Browse entries in the PDBbind-CN Database
HEADER 3G7L_COMPLEX COMPND 3G7L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 55 ALA ASP VAL TYR GLU VAL GLU ASP ILE LEU ALA ASP ARG SEQRES 2 A 55 VAL ASN LYS ASN GLY ILE ASN GLU TYR TYR ILE LYS TRP SEQRES 3 A 55 ALA GLY TYR ASP TRP TYR ASP ASN THR TRP GLU PRO GLU SEQRES 4 A 55 GLN ASN LEU PHE GLY ALA GLU LYS VAL LEU LYS LYS TRP SEQRES 5 A 55 LYS LYS ARG HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET LYS A 89 132 ATOM 1 N ALA A 19 -10.944 -13.592 -19.271 1.00 58.75 N ATOM 2 CA ALA A 19 -12.142 -13.904 -18.492 1.00 75.27 C ATOM 3 C ALA A 19 -11.809 -14.222 -17.024 1.00 76.46 C ATOM 4 O ALA A 19 -11.916 -13.354 -16.150 1.00 80.71 O ATOM 5 CB ALA A 19 -12.898 -15.066 -19.134 1.00 81.68 C ATOM 6 HA ALA A 19 -12.777 -13.018 -18.494 1.00 0.00 H ATOM 7 HB1 ALA A 19 -13.191 -14.792 -20.147 1.00 0.00 H ATOM 8 HB2 ALA A 19 -12.253 -15.944 -19.166 1.00 0.00 H ATOM 9 HB3 ALA A 19 -13.788 -15.289 -18.545 1.00 0.00 H ATOM 10 HN3 ALA A 19 -10.298 -14.407 -19.253 1.00 0.00 H ATOM 11 HN2 ALA A 19 -10.470 -12.764 -18.858 1.00 0.00 H ATOM 12 HN1 ALA A 19 -11.215 -13.384 -20.253 1.00 0.00 H ATOM 13 N ASP A 20 -11.423 -15.468 -16.751 1.00 75.03 N ATOM 14 CA ASP A 20 -10.943 -15.849 -15.418 1.00 66.13 C ATOM 15 C ASP A 20 -9.456 -15.520 -15.269 1.00 49.67 C ATOM 16 O ASP A 20 -8.729 -16.218 -14.573 1.00 55.90 O ATOM 17 CB ASP A 20 -11.170 -17.346 -15.159 1.00 72.90 C ATOM 18 CG ASP A 20 -12.479 -17.630 -14.416 1.00 81.87 C ATOM 19 OD1 ASP A 20 -12.993 -16.734 -13.708 1.00 83.48 O ATOM 20 OD2 ASP A 20 -12.988 -18.766 -14.532 1.00 83.87 O ATOM 21 HA ASP A 20 -11.511 -15.278 -14.684 1.00 0.00 H ATOM 22 HB2 ASP A 20 -11.194 -17.865 -16.117 1.00 0.00 H ATOM 23 HB3 ASP A 20 -10.341 -17.726 -14.562 1.00 0.00 H ATOM 24 H ASP A 20 -11.463 -16.188 -17.501 1.00 0.00 H ATOM 25 N VAL A 21 -9.011 -14.453 -15.928 1.00 44.84 N ATOM 26 CA VAL A 21 -7.597 -14.114 -15.984 1.00 42.18 C ATOM 27 C VAL A 21 -7.350 -12.846 -15.183 1.00 43.52 C ATOM 28 O VAL A 21 -8.021 -11.845 -15.393 1.00 47.23 O ATOM 29 CB VAL A 21 -7.112 -13.956 -17.471 1.00 46.13 C ATOM 30 CG1 VAL A 21 -5.853 -13.077 -17.579 1.00 41.42 C ATOM 31 CG2 VAL A 21 -6.860 -15.331 -18.094 1.00 38.86 C ATOM 32 HA VAL A 21 -7.018 -14.926 -15.544 1.00 0.00 H ATOM 33 HB VAL A 21 -7.906 -13.452 -18.023 1.00 0.00 H ATOM 34 HG11 VAL A 21 -6.070 -12.084 -17.185 1.00 0.00 H ATOM 35 HG12 VAL A 21 -5.045 -13.529 -17.004 1.00 0.00 H ATOM 36 HG13 VAL A 21 -5.556 -12.997 -18.625 1.00 0.00 H ATOM 37 HG21 VAL A 21 -6.093 -15.853 -17.522 1.00 0.00 H ATOM 38 HG22 VAL A 21 -7.783 -15.910 -18.079 1.00 0.00 H ATOM 39 HG23 VAL A 21 -6.525 -15.206 -19.124 1.00 0.00 H ATOM 40 H VAL A 21 -9.695 -13.842 -16.418 1.00 0.00 H ATOM 41 N TYR A 22 -6.388 -12.886 -14.262 1.00 41.88 N ATOM 42 CA TYR A 22 -6.139 -11.732 -13.401 1.00 44.24 C ATOM 43 C TYR A 22 -4.661 -11.377 -13.341 1.00 43.50 C ATOM 44 O TYR A 22 -3.798 -12.168 -13.749 1.00 42.69 O ATOM 45 CB TYR A 22 -6.647 -12.014 -11.987 1.00 37.83 C ATOM 46 CG TYR A 22 -8.118 -12.359 -11.912 1.00 43.78 C ATOM 47 CD1 TYR A 22 -9.072 -11.401 -11.551 1.00 48.32 C ATOM 48 CD2 TYR A 22 -8.559 -13.651 -12.184 1.00 41.32 C ATOM 49 CE1 TYR A 22 -10.425 -11.728 -11.481 1.00 48.03 C ATOM 50 CE2 TYR A 22 -9.901 -13.987 -12.110 1.00 45.55 C ATOM 51 CZ TYR A 22 -10.832 -13.030 -11.763 1.00 55.47 C ATOM 52 OH TYR A 22 -12.168 -13.399 -11.710 1.00 62.41 O ATOM 53 HA TYR A 22 -6.675 -10.885 -13.830 1.00 0.00 H ATOM 54 HB3 TYR A 22 -6.472 -11.127 -11.378 1.00 0.00 H ATOM 55 HB2 TYR A 22 -6.079 -12.850 -11.580 1.00 0.00 H ATOM 56 HD2 TYR A 22 -7.833 -14.415 -12.461 1.00 0.00 H ATOM 57 HE2 TYR A 22 -10.221 -15.006 -12.326 1.00 0.00 H ATOM 58 HE1 TYR A 22 -11.159 -10.970 -11.208 1.00 0.00 H ATOM 59 HD1 TYR A 22 -8.752 -10.385 -11.321 1.00 0.00 H ATOM 60 HH TYR A 22 -12.715 -12.616 -11.450 1.00 0.00 H ATOM 61 H TYR A 22 -5.810 -13.744 -14.155 1.00 0.00 H ATOM 62 N GLU A 23 -4.378 -10.181 -12.826 1.00 37.39 N ATOM 63 CA GLU A 23 -3.010 -9.725 -12.660 1.00 41.86 C ATOM 64 C GLU A 23 -2.362 -10.457 -11.484 1.00 39.61 C ATOM 65 O GLU A 23 -2.955 -10.578 -10.407 1.00 37.48 O ATOM 66 CB GLU A 23 -2.997 -8.223 -12.409 1.00 47.79 C ATOM 67 CG GLU A 23 -1.618 -7.578 -12.478 1.00 54.00 C ATOM 68 CD GLU A 23 -1.673 -6.050 -12.367 1.00 60.36 C ATOM 69 OE1 GLU A 23 -2.790 -5.472 -12.412 1.00 64.94 O ATOM 70 OE2 GLU A 23 -0.599 -5.420 -12.237 1.00 49.97 O ATOM 71 HA GLU A 23 -2.445 -9.939 -13.567 1.00 0.00 H ATOM 72 HB2 GLU A 23 -3.632 -7.748 -13.157 1.00 0.00 H ATOM 73 HB3 GLU A 23 -3.408 -8.041 -11.416 1.00 0.00 H ATOM 74 HG2 GLU A 23 -1.010 -7.966 -11.660 1.00 0.00 H ATOM 75 HG3 GLU A 23 -1.156 -7.842 -13.429 1.00 0.00 H ATOM 76 H GLU A 23 -5.158 -9.558 -12.535 1.00 0.00 H ATOM 77 N VAL A 24 -1.159 -10.965 -11.725 1.00 42.16 N ATOM 78 CA VAL A 24 -0.297 -11.535 -10.701 1.00 44.42 C ATOM 79 C VAL A 24 0.531 -10.443 -10.014 1.00 48.34 C ATOM 80 O VAL A 24 1.270 -9.714 -10.672 1.00 55.70 O ATOM 81 CB VAL A 24 0.668 -12.565 -11.341 1.00 42.55 C ATOM 82 CG1 VAL A 24 1.789 -12.948 -10.379 1.00 38.38 C ATOM 83 CG2 VAL A 24 -0.107 -13.804 -11.839 1.00 34.98 C ATOM 84 HA VAL A 24 -0.930 -12.023 -9.959 1.00 0.00 H ATOM 85 HB VAL A 24 1.137 -12.098 -12.207 1.00 0.00 H ATOM 86 HG11 VAL A 24 2.358 -12.057 -10.114 1.00 0.00 H ATOM 87 HG12 VAL A 24 1.359 -13.388 -9.479 1.00 0.00 H ATOM 88 HG13 VAL A 24 2.447 -13.672 -10.860 1.00 0.00 H ATOM 89 HG21 VAL A 24 -0.617 -14.274 -10.998 1.00 0.00 H ATOM 90 HG22 VAL A 24 -0.840 -13.497 -12.585 1.00 0.00 H ATOM 91 HG23 VAL A 24 0.591 -14.513 -12.284 1.00 0.00 H ATOM 92 H VAL A 24 -0.812 -10.955 -12.705 1.00 0.00 H ATOM 93 N GLU A 25 0.394 -10.310 -8.694 1.00 35.25 N ATOM 94 CA GLU A 25 1.290 -9.428 -7.943 1.00 37.41 C ATOM 95 C GLU A 25 2.639 -10.120 -7.702 1.00 35.59 C ATOM 96 O GLU A 25 3.711 -9.506 -7.852 1.00 33.55 O ATOM 97 CB GLU A 25 0.663 -8.940 -6.607 1.00 36.45 C ATOM 98 CG GLU A 25 1.628 -8.091 -5.776 1.00 40.19 C ATOM 99 CD GLU A 25 1.040 -7.583 -4.432 1.00 52.28 C ATOM 100 OE1 GLU A 25 1.835 -7.269 -3.504 1.00 52.79 O ATOM 101 OE2 GLU A 25 -0.197 -7.478 -4.308 1.00 38.41 O ATOM 102 HA GLU A 25 1.454 -8.538 -8.550 1.00 0.00 H ATOM 103 HB2 GLU A 25 -0.220 -8.343 -6.834 1.00 0.00 H ATOM 104 HB3 GLU A 25 0.371 -9.811 -6.020 1.00 0.00 H ATOM 105 HG2 GLU A 25 2.510 -8.693 -5.557 1.00 0.00 H ATOM 106 HG3 GLU A 25 1.919 -7.225 -6.370 1.00 0.00 H ATOM 107 H GLU A 25 -0.353 -10.835 -8.196 1.00 0.00 H ATOM 108 N ASP A 26 2.614 -11.398 -7.334 1.00 35.47 N ATOM 109 CA ASP A 26 3.869 -12.062 -6.996 1.00 35.63 C ATOM 110 C ASP A 26 3.699 -13.548 -6.841 1.00 24.38 C ATOM 111 O ASP A 26 2.580 -14.019 -6.632 1.00 30.46 O ATOM 112 CB ASP A 26 4.439 -11.486 -5.685 1.00 46.31 C ATOM 113 CG ASP A 26 5.951 -11.687 -5.564 1.00 63.73 C ATOM 114 OD1 ASP A 26 6.551 -12.365 -6.444 1.00 65.11 O ATOM 115 OD2 ASP A 26 6.543 -11.152 -4.599 1.00 67.09 O ATOM 116 HA ASP A 26 4.558 -11.880 -7.821 1.00 0.00 H ATOM 117 HB2 ASP A 26 4.224 -10.418 -5.650 1.00 0.00 H ATOM 118 HB3 ASP A 26 3.952 -11.981 -4.845 1.00 0.00 H ATOM 119 H ASP A 26 1.714 -11.916 -7.288 1.00 0.00 H ATOM 120 N ILE A 27 4.808 -14.287 -6.922 1.00 32.18 N ATOM 121 CA ILE A 27 4.832 -15.699 -6.523 1.00 34.22 C ATOM 122 C ILE A 27 5.478 -15.847 -5.154 1.00 36.90 C ATOM 123 O ILE A 27 6.540 -15.284 -4.932 1.00 43.25 O ATOM 124 CB ILE A 27 5.624 -16.533 -7.519 1.00 30.22 C ATOM 125 CG1 ILE A 27 4.912 -16.509 -8.882 1.00 38.75 C ATOM 126 CG2 ILE A 27 5.781 -17.967 -7.002 1.00 24.27 C ATOM 127 CD1 ILE A 27 5.675 -17.212 -9.963 1.00 26.72 C ATOM 128 HA ILE A 27 3.801 -16.051 -6.494 1.00 0.00 H ATOM 129 HB ILE A 27 6.622 -16.112 -7.639 1.00 0.00 H ATOM 130 HG12 ILE A 27 3.941 -16.992 -8.774 1.00 0.00 H ATOM 131 HG13 ILE A 27 4.769 -15.470 -9.179 1.00 0.00 H ATOM 132 HD11 ILE A 27 6.646 -16.733 -10.091 1.00 0.00 H ATOM 133 HD12 ILE A 27 5.817 -18.256 -9.685 1.00 0.00 H ATOM 134 HD13 ILE A 27 5.115 -17.156 -10.896 1.00 0.00 H ATOM 135 HG21 ILE A 27 6.309 -17.952 -6.049 1.00 0.00 H ATOM 136 HG22 ILE A 27 4.796 -18.413 -6.866 1.00 0.00 H ATOM 137 HG23 ILE A 27 6.350 -18.552 -7.725 1.00 0.00 H ATOM 138 H ILE A 27 5.681 -13.849 -7.279 1.00 0.00 H ATOM 139 N LEU A 28 4.840 -16.611 -4.260 1.00 38.10 N ATOM 140 CA LEU A 28 5.262 -16.733 -2.840 1.00 41.95 C ATOM 141 C LEU A 28 5.879 -18.091 -2.489 1.00 38.14 C ATOM 142 O LEU A 28 6.684 -18.179 -1.584 1.00 41.40 O ATOM 143 CB LEU A 28 4.079 -16.509 -1.877 1.00 32.18 C ATOM 144 CG LEU A 28 3.569 -15.081 -1.609 1.00 43.37 C ATOM 145 CD1 LEU A 28 4.717 -14.115 -1.246 1.00 47.94 C ATOM 146 CD2 LEU A 28 2.758 -14.521 -2.755 1.00 45.63 C ATOM 147 HA LEU A 28 6.022 -15.961 -2.721 1.00 0.00 H ATOM 148 HB2 LEU A 28 3.237 -17.076 -2.274 1.00 0.00 H ATOM 149 HB3 LEU A 28 4.373 -16.925 -0.913 1.00 0.00 H ATOM 150 HG LEU A 28 2.905 -15.166 -0.749 1.00 0.00 H ATOM 151 HD21 LEU A 28 3.374 -14.491 -3.654 1.00 0.00 H ATOM 152 HD22 LEU A 28 1.890 -15.157 -2.929 1.00 0.00 H ATOM 153 HD23 LEU A 28 2.427 -13.513 -2.506 1.00 0.00 H ATOM 154 HD11 LEU A 28 5.220 -14.472 -0.347 1.00 0.00 H ATOM 155 HD12 LEU A 28 5.429 -14.073 -2.070 1.00 0.00 H ATOM 156 HD13 LEU A 28 4.310 -13.120 -1.066 1.00 0.00 H ATOM 157 H LEU A 28 4.006 -17.147 -4.575 1.00 0.00 H ATOM 158 N ALA A 29 5.476 -19.154 -3.182 1.00 41.65 N ATOM 159 CA ALA A 29 6.030 -20.474 -2.912 1.00 31.54 C ATOM 160 C ALA A 29 5.745 -21.387 -4.093 1.00 34.67 C ATOM 161 O ALA A 29 4.987 -21.016 -4.997 1.00 37.31 O ATOM 162 CB ALA A 29 5.418 -21.049 -1.604 1.00 36.52 C ATOM 163 HA ALA A 29 7.109 -20.402 -2.776 1.00 0.00 H ATOM 164 HB1 ALA A 29 5.651 -20.384 -0.772 1.00 0.00 H ATOM 165 HB2 ALA A 29 4.337 -21.129 -1.715 1.00 0.00 H ATOM 166 HB3 ALA A 29 5.838 -22.036 -1.411 1.00 0.00 H ATOM 167 H ALA A 29 4.757 -19.041 -3.925 1.00 0.00 H ATOM 168 N ASP A 30 6.359 -22.566 -4.105 1.00 35.65 N ATOM 169 CA ASP A 30 6.028 -23.582 -5.101 1.00 40.02 C ATOM 170 C ASP A 30 6.048 -25.016 -4.548 1.00 44.76 C ATOM 171 O ASP A 30 6.673 -25.296 -3.534 1.00 43.82 O ATOM 172 CB ASP A 30 6.919 -23.474 -6.353 1.00 31.67 C ATOM 173 CG ASP A 30 8.363 -23.831 -6.089 1.00 34.22 C ATOM 174 OD1 ASP A 30 8.621 -24.869 -5.476 1.00 45.42 O ATOM 175 OD2 ASP A 30 9.265 -23.071 -6.521 1.00 47.21 O ATOM 176 HA ASP A 30 4.998 -23.371 -5.389 1.00 0.00 H ATOM 177 HB2 ASP A 30 6.529 -24.148 -7.115 1.00 0.00 H ATOM 178 HB3 ASP A 30 6.877 -22.449 -6.721 1.00 0.00 H ATOM 179 H ASP A 30 7.089 -22.769 -3.392 1.00 0.00 H ATOM 180 N ARG A 31 5.350 -25.906 -5.245 1.00 38.25 N ATOM 181 CA ARG A 31 5.276 -27.299 -4.874 1.00 37.93 C ATOM 182 C ARG A 31 5.014 -28.161 -6.119 1.00 36.11 C ATOM 183 O ARG A 31 4.622 -27.666 -7.166 1.00 43.72 O ATOM 184 CB ARG A 31 4.139 -27.503 -3.876 1.00 31.95 C ATOM 185 CG ARG A 31 2.789 -27.198 -4.476 1.00 34.21 C ATOM 186 CD ARG A 31 1.690 -27.389 -3.484 1.00 34.09 C ATOM 187 NE ARG A 31 0.394 -27.177 -4.100 1.00 36.66 N ATOM 188 CZ ARG A 31 -0.732 -27.004 -3.422 1.00 47.75 C ATOM 189 NH1 ARG A 31 -0.724 -26.996 -2.085 1.00 51.41 N ATOM 190 NH2 ARG A 31 -1.868 -26.837 -4.074 1.00 46.39 N ATOM 191 HA ARG A 31 6.222 -27.595 -4.421 1.00 0.00 H ATOM 192 HB2 ARG A 31 4.148 -28.540 -3.541 1.00 0.00 H ATOM 193 HB3 ARG A 31 4.300 -26.845 -3.022 1.00 0.00 H ATOM 194 HG2 ARG A 31 2.780 -26.164 -4.819 1.00 0.00 H ATOM 195 HG3 ARG A 31 2.620 -27.862 -5.323 1.00 0.00 H ATOM 196 HD2 ARG A 31 1.818 -26.678 -2.668 1.00 0.00 H ATOM 197 HD3 ARG A 31 1.737 -28.404 -3.090 1.00 0.00 H ATOM 198 HE ARG A 31 0.345 -27.160 -5.139 1.00 0.00 H ATOM 199 HH12 ARG A 31 -1.612 -26.860 -1.560 1.00 0.00 H ATOM 200 HH11 ARG A 31 0.170 -27.126 -1.570 1.00 0.00 H ATOM 201 HH22 ARG A 31 -2.755 -26.701 -3.548 1.00 0.00 H ATOM 202 HH21 ARG A 31 -1.876 -26.842 -5.114 1.00 0.00 H ATOM 203 H ARG A 31 4.837 -25.586 -6.091 1.00 0.00 H ATOM 204 N VAL A 32 5.242 -29.453 -5.989 1.00 32.94 N ATOM 205 CA VAL A 32 4.863 -30.411 -7.015 1.00 41.81 C ATOM 206 C VAL A 32 3.587 -31.111 -6.549 1.00 45.54 C ATOM 207 O VAL A 32 3.531 -31.607 -5.431 1.00 47.79 O ATOM 208 CB VAL A 32 5.981 -31.480 -7.225 1.00 41.48 C ATOM 209 CG1 VAL A 32 5.592 -32.457 -8.330 1.00 37.71 C ATOM 210 CG2 VAL A 32 7.306 -30.810 -7.546 1.00 47.03 C ATOM 211 HA VAL A 32 4.710 -29.889 -7.960 1.00 0.00 H ATOM 212 HB VAL A 32 6.096 -32.042 -6.298 1.00 0.00 H ATOM 213 HG11 VAL A 32 4.666 -32.963 -8.056 1.00 0.00 H ATOM 214 HG12 VAL A 32 5.447 -31.911 -9.262 1.00 0.00 H ATOM 215 HG13 VAL A 32 6.386 -33.193 -8.459 1.00 0.00 H ATOM 216 HG21 VAL A 32 7.203 -30.222 -8.458 1.00 0.00 H ATOM 217 HG22 VAL A 32 7.591 -30.157 -6.721 1.00 0.00 H ATOM 218 HG23 VAL A 32 8.072 -31.572 -7.689 1.00 0.00 H ATOM 219 H VAL A 32 5.708 -29.798 -5.125 1.00 0.00 H ATOM 220 N ASN A 33 2.555 -31.152 -7.383 1.00 48.65 N ATOM 221 CA ASN A 33 1.348 -31.884 -7.009 1.00 53.43 C ATOM 222 C ASN A 33 1.470 -33.404 -7.282 1.00 55.00 C ATOM 223 O ASN A 33 2.571 -33.918 -7.475 1.00 58.51 O ATOM 224 CB ASN A 33 0.153 -31.292 -7.734 1.00 50.29 C ATOM 225 CG ASN A 33 0.259 -31.449 -9.228 1.00 57.38 C ATOM 226 OD1 ASN A 33 0.999 -32.301 -9.718 1.00 65.94 O ATOM 227 ND2 ASN A 33 -0.478 -30.631 -9.965 1.00 50.23 N ATOM 228 HA ASN A 33 1.208 -31.778 -5.933 1.00 0.00 H ATOM 229 HB2 ASN A 33 -0.751 -31.796 -7.391 1.00 0.00 H ATOM 230 HB3 ASN A 33 0.088 -30.230 -7.496 1.00 0.00 H ATOM 231 HD22 ASN A 33 -1.089 -29.926 -9.506 1.00 0.00 H ATOM 232 HD21 ASN A 33 -0.445 -30.694 -11.003 1.00 0.00 H ATOM 233 H ASN A 33 2.606 -30.664 -8.300 1.00 0.00 H ATOM 234 N LYS A 34 0.340 -34.108 -7.298 1.00 62.36 N ATOM 235 CA LYS A 34 0.313 -35.563 -7.489 1.00 70.63 C ATOM 236 C LYS A 34 0.647 -35.974 -8.925 1.00 65.44 C ATOM 237 O LYS A 34 1.118 -37.084 -9.169 1.00 69.58 O ATOM 238 CB LYS A 34 -1.068 -36.118 -7.135 1.00 80.02 C ATOM 239 CG LYS A 34 -2.189 -35.578 -8.024 1.00 89.53 C ATOM 240 CD LYS A 34 -3.387 -36.528 -8.106 1.00102.46 C ATOM 241 CE LYS A 34 -3.922 -36.904 -6.728 1.00110.94 C ATOM 242 NZ LYS A 34 -4.999 -37.936 -6.787 1.00113.68 N ATOM 243 HA LYS A 34 1.076 -35.975 -6.829 1.00 0.00 H ATOM 244 HB2 LYS A 34 -1.040 -37.203 -7.235 1.00 0.00 H ATOM 245 HB3 LYS A 34 -1.291 -35.856 -6.101 1.00 0.00 H ATOM 246 HG2 LYS A 34 -2.527 -34.624 -7.619 1.00 0.00 H ATOM 247 HG3 LYS A 34 -1.795 -35.426 -9.029 1.00 0.00 H ATOM 248 HD2 LYS A 34 -4.183 -36.042 -8.671 1.00 0.00 H ATOM 249 HD3 LYS A 34 -3.079 -37.437 -8.623 1.00 0.00 H ATOM 250 HE2 LYS A 34 -4.323 -36.008 -6.254 1.00 0.00 H ATOM 251 HE3 LYS A 34 -3.099 -37.293 -6.129 1.00 0.00 H ATOM 252 HZ1 LYS A 34 -5.795 -37.573 -7.349 1.00 0.00 H ATOM 253 HZ2 LYS A 34 -4.626 -38.800 -7.230 1.00 0.00 H ATOM 254 HZ3 LYS A 34 -5.324 -38.152 -5.823 1.00 0.00 H ATOM 255 H LYS A 34 -0.562 -33.606 -7.170 1.00 0.00 H ATOM 256 N ASN A 35 0.383 -35.079 -9.870 1.00 53.72 N ATOM 257 CA ASN A 35 0.674 -35.331 -11.273 1.00 52.46 C ATOM 258 C ASN A 35 2.068 -34.908 -11.678 1.00 48.82 C ATOM 259 O ASN A 35 2.416 -34.960 -12.867 1.00 55.50 O ATOM 260 CB ASN A 35 -0.314 -34.569 -12.154 1.00 63.39 C ATOM 261 CG ASN A 35 -1.734 -35.050 -11.986 1.00 65.19 C ATOM 262 OD1 ASN A 35 -1.976 -36.192 -11.587 1.00 63.54 O ATOM 263 ND2 ASN A 35 -2.686 -34.180 -12.299 1.00 66.07 N ATOM 264 HA ASN A 35 0.589 -36.409 -11.409 1.00 0.00 H ATOM 265 HB2 ASN A 35 -0.270 -33.512 -11.893 1.00 0.00 H ATOM 266 HB3 ASN A 35 -0.023 -34.697 -13.197 1.00 0.00 H ATOM 267 HD22 ASN A 35 -2.432 -33.228 -12.631 1.00 0.00 H ATOM 268 HD21 ASN A 35 -3.686 -34.450 -12.212 1.00 0.00 H ATOM 269 H ASN A 35 -0.045 -34.171 -9.599 1.00 0.00 H ATOM 270 N GLY A 36 2.864 -34.460 -10.708 1.00 45.98 N ATOM 271 CA GLY A 36 4.247 -34.104 -10.989 1.00 47.41 C ATOM 272 C GLY A 36 4.362 -32.747 -11.653 1.00 43.61 C ATOM 273 O GLY A 36 5.394 -32.392 -12.234 1.00 44.37 O ATOM 274 HA3 GLY A 36 4.677 -34.857 -11.650 1.00 0.00 H ATOM 275 HA2 GLY A 36 4.803 -34.085 -10.052 1.00 0.00 H ATOM 276 H GLY A 36 2.494 -34.364 -9.741 1.00 0.00 H ATOM 277 N ILE A 37 3.299 -31.966 -11.528 1.00 38.85 N ATOM 278 CA ILE A 37 3.238 -30.638 -12.124 1.00 46.08 C ATOM 279 C ILE A 37 3.543 -29.557 -11.068 1.00 44.20 C ATOM 280 O ILE A 37 3.005 -29.605 -9.974 1.00 43.21 O ATOM 281 CB ILE A 37 1.842 -30.418 -12.761 1.00 40.31 C ATOM 282 CG1 ILE A 37 1.743 -31.271 -14.045 1.00 46.70 C ATOM 283 CG2 ILE A 37 1.596 -28.933 -13.032 1.00 37.84 C ATOM 284 CD1 ILE A 37 0.372 -31.306 -14.703 1.00 52.68 C ATOM 285 HA ILE A 37 3.994 -30.560 -12.905 1.00 0.00 H ATOM 286 HB ILE A 37 1.061 -30.738 -12.071 1.00 0.00 H ATOM 287 HG12 ILE A 37 2.453 -30.872 -14.769 1.00 0.00 H ATOM 288 HG13 ILE A 37 2.020 -32.294 -13.791 1.00 0.00 H ATOM 289 HD11 ILE A 37 -0.355 -31.717 -14.003 1.00 0.00 H ATOM 290 HD12 ILE A 37 0.078 -30.294 -14.982 1.00 0.00 H ATOM 291 HD13 ILE A 37 0.414 -31.932 -15.594 1.00 0.00 H ATOM 292 HG21 ILE A 37 1.645 -28.381 -12.094 1.00 0.00 H ATOM 293 HG22 ILE A 37 2.358 -28.559 -13.716 1.00 0.00 H ATOM 294 HG23 ILE A 37 0.610 -28.805 -13.479 1.00 0.00 H ATOM 295 H ILE A 37 2.481 -32.312 -10.987 1.00 0.00 H ATOM 296 N ASN A 38 4.425 -28.611 -11.393 1.00 32.22 N ATOM 297 CA ASN A 38 4.692 -27.484 -10.516 1.00 33.27 C ATOM 298 C ASN A 38 3.479 -26.601 -10.342 1.00 33.85 C ATOM 299 O ASN A 38 2.829 -26.243 -11.318 1.00 38.14 O ATOM 300 CB ASN A 38 5.803 -26.630 -11.091 1.00 33.95 C ATOM 301 CG ASN A 38 7.124 -27.293 -10.983 1.00 45.99 C ATOM 302 OD1 ASN A 38 7.406 -27.969 -9.983 1.00 47.55 O ATOM 303 ND2 ASN A 38 7.960 -27.129 -12.014 1.00 57.01 N ATOM 304 HA ASN A 38 4.974 -27.899 -9.549 1.00 0.00 H ATOM 305 HB2 ASN A 38 5.591 -26.437 -12.142 1.00 0.00 H ATOM 306 HB3 ASN A 38 5.838 -25.685 -10.549 1.00 0.00 H ATOM 307 HD22 ASN A 38 7.673 -26.551 -12.829 1.00 0.00 H ATOM 308 HD21 ASN A 38 8.897 -27.580 -12.000 1.00 0.00 H ATOM 309 H ASN A 38 4.934 -28.682 -12.297 1.00 0.00 H ATOM 310 N GLU A 39 3.180 -26.255 -9.094 1.00 30.81 N ATOM 311 CA GLU A 39 2.136 -25.294 -8.768 1.00 29.63 C ATOM 312 C GLU A 39 2.762 -24.148 -7.965 1.00 31.08 C ATOM 313 O GLU A 39 3.699 -24.367 -7.209 1.00 34.59 O ATOM 314 CB GLU A 39 1.027 -25.973 -7.979 1.00 33.25 C ATOM 315 CG GLU A 39 0.110 -26.843 -8.814 1.00 39.40 C ATOM 316 CD GLU A 39 -0.879 -27.642 -7.966 1.00 46.16 C ATOM 317 OE1 GLU A 39 -0.696 -27.708 -6.735 1.00 44.80 O ATOM 318 OE2 GLU A 39 -1.847 -28.212 -8.519 1.00 54.48 O ATOM 319 HA GLU A 39 1.694 -24.894 -9.681 1.00 0.00 H ATOM 320 HB2 GLU A 39 1.486 -26.598 -7.213 1.00 0.00 H ATOM 321 HB3 GLU A 39 0.424 -25.200 -7.503 1.00 0.00 H ATOM 322 HG2 GLU A 39 -0.451 -26.204 -9.496 1.00 0.00 H ATOM 323 HG3 GLU A 39 0.719 -27.540 -9.390 1.00 0.00 H ATOM 324 H GLU A 39 3.716 -26.690 -8.316 1.00 0.00 H ATOM 325 N TYR A 40 2.240 -22.933 -8.144 1.00 27.82 N ATOM 326 CA TYR A 40 2.853 -21.716 -7.614 1.00 29.67 C ATOM 327 C TYR A 40 1.809 -20.994 -6.824 1.00 27.80 C ATOM 328 O TYR A 40 0.642 -20.918 -7.237 1.00 28.98 O ATOM 329 CB TYR A 40 3.391 -20.812 -8.748 1.00 27.93 C ATOM 330 CG TYR A 40 4.471 -21.508 -9.533 1.00 37.92 C ATOM 331 CD1 TYR A 40 5.806 -21.366 -9.189 1.00 39.72 C ATOM 332 CD2 TYR A 40 4.148 -22.364 -10.598 1.00 26.33 C ATOM 333 CE1 TYR A 40 6.807 -22.038 -9.896 1.00 35.69 C ATOM 334 CE2 TYR A 40 5.136 -23.036 -11.302 1.00 23.92 C ATOM 335 CZ TYR A 40 6.462 -22.878 -10.947 1.00 28.63 C ATOM 336 OH TYR A 40 7.453 -23.553 -11.646 1.00 31.07 O ATOM 337 HA TYR A 40 3.705 -21.976 -6.986 1.00 0.00 H ATOM 338 HB3 TYR A 40 3.799 -19.900 -8.313 1.00 0.00 H ATOM 339 HB2 TYR A 40 2.571 -20.557 -9.419 1.00 0.00 H ATOM 340 HD2 TYR A 40 3.103 -22.503 -10.876 1.00 0.00 H ATOM 341 HE2 TYR A 40 4.867 -23.687 -12.134 1.00 0.00 H ATOM 342 HE1 TYR A 40 7.854 -21.903 -9.624 1.00 0.00 H ATOM 343 HD1 TYR A 40 6.079 -20.720 -8.354 1.00 0.00 H ATOM 344 HH TYR A 40 8.338 -23.327 -11.263 1.00 0.00 H ATOM 345 H TYR A 40 1.356 -22.848 -8.686 1.00 0.00 H ATOM 346 N TYR A 41 2.219 -20.488 -5.666 1.00 28.68 N ATOM 347 CA TYR A 41 1.284 -19.814 -4.759 1.00 26.72 C ATOM 348 C TYR A 41 1.246 -18.345 -5.129 1.00 22.92 C ATOM 349 O TYR A 41 2.233 -17.619 -4.961 1.00 31.88 O ATOM 350 CB TYR A 41 1.698 -20.021 -3.287 1.00 30.44 C ATOM 351 CG TYR A 41 0.606 -19.708 -2.284 1.00 38.98 C ATOM 352 CD1 TYR A 41 -0.698 -20.161 -2.484 1.00 39.26 C ATOM 353 CD2 TYR A 41 0.875 -18.965 -1.125 1.00 35.47 C ATOM 354 CE1 TYR A 41 -1.700 -19.884 -1.566 1.00 40.89 C ATOM 355 CE2 TYR A 41 -0.131 -18.673 -0.209 1.00 36.02 C ATOM 356 CZ TYR A 41 -1.413 -19.141 -0.432 1.00 38.36 C ATOM 357 OH TYR A 41 -2.426 -18.862 0.468 1.00 36.43 O ATOM 358 HA TYR A 41 0.286 -20.240 -4.863 1.00 0.00 H ATOM 359 HB3 TYR A 41 2.550 -19.375 -3.077 1.00 0.00 H ATOM 360 HB2 TYR A 41 1.993 -21.062 -3.158 1.00 0.00 H ATOM 361 HD2 TYR A 41 1.889 -18.611 -0.939 1.00 0.00 H ATOM 362 HE2 TYR A 41 0.090 -18.079 0.678 1.00 0.00 H ATOM 363 HE1 TYR A 41 -2.712 -20.250 -1.736 1.00 0.00 H ATOM 364 HD1 TYR A 41 -0.933 -20.742 -3.376 1.00 0.00 H ATOM 365 HH TYR A 41 -3.269 -19.272 0.151 1.00 0.00 H ATOM 366 H TYR A 41 3.220 -20.571 -5.398 1.00 0.00 H ATOM 367 N ILE A 42 0.098 -17.913 -5.638 1.00 22.08 N ATOM 368 CA ILE A 42 -0.040 -16.576 -6.199 1.00 26.01 C ATOM 369 C ILE A 42 -0.695 -15.531 -5.269 1.00 27.00 C ATOM 370 O ILE A 42 -1.781 -15.738 -4.707 1.00 29.12 O ATOM 371 CB ILE A 42 -0.831 -16.618 -7.587 1.00 21.94 C ATOM 372 CG1 ILE A 42 -0.200 -17.647 -8.545 1.00 21.30 C ATOM 373 CG2 ILE A 42 -0.901 -15.204 -8.199 1.00 30.29 C ATOM 374 CD1 ILE A 42 1.298 -17.493 -8.743 1.00 24.28 C ATOM 375 HA ILE A 42 0.987 -16.242 -6.347 1.00 0.00 H ATOM 376 HB ILE A 42 -1.855 -16.946 -7.408 1.00 0.00 H ATOM 377 HG12 ILE A 42 -0.390 -18.644 -8.146 1.00 0.00 H ATOM 378 HG13 ILE A 42 -0.683 -17.548 -9.517 1.00 0.00 H ATOM 379 HD11 ILE A 42 1.509 -16.506 -9.155 1.00 0.00 H ATOM 380 HD12 ILE A 42 1.803 -17.603 -7.783 1.00 0.00 H ATOM 381 HD13 ILE A 42 1.653 -18.260 -9.432 1.00 0.00 H ATOM 382 HG21 ILE A 42 -1.420 -14.537 -7.511 1.00 0.00 H ATOM 383 HG22 ILE A 42 0.110 -14.834 -8.373 1.00 0.00 H ATOM 384 HG23 ILE A 42 -1.442 -15.245 -9.144 1.00 0.00 H ATOM 385 H ILE A 42 -0.726 -18.547 -5.636 1.00 0.00 H ATOM 386 N LYS A 43 -0.009 -14.402 -5.130 1.00 28.98 N ATOM 387 CA LYS A 43 -0.628 -13.196 -4.616 1.00 34.74 C ATOM 388 C LYS A 43 -1.225 -12.396 -5.786 1.00 33.89 C ATOM 389 O LYS A 43 -0.512 -11.924 -6.659 1.00 33.35 O ATOM 390 CB LYS A 43 0.395 -12.344 -3.869 1.00 38.05 C ATOM 391 CG LYS A 43 -0.187 -11.050 -3.352 1.00 40.32 C ATOM 392 CD LYS A 43 -1.203 -11.317 -2.289 1.00 42.49 C ATOM 393 CE LYS A 43 -2.302 -10.275 -2.304 1.00 57.68 C ATOM 394 NZ LYS A 43 -1.852 -8.897 -2.601 1.00 50.26 N ATOM 395 HA LYS A 43 -1.419 -13.471 -3.918 1.00 0.00 H ATOM 396 HB2 LYS A 43 0.775 -12.917 -3.024 1.00 0.00 H ATOM 397 HB3 LYS A 43 1.216 -12.111 -4.547 1.00 0.00 H ATOM 398 HG2 LYS A 43 0.613 -10.438 -2.937 1.00 0.00 H ATOM 399 HG3 LYS A 43 -0.662 -10.516 -4.175 1.00 0.00 H ATOM 400 HD2 LYS A 43 -1.643 -12.300 -2.457 1.00 0.00 H ATOM 401 HD3 LYS A 43 -0.712 -11.302 -1.316 1.00 0.00 H ATOM 402 HE2 LYS A 43 -2.779 -10.272 -1.324 1.00 0.00 H ATOM 403 HE3 LYS A 43 -3.032 -10.563 -3.061 1.00 0.00 H ATOM 404 HZ1 LYS A 43 -1.164 -8.596 -1.882 1.00 0.00 H ATOM 405 HZ2 LYS A 43 -1.406 -8.874 -3.540 1.00 0.00 H ATOM 406 HZ3 LYS A 43 -2.671 -8.256 -2.589 1.00 0.00 H ATOM 407 H LYS A 43 0.996 -14.383 -5.396 1.00 0.00 H ATOM 408 N TRP A 44 -2.539 -12.249 -5.792 1.00 32.56 N ATOM 409 CA TRP A 44 -3.226 -11.593 -6.895 1.00 38.43 C ATOM 410 C TRP A 44 -3.305 -10.078 -6.640 1.00 49.49 C ATOM 411 O TRP A 44 -3.834 -9.648 -5.619 1.00 40.57 O ATOM 412 CB TRP A 44 -4.627 -12.204 -7.049 1.00 30.47 C ATOM 413 CG TRP A 44 -4.612 -13.687 -7.436 1.00 37.44 C ATOM 414 CD1 TRP A 44 -4.875 -14.754 -6.621 1.00 34.26 C ATOM 415 CD2 TRP A 44 -4.322 -14.246 -8.747 1.00 32.16 C ATOM 416 NE1 TRP A 44 -4.779 -15.939 -7.339 1.00 36.01 N ATOM 417 CE2 TRP A 44 -4.435 -15.652 -8.640 1.00 31.48 C ATOM 418 CE3 TRP A 44 -3.975 -13.687 -9.992 1.00 36.68 C ATOM 419 CZ2 TRP A 44 -4.200 -16.517 -9.730 1.00 42.58 C ATOM 420 CZ3 TRP A 44 -3.754 -14.552 -11.091 1.00 37.81 C ATOM 421 CH2 TRP A 44 -3.869 -15.946 -10.949 1.00 31.13 C ATOM 422 HA TRP A 44 -2.673 -11.747 -7.822 1.00 0.00 H ATOM 423 HB2 TRP A 44 -5.154 -12.101 -6.101 1.00 0.00 H ATOM 424 HB3 TRP A 44 -5.161 -11.651 -7.822 1.00 0.00 H ATOM 425 HE1 TRP A 44 -4.941 -16.892 -6.955 1.00 0.00 H ATOM 426 HD1 TRP A 44 -5.124 -14.684 -5.562 1.00 0.00 H ATOM 427 HZ2 TRP A 44 -4.276 -17.598 -9.617 1.00 0.00 H ATOM 428 HH2 TRP A 44 -3.695 -16.589 -11.812 1.00 0.00 H ATOM 429 HZ3 TRP A 44 -3.491 -14.131 -12.061 1.00 0.00 H ATOM 430 HE3 TRP A 44 -3.878 -12.607 -10.108 1.00 0.00 H ATOM 431 H TRP A 44 -3.094 -12.610 -4.990 1.00 0.00 H ATOM 432 N ALA A 45 -2.765 -9.273 -7.555 1.00 45.94 N ATOM 433 CA ALA A 45 -2.808 -7.819 -7.403 1.00 47.20 C ATOM 434 C ALA A 45 -4.225 -7.401 -7.056 1.00 50.45 C ATOM 435 O ALA A 45 -5.180 -7.769 -7.753 1.00 42.17 O ATOM 436 CB ALA A 45 -2.358 -7.113 -8.697 1.00 42.05 C ATOM 437 HA ALA A 45 -2.125 -7.528 -6.605 1.00 0.00 H ATOM 438 HB1 ALA A 45 -1.336 -7.409 -8.935 1.00 0.00 H ATOM 439 HB2 ALA A 45 -3.020 -7.399 -9.514 1.00 0.00 H ATOM 440 HB3 ALA A 45 -2.400 -6.033 -8.554 1.00 0.00 H ATOM 441 H ALA A 45 -2.305 -9.686 -8.391 1.00 0.00 H ATOM 442 N GLY A 46 -4.375 -6.636 -5.980 1.00 54.50 N ATOM 443 CA GLY A 46 -5.677 -6.082 -5.643 1.00 58.54 C ATOM 444 C GLY A 46 -6.603 -7.023 -4.890 1.00 60.38 C ATOM 445 O GLY A 46 -7.780 -6.740 -4.723 1.00 68.91 O ATOM 446 HA3 GLY A 46 -6.171 -5.792 -6.570 1.00 0.00 H ATOM 447 HA2 GLY A 46 -5.518 -5.198 -5.025 1.00 0.00 H ATOM 448 H GLY A 46 -3.555 -6.432 -5.374 1.00 0.00 H ATOM 449 N TYR A 47 -6.074 -8.151 -4.440 1.00 49.95 N ATOM 450 CA TYR A 47 -6.848 -9.111 -3.670 1.00 45.48 C ATOM 451 C TYR A 47 -6.052 -9.412 -2.400 1.00 51.85 C ATOM 452 O TYR A 47 -4.819 -9.336 -2.409 1.00 51.36 O ATOM 453 CB TYR A 47 -7.102 -10.379 -4.494 1.00 43.24 C ATOM 454 CG TYR A 47 -8.119 -10.160 -5.597 1.00 50.31 C ATOM 455 CD1 TYR A 47 -9.467 -10.444 -5.392 1.00 53.89 C ATOM 456 CD2 TYR A 47 -7.737 -9.637 -6.829 1.00 53.12 C ATOM 457 CE1 TYR A 47 -10.405 -10.225 -6.392 1.00 61.83 C ATOM 458 CE2 TYR A 47 -8.663 -9.415 -7.835 1.00 57.66 C ATOM 459 CZ TYR A 47 -9.995 -9.709 -7.612 1.00 61.24 C ATOM 460 OH TYR A 47 -10.924 -9.487 -8.603 1.00 58.83 O ATOM 461 HA TYR A 47 -7.827 -8.710 -3.409 1.00 0.00 H ATOM 462 HB3 TYR A 47 -7.470 -11.161 -3.829 1.00 0.00 H ATOM 463 HB2 TYR A 47 -6.162 -10.699 -4.943 1.00 0.00 H ATOM 464 HD2 TYR A 47 -6.688 -9.397 -7.006 1.00 0.00 H ATOM 465 HE2 TYR A 47 -8.343 -9.011 -8.796 1.00 0.00 H ATOM 466 HE1 TYR A 47 -11.456 -10.457 -6.219 1.00 0.00 H ATOM 467 HD1 TYR A 47 -9.791 -10.845 -4.431 1.00 0.00 H ATOM 468 HH TYR A 47 -11.821 -9.750 -8.278 1.00 0.00 H ATOM 469 H TYR A 47 -5.075 -8.356 -4.644 1.00 0.00 H ATOM 470 N ASP A 48 -6.738 -9.709 -1.299 1.00 48.79 N ATOM 471 CA ASP A 48 -6.033 -9.906 -0.031 1.00 49.41 C ATOM 472 C ASP A 48 -5.482 -11.335 0.046 1.00 46.24 C ATOM 473 O ASP A 48 -5.840 -12.188 -0.781 1.00 49.55 O ATOM 474 CB ASP A 48 -6.912 -9.529 1.186 1.00 41.37 C ATOM 475 CG ASP A 48 -8.197 -10.343 1.283 1.00 46.30 C ATOM 476 OD1 ASP A 48 -8.256 -11.455 0.715 1.00 43.43 O ATOM 477 OD2 ASP A 48 -9.140 -9.874 1.978 1.00 49.00 O ATOM 478 HA ASP A 48 -5.183 -9.224 0.005 1.00 0.00 H ATOM 479 HB2 ASP A 48 -6.332 -9.690 2.094 1.00 0.00 H ATOM 480 HB3 ASP A 48 -7.176 -8.474 1.108 1.00 0.00 H ATOM 481 H ASP A 48 -7.773 -9.801 -1.339 1.00 0.00 H ATOM 482 N TRP A 49 -4.601 -11.573 1.017 1.00 38.74 N ATOM 483 CA TRP A 49 -3.878 -12.851 1.168 1.00 39.17 C ATOM 484 C TRP A 49 -4.755 -14.083 1.388 1.00 46.32 C ATOM 485 O TRP A 49 -4.270 -15.219 1.291 1.00 50.52 O ATOM 486 CB TRP A 49 -2.874 -12.743 2.327 1.00 43.43 C ATOM 487 CG TRP A 49 -1.662 -11.944 1.950 1.00 47.30 C ATOM 488 CD1 TRP A 49 -1.595 -10.591 1.765 1.00 50.49 C ATOM 489 CD2 TRP A 49 -0.348 -12.454 1.670 1.00 45.71 C ATOM 490 NE1 TRP A 49 -0.319 -10.228 1.402 1.00 50.51 N ATOM 491 CE2 TRP A 49 0.462 -11.354 1.331 1.00 44.27 C ATOM 492 CE3 TRP A 49 0.225 -13.732 1.703 1.00 45.15 C ATOM 493 CZ2 TRP A 49 1.813 -11.491 1.034 1.00 51.42 C ATOM 494 CZ3 TRP A 49 1.561 -13.868 1.393 1.00 51.74 C ATOM 495 CH2 TRP A 49 2.343 -12.754 1.062 1.00 56.60 C ATOM 496 HA TRP A 49 -3.383 -13.007 0.209 1.00 0.00 H ATOM 497 HB2 TRP A 49 -3.364 -12.261 3.173 1.00 0.00 H ATOM 498 HB3 TRP A 49 -2.559 -13.746 2.614 1.00 0.00 H ATOM 499 HE1 TRP A 49 0.002 -9.257 1.212 1.00 0.00 H ATOM 500 HD1 TRP A 49 -2.430 -9.901 1.887 1.00 0.00 H ATOM 501 HZ2 TRP A 49 2.428 -10.625 0.788 1.00 0.00 H ATOM 502 HH2 TRP A 49 3.397 -12.895 0.821 1.00 0.00 H ATOM 503 HZ3 TRP A 49 2.016 -14.858 1.406 1.00 0.00 H ATOM 504 HE3 TRP A 49 -0.375 -14.603 1.969 1.00 0.00 H ATOM 505 H TRP A 49 -4.413 -10.817 1.706 1.00 0.00 H ATOM 506 N TYR A 50 -6.034 -13.871 1.701 1.00 43.88 N ATOM 507 CA TYR A 50 -6.986 -14.981 1.824 1.00 41.99 C ATOM 508 C TYR A 50 -7.465 -15.436 0.452 1.00 33.91 C ATOM 509 O TYR A 50 -8.142 -16.450 0.349 1.00 39.95 O ATOM 510 CB TYR A 50 -8.176 -14.561 2.694 1.00 57.28 C ATOM 511 CG TYR A 50 -7.723 -13.858 3.964 1.00 76.47 C ATOM 512 CD1 TYR A 50 -7.359 -14.589 5.092 1.00 82.61 C ATOM 513 CD2 TYR A 50 -7.614 -12.472 4.018 1.00 81.38 C ATOM 514 CE1 TYR A 50 -6.924 -13.965 6.240 1.00 90.45 C ATOM 515 CE2 TYR A 50 -7.172 -11.836 5.160 1.00 89.18 C ATOM 516 CZ TYR A 50 -6.831 -12.589 6.271 1.00 95.07 C ATOM 517 OH TYR A 50 -6.396 -11.967 7.421 1.00 97.45 O ATOM 518 HA TYR A 50 -6.479 -15.819 2.302 1.00 0.00 H ATOM 519 HB3 TYR A 50 -8.746 -15.449 2.966 1.00 0.00 H ATOM 520 HB2 TYR A 50 -8.811 -13.884 2.122 1.00 0.00 H ATOM 521 HD2 TYR A 50 -7.882 -11.879 3.144 1.00 0.00 H ATOM 522 HE2 TYR A 50 -7.092 -10.749 5.187 1.00 0.00 H ATOM 523 HE1 TYR A 50 -6.655 -14.554 7.117 1.00 0.00 H ATOM 524 HD1 TYR A 50 -7.420 -15.677 5.066 1.00 0.00 H ATOM 525 HH TYR A 50 -6.197 -12.650 8.109 1.00 0.00 H ATOM 526 H TYR A 50 -6.364 -12.898 1.861 1.00 0.00 H ATOM 527 N ASP A 51 -7.137 -14.660 -0.586 1.00 34.85 N ATOM 528 CA ASP A 51 -7.497 -14.988 -1.974 1.00 44.36 C ATOM 529 C ASP A 51 -6.379 -15.710 -2.739 1.00 35.62 C ATOM 530 O ASP A 51 -6.547 -16.052 -3.905 1.00 39.61 O ATOM 531 CB ASP A 51 -7.854 -13.713 -2.732 1.00 46.96 C ATOM 532 CG ASP A 51 -9.076 -13.049 -2.185 1.00 46.81 C ATOM 533 OD1 ASP A 51 -9.638 -13.584 -1.213 1.00 50.36 O ATOM 534 OD2 ASP A 51 -9.474 -12.005 -2.727 1.00 53.07 O ATOM 535 HA ASP A 51 -8.349 -15.666 -1.915 1.00 0.00 H ATOM 536 HB2 ASP A 51 -7.017 -13.018 -2.663 1.00 0.00 H ATOM 537 HB3 ASP A 51 -8.030 -13.965 -3.778 1.00 0.00 H ATOM 538 H ASP A 51 -6.604 -13.786 -0.404 1.00 0.00 H ATOM 539 N ASN A 52 -5.234 -15.886 -2.083 1.00 35.02 N ATOM 540 CA ASN A 52 -4.086 -16.517 -2.691 1.00 26.85 C ATOM 541 C ASN A 52 -4.495 -17.903 -3.125 1.00 29.85 C ATOM 542 O ASN A 52 -5.304 -18.540 -2.455 1.00 32.34 O ATOM 543 CB ASN A 52 -2.911 -16.610 -1.699 1.00 19.04 C ATOM 544 CG ASN A 52 -2.178 -15.293 -1.526 1.00 22.99 C ATOM 545 OD1 ASN A 52 -2.726 -14.201 -1.770 1.00 31.52 O ATOM 546 ND2 ASN A 52 -0.918 -15.386 -1.086 1.00 24.88 N ATOM 547 HA ASN A 52 -3.754 -15.923 -3.543 1.00 0.00 H ATOM 548 HB2 ASN A 52 -3.298 -16.923 -0.729 1.00 0.00 H ATOM 549 HB3 ASN A 52 -2.205 -17.356 -2.065 1.00 0.00 H ATOM 550 HD22 ASN A 52 -0.501 -16.320 -0.895 1.00 0.00 H ATOM 551 HD21 ASN A 52 -0.355 -14.525 -0.935 1.00 0.00 H ATOM 552 H ASN A 52 -5.164 -15.558 -1.099 1.00 0.00 H ATOM 553 N THR A 53 -3.946 -18.361 -4.252 1.00 29.98 N ATOM 554 CA THR A 53 -4.276 -19.677 -4.783 1.00 27.92 C ATOM 555 C THR A 53 -3.022 -20.349 -5.312 1.00 30.76 C ATOM 556 O THR A 53 -2.071 -19.677 -5.700 1.00 26.86 O ATOM 557 CB THR A 53 -5.404 -19.612 -5.886 1.00 40.28 C ATOM 558 OG1 THR A 53 -5.013 -18.785 -7.002 1.00 24.47 O ATOM 559 CG2 THR A 53 -6.703 -19.074 -5.288 1.00 33.81 C ATOM 560 HA THR A 53 -4.680 -20.276 -3.967 1.00 0.00 H ATOM 561 HB THR A 53 -5.559 -20.628 -6.250 1.00 0.00 H ATOM 562 HG1 THR A 53 -5.743 -18.768 -7.671 1.00 0.00 H ATOM 563 HG23 THR A 53 -6.999 -19.698 -4.445 1.00 0.00 H ATOM 564 HG21 THR A 53 -6.548 -18.050 -4.947 1.00 0.00 H ATOM 565 HG22 THR A 53 -7.485 -19.091 -6.047 1.00 0.00 H ATOM 566 H THR A 53 -3.266 -17.764 -4.764 1.00 0.00 H ATOM 567 N TRP A 54 -3.011 -21.677 -5.270 1.00 38.93 N ATOM 568 CA TRP A 54 -1.993 -22.464 -5.958 1.00 41.66 C ATOM 569 C TRP A 54 -2.410 -22.664 -7.421 1.00 43.88 C ATOM 570 O TRP A 54 -3.516 -23.140 -7.683 1.00 36.27 O ATOM 571 CB TRP A 54 -1.848 -23.830 -5.288 1.00 39.06 C ATOM 572 CG TRP A 54 -1.255 -23.727 -3.919 1.00 38.03 C ATOM 573 CD1 TRP A 54 -1.931 -23.607 -2.722 1.00 32.65 C ATOM 574 CD2 TRP A 54 0.146 -23.694 -3.596 1.00 30.71 C ATOM 575 NE1 TRP A 54 -1.031 -23.516 -1.684 1.00 33.68 N ATOM 576 CE2 TRP A 54 0.244 -23.557 -2.186 1.00 26.89 C ATOM 577 CE3 TRP A 54 1.324 -23.738 -4.363 1.00 24.27 C ATOM 578 CZ2 TRP A 54 1.475 -23.496 -1.533 1.00 21.75 C ATOM 579 CZ3 TRP A 54 2.544 -23.680 -3.710 1.00 30.26 C ATOM 580 CH2 TRP A 54 2.607 -23.575 -2.303 1.00 33.48 C ATOM 581 HA TRP A 54 -1.041 -21.936 -5.911 1.00 0.00 H ATOM 582 HB2 TRP A 54 -2.833 -24.290 -5.211 1.00 0.00 H ATOM 583 HB3 TRP A 54 -1.203 -24.457 -5.904 1.00 0.00 H ATOM 584 HE1 TRP A 54 -1.279 -23.430 -0.678 1.00 0.00 H ATOM 585 HD1 TRP A 54 -3.015 -23.587 -2.614 1.00 0.00 H ATOM 586 HZ2 TRP A 54 1.535 -23.389 -0.450 1.00 0.00 H ATOM 587 HH2 TRP A 54 3.582 -23.556 -1.816 1.00 0.00 H ATOM 588 HZ3 TRP A 54 3.467 -23.716 -4.289 1.00 0.00 H ATOM 589 HE3 TRP A 54 1.278 -23.816 -5.449 1.00 0.00 H ATOM 590 H TRP A 54 -3.750 -22.171 -4.730 1.00 0.00 H ATOM 591 N GLU A 55 -1.541 -22.299 -8.365 1.00 33.32 N ATOM 592 CA GLU A 55 -1.856 -22.482 -9.794 1.00 30.95 C ATOM 593 C GLU A 55 -0.796 -23.333 -10.442 1.00 29.76 C ATOM 594 O GLU A 55 0.393 -23.154 -10.160 1.00 21.36 O ATOM 595 CB GLU A 55 -1.948 -21.148 -10.565 1.00 27.70 C ATOM 596 CG GLU A 55 -2.975 -20.109 -10.051 1.00 26.38 C ATOM 597 CD GLU A 55 -4.379 -20.675 -9.927 1.00 38.66 C ATOM 598 OE1 GLU A 55 -4.627 -21.739 -10.534 1.00 35.26 O ATOM 599 OE2 GLU A 55 -5.231 -20.073 -9.217 1.00 33.85 O ATOM 600 HA GLU A 55 -2.833 -22.964 -9.839 1.00 0.00 H ATOM 601 HB2 GLU A 55 -0.964 -20.681 -10.534 1.00 0.00 H ATOM 602 HB3 GLU A 55 -2.205 -21.382 -11.598 1.00 0.00 H ATOM 603 HG2 GLU A 55 -2.654 -19.758 -9.070 1.00 0.00 H ATOM 604 HG3 GLU A 55 -2.998 -19.270 -10.746 1.00 0.00 H ATOM 605 H GLU A 55 -0.630 -21.880 -8.090 1.00 0.00 H ATOM 606 N PRO A 56 -1.218 -24.245 -11.339 1.00 32.86 N ATOM 607 CA PRO A 56 -0.252 -25.028 -12.119 1.00 31.20 C ATOM 608 C PRO A 56 0.536 -24.112 -13.033 1.00 27.86 C ATOM 609 O PRO A 56 0.054 -23.041 -13.405 1.00 31.43 O ATOM 610 CB PRO A 56 -1.143 -25.973 -12.940 1.00 36.84 C ATOM 611 CG PRO A 56 -2.455 -25.233 -13.096 1.00 36.80 C ATOM 612 CD PRO A 56 -2.615 -24.546 -11.728 1.00 37.40 C ATOM 613 HA PRO A 56 0.476 -25.558 -11.505 1.00 0.00 H ATOM 614 HD3 PRO A 56 -3.203 -23.632 -11.815 1.00 0.00 H ATOM 615 HD2 PRO A 56 -3.087 -25.213 -11.007 1.00 0.00 H ATOM 616 HG3 PRO A 56 -3.276 -25.923 -13.289 1.00 0.00 H ATOM 617 HG2 PRO A 56 -2.401 -24.500 -13.901 1.00 0.00 H ATOM 618 HB2 PRO A 56 -0.696 -26.172 -13.914 1.00 0.00 H ATOM 619 HB3 PRO A 56 -1.294 -26.914 -12.412 1.00 0.00 H ATOM 620 N GLU A 57 1.740 -24.529 -13.392 1.00 28.57 N ATOM 621 CA GLU A 57 2.624 -23.727 -14.235 1.00 38.77 C ATOM 622 C GLU A 57 1.986 -23.168 -15.523 1.00 40.91 C ATOM 623 O GLU A 57 2.253 -22.027 -15.910 1.00 45.92 O ATOM 624 CB GLU A 57 3.839 -24.554 -14.617 1.00 42.43 C ATOM 625 CG GLU A 57 4.829 -23.759 -15.379 1.00 46.23 C ATOM 626 CD GLU A 57 6.230 -24.181 -15.088 1.00 46.15 C ATOM 627 OE1 GLU A 57 7.128 -23.869 -15.899 1.00 45.86 O ATOM 628 OE2 GLU A 57 6.428 -24.825 -14.041 1.00 50.16 O ATOM 629 HA GLU A 57 2.884 -22.859 -13.629 1.00 0.00 H ATOM 630 HB2 GLU A 57 4.311 -24.928 -13.709 1.00 0.00 H ATOM 631 HB3 GLU A 57 3.515 -25.395 -15.230 1.00 0.00 H ATOM 632 HG2 GLU A 57 4.637 -23.886 -16.444 1.00 0.00 H ATOM 633 HG3 GLU A 57 4.716 -22.708 -15.114 1.00 0.00 H ATOM 634 H GLU A 57 2.068 -25.459 -13.063 1.00 0.00 H ATOM 635 N GLN A 58 1.158 -23.960 -16.197 1.00 41.09 N ATOM 636 CA GLN A 58 0.484 -23.480 -17.412 1.00 47.62 C ATOM 637 C GLN A 58 -0.391 -22.224 -17.191 1.00 43.12 C ATOM 638 O GLN A 58 -0.506 -21.370 -18.086 1.00 32.39 O ATOM 639 CB GLN A 58 -0.359 -24.594 -18.021 1.00 58.67 C ATOM 640 CG GLN A 58 -1.538 -24.973 -17.162 1.00 72.83 C ATOM 641 CD GLN A 58 -2.350 -26.134 -17.727 1.00 78.70 C ATOM 642 OE1 GLN A 58 -2.390 -26.373 -18.950 1.00 70.20 O ATOM 643 NE2 GLN A 58 -3.015 -26.862 -16.830 1.00 75.09 N ATOM 644 HA GLN A 58 1.278 -23.185 -18.097 1.00 0.00 H ATOM 645 HB2 GLN A 58 -0.728 -24.261 -18.991 1.00 0.00 H ATOM 646 HB3 GLN A 58 0.271 -25.473 -18.156 1.00 0.00 H ATOM 647 HG2 GLN A 58 -1.171 -25.256 -16.175 1.00 0.00 H ATOM 648 HG3 GLN A 58 -2.192 -24.106 -17.070 1.00 0.00 H ATOM 649 HE22 GLN A 58 -2.952 -26.626 -15.819 1.00 0.00 H ATOM 650 HE21 GLN A 58 -3.597 -27.666 -17.141 1.00 0.00 H ATOM 651 H GLN A 58 0.985 -24.929 -15.861 1.00 0.00 H ATOM 652 N ASN A 59 -1.002 -22.082 -16.013 1.00 31.69 N ATOM 653 CA ASN A 59 -1.861 -20.927 -15.801 1.00 26.00 C ATOM 654 C ASN A 59 -1.060 -19.628 -15.776 1.00 25.70 C ATOM 655 O ASN A 59 -1.634 -18.539 -15.735 1.00 33.88 O ATOM 656 CB ASN A 59 -2.664 -21.076 -14.503 1.00 33.04 C ATOM 657 CG ASN A 59 -3.860 -21.989 -14.653 1.00 42.24 C ATOM 658 OD1 ASN A 59 -4.035 -22.642 -15.690 1.00 46.17 O ATOM 659 ND2 ASN A 59 -4.702 -22.036 -13.622 1.00 36.61 N ATOM 660 HA ASN A 59 -2.554 -20.880 -16.641 1.00 0.00 H ATOM 661 HB2 ASN A 59 -2.009 -21.484 -13.733 1.00 0.00 H ATOM 662 HB3 ASN A 59 -3.014 -20.091 -14.195 1.00 0.00 H ATOM 663 HD22 ASN A 59 -4.514 -21.469 -12.771 1.00 0.00 H ATOM 664 HD21 ASN A 59 -5.548 -22.639 -13.668 1.00 0.00 H ATOM 665 H ASN A 59 -0.866 -22.785 -15.259 1.00 0.00 H ATOM 666 N LEU A 60 0.266 -19.740 -15.768 1.00 20.52 N ATOM 667 CA LEU A 60 1.128 -18.551 -15.658 1.00 27.99 C ATOM 668 C LEU A 60 1.601 -18.066 -17.049 1.00 41.68 C ATOM 669 O LEU A 60 2.601 -17.364 -17.154 1.00 36.23 O ATOM 670 CB LEU A 60 2.326 -18.837 -14.723 1.00 35.57 C ATOM 671 CG LEU A 60 2.075 -18.562 -13.194 1.00 41.28 C ATOM 672 CD1 LEU A 60 0.768 -19.195 -12.668 1.00 32.23 C ATOM 673 CD2 LEU A 60 3.250 -19.025 -12.335 1.00 29.85 C ATOM 674 HA LEU A 60 0.540 -17.745 -15.220 1.00 0.00 H ATOM 675 HB2 LEU A 60 2.596 -19.887 -14.835 1.00 0.00 H ATOM 676 HB3 LEU A 60 3.159 -18.212 -15.044 1.00 0.00 H ATOM 677 HG LEU A 60 1.974 -17.480 -13.110 1.00 0.00 H ATOM 678 HD21 LEU A 60 3.398 -20.096 -12.471 1.00 0.00 H ATOM 679 HD22 LEU A 60 4.151 -18.491 -12.636 1.00 0.00 H ATOM 680 HD23 LEU A 60 3.036 -18.817 -11.287 1.00 0.00 H ATOM 681 HD11 LEU A 60 -0.079 -18.788 -13.220 1.00 0.00 H ATOM 682 HD12 LEU A 60 0.808 -20.275 -12.806 1.00 0.00 H ATOM 683 HD13 LEU A 60 0.656 -18.967 -11.608 1.00 0.00 H ATOM 684 H LEU A 60 0.700 -20.682 -15.841 1.00 0.00 H ATOM 685 N PHE A 61 0.844 -18.422 -18.095 1.00 37.23 N ATOM 686 CA PHE A 61 1.138 -18.013 -19.468 1.00 45.98 C ATOM 687 C PHE A 61 1.329 -16.505 -19.619 1.00 46.34 C ATOM 688 O PHE A 61 2.094 -16.049 -20.459 1.00 48.88 O ATOM 689 CB PHE A 61 0.018 -18.479 -20.399 1.00 41.78 C ATOM 690 CG PHE A 61 -1.332 -17.913 -20.051 1.00 42.12 C ATOM 691 CD1 PHE A 61 -2.259 -18.671 -19.351 1.00 40.62 C ATOM 692 CD2 PHE A 61 -1.674 -16.624 -20.419 1.00 35.85 C ATOM 693 CE1 PHE A 61 -3.488 -18.157 -19.024 1.00 36.68 C ATOM 694 CE2 PHE A 61 -2.918 -16.109 -20.106 1.00 37.03 C ATOM 695 CZ PHE A 61 -3.826 -16.874 -19.411 1.00 31.89 C ATOM 696 HA PHE A 61 2.083 -18.484 -19.738 1.00 0.00 H ATOM 697 HB2 PHE A 61 0.267 -18.176 -21.416 1.00 0.00 H ATOM 698 HB3 PHE A 61 -0.041 -19.566 -20.349 1.00 0.00 H ATOM 699 HD2 PHE A 61 -0.956 -16.009 -20.961 1.00 0.00 H ATOM 700 HE2 PHE A 61 -3.180 -15.096 -20.410 1.00 0.00 H ATOM 701 HZ PHE A 61 -4.808 -16.470 -19.166 1.00 0.00 H ATOM 702 HE1 PHE A 61 -4.198 -18.761 -18.459 1.00 0.00 H ATOM 703 HD1 PHE A 61 -2.007 -19.690 -19.057 1.00 0.00 H ATOM 704 H PHE A 61 0.008 -19.017 -17.923 1.00 0.00 H ATOM 705 N GLY A 62 0.641 -15.727 -18.798 1.00 42.13 N ATOM 706 CA GLY A 62 0.738 -14.277 -18.886 1.00 40.85 C ATOM 707 C GLY A 62 1.781 -13.648 -17.977 1.00 40.64 C ATOM 708 O GLY A 62 1.954 -12.437 -17.991 1.00 37.30 O ATOM 709 HA3 GLY A 62 -0.234 -13.856 -18.628 1.00 0.00 H ATOM 710 HA2 GLY A 62 0.984 -14.016 -19.915 1.00 0.00 H ATOM 711 H GLY A 62 0.023 -16.157 -18.081 1.00 0.00 H ATOM 712 N ALA A 63 2.505 -14.480 -17.229 1.00 42.00 N ATOM 713 CA ALA A 63 3.335 -14.023 -16.117 1.00 50.62 C ATOM 714 C ALA A 63 4.775 -14.489 -16.262 1.00 50.39 C ATOM 715 O ALA A 63 5.413 -14.877 -15.266 1.00 38.52 O ATOM 716 CB ALA A 63 2.758 -14.547 -14.782 1.00 42.96 C ATOM 717 HA ALA A 63 3.329 -12.933 -16.125 1.00 0.00 H ATOM 718 HB1 ALA A 63 1.743 -14.170 -14.653 1.00 0.00 H ATOM 719 HB2 ALA A 63 2.743 -15.637 -14.797 1.00 0.00 H ATOM 720 HB3 ALA A 63 3.382 -14.202 -13.958 1.00 0.00 H ATOM 721 H ALA A 63 2.478 -15.497 -17.446 1.00 0.00 H ATOM 722 N GLU A 64 5.274 -14.434 -17.494 1.00 41.98 N ATOM 723 CA GLU A 64 6.586 -14.964 -17.865 1.00 42.04 C ATOM 724 C GLU A 64 7.698 -14.349 -17.012 1.00 45.62 C ATOM 725 O GLU A 64 8.532 -15.055 -16.449 1.00 50.88 O ATOM 726 CB GLU A 64 6.841 -14.709 -19.374 1.00 44.07 C ATOM 727 CG GLU A 64 7.844 -15.686 -20.044 1.00 59.61 C ATOM 728 CD GLU A 64 7.899 -15.598 -21.614 1.00 73.45 C ATOM 729 OE1 GLU A 64 8.588 -16.441 -22.242 1.00 58.05 O ATOM 730 OE2 GLU A 64 7.258 -14.704 -22.221 1.00 83.94 O ATOM 731 HA GLU A 64 6.593 -16.038 -17.678 1.00 0.00 H ATOM 732 HB2 GLU A 64 5.888 -14.791 -19.897 1.00 0.00 H ATOM 733 HB3 GLU A 64 7.229 -13.697 -19.485 1.00 0.00 H ATOM 734 HG2 GLU A 64 8.840 -15.470 -19.656 1.00 0.00 H ATOM 735 HG3 GLU A 64 7.562 -16.703 -19.770 1.00 0.00 H ATOM 736 H GLU A 64 4.698 -13.988 -18.236 1.00 0.00 H ATOM 737 N LYS A 65 7.693 -13.031 -16.884 1.00 44.85 N ATOM 738 CA LYS A 65 8.766 -12.350 -16.176 1.00 44.73 C ATOM 739 C LYS A 65 8.839 -12.718 -14.675 1.00 47.60 C ATOM 740 O LYS A 65 9.916 -12.976 -14.163 1.00 54.44 O ATOM 741 CB LYS A 65 8.618 -10.839 -16.354 1.00 46.00 C ATOM 742 CG LYS A 65 9.817 -10.036 -15.910 1.00 58.00 C ATOM 743 CD LYS A 65 9.668 -8.570 -16.306 1.00 74.71 C ATOM 744 CE LYS A 65 10.774 -7.718 -15.702 1.00 86.69 C ATOM 745 NZ LYS A 65 10.574 -6.268 -15.939 1.00 92.83 N ATOM 746 HA LYS A 65 9.705 -12.687 -16.614 1.00 0.00 H ATOM 747 HB2 LYS A 65 8.444 -10.636 -17.411 1.00 0.00 H ATOM 748 HB3 LYS A 65 7.755 -10.511 -15.775 1.00 0.00 H ATOM 749 HG2 LYS A 65 9.912 -10.105 -14.826 1.00 0.00 H ATOM 750 HG3 LYS A 65 10.713 -10.443 -16.379 1.00 0.00 H ATOM 751 HD2 LYS A 65 9.711 -8.489 -17.392 1.00 0.00 H ATOM 752 HD3 LYS A 65 8.704 -8.203 -15.953 1.00 0.00 H ATOM 753 HE2 LYS A 65 11.725 -8.016 -16.144 1.00 0.00 H ATOM 754 HE3 LYS A 65 10.803 -7.895 -14.627 1.00 0.00 H ATOM 755 HZ1 LYS A 65 10.553 -6.085 -16.963 1.00 0.00 H ATOM 756 HZ2 LYS A 65 9.673 -5.970 -15.514 1.00 0.00 H ATOM 757 HZ3 LYS A 65 11.356 -5.736 -15.506 1.00 0.00 H ATOM 758 H LYS A 65 6.914 -12.477 -17.294 1.00 0.00 H ATOM 759 N VAL A 66 7.715 -12.730 -13.962 1.00 40.24 N ATOM 760 CA VAL A 66 7.760 -12.977 -12.517 1.00 48.43 C ATOM 761 C VAL A 66 8.089 -14.450 -12.245 1.00 39.19 C ATOM 762 O VAL A 66 8.770 -14.786 -11.259 1.00 35.67 O ATOM 763 CB VAL A 66 6.446 -12.549 -11.761 1.00 46.76 C ATOM 764 CG1 VAL A 66 5.195 -12.810 -12.588 1.00 40.14 C ATOM 765 CG2 VAL A 66 6.348 -13.269 -10.398 1.00 51.99 C ATOM 766 HA VAL A 66 8.552 -12.343 -12.118 1.00 0.00 H ATOM 767 HB VAL A 66 6.506 -11.473 -11.594 1.00 0.00 H ATOM 768 HG11 VAL A 66 5.251 -12.244 -13.518 1.00 0.00 H ATOM 769 HG12 VAL A 66 5.125 -13.874 -12.813 1.00 0.00 H ATOM 770 HG13 VAL A 66 4.316 -12.498 -12.023 1.00 0.00 H ATOM 771 HG21 VAL A 66 6.330 -14.347 -10.558 1.00 0.00 H ATOM 772 HG22 VAL A 66 7.211 -13.006 -9.787 1.00 0.00 H ATOM 773 HG23 VAL A 66 5.434 -12.961 -9.891 1.00 0.00 H ATOM 774 H VAL A 66 6.802 -12.564 -14.431 1.00 0.00 H ATOM 775 N LEU A 67 7.627 -15.312 -13.145 1.00 35.93 N ATOM 776 CA LEU A 67 7.885 -16.742 -13.052 1.00 35.91 C ATOM 777 C LEU A 67 9.370 -17.049 -13.195 1.00 37.36 C ATOM 778 O LEU A 67 9.905 -17.891 -12.480 1.00 39.99 O ATOM 779 CB LEU A 67 7.091 -17.502 -14.132 1.00 36.32 C ATOM 780 CG LEU A 67 7.311 -19.020 -14.114 1.00 40.79 C ATOM 781 CD1 LEU A 67 7.135 -19.574 -12.691 1.00 44.26 C ATOM 782 CD2 LEU A 67 6.382 -19.748 -15.113 1.00 31.95 C ATOM 783 HA LEU A 67 7.560 -17.072 -12.065 1.00 0.00 H ATOM 784 HB2 LEU A 67 6.030 -17.307 -13.979 1.00 0.00 H ATOM 785 HB3 LEU A 67 7.391 -17.123 -15.109 1.00 0.00 H ATOM 786 HG LEU A 67 8.336 -19.209 -14.434 1.00 0.00 H ATOM 787 HD21 LEU A 67 5.343 -19.550 -14.851 1.00 0.00 H ATOM 788 HD22 LEU A 67 6.580 -19.385 -16.122 1.00 0.00 H ATOM 789 HD23 LEU A 67 6.571 -20.821 -15.068 1.00 0.00 H ATOM 790 HD11 LEU A 67 7.860 -19.103 -12.027 1.00 0.00 H ATOM 791 HD12 LEU A 67 6.126 -19.358 -12.341 1.00 0.00 H ATOM 792 HD13 LEU A 67 7.295 -20.652 -12.700 1.00 0.00 H ATOM 793 H LEU A 67 7.063 -14.953 -13.942 1.00 0.00 H ATOM 794 N LYS A 68 10.030 -16.369 -14.131 1.00 38.63 N ATOM 795 CA LYS A 68 11.423 -16.620 -14.419 1.00 49.39 C ATOM 796 C LYS A 68 12.280 -15.981 -13.352 1.00 47.06 C ATOM 797 O LYS A 68 13.344 -16.491 -13.007 1.00 58.25 O ATOM 798 CB LYS A 68 11.785 -16.103 -15.813 1.00 66.00 C ATOM 799 CG LYS A 68 11.097 -16.883 -16.949 1.00 73.60 C ATOM 800 CD LYS A 68 11.368 -16.256 -18.325 1.00 85.75 C ATOM 801 CE LYS A 68 12.795 -16.521 -18.797 1.00 94.88 C ATOM 802 NZ LYS A 68 13.121 -15.814 -20.064 1.00101.33 N ATOM 803 HA LYS A 68 11.607 -17.694 -14.413 1.00 0.00 H ATOM 804 HB2 LYS A 68 11.488 -15.056 -15.882 1.00 0.00 H ATOM 805 HB3 LYS A 68 12.864 -16.183 -15.942 1.00 0.00 H ATOM 806 HG2 LYS A 68 11.470 -17.907 -16.949 1.00 0.00 H ATOM 807 HG3 LYS A 68 10.022 -16.889 -16.771 1.00 0.00 H ATOM 808 HD2 LYS A 68 10.672 -16.679 -19.049 1.00 0.00 H ATOM 809 HD3 LYS A 68 11.212 -15.179 -18.259 1.00 0.00 H ATOM 810 HE2 LYS A 68 12.917 -17.593 -18.954 1.00 0.00 H ATOM 811 HE3 LYS A 68 13.486 -16.187 -18.023 1.00 0.00 H ATOM 812 HZ1 LYS A 68 12.473 -16.131 -20.813 1.00 0.00 H ATOM 813 HZ2 LYS A 68 13.016 -14.789 -19.924 1.00 0.00 H ATOM 814 HZ3 LYS A 68 14.101 -16.029 -20.338 1.00 0.00 H ATOM 815 H LYS A 68 9.527 -15.636 -14.671 1.00 0.00 H ATOM 816 N LYS A 69 11.819 -14.868 -12.803 1.00 35.40 N ATOM 817 CA LYS A 69 12.514 -14.290 -11.666 1.00 50.34 C ATOM 818 C LYS A 69 12.432 -15.278 -10.494 1.00 52.62 C ATOM 819 O LYS A 69 13.440 -15.609 -9.886 1.00 51.37 O ATOM 820 CB LYS A 69 11.915 -12.930 -11.312 1.00 58.11 C ATOM 821 CG LYS A 69 12.517 -12.266 -10.091 1.00 62.00 C ATOM 822 CD LYS A 69 12.411 -10.746 -10.184 1.00 69.06 C ATOM 823 CE LYS A 69 10.965 -10.305 -10.329 1.00 79.79 C ATOM 824 NZ LYS A 69 10.786 -8.822 -10.244 1.00 88.53 N ATOM 825 HA LYS A 69 13.563 -14.118 -11.907 1.00 0.00 H ATOM 826 HB2 LYS A 69 12.057 -12.265 -12.164 1.00 0.00 H ATOM 827 HB3 LYS A 69 10.848 -13.066 -11.133 1.00 0.00 H ATOM 828 HG2 LYS A 69 11.986 -12.607 -9.202 1.00 0.00 H ATOM 829 HG3 LYS A 69 13.568 -12.546 -10.015 1.00 0.00 H ATOM 830 HD2 LYS A 69 12.829 -10.304 -9.280 1.00 0.00 H ATOM 831 HD3 LYS A 69 12.977 -10.402 -11.050 1.00 0.00 H ATOM 832 HE2 LYS A 69 10.380 -10.770 -9.536 1.00 0.00 H ATOM 833 HE3 LYS A 69 10.595 -10.643 -11.297 1.00 0.00 H ATOM 834 HZ1 LYS A 69 11.125 -8.485 -9.320 1.00 0.00 H ATOM 835 HZ2 LYS A 69 11.331 -8.364 -11.002 1.00 0.00 H ATOM 836 HZ3 LYS A 69 9.778 -8.589 -10.350 1.00 0.00 H ATOM 837 H LYS A 69 10.966 -14.411 -13.183 1.00 0.00 H ATOM 838 N TRP A 70 11.234 -15.787 -10.213 1.00 52.81 N ATOM 839 CA TRP A 70 11.045 -16.752 -9.125 1.00 43.41 C ATOM 840 C TRP A 70 11.946 -17.979 -9.306 1.00 48.52 C ATOM 841 O TRP A 70 12.574 -18.445 -8.361 1.00 47.88 O ATOM 842 CB TRP A 70 9.581 -17.194 -9.051 1.00 36.60 C ATOM 843 CG TRP A 70 9.390 -18.354 -8.120 1.00 39.13 C ATOM 844 CD1 TRP A 70 9.252 -19.659 -8.465 1.00 36.83 C ATOM 845 CD2 TRP A 70 9.339 -18.308 -6.683 1.00 43.39 C ATOM 846 NE1 TRP A 70 9.110 -20.439 -7.339 1.00 39.70 N ATOM 847 CE2 TRP A 70 9.167 -19.635 -6.228 1.00 45.98 C ATOM 848 CE3 TRP A 70 9.427 -17.278 -5.740 1.00 46.95 C ATOM 849 CZ2 TRP A 70 9.089 -19.963 -4.859 1.00 29.54 C ATOM 850 CZ3 TRP A 70 9.340 -17.601 -4.383 1.00 43.66 C ATOM 851 CH2 TRP A 70 9.169 -18.933 -3.962 1.00 35.70 C ATOM 852 HA TRP A 70 11.320 -16.257 -8.193 1.00 0.00 H ATOM 853 HB2 TRP A 70 8.978 -16.357 -8.699 1.00 0.00 H ATOM 854 HB3 TRP A 70 9.250 -17.485 -10.048 1.00 0.00 H ATOM 855 HE1 TRP A 70 8.980 -21.471 -7.332 1.00 0.00 H ATOM 856 HD1 TRP A 70 9.253 -20.036 -9.488 1.00 0.00 H ATOM 857 HZ2 TRP A 70 8.970 -20.995 -4.529 1.00 0.00 H ATOM 858 HH2 TRP A 70 9.099 -19.149 -2.896 1.00 0.00 H ATOM 859 HZ3 TRP A 70 9.406 -16.808 -3.638 1.00 0.00 H ATOM 860 HE3 TRP A 70 9.561 -16.244 -6.058 1.00 0.00 H ATOM 861 H TRP A 70 10.412 -15.493 -10.779 1.00 0.00 H ATOM 862 N LYS A 71 12.024 -18.492 -10.531 1.00 42.95 N ATOM 863 CA LYS A 71 12.803 -19.696 -10.784 1.00 46.88 C ATOM 864 C LYS A 71 14.310 -19.462 -10.624 1.00 54.00 C ATOM 865 O LYS A 71 15.032 -20.356 -10.179 1.00 52.27 O ATOM 866 CB LYS A 71 12.512 -20.244 -12.177 1.00 45.94 C ATOM 867 CG LYS A 71 11.244 -21.088 -12.276 1.00 48.01 C ATOM 868 CD LYS A 71 11.149 -21.738 -13.653 1.00 49.30 C ATOM 869 CE LYS A 71 9.873 -22.508 -13.829 1.00 52.64 C ATOM 870 NZ LYS A 71 9.757 -23.050 -15.200 1.00 59.23 N ATOM 871 HA LYS A 71 12.500 -20.427 -10.035 1.00 0.00 H ATOM 872 HB2 LYS A 71 12.414 -19.401 -12.861 1.00 0.00 H ATOM 873 HB3 LYS A 71 13.356 -20.862 -12.483 1.00 0.00 H ATOM 874 HG2 LYS A 71 11.268 -21.865 -11.512 1.00 0.00 H ATOM 875 HG3 LYS A 71 10.374 -20.451 -12.118 1.00 0.00 H ATOM 876 HD2 LYS A 71 11.197 -20.959 -14.414 1.00 0.00 H ATOM 877 HD3 LYS A 71 11.991 -22.419 -13.779 1.00 0.00 H ATOM 878 HE2 LYS A 71 9.029 -21.846 -13.636 1.00 0.00 H ATOM 879 HE3 LYS A 71 9.855 -23.334 -13.118 1.00 0.00 H ATOM 880 HZ1 LYS A 71 9.768 -22.266 -15.883 1.00 0.00 H ATOM 881 HZ2 LYS A 71 10.557 -23.687 -15.388 1.00 0.00 H ATOM 882 HZ3 LYS A 71 8.865 -23.577 -15.289 1.00 0.00 H ATOM 883 H LYS A 71 11.523 -18.028 -11.316 1.00 0.00 H ATOM 884 N LYS A 72 14.781 -18.267 -10.983 1.00 54.23 N ATOM 885 CA LYS A 72 16.213 -17.968 -10.945 1.00 55.98 C ATOM 886 C LYS A 72 16.691 -17.672 -9.516 1.00 52.23 C ATOM 887 O LYS A 72 17.815 -17.990 -9.156 1.00 53.22 O ATOM 888 CB LYS A 72 16.556 -16.790 -11.868 1.00 56.84 C ATOM 889 CG LYS A 72 16.418 -17.057 -13.374 1.00 58.74 C ATOM 890 CD LYS A 72 16.532 -15.731 -14.166 1.00 62.48 C ATOM 891 CE LYS A 72 16.324 -15.901 -15.682 1.00 64.56 C ATOM 892 NZ LYS A 72 16.192 -14.590 -16.439 1.00 58.52 N ATOM 893 HA LYS A 72 16.735 -18.856 -11.302 1.00 0.00 H ATOM 894 HB2 LYS A 72 15.895 -15.962 -11.613 1.00 0.00 H ATOM 895 HB3 LYS A 72 17.589 -16.502 -11.673 1.00 0.00 H ATOM 896 HG2 LYS A 72 17.208 -17.736 -13.693 1.00 0.00 H ATOM 897 HG3 LYS A 72 15.448 -17.512 -13.572 1.00 0.00 H ATOM 898 HD2 LYS A 72 15.779 -15.038 -13.790 1.00 0.00 H ATOM 899 HD3 LYS A 72 17.525 -15.313 -13.998 1.00 0.00 H ATOM 900 HE2 LYS A 72 15.415 -16.482 -15.841 1.00 0.00 H ATOM 901 HE3 LYS A 72 17.177 -16.446 -16.086 1.00 0.00 H ATOM 902 HZ1 LYS A 72 15.374 -14.061 -16.074 1.00 0.00 H ATOM 903 HZ2 LYS A 72 17.057 -14.027 -16.309 1.00 0.00 H ATOM 904 HZ3 LYS A 72 16.055 -14.788 -17.451 1.00 0.00 H ATOM 905 H LYS A 72 14.116 -17.532 -11.297 1.00 0.00 H ATOM 906 N ARG A 73 15.834 -17.084 -8.696 1.00 65.28 N ATOM 907 CA ARG A 73 16.238 -16.658 -7.363 1.00 76.39 C ATOM 908 C ARG A 73 16.662 -17.840 -6.501 1.00 77.25 C ATOM 909 O ARG A 73 17.678 -17.774 -5.803 1.00 83.61 O ATOM 910 CB ARG A 73 15.094 -15.907 -6.688 1.00 85.16 C ATOM 911 CG ARG A 73 14.757 -14.578 -7.343 1.00 97.64 C ATOM 912 CD ARG A 73 13.313 -14.198 -7.084 1.00111.79 C ATOM 913 NE ARG A 73 12.979 -14.330 -5.668 1.00124.75 N ATOM 914 CZ ARG A 73 11.769 -14.139 -5.151 1.00128.84 C ATOM 915 NH1 ARG A 73 10.745 -13.805 -5.931 1.00130.79 N ATOM 916 NH2 ARG A 73 11.587 -14.287 -3.845 1.00127.50 N ATOM 917 HA ARG A 73 17.098 -15.996 -7.470 1.00 0.00 H ATOM 918 HB2 ARG A 73 14.206 -16.538 -6.715 1.00 0.00 H ATOM 919 HB3 ARG A 73 15.372 -15.718 -5.651 1.00 0.00 H ATOM 920 HG2 ARG A 73 15.408 -13.804 -6.937 1.00 0.00 H ATOM 921 HG3 ARG A 73 14.918 -14.659 -8.418 1.00 0.00 H ATOM 922 HD2 ARG A 73 12.663 -14.852 -7.666 1.00 0.00 H ATOM 923 HD3 ARG A 73 13.156 -13.164 -7.392 1.00 0.00 H ATOM 924 HE ARG A 73 13.745 -14.593 -5.016 1.00 0.00 H ATOM 925 HH12 ARG A 73 9.802 -13.658 -5.517 1.00 0.00 H ATOM 926 HH11 ARG A 73 10.887 -13.691 -6.955 1.00 0.00 H ATOM 927 HH22 ARG A 73 10.644 -14.140 -3.431 1.00 0.00 H ATOM 928 HH21 ARG A 73 12.387 -14.550 -3.235 1.00 0.00 H ATOM 929 H ARG A 73 14.855 -16.923 -9.009 1.00 0.00 H TER 930 ARG A 73 HETATM 931 ZN ZN A 1 -10.878 -10.839 -1.518 1.00 50.86 ZN HETATM 932 ZN ZN A 2 -12.040 -13.242 -0.744 1.00 80.74 ZN HETATM 933 ZN ZN A 3 11.639 -22.496 -6.318 1.00 91.16 ZN HETATM 934 ZN ZN A 4 -8.553 -12.852 -24.810 1.00126.72 ZN HETATM 935 O HOH 5 0.441 -26.983 -15.941 1.00 44.48 O HETATM 936 O HOH 6 -2.007 -5.274 -4.196 1.00 63.76 O HETATM 937 O HOH 7 -5.407 -9.485 -9.888 1.00 41.25 O HETATM 938 O HOH 8 -14.226 -12.210 -10.263 1.00 56.06 O HETATM 939 O HOH 9 20.087 -18.918 -10.392 1.00 58.50 O HETATM 940 O HOH 10 8.469 -23.177 -2.037 1.00 48.10 O HETATM 941 O HOH 11 -4.377 -12.612 -3.558 1.00 32.69 O HETATM 942 O HOH 12 -5.610 -23.206 -4.011 1.00 37.36 O HETATM 943 O HOH 13 1.354 -26.842 -0.036 1.00 39.38 O HETATM 944 O HOH 14 1.365 -7.215 -12.699 1.00 54.76 O HETATM 945 O HOH 15 3.624 -20.713 -18.305 1.00 67.28 O HETATM 946 O HOH 16 5.579 -11.594 -19.251 1.00 56.87 O HETATM 947 O HOH 17 2.075 -34.477 -16.131 1.00 52.63 O HETATM 948 O HOH 18 10.724 -26.585 -12.621 1.00 62.34 O HETATM 949 O HOH 19 9.520 -25.879 -15.294 1.00 58.86 O HETATM 950 O HOH 20 -5.015 -19.959 -0.018 1.00 35.88 O HETATM 951 O HOH 21 7.143 -22.229 -17.779 1.00 68.68 O HETATM 952 O HOH 22 6.615 -30.075 -3.076 1.00 42.77 O HETATM 953 O HOH 23 3.314 -11.513 -20.449 1.00 65.34 O HETATM 954 O HOH 24 5.248 -28.064 -14.334 1.00 48.66 O HETATM 955 O HOH 25 3.199 -27.765 -16.961 1.00 48.82 O HETATM 956 O HOH 26 9.366 -24.271 -10.049 1.00 42.68 O HETATM 957 O HOH 27 8.881 -14.247 -3.332 1.00 51.83 O HETATM 958 O HOH 28 3.954 -8.752 -2.413 1.00 66.54 O HETATM 959 O HOH 29 7.977 -5.861 -13.924 1.00 63.05 O HETATM 960 O HOH 30 -5.680 -22.031 -1.511 1.00 60.32 O HETATM 961 O HOH 31 -3.140 -23.250 0.992 1.00 42.67 O HETATM 962 O HOH 32 -11.973 -17.960 -10.403 1.00 67.85 O HETATM 963 O HOH 33 -12.875 -23.298 -11.734 1.00 65.97 O HETATM 964 N LYS A 34 3.388 -5.891 -16.645 1.00 0.24 N HETATM 965 CA LYS A 34 2.052 -6.351 -16.247 1.00 0.07 C HETATM 966 C LYS A 34 1.904 -7.855 -16.458 1.00 0.23 C HETATM 967 O LYS A 34 1.872 -8.342 -17.593 1.00 -0.39 O HETATM 968 N LYS A 34 1.811 -8.580 -15.349 1.00 -0.26 N HETATM 969 CA LYS A 34 1.851 -10.037 -15.359 1.00 0.13 C HETATM 970 C LYS A 34 0.469 -10.592 -15.113 1.00 0.20 C HETATM 971 O LYS A 34 -0.205 -10.171 -14.181 1.00 -0.39 O HETATM 972 N LYS A 34 0.044 -11.528 -15.955 1.00 -0.26 N HETATM 973 CA LYS A 34 -1.301 -12.095 -15.870 1.00 0.16 C HETATM 974 C LYS A 34 -1.241 -13.619 -15.813 1.00 0.21 C HETATM 975 O LYS A 34 -0.303 -14.237 -16.305 1.00 -0.39 O HETATM 976 N LYS A 34 -2.257 -14.214 -15.210 1.00 -0.26 N HETATM 977 CA LYS A 34 -2.346 -15.660 -15.082 1.00 0.13 C HETATM 978 C LYS A 34 -3.825 -16.043 -14.920 1.00 0.20 C HETATM 979 O LYS A 34 -4.633 -15.219 -14.514 1.00 -0.39 O HETATM 980 N LYS A 34 -4.176 -17.281 -15.247 1.00 -0.26 N HETATM 981 CA LYS A 34 -5.528 -17.771 -15.001 1.00 0.13 C HETATM 982 C LYS A 34 -5.646 -18.261 -13.557 1.00 0.20 C HETATM 983 O LYS A 34 -4.800 -19.030 -13.070 1.00 -0.39 O HETATM 984 N LYS A 34 -6.685 -17.803 -12.865 1.00 -0.26 N HETATM 985 CA LYS A 34 -6.939 -18.220 -11.440 1.00 0.13 C HETATM 986 CB LYS A 34 -7.360 -17.020 -10.584 1.00 -0.01 C HETATM 987 CG LYS A 34 -7.929 -17.433 -9.218 1.00 -0.04 C HETATM 988 CD LYS A 34 -8.034 -16.265 -8.227 1.00 -0.01 C HETATM 989 CE LYS A 34 -8.956 -15.168 -8.766 1.00 -0.03 C HETATM 990 NZ LYS A 34 -9.253 -14.097 -7.793 1.00 0.24 N HETATM 991 CM1 LYS A 34 -10.638 -13.672 -8.002 1.00 -0.04 C HETATM 992 H59 LYS A 34 -10.888 -12.873 -7.289 1.00 0.08 H HETATM 993 H60 LYS A 34 -11.312 -14.527 -7.845 1.00 0.08 H HETATM 994 H61 LYS A 34 -10.755 -13.297 -9.029 1.00 0.08 H HETATM 995 CM2 LYS A 34 -8.413 -12.915 -8.026 1.00 -0.04 C HETATM 996 H62 LYS A 34 -7.356 -13.182 -7.881 1.00 0.08 H HETATM 997 H63 LYS A 34 -8.691 -12.122 -7.317 1.00 0.08 H HETATM 998 H64 LYS A 34 -8.562 -12.556 -9.055 1.00 0.08 H HETATM 999 CM3 LYS A 34 -9.073 -14.567 -6.406 1.00 -0.04 C HETATM 1000 H65 LYS A 34 -9.703 -15.452 -6.234 1.00 0.08 H HETATM 1001 H66 LYS A 34 -9.364 -13.769 -5.708 1.00 0.08 H HETATM 1002 H67 LYS A 34 -8.018 -14.831 -6.242 1.00 0.08 H HETATM 1003 H57 LYS A 34 -9.906 -15.633 -9.068 1.00 0.08 H HETATM 1004 H58 LYS A 34 -8.475 -14.713 -9.644 1.00 0.08 H HETATM 1005 H55 LYS A 34 -7.032 -15.843 -8.061 1.00 0.03 H HETATM 1006 H56 LYS A 34 -8.437 -16.637 -7.274 1.00 0.03 H HETATM 1007 H53 LYS A 34 -7.272 -18.201 -8.784 1.00 0.03 H HETATM 1008 H54 LYS A 34 -8.934 -17.853 -9.371 1.00 0.03 H HETATM 1009 H51 LYS A 34 -8.130 -16.453 -11.128 1.00 0.03 H HETATM 1010 H52 LYS A 34 -6.481 -16.380 -10.419 1.00 0.03 H HETATM 1011 C LYS A 34 -8.045 -19.222 -11.419 1.00 0.20 C HETATM 1012 O LYS A 34 -9.168 -18.863 -11.729 1.00 -0.39 O HETATM 1013 N LYS A 34 -7.741 -20.468 -11.076 1.00 -0.27 N HETATM 1014 CA LYS A 34 -8.751 -21.505 -10.860 1.00 0.12 C HETATM 1015 C LYS A 34 -9.960 -21.009 -10.047 1.00 0.06 C HETATM 1016 O LYS A 34 -10.775 -21.817 -9.526 1.00 -0.57 O HETATM 1017 O70 LYS A 34 -10.139 -19.770 -9.899 1.00 -0.57 O HETATM 1018 CB LYS A 34 -8.104 -22.687 -10.136 1.00 0.08 C HETATM 1019 OG LYS A 34 -6.953 -23.137 -10.834 1.00 -0.39 O HETATM 1020 H72 LYS A 34 -6.322 -22.429 -10.891 1.00 0.21 H HETATM 1021 H70 LYS A 34 -8.830 -23.511 -10.069 1.00 0.06 H HETATM 1022 H71 LYS A 34 -7.812 -22.373 -9.123 1.00 0.06 H HETATM 1023 H69 LYS A 34 -9.113 -21.842 -11.842 1.00 0.07 H HETATM 1024 H68 LYS A 34 -6.777 -20.709 -10.960 1.00 0.19 H HETATM 1025 H50 LYS A 34 -6.024 -18.665 -11.022 1.00 0.08 H HETATM 1026 H49 LYS A 34 -7.316 -17.163 -13.303 1.00 0.19 H HETATM 1027 CB LYS A 34 -5.862 -18.904 -15.984 1.00 -0.01 C HETATM 1028 CG LYS A 34 -7.191 -19.635 -15.735 1.00 -0.02 C HETATM 1029 CD LYS A 34 -7.358 -20.765 -16.769 1.00 0.06 C HETATM 1030 NE LYS A 34 -8.578 -21.556 -16.614 1.00 -0.27 N HETATM 1031 CZ LYS A 34 -9.811 -21.089 -16.826 1.00 0.29 C HETATM 1032 NH1 LYS A 34 -10.860 -21.887 -16.670 1.00 -0.28 N HETATM 1033 H45 LYS A 34 -11.811 -21.526 -16.834 1.00 0.26 H HETATM 1034 H46 LYS A 34 -10.723 -22.867 -16.385 1.00 0.26 H HETATM 1035 NH2 LYS A 34 -10.006 -19.822 -17.177 1.00 -0.28 N HETATM 1036 H47 LYS A 34 -9.200 -19.192 -17.301 1.00 0.26 H HETATM 1037 H48 LYS A 34 -10.963 -19.470 -17.325 1.00 0.26 H HETATM 1038 H44 LYS A 34 -8.480 -22.539 -16.322 1.00 0.26 H HETATM 1039 H42 LYS A 34 -6.496 -21.442 -16.679 1.00 0.07 H HETATM 1040 H43 LYS A 34 -7.367 -20.314 -17.772 1.00 0.07 H HETATM 1041 H40 LYS A 34 -8.024 -18.924 -15.832 1.00 0.03 H HETATM 1042 H41 LYS A 34 -7.190 -20.063 -14.722 1.00 0.03 H HETATM 1043 H38 LYS A 34 -5.053 -19.647 -15.930 1.00 0.03 H HETATM 1044 H39 LYS A 34 -5.898 -18.474 -16.996 1.00 0.03 H HETATM 1045 H37 LYS A 34 -6.240 -16.947 -15.155 1.00 0.08 H HETATM 1046 H36 LYS A 34 -3.502 -17.888 -15.669 1.00 0.19 H HETATM 1047 CB LYS A 34 -1.546 -16.124 -13.886 1.00 -0.02 C HETATM 1048 H33 LYS A 34 -1.619 -17.218 -13.798 1.00 0.03 H HETATM 1049 H34 LYS A 34 -1.944 -15.655 -12.974 1.00 0.03 H HETATM 1050 H35 LYS A 34 -0.492 -15.837 -14.016 1.00 0.03 H HETATM 1051 H32 LYS A 34 -1.943 -16.134 -15.989 1.00 0.08 H HETATM 1052 H31 LYS A 34 -2.989 -13.650 -14.829 1.00 0.19 H HETATM 1053 CB LYS A 34 -2.191 -11.671 -17.079 1.00 0.09 C HETATM 1054 OG1 LYS A 34 -1.672 -12.240 -18.290 1.00 -0.39 O HETATM 1055 H27 LYS A 34 -1.670 -13.187 -18.218 1.00 0.21 H HETATM 1056 CG2 LYS A 34 -2.256 -10.166 -17.200 1.00 -0.03 C HETATM 1057 H28 LYS A 34 -2.888 -9.894 -18.058 1.00 0.03 H HETATM 1058 H29 LYS A 34 -1.242 -9.766 -17.350 1.00 0.03 H HETATM 1059 H30 LYS A 34 -2.685 -9.742 -16.280 1.00 0.03 H HETATM 1060 H26 LYS A 34 -3.209 -12.053 -16.916 1.00 0.06 H HETATM 1061 H25 LYS A 34 -1.770 -11.725 -14.946 1.00 0.08 H HETATM 1062 H24 LYS A 34 0.663 -11.855 -16.669 1.00 0.19 H HETATM 1063 CB LYS A 34 2.806 -10.519 -14.275 1.00 0.00 C HETATM 1064 CG LYS A 34 4.196 -9.915 -14.396 1.00 0.04 C HETATM 1065 CD LYS A 34 4.907 -10.368 -15.664 1.00 0.17 C HETATM 1066 OE1 LYS A 34 5.197 -11.551 -15.833 1.00 -0.40 O HETATM 1067 NE2 LYS A 34 5.199 -9.428 -16.555 1.00 -0.30 N HETATM 1068 H22 LYS A 34 5.666 -9.672 -17.405 1.00 0.18 H HETATM 1069 H23 LYS A 34 4.952 -8.476 -16.376 1.00 0.18 H HETATM 1070 H20 LYS A 34 4.794 -10.222 -13.525 1.00 0.05 H HETATM 1071 H21 LYS A 34 4.107 -8.819 -14.412 1.00 0.05 H HETATM 1072 H18 LYS A 34 2.892 -11.613 -14.345 1.00 0.03 H HETATM 1073 H19 LYS A 34 2.389 -10.246 -13.294 1.00 0.03 H HETATM 1074 H17 LYS A 34 2.209 -10.384 -16.339 1.00 0.08 H HETATM 1075 H16 LYS A 34 1.710 -8.108 -14.473 1.00 0.19 H HETATM 1076 CB LYS A 34 0.971 -5.610 -17.031 1.00 0.01 C HETATM 1077 CG LYS A 34 -0.412 -5.645 -16.390 1.00 -0.04 C HETATM 1078 CD LYS A 34 -1.302 -6.704 -17.008 1.00 -0.01 C HETATM 1079 CE LYS A 34 -2.769 -6.400 -16.746 1.00 -0.04 C HETATM 1080 NZ LYS A 34 -3.122 -6.614 -15.324 1.00 0.22 N HETATM 1081 H13 LYS A 34 -4.098 -6.404 -15.185 1.00 0.20 H HETATM 1082 H14 LYS A 34 -2.562 -6.009 -14.744 1.00 0.20 H HETATM 1083 H15 LYS A 34 -2.946 -7.575 -15.075 1.00 0.20 H HETATM 1084 H11 LYS A 34 -3.388 -7.060 -17.371 1.00 0.08 H HETATM 1085 H12 LYS A 34 -2.969 -5.351 -17.010 1.00 0.08 H HETATM 1086 H9 LYS A 34 -1.054 -7.683 -16.572 1.00 0.03 H HETATM 1087 H10 LYS A 34 -1.128 -6.732 -18.094 1.00 0.03 H HETATM 1088 H7 LYS A 34 -0.888 -4.662 -16.520 1.00 0.03 H HETATM 1089 H8 LYS A 34 -0.300 -5.859 -15.317 1.00 0.03 H HETATM 1090 H5 LYS A 34 0.898 -6.065 -18.030 1.00 0.03 H HETATM 1091 H6 LYS A 34 1.278 -4.558 -17.129 1.00 0.03 H HETATM 1092 H4 LYS A 34 1.918 -6.135 -15.177 1.00 0.11 H HETATM 1093 H1 LYS A 34 3.459 -4.897 -16.496 1.00 0.20 H HETATM 1094 H2 LYS A 34 3.537 -6.096 -17.621 1.00 0.20 H HETATM 1095 H3 LYS A 34 4.085 -6.364 -16.092 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 175 173 933 CONECT 533 532 932 CONECT 534 532 931 CONECT 931 534 CONECT 932 533 CONECT 933 175 CONECT 964 965 1093 1094 1095 CONECT 965 964 966 1076 1092 CONECT 966 965 967 968 CONECT 967 966 CONECT 968 966 969 1075 CONECT 969 968 970 1063 1074 CONECT 970 969 971 972 CONECT 971 970 CONECT 972 970 973 1062 CONECT 973 972 974 1053 1061 CONECT 974 973 975 976 CONECT 975 974 CONECT 976 974 977 1052 CONECT 977 976 978 1047 1051 CONECT 978 977 979 980 CONECT 979 978 CONECT 980 978 981 1046 CONECT 981 980 982 1027 1045 CONECT 982 981 983 984 CONECT 983 982 CONECT 984 982 985 1026 CONECT 985 984 986 1011 1025 CONECT 986 985 987 1009 1010 CONECT 987 986 988 1007 1008 CONECT 988 987 989 1005 1006 CONECT 989 988 990 1003 1004 CONECT 990 989 991 995 999 CONECT 991 990 992 993 994 CONECT 992 991 CONECT 993 991 CONECT 994 991 CONECT 995 990 996 997 998 CONECT 996 995 CONECT 997 995 CONECT 998 995 CONECT 999 990 1000 1001 1002 CONECT 1000 999 CONECT 1001 999 CONECT 1002 999 CONECT 1003 989 CONECT 1004 989 CONECT 1005 988 CONECT 1006 988 CONECT 1007 987 CONECT 1008 987 CONECT 1009 986 CONECT 1010 986 CONECT 1011 985 1012 1013 CONECT 1012 1011 CONECT 1013 1011 1014 1024 CONECT 1014 1013 1015 1018 1023 CONECT 1015 1014 1016 1017 CONECT 1016 1015 CONECT 1017 1015 CONECT 1018 1014 1019 1021 1022 CONECT 1019 1018 1020 CONECT 1020 1019 CONECT 1021 1018 CONECT 1022 1018 CONECT 1023 1014 CONECT 1024 1013 CONECT 1025 985 CONECT 1026 984 CONECT 1027 981 1028 1043 1044 CONECT 1028 1027 1029 1041 1042 CONECT 1029 1028 1030 1039 1040 CONECT 1030 1029 1031 1038 CONECT 1031 1030 1032 1035 CONECT 1032 1031 1033 1034 CONECT 1033 1032 CONECT 1034 1032 CONECT 1035 1031 1036 1037 CONECT 1036 1035 CONECT 1037 1035 CONECT 1038 1030 CONECT 1039 1029 CONECT 1040 1029 CONECT 1041 1028 CONECT 1042 1028 CONECT 1043 1027 CONECT 1044 1027 CONECT 1045 981 CONECT 1046 980 CONECT 1047 977 1048 1049 1050 CONECT 1048 1047 CONECT 1049 1047 CONECT 1050 1047 CONECT 1051 977 CONECT 1052 976 CONECT 1053 973 1054 1056 1060 CONECT 1054 1053 1055 CONECT 1055 1054 CONECT 1056 1053 1057 1058 1059 CONECT 1057 1056 CONECT 1058 1056 CONECT 1059 1056 CONECT 1060 1053 CONECT 1061 973 CONECT 1062 972 CONECT 1063 969 1064 1072 1073 CONECT 1064 1063 1065 1070 1071 CONECT 1065 1064 1066 1067 CONECT 1066 1065 CONECT 1067 1065 1068 1069 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1064 CONECT 1071 1064 CONECT 1072 1063 CONECT 1073 1063 CONECT 1074 969 CONECT 1075 968 CONECT 1076 965 1077 1090 1091 CONECT 1077 1076 1078 1088 1089 CONECT 1078 1077 1079 1086 1087 CONECT 1079 1078 1080 1084 1085 CONECT 1080 1079 1081 1082 1083 CONECT 1081 1080 CONECT 1082 1080 CONECT 1083 1080 CONECT 1084 1079 CONECT 1085 1079 CONECT 1086 1078 CONECT 1087 1078 CONECT 1088 1077 CONECT 1089 1077 CONECT 1090 1076 CONECT 1091 1076 CONECT 1092 965 CONECT 1093 964 CONECT 1094 964 CONECT 1095 964 MASTER 0 0 0 0 0 0 0 0 1094 1 142 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3g7l
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bxl
RCSB PDB
PDBbind
16-mer
1dpu
RCSB PDB
PDBbind
16-mer
1dxp
RCSB PDB
PDBbind
16-mer
1g1e
RCSB PDB
PDBbind
16-mer
1j19
RCSB PDB
PDBbind
16-mer
1ok7
RCSB PDB
PDBbind
16-mer
1pmx
RCSB PDB
PDBbind
16-mer
1r17
RCSB PDB
PDBbind
16-mer
1s5q
RCSB PDB
PDBbind
16-mer
1sje
RCSB PDB
PDBbind
16-mer
1t2v
RCSB PDB
PDBbind
16-mer
1u8t
RCSB PDB
PDBbind
16-mer
1uti
RCSB PDB
PDBbind
16-mer
1vyj
RCSB PDB
PDBbind
16-mer
1y3a
RCSB PDB
PDBbind
16-mer
2b2v
RCSB PDB
PDBbind
16-mer
2flu
RCSB PDB
PDBbind
16-mer
2fx7
RCSB PDB
PDBbind
16-mer
2gph
RCSB PDB
PDBbind
16-mer
2ivz
RCSB PDB
PDBbind
16-mer
2k3w
RCSB PDB
PDBbind
16-mer
2koh
RCSB PDB
PDBbind
16-mer
2kvm
RCSB PDB
PDBbind
16-mer
2lcs
RCSB PDB
PDBbind
16-mer
2lsk
RCSB PDB
PDBbind
16-mer
2lsr
RCSB PDB
PDBbind
16-mer
2mg5
RCSB PDB
PDBbind
16-mer
2mpm
RCSB PDB
PDBbind
16-mer
2mps
RCSB PDB
PDBbind
16-mer
2n1g
RCSB PDB
PDBbind
16-mer
3eht
RCSB PDB
PDBbind
16-mer
3g5v
RCSB PDB
PDBbind
16-mer
3g5y
RCSB PDB
PDBbind
16-mer
3k48
RCSB PDB
PDBbind
16-mer
3nfl
RCSB PDB
PDBbind
16-mer
3oe0
RCSB PDB
PDBbind
16-mer
3tdu
RCSB PDB
PDBbind
16-mer
3twr
RCSB PDB
PDBbind
16-mer
3tws
RCSB PDB
PDBbind
16-mer
3twu
RCSB PDB
PDBbind
16-mer
3twv
RCSB PDB
PDBbind
16-mer
3tww
RCSB PDB
PDBbind
16-mer
3twx
RCSB PDB
PDBbind
16-mer
3v3b
RCSB PDB
PDBbind
16-mer
3zqi
RCSB PDB
PDBbind
16-mer
4a2a
RCSB PDB
PDBbind
16-mer
4a7j
RCSB PDB
PDBbind
16-mer
4edu
RCSB PDB
PDBbind
16-mer
4hs6
RCSB PDB
PDBbind
16-mer
4hs8
RCSB PDB
PDBbind
16-mer
4is6
RCSB PDB
PDBbind
16-mer
4j8r
RCSB PDB
PDBbind
16-mer
4l3o
RCSB PDB
PDBbind
16-mer
4nuf
RCSB PDB
PDBbind
16-mer
4odk
RCSB PDB
PDBbind
16-mer
4odl
RCSB PDB
PDBbind
16-mer
4odm
RCSB PDB
PDBbind
16-mer
4odp
RCSB PDB
PDBbind
16-mer
4odq
RCSB PDB
PDBbind
16-mer
4pz5
RCSB PDB
PDBbind
16-mer
4qq4
RCSB PDB
PDBbind
16-mer
4tzm
RCSB PDB
PDBbind
16-mer
4tzn
RCSB PDB
PDBbind
16-mer
4u2w
RCSB PDB
PDBbind
16-mer
4ud7
RCSB PDB
PDBbind
16-mer
4ue1
RCSB PDB
PDBbind
16-mer
4wci
RCSB PDB
PDBbind
16-mer
4wy7
RCSB PDB
PDBbind
16-mer
4yhp
RCSB PDB
PDBbind
16-mer
4zdu
RCSB PDB
PDBbind
16-mer
5eta
RCSB PDB
PDBbind
16-mer
5hhx
RCSB PDB
PDBbind
16-mer
5iay
RCSB PDB
PDBbind
16-mer
5icx
RCSB PDB
PDBbind
16-mer
5iy4
RCSB PDB
PDBbind
16-mer
5klr
RCSB PDB
PDBbind
16-mer
5klt
RCSB PDB
PDBbind
16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
3g7l
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Chromo domain-containing protein 1, Chp1
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.19uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Mol.Cell Vol. 34: pp. 36-46
Ligand Properties
Formula
C
3
6
H
7
3
N
1
3
O
1
1
Molecular Weight
864.045
Exact Mass
863.555
No. of atoms
133
No. of bonds
132
Polar Surface Area
416.74
LOGP Value
-5.04 (
Computed with XLOGP3
)
-4.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 38
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 0
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)O)CO)CCCC[N+](C)(C)C)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)[NH3+]
InChI String
InChI=1S/C36H69N13O11/c1-20(43-34(58)28(21(2)51)48-33(57)25(14-15-27(39)52)45-30(54)22(38)11-6-8-16-37)29(53)44-24(13-10-17-42-36(40)41)31(55)46-23(12-7-9-18-49(3,4)5)32(56)47-26(19-50)35(59)60/h20-26,28,50-51H,6-19,37-38H2,1-5H3,(H12-,39,40,41,42,43,44,45,46,47,48,52,53,54,55,56,57,58,59,60)/p+4/t20-,21+,22-,23-,24-,25-,26-,28-/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):
P09988
Q10103
Entrez Gene ID
NCBI Entrez Gene ID:
2539804
2541220
2542467
2542239
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com