Browse entries in the PDBbind-CN Database
HEADER 6T1I_COMPLEX COMPND 6T1I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 143 ASP ASN GLN CYS THR VAL GLN VAL ARG LEU GLU LEU GLY SEQRES 2 A 143 HIS ARG ALA GLN LEU ARG LYS LYS PRO THR THR GLU GLY SEQRES 3 A 143 PHE THR HIS ASP TRP MET VAL PHE VAL ARG GLY PRO GLU SEQRES 4 A 143 GLN CYS ASP ILE GLN HIS PHE VAL GLU LYS VAL VAL PHE SEQRES 5 A 143 TRP LEU HIS ASP SER PHE PRO LYS PRO ARG ARG VAL CYS SEQRES 6 A 143 LYS GLU PRO PRO TYR LYS VAL GLU GLU SER GLY TYR ALA SEQRES 7 A 143 GLY PHE ILE MET PRO ILE GLU VAL HIS PHE LYS ASN LYS SEQRES 8 A 143 GLU GLU PRO ARG LYS VAL CYS PHE THR TYR ASP LEU PHE SEQRES 9 A 143 LEU ASN LEU GLU GLY ASN PRO PRO VAL ASN HIS LEU ARG SEQRES 10 A 143 CYS GLU LYS LEU THR PHE ASN ASN PRO THR THR GLU PHE SEQRES 11 A 143 ARG TYR LYS LEU LEU ARG ALA GLY GLY VAL MET VAL MET HET M A 7W 51 ATOM 1 N ASP A 2 11.793 -36.306 12.091 1.00 85.14 N ATOM 2 CA ASP A 2 11.039 -36.407 13.364 1.00 82.73 C ATOM 3 C ASP A 2 10.030 -35.250 13.436 1.00 78.12 C ATOM 4 O ASP A 2 8.879 -35.463 13.064 1.00 75.37 O ATOM 5 CB ASP A 2 11.991 -36.427 14.565 1.00 82.21 C ATOM 6 HN3 ASP A 2 12.296 -35.396 12.059 1.00 0.00 H ATOM 7 HN2 ASP A 2 11.131 -36.365 11.291 1.00 0.00 H ATOM 8 HN1 ASP A 2 12.479 -37.086 12.033 1.00 0.00 H ATOM 9 N ASN A 3 10.473 -34.062 13.850 1.00 75.90 N ATOM 10 CA ASN A 3 9.587 -32.988 14.370 1.00 77.19 C ATOM 11 C ASN A 3 9.976 -31.618 13.770 1.00 73.88 C ATOM 12 O ASN A 3 9.576 -30.594 14.352 1.00 76.73 O ATOM 13 CB ASN A 3 9.596 -32.976 15.903 1.00 79.05 C ATOM 14 CG ASN A 3 8.489 -33.817 16.508 1.00 84.33 C ATOM 15 OD1 ASN A 3 8.586 -35.046 16.565 1.00 86.43 O ATOM 16 ND2 ASN A 3 7.436 -33.161 16.971 1.00 85.10 N ATOM 17 HD22 ASN A 3 7.398 -32.124 16.902 1.00 0.00 H ATOM 18 HD21 ASN A 3 6.647 -33.683 17.404 1.00 0.00 H ATOM 19 H ASN A 3 11.495 -33.877 13.807 1.00 0.00 H ATOM 20 N GLN A 4 10.634 -31.597 12.605 1.00 70.55 N ATOM 21 CA GLN A 4 10.892 -30.357 11.818 1.00 66.46 C ATOM 22 C GLN A 4 9.600 -29.899 11.141 1.00 63.95 C ATOM 23 O GLN A 4 9.008 -30.669 10.388 1.00 56.26 O ATOM 24 CB GLN A 4 11.964 -30.589 10.756 1.00 70.25 C ATOM 25 CG GLN A 4 13.303 -31.019 11.331 1.00 74.38 C ATOM 26 CD GLN A 4 13.892 -29.949 12.215 1.00 75.29 C ATOM 27 OE1 GLN A 4 13.710 -29.953 13.433 1.00 72.91 O ATOM 28 NE2 GLN A 4 14.585 -29.002 11.599 1.00 77.30 N ATOM 29 HE22 GLN A 4 14.713 -29.039 10.568 1.00 0.00 H ATOM 30 HE21 GLN A 4 15.000 -28.222 12.147 1.00 0.00 H ATOM 31 H GLN A 4 10.986 -32.499 12.226 1.00 0.00 H ATOM 32 N CYS A 5 9.212 -28.649 11.323 1.00 62.26 N ATOM 33 CA CYS A 5 8.121 -28.066 10.523 1.00 66.58 C ATOM 34 C CYS A 5 8.173 -26.555 10.545 1.00 63.49 C ATOM 35 O CYS A 5 8.773 -25.973 11.461 1.00 61.53 O ATOM 36 CB CYS A 5 6.755 -28.510 11.011 1.00 70.71 C ATOM 37 SG CYS A 5 6.189 -27.609 12.472 1.00 80.61 S ATOM 38 H CYS A 5 9.685 -28.067 12.043 1.00 0.00 H ATOM 39 N THR A 6 7.530 -25.983 9.552 1.00 56.23 N ATOM 40 CA THR A 6 7.371 -24.555 9.337 1.00 53.09 C ATOM 41 C THR A 6 5.877 -24.296 9.268 1.00 48.91 C ATOM 42 O THR A 6 5.196 -25.129 8.655 1.00 46.90 O ATOM 43 CB THR A 6 8.141 -24.199 8.076 1.00 56.41 C ATOM 44 OG1 THR A 6 9.512 -24.286 8.473 1.00 62.82 O ATOM 45 CG2 THR A 6 7.790 -22.856 7.514 1.00 56.06 C ATOM 46 HG1 THR A 6 9.683 -23.646 9.209 1.00 0.00 H ATOM 47 H THR A 6 7.092 -26.614 8.851 1.00 0.00 H ATOM 48 N VAL A 7 5.389 -23.284 9.982 1.00 43.71 N ATOM 49 CA VAL A 7 3.951 -22.896 9.994 1.00 42.90 C ATOM 50 C VAL A 7 3.867 -21.454 9.522 1.00 42.56 C ATOM 51 O VAL A 7 4.549 -20.605 10.107 1.00 41.19 O ATOM 52 CB VAL A 7 3.311 -23.079 11.380 1.00 44.12 C ATOM 53 CG1 VAL A 7 1.892 -22.542 11.417 1.00 44.08 C ATOM 54 CG2 VAL A 7 3.326 -24.523 11.826 1.00 47.43 C ATOM 55 H VAL A 7 6.050 -22.732 10.565 1.00 0.00 H ATOM 56 N GLN A 8 3.141 -21.219 8.448 1.00 43.25 N ATOM 57 CA GLN A 8 2.966 -19.876 7.867 1.00 42.76 C ATOM 58 C GLN A 8 1.611 -19.332 8.285 1.00 38.75 C ATOM 59 O GLN A 8 0.615 -20.070 8.210 1.00 36.57 O ATOM 60 CB GLN A 8 3.078 -19.940 6.359 1.00 47.79 C ATOM 61 CG GLN A 8 4.451 -20.359 5.897 1.00 53.88 C ATOM 62 CD GLN A 8 4.648 -20.102 4.427 1.00 58.38 C ATOM 63 OE1 GLN A 8 3.905 -20.599 3.582 1.00 62.36 O ATOM 64 NE2 GLN A 8 5.656 -19.311 4.116 1.00 61.18 N ATOM 65 HE22 GLN A 8 6.257 -18.915 4.867 1.00 0.00 H ATOM 66 HE21 GLN A 8 5.850 -19.084 3.120 1.00 0.00 H ATOM 67 H GLN A 8 2.667 -22.022 7.987 1.00 0.00 H ATOM 68 N VAL A 9 1.584 -18.080 8.700 1.00 37.27 N ATOM 69 CA VAL A 9 0.321 -17.354 8.965 1.00 36.64 C ATOM 70 C VAL A 9 0.403 -16.032 8.234 1.00 35.84 C ATOM 71 O VAL A 9 1.502 -15.626 7.821 1.00 35.74 O ATOM 72 CB VAL A 9 0.057 -17.172 10.472 1.00 36.14 C ATOM 73 CG1 VAL A 9 -0.177 -18.505 11.152 1.00 38.53 C ATOM 74 CG2 VAL A 9 1.171 -16.422 11.151 1.00 37.45 C ATOM 75 H VAL A 9 2.486 -17.583 8.847 1.00 0.00 H ATOM 76 N ARG A 10 -0.724 -15.437 7.980 1.00 36.37 N ATOM 77 CA ARG A 10 -0.777 -14.166 7.230 1.00 38.20 C ATOM 78 C ARG A 10 -1.390 -13.099 8.109 1.00 36.10 C ATOM 79 O ARG A 10 -2.401 -13.393 8.829 1.00 37.61 O ATOM 80 CB ARG A 10 -1.522 -14.372 5.911 1.00 41.57 C ATOM 81 CG ARG A 10 -0.662 -15.099 4.881 1.00 46.41 C ATOM 82 CD ARG A 10 -1.339 -15.364 3.552 1.00 52.58 C ATOM 83 NE ARG A 10 -2.565 -16.164 3.706 1.00 57.53 N ATOM 84 CZ ARG A 10 -3.807 -15.794 3.322 1.00 63.34 C ATOM 85 NH1 ARG A 10 -4.031 -14.619 2.752 1.00 64.73 N ATOM 86 NH2 ARG A 10 -4.825 -16.621 3.514 1.00 64.31 N ATOM 87 HE ARG A 10 -2.467 -17.099 4.151 1.00 0.00 H ATOM 88 HH12 ARG A 10 -4.995 -14.356 2.465 1.00 0.00 H ATOM 89 HH11 ARG A 10 -3.243 -13.960 2.592 1.00 0.00 H ATOM 90 HH22 ARG A 10 -5.783 -16.343 3.221 1.00 0.00 H ATOM 91 HH21 ARG A 10 -4.665 -17.548 3.958 1.00 0.00 H ATOM 92 H ARG A 10 -1.611 -15.867 8.313 1.00 0.00 H ATOM 93 N LEU A 11 -0.824 -11.907 8.020 1.00 33.63 N ATOM 94 CA LEU A 11 -1.327 -10.675 8.624 1.00 33.23 C ATOM 95 C LEU A 11 -1.556 -9.682 7.508 1.00 32.83 C ATOM 96 O LEU A 11 -0.850 -9.765 6.475 1.00 31.23 O ATOM 97 CB LEU A 11 -0.307 -10.101 9.585 1.00 34.13 C ATOM 98 CG LEU A 11 -0.057 -10.890 10.843 1.00 35.20 C ATOM 99 CD1 LEU A 11 0.863 -10.099 11.728 1.00 34.09 C ATOM 100 CD2 LEU A 11 -1.362 -11.211 11.547 1.00 36.27 C ATOM 101 H LEU A 11 0.057 -11.841 7.472 1.00 0.00 H ATOM 102 N GLU A 12 -2.566 -8.862 7.678 1.00 31.61 N ATOM 103 CA GLU A 12 -2.867 -7.730 6.778 1.00 33.04 C ATOM 104 C GLU A 12 -2.775 -6.470 7.611 1.00 30.99 C ATOM 105 O GLU A 12 -3.452 -6.404 8.638 1.00 31.79 O ATOM 106 CB GLU A 12 -4.244 -7.903 6.137 1.00 34.82 C ATOM 107 CG GLU A 12 -4.297 -9.068 5.154 1.00 38.31 C ATOM 108 CD GLU A 12 -5.641 -9.426 4.542 1.00 41.74 C ATOM 109 OE1 GLU A 12 -6.609 -8.688 4.744 1.00 41.87 O ATOM 110 OE2 GLU A 12 -5.711 -10.485 3.876 1.00 47.84 O ATOM 111 H GLU A 12 -3.191 -9.018 8.494 1.00 0.00 H ATOM 112 N LEU A 13 -1.845 -5.591 7.270 1.00 30.15 N ATOM 113 CA LEU A 13 -1.754 -4.257 7.862 1.00 30.72 C ATOM 114 C LEU A 13 -2.369 -3.312 6.855 1.00 30.32 C ATOM 115 O LEU A 13 -2.233 -3.562 5.672 1.00 33.67 O ATOM 116 CB LEU A 13 -0.294 -3.877 8.103 1.00 33.68 C ATOM 117 CG LEU A 13 0.391 -4.560 9.271 1.00 37.42 C ATOM 118 CD1 LEU A 13 0.556 -6.012 8.996 1.00 37.27 C ATOM 119 CD2 LEU A 13 1.745 -3.922 9.535 1.00 39.41 C ATOM 120 H LEU A 13 -1.147 -5.862 6.548 1.00 0.00 H ATOM 121 N GLY A 14 -3.016 -2.271 7.292 1.00 30.33 N ATOM 122 CA GLY A 14 -3.594 -1.351 6.320 1.00 28.82 C ATOM 123 C GLY A 14 -3.998 -0.080 6.959 1.00 29.23 C ATOM 124 O GLY A 14 -3.920 0.044 8.239 1.00 26.12 O ATOM 125 H GLY A 14 -3.119 -2.099 8.313 1.00 0.00 H ATOM 126 N HIS A 15 -4.409 0.866 6.145 1.00 29.15 N ATOM 127 CA HIS A 15 -4.944 2.121 6.666 1.00 29.14 C ATOM 128 C HIS A 15 -5.867 2.725 5.639 1.00 29.40 C ATOM 129 O HIS A 15 -5.751 2.399 4.436 1.00 28.29 O ATOM 130 CB HIS A 15 -3.826 3.065 7.125 1.00 29.70 C ATOM 131 CG HIS A 15 -3.199 3.864 6.029 1.00 30.92 C ATOM 132 ND1 HIS A 15 -2.411 3.296 5.060 1.00 31.23 N ATOM 133 CD2 HIS A 15 -3.225 5.205 5.772 1.00 33.09 C ATOM 134 CE1 HIS A 15 -1.972 4.251 4.241 1.00 33.06 C ATOM 135 NE2 HIS A 15 -2.485 5.430 4.655 1.00 32.89 N ATOM 136 H HIS A 15 -4.353 0.719 5.117 1.00 0.00 H ATOM 137 N ARG A 16 -6.779 3.529 6.140 1.00 30.29 N ATOM 138 CA ARG A 16 -7.647 4.388 5.339 1.00 33.36 C ATOM 139 C ARG A 16 -7.446 5.811 5.818 1.00 31.13 C ATOM 140 O ARG A 16 -7.281 6.016 6.983 1.00 30.24 O ATOM 141 CB ARG A 16 -9.108 3.984 5.505 1.00 35.28 C ATOM 142 CG ARG A 16 -9.333 2.529 5.172 1.00 40.35 C ATOM 143 CD ARG A 16 -10.776 2.116 5.036 1.00 45.53 C ATOM 144 NE ARG A 16 -10.670 0.672 4.796 1.00 52.56 N ATOM 145 CZ ARG A 16 -11.051 -0.283 5.644 1.00 59.24 C ATOM 146 NH1 ARG A 16 -10.840 -1.559 5.337 1.00 60.48 N ATOM 147 NH2 ARG A 16 -11.684 0.028 6.767 1.00 60.47 N ATOM 148 HE ARG A 16 -10.264 0.369 3.888 1.00 0.00 H ATOM 149 HH12 ARG A 16 -11.135 -2.308 5.995 1.00 0.00 H ATOM 150 HH11 ARG A 16 -10.379 -1.808 4.438 1.00 0.00 H ATOM 151 HH22 ARG A 16 -11.978 -0.723 7.423 1.00 0.00 H ATOM 152 HH21 ARG A 16 -11.886 1.023 6.991 1.00 0.00 H ATOM 153 H ARG A 16 -6.889 3.555 7.174 1.00 0.00 H ATOM 154 N ALA A 17 -7.581 6.749 4.931 1.00 33.62 N ATOM 155 CA ALA A 17 -7.589 8.167 5.278 1.00 32.39 C ATOM 156 C ALA A 17 -8.458 8.898 4.278 1.00 33.28 C ATOM 157 O ALA A 17 -8.390 8.590 3.085 1.00 33.77 O ATOM 158 CB ALA A 17 -6.197 8.705 5.297 1.00 33.27 C ATOM 159 H ALA A 17 -7.688 6.479 3.932 1.00 0.00 H ATOM 160 N GLN A 18 -9.120 9.921 4.741 1.00 37.13 N ATOM 161 CA GLN A 18 -9.921 10.789 3.874 1.00 39.63 C ATOM 162 C GLN A 18 -9.818 12.189 4.424 1.00 40.02 C ATOM 163 O GLN A 18 -9.634 12.352 5.671 1.00 39.47 O ATOM 164 CB GLN A 18 -11.365 10.299 3.820 1.00 43.16 C ATOM 165 CG GLN A 18 -12.134 10.647 5.079 1.00 48.45 C ATOM 166 CD GLN A 18 -13.370 9.812 5.293 1.00 56.15 C ATOM 167 OE1 GLN A 18 -13.617 8.839 4.580 1.00 57.55 O ATOM 168 NE2 GLN A 18 -14.140 10.178 6.313 1.00 55.83 N ATOM 169 HE22 GLN A 18 -13.886 11.009 6.884 1.00 0.00 H ATOM 170 HE21 GLN A 18 -14.996 9.633 6.540 1.00 0.00 H ATOM 171 H GLN A 18 -9.078 10.128 5.759 1.00 0.00 H ATOM 172 N LEU A 19 -10.003 13.162 3.550 1.00 42.24 N ATOM 173 CA LEU A 19 -10.088 14.583 3.928 1.00 46.22 C ATOM 174 C LEU A 19 -11.438 14.793 4.619 1.00 45.84 C ATOM 175 O LEU A 19 -12.463 14.320 4.077 1.00 45.05 O ATOM 176 CB LEU A 19 -9.943 15.420 2.648 1.00 49.76 C ATOM 177 CG LEU A 19 -9.526 16.871 2.841 1.00 54.28 C ATOM 178 CD1 LEU A 19 -8.145 16.954 3.466 1.00 55.46 C ATOM 179 CD2 LEU A 19 -9.558 17.625 1.510 1.00 58.02 C ATOM 180 H LEU A 19 -10.093 12.912 2.544 1.00 0.00 H ATOM 181 N ARG A 20 -11.441 15.329 5.829 1.00 47.38 N ATOM 182 CA ARG A 20 -12.700 15.785 6.476 1.00 48.38 C ATOM 183 C ARG A 20 -13.377 16.820 5.548 1.00 48.69 C ATOM 184 O ARG A 20 -12.653 17.619 4.902 1.00 45.29 O ATOM 185 CB ARG A 20 -12.403 16.371 7.855 1.00 48.27 C ATOM 186 CG ARG A 20 -11.838 15.359 8.839 1.00 47.30 C ATOM 187 CD ARG A 20 -11.736 15.892 10.250 1.00 46.38 C ATOM 188 NE ARG A 20 -13.034 16.369 10.686 1.00 46.88 N ATOM 189 CZ ARG A 20 -13.935 15.653 11.350 1.00 47.75 C ATOM 190 NH1 ARG A 20 -15.108 16.196 11.637 1.00 49.05 N ATOM 191 NH2 ARG A 20 -13.669 14.419 11.751 1.00 43.91 N ATOM 192 HE ARG A 20 -13.280 17.354 10.460 1.00 0.00 H ATOM 193 HH12 ARG A 20 -15.822 15.647 12.156 1.00 0.00 H ATOM 194 HH11 ARG A 20 -15.315 17.172 11.343 1.00 0.00 H ATOM 195 HH22 ARG A 20 -14.387 13.874 12.270 1.00 0.00 H ATOM 196 HH21 ARG A 20 -12.742 13.995 11.547 1.00 0.00 H ATOM 197 H ARG A 20 -10.541 15.434 6.340 1.00 0.00 H ATOM 198 N LYS A 21 -14.707 16.792 5.466 1.00 52.40 N ATOM 199 CA LYS A 21 -15.519 17.869 4.828 1.00 58.05 C ATOM 200 C LYS A 21 -15.050 19.232 5.355 1.00 55.76 C ATOM 201 O LYS A 21 -14.952 20.159 4.554 1.00 55.41 O ATOM 202 CB LYS A 21 -17.012 17.666 5.099 1.00 61.38 C ATOM 203 CG LYS A 21 -17.731 16.742 4.122 1.00 65.21 C ATOM 204 CD LYS A 21 -19.251 16.924 4.132 1.00 71.00 C ATOM 205 CE LYS A 21 -20.016 15.700 3.660 1.00 73.48 C ATOM 206 NZ LYS A 21 -20.028 14.627 4.687 1.00 72.79 N ATOM 207 HZ1 LYS A 21 -19.051 14.340 4.899 1.00 0.00 H ATOM 208 HZ2 LYS A 21 -20.482 14.982 5.553 1.00 0.00 H ATOM 209 HZ3 LYS A 21 -20.560 13.809 4.326 1.00 0.00 H ATOM 210 H LYS A 21 -15.207 15.974 5.869 1.00 0.00 H ATOM 211 N LYS A 22 -14.787 19.341 6.666 1.00 54.61 N ATOM 212 CA LYS A 22 -14.240 20.570 7.308 1.00 57.04 C ATOM 213 C LYS A 22 -13.253 20.175 8.396 1.00 52.33 C ATOM 214 O LYS A 22 -13.519 19.264 9.181 1.00 50.24 O ATOM 215 CB LYS A 22 -15.363 21.436 7.899 1.00 64.69 C ATOM 216 CG LYS A 22 -16.407 21.925 6.899 1.00 70.23 C ATOM 217 CD LYS A 22 -15.894 22.957 5.922 1.00 76.27 C ATOM 218 CE LYS A 22 -17.012 23.614 5.135 1.00 80.45 C ATOM 219 NZ LYS A 22 -16.486 24.434 4.022 1.00 81.77 N ATOM 220 HZ1 LYS A 22 -15.870 25.180 4.404 1.00 0.00 H ATOM 221 HZ2 LYS A 22 -15.940 23.829 3.375 1.00 0.00 H ATOM 222 HZ3 LYS A 22 -17.279 24.867 3.507 1.00 0.00 H ATOM 223 H LYS A 22 -14.976 18.517 7.272 1.00 0.00 H ATOM 224 N PRO A 23 -12.099 20.868 8.494 1.00 52.53 N ATOM 225 CA PRO A 23 -11.136 20.599 9.558 1.00 54.29 C ATOM 226 C PRO A 23 -11.792 20.675 10.941 1.00 54.90 C ATOM 227 O PRO A 23 -12.836 21.340 11.078 1.00 54.27 O ATOM 228 CB PRO A 23 -10.070 21.691 9.385 1.00 55.93 C ATOM 229 CG PRO A 23 -10.172 22.077 7.917 1.00 56.70 C ATOM 230 CD PRO A 23 -11.642 21.923 7.576 1.00 56.14 C ATOM 231 N THR A 24 -11.227 19.964 11.919 1.00 50.77 N ATOM 232 CA THR A 24 -11.615 20.107 13.333 1.00 50.23 C ATOM 233 C THR A 24 -11.137 21.486 13.799 1.00 50.39 C ATOM 234 O THR A 24 -10.260 22.132 13.088 1.00 46.23 O ATOM 235 CB THR A 24 -11.077 18.973 14.218 1.00 49.22 C ATOM 236 OG1 THR A 24 -9.680 19.224 14.389 1.00 46.96 O ATOM 237 CG2 THR A 24 -11.322 17.579 13.666 1.00 50.09 C ATOM 238 HG1 THR A 24 -9.286 18.515 14.956 1.00 0.00 H ATOM 239 H THR A 24 -10.482 19.281 11.673 1.00 0.00 H ATOM 240 N THR A 25 -11.650 21.937 14.937 1.00 52.15 N ATOM 241 CA THR A 25 -11.259 23.224 15.571 1.00 54.29 C ATOM 242 C THR A 25 -9.746 23.249 15.767 1.00 53.11 C ATOM 243 O THR A 25 -9.167 24.370 15.809 1.00 53.33 O ATOM 244 CB THR A 25 -11.946 23.404 16.923 1.00 59.27 C ATOM 245 OG1 THR A 25 -11.581 22.245 17.679 1.00 59.74 O ATOM 246 CG2 THR A 25 -13.451 23.528 16.808 1.00 60.54 C ATOM 247 HG1 THR A 25 -11.900 21.433 17.211 1.00 0.00 H ATOM 248 H THR A 25 -12.368 21.355 15.414 1.00 0.00 H ATOM 249 N GLU A 26 -9.141 22.066 15.931 1.00 50.37 N ATOM 250 CA GLU A 26 -7.696 21.908 16.228 1.00 50.41 C ATOM 251 C GLU A 26 -6.894 22.042 14.930 1.00 50.00 C ATOM 252 O GLU A 26 -5.617 22.004 15.010 1.00 54.09 O ATOM 253 CB GLU A 26 -7.450 20.585 16.960 1.00 51.30 C ATOM 254 CG GLU A 26 -7.810 20.639 18.440 1.00 53.59 C ATOM 255 CD GLU A 26 -6.977 21.617 19.276 1.00 58.34 C ATOM 256 OE1 GLU A 26 -5.698 21.699 19.075 1.00 58.90 O ATOM 257 OE2 GLU A 26 -7.578 22.292 20.137 1.00 59.44 O ATOM 258 H GLU A 26 -9.719 21.206 15.845 1.00 0.00 H ATOM 259 N GLY A 27 -7.592 22.200 13.788 1.00 46.62 N ATOM 260 CA GLY A 27 -6.977 22.187 12.436 1.00 48.59 C ATOM 261 C GLY A 27 -6.606 20.779 11.951 1.00 46.56 C ATOM 262 O GLY A 27 -5.670 20.643 11.100 1.00 48.14 O ATOM 263 H GLY A 27 -8.620 22.339 13.857 1.00 0.00 H ATOM 264 N PHE A 28 -7.285 19.745 12.447 1.00 44.59 N ATOM 265 CA PHE A 28 -7.120 18.360 11.927 1.00 42.76 C ATOM 266 C PHE A 28 -7.951 18.218 10.653 1.00 40.53 C ATOM 267 O PHE A 28 -9.157 18.439 10.694 1.00 40.83 O ATOM 268 CB PHE A 28 -7.513 17.315 12.970 1.00 43.83 C ATOM 269 CG PHE A 28 -6.821 17.428 14.312 1.00 45.93 C ATOM 270 CD1 PHE A 28 -5.628 18.106 14.460 1.00 48.33 C ATOM 271 CD2 PHE A 28 -7.353 16.794 15.427 1.00 50.97 C ATOM 272 CE1 PHE A 28 -5.003 18.191 15.697 1.00 50.18 C ATOM 273 CE2 PHE A 28 -6.729 16.880 16.662 1.00 51.67 C ATOM 274 CZ PHE A 28 -5.546 17.564 16.789 1.00 50.72 C ATOM 275 H PHE A 28 -7.954 19.912 13.225 1.00 0.00 H ATOM 276 N THR A 29 -7.269 17.958 9.551 1.00 38.51 N ATOM 277 CA THR A 29 -7.797 17.991 8.172 1.00 39.77 C ATOM 278 C THR A 29 -8.339 16.617 7.773 1.00 39.75 C ATOM 279 O THR A 29 -9.251 16.555 6.897 1.00 37.74 O ATOM 280 CB THR A 29 -6.688 18.465 7.232 1.00 39.85 C ATOM 281 OG1 THR A 29 -5.521 17.689 7.524 1.00 38.84 O ATOM 282 CG2 THR A 29 -6.391 19.936 7.408 1.00 43.32 C ATOM 283 HG1 THR A 29 -4.781 17.972 6.930 1.00 0.00 H ATOM 284 H THR A 29 -6.266 17.707 9.666 1.00 0.00 H ATOM 285 N HIS A 30 -7.795 15.545 8.373 1.00 37.14 N ATOM 286 CA HIS A 30 -8.026 14.160 7.918 1.00 36.31 C ATOM 287 C HIS A 30 -8.568 13.293 9.035 1.00 36.08 C ATOM 288 O HIS A 30 -8.211 13.508 10.213 1.00 35.58 O ATOM 289 CB HIS A 30 -6.754 13.520 7.353 1.00 35.51 C ATOM 290 CG HIS A 30 -6.366 14.015 6.015 1.00 34.48 C ATOM 291 ND1 HIS A 30 -5.813 15.270 5.836 1.00 36.86 N ATOM 292 CD2 HIS A 30 -6.368 13.408 4.807 1.00 36.50 C ATOM 293 CE1 HIS A 30 -5.481 15.416 4.564 1.00 40.46 C ATOM 294 NE2 HIS A 30 -5.807 14.267 3.910 1.00 38.58 N ATOM 295 H HIS A 30 -7.181 15.699 9.198 1.00 0.00 H ATOM 296 N ASP A 31 -9.387 12.322 8.640 1.00 37.69 N ATOM 297 CA ASP A 31 -9.722 11.127 9.444 1.00 36.54 C ATOM 298 C ASP A 31 -8.885 9.970 8.902 1.00 34.49 C ATOM 299 O ASP A 31 -8.855 9.769 7.655 1.00 35.74 O ATOM 300 CB ASP A 31 -11.211 10.773 9.384 1.00 38.52 C ATOM 301 CG ASP A 31 -12.136 11.866 9.916 1.00 44.02 C ATOM 302 OD1 ASP A 31 -11.705 12.630 10.814 1.00 44.63 O ATOM 303 OD2 ASP A 31 -13.265 11.938 9.436 1.00 48.58 O ATOM 304 H ASP A 31 -9.822 12.409 7.700 1.00 0.00 H ATOM 305 N TRP A 32 -8.287 9.195 9.786 1.00 32.74 N ATOM 306 CA TRP A 32 -7.540 8.004 9.361 1.00 31.02 C ATOM 307 C TRP A 32 -7.746 6.856 10.344 1.00 30.13 C ATOM 308 O TRP A 32 -8.238 7.055 11.479 1.00 30.17 O ATOM 309 CB TRP A 32 -6.053 8.325 9.108 1.00 30.45 C ATOM 310 CG TRP A 32 -5.285 8.888 10.257 1.00 31.60 C ATOM 311 CD1 TRP A 32 -4.798 10.177 10.385 1.00 32.26 C ATOM 312 CD2 TRP A 32 -4.732 8.138 11.350 1.00 31.45 C ATOM 313 NE1 TRP A 32 -4.029 10.279 11.512 1.00 31.92 N ATOM 314 CE2 TRP A 32 -3.995 9.039 12.137 1.00 33.08 C ATOM 315 CE3 TRP A 32 -4.822 6.790 11.752 1.00 33.12 C ATOM 316 CZ2 TRP A 32 -3.346 8.637 13.308 1.00 32.90 C ATOM 317 CZ3 TRP A 32 -4.221 6.410 12.925 1.00 33.40 C ATOM 318 CH2 TRP A 32 -3.429 7.308 13.653 1.00 34.38 C ATOM 319 HE1 TRP A 32 -3.550 11.140 11.845 1.00 0.00 H ATOM 320 H TRP A 32 -8.345 9.430 10.797 1.00 0.00 H ATOM 321 N MET A 33 -7.506 5.681 9.835 1.00 29.74 N ATOM 322 CA MET A 33 -7.651 4.432 10.572 1.00 31.19 C ATOM 323 C MET A 33 -6.539 3.514 10.078 1.00 28.99 C ATOM 324 O MET A 33 -6.295 3.488 8.871 1.00 32.20 O ATOM 325 CB MET A 33 -9.041 3.832 10.339 1.00 33.62 C ATOM 326 CG MET A 33 -9.382 2.698 11.277 1.00 40.06 C ATOM 327 SD MET A 33 -8.895 1.105 10.585 1.00 43.36 S ATOM 328 CE MET A 33 -10.009 1.005 9.188 1.00 41.76 C ATOM 329 H MET A 33 -7.193 5.631 8.845 1.00 0.00 H ATOM 330 N VAL A 34 -5.801 2.935 11.013 1.00 30.01 N ATOM 331 CA VAL A 34 -4.770 1.901 10.766 1.00 28.26 C ATOM 332 C VAL A 34 -5.187 0.632 11.503 1.00 27.94 C ATOM 333 O VAL A 34 -5.833 0.703 12.610 1.00 30.93 O ATOM 334 CB VAL A 34 -3.395 2.391 11.228 1.00 29.53 C ATOM 335 CG1 VAL A 34 -3.392 2.589 12.731 1.00 31.40 C ATOM 336 CG2 VAL A 34 -2.280 1.476 10.782 1.00 30.85 C ATOM 337 H VAL A 34 -5.958 3.230 11.998 1.00 0.00 H ATOM 338 N PHE A 35 -4.871 -0.500 10.941 1.00 27.36 N ATOM 339 CA PHE A 35 -5.295 -1.765 11.539 1.00 27.77 C ATOM 340 C PHE A 35 -4.320 -2.868 11.214 1.00 27.55 C ATOM 341 O PHE A 35 -3.543 -2.792 10.256 1.00 26.59 O ATOM 342 CB PHE A 35 -6.674 -2.166 11.040 1.00 27.09 C ATOM 343 CG PHE A 35 -6.735 -2.334 9.547 1.00 27.73 C ATOM 344 CD1 PHE A 35 -6.434 -3.543 8.955 1.00 28.73 C ATOM 345 CD2 PHE A 35 -7.067 -1.264 8.728 1.00 27.90 C ATOM 346 CE1 PHE A 35 -6.467 -3.674 7.573 1.00 29.97 C ATOM 347 CE2 PHE A 35 -7.151 -1.417 7.359 1.00 29.36 C ATOM 348 CZ PHE A 35 -6.851 -2.608 6.783 1.00 29.91 C ATOM 349 H PHE A 35 -4.314 -0.504 10.063 1.00 0.00 H ATOM 350 N VAL A 36 -4.480 -3.931 11.975 1.00 27.17 N ATOM 351 CA VAL A 36 -3.874 -5.253 11.730 1.00 28.42 C ATOM 352 C VAL A 36 -5.028 -6.233 11.792 1.00 28.11 C ATOM 353 O VAL A 36 -5.804 -6.143 12.731 1.00 27.89 O ATOM 354 CB VAL A 36 -2.789 -5.607 12.760 1.00 27.40 C ATOM 355 CG1 VAL A 36 -2.289 -7.021 12.545 1.00 29.17 C ATOM 356 CG2 VAL A 36 -1.645 -4.615 12.751 1.00 28.60 C ATOM 357 H VAL A 36 -5.082 -3.830 12.817 1.00 0.00 H ATOM 358 N ARG A 37 -5.131 -7.102 10.811 1.00 28.55 N ATOM 359 CA ARG A 37 -6.205 -8.113 10.765 1.00 29.57 C ATOM 360 C ARG A 37 -5.657 -9.357 10.112 1.00 29.95 C ATOM 361 O ARG A 37 -4.535 -9.300 9.552 1.00 30.27 O ATOM 362 CB ARG A 37 -7.411 -7.556 10.014 1.00 29.73 C ATOM 363 CG ARG A 37 -7.153 -7.383 8.536 1.00 30.80 C ATOM 364 CD ARG A 37 -8.348 -6.872 7.793 1.00 33.19 C ATOM 365 NE ARG A 37 -8.138 -7.002 6.368 1.00 35.55 N ATOM 366 CZ ARG A 37 -8.716 -6.232 5.448 1.00 37.38 C ATOM 367 NH1 ARG A 37 -9.564 -5.294 5.811 1.00 37.92 N ATOM 368 NH2 ARG A 37 -8.482 -6.444 4.170 1.00 39.38 N ATOM 369 HE ARG A 37 -7.492 -7.748 6.039 1.00 0.00 H ATOM 370 HH12 ARG A 37 -10.015 -4.693 5.091 1.00 0.00 H ATOM 371 HH11 ARG A 37 -9.784 -5.153 6.818 1.00 0.00 H ATOM 372 HH22 ARG A 37 -8.934 -5.842 3.452 1.00 0.00 H ATOM 373 HH21 ARG A 37 -7.846 -7.213 3.878 1.00 0.00 H ATOM 374 H ARG A 37 -4.432 -7.076 10.041 1.00 0.00 H ATOM 375 N GLY A 38 -6.402 -10.458 10.233 1.00 32.04 N ATOM 376 CA GLY A 38 -6.165 -11.673 9.465 1.00 33.69 C ATOM 377 C GLY A 38 -6.946 -11.627 8.171 1.00 36.40 C ATOM 378 O GLY A 38 -7.878 -10.829 8.026 1.00 35.21 O ATOM 379 H GLY A 38 -7.192 -10.448 10.910 1.00 0.00 H ATOM 380 N PRO A 39 -6.624 -12.505 7.210 1.00 39.55 N ATOM 381 CA PRO A 39 -7.488 -12.708 6.058 1.00 42.32 C ATOM 382 C PRO A 39 -8.846 -13.257 6.532 1.00 43.63 C ATOM 383 O PRO A 39 -8.942 -13.676 7.657 1.00 39.85 O ATOM 384 CB PRO A 39 -6.773 -13.758 5.188 1.00 44.98 C ATOM 385 CG PRO A 39 -5.409 -13.999 5.854 1.00 43.08 C ATOM 386 CD PRO A 39 -5.513 -13.455 7.266 1.00 42.19 C ATOM 387 N GLU A 40 -9.837 -13.253 5.647 1.00 50.17 N ATOM 388 CA GLU A 40 -11.208 -13.779 5.895 1.00 52.36 C ATOM 389 C GLU A 40 -11.138 -15.177 6.547 1.00 51.52 C ATOM 390 O GLU A 40 -10.317 -16.013 6.106 1.00 50.79 O ATOM 391 CB GLU A 40 -11.970 -13.835 4.575 1.00 60.69 C ATOM 392 CG GLU A 40 -12.146 -12.481 3.911 1.00 64.79 C ATOM 393 CD GLU A 40 -12.752 -12.535 2.511 1.00 72.95 C ATOM 394 OE1 GLU A 40 -12.615 -13.596 1.830 1.00 81.36 O ATOM 395 OE2 GLU A 40 -13.367 -11.528 2.101 1.00 75.88 O ATOM 396 H GLU A 40 -9.640 -12.851 4.708 1.00 0.00 H ATOM 397 N GLN A 41 -11.935 -15.391 7.595 1.00 51.70 N ATOM 398 CA GLN A 41 -12.218 -16.721 8.210 1.00 55.94 C ATOM 399 C GLN A 41 -11.033 -17.195 9.060 1.00 54.41 C ATOM 400 O GLN A 41 -10.986 -18.406 9.382 1.00 56.22 O ATOM 401 CB GLN A 41 -12.523 -17.765 7.133 1.00 59.87 C ATOM 402 CG GLN A 41 -13.713 -17.385 6.267 1.00 65.35 C ATOM 403 CD GLN A 41 -14.224 -18.549 5.462 1.00 71.06 C ATOM 404 OE1 GLN A 41 -13.913 -19.704 5.734 1.00 79.70 O ATOM 405 NE2 GLN A 41 -15.040 -18.249 4.470 1.00 77.47 N ATOM 406 HE22 GLN A 41 -15.277 -17.256 4.274 1.00 0.00 H ATOM 407 HE21 GLN A 41 -15.446 -19.006 3.884 1.00 0.00 H ATOM 408 H GLN A 41 -12.398 -14.562 8.019 1.00 0.00 H ATOM 409 N CYS A 42 -10.076 -16.310 9.348 1.00 49.98 N ATOM 410 CA CYS A 42 -8.916 -16.595 10.236 1.00 48.67 C ATOM 411 C CYS A 42 -9.090 -15.783 11.496 1.00 47.04 C ATOM 412 O CYS A 42 -9.686 -14.713 11.418 1.00 48.27 O ATOM 413 CB CYS A 42 -7.594 -16.263 9.566 1.00 47.91 C ATOM 414 SG CYS A 42 -7.309 -17.269 8.098 1.00 54.45 S ATOM 415 H CYS A 42 -10.145 -15.362 8.926 1.00 0.00 H ATOM 416 N ASP A 43 -8.669 -16.309 12.623 1.00 42.94 N ATOM 417 CA ASP A 43 -8.758 -15.581 13.902 1.00 42.83 C ATOM 418 C ASP A 43 -7.342 -15.435 14.453 1.00 39.35 C ATOM 419 O ASP A 43 -6.865 -16.409 15.076 1.00 39.37 O ATOM 420 CB ASP A 43 -9.673 -16.320 14.858 1.00 47.13 C ATOM 421 CG ASP A 43 -10.020 -15.512 16.084 1.00 53.59 C ATOM 422 OD1 ASP A 43 -9.399 -14.398 16.273 1.00 55.62 O ATOM 423 OD2 ASP A 43 -10.939 -15.967 16.827 1.00 63.68 O ATOM 424 H ASP A 43 -8.261 -17.266 12.613 1.00 0.00 H ATOM 425 N ILE A 44 -6.695 -14.289 14.216 1.00 36.62 N ATOM 426 CA ILE A 44 -5.260 -14.087 14.571 1.00 34.90 C ATOM 427 C ILE A 44 -5.177 -13.973 16.088 1.00 34.34 C ATOM 428 O ILE A 44 -4.095 -14.141 16.626 1.00 34.56 O ATOM 429 CB ILE A 44 -4.618 -12.885 13.842 1.00 35.55 C ATOM 430 CG1 ILE A 44 -5.328 -11.563 14.156 1.00 34.69 C ATOM 431 CG2 ILE A 44 -4.538 -13.160 12.347 1.00 36.45 C ATOM 432 CD1 ILE A 44 -4.564 -10.348 13.726 1.00 33.99 C ATOM 433 H ILE A 44 -7.213 -13.507 13.766 1.00 0.00 H ATOM 434 N GLN A 45 -6.304 -13.776 16.757 1.00 34.32 N ATOM 435 CA GLN A 45 -6.289 -13.573 18.224 1.00 37.56 C ATOM 436 C GLN A 45 -5.757 -14.851 18.899 1.00 38.39 C ATOM 437 O GLN A 45 -5.274 -14.760 20.037 1.00 39.45 O ATOM 438 CB GLN A 45 -7.676 -13.207 18.740 1.00 40.78 C ATOM 439 CG GLN A 45 -7.682 -12.937 20.227 1.00 44.14 C ATOM 440 CD GLN A 45 -9.049 -12.527 20.692 1.00 46.91 C ATOM 441 OE1 GLN A 45 -10.034 -12.683 19.976 1.00 49.68 O ATOM 442 NE2 GLN A 45 -9.114 -12.033 21.914 1.00 50.22 N ATOM 443 HE22 GLN A 45 -8.247 -11.922 22.477 1.00 0.00 H ATOM 444 HE21 GLN A 45 -10.033 -11.754 22.314 1.00 0.00 H ATOM 445 H GLN A 45 -7.210 -13.764 16.246 1.00 0.00 H ATOM 446 N HIS A 46 -5.855 -16.001 18.235 1.00 38.07 N ATOM 447 CA HIS A 46 -5.291 -17.278 18.744 1.00 40.73 C ATOM 448 C HIS A 46 -3.792 -17.132 19.014 1.00 40.56 C ATOM 449 O HIS A 46 -3.291 -17.761 19.964 1.00 43.80 O ATOM 450 CB HIS A 46 -5.580 -18.439 17.797 1.00 42.09 C ATOM 451 CG HIS A 46 -6.995 -18.888 17.866 1.00 41.34 C ATOM 452 ND1 HIS A 46 -7.842 -18.694 16.841 1.00 42.68 N ATOM 453 CD2 HIS A 46 -7.721 -19.425 18.875 1.00 44.90 C ATOM 454 CE1 HIS A 46 -9.052 -19.121 17.170 1.00 43.29 C ATOM 455 NE2 HIS A 46 -9.004 -19.566 18.416 1.00 46.15 N ATOM 456 H HIS A 46 -6.348 -16.006 17.319 1.00 0.00 H ATOM 457 N PHE A 47 -3.071 -16.364 18.216 1.00 38.44 N ATOM 458 CA PHE A 47 -1.591 -16.373 18.301 1.00 37.42 C ATOM 459 C PHE A 47 -1.095 -14.976 18.636 1.00 37.20 C ATOM 460 O PHE A 47 0.071 -14.838 19.009 1.00 34.63 O ATOM 461 CB PHE A 47 -0.977 -16.998 17.048 1.00 37.62 C ATOM 462 CG PHE A 47 -0.954 -16.148 15.806 1.00 38.09 C ATOM 463 CD1 PHE A 47 0.055 -15.223 15.593 1.00 37.46 C ATOM 464 CD2 PHE A 47 -1.893 -16.329 14.810 1.00 38.46 C ATOM 465 CE1 PHE A 47 0.095 -14.472 14.427 1.00 38.01 C ATOM 466 CE2 PHE A 47 -1.855 -15.572 13.654 1.00 37.01 C ATOM 467 CZ PHE A 47 -0.868 -14.643 13.467 1.00 37.63 C ATOM 468 H PHE A 47 -3.545 -15.749 17.524 1.00 0.00 H ATOM 469 N VAL A 48 -1.958 -13.964 18.506 1.00 34.85 N ATOM 470 CA VAL A 48 -1.587 -12.556 18.802 1.00 34.18 C ATOM 471 C VAL A 48 -1.991 -12.245 20.250 1.00 36.66 C ATOM 472 O VAL A 48 -3.190 -12.291 20.537 1.00 36.52 O ATOM 473 CB VAL A 48 -2.228 -11.564 17.811 1.00 33.16 C ATOM 474 CG1 VAL A 48 -1.942 -10.123 18.221 1.00 33.74 C ATOM 475 CG2 VAL A 48 -1.754 -11.782 16.388 1.00 32.21 C ATOM 476 H VAL A 48 -2.926 -14.170 18.186 1.00 0.00 H ATOM 477 N GLU A 49 -1.029 -11.867 21.096 1.00 37.00 N ATOM 478 CA GLU A 49 -1.269 -11.359 22.467 1.00 39.54 C ATOM 479 C GLU A 49 -1.858 -9.947 22.373 1.00 37.48 C ATOM 480 O GLU A 49 -2.856 -9.681 23.025 1.00 38.17 O ATOM 481 CB GLU A 49 0.032 -11.338 23.275 1.00 42.67 C ATOM 482 CG GLU A 49 -0.150 -10.856 24.704 1.00 48.31 C ATOM 483 CD GLU A 49 1.067 -10.236 25.385 1.00 57.55 C ATOM 484 OE1 GLU A 49 2.133 -10.018 24.704 1.00 61.91 O ATOM 485 OE2 GLU A 49 0.955 -9.935 26.594 1.00 68.28 O ATOM 486 H GLU A 49 -0.044 -11.934 20.770 1.00 0.00 H ATOM 487 N LYS A 50 -1.207 -9.076 21.616 1.00 35.60 N ATOM 488 CA LYS A 50 -1.604 -7.657 21.473 1.00 34.75 C ATOM 489 C LYS A 50 -0.911 -7.041 20.270 1.00 34.06 C ATOM 490 O LYS A 50 0.089 -7.608 19.736 1.00 32.37 O ATOM 491 CB LYS A 50 -1.262 -6.863 22.733 1.00 36.78 C ATOM 492 CG LYS A 50 0.228 -6.751 23.033 1.00 38.71 C ATOM 493 CD LYS A 50 0.507 -6.324 24.423 1.00 42.60 C ATOM 494 CE LYS A 50 1.987 -6.395 24.767 1.00 45.95 C ATOM 495 NZ LYS A 50 2.302 -5.464 25.865 1.00 48.45 N ATOM 496 HZ1 LYS A 50 2.067 -4.494 25.574 1.00 0.00 H ATOM 497 HZ2 LYS A 50 1.745 -5.720 26.705 1.00 0.00 H ATOM 498 HZ3 LYS A 50 3.316 -5.524 26.089 1.00 0.00 H ATOM 499 H LYS A 50 -0.371 -9.407 21.093 1.00 0.00 H ATOM 500 N VAL A 51 -1.453 -5.937 19.813 1.00 31.24 N ATOM 501 CA VAL A 51 -0.837 -5.109 18.763 1.00 31.00 C ATOM 502 C VAL A 51 -0.623 -3.758 19.386 1.00 30.03 C ATOM 503 O VAL A 51 -1.547 -3.270 20.031 1.00 30.88 O ATOM 504 CB VAL A 51 -1.695 -5.038 17.488 1.00 30.20 C ATOM 505 CG1 VAL A 51 -1.114 -4.080 16.450 1.00 29.58 C ATOM 506 CG2 VAL A 51 -1.917 -6.420 16.904 1.00 29.76 C ATOM 507 H VAL A 51 -2.363 -5.632 20.212 1.00 0.00 H ATOM 508 N VAL A 52 0.591 -3.252 19.278 1.00 32.10 N ATOM 509 CA VAL A 52 0.964 -1.896 19.749 1.00 34.97 C ATOM 510 C VAL A 52 1.229 -1.024 18.535 1.00 34.12 C ATOM 511 O VAL A 52 2.077 -1.393 17.715 1.00 36.63 O ATOM 512 CB VAL A 52 2.159 -1.928 20.696 1.00 35.40 C ATOM 513 CG1 VAL A 52 2.472 -0.538 21.193 1.00 38.29 C ATOM 514 CG2 VAL A 52 1.929 -2.880 21.857 1.00 37.93 C ATOM 515 H VAL A 52 1.329 -3.838 18.837 1.00 0.00 H ATOM 516 N PHE A 53 0.466 0.054 18.416 1.00 33.05 N ATOM 517 CA PHE A 53 0.624 1.092 17.387 1.00 33.08 C ATOM 518 C PHE A 53 1.323 2.282 18.037 1.00 33.59 C ATOM 519 O PHE A 53 0.828 2.791 19.070 1.00 38.14 O ATOM 520 CB PHE A 53 -0.728 1.492 16.810 1.00 30.79 C ATOM 521 CG PHE A 53 -1.550 0.360 16.238 1.00 29.50 C ATOM 522 CD1 PHE A 53 -2.394 -0.366 17.047 1.00 30.47 C ATOM 523 CD2 PHE A 53 -1.536 0.087 14.880 1.00 28.62 C ATOM 524 CE1 PHE A 53 -3.180 -1.370 16.523 1.00 29.28 C ATOM 525 CE2 PHE A 53 -2.368 -0.895 14.348 1.00 29.51 C ATOM 526 CZ PHE A 53 -3.134 -1.657 15.184 1.00 28.28 C ATOM 527 H PHE A 53 -0.304 0.175 19.104 1.00 0.00 H ATOM 528 N TRP A 54 2.507 2.605 17.560 1.00 32.73 N ATOM 529 CA TRP A 54 3.337 3.707 18.119 1.00 35.44 C ATOM 530 C TRP A 54 3.112 4.948 17.276 1.00 33.12 C ATOM 531 O TRP A 54 3.704 5.049 16.197 1.00 33.48 O ATOM 532 CB TRP A 54 4.800 3.317 18.161 1.00 37.16 C ATOM 533 CG TRP A 54 5.101 2.236 19.144 1.00 41.48 C ATOM 534 CD1 TRP A 54 5.177 0.899 18.884 1.00 44.01 C ATOM 535 CD2 TRP A 54 5.446 2.397 20.535 1.00 45.93 C ATOM 536 NE1 TRP A 54 5.558 0.216 20.011 1.00 46.44 N ATOM 537 CE2 TRP A 54 5.704 1.103 21.047 1.00 46.59 C ATOM 538 CE3 TRP A 54 5.565 3.499 21.397 1.00 46.17 C ATOM 539 CZ2 TRP A 54 6.048 0.880 22.388 1.00 47.49 C ATOM 540 CZ3 TRP A 54 5.915 3.278 22.718 1.00 47.83 C ATOM 541 CH2 TRP A 54 6.136 1.986 23.207 1.00 47.61 C ATOM 542 HE1 TRP A 54 5.712 -0.811 20.070 1.00 0.00 H ATOM 543 H TRP A 54 2.880 2.064 16.754 1.00 0.00 H ATOM 544 N LEU A 55 2.171 5.763 17.702 1.00 35.05 N ATOM 545 CA LEU A 55 1.772 7.001 17.017 1.00 35.56 C ATOM 546 C LEU A 55 2.906 8.003 17.156 1.00 37.35 C ATOM 547 O LEU A 55 3.779 7.811 18.032 1.00 38.17 O ATOM 548 CB LEU A 55 0.488 7.542 17.637 1.00 35.22 C ATOM 549 CG LEU A 55 -0.795 7.055 16.985 1.00 36.86 C ATOM 550 CD1 LEU A 55 -0.777 5.563 16.841 1.00 34.26 C ATOM 551 CD2 LEU A 55 -2.018 7.529 17.748 1.00 37.34 C ATOM 552 H LEU A 55 1.676 5.515 18.582 1.00 0.00 H ATOM 553 N HIS A 56 2.884 9.011 16.307 1.00 37.50 N ATOM 554 CA HIS A 56 3.850 10.127 16.304 1.00 39.27 C ATOM 555 C HIS A 56 3.873 10.785 17.707 1.00 41.65 C ATOM 556 O HIS A 56 2.796 10.871 18.334 1.00 44.45 O ATOM 557 CB HIS A 56 3.497 11.083 15.164 1.00 38.93 C ATOM 558 CG HIS A 56 4.583 12.055 14.885 1.00 39.68 C ATOM 559 ND1 HIS A 56 4.570 13.303 15.418 1.00 40.77 N ATOM 560 CD2 HIS A 56 5.743 11.930 14.212 1.00 41.35 C ATOM 561 CE1 HIS A 56 5.646 13.956 15.041 1.00 41.02 C ATOM 562 NE2 HIS A 56 6.402 13.130 14.329 1.00 41.06 N ATOM 563 H HIS A 56 2.133 9.021 15.588 1.00 0.00 H ATOM 564 N ASP A 57 5.056 11.220 18.181 1.00 43.01 N ATOM 565 CA ASP A 57 5.250 11.867 19.507 1.00 48.07 C ATOM 566 C ASP A 57 4.237 13.028 19.652 1.00 49.32 C ATOM 567 O ASP A 57 3.911 13.350 20.771 1.00 51.13 O ATOM 568 CB ASP A 57 6.687 12.380 19.697 1.00 50.50 C ATOM 569 CG ASP A 57 7.757 11.302 19.909 1.00 54.49 C ATOM 570 OD1 ASP A 57 7.397 10.107 20.048 1.00 52.61 O ATOM 571 OD2 ASP A 57 8.960 11.664 19.932 1.00 54.40 O ATOM 572 H ASP A 57 5.894 11.095 17.577 1.00 0.00 H ATOM 573 N SER A 58 3.681 13.551 18.546 1.00 50.03 N ATOM 574 CA SER A 58 2.736 14.714 18.536 1.00 46.96 C ATOM 575 C SER A 58 1.355 14.312 19.068 1.00 49.31 C ATOM 576 O SER A 58 0.542 15.219 19.391 1.00 49.04 O ATOM 577 CB SER A 58 2.646 15.350 17.155 1.00 47.09 C ATOM 578 OG SER A 58 2.242 14.421 16.139 1.00 41.93 O ATOM 579 HG SER A 58 2.899 13.682 16.089 1.00 0.00 H ATOM 580 H SER A 58 3.924 13.118 17.632 1.00 0.00 H ATOM 581 N PHE A 59 1.091 13.010 19.211 1.00 45.81 N ATOM 582 CA PHE A 59 -0.183 12.486 19.741 1.00 47.20 C ATOM 583 C PHE A 59 -0.072 12.262 21.235 1.00 48.67 C ATOM 584 O PHE A 59 0.956 11.829 21.724 1.00 50.92 O ATOM 585 CB PHE A 59 -0.563 11.177 19.056 1.00 43.36 C ATOM 586 CG PHE A 59 -1.191 11.360 17.711 1.00 40.39 C ATOM 587 CD1 PHE A 59 -0.418 11.424 16.569 1.00 40.45 C ATOM 588 CD2 PHE A 59 -2.558 11.489 17.598 1.00 39.47 C ATOM 589 CE1 PHE A 59 -1.009 11.618 15.331 1.00 40.48 C ATOM 590 CE2 PHE A 59 -3.150 11.632 16.354 1.00 40.27 C ATOM 591 CZ PHE A 59 -2.380 11.704 15.230 1.00 38.10 C ATOM 592 H PHE A 59 1.825 12.327 18.933 1.00 0.00 H ATOM 593 N PRO A 60 -1.144 12.535 21.994 1.00 53.97 N ATOM 594 CA PRO A 60 -1.198 12.154 23.402 1.00 58.22 C ATOM 595 C PRO A 60 -1.277 10.627 23.536 1.00 57.86 C ATOM 596 O PRO A 60 -1.909 9.998 22.705 1.00 59.54 O ATOM 597 CB PRO A 60 -2.470 12.862 23.896 1.00 58.71 C ATOM 598 CG PRO A 60 -3.348 12.906 22.661 1.00 56.92 C ATOM 599 CD PRO A 60 -2.372 13.214 21.542 1.00 54.17 C ATOM 600 N LYS A 61 -0.580 10.079 24.534 1.00 60.57 N ATOM 601 CA LYS A 61 -0.502 8.630 24.838 1.00 57.98 C ATOM 602 C LYS A 61 -0.293 7.886 23.526 1.00 53.58 C ATOM 603 O LYS A 61 -1.163 7.155 23.079 1.00 52.11 O ATOM 604 CB LYS A 61 -1.744 8.197 25.620 1.00 59.96 C ATOM 605 CG LYS A 61 -1.835 8.845 26.999 1.00 64.71 C ATOM 606 CD LYS A 61 -2.692 8.131 27.993 1.00 66.82 C ATOM 607 CE LYS A 61 -2.838 8.916 29.275 1.00 70.97 C ATOM 608 NZ LYS A 61 -3.897 8.348 30.136 1.00 75.41 N ATOM 609 HZ1 LYS A 61 -4.804 8.371 29.628 1.00 0.00 H ATOM 610 HZ2 LYS A 61 -3.657 7.365 30.375 1.00 0.00 H ATOM 611 HZ3 LYS A 61 -3.972 8.910 31.008 1.00 0.00 H ATOM 612 H LYS A 61 -0.046 10.724 25.151 1.00 0.00 H ATOM 613 N PRO A 62 0.863 8.098 22.866 1.00 49.90 N ATOM 614 CA PRO A 62 1.078 7.614 21.508 1.00 47.36 C ATOM 615 C PRO A 62 1.225 6.087 21.399 1.00 43.32 C ATOM 616 O PRO A 62 1.155 5.601 20.338 1.00 42.58 O ATOM 617 CB PRO A 62 2.364 8.316 21.053 1.00 46.93 C ATOM 618 CG PRO A 62 3.052 8.775 22.313 1.00 48.92 C ATOM 619 CD PRO A 62 1.968 8.951 23.344 1.00 52.44 C ATOM 620 N ARG A 63 1.499 5.409 22.503 1.00 42.43 N ATOM 621 CA ARG A 63 1.549 3.937 22.578 1.00 41.90 C ATOM 622 C ARG A 63 0.124 3.415 22.711 1.00 41.85 C ATOM 623 O ARG A 63 -0.425 3.459 23.816 1.00 43.16 O ATOM 624 CB ARG A 63 2.390 3.497 23.767 1.00 47.27 C ATOM 625 CG ARG A 63 2.575 1.995 23.871 1.00 48.67 C ATOM 626 CD ARG A 63 3.350 1.619 25.105 1.00 52.05 C ATOM 627 NE ARG A 63 3.681 0.214 25.073 1.00 53.90 N ATOM 628 CZ ARG A 63 3.035 -0.732 25.737 1.00 55.93 C ATOM 629 NH1 ARG A 63 2.058 -0.419 26.579 1.00 56.14 N ATOM 630 NH2 ARG A 63 3.415 -1.991 25.598 1.00 56.87 N ATOM 631 HE ARG A 63 4.487 -0.077 24.484 1.00 0.00 H ATOM 632 HH12 ARG A 63 1.557 -1.169 27.096 1.00 0.00 H ATOM 633 HH11 ARG A 63 1.794 0.577 26.722 1.00 0.00 H ATOM 634 HH22 ARG A 63 2.917 -2.744 26.113 1.00 0.00 H ATOM 635 HH21 ARG A 63 4.212 -2.228 24.973 1.00 0.00 H ATOM 636 H ARG A 63 1.691 5.948 23.371 1.00 0.00 H ATOM 637 N ARG A 64 -0.465 2.987 21.613 1.00 40.88 N ATOM 638 CA ARG A 64 -1.864 2.505 21.587 1.00 38.21 C ATOM 639 C ARG A 64 -1.834 0.990 21.549 1.00 37.94 C ATOM 640 O ARG A 64 -1.246 0.447 20.638 1.00 37.91 O ATOM 641 CB ARG A 64 -2.596 3.102 20.393 1.00 37.69 C ATOM 642 CG ARG A 64 -2.545 4.627 20.361 1.00 38.86 C ATOM 643 CD ARG A 64 -3.252 5.215 21.564 1.00 40.22 C ATOM 644 NE ARG A 64 -3.192 6.663 21.544 1.00 42.45 N ATOM 645 CZ ARG A 64 -3.976 7.438 20.818 1.00 41.95 C ATOM 646 NH1 ARG A 64 -3.794 8.747 20.826 1.00 44.44 N ATOM 647 NH2 ARG A 64 -4.929 6.909 20.080 1.00 42.06 N ATOM 648 HE ARG A 64 -2.480 7.125 22.145 1.00 0.00 H ATOM 649 HH12 ARG A 64 -4.410 9.361 20.255 1.00 0.00 H ATOM 650 HH11 ARG A 64 -3.035 9.163 21.403 1.00 0.00 H ATOM 651 HH22 ARG A 64 -5.545 7.522 19.509 1.00 0.00 H ATOM 652 HH21 ARG A 64 -5.066 5.878 20.068 1.00 0.00 H ATOM 653 H ARG A 64 0.077 2.988 20.725 1.00 0.00 H ATOM 654 N VAL A 65 -2.401 0.349 22.550 1.00 37.21 N ATOM 655 CA VAL A 65 -2.399 -1.120 22.659 1.00 37.89 C ATOM 656 C VAL A 65 -3.803 -1.605 22.331 1.00 38.13 C ATOM 657 O VAL A 65 -4.723 -1.096 22.898 1.00 38.36 O ATOM 658 CB VAL A 65 -1.934 -1.567 24.047 1.00 39.07 C ATOM 659 CG1 VAL A 65 -1.711 -3.069 24.106 1.00 40.11 C ATOM 660 CG2 VAL A 65 -0.674 -0.832 24.448 1.00 41.98 C ATOM 661 H VAL A 65 -2.870 0.903 23.295 1.00 0.00 H ATOM 662 N CYS A 66 -3.916 -2.593 21.469 1.00 37.29 N ATOM 663 CA CYS A 66 -5.139 -3.407 21.290 1.00 35.39 C ATOM 664 C CYS A 66 -4.850 -4.834 21.737 1.00 35.21 C ATOM 665 O CYS A 66 -3.993 -5.460 21.136 1.00 31.68 O ATOM 666 CB CYS A 66 -5.564 -3.367 19.838 1.00 34.66 C ATOM 667 SG CYS A 66 -5.989 -1.710 19.306 1.00 38.67 S ATOM 668 H CYS A 66 -3.092 -2.816 20.875 1.00 0.00 H ATOM 669 N LYS A 67 -5.516 -5.309 22.783 1.00 37.07 N ATOM 670 CA LYS A 67 -5.252 -6.660 23.347 1.00 40.05 C ATOM 671 C LYS A 67 -6.206 -7.662 22.708 1.00 39.30 C ATOM 672 O LYS A 67 -6.067 -8.877 22.962 1.00 41.31 O ATOM 673 CB LYS A 67 -5.383 -6.630 24.865 1.00 45.99 C ATOM 674 CG LYS A 67 -4.088 -6.307 25.588 1.00 51.77 C ATOM 675 CD LYS A 67 -4.305 -5.699 26.948 1.00 56.39 C ATOM 676 CE LYS A 67 -3.331 -4.572 27.224 1.00 60.06 C ATOM 677 NZ LYS A 67 -3.666 -3.853 28.468 1.00 64.60 N ATOM 678 HZ1 LYS A 67 -4.621 -3.449 28.387 1.00 0.00 H ATOM 679 HZ2 LYS A 67 -3.636 -4.516 29.269 1.00 0.00 H ATOM 680 HZ3 LYS A 67 -2.977 -3.090 28.622 1.00 0.00 H ATOM 681 H LYS A 67 -6.248 -4.716 23.223 1.00 0.00 H ATOM 682 N GLU A 68 -7.166 -7.174 21.930 1.00 37.24 N ATOM 683 CA GLU A 68 -8.146 -8.041 21.248 1.00 38.26 C ATOM 684 C GLU A 68 -8.635 -7.322 20.010 1.00 33.73 C ATOM 685 O GLU A 68 -8.480 -6.112 19.892 1.00 32.15 O ATOM 686 CB GLU A 68 -9.269 -8.454 22.210 1.00 42.41 C ATOM 687 CG GLU A 68 -10.235 -7.331 22.575 1.00 46.15 C ATOM 688 CD GLU A 68 -9.610 -6.221 23.413 1.00 53.52 C ATOM 689 OE1 GLU A 68 -9.076 -6.535 24.503 1.00 59.03 O ATOM 690 OE2 GLU A 68 -9.600 -5.041 22.946 1.00 60.74 O ATOM 691 H GLU A 68 -7.229 -6.144 21.797 1.00 0.00 H ATOM 692 N PRO A 69 -9.207 -8.049 19.041 1.00 33.10 N ATOM 693 CA PRO A 69 -9.762 -7.421 17.852 1.00 32.73 C ATOM 694 C PRO A 69 -10.903 -6.498 18.239 1.00 33.85 C ATOM 695 O PRO A 69 -11.629 -6.772 19.202 1.00 35.11 O ATOM 696 CB PRO A 69 -10.271 -8.559 16.972 1.00 34.07 C ATOM 697 CG PRO A 69 -9.758 -9.856 17.624 1.00 35.31 C ATOM 698 CD PRO A 69 -9.308 -9.506 19.027 1.00 33.67 C ATOM 699 N PRO A 70 -11.131 -5.404 17.502 1.00 33.60 N ATOM 700 CA PRO A 70 -10.311 -5.031 16.347 1.00 33.02 C ATOM 701 C PRO A 70 -8.952 -4.440 16.749 1.00 31.10 C ATOM 702 O PRO A 70 -8.884 -3.637 17.686 1.00 32.23 O ATOM 703 CB PRO A 70 -11.187 -3.959 15.665 1.00 33.24 C ATOM 704 CG PRO A 70 -11.861 -3.302 16.821 1.00 35.22 C ATOM 705 CD PRO A 70 -12.253 -4.478 17.712 1.00 35.38 C ATOM 706 N TYR A 71 -7.898 -4.845 16.065 1.00 29.11 N ATOM 707 CA TYR A 71 -6.567 -4.252 16.240 1.00 27.91 C ATOM 708 C TYR A 71 -6.506 -3.022 15.356 1.00 28.61 C ATOM 709 O TYR A 71 -6.201 -3.149 14.189 1.00 27.22 O ATOM 710 CB TYR A 71 -5.464 -5.241 15.907 1.00 27.91 C ATOM 711 CG TYR A 71 -5.559 -6.548 16.628 1.00 28.39 C ATOM 712 CD1 TYR A 71 -5.303 -6.646 17.988 1.00 28.50 C ATOM 713 CD2 TYR A 71 -5.933 -7.696 15.952 1.00 31.44 C ATOM 714 CE1 TYR A 71 -5.416 -7.847 18.654 1.00 30.63 C ATOM 715 CE2 TYR A 71 -6.038 -8.910 16.602 1.00 31.38 C ATOM 716 CZ TYR A 71 -5.796 -8.985 17.967 1.00 31.73 C ATOM 717 OH TYR A 71 -5.920 -10.190 18.609 1.00 31.20 O ATOM 718 HH TYR A 71 -5.715 -10.073 19.570 1.00 0.00 H ATOM 719 H TYR A 71 -8.015 -5.614 15.375 1.00 0.00 H ATOM 720 N LYS A 72 -6.865 -1.882 15.895 1.00 30.26 N ATOM 721 CA LYS A 72 -6.976 -0.677 15.076 1.00 31.61 C ATOM 722 C LYS A 72 -6.890 0.560 15.941 1.00 31.94 C ATOM 723 O LYS A 72 -7.199 0.484 17.159 1.00 32.03 O ATOM 724 CB LYS A 72 -8.280 -0.687 14.267 1.00 34.61 C ATOM 725 CG LYS A 72 -9.539 -0.450 15.078 1.00 37.83 C ATOM 726 CD LYS A 72 -10.765 -0.185 14.211 1.00 40.13 C ATOM 727 CE LYS A 72 -11.952 0.263 15.022 1.00 42.93 C ATOM 728 NZ LYS A 72 -13.203 0.110 14.237 1.00 43.54 N ATOM 729 HZ1 LYS A 72 -13.143 0.689 13.375 1.00 0.00 H ATOM 730 HZ2 LYS A 72 -13.328 -0.889 13.977 1.00 0.00 H ATOM 731 HZ3 LYS A 72 -14.012 0.423 14.811 1.00 0.00 H ATOM 732 H LYS A 72 -7.072 -1.835 16.913 1.00 0.00 H ATOM 733 N VAL A 73 -6.448 1.645 15.317 1.00 32.65 N ATOM 734 CA VAL A 73 -6.482 3.020 15.869 1.00 33.79 C ATOM 735 C VAL A 73 -7.189 3.890 14.850 1.00 33.60 C ATOM 736 O VAL A 73 -6.889 3.772 13.665 1.00 33.86 O ATOM 737 CB VAL A 73 -5.063 3.523 16.140 1.00 36.52 C ATOM 738 CG1 VAL A 73 -5.058 4.954 16.656 1.00 39.85 C ATOM 739 CG2 VAL A 73 -4.337 2.611 17.101 1.00 40.53 C ATOM 740 H VAL A 73 -6.046 1.520 14.366 1.00 0.00 H ATOM 741 N GLU A 74 -8.148 4.666 15.300 1.00 37.07 N ATOM 742 CA GLU A 74 -8.855 5.671 14.504 1.00 36.19 C ATOM 743 C GLU A 74 -8.525 7.042 15.080 1.00 36.78 C ATOM 744 O GLU A 74 -8.636 7.213 16.302 1.00 34.53 O ATOM 745 CB GLU A 74 -10.356 5.441 14.567 1.00 41.01 C ATOM 746 CG GLU A 74 -10.790 4.141 13.959 1.00 46.12 C ATOM 747 CD GLU A 74 -12.257 3.841 14.195 1.00 53.98 C ATOM 748 OE1 GLU A 74 -12.642 3.614 15.379 1.00 55.00 O ATOM 749 OE2 GLU A 74 -13.015 3.882 13.209 1.00 63.91 O ATOM 750 H GLU A 74 -8.426 4.559 16.296 1.00 0.00 H ATOM 751 N GLU A 75 -8.079 7.954 14.242 1.00 35.59 N ATOM 752 CA GLU A 75 -7.672 9.294 14.694 1.00 36.14 C ATOM 753 C GLU A 75 -8.073 10.302 13.645 1.00 35.03 C ATOM 754 O GLU A 75 -8.351 9.912 12.502 1.00 38.30 O ATOM 755 CB GLU A 75 -6.170 9.345 14.948 1.00 39.56 C ATOM 756 CG GLU A 75 -5.741 8.772 16.289 1.00 41.54 C ATOM 757 CD GLU A 75 -6.330 9.461 17.509 1.00 46.77 C ATOM 758 OE1 GLU A 75 -6.653 10.659 17.418 1.00 46.15 O ATOM 759 OE2 GLU A 75 -6.499 8.781 18.536 1.00 51.68 O ATOM 760 H GLU A 75 -8.012 7.721 13.231 1.00 0.00 H ATOM 761 N SER A 76 -8.039 11.554 14.031 1.00 37.52 N ATOM 762 CA SER A 76 -8.025 12.725 13.143 1.00 37.27 C ATOM 763 C SER A 76 -6.669 13.399 13.272 1.00 35.53 C ATOM 764 O SER A 76 -6.096 13.419 14.378 1.00 34.86 O ATOM 765 CB SER A 76 -9.161 13.634 13.465 1.00 40.26 C ATOM 766 OG SER A 76 -10.367 13.069 12.985 1.00 41.13 O ATOM 767 HG SER A 76 -10.307 12.950 12.004 1.00 0.00 H ATOM 768 H SER A 76 -8.020 11.735 15.055 1.00 0.00 H ATOM 769 N GLY A 77 -6.148 13.906 12.181 1.00 36.57 N ATOM 770 CA GLY A 77 -4.852 14.589 12.200 1.00 35.51 C ATOM 771 C GLY A 77 -4.628 15.396 10.947 1.00 37.87 C ATOM 772 O GLY A 77 -5.587 15.608 10.179 1.00 37.21 O ATOM 773 H GLY A 77 -6.666 13.822 11.283 1.00 0.00 H ATOM 774 N TYR A 78 -3.409 15.869 10.767 1.00 39.53 N ATOM 775 CA TYR A 78 -3.071 16.847 9.717 1.00 40.27 C ATOM 776 C TYR A 78 -1.822 16.395 8.966 1.00 39.89 C ATOM 777 O TYR A 78 -1.450 17.056 7.987 1.00 39.91 O ATOM 778 CB TYR A 78 -2.948 18.234 10.350 1.00 42.58 C ATOM 779 CG TYR A 78 -1.953 18.320 11.478 1.00 43.43 C ATOM 780 CD1 TYR A 78 -0.589 18.424 11.224 1.00 47.09 C ATOM 781 CD2 TYR A 78 -2.366 18.387 12.792 1.00 44.63 C ATOM 782 CE1 TYR A 78 0.334 18.557 12.251 1.00 47.92 C ATOM 783 CE2 TYR A 78 -1.457 18.481 13.834 1.00 47.13 C ATOM 784 CZ TYR A 78 -0.101 18.565 13.564 1.00 47.38 C ATOM 785 OH TYR A 78 0.807 18.677 14.580 1.00 48.04 O ATOM 786 HH TYR A 78 1.720 18.724 14.201 1.00 0.00 H ATOM 787 H TYR A 78 -2.651 15.536 11.396 1.00 0.00 H ATOM 788 N ALA A 79 -1.193 15.279 9.350 1.00 36.56 N ATOM 789 CA ALA A 79 0.001 14.805 8.618 1.00 36.64 C ATOM 790 C ALA A 79 0.203 13.318 8.831 1.00 35.69 C ATOM 791 O ALA A 79 -0.082 12.831 9.928 1.00 34.61 O ATOM 792 CB ALA A 79 1.246 15.582 9.015 1.00 37.12 C ATOM 793 H ALA A 79 -1.546 14.742 10.168 1.00 0.00 H ATOM 794 N GLY A 80 0.732 12.674 7.811 1.00 35.44 N ATOM 795 CA GLY A 80 1.182 11.280 7.854 1.00 36.28 C ATOM 796 C GLY A 80 2.472 11.170 8.616 1.00 36.74 C ATOM 797 O GLY A 80 3.105 12.219 8.905 1.00 37.31 O ATOM 798 H GLY A 80 0.837 13.190 6.914 1.00 0.00 H ATOM 799 N PHE A 81 2.869 9.963 8.932 1.00 34.25 N ATOM 800 CA PHE A 81 4.128 9.678 9.639 1.00 32.77 C ATOM 801 C PHE A 81 4.424 8.208 9.462 1.00 32.50 C ATOM 802 O PHE A 81 3.509 7.465 9.079 1.00 30.79 O ATOM 803 CB PHE A 81 4.019 10.062 11.118 1.00 33.23 C ATOM 804 CG PHE A 81 2.798 9.532 11.827 1.00 33.77 C ATOM 805 CD1 PHE A 81 1.613 10.243 11.810 1.00 34.18 C ATOM 806 CD2 PHE A 81 2.839 8.343 12.553 1.00 35.02 C ATOM 807 CE1 PHE A 81 0.499 9.788 12.494 1.00 33.23 C ATOM 808 CE2 PHE A 81 1.720 7.890 13.239 1.00 34.48 C ATOM 809 CZ PHE A 81 0.556 8.615 13.207 1.00 34.07 C ATOM 810 H PHE A 81 2.261 9.161 8.669 1.00 0.00 H ATOM 811 N ILE A 82 5.618 7.803 9.856 1.00 32.79 N ATOM 812 CA ILE A 82 6.032 6.387 9.934 1.00 34.28 C ATOM 813 C ILE A 82 5.612 5.872 11.297 1.00 32.70 C ATOM 814 O ILE A 82 5.931 6.513 12.292 1.00 34.50 O ATOM 815 CB ILE A 82 7.551 6.278 9.707 1.00 37.56 C ATOM 816 CG1 ILE A 82 7.949 6.850 8.358 1.00 39.50 C ATOM 817 CG2 ILE A 82 7.998 4.840 9.856 1.00 40.32 C ATOM 818 CD1 ILE A 82 7.289 6.153 7.191 1.00 41.07 C ATOM 819 H ILE A 82 6.312 8.528 10.129 1.00 0.00 H ATOM 820 N MET A 83 4.822 4.823 11.325 1.00 32.37 N ATOM 821 CA MET A 83 4.254 4.263 12.551 1.00 31.27 C ATOM 822 C MET A 83 4.857 2.880 12.772 1.00 33.52 C ATOM 823 O MET A 83 4.536 1.927 12.028 1.00 31.82 O ATOM 824 CB MET A 83 2.738 4.126 12.421 1.00 31.05 C ATOM 825 CG MET A 83 2.084 3.588 13.650 1.00 31.32 C ATOM 826 SD MET A 83 0.292 3.280 13.370 1.00 33.20 S ATOM 827 CE MET A 83 -0.314 4.925 13.012 1.00 33.52 C ATOM 828 H MET A 83 4.586 4.364 10.422 1.00 0.00 H ATOM 829 N PRO A 84 5.717 2.731 13.805 1.00 32.95 N ATOM 830 CA PRO A 84 6.079 1.420 14.304 1.00 32.74 C ATOM 831 C PRO A 84 4.819 0.683 14.736 1.00 30.99 C ATOM 832 O PRO A 84 4.017 1.244 15.472 1.00 32.73 O ATOM 833 CB PRO A 84 7.015 1.693 15.484 1.00 35.21 C ATOM 834 CG PRO A 84 7.584 3.093 15.168 1.00 37.33 C ATOM 835 CD PRO A 84 6.416 3.818 14.518 1.00 35.91 C ATOM 836 N ILE A 85 4.676 -0.552 14.287 1.00 30.70 N ATOM 837 CA ILE A 85 3.583 -1.443 14.735 1.00 30.35 C ATOM 838 C ILE A 85 4.207 -2.737 15.190 1.00 32.05 C ATOM 839 O ILE A 85 5.014 -3.281 14.452 1.00 36.43 O ATOM 840 CB ILE A 85 2.539 -1.675 13.637 1.00 31.24 C ATOM 841 CG1 ILE A 85 1.912 -0.387 13.137 1.00 30.84 C ATOM 842 CG2 ILE A 85 1.475 -2.663 14.106 1.00 31.23 C ATOM 843 CD1 ILE A 85 0.914 -0.616 12.023 1.00 32.35 C ATOM 844 H ILE A 85 5.359 -0.912 13.591 1.00 0.00 H ATOM 845 N GLU A 86 3.942 -3.121 16.421 1.00 30.48 N ATOM 846 CA GLU A 86 4.456 -4.366 17.001 1.00 33.03 C ATOM 847 C GLU A 86 3.318 -5.345 17.125 1.00 30.79 C ATOM 848 O GLU A 86 2.360 -5.021 17.812 1.00 34.06 O ATOM 849 CB GLU A 86 5.029 -4.122 18.405 1.00 36.44 C ATOM 850 CG GLU A 86 6.276 -3.311 18.454 1.00 42.15 C ATOM 851 CD GLU A 86 6.680 -2.972 19.896 1.00 45.94 C ATOM 852 OE1 GLU A 86 5.883 -3.230 20.838 1.00 50.84 O ATOM 853 OE2 GLU A 86 7.748 -2.438 20.063 1.00 53.17 O ATOM 854 H GLU A 86 3.339 -2.512 17.011 1.00 0.00 H ATOM 855 N VAL A 87 3.457 -6.537 16.560 1.00 30.80 N ATOM 856 CA VAL A 87 2.501 -7.629 16.786 1.00 30.76 C ATOM 857 C VAL A 87 3.137 -8.647 17.742 1.00 32.91 C ATOM 858 O VAL A 87 4.168 -9.267 17.372 1.00 32.14 O ATOM 859 CB VAL A 87 2.055 -8.246 15.465 1.00 30.44 C ATOM 860 CG1 VAL A 87 1.060 -9.364 15.703 1.00 32.19 C ATOM 861 CG2 VAL A 87 1.470 -7.173 14.542 1.00 31.20 C ATOM 862 H VAL A 87 4.271 -6.704 15.935 1.00 0.00 H ATOM 863 N HIS A 88 2.652 -8.688 18.970 1.00 32.82 N ATOM 864 CA HIS A 88 3.170 -9.573 20.041 1.00 34.07 C ATOM 865 C HIS A 88 2.492 -10.913 19.934 1.00 34.84 C ATOM 866 O HIS A 88 1.265 -10.941 19.722 1.00 34.86 O ATOM 867 CB HIS A 88 2.965 -8.927 21.394 1.00 36.34 C ATOM 868 CG HIS A 88 3.751 -7.683 21.554 1.00 37.74 C ATOM 869 ND1 HIS A 88 4.817 -7.604 22.422 1.00 39.47 N ATOM 870 CD2 HIS A 88 3.687 -6.495 20.922 1.00 38.33 C ATOM 871 CE1 HIS A 88 5.359 -6.403 22.357 1.00 39.90 C ATOM 872 NE2 HIS A 88 4.719 -5.711 21.406 1.00 39.49 N ATOM 873 H HIS A 88 1.856 -8.059 19.200 1.00 0.00 H ATOM 874 N PHE A 89 3.246 -11.986 20.105 1.00 33.56 N ATOM 875 CA PHE A 89 2.755 -13.358 19.938 1.00 34.98 C ATOM 876 C PHE A 89 2.531 -13.992 21.310 1.00 36.78 C ATOM 877 O PHE A 89 3.228 -13.668 22.273 1.00 39.55 O ATOM 878 CB PHE A 89 3.736 -14.188 19.115 1.00 35.04 C ATOM 879 CG PHE A 89 4.071 -13.630 17.770 1.00 34.28 C ATOM 880 CD1 PHE A 89 3.087 -13.121 16.934 1.00 34.71 C ATOM 881 CD2 PHE A 89 5.382 -13.598 17.341 1.00 35.01 C ATOM 882 CE1 PHE A 89 3.430 -12.598 15.696 1.00 33.36 C ATOM 883 CE2 PHE A 89 5.717 -13.071 16.108 1.00 35.06 C ATOM 884 CZ PHE A 89 4.742 -12.574 15.291 1.00 35.20 C ATOM 885 H PHE A 89 4.242 -11.849 20.373 1.00 0.00 H ATOM 886 N LYS A 90 1.580 -14.904 21.380 1.00 37.24 N ATOM 887 CA LYS A 90 1.341 -15.780 22.552 1.00 39.31 C ATOM 888 C LYS A 90 2.346 -16.938 22.495 1.00 39.90 C ATOM 889 O LYS A 90 1.917 -18.077 22.507 1.00 42.04 O ATOM 890 CB LYS A 90 -0.110 -16.268 22.534 1.00 39.63 C ATOM 891 CG LYS A 90 -1.139 -15.188 22.820 1.00 41.00 C ATOM 892 CD LYS A 90 -2.552 -15.697 22.749 1.00 42.51 C ATOM 893 CE LYS A 90 -3.562 -14.653 23.154 1.00 43.72 C ATOM 894 NZ LYS A 90 -4.900 -14.943 22.606 1.00 46.37 N ATOM 895 HZ1 LYS A 90 -4.851 -14.965 21.567 1.00 0.00 H ATOM 896 HZ2 LYS A 90 -5.225 -15.866 22.958 1.00 0.00 H ATOM 897 HZ3 LYS A 90 -5.565 -14.202 22.907 1.00 0.00 H ATOM 898 H LYS A 90 0.955 -15.016 20.556 1.00 0.00 H ATOM 899 N ASN A 91 3.617 -16.624 22.289 1.00 42.63 N ATOM 900 CA ASN A 91 4.719 -17.599 22.079 1.00 44.37 C ATOM 901 C ASN A 91 5.613 -17.540 23.316 1.00 47.41 C ATOM 902 O ASN A 91 6.003 -16.435 23.705 1.00 49.51 O ATOM 903 CB ASN A 91 5.483 -17.297 20.779 1.00 43.13 C ATOM 904 CG ASN A 91 6.485 -18.363 20.369 1.00 44.69 C ATOM 905 OD1 ASN A 91 6.528 -19.464 20.945 1.00 46.60 O ATOM 906 ND2 ASN A 91 7.245 -18.074 19.320 1.00 41.35 N ATOM 907 HD22 ASN A 91 7.176 -17.139 18.869 1.00 0.00 H ATOM 908 HD21 ASN A 91 7.910 -18.782 18.949 1.00 0.00 H ATOM 909 H ASN A 91 3.863 -15.614 22.273 1.00 0.00 H ATOM 910 N LYS A 92 5.982 -18.685 23.874 1.00 49.15 N ATOM 911 CA LYS A 92 6.843 -18.749 25.083 1.00 53.48 C ATOM 912 C LYS A 92 8.297 -18.468 24.685 1.00 51.57 C ATOM 913 O LYS A 92 9.090 -18.105 25.579 1.00 54.97 O ATOM 914 CB LYS A 92 6.708 -20.111 25.768 1.00 58.36 C ATOM 915 CG LYS A 92 5.289 -20.526 26.101 1.00 66.61 C ATOM 916 CD LYS A 92 4.670 -19.730 27.203 1.00 72.03 C ATOM 917 CE LYS A 92 3.280 -20.235 27.535 1.00 79.82 C ATOM 918 NZ LYS A 92 2.603 -19.380 28.538 1.00 84.49 N ATOM 919 HZ1 LYS A 92 3.162 -19.367 29.415 1.00 0.00 H ATOM 920 HZ2 LYS A 92 2.517 -18.413 28.166 1.00 0.00 H ATOM 921 HZ3 LYS A 92 1.656 -19.762 28.735 1.00 0.00 H ATOM 922 H LYS A 92 5.655 -19.575 23.447 1.00 0.00 H ATOM 923 N GLU A 93 8.640 -18.652 23.409 1.00 47.67 N ATOM 924 CA GLU A 93 10.046 -18.607 22.936 1.00 49.58 C ATOM 925 C GLU A 93 10.164 -17.641 21.748 1.00 47.09 C ATOM 926 O GLU A 93 9.123 -17.127 21.272 1.00 45.74 O ATOM 927 CB GLU A 93 10.519 -20.030 22.605 1.00 53.56 C ATOM 928 CG GLU A 93 9.947 -20.594 21.306 1.00 56.87 C ATOM 929 CD GLU A 93 10.631 -21.869 20.790 1.00 60.27 C ATOM 930 OE1 GLU A 93 11.268 -22.580 21.611 1.00 60.95 O ATOM 931 OE2 GLU A 93 10.489 -22.169 19.570 1.00 63.76 O ATOM 932 H GLU A 93 7.888 -18.835 22.714 1.00 0.00 H ATOM 933 N GLU A 94 11.361 -17.477 21.218 1.00 42.36 N ATOM 934 CA GLU A 94 11.601 -16.600 20.045 1.00 42.52 C ATOM 935 C GLU A 94 10.984 -17.213 18.790 1.00 43.54 C ATOM 936 O GLU A 94 10.957 -18.430 18.636 1.00 43.11 O ATOM 937 CB GLU A 94 13.080 -16.331 19.889 1.00 42.03 C ATOM 938 CG GLU A 94 13.621 -15.503 21.017 1.00 43.35 C ATOM 939 CD GLU A 94 15.029 -14.956 20.826 1.00 44.41 C ATOM 940 OE1 GLU A 94 15.740 -15.342 19.811 1.00 45.53 O ATOM 941 OE2 GLU A 94 15.455 -14.172 21.700 1.00 46.84 O ATOM 942 H GLU A 94 12.167 -17.982 21.638 1.00 0.00 H ATOM 943 N PRO A 95 10.407 -16.379 17.887 1.00 44.48 N ATOM 944 CA PRO A 95 10.237 -14.939 18.143 1.00 43.15 C ATOM 945 C PRO A 95 8.946 -14.566 18.919 1.00 38.77 C ATOM 946 O PRO A 95 7.952 -15.242 18.802 1.00 36.74 O ATOM 947 CB PRO A 95 10.229 -14.346 16.735 1.00 43.28 C ATOM 948 CG PRO A 95 9.604 -15.435 15.892 1.00 44.92 C ATOM 949 CD PRO A 95 10.047 -16.746 16.517 1.00 46.01 C ATOM 950 N ARG A 96 9.051 -13.564 19.784 1.00 36.86 N ATOM 951 CA ARG A 96 8.002 -13.144 20.750 1.00 39.08 C ATOM 952 C ARG A 96 7.114 -12.098 20.092 1.00 35.54 C ATOM 953 O ARG A 96 6.060 -11.845 20.605 1.00 35.90 O ATOM 954 CB ARG A 96 8.652 -12.544 21.997 1.00 44.01 C ATOM 955 CG ARG A 96 9.666 -13.471 22.661 1.00 49.05 C ATOM 956 CD ARG A 96 8.946 -14.603 23.368 1.00 53.83 C ATOM 957 NE ARG A 96 7.869 -14.058 24.160 1.00 57.75 N ATOM 958 CZ ARG A 96 8.008 -13.527 25.369 1.00 63.31 C ATOM 959 NH1 ARG A 96 6.951 -13.011 25.990 1.00 64.79 N ATOM 960 NH2 ARG A 96 9.194 -13.518 25.957 1.00 68.53 N ATOM 961 HE ARG A 96 6.912 -14.083 23.753 1.00 0.00 H ATOM 962 HH12 ARG A 96 7.056 -12.594 26.937 1.00 0.00 H ATOM 963 HH11 ARG A 96 6.019 -13.024 25.529 1.00 0.00 H ATOM 964 HH22 ARG A 96 9.302 -13.102 26.904 1.00 0.00 H ATOM 965 HH21 ARG A 96 10.018 -13.927 25.472 1.00 0.00 H ATOM 966 H ARG A 96 9.942 -13.028 19.786 1.00 0.00 H ATOM 967 N LYS A 97 7.624 -11.429 19.068 1.00 35.89 N ATOM 968 CA LYS A 97 6.913 -10.330 18.389 1.00 36.09 C ATOM 969 C LYS A 97 7.513 -10.148 17.013 1.00 36.93 C ATOM 970 O LYS A 97 8.618 -10.639 16.767 1.00 36.13 O ATOM 971 CB LYS A 97 6.971 -9.039 19.198 1.00 37.06 C ATOM 972 CG LYS A 97 8.337 -8.430 19.312 1.00 41.71 C ATOM 973 CD LYS A 97 8.368 -7.096 19.957 1.00 46.11 C ATOM 974 CE LYS A 97 9.793 -6.598 20.143 1.00 48.53 C ATOM 975 NZ LYS A 97 9.839 -5.570 21.195 1.00 53.43 N ATOM 976 HZ1 LYS A 97 9.231 -4.771 20.924 1.00 0.00 H ATOM 977 HZ2 LYS A 97 9.500 -5.977 22.090 1.00 0.00 H ATOM 978 HZ3 LYS A 97 10.818 -5.239 21.312 1.00 0.00 H ATOM 979 H LYS A 97 8.571 -11.692 18.727 1.00 0.00 H ATOM 980 N VAL A 98 6.809 -9.443 16.159 1.00 34.39 N ATOM 981 CA VAL A 98 7.356 -8.911 14.898 1.00 34.46 C ATOM 982 C VAL A 98 7.012 -7.429 14.854 1.00 35.32 C ATOM 983 O VAL A 98 5.916 -7.024 15.372 1.00 36.07 O ATOM 984 CB VAL A 98 6.812 -9.709 13.699 1.00 36.45 C ATOM 985 CG1 VAL A 98 5.287 -9.619 13.589 1.00 36.85 C ATOM 986 CG2 VAL A 98 7.479 -9.300 12.396 1.00 39.82 C ATOM 987 H VAL A 98 5.812 -9.249 16.384 1.00 0.00 H ATOM 988 N CYS A 99 7.899 -6.633 14.301 1.00 35.89 N ATOM 989 CA CYS A 99 7.755 -5.172 14.223 1.00 40.32 C ATOM 990 C CYS A 99 7.733 -4.757 12.775 1.00 39.76 C ATOM 991 O CYS A 99 8.492 -5.333 11.980 1.00 40.60 O ATOM 992 CB CYS A 99 8.864 -4.480 14.983 1.00 47.94 C ATOM 993 SG CYS A 99 9.044 -5.195 16.628 1.00 59.25 S ATOM 994 H CYS A 99 8.754 -7.062 13.894 1.00 0.00 H ATOM 995 N PHE A 100 6.769 -3.927 12.421 1.00 33.46 N ATOM 996 CA PHE A 100 6.649 -3.356 11.071 1.00 33.37 C ATOM 997 C PHE A 100 6.793 -1.846 11.223 1.00 32.71 C ATOM 998 O PHE A 100 6.528 -1.320 12.322 1.00 34.94 O ATOM 999 CB PHE A 100 5.310 -3.722 10.431 1.00 32.55 C ATOM 1000 CG PHE A 100 4.979 -5.185 10.426 1.00 32.61 C ATOM 1001 CD1 PHE A 100 5.481 -6.018 9.440 1.00 34.63 C ATOM 1002 CD2 PHE A 100 4.147 -5.727 11.393 1.00 32.28 C ATOM 1003 CE1 PHE A 100 5.174 -7.371 9.446 1.00 33.79 C ATOM 1004 CE2 PHE A 100 3.860 -7.078 11.402 1.00 33.03 C ATOM 1005 CZ PHE A 100 4.327 -7.880 10.397 1.00 34.65 C ATOM 1006 H PHE A 100 6.058 -3.664 13.133 1.00 0.00 H ATOM 1007 N THR A 101 7.383 -1.238 10.233 1.00 31.59 N ATOM 1008 CA THR A 101 7.451 0.202 10.028 1.00 35.01 C ATOM 1009 C THR A 101 6.366 0.550 9.034 1.00 32.09 C ATOM 1010 O THR A 101 6.516 0.182 7.867 1.00 31.82 O ATOM 1011 CB THR A 101 8.851 0.570 9.504 1.00 37.42 C ATOM 1012 OG1 THR A 101 9.767 -0.109 10.350 1.00 40.34 O ATOM 1013 CG2 THR A 101 9.136 2.034 9.525 1.00 39.31 C ATOM 1014 HG1 THR A 101 10.692 0.091 10.060 1.00 0.00 H ATOM 1015 H THR A 101 7.849 -1.838 9.522 1.00 0.00 H ATOM 1016 N TYR A 102 5.270 1.112 9.493 1.00 32.38 N ATOM 1017 CA TYR A 102 4.092 1.347 8.637 1.00 31.47 C ATOM 1018 C TYR A 102 4.082 2.808 8.178 1.00 31.18 C ATOM 1019 O TYR A 102 4.226 3.726 8.979 1.00 32.15 O ATOM 1020 CB TYR A 102 2.798 0.913 9.325 1.00 30.60 C ATOM 1021 CG TYR A 102 1.658 0.873 8.355 1.00 30.23 C ATOM 1022 CD1 TYR A 102 1.426 -0.242 7.555 1.00 32.35 C ATOM 1023 CD2 TYR A 102 0.879 1.992 8.148 1.00 31.12 C ATOM 1024 CE1 TYR A 102 0.461 -0.229 6.556 1.00 29.94 C ATOM 1025 CE2 TYR A 102 -0.116 2.007 7.194 1.00 30.59 C ATOM 1026 CZ TYR A 102 -0.311 0.906 6.375 1.00 28.54 C ATOM 1027 OH TYR A 102 -1.295 0.957 5.425 1.00 30.28 O ATOM 1028 HH TYR A 102 -1.112 1.704 4.802 1.00 0.00 H ATOM 1029 H TYR A 102 5.232 1.400 10.492 1.00 0.00 H ATOM 1030 N ASP A 103 3.966 3.002 6.883 1.00 31.43 N ATOM 1031 CA ASP A 103 3.881 4.342 6.283 1.00 34.32 C ATOM 1032 C ASP A 103 2.410 4.776 6.306 1.00 33.26 C ATOM 1033 O ASP A 103 1.660 4.422 5.365 1.00 32.41 O ATOM 1034 CB ASP A 103 4.500 4.295 4.905 1.00 37.26 C ATOM 1035 CG ASP A 103 4.404 5.595 4.159 1.00 41.76 C ATOM 1036 OD1 ASP A 103 3.982 6.603 4.780 1.00 42.39 O ATOM 1037 OD2 ASP A 103 4.767 5.583 2.951 1.00 47.90 O ATOM 1038 H ASP A 103 3.933 2.173 6.256 1.00 0.00 H ATOM 1039 N LEU A 104 2.029 5.561 7.301 1.00 32.90 N ATOM 1040 CA LEU A 104 0.664 6.143 7.382 1.00 34.92 C ATOM 1041 C LEU A 104 0.632 7.446 6.589 1.00 33.94 C ATOM 1042 O LEU A 104 0.919 8.485 7.158 1.00 34.45 O ATOM 1043 CB LEU A 104 0.279 6.388 8.831 1.00 35.62 C ATOM 1044 CG LEU A 104 -1.199 6.727 9.032 1.00 39.17 C ATOM 1045 CD1 LEU A 104 -2.008 5.448 9.174 1.00 42.74 C ATOM 1046 CD2 LEU A 104 -1.390 7.596 10.241 1.00 42.58 C ATOM 1047 H LEU A 104 2.711 5.779 8.055 1.00 0.00 H ATOM 1048 N PHE A 105 0.282 7.389 5.318 1.00 33.83 N ATOM 1049 CA PHE A 105 0.240 8.601 4.474 1.00 35.39 C ATOM 1050 C PHE A 105 -1.210 9.008 4.257 1.00 35.85 C ATOM 1051 O PHE A 105 -2.114 8.150 4.222 1.00 34.40 O ATOM 1052 CB PHE A 105 0.976 8.398 3.154 1.00 37.98 C ATOM 1053 CG PHE A 105 0.427 7.286 2.318 1.00 37.84 C ATOM 1054 CD1 PHE A 105 -0.580 7.515 1.410 1.00 39.22 C ATOM 1055 CD2 PHE A 105 0.926 6.013 2.445 1.00 39.31 C ATOM 1056 CE1 PHE A 105 -1.071 6.485 0.627 1.00 40.68 C ATOM 1057 CE2 PHE A 105 0.437 4.978 1.667 1.00 41.92 C ATOM 1058 CZ PHE A 105 -0.568 5.216 0.765 1.00 42.12 C ATOM 1059 H PHE A 105 0.030 6.470 4.901 1.00 0.00 H ATOM 1060 N LEU A 106 -1.410 10.300 4.087 1.00 35.71 N ATOM 1061 CA LEU A 106 -2.739 10.902 3.893 1.00 36.30 C ATOM 1062 C LEU A 106 -2.874 11.312 2.433 1.00 38.84 C ATOM 1063 O LEU A 106 -1.846 11.394 1.761 1.00 39.43 O ATOM 1064 CB LEU A 106 -2.859 12.098 4.830 1.00 36.69 C ATOM 1065 CG LEU A 106 -2.608 11.808 6.302 1.00 35.58 C ATOM 1066 CD1 LEU A 106 -2.813 13.080 7.123 1.00 38.90 C ATOM 1067 CD2 LEU A 106 -3.522 10.688 6.805 1.00 36.31 C ATOM 1068 H LEU A 106 -0.582 10.929 4.090 1.00 0.00 H ATOM 1069 N ASN A 107 -4.093 11.561 1.967 1.00 38.19 N ATOM 1070 CA ASN A 107 -4.345 12.007 0.577 1.00 42.17 C ATOM 1071 C ASN A 107 -4.247 13.542 0.568 1.00 42.55 C ATOM 1072 O ASN A 107 -4.926 14.174 1.372 1.00 42.09 O ATOM 1073 CB ASN A 107 -5.676 11.485 0.032 1.00 40.54 C ATOM 1074 CG ASN A 107 -6.849 11.818 0.920 1.00 41.87 C ATOM 1075 OD1 ASN A 107 -6.779 11.659 2.133 1.00 38.84 O ATOM 1076 ND2 ASN A 107 -7.947 12.275 0.326 1.00 45.57 N ATOM 1077 HD22 ASN A 107 -7.967 12.396 -0.707 1.00 0.00 H ATOM 1078 HD21 ASN A 107 -8.786 12.511 0.894 1.00 0.00 H ATOM 1079 H ASN A 107 -4.905 11.438 2.605 1.00 0.00 H ATOM 1080 N LEU A 108 -3.335 14.101 -0.199 1.00 48.82 N ATOM 1081 CA LEU A 108 -3.192 15.572 -0.291 1.00 56.11 C ATOM 1082 C LEU A 108 -4.401 16.110 -1.052 1.00 60.43 C ATOM 1083 O LEU A 108 -5.084 15.325 -1.724 1.00 58.95 O ATOM 1084 CB LEU A 108 -1.866 15.935 -0.959 1.00 64.25 C ATOM 1085 CG LEU A 108 -1.684 15.441 -2.390 1.00 69.02 C ATOM 1086 CD1 LEU A 108 -2.412 16.353 -3.368 1.00 73.61 C ATOM 1087 CD2 LEU A 108 -0.206 15.339 -2.749 1.00 69.83 C ATOM 1088 H LEU A 108 -2.699 13.494 -0.754 1.00 0.00 H ATOM 1089 N GLU A 109 -4.730 17.380 -0.855 1.00 65.12 N ATOM 1090 CA GLU A 109 -6.057 17.930 -1.219 1.00 64.33 C ATOM 1091 C GLU A 109 -6.361 17.574 -2.680 1.00 61.46 C ATOM 1092 O GLU A 109 -5.409 17.556 -3.529 1.00 57.18 O ATOM 1093 CB GLU A 109 -6.106 19.439 -0.977 1.00 70.25 C ATOM 1094 CG GLU A 109 -7.514 20.000 -1.014 1.00 73.40 C ATOM 1095 CD GLU A 109 -7.601 21.497 -0.807 1.00 78.15 C ATOM 1096 OE1 GLU A 109 -6.537 22.156 -0.807 1.00 82.74 O ATOM 1097 OE2 GLU A 109 -8.731 22.002 -0.644 1.00 81.14 O ATOM 1098 H GLU A 109 -4.027 18.016 -0.427 1.00 0.00 H ATOM 1099 N GLY A 110 -7.622 17.248 -2.954 1.00 59.57 N ATOM 1100 CA GLY A 110 -8.110 16.881 -4.295 1.00 61.78 C ATOM 1101 C GLY A 110 -8.064 15.383 -4.527 1.00 60.65 C ATOM 1102 O GLY A 110 -8.915 14.889 -5.278 1.00 68.78 O ATOM 1103 H GLY A 110 -8.307 17.253 -2.171 1.00 0.00 H ATOM 1104 N ASN A 111 -7.085 14.680 -3.956 1.00 56.78 N ATOM 1105 CA ASN A 111 -6.825 13.255 -4.302 1.00 54.30 C ATOM 1106 C ASN A 111 -7.866 12.389 -3.611 1.00 50.83 C ATOM 1107 O ASN A 111 -8.330 12.722 -2.527 1.00 47.36 O ATOM 1108 CB ASN A 111 -5.402 12.815 -3.959 1.00 55.02 C ATOM 1109 CG ASN A 111 -4.392 13.247 -5.006 1.00 58.74 C ATOM 1110 OD1 ASN A 111 -4.743 13.890 -5.983 1.00 60.74 O ATOM 1111 ND2 ASN A 111 -3.136 12.892 -4.811 1.00 60.07 N ATOM 1112 HD22 ASN A 111 -2.876 12.344 -3.966 1.00 0.00 H ATOM 1113 HD21 ASN A 111 -2.407 13.160 -5.502 1.00 0.00 H ATOM 1114 H ASN A 111 -6.483 15.142 -3.245 1.00 0.00 H ATOM 1115 N PRO A 112 -8.273 11.258 -4.219 1.00 48.50 N ATOM 1116 CA PRO A 112 -9.269 10.394 -3.607 1.00 49.89 C ATOM 1117 C PRO A 112 -8.803 9.898 -2.236 1.00 47.17 C ATOM 1118 O PRO A 112 -7.610 9.969 -1.890 1.00 44.11 O ATOM 1119 CB PRO A 112 -9.421 9.216 -4.596 1.00 49.41 C ATOM 1120 CG PRO A 112 -8.859 9.726 -5.912 1.00 51.56 C ATOM 1121 CD PRO A 112 -7.835 10.781 -5.538 1.00 50.56 C ATOM 1122 N PRO A 113 -9.724 9.364 -1.428 1.00 45.46 N ATOM 1123 CA PRO A 113 -9.363 8.783 -0.144 1.00 41.51 C ATOM 1124 C PRO A 113 -8.333 7.648 -0.316 1.00 37.64 C ATOM 1125 O PRO A 113 -8.186 7.113 -1.396 1.00 38.82 O ATOM 1126 CB PRO A 113 -10.688 8.236 0.404 1.00 45.34 C ATOM 1127 CG PRO A 113 -11.744 9.020 -0.362 1.00 48.37 C ATOM 1128 CD PRO A 113 -11.150 9.237 -1.737 1.00 48.79 C ATOM 1129 N VAL A 114 -7.556 7.417 0.713 1.00 35.67 N ATOM 1130 CA VAL A 114 -6.526 6.336 0.764 1.00 36.97 C ATOM 1131 C VAL A 114 -7.207 5.075 1.292 1.00 33.76 C ATOM 1132 O VAL A 114 -7.884 5.167 2.302 1.00 33.70 O ATOM 1133 CB VAL A 114 -5.350 6.730 1.672 1.00 40.09 C ATOM 1134 CG1 VAL A 114 -4.393 5.565 1.862 1.00 43.73 C ATOM 1135 CG2 VAL A 114 -4.624 7.948 1.163 1.00 42.89 C ATOM 1136 H VAL A 114 -7.663 8.026 1.549 1.00 0.00 H ATOM 1137 N ASN A 115 -6.917 3.923 0.714 1.00 36.65 N ATOM 1138 CA ASN A 115 -7.435 2.624 1.217 1.00 35.02 C ATOM 1139 C ASN A 115 -6.396 1.578 0.857 1.00 33.67 C ATOM 1140 O ASN A 115 -6.430 1.106 -0.282 1.00 34.27 O ATOM 1141 CB ASN A 115 -8.834 2.305 0.667 1.00 35.08 C ATOM 1142 CG ASN A 115 -9.490 1.101 1.304 1.00 39.35 C ATOM 1143 OD1 ASN A 115 -8.930 0.480 2.206 1.00 39.01 O ATOM 1144 ND2 ASN A 115 -10.663 0.727 0.800 1.00 40.98 N ATOM 1145 HD22 ASN A 115 -11.102 1.281 0.037 1.00 0.00 H ATOM 1146 HD21 ASN A 115 -11.141 -0.120 1.169 1.00 0.00 H ATOM 1147 H ASN A 115 -6.303 3.925 -0.125 1.00 0.00 H ATOM 1148 N HIS A 116 -5.413 1.400 1.737 1.00 33.60 N ATOM 1149 CA HIS A 116 -4.184 0.624 1.471 1.00 34.46 C ATOM 1150 C HIS A 116 -4.141 -0.619 2.331 1.00 31.32 C ATOM 1151 O HIS A 116 -4.596 -0.585 3.509 1.00 30.83 O ATOM 1152 CB HIS A 116 -2.914 1.447 1.686 1.00 39.29 C ATOM 1153 CG HIS A 116 -2.475 2.105 0.439 1.00 44.31 C ATOM 1154 ND1 HIS A 116 -1.448 1.612 -0.308 1.00 45.63 N ATOM 1155 CD2 HIS A 116 -3.044 3.138 -0.272 1.00 47.13 C ATOM 1156 CE1 HIS A 116 -1.293 2.378 -1.390 1.00 49.36 C ATOM 1157 NE2 HIS A 116 -2.289 3.331 -1.392 1.00 49.75 N ATOM 1158 H HIS A 116 -5.517 1.837 2.675 1.00 0.00 H ATOM 1159 N LEU A 117 -3.582 -1.653 1.764 1.00 31.45 N ATOM 1160 CA LEU A 117 -3.393 -2.939 2.450 1.00 31.69 C ATOM 1161 C LEU A 117 -1.963 -3.395 2.214 1.00 32.45 C ATOM 1162 O LEU A 117 -1.500 -3.338 1.079 1.00 32.74 O ATOM 1163 CB LEU A 117 -4.379 -3.962 1.920 1.00 33.70 C ATOM 1164 CG LEU A 117 -4.552 -5.196 2.807 1.00 34.90 C ATOM 1165 CD1 LEU A 117 -5.326 -4.844 4.085 1.00 35.43 C ATOM 1166 CD2 LEU A 117 -5.240 -6.289 2.047 1.00 38.99 C ATOM 1167 H LEU A 117 -3.255 -1.563 0.781 1.00 0.00 H ATOM 1168 N ARG A 118 -1.355 -3.928 3.250 1.00 31.29 N ATOM 1169 CA ARG A 118 -0.005 -4.510 3.203 1.00 32.12 C ATOM 1170 C ARG A 118 -0.108 -5.931 3.743 1.00 30.94 C ATOM 1171 O ARG A 118 -0.463 -6.083 4.915 1.00 33.59 O ATOM 1172 CB ARG A 118 0.894 -3.573 4.002 1.00 34.65 C ATOM 1173 CG ARG A 118 2.254 -4.116 4.345 1.00 35.28 C ATOM 1174 CD ARG A 118 3.054 -3.026 5.026 1.00 34.28 C ATOM 1175 NE ARG A 118 4.224 -3.625 5.590 1.00 34.82 N ATOM 1176 CZ ARG A 118 5.161 -2.983 6.248 1.00 34.56 C ATOM 1177 NH1 ARG A 118 5.058 -1.683 6.457 1.00 33.65 N ATOM 1178 NH2 ARG A 118 6.206 -3.664 6.707 1.00 36.67 N ATOM 1179 HE ARG A 118 4.342 -4.651 5.469 1.00 0.00 H ATOM 1180 HH12 ARG A 118 5.803 -1.180 6.979 1.00 0.00 H ATOM 1181 HH11 ARG A 118 4.231 -1.163 6.100 1.00 0.00 H ATOM 1182 HH22 ARG A 118 6.958 -3.172 7.231 1.00 0.00 H ATOM 1183 HH21 ARG A 118 6.272 -4.689 6.543 1.00 0.00 H ATOM 1184 H ARG A 118 -1.860 -3.939 4.159 1.00 0.00 H ATOM 1185 N CYS A 119 0.105 -6.907 2.905 1.00 31.03 N ATOM 1186 CA CYS A 119 0.007 -8.339 3.259 1.00 33.72 C ATOM 1187 C CYS A 119 1.385 -8.833 3.695 1.00 34.09 C ATOM 1188 O CYS A 119 2.356 -8.540 2.997 1.00 35.16 O ATOM 1189 CB CYS A 119 -0.538 -9.127 2.096 1.00 37.33 C ATOM 1190 SG CYS A 119 -2.194 -8.560 1.620 1.00 45.51 S ATOM 1191 H CYS A 119 0.360 -6.663 1.927 1.00 0.00 H ATOM 1192 N GLU A 120 1.458 -9.405 4.884 1.00 34.71 N ATOM 1193 CA GLU A 120 2.709 -9.945 5.475 1.00 34.77 C ATOM 1194 C GLU A 120 2.509 -11.434 5.693 1.00 35.53 C ATOM 1195 O GLU A 120 1.477 -11.834 6.286 1.00 37.27 O ATOM 1196 CB GLU A 120 3.047 -9.221 6.773 1.00 35.20 C ATOM 1197 CG GLU A 120 3.356 -7.743 6.586 1.00 36.92 C ATOM 1198 CD GLU A 120 4.660 -7.431 5.854 1.00 39.22 C ATOM 1199 OE1 GLU A 120 5.543 -8.273 5.856 1.00 37.29 O ATOM 1200 OE2 GLU A 120 4.804 -6.296 5.359 1.00 40.44 O ATOM 1201 H GLU A 120 0.583 -9.482 5.442 1.00 0.00 H ATOM 1202 N LYS A 121 3.428 -12.241 5.220 1.00 37.39 N ATOM 1203 CA LYS A 121 3.411 -13.680 5.524 1.00 39.19 C ATOM 1204 C LYS A 121 4.490 -13.945 6.571 1.00 40.33 C ATOM 1205 O LYS A 121 5.632 -13.435 6.413 1.00 41.53 O ATOM 1206 CB LYS A 121 3.550 -14.465 4.220 1.00 45.89 C ATOM 1207 CG LYS A 121 3.632 -15.982 4.380 1.00 50.09 C ATOM 1208 CD LYS A 121 3.507 -16.735 3.068 1.00 56.42 C ATOM 1209 CE LYS A 121 4.169 -16.023 1.901 1.00 58.90 C ATOM 1210 NZ LYS A 121 3.850 -16.682 0.614 1.00 66.51 N ATOM 1211 HZ1 LYS A 121 4.188 -17.665 0.636 1.00 0.00 H ATOM 1212 HZ2 LYS A 121 2.821 -16.672 0.466 1.00 0.00 H ATOM 1213 HZ3 LYS A 121 4.318 -16.170 -0.161 1.00 0.00 H ATOM 1214 H LYS A 121 4.184 -11.856 4.618 1.00 0.00 H ATOM 1215 N LEU A 122 4.103 -14.499 7.698 1.00 35.02 N ATOM 1216 CA LEU A 122 5.038 -14.830 8.778 1.00 34.60 C ATOM 1217 C LEU A 122 5.348 -16.313 8.672 1.00 36.99 C ATOM 1218 O LEU A 122 4.396 -17.114 8.537 1.00 33.91 O ATOM 1219 CB LEU A 122 4.411 -14.509 10.125 1.00 34.97 C ATOM 1220 CG LEU A 122 3.988 -13.054 10.336 1.00 34.30 C ATOM 1221 CD1 LEU A 122 3.414 -12.878 11.734 1.00 35.55 C ATOM 1222 CD2 LEU A 122 5.156 -12.114 10.111 1.00 37.00 C ATOM 1223 H LEU A 122 3.093 -14.711 7.829 1.00 0.00 H ATOM 1224 N THR A 123 6.611 -16.660 8.677 1.00 37.91 N ATOM 1225 CA THR A 123 7.058 -18.076 8.687 1.00 40.86 C ATOM 1226 C THR A 123 7.630 -18.382 10.062 1.00 39.77 C ATOM 1227 O THR A 123 8.647 -17.771 10.411 1.00 40.76 O ATOM 1228 CB THR A 123 8.040 -18.321 7.543 1.00 45.08 C ATOM 1229 OG1 THR A 123 7.334 -18.021 6.341 1.00 45.02 O ATOM 1230 CG2 THR A 123 8.561 -19.742 7.509 1.00 47.37 C ATOM 1231 HG1 THR A 123 7.931 -18.165 5.564 1.00 0.00 H ATOM 1232 H THR A 123 7.332 -15.911 8.674 1.00 0.00 H ATOM 1233 N PHE A 124 6.981 -19.257 10.830 1.00 38.28 N ATOM 1234 CA PHE A 124 7.542 -19.780 12.097 1.00 38.96 C ATOM 1235 C PHE A 124 8.214 -21.116 11.838 1.00 40.81 C ATOM 1236 O PHE A 124 7.514 -22.063 11.466 1.00 41.97 O ATOM 1237 CB PHE A 124 6.463 -19.899 13.158 1.00 39.51 C ATOM 1238 CG PHE A 124 5.880 -18.575 13.537 1.00 38.23 C ATOM 1239 CD1 PHE A 124 6.477 -17.815 14.522 1.00 37.93 C ATOM 1240 CD2 PHE A 124 4.801 -18.040 12.836 1.00 37.91 C ATOM 1241 CE1 PHE A 124 5.970 -16.576 14.865 1.00 36.40 C ATOM 1242 CE2 PHE A 124 4.296 -16.800 13.185 1.00 35.79 C ATOM 1243 CZ PHE A 124 4.876 -16.078 14.197 1.00 38.55 C ATOM 1244 H PHE A 124 6.042 -19.586 10.527 1.00 0.00 H ATOM 1245 N ASN A 125 9.523 -21.189 12.075 1.00 41.37 N ATOM 1246 CA ASN A 125 10.300 -22.449 11.979 1.00 44.16 C ATOM 1247 C ASN A 125 10.262 -23.180 13.309 1.00 43.37 C ATOM 1248 O ASN A 125 10.549 -22.558 14.360 1.00 42.17 O ATOM 1249 CB ASN A 125 11.710 -22.189 11.495 1.00 46.57 C ATOM 1250 CG ASN A 125 11.675 -21.728 10.063 1.00 48.86 C ATOM 1251 OD1 ASN A 125 10.928 -22.275 9.265 1.00 53.07 O ATOM 1252 ND2 ASN A 125 12.427 -20.711 9.746 1.00 48.07 N ATOM 1253 HD22 ASN A 125 13.047 -20.279 10.461 1.00 0.00 H ATOM 1254 HD21 ASN A 125 12.407 -20.331 8.778 1.00 0.00 H ATOM 1255 H ASN A 125 10.026 -20.318 12.341 1.00 0.00 H ATOM 1256 N ASN A 126 9.897 -24.472 13.240 1.00 45.97 N ATOM 1257 CA ASN A 126 9.839 -25.394 14.394 1.00 47.51 C ATOM 1258 C ASN A 126 9.290 -24.655 15.600 1.00 45.56 C ATOM 1259 O ASN A 126 9.944 -24.563 16.625 1.00 45.54 O ATOM 1260 CB ASN A 126 11.207 -26.021 14.711 1.00 51.73 C ATOM 1261 CG ASN A 126 11.959 -26.488 13.487 1.00 56.10 C ATOM 1262 OD1 ASN A 126 11.484 -27.343 12.748 1.00 60.69 O ATOM 1263 ND2 ASN A 126 13.167 -25.992 13.312 1.00 61.67 N ATOM 1264 HD22 ASN A 126 13.531 -25.267 13.963 1.00 0.00 H ATOM 1265 HD21 ASN A 126 13.757 -26.325 12.523 1.00 0.00 H ATOM 1266 H ASN A 126 9.637 -24.850 12.307 1.00 0.00 H ATOM 1267 N PRO A 127 8.054 -24.117 15.540 1.00 44.14 N ATOM 1268 CA PRO A 127 7.396 -23.599 16.739 1.00 45.17 C ATOM 1269 C PRO A 127 7.194 -24.674 17.832 1.00 48.45 C ATOM 1270 O PRO A 127 7.072 -25.868 17.504 1.00 51.99 O ATOM 1271 CB PRO A 127 6.010 -23.138 16.212 1.00 44.25 C ATOM 1272 CG PRO A 127 5.826 -23.954 14.950 1.00 44.10 C ATOM 1273 CD PRO A 127 7.214 -24.040 14.349 1.00 44.72 C ATOM 1274 N THR A 128 7.154 -24.255 19.093 1.00 49.23 N ATOM 1275 CA THR A 128 6.782 -25.134 20.233 1.00 51.23 C ATOM 1276 C THR A 128 5.427 -25.792 19.952 1.00 53.56 C ATOM 1277 O THR A 128 4.679 -25.322 19.042 1.00 50.19 O ATOM 1278 CB THR A 128 6.675 -24.380 21.561 1.00 52.94 C ATOM 1279 OG1 THR A 128 5.531 -23.512 21.460 1.00 52.98 O ATOM 1280 CG2 THR A 128 7.930 -23.614 21.912 1.00 52.72 C ATOM 1281 HG1 THR A 128 5.428 -23.005 22.304 1.00 0.00 H ATOM 1282 H THR A 128 7.395 -23.263 19.292 1.00 0.00 H ATOM 1283 N THR A 129 5.068 -26.798 20.746 1.00 53.26 N ATOM 1284 CA THR A 129 3.776 -27.498 20.615 1.00 53.70 C ATOM 1285 C THR A 129 2.636 -26.520 20.916 1.00 50.34 C ATOM 1286 O THR A 129 1.706 -26.482 20.140 1.00 49.03 O ATOM 1287 CB THR A 129 3.734 -28.743 21.505 1.00 58.95 C ATOM 1288 OG1 THR A 129 3.525 -28.327 22.855 1.00 67.08 O ATOM 1289 CG2 THR A 129 4.995 -29.559 21.405 1.00 54.75 C ATOM 1290 HG1 THR A 129 4.267 -27.735 23.135 1.00 0.00 H ATOM 1291 H THR A 129 5.726 -27.104 21.491 1.00 0.00 H ATOM 1292 N GLU A 130 2.731 -25.775 22.016 1.00 50.39 N ATOM 1293 CA GLU A 130 1.683 -24.832 22.470 1.00 52.37 C ATOM 1294 C GLU A 130 1.469 -23.782 21.383 1.00 48.50 C ATOM 1295 O GLU A 130 0.330 -23.557 20.987 1.00 45.81 O ATOM 1296 CB GLU A 130 2.084 -24.163 23.787 1.00 60.29 C ATOM 1297 CG GLU A 130 1.545 -24.873 25.017 1.00 68.91 C ATOM 1298 CD GLU A 130 0.023 -24.974 25.065 1.00 75.32 C ATOM 1299 OE1 GLU A 130 -0.662 -23.986 24.662 1.00 82.48 O ATOM 1300 OE2 GLU A 130 -0.483 -26.044 25.476 1.00 81.85 O ATOM 1301 H GLU A 130 3.593 -25.861 22.591 1.00 0.00 H ATOM 1302 N PHE A 131 2.541 -23.152 20.921 1.00 44.53 N ATOM 1303 CA PHE A 131 2.432 -22.037 19.956 1.00 43.99 C ATOM 1304 C PHE A 131 1.998 -22.549 18.583 1.00 42.80 C ATOM 1305 O PHE A 131 1.156 -21.910 17.943 1.00 40.44 O ATOM 1306 CB PHE A 131 3.733 -21.278 19.845 1.00 42.61 C ATOM 1307 CG PHE A 131 3.554 -20.003 19.088 1.00 40.01 C ATOM 1308 CD1 PHE A 131 2.608 -19.081 19.495 1.00 39.61 C ATOM 1309 CD2 PHE A 131 4.275 -19.759 17.935 1.00 39.28 C ATOM 1310 CE1 PHE A 131 2.403 -17.923 18.761 1.00 38.82 C ATOM 1311 CE2 PHE A 131 4.106 -18.574 17.239 1.00 37.06 C ATOM 1312 CZ PHE A 131 3.171 -17.664 17.655 1.00 37.37 C ATOM 1313 H PHE A 131 3.483 -23.450 21.246 1.00 0.00 H ATOM 1314 N ARG A 132 2.510 -23.703 18.165 1.00 43.88 N ATOM 1315 CA ARG A 132 2.052 -24.344 16.909 1.00 47.33 C ATOM 1316 C ARG A 132 0.521 -24.548 16.976 1.00 46.40 C ATOM 1317 O ARG A 132 -0.124 -24.276 15.968 1.00 44.02 O ATOM 1318 CB ARG A 132 2.744 -25.679 16.651 1.00 51.83 C ATOM 1319 CG ARG A 132 2.304 -26.359 15.359 1.00 53.51 C ATOM 1320 CD ARG A 132 2.916 -27.742 15.231 1.00 61.48 C ATOM 1321 NE ARG A 132 2.750 -28.455 16.485 1.00 65.71 N ATOM 1322 CZ ARG A 132 3.534 -29.428 16.908 1.00 70.60 C ATOM 1323 NH1 ARG A 132 3.301 -29.996 18.081 1.00 72.67 N ATOM 1324 NH2 ARG A 132 4.554 -29.827 16.167 1.00 74.39 N ATOM 1325 HE ARG A 132 1.954 -28.178 17.095 1.00 0.00 H ATOM 1326 HH12 ARG A 132 3.916 -30.763 18.419 1.00 0.00 H ATOM 1327 HH11 ARG A 132 2.503 -29.675 18.665 1.00 0.00 H ATOM 1328 HH22 ARG A 132 5.171 -30.594 16.502 1.00 0.00 H ATOM 1329 HH21 ARG A 132 4.739 -29.374 15.249 1.00 0.00 H ATOM 1330 H ARG A 132 3.248 -24.166 18.732 1.00 0.00 H ATOM 1331 N TYR A 133 -0.014 -25.019 18.114 1.00 47.84 N ATOM 1332 CA TYR A 133 -1.479 -25.205 18.338 1.00 48.75 C ATOM 1333 C TYR A 133 -2.192 -23.886 17.990 1.00 45.58 C ATOM 1334 O TYR A 133 -3.268 -23.900 17.340 1.00 47.15 O ATOM 1335 CB TYR A 133 -1.851 -25.473 19.803 1.00 52.51 C ATOM 1336 CG TYR A 133 -1.424 -26.784 20.408 1.00 62.21 C ATOM 1337 CD1 TYR A 133 -0.714 -27.730 19.681 1.00 66.41 C ATOM 1338 CD2 TYR A 133 -1.782 -27.105 21.719 1.00 65.26 C ATOM 1339 CE1 TYR A 133 -0.317 -28.927 20.254 1.00 68.02 C ATOM 1340 CE2 TYR A 133 -1.413 -28.309 22.296 1.00 67.58 C ATOM 1341 CZ TYR A 133 -0.668 -29.218 21.562 1.00 68.76 C ATOM 1342 OH TYR A 133 -0.303 -30.414 22.101 1.00 72.68 O ATOM 1343 HH TYR A 133 0.220 -30.928 21.436 1.00 0.00 H ATOM 1344 H TYR A 133 0.633 -25.270 18.889 1.00 0.00 H ATOM 1345 N LYS A 134 -1.703 -22.800 18.586 1.00 43.44 N ATOM 1346 CA LYS A 134 -2.280 -21.439 18.460 1.00 42.78 C ATOM 1347 C LYS A 134 -2.229 -21.001 16.997 1.00 40.85 C ATOM 1348 O LYS A 134 -3.242 -20.480 16.519 1.00 42.86 O ATOM 1349 CB LYS A 134 -1.552 -20.467 19.382 1.00 43.41 C ATOM 1350 CG LYS A 134 -1.660 -20.785 20.869 1.00 46.84 C ATOM 1351 CD LYS A 134 -1.077 -19.712 21.745 1.00 45.99 C ATOM 1352 CE LYS A 134 -0.905 -20.150 23.176 1.00 49.12 C ATOM 1353 NZ LYS A 134 -2.194 -20.181 23.888 1.00 53.33 N ATOM 1354 HZ1 LYS A 134 -2.615 -19.230 23.882 1.00 0.00 H ATOM 1355 HZ2 LYS A 134 -2.835 -20.848 23.413 1.00 0.00 H ATOM 1356 HZ3 LYS A 134 -2.039 -20.487 24.870 1.00 0.00 H ATOM 1357 H LYS A 134 -0.858 -22.914 19.181 1.00 0.00 H ATOM 1358 N LEU A 135 -1.078 -21.147 16.325 1.00 38.48 N ATOM 1359 CA LEU A 135 -0.941 -20.792 14.893 1.00 36.73 C ATOM 1360 C LEU A 135 -1.975 -21.555 14.073 1.00 39.18 C ATOM 1361 O LEU A 135 -2.570 -20.940 13.192 1.00 37.59 O ATOM 1362 CB LEU A 135 0.453 -21.075 14.376 1.00 37.36 C ATOM 1363 CG LEU A 135 1.577 -20.239 14.996 1.00 36.62 C ATOM 1364 CD1 LEU A 135 2.929 -20.832 14.635 1.00 38.47 C ATOM 1365 CD2 LEU A 135 1.493 -18.779 14.567 1.00 34.25 C ATOM 1366 H LEU A 135 -0.250 -21.524 16.828 1.00 0.00 H ATOM 1367 N LEU A 136 -2.119 -22.868 14.285 1.00 41.48 N ATOM 1368 CA LEU A 136 -3.034 -23.698 13.461 1.00 43.40 C ATOM 1369 C LEU A 136 -4.503 -23.338 13.794 1.00 44.37 C ATOM 1370 O LEU A 136 -5.307 -23.268 12.859 1.00 45.83 O ATOM 1371 CB LEU A 136 -2.728 -25.183 13.674 1.00 47.12 C ATOM 1372 CG LEU A 136 -1.348 -25.652 13.191 1.00 48.23 C ATOM 1373 CD1 LEU A 136 -1.209 -27.143 13.366 1.00 51.44 C ATOM 1374 CD2 LEU A 136 -1.074 -25.249 11.740 1.00 47.71 C ATOM 1375 H LEU A 136 -1.575 -23.320 15.048 1.00 0.00 H ATOM 1376 N ARG A 137 -4.828 -23.055 15.064 1.00 45.33 N ATOM 1377 CA ARG A 137 -6.206 -22.622 15.475 1.00 46.10 C ATOM 1378 C ARG A 137 -6.566 -21.319 14.744 1.00 43.31 C ATOM 1379 O ARG A 137 -7.743 -21.060 14.547 1.00 39.90 O ATOM 1380 CB ARG A 137 -6.301 -22.387 16.987 1.00 51.02 C ATOM 1381 CG ARG A 137 -6.516 -23.642 17.819 1.00 58.92 C ATOM 1382 CD ARG A 137 -6.863 -23.323 19.271 1.00 65.49 C ATOM 1383 NE ARG A 137 -5.695 -22.954 20.095 1.00 65.69 N ATOM 1384 CZ ARG A 137 -5.030 -23.783 20.936 1.00 69.99 C ATOM 1385 NH1 ARG A 137 -3.994 -23.329 21.636 1.00 63.93 N ATOM 1386 NH2 ARG A 137 -5.382 -25.057 21.057 1.00 71.86 N ATOM 1387 HE ARG A 137 -5.353 -21.974 20.024 1.00 0.00 H ATOM 1388 HH12 ARG A 137 -3.484 -23.965 22.281 1.00 0.00 H ATOM 1389 HH11 ARG A 137 -3.694 -22.338 21.538 1.00 0.00 H ATOM 1390 HH22 ARG A 137 -4.862 -25.681 21.707 1.00 0.00 H ATOM 1391 HH21 ARG A 137 -6.178 -25.432 20.502 1.00 0.00 H ATOM 1392 H ARG A 137 -4.094 -23.139 15.796 1.00 0.00 H ATOM 1393 N ALA A 138 -5.563 -20.518 14.389 1.00 41.68 N ATOM 1394 CA ALA A 138 -5.739 -19.173 13.775 1.00 40.83 C ATOM 1395 C ALA A 138 -5.952 -19.316 12.269 1.00 40.98 C ATOM 1396 O ALA A 138 -6.305 -18.329 11.625 1.00 41.17 O ATOM 1397 CB ALA A 138 -4.536 -18.317 14.064 1.00 37.70 C ATOM 1398 H ALA A 138 -4.592 -20.854 14.551 1.00 0.00 H ATOM 1399 N GLY A 139 -5.613 -20.469 11.713 1.00 42.23 N ATOM 1400 CA GLY A 139 -5.747 -20.743 10.263 1.00 44.46 C ATOM 1401 C GLY A 139 -4.391 -20.872 9.572 1.00 42.41 C ATOM 1402 O GLY A 139 -4.329 -20.860 8.332 1.00 45.23 O ATOM 1403 H GLY A 139 -5.234 -21.220 12.325 1.00 0.00 H ATOM 1404 N GLY A 140 -3.334 -20.981 10.366 1.00 42.13 N ATOM 1405 CA GLY A 140 -1.970 -21.151 9.853 1.00 42.73 C ATOM 1406 C GLY A 140 -1.835 -22.476 9.147 1.00 45.17 C ATOM 1407 O GLY A 140 -2.658 -23.357 9.434 1.00 45.04 O ATOM 1408 H GLY A 140 -3.478 -20.944 11.395 1.00 0.00 H ATOM 1409 N VAL A 141 -0.821 -22.599 8.278 1.00 46.27 N ATOM 1410 CA VAL A 141 -0.610 -23.710 7.312 1.00 47.92 C ATOM 1411 C VAL A 141 0.765 -24.321 7.574 1.00 48.22 C ATOM 1412 O VAL A 141 1.776 -23.569 7.585 1.00 43.85 O ATOM 1413 CB VAL A 141 -0.710 -23.203 5.864 1.00 50.71 C ATOM 1414 CG1 VAL A 141 -0.135 -24.201 4.876 1.00 53.42 C ATOM 1415 CG2 VAL A 141 -2.147 -22.860 5.487 1.00 53.06 C ATOM 1416 H VAL A 141 -0.110 -21.840 8.280 1.00 0.00 H ATOM 1417 N MET A 142 0.833 -25.636 7.703 1.00 49.49 N ATOM 1418 CA MET A 142 2.130 -26.340 7.811 1.00 53.74 C ATOM 1419 C MET A 142 2.700 -26.486 6.399 1.00 57.99 C ATOM 1420 O MET A 142 1.954 -26.897 5.521 1.00 62.08 O ATOM 1421 CB MET A 142 1.968 -27.706 8.481 1.00 54.98 C ATOM 1422 CG MET A 142 3.146 -28.069 9.349 1.00 59.57 C ATOM 1423 SD MET A 142 3.092 -29.763 9.986 1.00 63.78 S ATOM 1424 CE MET A 142 3.348 -30.713 8.485 1.00 68.91 C ATOM 1425 H MET A 142 -0.047 -26.189 7.729 1.00 0.00 H ATOM 1426 N VAL A 143 3.951 -26.082 6.177 1.00 59.96 N ATOM 1427 CA VAL A 143 4.668 -26.300 4.885 1.00 69.33 C ATOM 1428 C VAL A 143 5.346 -27.677 4.900 1.00 74.99 C ATOM 1429 O VAL A 143 5.875 -28.058 5.955 1.00 76.78 O ATOM 1430 CB VAL A 143 5.687 -25.189 4.613 1.00 70.48 C ATOM 1431 CG1 VAL A 143 6.450 -25.437 3.317 1.00 73.73 C ATOM 1432 CG2 VAL A 143 5.026 -23.827 4.609 1.00 69.07 C ATOM 1433 H VAL A 143 4.454 -25.590 6.943 1.00 0.00 H ATOM 1434 N MET A 144 5.373 -28.360 3.744 1.00 83.77 N ATOM 1435 CA MET A 144 5.973 -29.713 3.547 1.00 86.51 C ATOM 1436 C MET A 144 5.434 -30.668 4.620 1.00 88.12 C ATOM 1437 O MET A 144 6.218 -31.268 5.355 1.00 90.66 O ATOM 1438 CB MET A 144 7.507 -29.666 3.622 1.00 87.31 C ATOM 1439 H MET A 144 4.939 -27.908 2.914 1.00 0.00 H TER 1440 MET A 144 HETATM 1441 O HOH 1 -10.976 -13.146 17.874 1.00 51.41 O HETATM 1442 O HOH 2 -4.932 -24.023 10.576 1.00 39.70 O HETATM 1443 O HOH 3 -9.900 26.669 16.149 1.00 45.87 O HETATM 1444 O HOH 4 14.224 -13.924 23.812 1.00 52.81 O HETATM 1445 O HOH 5 -3.053 -18.982 6.456 1.00 57.65 O HETATM 1446 O HOH 6 -6.450 13.247 16.854 1.00 48.31 O HETATM 1447 O HOH 7 -4.110 -10.737 24.941 1.00 57.36 O HETATM 1448 O HOH 8 -14.869 19.357 11.311 1.00 50.90 O HETATM 1449 O HOH 9 6.239 -5.887 3.323 1.00 43.31 O HETATM 1450 O HOH 10 -3.628 -11.734 3.176 1.00 48.71 O HETATM 1451 O HOH 11 -7.626 -3.658 23.733 1.00 51.02 O HETATM 1452 O HOH 12 -5.213 -10.605 21.009 1.00 36.60 O HETATM 1453 O HOH 13 9.347 -20.305 17.957 1.00 42.03 O HETATM 1454 O HOH 14 -2.795 12.174 -2.336 1.00 54.39 O HETATM 1455 O HOH 15 1.555 2.316 3.833 1.00 46.64 O HETATM 1456 O HOH 16 16.253 -11.836 20.848 1.00 48.44 O HETATM 1457 O HOH 17 -7.192 -0.792 3.752 1.00 39.31 O HETATM 1458 O HOH 18 5.916 -9.775 23.401 1.00 48.31 O HETATM 1459 O HOH 19 -3.294 18.400 6.329 1.00 46.28 O HETATM 1460 O HOH 20 -10.306 18.764 5.858 1.00 42.28 O HETATM 1461 O HOH 21 5.791 7.783 19.789 1.00 53.56 O HETATM 1462 O HOH 22 4.641 -25.936 23.887 1.00 53.76 O HETATM 1463 O HOH 23 0.344 2.427 26.166 1.00 57.80 O HETATM 1464 O HOH 24 -12.581 -9.083 20.173 1.00 37.58 O HETATM 1465 O HOH 25 4.683 -9.648 2.223 1.00 59.93 O HETATM 1466 O HOH 26 -8.338 -6.369 13.661 1.00 32.84 O HETATM 1467 O HOH 27 7.221 -21.541 19.112 1.00 51.14 O HETATM 1468 O HOH 28 -13.929 -5.776 20.247 1.00 42.04 O HETATM 1469 O HOH 29 8.970 -20.615 15.422 1.00 40.30 O HETATM 1470 O HOH 30 2.345 -20.665 23.299 1.00 45.99 O HETATM 1471 O HOH 31 -8.991 -10.009 4.426 1.00 56.79 O HETATM 1472 O HOH 32 -6.409 -12.984 23.804 1.00 58.86 O HETATM 1473 O HOH 33 -6.172 3.808 -1.929 1.00 37.27 O HETATM 1474 O HOH 34 4.894 -21.517 23.249 1.00 49.25 O HETATM 1475 O HOH 35 -2.057 12.408 11.817 1.00 35.36 O HETATM 1476 O HOH 36 15.494 -28.595 15.050 1.00 46.90 O HETATM 1477 O HOH 37 10.468 -7.554 13.820 1.00 40.38 O HETATM 1478 O HOH 38 -13.603 20.218 15.974 1.00 44.39 O HETATM 1479 O HOH 39 -10.877 12.353 0.993 1.00 41.65 O HETATM 1480 O HOH 40 -3.139 5.740 -2.593 1.00 48.09 O HETATM 1481 O HOH 41 -9.811 -3.653 20.405 1.00 45.18 O HETATM 1482 O HOH 42 7.592 9.815 10.399 1.00 46.53 O HETATM 1483 O HOH 43 -11.698 2.410 -1.284 1.00 58.66 O HETATM 1484 O HOH 44 9.720 -11.689 14.318 1.00 43.13 O HETATM 1485 O HOH 45 -10.792 8.312 11.939 1.00 44.14 O HETATM 1486 O HOH 46 0.970 11.957 4.276 1.00 35.38 O HETATM 1487 O HOH 47 7.577 10.866 16.709 1.00 48.46 O HETATM 1488 O HOH 48 -6.320 4.318 20.069 1.00 43.56 O HETATM 1489 O HOH 49 -1.146 -11.491 4.088 1.00 44.80 O HETATM 1490 O HOH 50 3.649 0.546 4.985 1.00 32.39 O HETATM 1491 O HOH 51 1.018 14.200 5.168 1.00 50.32 O HETATM 1492 O HOH 52 1.694 6.469 25.621 1.00 51.97 O HETATM 1493 O HOH 53 -3.753 18.316 3.879 1.00 61.56 O HETATM 1494 O HOH 54 -8.857 20.516 4.620 1.00 49.31 O HETATM 1495 C2 M A 7 4.401 14.609 11.662 1.00 -0.01 C HETATM 1496 C1 M A 7 4.761 15.756 12.333 1.00 0.16 C HETATM 1497 N3 M A 7 3.962 16.421 13.159 1.00 -0.28 N HETATM 1498 C19 M A 7 2.719 15.937 13.316 1.00 0.00 C HETATM 1499 C4 M A 7 2.241 14.811 12.671 1.00 -0.01 C HETATM 1500 C5 M A 7 0.800 14.382 12.784 1.00 0.07 C HETATM 1501 N M A 7 0.161 14.742 14.036 1.00 -0.26 N HETATM 1502 C6 M A 7 -1.177 14.950 14.026 1.00 0.26 C HETATM 1503 O1 M A 7 -1.872 14.879 13.020 1.00 -0.40 O HETATM 1504 N1 M A 7 -1.707 15.276 15.227 1.00 -0.26 N HETATM 1505 C7 M A 7 -0.929 15.405 16.467 1.00 0.05 C HETATM 1506 C8 M A 7 -1.611 16.375 17.423 1.00 0.05 C HETATM 1507 N2 M A 7 -2.972 15.929 17.746 1.00 -0.30 N HETATM 1508 C9 M A 7 -3.456 16.062 19.041 1.00 0.05 C HETATM 1509 C10 M A 7 -2.980 17.075 19.877 1.00 -0.04 C HETATM 1510 C11 M A 7 -3.428 17.185 21.178 1.00 -0.05 C HETATM 1511 C12 M A 7 -4.387 16.312 21.678 1.00 0.02 C HETATM 1512 C13 M A 7 -4.787 16.356 23.117 1.00 0.12 C HETATM 1513 O2 M A 7 -5.757 15.713 23.508 1.00 -0.39 O HETATM 1514 C14 M A 7 -4.040 17.245 24.063 1.00 0.01 C HETATM 1515 H5 M A 7 -3.210 17.732 23.530 1.00 0.04 H HETATM 1516 H6 M A 7 -3.640 16.644 24.893 1.00 0.04 H HETATM 1517 H7 M A 7 -4.721 18.012 24.461 1.00 0.04 H HETATM 1518 C16 M A 7 -4.893 15.325 20.836 1.00 -0.05 C HETATM 1519 C15 M A 7 -4.426 15.190 19.540 1.00 -0.04 C HETATM 1520 H11 M A 7 -4.816 14.401 18.907 1.00 0.05 H HETATM 1521 H10 M A 7 -5.662 14.654 21.200 1.00 0.06 H HETATM 1522 H8 M A 7 -3.027 17.962 21.818 1.00 0.06 H HETATM 1523 H9 M A 7 -2.251 17.783 19.500 1.00 0.05 H HETATM 1524 C18 M A 7 -3.488 14.897 16.844 1.00 0.05 C HETATM 1525 C17 M A 7 -3.164 15.240 15.418 1.00 0.05 C HETATM 1526 H18 M A 7 -3.587 16.226 15.175 1.00 0.05 H HETATM 1527 H19 M A 7 -3.600 14.480 14.753 1.00 0.05 H HETATM 1528 H16 M A 7 -4.579 14.826 16.961 1.00 0.05 H HETATM 1529 H17 M A 7 -3.028 13.931 17.098 1.00 0.05 H HETATM 1530 H12 M A 7 -1.024 16.438 18.351 1.00 0.05 H HETATM 1531 H13 M A 7 -1.660 17.368 16.953 1.00 0.05 H HETATM 1532 H14 M A 7 -0.848 14.419 16.948 1.00 0.05 H HETATM 1533 H15 M A 7 0.077 15.780 16.227 1.00 0.05 H HETATM 1534 H20 M A 7 0.691 14.834 14.879 1.00 0.19 H HETATM 1535 H2 M A 7 0.758 13.288 12.679 1.00 0.07 H HETATM 1536 H3 M A 7 0.237 14.851 11.964 1.00 0.07 H HETATM 1537 C3 M A 7 3.119 14.144 11.847 1.00 -0.05 C HETATM 1538 H4 M A 7 2.797 13.243 11.338 1.00 0.07 H HETATM 1539 H21 M A 7 2.050 16.461 13.989 1.00 0.07 H HETATM 1540 O M A 7 6.003 16.211 12.081 1.00 -0.31 O HETATM 1541 C M A 7 6.429 17.382 12.765 1.00 0.06 C HETATM 1542 H22 M A 7 7.456 17.631 12.460 1.00 0.06 H HETATM 1543 H23 M A 7 6.402 17.203 13.850 1.00 0.06 H HETATM 1544 H24 M A 7 5.759 18.218 12.514 1.00 0.06 H HETATM 1545 H1 M A 7 5.100 14.093 11.014 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1495 1496 1537 1545 CONECT 1496 1495 1497 1540 CONECT 1497 1496 1498 CONECT 1498 1497 1499 1539 CONECT 1499 1498 1500 1537 CONECT 1500 1499 1501 1535 1536 CONECT 1501 1500 1502 1534 CONECT 1502 1501 1503 1504 CONECT 1503 1502 CONECT 1504 1502 1505 1525 CONECT 1505 1504 1506 1532 1533 CONECT 1506 1505 1507 1530 1531 CONECT 1507 1506 1508 1524 CONECT 1508 1507 1509 1519 CONECT 1509 1508 1510 1523 CONECT 1510 1509 1511 1522 CONECT 1511 1510 1512 1518 CONECT 1512 1511 1513 1514 CONECT 1513 1512 CONECT 1514 1512 1515 1516 1517 CONECT 1515 1514 CONECT 1516 1514 CONECT 1517 1514 CONECT 1518 1511 1519 1521 CONECT 1519 1508 1518 1520 CONECT 1520 1519 CONECT 1521 1518 CONECT 1522 1510 CONECT 1523 1509 CONECT 1524 1507 1525 1528 1529 CONECT 1525 1504 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1524 CONECT 1529 1524 CONECT 1530 1506 CONECT 1531 1506 CONECT 1532 1505 CONECT 1533 1505 CONECT 1534 1501 CONECT 1535 1500 CONECT 1536 1500 CONECT 1537 1495 1499 1538 CONECT 1538 1537 CONECT 1539 1498 CONECT 1540 1496 1541 CONECT 1541 1540 1542 1543 1544 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1541 CONECT 1545 1495 MASTER 0 0 0 0 0 0 0 0 1544 1 55 11 END
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Structure:
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Related entries of code: 6t1i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6hpw
RCSB PDB
PDBbind
155aa, >6HPW_1|Chain... *
6ht1
RCSB PDB
PDBbind
155aa, >6HT1_1|Chain... at 100%
6t1j
RCSB PDB
PDBbind
154aa, >6T1J_1|Chain... at 100%
6t1l
RCSB PDB
PDBbind
154aa, >6T1L_1|Chain... at 100%
6t1m
RCSB PDB
PDBbind
154aa, >6T1M_1|Chain... at 100%
6t1n
RCSB PDB
PDBbind
154aa, >6T1N_1|Chain... at 100%
6t1o
RCSB PDB
PDBbind
154aa, >6T1O_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6t1i
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
MLLT1 (ENL) YEATS domain
Ligand Name
M7W
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=5.5uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Med.Chem.Lett. Vol. 10: pp. 1661-1666
Ligand Properties
Formula
C
2
0
H
2
4
N
4
O
3
Molecular Weight
368.430
Exact Mass
368.185
No. of atoms
51
No. of bonds
53
Polar Surface Area
74.77
LOGP Value
1.56 (
Computed with XLOGP3
)
2.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
COc1ccc(cn1)CNC(=O)N1CCN(CC1)c1ccc(cc1)C(=O)C
InChI String
InChI=1S/C20H24N4O3/c1-15(25)17-4-6-18(7-5-17)23-9-11-24(12-10-23)20(26)22-14-16-3-8-19(27-2)21-13-16/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
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):
Q03111
Entrez Gene ID
NCBI Entrez Gene ID:
4298
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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