17 C HETATM 1495 OE1 MET A 5 10.701 -8.716 -6.873 1.00 -0.40 O HETATM 1496 NE2 MET A 5 10.776 -6.486 -6.717 1.00 -0.30 N HETATM 1497 H134 MET A 5 10.928 -6.383 -7.700 1.00 0.18 H HETATM 1498 H135 MET A 5 10.727 -5.677 -6.131 1.00 0.18 H HETATM 1499 H132 MET A 5 10.914 -6.901 -4.220 1.00 0.05 H HETATM 1500 H133 MET A 5 9.330 -7.701 -4.497 1.00 0.05 H HETATM 1501 H130 MET A 5 11.886 -9.307 -4.590 1.00 0.03 H HETATM 1502 H131 MET A 5 11.158 -8.855 -3.012 1.00 0.03 H HETATM 1503 H129 MET A 5 9.400 -10.110 -5.109 1.00 0.08 H HETATM 1504 H128 MET A 5 9.428 -10.364 -2.134 1.00 0.19 H HETATM 1505 CB MET A 5 5.544 -10.743 -2.251 1.00 0.02 C HETATM 1506 CG MET A 5 5.522 -12.252 -2.365 1.00 -0.05 C HETATM 1507 CD1 MET A 5 5.599 -13.055 -1.231 1.00 -0.07 C HETATM 1508 CE1 MET A 5 5.549 -14.433 -1.327 1.00 -0.04 C HETATM 1509 CZ MET A 5 5.422 -15.025 -2.566 1.00 0.08 C HETATM 1510 CE2 MET A 5 5.349 -14.252 -3.706 1.00 -0.04 C HETATM 1511 CD2 MET A 5 5.394 -12.876 -3.602 1.00 -0.07 C HETATM 1512 H124 MET A 5 5.329 -12.271 -4.499 1.00 0.05 H HETATM 1513 H126 MET A 5 5.257 -14.722 -4.678 1.00 0.05 H HETATM 1514 OH MET A 5 5.362 -16.397 -2.669 1.00 -0.34 O HETATM 1515 H127 MET A 5 5.425 -16.782 -1.803 1.00 0.25 H HETATM 1516 H125 MET A 5 5.609 -15.044 -0.434 1.00 0.05 H HETATM 1517 H123 MET A 5 5.700 -12.592 -0.256 1.00 0.05 H HETATM 1518 H121 MET A 5 5.193 -10.322 -3.205 1.00 0.05 H HETATM 1519 H122 MET A 5 4.855 -10.450 -1.445 1.00 0.05 H HETATM 1520 H120 MET A 5 7.433 -10.795 -1.219 1.00 0.08 H HETATM 1521 H119 MET A 5 5.861 -8.378 -1.416 1.00 0.19 H HETATM 1522 CB MET A 5 6.422 -7.013 1.029 1.00 -0.01 C HETATM 1523 CG MET A 5 6.563 -5.957 2.115 1.00 -0.02 C HETATM 1524 CD MET A 5 6.849 -6.592 3.469 1.00 0.06 C HETATM 1525 NE MET A 5 5.700 -7.333 3.973 1.00 -0.27 N HETATM 1526 CZ MET A 5 5.775 -8.516 4.575 1.00 0.29 C HETATM 1527 NH1 MET A 5 6.939 -9.125 4.753 1.00 -0.28 N HETATM 1528 H115 MET A 5 6.974 -10.041 5.222 1.00 0.26 H HETATM 1529 H116 MET A 5 7.808 -8.682 4.422 1.00 0.26 H HETATM 1530 NH2 MET A 5 4.671 -9.104 4.991 1.00 -0.28 N HETATM 1531 H117 MET A 5 3.760 -8.642 4.859 1.00 0.26 H HETATM 1532 H118 MET A 5 4.719 -10.026 5.448 1.00 0.26 H HETATM 1533 H114 MET A 5 4.767 -6.912 3.855 1.00 0.26 H HETATM 1534 H112 MET A 5 7.104 -5.799 4.187 1.00 0.07 H HETATM 1535 H113 MET A 5 7.700 -7.281 3.366 1.00 0.07 H HETATM 1536 H110 MET A 5 5.628 -5.382 2.179 1.00 0.03 H HETATM 1537 H111 MET A 5 7.391 -5.282 1.853 1.00 0.03 H HETATM 1538 H108 MET A 5 6.600 -8.000 1.481 1.00 0.03 H HETATM 1539 H109 MET A 5 5.396 -6.970 0.635 1.00 0.03 H HETATM 1540 H107 MET A 5 8.319 -6.375 0.240 1.00 0.08 H HETATM 1541 H106 MET A 5 5.833 -5.872 -1.226 1.00 0.19 H HETATM 1542 CB MET A 5 6.701 -2.946 -2.491 1.00 0.02 C HETATM 1543 CG MET A 5 7.947 -2.326 -1.878 1.00 -0.05 C HETATM 1544 CD1 MET A 5 8.117 -2.288 -0.500 1.00 -0.07 C HETATM 1545 CE1 MET A 5 9.236 -1.714 0.066 1.00 -0.04 C HETATM 1546 CZ MET A 5 10.211 -1.165 -0.734 1.00 0.08 C HETATM 1547 CE2 MET A 5 10.073 -1.187 -2.111 1.00 -0.04 C HETATM 1548 CD2 MET A 5 8.944 -1.764 -2.677 1.00 -0.07 C HETATM 1549 H102 MET A 5 8.835 -1.778 -3.755 1.00 0.05 H HETATM 1550 H104 MET A 5 10.841 -0.757 -2.743 1.00 0.05 H HETATM 1551 OH MET A 5 11.332 -0.595 -0.147 1.00 -0.34 O HETATM 1552 H105 MET A 5 11.264 -0.666 0.798 1.00 0.25 H HETATM 1553 H103 MET A 5 9.348 -1.695 1.144 1.00 0.05 H HETATM 1554 H101 MET A 5 7.356 -2.717 0.142 1.00 0.05 H HETATM 1555 H99 MET A 5 5.911 -2.948 -1.726 1.00 0.05 H HETATM 1556 H100 MET A 5 6.390 -2.317 -3.338 1.00 0.05 H HETATM 1557 H98 MET A 5 7.470 -4.362 -3.927 1.00 0.08 H HETATM 1558 H97 MET A 5 4.748 -4.569 -2.878 1.00 0.19 H HETATM 1559 CB MET A 5 3.335 -5.763 -5.584 1.00 -0.01 C HETATM 1560 CG MET A 5 3.895 -6.222 -6.924 1.00 -0.04 C HETATM 1561 CD MET A 5 4.697 -5.126 -7.606 1.00 -0.01 C HETATM 1562 CE MET A 5 5.668 -5.699 -8.626 1.00 -0.04 C HETATM 1563 NZ MET A 5 6.683 -6.574 -7.986 1.00 0.22 N HETATM 1564 H94 MET A 5 7.308 -6.935 -8.690 1.00 0.20 H HETATM 1565 H95 MET A 5 6.221 -7.340 -7.522 1.00 0.20 H HETATM 1566 H96 MET A 5 7.209 -6.041 -7.312 1.00 0.20 H HETATM 1567 H92 MET A 5 6.182 -4.870 -9.134 1.00 0.08 H HETATM 1568 H93 MET A 5 5.104 -6.288 -9.364 1.00 0.08 H HETATM 1569 H90 MET A 5 5.265 -4.572 -6.844 1.00 0.03 H HETATM 1570 H91 MET A 5 4.004 -4.441 -8.117 1.00 0.03 H HETATM 1571 H88 MET A 5 3.060 -6.512 -7.579 1.00 0.03 H HETATM 1572 H89 MET A 5 4.549 -7.091 -6.758 1.00 0.03 H HETATM 1573 H86 MET A 5 3.504 -4.680 -5.489 1.00 0.03 H HETATM 1574 H87 MET A 5 2.254 -5.968 -5.570 1.00 0.03 H HETATM 1575 H85 MET A 5 4.012 -7.544 -4.580 1.00 0.08 H HETATM 1576 H84 MET A 5 2.455 -5.546 -3.202 1.00 0.19 H HETATM 1577 CB MET A 5 1.102 -7.312 -1.046 1.00 -0.01 C HETATM 1578 CG MET A 5 0.972 -8.557 -0.180 1.00 -0.04 C HETATM 1579 CD MET A 5 0.821 -8.214 1.295 1.00 -0.01 C HETATM 1580 CE MET A 5 1.146 -9.414 2.174 1.00 -0.04 C HETATM 1581 NZ MET A 5 0.744 -9.206 3.588 1.00 0.22 N HETATM 1582 H81 MET A 5 0.979 -10.024 4.128 1.00 0.20 H HETATM 1583 H82 MET A 5 -0.250 -9.046 3.635 1.00 0.20 H HETATM 1584 H83 MET A 5 1.231 -8.406 3.962 1.00 0.20 H HETATM 1585 H79 MET A 5 2.231 -9.595 2.138 1.00 0.08 H HETATM 1586 H80 MET A 5 0.615 -10.293 1.782 1.00 0.08 H HETATM 1587 H77 MET A 5 -0.215 -7.899 1.486 1.00 0.03 H HETATM 1588 H78 MET A 5 1.506 -7.390 1.544 1.00 0.03 H HETATM 1589 H75 MET A 5 1.872 -9.175 -0.310 1.00 0.03 H HETATM 1590 H76 MET A 5 0.087 -9.124 -0.505 1.00 0.03 H HETATM 1591 H73 MET A 5 0.986 -7.608 -2.099 1.00 0.03 H HETATM 1592 H74 MET A 5 0.299 -6.612 -0.771 1.00 0.03 H HETATM 1593 H72 MET A 5 2.922 -6.927 0.041 1.00 0.08 H HETATM 1594 H71 MET A 5 1.335 -4.785 -1.031 1.00 0.19 H HETATM 1595 CB MET A 5 2.163 -2.494 0.888 1.00 0.09 C HETATM 1596 OG1 MET A 5 1.930 -1.080 0.966 1.00 -0.39 O HETATM 1597 H67 MET A 5 1.361 -0.814 0.253 1.00 0.21 H HETATM 1598 CG2 MET A 5 3.016 -2.934 2.068 1.00 -0.03 C HETATM 1599 H68 MET A 5 2.508 -2.669 3.007 1.00 0.03 H HETATM 1600 H69 MET A 5 3.992 -2.428 2.024 1.00 0.03 H HETATM 1601 H70 MET A 5 3.165 -4.023 2.027 1.00 0.03 H HETATM 1602 H66 MET A 5 1.196 -3.017 0.941 1.00 0.06 H HETATM 1603 H65 MET A 5 3.749 -2.241 -0.569 1.00 0.08 H HETATM 1604 H64 MET A 5 1.028 -2.208 -1.383 1.00 0.19 H HETATM 1605 CB MET A 5 1.264 -0.936 -4.231 1.00 0.09 C HETATM 1606 OG1 MET A 5 0.223 -0.634 -5.172 1.00 -0.39 O HETATM 1607 H60 MET A 5 -0.618 -0.870 -4.799 1.00 0.21 H HETATM 1608 CG2 MET A 5 2.610 -0.514 -4.807 1.00 -0.03 C HETATM 1609 H61 MET A 5 2.591 0.563 -5.032 1.00 0.03 H HETATM 1610 H62 MET A 5 2.807 -1.078 -5.731 1.00 0.03 H HETATM 1611 H63 MET A 5 3.404 -0.722 -4.074 1.00 0.03 H HETATM 1612 H59 MET A 5 1.083 -0.373 -3.304 1.00 0.06 H HETATM 1613 H58 MET A 5 1.508 -2.996 -4.821 1.00 0.08 H HETATM 1614 H57 MET A 5 -0.770 -2.198 -3.300 1.00 0.19 H HETATM 1615 CB MET A 5 -2.741 -4.512 -3.864 1.00 -0.01 C HETATM 1616 CG1 MET A 5 -2.174 -5.193 -5.104 1.00 -0.06 C HETATM 1617 H51 MET A 5 -2.931 -5.191 -5.902 1.00 0.02 H HETATM 1618 H52 MET A 5 -1.901 -6.230 -4.860 1.00 0.02 H HETATM 1619 H53 MET A 5 -1.281 -4.649 -5.445 1.00 0.02 H HETATM 1620 CG2 MET A 5 -4.000 -5.229 -3.408 1.00 -0.06 C HETATM 1621 H54 MET A 5 -4.402 -4.731 -2.513 1.00 0.02 H HETATM 1622 H55 MET A 5 -3.760 -6.275 -3.168 1.00 0.02 H HETATM 1623 H56 MET A 5 -4.750 -5.200 -4.212 1.00 0.02 H HETATM 1624 H50 MET A 5 -2.998 -3.475 -4.125 1.00 0.03 H HETATM 1625 H49 MET A 5 -1.687 -5.489 -2.252 1.00 0.08 H HETATM 1626 H48 MET A 5 -2.904 -2.946 -1.845 1.00 0.19 H HETATM 1627 CB MET A 5 -3.259 -2.863 1.140 1.00 -0.00 C HETATM 1628 CG1 MET A 5 -3.264 -2.407 2.604 1.00 -0.05 C HETATM 1629 CD1 MET A 5 -2.108 -2.942 3.434 1.00 -0.06 C HETATM 1630 H45 MET A 5 -2.192 -2.566 4.464 1.00 0.02 H HETATM 1631 H46 MET A 5 -1.156 -2.605 2.997 1.00 0.02 H HETATM 1632 H47 MET A 5 -2.140 -4.042 3.441 1.00 0.02 H HETATM 1633 H40 MET A 5 -4.204 -2.744 3.066 1.00 0.03 H HETATM 1634 H41 MET A 5 -3.220 -1.308 2.622 1.00 0.03 H HETATM 1635 CG2 MET A 5 -3.416 -4.382 1.063 1.00 -0.06 C HETATM 1636 H42 MET A 5 -3.411 -4.698 0.009 1.00 0.02 H HETATM 1637 H43 MET A 5 -4.367 -4.676 1.530 1.00 0.02 H HETATM 1638 H44 MET A 5 -2.582 -4.864 1.594 1.00 0.02 H HETATM 1639 H39 MET A 5 -4.122 -2.407 0.632 1.00 0.03 H HETATM 1640 H38 MET A 5 -1.199 -2.185 1.192 1.00 0.08 H HETATM 1641 H37 MET A 5 -3.140 -0.777 -0.359 1.00 0.19 H HETATM 1642 CB MET A 5 -1.552 2.042 -0.740 1.00 0.03 C HETATM 1643 SG MET A 5 -2.322 1.833 0.881 1.00 -0.17 S HETATM 1644 H36 MET A 5 -3.300 1.619 0.762 1.00 0.10 H HETATM 1645 H34 MET A 5 -2.051 2.877 -1.253 1.00 0.04 H HETATM 1646 H35 MET A 5 -0.490 2.287 -0.588 1.00 0.04 H HETATM 1647 H33 MET A 5 -0.944 0.951 -2.484 1.00 0.08 H HETATM 1648 H32 MET A 5 -3.738 1.173 -1.809 1.00 0.19 H HETATM 1649 CB MET A 5 -4.938 0.578 -4.782 1.00 -0.01 C HETATM 1650 CG MET A 5 -5.525 1.932 -4.367 1.00 -0.04 C HETATM 1651 CD1 MET A 5 -4.420 2.928 -4.069 1.00 -0.06 C HETATM 1652 H26 MET A 5 -4.864 3.890 -3.774 1.00 0.02 H HETATM 1653 H27 MET A 5 -3.802 3.070 -4.968 1.00 0.02 H HETATM 1654 H28 MET A 5 -3.794 2.546 -3.249 1.00 0.02 H HETATM 1655 CD2 MET A 5 -6.443 2.468 -5.456 1.00 -0.06 C HETATM 1656 H29 MET A 5 -7.237 1.735 -5.660 1.00 0.02 H HETATM 1657 H30 MET A 5 -5.861 2.642 -6.373 1.00 0.02 H HETATM 1658 H31 MET A 5 -6.894 3.414 -5.122 1.00 0.02 H HETATM 1659 H25 MET A 5 -6.118 1.787 -3.452 1.00 0.03 H HETATM 1660 H23 MET A 5 -5.653 0.097 -5.466 1.00 0.03 H HETATM 1661 H24 MET A 5 -3.994 0.770 -5.314 1.00 0.03 H HETATM 1662 H22 MET A 5 -4.745 -1.428 -4.046 1.00 0.08 H HETATM 1663 H21 MET A 5 -6.124 0.591 -2.470 1.00 0.19 H HETATM 1664 CB MET A 5 -8.310 -1.180 -1.170 1.00 0.03 C HETATM 1665 SG MET A 5 -9.150 0.368 -1.630 1.00 -0.17 S HETATM 1666 H20 MET A 5 -10.071 0.158 -1.981 1.00 0.10 H HETATM 1667 H18 MET A 5 -8.916 -1.683 -0.402 1.00 0.04 H HETATM 1668 H19 MET A 5 -8.251 -1.817 -2.065 1.00 0.04 H HETATM 1669 H17 MET A 5 -6.725 -1.741 0.184 1.00 0.08 H HETATM 1670 H16 MET A 5 -7.441 1.017 -0.198 1.00 0.19 H HETATM 1671 CB MET A 5 -6.223 2.053 2.689 1.00 0.04 C HETATM 1672 CG MET A 5 -6.362 3.451 3.261 1.00 0.04 C HETATM 1673 OD1 MET A 5 -7.499 3.837 3.601 1.00 -0.57 O HETATM 1674 OD2 MET A 5 -5.339 4.164 3.366 1.00 -0.57 O HETATM 1675 H14 MET A 5 -5.561 1.469 3.345 1.00 0.05 H HETATM 1676 H15 MET A 5 -7.218 1.584 2.660 1.00 0.05 H HETATM 1677 H13 MET A 5 -4.588 2.362 1.339 1.00 0.08 H HETATM 1678 H12 MET A 5 -7.268 3.292 0.676 1.00 0.19 H HETATM 1679 CB MET A 5 -6.366 5.909 -0.933 1.00 0.02 C HETATM 1680 CG MET A 5 -6.955 6.170 0.447 1.00 0.00 C HETATM 1681 SD MET A 5 -7.252 7.921 0.762 1.00 -0.16 S HETATM 1682 CE MET A 5 -8.278 7.833 2.229 1.00 -0.02 C HETATM 1683 H9 MET A 5 -8.547 8.850 2.550 1.00 0.03 H HETATM 1684 H10 MET A 5 -7.724 7.329 3.034 1.00 0.03 H HETATM 1685 H11 MET A 5 -9.193 7.266 2.003 1.00 0.03 H HETATM 1686 H7 MET A 5 -6.254 5.791 1.205 1.00 0.04 H HETATM 1687 H8 MET A 5 -7.911 5.631 0.529 1.00 0.04 H HETATM 1688 H5 MET A 5 -6.810 6.625 -1.641 1.00 0.04 H HETATM 1689 H6 MET A 5 -5.279 6.070 -0.882 1.00 0.04 H HETATM 1690 H4 MET A 5 -6.318 4.446 -2.514 1.00 0.11 H HETATM 1691 H1 MET A 5 -8.570 4.840 -1.890 1.00 0.20 H HETATM 1692 H2 MET A 5 -8.324 4.186 -0.399 1.00 0.20 H HETATM 1693 H3 MET A 5 -8.195 3.244 -1.743 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 166 165 1371 CONECT 188 187 1371 CONECT 189 187 1371 CONECT 202 201 1371 CONECT 496 495 1372 CONECT 511 510 1372 CONECT 512 510 1372 CONECT 525 524 1372 CONECT 859 858 1373 CONECT 881 880 1373 CONECT 882 880 1373 CONECT 895 894 1373 CONECT 1200 1199 1374 CONECT 1218 1217 1374 CONECT 1233 1231 1374 CONECT 1243 1242 1374 CONECT 1371 166 188 189 202 CONECT 1372 496 511 512 525 CONECT 1373 859 881 882 895 CONECT 1374 1200 1218 1233 1243 CONECT 1375 1376 1691 1692 1693 CONECT 1376 1375 1377 1679 1690 CONECT 1377 1376 1378 1379 CONECT 1378 1377 CONECT 1379 1377 1380 1678 CONECT 1380 1379 1381 1671 1677 CONECT 1381 1380 1382 1383 CONECT 1382 1381 CONECT 1383 1381 1384 1670 CONECT 1384 1383 1385 1664 1669 CONECT 1385 1384 1386 1387 CONECT 1386 1385 CONECT 1387 1385 1388 1663 CONECT 1388 1387 1389 1649 1662 CONECT 1389 1388 1390 1391 CONECT 1390 1389 CONECT 1391 1389 1392 1648 CONECT 1392 1391 1393 1642 1647 CONECT 1393 1392 1394 1395 CONECT 1394 1393 CONECT 1395 1393 1396 1641 CONECT 1396 1395 1397 1627 1640 CONECT 1397 1396 1398 1399 CONECT 1398 1397 CONECT 1399 1397 1400 1626 CONECT 1400 1399 1401 1615 1625 CONECT 1401 1400 1402 1403 CONECT 1402 1401 CONECT 1403 1401 1404 1614 CONECT 1404 1403 1405 1605 1613 CONECT 1405 1404 1406 1407 CONECT 1406 1405 CONECT 1407 1405 1408 1604 CONECT 1408 1407 1409 1595 1603 CONECT 1409 1408 1410 1411 CONECT 1410 1409 CONECT 1411 1409 1412 1594 CONECT 1412 1411 1413 1577 1593 CONECT 1413 1412 1414 1415 CONECT 1414 1413 CONECT 1415 1413 1416 1576 CONECT 1416 1415 1417 1559 1575 CONECT 1417 1416 1418 1419 CONECT 1418 1417 CONECT 1419 1417 1420 1558 CONECT 1420 1419 1421 1542 1557 CONECT 1421 1420 1422 1423 CONECT 1422 1421 CONECT 1423 1421 1424 1541 CONECT 1424 1423 1425 1522 1540 CONECT 1425 1424 1426 1427 CONECT 1426 1425 CONECT 1427 1425 1428 1521 CONECT 1428 1427 1429 1505 1520 CONECT 1429 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 1432 1504 CONECT 1432 1431 1433 1492 1503 CONECT 1433 1432 1434 1435 CONECT 1434 1433 CONECT 1435 1433 1436 1491 CONECT 1436 1435 1437 1484 1490 CONECT 1437 1436 1438 1439 CONECT 1438 1437 CONECT 1439 1437 1440 1483 CONECT 1440 1439 1441 1473 1482 CONECT 1441 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 1444 1472 CONECT 1444 1443 1445 1465 1471 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 1448 1464 CONECT 1448 1447 1449 1460 1463 CONECT 1449 1448 1450 1454 1459 CONECT 1450 1449 1451 1452 1453 CONECT 1451 1450 CONECT 1452 1450 CONECT 1453 1450 CONECT 1454 1449 1455 CONECT 1455 1454 1456 1457 1458 CONECT 1456 1455 CONECT 1457 1455 CONECT 1458 1455 CONECT 1459 1449 CONECT 1460 1448 1461 1462 CONECT 1461 1460 CONECT 1462 1460 CONECT 1463 1448 CONECT 1464 1447 CONECT 1465 1444 1466 1469 1470 CONECT 1466 1465 1467 1468 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1465 CONECT 1470 1465 CONECT 1471 1444 CONECT 1472 1443 CONECT 1473 1440 1474 1480 1481 CONECT 1474 1473 1475 1478 1479 CONECT 1475 1474 1476 1477 CONECT 1476 1475 CONECT 1477 1475 CONECT 1478 1474 CONECT 1479 1474 CONECT 1480 1473 CONECT 1481 1473 CONECT 1482 1440 CONECT 1483 1439 CONECT 1484 1436 1485 1488 1489 CONECT 1485 1484 1486 1487 CONECT 1486 1485 CONECT 1487 1485 CONECT 1488 1484 CONECT 1489 1484 CONECT 1490 1436 CONECT 1491 1435 CONECT 1492 1432 1493 1501 1502 CONECT 1493 1492 1494 1499 1500 CONECT 1494 1493 1495 1496 CONECT 1495 1494 CONECT 1496 1494 1497 1498 CONECT 1497 1496 CONECT 1498 1496 CONECT 1499 1493 CONECT 1500 1493 CONECT 1501 1492 CONECT 1502 1492 CONECT 1503 1432 CONECT 1504 1431 CONECT 1505 1428 1506 1518 1519 CONECT 1506 1505 1507 1511 CONECT 1507 1506 1508 1517 CONECT 1508 1507 1509 1516 CONECT 1509 1508 1510 1514 CONECT 1510 1509 1511 1513 CONECT 1511 1506 1510 1512 CONECT 1512 1511 CONECT 1513 1510 CONECT 1514 1509 1515 CONECT 1515 1514 CONECT 1516 1508 CONECT 1517 1507 CONECT 1518 1505 CONECT 1519 1505 CONECT 1520 1428 CONECT 1521 1427 CONECT 1522 1424 1523 1538 1539 CONECT 1523 1522 1524 1536 1537 CONECT 1524 1523 1525 1534 1535 CONECT 1525 1524 1526 1533 CONECT 1526 1525 1527 1530 CONECT 1527 1526 1528 1529 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1526 1531 1532 CONECT 1531 1530 CONECT 1532 1530 CONECT 1533 1525 CONECT 1534 1524 CONECT 1535 1524 CONECT 1536 1523 CONECT 1537 1523 CONECT 1538 1522 CONECT 1539 1522 CONECT 1540 1424 CONECT 1541 1423 CONECT 1542 1420 1543 1555 1556 CONECT 1543 1542 1544 1548 CONECT 1544 1543 1545 1554 CONECT 1545 1544 1546 1553 CONECT 1546 1545 1547 1551 CONECT 1547 1546 1548 1550 CONECT 1548 1543 1547 1549 CONECT 1549 1548 CONECT 1550 1547 CONECT 1551 1546 1552 CONECT 1552 1551 CONECT 1553 1545 CONECT 1554 1544 CONECT 1555 1542 CONECT 1556 1542 CONECT 1557 1420 CONECT 1558 1419 CONECT 1559 1416 1560 1573 1574 CONECT 1560 1559 1561 1571 1572 CONECT 1561 1560 1562 1569 1570 CONECT 1562 1561 1563 1567 1568 CONECT 1563 1562 1564 1565 1566 CONECT 1564 1563 CONECT 1565 1563 CONECT 1566 1563 CONECT 1567 1562 CONECT 1568 1562 CONECT 1569 1561 CONECT 1570 1561 CONECT 1571 1560 CONECT 1572 1560 CONECT 1573 1559 CONECT 1574 1559 CONECT 1575 1416 CONECT 1576 1415 CONECT 1577 1412 1578 1591 1592 CONECT 1578 1577 1579 1589 1590 CONECT 1579 1578 1580 1587 1588 CONECT 1580 1579 1581 1585 1586 CONECT 1581 1580 1582 1583 1584 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1581 CONECT 1585 1580 CONECT 1586 1580 CONECT 1587 1579 CONECT 1588 1579 CONECT 1589 1578 CONECT 1590 1578 CONECT 1591 1577 CONECT 1592 1577 CONECT 1593 1412 CONECT 1594 1411 CONECT 1595 1408 1596 1598 1602 CONECT 1596 1595 1597 CONECT 1597 1596 CONECT 1598 1595 1599 1600 1601 CONECT 1599 1598 CONECT 1600 1598 CONECT 1601 1598 CONECT 1602 1595 CONECT 1603 1408 CONECT 1604 1407 CONECT 1605 1404 1606 1608 1612 CONECT 1606 1605 1607 CONECT 1607 1606 CONECT 1608 1605 1609 1610 1611 CONECT 1609 1608 CONECT 1610 1608 CONECT 1611 1608 CONECT 1612 1605 CONECT 1613 1404 CONECT 1614 1403 CONECT 1615 1400 1616 1620 1624 CONECT 1616 1615 1617 1618 1619 CONECT 1617 1616 CONECT 1618 1616 CONECT 1619 1616 CONECT 1620 1615 1621 1622 1623 CONECT 1621 1620 CONECT 1622 1620 CONECT 1623 1620 CONECT 1624 1615 CONECT 1625 1400 CONECT 1626 1399 CONECT 1627 1396 1628 1635 1639 CONECT 1628 1627 1629 1633 1634 CONECT 1629 1628 1630 1631 1632 CONECT 1630 1629 CONECT 1631 1629 CONECT 1632 1629 CONECT 1633 1628 CONECT 1634 1628 CONECT 1635 1627 1636 1637 1638 CONECT 1636 1635 CONECT 1637 1635 CONECT 1638 1635 CONECT 1639 1627 CONECT 1640 1396 CONECT 1641 1395 CONECT 1642 1392 1643 1645 1646 CONECT 1643 1642 1644 CONECT 1644 1643 CONECT 1645 1642 CONECT 1646 1642 CONECT 1647 1392 CONECT 1648 1391 CONECT 1649 1388 1650 1660 1661 CONECT 1650 1649 1651 1655 1659 CONECT 1651 1650 1652 1653 1654 CONECT 1652 1651 CONECT 1653 1651 CONECT 1654 1651 CONECT 1655 1650 1656 1657 1658 CONECT 1656 1655 CONECT 1657 1655 CONECT 1658 1655 CONECT 1659 1650 CONECT 1660 1649 CONECT 1661 1649 CONECT 1662 1388 CONECT 1663 1387 CONECT 1664 1384 1665 1667 1668 CONECT 1665 1664 1666 CONECT 1666 1665 CONECT 1667 1664 CONECT 1668 1664 CONECT 1669 1384 CONECT 1670 1383 CONECT 1671 1380 1672 1675 1676 CONECT 1672 1671 1673 1674 CONECT 1673 1672 CONECT 1674 1672 CONECT 1675 1671 CONECT 1676 1671 CONECT 1677 1380 CONECT 1678 1379 CONECT 1679 1376 1680 1688 1689 CONECT 1680 1679 1681 1686 1687 CONECT 1681 1680 1682 CONECT 1682 1681 1683 1684 1685 CONECT 1683 1682 CONECT 1684 1682 CONECT 1685 1682 CONECT 1686 1680 CONECT 1687 1680 CONECT 1688 1679 CONECT 1689 1679 CONECT 1690 1376 CONECT 1691 1375 CONECT 1692 1375 CONECT 1693 1375 MASTER 0 0 0 0 0 0 0 0 1692 1 343 12 END
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5jer
RCSB PDB
PDBbind
19-mer
5k6s
RCSB PDB
PDBbind
19-mer
5mav
RCSB PDB
PDBbind
19-mer
5nxq
RCSB PDB
PDBbind
19-mer
5uw5
RCSB PDB
PDBbind
19-mer
5uwp
RCSB PDB
PDBbind
19-mer
5v2p
RCSB PDB
PDBbind
19-mer
5v2q
RCSB PDB
PDBbind
19-mer
5ybe
RCSB PDB
PDBbind
19-mer
6bvb
RCSB PDB
PDBbind
19-mer
6fkq
RCSB PDB
PDBbind
19-mer
6mil
RCSB PDB
PDBbind
19-mer
6r8i
RCSB PDB
PDBbind
19-mer
6oie
RCSB PDB
PDBbind
19-mer
6h8c
RCSB PDB
PDBbind
19-mer
5v5o
RCSB PDB
PDBbind
19-mer
Entry Information
PDB ID
5j7j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Calmodulin
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=8.6uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Embo J. Vol. 37: pp. 122-138
Ligand Properties
Formula
C
9
8
H
1
6
3
N
2
5
O
3
7
PS
3
Molecular Weight
2410.660
Exact Mass
2409.050
No. of atoms
327
No. of bonds
328
Polar Surface Area
1169.65
LOGP Value
-5.86 (
Computed with XLOGP3
)
-4.86 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 26
No. of Hydrogen Bond Acceptors: 36
No. of Rotatable Bonds: 98
No. of Nitrogen and Oxygen Atoms: 62
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](OP(O)(O)O)C)C(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)N)Cc1ccc(cc1)O)CCC[NH+]=C(N)N)Cc1ccc(cc1)O)CCCC[NH3+])NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)[NH3+])CC(=O)O)CS)CC(C)C)CS
InChI String
InChI=1S/C98H160N25O37PS3/c1-11-47(6)75(120-92(150)68(44-163)118-85(143)61(37-45(2)3)112-91(149)67(43-162)117-89(147)64(40-71(131)132)111-79(137)55(101)32-36-164-10)94(152)119-74(46(4)5)93(151)121-77(49(8)125)96(154)122-76(48(7)124)95(153)110-57(18-13-15-34-100)80(138)106-56(17-12-14-33-99)81(139)113-62(38-51-20-24-53(126)25-21-51)86(144)107-58(19-16-35-105-98(103)104)82(140)114-63(39-52-22-26-54(127)27-23-52)87(145)108-59(28-30-69(102)128)83(141)115-65(41-72(133)134)88(146)109-60(29-31-70(129)130)84(142)116-66(42-73(135)136)90(148)123-78(97(155)156)50(9)160-161(157,158)159/h20-27,45-50,55-68,74-78,124-127,157-159,161-163H,11-19,28-44,99-101H2,1-10H3,(H2,102,128)(H,106,138)(H,107,144)(H,108,145)(H,109,146)(H,110,153)(H,111,137)(H,112,149)(H,113,139)(H,114,140)(H,115,141)(H,116,142)(H,117,147)(H,118,143)(H,119,152)(H,120,150)(H,121,151)(H,122,154)(H,123,148)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,155,156)(H4,103,104,105)/p+4/t47-,48+,49+,50+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,74-,75-,76-,77-,78-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P78352
P0DP33
Entrez Gene ID
NCBI Entrez Gene ID:
1742
108698710
380558
399259
606721
ASD
Information of known allosteric effects of PDB entries
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