Browse entries in the PDBbind-CN Database
HEADER 5D6Y_COMPLEX COMPND 5D6Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 108 SER ILE THR ALA GLY GLN LYS VAL ILE SER LYS HIS LYS SEQRES 2 A 108 ASN GLY ARG PHE TYR GLN CYS GLU VAL VAL ARG LEU THR SEQRES 3 A 108 THR GLU THR PHE TYR GLU VAL ASN PHE ASP ASP GLY SER SEQRES 4 A 108 PHE SER ASP ASN LEU TYR PRO GLU ASP ILE VAL SER GLN SEQRES 5 A 108 ASP CYS LEU GLN PHE GLY PRO PRO ALA GLU GLY GLU VAL SEQRES 6 A 108 VAL GLN VAL ARG TRP THR ASP GLY GLN VAL TYR GLY ALA SEQRES 7 A 108 LYS PHE VAL ALA SER HIS PRO ILE GLN MET TYR GLN VAL SEQRES 8 A 108 GLU PHE GLU ASP GLY SER GLN LEU VAL VAL LYS ARG ASP SEQRES 9 A 108 ASP VAL TYR THR HET GLN A 135 160 ATOM 1 N SER A 898 33.202 -47.581 8.305 1.00 75.17 N ATOM 2 CA SER A 898 33.568 -46.466 7.441 1.00 75.37 C ATOM 3 C SER A 898 33.646 -45.101 8.166 1.00 79.47 C ATOM 4 O SER A 898 33.715 -45.031 9.395 1.00 76.82 O ATOM 5 CB SER A 898 32.582 -46.379 6.276 1.00 87.27 C ATOM 6 OG SER A 898 31.237 -46.377 6.736 1.00 92.05 O ATOM 7 HG SER A 898 30.624 -46.320 5.960 1.00 0.00 H ATOM 8 HN3 SER A 898 32.266 -47.402 8.722 1.00 0.00 H ATOM 9 HN2 SER A 898 33.908 -47.677 9.063 1.00 0.00 H ATOM 10 HN1 SER A 898 33.172 -48.457 7.745 1.00 0.00 H ATOM 11 N ILE A 899 33.604 -44.025 7.379 1.00 82.46 N ATOM 12 CA ILE A 899 33.968 -42.675 7.821 1.00 73.02 C ATOM 13 C ILE A 899 32.818 -41.661 7.779 1.00 73.35 C ATOM 14 O ILE A 899 32.091 -41.561 6.781 1.00 77.97 O ATOM 15 CB ILE A 899 35.102 -42.101 6.921 1.00 68.29 C ATOM 16 CG1 ILE A 899 36.271 -43.080 6.775 1.00 64.68 C ATOM 17 CG2 ILE A 899 35.554 -40.722 7.394 1.00 63.75 C ATOM 18 CD1 ILE A 899 37.111 -43.220 7.990 1.00 73.23 C ATOM 19 H ILE A 899 33.295 -44.151 6.394 1.00 0.00 H ATOM 20 N THR A 900 32.712 -40.868 8.840 1.00 69.98 N ATOM 21 CA THR A 900 31.817 -39.722 8.883 1.00 66.39 C ATOM 22 C THR A 900 32.647 -38.445 8.971 1.00 62.05 C ATOM 23 O THR A 900 33.864 -38.510 9.066 1.00 59.65 O ATOM 24 CB THR A 900 30.857 -39.786 10.086 1.00 71.81 C ATOM 25 OG1 THR A 900 31.613 -39.669 11.300 1.00 75.22 O ATOM 26 CG2 THR A 900 30.084 -41.107 10.102 1.00 68.56 C ATOM 27 HG1 THR A 900 30.999 -39.710 12.075 1.00 0.00 H ATOM 28 H THR A 900 33.294 -41.076 9.676 1.00 0.00 H ATOM 29 N ALA A 901 31.992 -37.287 8.964 1.00 69.58 N ATOM 30 CA ALA A 901 32.695 -35.994 8.988 1.00 64.47 C ATOM 31 C ALA A 901 33.158 -35.596 10.383 1.00 61.71 C ATOM 32 O ALA A 901 32.469 -35.882 11.359 1.00 77.20 O ATOM 33 CB ALA A 901 31.803 -34.915 8.431 1.00 65.08 C ATOM 34 H ALA A 901 30.952 -37.296 8.941 1.00 0.00 H ATOM 35 N GLY A 902 34.276 -34.875 10.472 1.00 51.62 N ATOM 36 CA GLY A 902 34.852 -34.491 11.754 1.00 54.67 C ATOM 37 C GLY A 902 35.827 -35.522 12.319 1.00 55.48 C ATOM 38 O GLY A 902 36.550 -35.264 13.282 1.00 59.03 O ATOM 39 H GLY A 902 34.753 -34.577 9.597 1.00 0.00 H ATOM 40 N GLN A 903 35.819 -36.707 11.722 1.00 57.70 N ATOM 41 CA GLN A 903 36.661 -37.822 12.142 1.00 46.15 C ATOM 42 C GLN A 903 38.147 -37.606 11.859 1.00 42.61 C ATOM 43 O GLN A 903 38.522 -37.096 10.804 1.00 40.76 O ATOM 44 CB GLN A 903 36.179 -39.088 11.430 1.00 49.76 C ATOM 45 CG GLN A 903 36.765 -40.375 11.942 1.00 58.10 C ATOM 46 CD GLN A 903 36.097 -41.594 11.335 1.00 65.46 C ATOM 47 OE1 GLN A 903 34.920 -41.556 10.962 1.00 64.88 O ATOM 48 NE2 GLN A 903 36.841 -42.693 11.244 1.00 66.29 N ATOM 49 HE22 GLN A 903 37.828 -42.681 11.570 1.00 0.00 H ATOM 50 HE21 GLN A 903 36.435 -43.564 10.847 1.00 0.00 H ATOM 51 H GLN A 903 35.180 -36.848 10.914 1.00 0.00 H ATOM 52 N LYS A 904 38.993 -38.083 12.763 1.00 42.86 N ATOM 53 CA LYS A 904 40.438 -38.052 12.559 1.00 46.33 C ATOM 54 C LYS A 904 40.913 -39.347 11.951 1.00 40.98 C ATOM 55 O LYS A 904 40.691 -40.404 12.514 1.00 48.92 O ATOM 56 CB LYS A 904 41.183 -37.764 13.869 1.00 53.99 C ATOM 57 CG LYS A 904 41.376 -36.270 14.187 1.00 52.63 C ATOM 58 CD LYS A 904 42.275 -35.619 13.088 1.00 51.78 C ATOM 59 CE LYS A 904 42.833 -34.218 13.438 1.00 56.23 C ATOM 60 NZ LYS A 904 41.759 -33.195 13.708 1.00 56.51 N ATOM 61 HZ1 LYS A 904 41.161 -33.091 12.864 1.00 0.00 H ATOM 62 HZ2 LYS A 904 41.177 -33.509 14.510 1.00 0.00 H ATOM 63 HZ3 LYS A 904 42.201 -32.282 13.935 1.00 0.00 H ATOM 64 H LYS A 904 38.616 -38.491 13.642 1.00 0.00 H ATOM 65 N VAL A 905 41.583 -39.239 10.805 1.00 40.38 N ATOM 66 CA VAL A 905 42.024 -40.389 10.028 1.00 35.46 C ATOM 67 C VAL A 905 43.507 -40.306 9.636 1.00 37.54 C ATOM 68 O VAL A 905 44.180 -39.318 9.905 1.00 45.73 O ATOM 69 CB VAL A 905 41.170 -40.517 8.741 1.00 45.40 C ATOM 70 CG1 VAL A 905 39.684 -40.661 9.083 1.00 48.56 C ATOM 71 CG2 VAL A 905 41.394 -39.299 7.823 1.00 36.46 C ATOM 72 H VAL A 905 41.802 -38.287 10.448 1.00 0.00 H ATOM 73 N ILE A 906 44.021 -41.334 8.978 1.00 39.26 N ATOM 74 CA ILE A 906 45.374 -41.257 8.452 1.00 40.95 C ATOM 75 C ILE A 906 45.334 -41.234 6.922 1.00 34.47 C ATOM 76 O ILE A 906 44.615 -42.015 6.306 1.00 40.08 O ATOM 77 CB ILE A 906 46.241 -42.430 8.913 1.00 43.41 C ATOM 78 CG1 ILE A 906 46.210 -42.578 10.432 1.00 40.21 C ATOM 79 CG2 ILE A 906 47.650 -42.211 8.455 1.00 43.82 C ATOM 80 CD1 ILE A 906 46.842 -41.432 11.181 1.00 32.32 C ATOM 81 H ILE A 906 43.457 -42.196 8.838 1.00 0.00 H ATOM 82 N SER A 907 46.038 -40.297 6.306 1.00 35.15 N ATOM 83 CA SER A 907 46.105 -40.273 4.855 1.00 36.90 C ATOM 84 C SER A 907 47.473 -39.784 4.389 1.00 38.14 C ATOM 85 O SER A 907 48.241 -39.221 5.166 1.00 42.32 O ATOM 86 CB SER A 907 44.982 -39.389 4.294 1.00 36.79 C ATOM 87 OG SER A 907 44.690 -39.704 2.943 1.00 37.61 O ATOM 88 HG SER A 907 44.403 -40.649 2.880 1.00 0.00 H ATOM 89 H SER A 907 46.543 -39.578 6.861 1.00 0.00 H ATOM 90 N LYS A 908 47.764 -39.952 3.109 1.00 40.44 N ATOM 91 CA LYS A 908 49.072 -39.544 2.598 1.00 43.91 C ATOM 92 C LYS A 908 49.112 -38.047 2.273 1.00 47.29 C ATOM 93 O LYS A 908 48.222 -37.505 1.622 1.00 45.67 O ATOM 94 CB LYS A 908 49.445 -40.373 1.367 1.00 46.09 C ATOM 95 CG LYS A 908 50.733 -41.171 1.564 1.00 60.78 C ATOM 96 CD LYS A 908 50.941 -42.259 0.497 1.00 63.89 C ATOM 97 CE LYS A 908 52.324 -42.915 0.658 1.00 62.47 C ATOM 98 NZ LYS A 908 52.579 -43.968 -0.365 1.00 60.42 N ATOM 99 HZ1 LYS A 908 51.859 -44.713 -0.280 1.00 0.00 H ATOM 100 HZ2 LYS A 908 52.533 -43.546 -1.314 1.00 0.00 H ATOM 101 HZ3 LYS A 908 53.523 -44.377 -0.212 1.00 0.00 H ATOM 102 H LYS A 908 47.063 -40.374 2.467 1.00 0.00 H ATOM 103 N HIS A 909 50.170 -37.389 2.721 1.00 51.24 N ATOM 104 CA HIS A 909 50.343 -35.971 2.475 1.00 55.57 C ATOM 105 C HIS A 909 50.924 -35.781 1.099 1.00 53.27 C ATOM 106 O HIS A 909 51.425 -36.727 0.498 1.00 48.28 O ATOM 107 CB HIS A 909 51.272 -35.393 3.546 1.00 55.03 C ATOM 108 CG HIS A 909 51.269 -33.904 3.655 1.00 58.87 C ATOM 109 ND1 HIS A 909 52.168 -33.104 2.964 1.00 66.46 N ATOM 110 CD2 HIS A 909 50.517 -33.060 4.393 1.00 65.80 C ATOM 111 CE1 HIS A 909 51.962 -31.845 3.280 1.00 69.67 C ATOM 112 NE2 HIS A 909 50.957 -31.782 4.141 1.00 72.15 N ATOM 113 H HIS A 909 50.895 -37.902 3.263 1.00 0.00 H ATOM 114 N LYS A 910 50.932 -34.540 0.641 1.00 54.20 N ATOM 115 CA LYS A 910 51.519 -34.227 -0.650 1.00 61.46 C ATOM 116 C LYS A 910 53.022 -34.514 -0.621 1.00 59.10 C ATOM 117 O LYS A 910 53.598 -34.888 -1.651 1.00 56.05 O ATOM 118 CB LYS A 910 51.213 -32.785 -1.036 1.00 60.18 C ATOM 119 CG LYS A 910 51.324 -31.779 0.110 1.00 60.90 C ATOM 120 CD LYS A 910 50.982 -30.388 -0.401 1.00 68.58 C ATOM 121 CE LYS A 910 51.327 -29.292 0.594 1.00 67.66 C ATOM 122 NZ LYS A 910 50.920 -27.982 0.010 1.00 63.55 N ATOM 123 HZ1 LYS A 910 51.432 -27.828 -0.882 1.00 0.00 H ATOM 124 HZ2 LYS A 910 49.896 -27.988 -0.173 1.00 0.00 H ATOM 125 HZ3 LYS A 910 51.149 -27.219 0.679 1.00 0.00 H ATOM 126 H LYS A 910 50.513 -33.779 1.213 1.00 0.00 H ATOM 127 N ASN A 911 53.639 -34.389 0.559 1.00 55.77 N ATOM 128 CA ASN A 911 55.080 -34.657 0.689 1.00 53.81 C ATOM 129 C ASN A 911 55.441 -36.155 0.610 1.00 44.54 C ATOM 130 O ASN A 911 56.591 -36.523 0.755 1.00 49.13 O ATOM 131 CB ASN A 911 55.640 -34.077 1.997 1.00 54.24 C ATOM 132 CG ASN A 911 55.116 -34.789 3.238 1.00 49.45 C ATOM 133 OD1 ASN A 911 54.663 -35.937 3.177 1.00 55.63 O ATOM 134 ND2 ASN A 911 55.164 -34.104 4.371 1.00 48.90 N ATOM 135 HD22 ASN A 911 55.553 -33.140 4.380 1.00 0.00 H ATOM 136 HD21 ASN A 911 54.812 -34.531 5.252 1.00 0.00 H ATOM 137 H ASN A 911 53.093 -34.099 1.395 1.00 0.00 H ATOM 138 N GLY A 912 54.436 -37.014 0.512 1.00 43.51 N ATOM 139 CA GLY A 912 54.638 -38.450 0.382 1.00 44.67 C ATOM 140 C GLY A 912 54.457 -39.278 1.659 1.00 52.76 C ATOM 141 O GLY A 912 54.180 -40.481 1.593 1.00 53.85 O ATOM 142 H GLY A 912 53.463 -36.647 0.529 1.00 0.00 H ATOM 143 N ARG A 913 54.544 -38.630 2.819 1.00 47.50 N ATOM 144 CA ARG A 913 54.473 -39.331 4.113 1.00 44.16 C ATOM 145 C ARG A 913 53.029 -39.401 4.666 1.00 45.47 C ATOM 146 O ARG A 913 52.168 -38.608 4.276 1.00 42.69 O ATOM 147 CB ARG A 913 55.395 -38.637 5.122 1.00 40.70 C ATOM 148 CG ARG A 913 56.869 -38.703 4.744 1.00 49.83 C ATOM 149 CD ARG A 913 57.762 -38.058 5.784 1.00 54.55 C ATOM 150 NE ARG A 913 57.819 -38.845 7.020 1.00 58.18 N ATOM 151 CZ ARG A 913 58.650 -39.860 7.238 1.00 57.52 C ATOM 152 NH1 ARG A 913 59.522 -40.221 6.303 1.00 56.99 N ATOM 153 NH2 ARG A 913 58.620 -40.512 8.401 1.00 56.15 N ATOM 154 HE ARG A 913 57.160 -38.590 7.783 1.00 0.00 H ATOM 155 HH12 ARG A 913 60.171 -41.015 6.476 1.00 0.00 H ATOM 156 HH11 ARG A 913 59.556 -39.709 5.398 1.00 0.00 H ATOM 157 HH22 ARG A 913 59.271 -41.306 8.569 1.00 0.00 H ATOM 158 HH21 ARG A 913 57.946 -40.227 9.140 1.00 0.00 H ATOM 159 H ARG A 913 54.666 -37.597 2.811 1.00 0.00 H ATOM 160 N PHE A 914 52.756 -40.361 5.550 1.00 46.78 N ATOM 161 CA PHE A 914 51.445 -40.439 6.207 1.00 33.19 C ATOM 162 C PHE A 914 51.363 -39.522 7.414 1.00 34.19 C ATOM 163 O PHE A 914 52.311 -39.419 8.202 1.00 29.13 O ATOM 164 CB PHE A 914 51.150 -41.859 6.669 1.00 32.47 C ATOM 165 CG PHE A 914 50.671 -42.756 5.589 1.00 42.44 C ATOM 166 CD1 PHE A 914 51.579 -43.414 4.772 1.00 49.70 C ATOM 167 CD2 PHE A 914 49.305 -42.976 5.409 1.00 38.64 C ATOM 168 CE1 PHE A 914 51.138 -44.260 3.770 1.00 50.34 C ATOM 169 CE2 PHE A 914 48.843 -43.827 4.415 1.00 43.42 C ATOM 170 CZ PHE A 914 49.756 -44.473 3.591 1.00 50.95 C ATOM 171 H PHE A 914 53.485 -41.067 5.778 1.00 0.00 H ATOM 172 N TYR A 915 50.194 -38.930 7.604 1.00 31.03 N ATOM 173 CA TYR A 915 49.962 -38.052 8.744 1.00 32.73 C ATOM 174 C TYR A 915 48.541 -38.231 9.173 1.00 30.85 C ATOM 175 O TYR A 915 47.725 -38.661 8.386 1.00 33.87 O ATOM 176 CB TYR A 915 50.196 -36.568 8.420 1.00 29.95 C ATOM 177 CG TYR A 915 51.597 -36.189 7.983 1.00 33.45 C ATOM 178 CD1 TYR A 915 51.964 -36.246 6.653 1.00 33.08 C ATOM 179 CD2 TYR A 915 52.547 -35.750 8.902 1.00 36.65 C ATOM 180 CE1 TYR A 915 53.235 -35.892 6.239 1.00 29.50 C ATOM 181 CE2 TYR A 915 53.815 -35.394 8.497 1.00 33.61 C ATOM 182 CZ TYR A 915 54.157 -35.466 7.157 1.00 39.32 C ATOM 183 OH TYR A 915 55.430 -35.112 6.741 1.00 46.82 O ATOM 184 HH TYR A 915 56.095 -35.693 7.187 1.00 0.00 H ATOM 185 H TYR A 915 49.424 -39.095 6.925 1.00 0.00 H ATOM 186 N GLN A 916 48.270 -37.960 10.443 1.00 34.14 N ATOM 187 CA GLN A 916 46.918 -37.797 10.917 1.00 31.50 C ATOM 188 C GLN A 916 46.354 -36.554 10.295 1.00 32.21 C ATOM 189 O GLN A 916 47.042 -35.542 10.224 1.00 36.02 O ATOM 190 CB GLN A 916 46.880 -37.661 12.418 1.00 35.17 C ATOM 191 CG GLN A 916 45.515 -37.306 12.957 1.00 46.99 C ATOM 192 CD GLN A 916 45.558 -37.125 14.468 1.00 46.92 C ATOM 193 OE1 GLN A 916 44.862 -36.272 15.025 1.00 40.86 O ATOM 194 NE2 GLN A 916 46.382 -37.925 15.133 1.00 52.52 N ATOM 195 HE22 GLN A 916 46.949 -38.630 14.620 1.00 0.00 H ATOM 196 HE21 GLN A 916 46.460 -37.847 16.167 1.00 0.00 H ATOM 197 H GLN A 916 49.056 -37.862 11.117 1.00 0.00 H ATOM 198 N CYS A 917 45.096 -36.620 9.876 1.00 33.65 N ATOM 199 CA CYS A 917 44.424 -35.493 9.254 1.00 36.53 C ATOM 200 C CYS A 917 42.960 -35.611 9.604 1.00 35.50 C ATOM 201 O CYS A 917 42.512 -36.669 10.079 1.00 35.30 O ATOM 202 CB CYS A 917 44.632 -35.494 7.744 1.00 32.97 C ATOM 203 SG CYS A 917 44.080 -37.029 6.964 1.00 43.37 S ATOM 204 H CYS A 917 44.573 -37.511 9.998 1.00 0.00 H ATOM 205 N GLU A 918 42.213 -34.529 9.430 1.00 36.26 N ATOM 206 CA GLU A 918 40.799 -34.578 9.786 1.00 38.69 C ATOM 207 C GLU A 918 39.907 -34.591 8.531 1.00 40.03 C ATOM 208 O GLU A 918 40.204 -33.928 7.533 1.00 37.48 O ATOM 209 CB GLU A 918 40.449 -33.406 10.719 1.00 39.14 C ATOM 210 CG GLU A 918 39.057 -33.496 11.374 1.00 45.56 C ATOM 211 CD GLU A 918 38.777 -32.345 12.344 1.00 60.03 C ATOM 212 OE1 GLU A 918 39.491 -32.267 13.384 1.00 62.53 O ATOM 213 OE2 GLU A 918 37.844 -31.547 12.097 1.00 58.57 O ATOM 214 H GLU A 918 42.630 -33.657 9.045 1.00 0.00 H ATOM 215 N VAL A 919 38.764 -35.265 8.634 1.00 46.47 N ATOM 216 CA VAL A 919 37.812 -35.335 7.535 1.00 41.46 C ATOM 217 C VAL A 919 36.854 -34.180 7.640 1.00 41.90 C ATOM 218 O VAL A 919 35.995 -34.165 8.526 1.00 59.63 O ATOM 219 CB VAL A 919 37.002 -36.635 7.555 1.00 41.82 C ATOM 220 CG1 VAL A 919 35.962 -36.617 6.423 1.00 47.26 C ATOM 221 CG2 VAL A 919 37.928 -37.838 7.436 1.00 36.82 C ATOM 222 H VAL A 919 38.545 -35.755 9.525 1.00 0.00 H ATOM 223 N VAL A 920 36.944 -33.235 6.710 1.00 39.93 N ATOM 224 CA VAL A 920 36.104 -32.059 6.835 1.00 45.29 C ATOM 225 C VAL A 920 34.827 -32.120 6.003 1.00 46.75 C ATOM 226 O VAL A 920 33.829 -31.548 6.398 1.00 52.38 O ATOM 227 CB VAL A 920 36.890 -30.786 6.479 1.00 45.66 C ATOM 228 CG1 VAL A 920 38.126 -30.693 7.373 1.00 54.15 C ATOM 229 CG2 VAL A 920 37.294 -30.779 5.046 1.00 39.84 C ATOM 230 H VAL A 920 37.602 -33.336 5.911 1.00 0.00 H ATOM 231 N ARG A 921 34.837 -32.801 4.865 1.00 38.87 N ATOM 232 CA ARG A 921 33.649 -32.813 4.031 1.00 37.78 C ATOM 233 C ARG A 921 33.471 -34.191 3.371 1.00 36.24 C ATOM 234 O ARG A 921 34.439 -34.801 2.941 1.00 33.91 O ATOM 235 CB ARG A 921 33.732 -31.714 2.972 1.00 41.58 C ATOM 236 CG ARG A 921 32.447 -31.487 2.214 1.00 48.31 C ATOM 237 CD ARG A 921 32.571 -30.331 1.259 1.00 48.63 C ATOM 238 NE ARG A 921 33.136 -29.128 1.858 1.00 45.21 N ATOM 239 CZ ARG A 921 32.438 -28.201 2.492 1.00 52.88 C ATOM 240 NH1 ARG A 921 31.121 -28.329 2.633 1.00 57.76 N ATOM 241 NH2 ARG A 921 33.063 -27.145 2.994 1.00 65.92 N ATOM 242 HE ARG A 921 34.164 -28.989 1.781 1.00 0.00 H ATOM 243 HH12 ARG A 921 30.578 -27.596 3.133 1.00 0.00 H ATOM 244 HH11 ARG A 921 30.635 -29.162 2.243 1.00 0.00 H ATOM 245 HH22 ARG A 921 32.523 -26.410 3.494 1.00 0.00 H ATOM 246 HH21 ARG A 921 34.093 -27.051 2.887 1.00 0.00 H ATOM 247 H ARG A 921 35.688 -33.322 4.573 1.00 0.00 H ATOM 248 N LEU A 922 32.251 -34.652 3.269 1.00 45.52 N ATOM 249 CA LEU A 922 31.987 -35.789 2.450 1.00 41.41 C ATOM 250 C LEU A 922 31.274 -35.316 1.209 1.00 37.70 C ATOM 251 O LEU A 922 30.286 -34.650 1.287 1.00 46.23 O ATOM 252 CB LEU A 922 31.168 -36.811 3.186 1.00 34.89 C ATOM 253 CG LEU A 922 31.988 -37.910 3.807 1.00 42.46 C ATOM 254 CD1 LEU A 922 32.794 -37.454 4.989 1.00 39.70 C ATOM 255 CD2 LEU A 922 31.125 -39.060 4.189 1.00 45.17 C ATOM 256 H LEU A 922 31.475 -34.190 3.784 1.00 0.00 H ATOM 257 N THR A 923 31.809 -35.633 0.057 1.00 41.71 N ATOM 258 CA THR A 923 31.089 -35.419 -1.196 1.00 38.75 C ATOM 259 C THR A 923 30.912 -36.747 -1.946 1.00 43.24 C ATOM 260 O THR A 923 31.825 -37.600 -1.946 1.00 42.25 O ATOM 261 CB THR A 923 31.810 -34.406 -2.130 1.00 43.98 C ATOM 262 OG1 THR A 923 33.124 -34.897 -2.410 1.00 49.80 O ATOM 263 CG2 THR A 923 31.919 -33.008 -1.475 1.00 39.09 C ATOM 264 HG1 THR A 923 33.593 -34.260 -3.005 1.00 0.00 H ATOM 265 H THR A 923 32.764 -36.045 0.033 1.00 0.00 H ATOM 266 N THR A 924 29.775 -36.909 -2.616 1.00 35.44 N ATOM 267 CA THR A 924 29.626 -37.989 -3.577 1.00 29.60 C ATOM 268 C THR A 924 29.918 -37.442 -4.974 1.00 31.41 C ATOM 269 O THR A 924 29.227 -36.555 -5.492 1.00 29.89 O ATOM 270 CB THR A 924 28.233 -38.594 -3.557 1.00 38.16 C ATOM 271 OG1 THR A 924 28.012 -39.231 -2.295 1.00 34.69 O ATOM 272 CG2 THR A 924 28.114 -39.643 -4.656 1.00 27.66 C ATOM 273 HG1 THR A 924 28.094 -38.562 -1.570 1.00 0.00 H ATOM 274 H THR A 924 28.983 -36.255 -2.450 1.00 0.00 H ATOM 275 N GLU A 925 30.936 -37.987 -5.604 1.00 28.65 N ATOM 276 CA GLU A 925 31.342 -37.448 -6.890 1.00 30.98 C ATOM 277 C GLU A 925 31.233 -38.504 -7.974 1.00 27.39 C ATOM 278 O GLU A 925 31.729 -39.611 -7.792 1.00 28.15 O ATOM 279 CB GLU A 925 32.774 -36.933 -6.812 1.00 29.39 C ATOM 280 CG GLU A 925 33.171 -36.147 -8.032 1.00 45.08 C ATOM 281 CD GLU A 925 34.500 -35.446 -7.865 1.00 48.11 C ATOM 282 OE1 GLU A 925 35.036 -35.397 -6.731 1.00 42.02 O ATOM 283 OE2 GLU A 925 35.025 -34.958 -8.893 1.00 51.64 O ATOM 284 H GLU A 925 31.443 -38.793 -5.187 1.00 0.00 H ATOM 285 N THR A 926 30.664 -38.121 -9.123 1.00 27.42 N ATOM 286 CA THR A 926 30.398 -39.060 -10.217 1.00 27.10 C ATOM 287 C THR A 926 31.504 -39.012 -11.281 1.00 27.56 C ATOM 288 O THR A 926 31.840 -37.961 -11.830 1.00 28.61 O ATOM 289 CB THR A 926 29.021 -38.802 -10.903 1.00 27.32 C ATOM 290 OG1 THR A 926 27.950 -39.206 -10.034 1.00 32.55 O ATOM 291 CG2 THR A 926 28.897 -39.621 -12.228 1.00 26.69 C ATOM 292 HG1 THR A 926 27.083 -39.037 -10.481 1.00 0.00 H ATOM 293 H THR A 926 30.401 -37.122 -9.244 1.00 0.00 H ATOM 294 N PHE A 927 32.084 -40.183 -11.504 1.00 29.96 N ATOM 295 CA PHE A 927 33.138 -40.423 -12.468 1.00 35.05 C ATOM 296 C PHE A 927 32.594 -41.373 -13.532 1.00 34.54 C ATOM 297 O PHE A 927 31.842 -42.288 -13.197 1.00 26.19 O ATOM 298 CB PHE A 927 34.364 -41.058 -11.781 1.00 35.10 C ATOM 299 CG PHE A 927 35.095 -40.143 -10.835 1.00 28.63 C ATOM 300 CD1 PHE A 927 34.665 -39.973 -9.529 1.00 41.78 C ATOM 301 CD2 PHE A 927 36.235 -39.476 -11.250 1.00 35.80 C ATOM 302 CE1 PHE A 927 35.353 -39.127 -8.654 1.00 42.43 C ATOM 303 CE2 PHE A 927 36.932 -38.638 -10.392 1.00 48.01 C ATOM 304 CZ PHE A 927 36.480 -38.453 -9.093 1.00 45.96 C ATOM 305 H PHE A 927 31.756 -40.994 -10.942 1.00 0.00 H ATOM 306 N TYR A 928 32.975 -41.188 -14.794 1.00 26.90 N ATOM 307 CA TYR A 928 32.565 -42.131 -15.839 1.00 34.77 C ATOM 308 C TYR A 928 33.684 -43.111 -16.153 1.00 38.91 C ATOM 309 O TYR A 928 34.882 -42.779 -16.072 1.00 27.33 O ATOM 310 CB TYR A 928 32.131 -41.420 -17.136 1.00 30.28 C ATOM 311 CG TYR A 928 30.783 -40.722 -17.076 1.00 29.77 C ATOM 312 CD1 TYR A 928 30.317 -40.010 -18.170 1.00 28.82 C ATOM 313 CD2 TYR A 928 30.014 -40.700 -15.900 1.00 35.44 C ATOM 314 CE1 TYR A 928 29.112 -39.326 -18.134 1.00 30.59 C ATOM 315 CE2 TYR A 928 28.787 -40.021 -15.861 1.00 28.64 C ATOM 316 CZ TYR A 928 28.358 -39.334 -16.984 1.00 31.43 C ATOM 317 OH TYR A 928 27.177 -38.635 -16.986 1.00 46.54 O ATOM 318 HH TYR A 928 27.209 -37.933 -16.288 1.00 0.00 H ATOM 319 H TYR A 928 33.567 -40.369 -15.040 1.00 0.00 H ATOM 320 N GLU A 929 33.267 -44.322 -16.509 1.00 32.71 N ATOM 321 CA GLU A 929 34.168 -45.345 -16.958 1.00 27.17 C ATOM 322 C GLU A 929 33.885 -45.680 -18.411 1.00 32.32 C ATOM 323 O GLU A 929 32.714 -45.851 -18.792 1.00 34.89 O ATOM 324 CB GLU A 929 34.040 -46.595 -16.098 1.00 27.30 C ATOM 325 CG GLU A 929 35.009 -47.688 -16.530 1.00 42.48 C ATOM 326 CD GLU A 929 34.978 -48.855 -15.597 1.00 46.66 C ATOM 327 OE1 GLU A 929 35.588 -49.900 -15.919 1.00 38.96 O ATOM 328 OE2 GLU A 929 34.349 -48.706 -14.521 1.00 44.71 O ATOM 329 H GLU A 929 32.250 -44.536 -16.460 1.00 0.00 H ATOM 330 N VAL A 930 34.950 -45.764 -19.216 1.00 29.85 N ATOM 331 CA VAL A 930 34.845 -46.082 -20.637 1.00 40.26 C ATOM 332 C VAL A 930 35.939 -47.086 -21.088 1.00 37.59 C ATOM 333 O VAL A 930 37.045 -47.121 -20.526 1.00 30.34 O ATOM 334 CB VAL A 930 34.959 -44.812 -21.508 1.00 30.24 C ATOM 335 CG1 VAL A 930 33.938 -43.765 -21.078 1.00 24.62 C ATOM 336 CG2 VAL A 930 36.381 -44.279 -21.456 1.00 26.49 C ATOM 337 H VAL A 930 35.893 -45.596 -18.812 1.00 0.00 H ATOM 338 N ASN A 931 35.606 -47.892 -22.092 1.00 30.57 N ATOM 339 CA ASN A 931 36.555 -48.777 -22.747 1.00 40.93 C ATOM 340 C ASN A 931 36.961 -48.178 -24.086 1.00 36.60 C ATOM 341 O ASN A 931 36.144 -48.110 -25.000 1.00 35.98 O ATOM 342 CB ASN A 931 35.965 -50.170 -23.003 1.00 41.01 C ATOM 343 CG ASN A 931 35.888 -51.011 -21.745 1.00 41.28 C ATOM 344 OD1 ASN A 931 36.576 -50.733 -20.760 1.00 45.66 O ATOM 345 ND2 ASN A 931 35.082 -52.070 -21.786 1.00 33.53 N ATOM 346 HD22 ASN A 931 34.521 -52.264 -22.640 1.00 0.00 H ATOM 347 HD21 ASN A 931 35.014 -52.704 -20.964 1.00 0.00 H ATOM 348 H ASN A 931 34.620 -47.889 -22.424 1.00 0.00 H ATOM 349 N PHE A 932 38.193 -47.710 -24.203 1.00 34.01 N ATOM 350 CA PHE A 932 38.642 -47.121 -25.458 1.00 38.84 C ATOM 351 C PHE A 932 38.812 -48.245 -26.490 1.00 44.70 C ATOM 352 O PHE A 932 38.909 -49.427 -26.117 1.00 44.22 O ATOM 353 CB PHE A 932 39.937 -46.331 -25.241 1.00 33.84 C ATOM 354 CG PHE A 932 39.754 -45.099 -24.392 1.00 31.78 C ATOM 355 CD1 PHE A 932 40.081 -45.125 -23.031 1.00 39.80 C ATOM 356 CD2 PHE A 932 39.207 -43.934 -24.925 1.00 31.15 C ATOM 357 CE1 PHE A 932 39.904 -43.983 -22.205 1.00 36.06 C ATOM 358 CE2 PHE A 932 39.024 -42.789 -24.125 1.00 31.23 C ATOM 359 CZ PHE A 932 39.373 -42.816 -22.755 1.00 34.01 C ATOM 360 H PHE A 932 38.845 -47.763 -23.394 1.00 0.00 H ATOM 361 N ASP A 933 38.801 -47.887 -27.778 1.00 44.33 N ATOM 362 CA ASP A 933 38.920 -48.859 -28.878 1.00 42.74 C ATOM 363 C ASP A 933 40.260 -49.592 -28.934 1.00 44.45 C ATOM 364 O ASP A 933 40.397 -50.624 -29.602 1.00 54.93 O ATOM 365 CB ASP A 933 38.679 -48.171 -30.216 1.00 43.49 C ATOM 366 CG ASP A 933 37.243 -47.692 -30.380 1.00 53.03 C ATOM 367 OD1 ASP A 933 36.319 -48.223 -29.713 1.00 50.47 O ATOM 368 OD2 ASP A 933 37.027 -46.788 -31.211 1.00 68.66 O ATOM 369 H ASP A 933 38.704 -46.879 -28.013 1.00 0.00 H ATOM 370 N ASP A 934 41.251 -49.069 -28.236 1.00 43.67 N ATOM 371 CA ASP A 934 42.573 -49.659 -28.263 1.00 48.55 C ATOM 372 C ASP A 934 42.710 -50.703 -27.163 1.00 55.68 C ATOM 373 O ASP A 934 43.798 -51.243 -26.942 1.00 56.24 O ATOM 374 CB ASP A 934 43.635 -48.584 -28.075 1.00 51.37 C ATOM 375 CG ASP A 934 43.578 -47.954 -26.692 1.00 54.46 C ATOM 376 OD1 ASP A 934 42.491 -47.975 -26.078 1.00 53.15 O ATOM 377 OD2 ASP A 934 44.615 -47.444 -26.213 1.00 63.78 O ATOM 378 H ASP A 934 41.080 -48.221 -27.659 1.00 0.00 H ATOM 379 N GLY A 935 41.629 -50.980 -26.443 1.00 48.06 N ATOM 380 CA GLY A 935 41.714 -51.998 -25.416 1.00 43.75 C ATOM 381 C GLY A 935 42.049 -51.497 -24.032 1.00 42.55 C ATOM 382 O GLY A 935 42.207 -52.287 -23.112 1.00 52.30 O ATOM 383 H GLY A 935 40.736 -50.474 -26.614 1.00 0.00 H ATOM 384 N SER A 936 42.257 -50.193 -23.900 1.00 41.44 N ATOM 385 CA SER A 936 42.516 -49.590 -22.597 1.00 42.83 C ATOM 386 C SER A 936 41.209 -49.121 -21.983 1.00 38.81 C ATOM 387 O SER A 936 40.150 -49.224 -22.602 1.00 38.81 O ATOM 388 CB SER A 936 43.523 -48.430 -22.701 1.00 47.50 C ATOM 389 OG SER A 936 42.997 -47.325 -23.419 1.00 39.69 O ATOM 390 HG SER A 936 42.762 -47.611 -24.337 1.00 0.00 H ATOM 391 H SER A 936 42.235 -49.587 -24.745 1.00 0.00 H ATOM 392 N PHE A 937 41.266 -48.666 -20.740 1.00 37.70 N ATOM 393 CA PHE A 937 40.065 -48.170 -20.079 1.00 37.35 C ATOM 394 C PHE A 937 40.406 -47.058 -19.092 1.00 36.27 C ATOM 395 O PHE A 937 41.542 -46.973 -18.609 1.00 38.21 O ATOM 396 CB PHE A 937 39.340 -49.298 -19.362 1.00 37.46 C ATOM 397 CG PHE A 937 39.886 -49.566 -18.012 1.00 43.90 C ATOM 398 CD1 PHE A 937 39.224 -49.127 -16.878 1.00 42.71 C ATOM 399 CD2 PHE A 937 41.088 -50.245 -17.872 1.00 45.55 C ATOM 400 CE1 PHE A 937 39.752 -49.384 -15.618 1.00 48.81 C ATOM 401 CE2 PHE A 937 41.626 -50.497 -16.624 1.00 43.88 C ATOM 402 CZ PHE A 937 40.961 -50.069 -15.495 1.00 44.72 C ATOM 403 H PHE A 937 42.174 -48.663 -20.232 1.00 0.00 H ATOM 404 N SER A 938 39.429 -46.194 -18.826 1.00 33.15 N ATOM 405 CA SER A 938 39.549 -45.171 -17.787 1.00 31.18 C ATOM 406 C SER A 938 38.282 -45.202 -16.962 1.00 37.48 C ATOM 407 O SER A 938 37.192 -45.320 -17.528 1.00 30.54 O ATOM 408 CB SER A 938 39.760 -43.791 -18.384 1.00 30.83 C ATOM 409 OG SER A 938 39.455 -42.786 -17.441 1.00 29.61 O ATOM 410 HG SER A 938 40.044 -42.886 -16.651 1.00 0.00 H ATOM 411 H SER A 938 38.548 -46.248 -19.377 1.00 0.00 H ATOM 412 N ASP A 939 38.408 -45.179 -15.637 1.00 34.06 N ATOM 413 CA ASP A 939 37.217 -45.166 -14.782 1.00 31.15 C ATOM 414 C ASP A 939 37.134 -43.888 -13.982 1.00 35.60 C ATOM 415 O ASP A 939 36.369 -43.791 -13.016 1.00 31.30 O ATOM 416 CB ASP A 939 37.188 -46.369 -13.832 1.00 37.79 C ATOM 417 CG ASP A 939 38.433 -46.466 -12.955 1.00 42.53 C ATOM 418 OD1 ASP A 939 39.191 -45.480 -12.817 1.00 55.11 O ATOM 419 OD2 ASP A 939 38.668 -47.550 -12.381 1.00 52.17 O ATOM 420 H ASP A 939 39.355 -45.170 -15.207 1.00 0.00 H ATOM 421 N ASN A 940 37.937 -42.901 -14.355 1.00 36.42 N ATOM 422 CA ASN A 940 37.910 -41.685 -13.558 1.00 30.97 C ATOM 423 C ASN A 940 37.745 -40.476 -14.453 1.00 27.53 C ATOM 424 O ASN A 940 38.312 -39.435 -14.210 1.00 28.12 O ATOM 425 CB ASN A 940 39.156 -41.599 -12.663 1.00 28.57 C ATOM 426 CG ASN A 940 40.442 -41.764 -13.430 1.00 40.30 C ATOM 427 OD1 ASN A 940 40.492 -41.566 -14.646 1.00 46.18 O ATOM 428 ND2 ASN A 940 41.487 -42.197 -12.734 1.00 42.25 N ATOM 429 HD22 ASN A 940 41.401 -42.351 -11.709 1.00 0.00 H ATOM 430 HD21 ASN A 940 42.391 -42.382 -13.214 1.00 0.00 H ATOM 431 H ASN A 940 38.560 -42.993 -15.183 1.00 0.00 H ATOM 432 N LEU A 941 36.931 -40.629 -15.489 1.00 29.17 N ATOM 433 CA LEU A 941 36.613 -39.524 -16.382 1.00 27.05 C ATOM 434 C LEU A 941 35.528 -38.591 -15.825 1.00 31.60 C ATOM 435 O LEU A 941 34.560 -39.029 -15.163 1.00 34.04 O ATOM 436 CB LEU A 941 36.111 -40.042 -17.710 1.00 27.14 C ATOM 437 CG LEU A 941 36.986 -40.789 -18.676 1.00 28.82 C ATOM 438 CD1 LEU A 941 35.997 -41.548 -19.504 1.00 43.34 C ATOM 439 CD2 LEU A 941 37.722 -39.818 -19.552 1.00 28.93 C ATOM 440 H LEU A 941 36.509 -41.563 -15.668 1.00 0.00 H ATOM 441 N TYR A 942 35.665 -37.304 -16.135 1.00 27.41 N ATOM 442 CA TYR A 942 34.605 -36.349 -15.851 1.00 26.52 C ATOM 443 C TYR A 942 33.483 -36.565 -16.840 1.00 26.76 C ATOM 444 O TYR A 942 33.740 -36.939 -17.975 1.00 31.14 O ATOM 445 CB TYR A 942 35.116 -34.922 -15.989 1.00 27.89 C ATOM 446 CG TYR A 942 36.013 -34.443 -14.880 1.00 34.74 C ATOM 447 CD1 TYR A 942 35.486 -33.666 -13.838 1.00 26.78 C ATOM 448 CD2 TYR A 942 37.369 -34.737 -14.873 1.00 26.82 C ATOM 449 CE1 TYR A 942 36.255 -33.198 -12.844 1.00 26.65 C ATOM 450 CE2 TYR A 942 38.173 -34.266 -13.848 1.00 40.29 C ATOM 451 CZ TYR A 942 37.594 -33.490 -12.828 1.00 37.85 C ATOM 452 OH TYR A 942 38.361 -33.001 -11.792 1.00 36.90 O ATOM 453 HH TYR A 942 37.787 -32.482 -11.175 1.00 0.00 H ATOM 454 H TYR A 942 36.543 -36.976 -16.587 1.00 0.00 H ATOM 455 N PRO A 943 32.239 -36.322 -16.426 1.00 29.22 N ATOM 456 CA PRO A 943 31.167 -36.478 -17.413 1.00 27.42 C ATOM 457 C PRO A 943 31.354 -35.552 -18.625 1.00 37.04 C ATOM 458 O PRO A 943 30.955 -35.923 -19.743 1.00 38.94 O ATOM 459 CB PRO A 943 29.908 -36.119 -16.621 1.00 26.97 C ATOM 460 CG PRO A 943 30.237 -36.526 -15.213 1.00 25.92 C ATOM 461 CD PRO A 943 31.716 -36.235 -15.047 1.00 34.09 C ATOM 462 N GLU A 944 31.965 -34.385 -18.446 1.00 28.75 N ATOM 463 CA GLU A 944 32.001 -33.449 -19.559 1.00 28.98 C ATOM 464 C GLU A 944 33.146 -33.782 -20.518 1.00 31.01 C ATOM 465 O GLU A 944 33.319 -33.103 -21.548 1.00 31.46 O ATOM 466 CB GLU A 944 32.053 -31.984 -19.065 1.00 28.65 C ATOM 467 CG GLU A 944 32.937 -31.683 -17.929 1.00 37.91 C ATOM 468 CD GLU A 944 32.293 -32.090 -16.580 1.00 32.77 C ATOM 469 OE1 GLU A 944 32.513 -33.236 -16.146 1.00 28.47 O ATOM 470 OE2 GLU A 944 31.576 -31.276 -15.957 1.00 31.91 O ATOM 471 H GLU A 944 32.406 -34.147 -17.534 1.00 0.00 H ATOM 472 N ASP A 945 33.924 -34.819 -20.191 1.00 31.43 N ATOM 473 CA ASP A 945 34.921 -35.323 -21.130 1.00 32.22 C ATOM 474 C ASP A 945 34.232 -36.164 -22.243 1.00 38.45 C ATOM 475 O ASP A 945 34.907 -36.596 -23.174 1.00 37.83 O ATOM 476 CB ASP A 945 36.030 -36.129 -20.442 1.00 30.43 C ATOM 477 CG ASP A 945 36.891 -35.270 -19.498 1.00 45.29 C ATOM 478 OD1 ASP A 945 37.110 -34.071 -19.814 1.00 48.20 O ATOM 479 OD2 ASP A 945 37.414 -35.814 -18.480 1.00 33.39 O ATOM 480 H ASP A 945 33.818 -35.270 -19.260 1.00 0.00 H ATOM 481 N ILE A 946 32.922 -36.439 -22.110 1.00 29.83 N ATOM 482 CA ILE A 946 32.101 -37.017 -23.196 1.00 30.14 C ATOM 483 C ILE A 946 31.631 -35.917 -24.176 1.00 43.91 C ATOM 484 O ILE A 946 30.868 -35.010 -23.790 1.00 41.46 O ATOM 485 CB ILE A 946 30.859 -37.783 -22.678 1.00 29.67 C ATOM 486 CG1 ILE A 946 31.263 -38.859 -21.655 1.00 36.93 C ATOM 487 CG2 ILE A 946 30.098 -38.404 -23.839 1.00 31.46 C ATOM 488 CD1 ILE A 946 31.945 -40.062 -22.238 1.00 37.30 C ATOM 489 H ILE A 946 32.464 -36.235 -21.199 1.00 0.00 H ATOM 490 N VAL A 947 32.132 -35.954 -25.415 1.00 31.80 N ATOM 491 CA VAL A 947 31.849 -34.887 -26.380 1.00 32.91 C ATOM 492 C VAL A 947 30.760 -35.222 -27.419 1.00 42.74 C ATOM 493 O VAL A 947 30.287 -34.324 -28.113 1.00 44.80 O ATOM 494 CB VAL A 947 33.142 -34.480 -27.104 1.00 42.64 C ATOM 495 CG1 VAL A 947 34.068 -33.739 -26.161 1.00 33.31 C ATOM 496 CG2 VAL A 947 33.838 -35.725 -27.682 1.00 38.41 C ATOM 497 H VAL A 947 32.733 -36.754 -25.699 1.00 0.00 H ATOM 498 N SER A 948 30.365 -36.496 -27.513 1.00 37.28 N ATOM 499 CA SER A 948 29.323 -36.954 -28.433 1.00 35.61 C ATOM 500 C SER A 948 27.878 -36.851 -27.888 1.00 38.01 C ATOM 501 O SER A 948 26.930 -37.210 -28.579 1.00 45.26 O ATOM 502 CB SER A 948 29.616 -38.388 -28.871 1.00 35.22 C ATOM 503 OG SER A 948 29.779 -39.253 -27.772 1.00 33.91 O ATOM 504 HG SER A 948 28.950 -39.258 -27.231 1.00 0.00 H ATOM 505 H SER A 948 30.823 -37.200 -26.899 1.00 0.00 H ATOM 506 N GLN A 949 27.727 -36.424 -26.635 1.00 32.60 N ATOM 507 CA GLN A 949 26.425 -36.099 -26.023 1.00 35.41 C ATOM 508 C GLN A 949 26.635 -35.191 -24.809 1.00 36.87 C ATOM 509 O GLN A 949 27.765 -35.068 -24.339 1.00 35.58 O ATOM 510 CB GLN A 949 25.642 -37.369 -25.648 1.00 35.29 C ATOM 511 CG GLN A 949 26.465 -38.518 -25.110 1.00 30.86 C ATOM 512 CD GLN A 949 25.606 -39.740 -24.805 1.00 43.93 C ATOM 513 OE1 GLN A 949 25.762 -40.800 -25.427 1.00 46.61 O ATOM 514 NE2 GLN A 949 24.695 -39.604 -23.843 1.00 44.85 N ATOM 515 HE22 GLN A 949 24.596 -38.696 -23.345 1.00 0.00 H ATOM 516 HE21 GLN A 949 24.082 -40.405 -23.590 1.00 0.00 H ATOM 517 H GLN A 949 28.581 -36.313 -26.052 1.00 0.00 H ATOM 518 N ASP A 950 25.579 -34.481 -24.395 1.00 35.58 N ATOM 519 CA ASP A 950 25.617 -33.504 -23.280 1.00 35.36 C ATOM 520 C ASP A 950 25.210 -34.150 -21.934 1.00 33.03 C ATOM 521 O ASP A 950 24.050 -34.065 -21.505 1.00 31.91 O ATOM 522 CB ASP A 950 24.705 -32.288 -23.595 1.00 30.61 C ATOM 523 CG ASP A 950 24.799 -31.156 -22.539 1.00 30.21 C ATOM 524 OD1 ASP A 950 25.427 -31.324 -21.464 1.00 33.12 O ATOM 525 OD2 ASP A 950 24.192 -30.090 -22.768 1.00 30.65 O ATOM 526 H ASP A 950 24.674 -34.623 -24.887 1.00 0.00 H ATOM 527 N CYS A 951 26.176 -34.765 -21.261 1.00 29.56 N ATOM 528 CA CYS A 951 25.889 -35.542 -20.059 1.00 27.48 C ATOM 529 C CYS A 951 25.572 -34.735 -18.794 1.00 29.07 C ATOM 530 O CYS A 951 24.827 -35.205 -17.934 1.00 31.38 O ATOM 531 CB CYS A 951 27.051 -36.480 -19.791 1.00 26.87 C ATOM 532 SG CYS A 951 27.228 -37.748 -21.080 1.00 69.27 S ATOM 533 H CYS A 951 27.157 -34.691 -21.597 1.00 0.00 H ATOM 534 N LEU A 952 26.098 -33.526 -18.672 1.00 29.95 N ATOM 535 CA LEU A 952 25.744 -32.731 -17.496 1.00 36.00 C ATOM 536 C LEU A 952 24.269 -32.443 -17.531 1.00 38.85 C ATOM 537 O LEU A 952 23.606 -32.478 -16.491 1.00 32.63 O ATOM 538 CB LEU A 952 26.496 -31.408 -17.416 1.00 30.32 C ATOM 539 CG LEU A 952 27.908 -31.414 -16.872 1.00 36.77 C ATOM 540 CD1 LEU A 952 28.215 -30.014 -16.392 1.00 38.90 C ATOM 541 CD2 LEU A 952 28.074 -32.423 -15.734 1.00 43.47 C ATOM 542 H LEU A 952 26.746 -33.151 -19.394 1.00 0.00 H ATOM 543 N GLN A 953 23.762 -32.171 -18.732 1.00 32.63 N ATOM 544 CA GLN A 953 22.362 -31.825 -18.873 1.00 40.68 C ATOM 545 C GLN A 953 21.421 -33.034 -18.941 1.00 34.25 C ATOM 546 O GLN A 953 20.342 -32.985 -18.375 1.00 34.97 O ATOM 547 CB GLN A 953 22.147 -30.930 -20.085 1.00 38.02 C ATOM 548 CG GLN A 953 20.727 -30.422 -20.113 1.00 41.46 C ATOM 549 CD GLN A 953 20.519 -29.266 -21.061 1.00 55.26 C ATOM 550 OE1 GLN A 953 19.705 -28.383 -20.783 1.00 56.83 O ATOM 551 NE2 GLN A 953 21.228 -29.269 -22.202 1.00 56.30 N ATOM 552 HE22 GLN A 953 21.904 -30.036 -22.392 1.00 0.00 H ATOM 553 HE21 GLN A 953 21.101 -28.504 -22.895 1.00 0.00 H ATOM 554 H GLN A 953 24.374 -32.207 -19.572 1.00 0.00 H ATOM 555 N PHE A 954 21.819 -34.108 -19.633 1.00 36.18 N ATOM 556 CA PHE A 954 20.912 -35.251 -19.917 1.00 36.69 C ATOM 557 C PHE A 954 21.356 -36.586 -19.328 1.00 34.36 C ATOM 558 O PHE A 954 20.802 -37.642 -19.671 1.00 33.71 O ATOM 559 CB PHE A 954 20.739 -35.470 -21.431 1.00 32.07 C ATOM 560 CG PHE A 954 20.208 -34.290 -22.168 1.00 34.28 C ATOM 561 CD1 PHE A 954 21.022 -33.572 -23.019 1.00 39.26 C ATOM 562 CD2 PHE A 954 18.884 -33.888 -21.998 1.00 46.35 C ATOM 563 CE1 PHE A 954 20.526 -32.468 -23.715 1.00 38.90 C ATOM 564 CE2 PHE A 954 18.364 -32.800 -22.679 1.00 43.49 C ATOM 565 CZ PHE A 954 19.191 -32.074 -23.540 1.00 42.73 C ATOM 566 H PHE A 954 22.797 -34.144 -19.984 1.00 0.00 H ATOM 567 N GLY A 955 22.362 -36.552 -18.467 1.00 33.81 N ATOM 568 CA GLY A 955 22.805 -37.770 -17.818 1.00 35.95 C ATOM 569 C GLY A 955 23.728 -38.659 -18.644 1.00 31.82 C ATOM 570 O GLY A 955 24.074 -38.346 -19.783 1.00 25.20 O ATOM 571 H GLY A 955 22.835 -35.650 -18.256 1.00 0.00 H ATOM 572 N PRO A 956 24.103 -39.807 -18.072 1.00 23.88 N ATOM 573 CA PRO A 956 25.131 -40.658 -18.673 1.00 23.14 C ATOM 574 C PRO A 956 24.646 -41.358 -19.943 1.00 29.45 C ATOM 575 O PRO A 956 23.464 -41.659 -20.030 1.00 28.74 O ATOM 576 CB PRO A 956 25.426 -41.675 -17.552 1.00 22.21 C ATOM 577 CG PRO A 956 24.137 -41.757 -16.772 1.00 22.32 C ATOM 578 CD PRO A 956 23.551 -40.378 -16.829 1.00 23.23 C ATOM 579 N PRO A 957 25.562 -41.695 -20.866 1.00 27.25 N ATOM 580 CA PRO A 957 25.171 -42.545 -21.994 1.00 23.54 C ATOM 581 C PRO A 957 24.666 -43.880 -21.441 1.00 33.02 C ATOM 582 O PRO A 957 24.915 -44.184 -20.271 1.00 33.33 O ATOM 583 CB PRO A 957 26.491 -42.740 -22.782 1.00 32.14 C ATOM 584 CG PRO A 957 27.494 -41.806 -22.188 1.00 28.86 C ATOM 585 CD PRO A 957 27.026 -41.535 -20.773 1.00 36.15 C ATOM 586 N ALA A 958 23.919 -44.652 -22.219 1.00 36.12 N ATOM 587 CA ALA A 958 23.552 -45.973 -21.718 1.00 30.44 C ATOM 588 C ALA A 958 24.809 -46.821 -21.639 1.00 28.87 C ATOM 589 O ALA A 958 25.805 -46.585 -22.319 1.00 36.75 O ATOM 590 CB ALA A 958 22.505 -46.640 -22.591 1.00 35.99 C ATOM 591 H ALA A 958 23.605 -44.327 -23.156 1.00 0.00 H ATOM 592 N GLU A 959 24.774 -47.792 -20.766 1.00 28.03 N ATOM 593 CA GLU A 959 25.853 -48.752 -20.654 1.00 38.18 C ATOM 594 C GLU A 959 26.056 -49.533 -21.985 1.00 35.79 C ATOM 595 O GLU A 959 25.097 -49.995 -22.614 1.00 31.53 O ATOM 596 CB GLU A 959 25.519 -49.624 -19.447 1.00 32.64 C ATOM 597 CG GLU A 959 26.600 -50.412 -18.817 1.00 52.20 C ATOM 598 CD GLU A 959 26.223 -50.803 -17.384 1.00 55.44 C ATOM 599 OE1 GLU A 959 25.840 -49.905 -16.596 1.00 43.67 O ATOM 600 OE2 GLU A 959 26.233 -52.010 -17.066 1.00 59.49 O ATOM 601 H GLU A 959 23.951 -47.878 -20.136 1.00 0.00 H ATOM 602 N GLY A 960 27.307 -49.612 -22.441 1.00 37.49 N ATOM 603 CA GLY A 960 27.650 -50.276 -23.695 1.00 32.77 C ATOM 604 C GLY A 960 27.451 -49.425 -24.955 1.00 40.16 C ATOM 605 O GLY A 960 27.613 -49.915 -26.087 1.00 53.27 O ATOM 606 H GLY A 960 28.070 -49.183 -21.880 1.00 0.00 H ATOM 607 N GLU A 961 27.099 -48.151 -24.774 1.00 32.16 N ATOM 608 CA GLU A 961 26.887 -47.237 -25.892 1.00 29.26 C ATOM 609 C GLU A 961 28.201 -46.708 -26.417 1.00 34.44 C ATOM 610 O GLU A 961 29.119 -46.414 -25.647 1.00 34.86 O ATOM 611 CB GLU A 961 26.001 -46.062 -25.483 1.00 28.67 C ATOM 612 CG GLU A 961 25.539 -45.208 -26.638 1.00 28.56 C ATOM 613 CD GLU A 961 24.645 -44.038 -26.223 1.00 45.79 C ATOM 614 OE1 GLU A 961 24.306 -43.243 -27.125 1.00 55.61 O ATOM 615 OE2 GLU A 961 24.279 -43.886 -25.013 1.00 44.58 O ATOM 616 H GLU A 961 26.971 -47.797 -23.804 1.00 0.00 H ATOM 617 N VAL A 962 28.289 -46.601 -27.737 1.00 44.10 N ATOM 618 CA VAL A 962 29.422 -45.984 -28.402 1.00 36.22 C ATOM 619 C VAL A 962 29.443 -44.471 -28.131 1.00 37.72 C ATOM 620 O VAL A 962 28.444 -43.777 -28.322 1.00 43.67 O ATOM 621 CB VAL A 962 29.379 -46.254 -29.909 1.00 32.45 C ATOM 622 CG1 VAL A 962 30.525 -45.520 -30.621 1.00 33.70 C ATOM 623 CG2 VAL A 962 29.462 -47.754 -30.153 1.00 32.46 C ATOM 624 H VAL A 962 27.513 -46.975 -28.320 1.00 0.00 H ATOM 625 N VAL A 963 30.583 -43.976 -27.664 1.00 41.09 N ATOM 626 CA VAL A 963 30.815 -42.563 -27.346 1.00 39.66 C ATOM 627 C VAL A 963 32.145 -42.062 -27.910 1.00 42.55 C ATOM 628 O VAL A 963 33.007 -42.865 -28.249 1.00 32.37 O ATOM 629 CB VAL A 963 30.834 -42.325 -25.838 1.00 44.23 C ATOM 630 CG1 VAL A 963 29.421 -42.570 -25.240 1.00 39.35 C ATOM 631 CG2 VAL A 963 31.935 -43.192 -25.181 1.00 28.58 C ATOM 632 H VAL A 963 31.370 -44.639 -27.512 1.00 0.00 H ATOM 633 N GLN A 964 32.281 -40.745 -28.055 1.00 32.75 N ATOM 634 CA GLN A 964 33.567 -40.141 -28.367 1.00 33.87 C ATOM 635 C GLN A 964 33.993 -39.345 -27.118 1.00 39.84 C ATOM 636 O GLN A 964 33.179 -38.593 -26.565 1.00 37.94 O ATOM 637 CB GLN A 964 33.479 -39.272 -29.631 1.00 36.27 C ATOM 638 CG GLN A 964 33.126 -40.077 -30.904 1.00 43.02 C ATOM 639 CD GLN A 964 32.738 -39.203 -32.100 1.00 54.36 C ATOM 640 OE1 GLN A 964 33.003 -37.997 -32.119 1.00 61.53 O ATOM 641 NE2 GLN A 964 32.073 -39.805 -33.088 1.00 57.46 N ATOM 642 HE22 GLN A 964 31.870 -40.824 -33.033 1.00 0.00 H ATOM 643 HE21 GLN A 964 31.758 -39.256 -33.913 1.00 0.00 H ATOM 644 H GLN A 964 31.447 -40.134 -27.942 1.00 0.00 H ATOM 645 N VAL A 965 35.222 -39.518 -26.667 1.00 33.20 N ATOM 646 CA VAL A 965 35.754 -38.959 -25.436 1.00 32.89 C ATOM 647 C VAL A 965 36.883 -37.990 -25.686 1.00 34.93 C ATOM 648 O VAL A 965 37.848 -38.372 -26.272 1.00 35.78 O ATOM 649 CB VAL A 965 36.418 -40.064 -24.590 1.00 32.16 C ATOM 650 CG1 VAL A 965 37.032 -39.556 -23.315 1.00 31.52 C ATOM 651 CG2 VAL A 965 35.480 -41.172 -24.279 1.00 37.69 C ATOM 652 H VAL A 965 35.862 -40.103 -27.241 1.00 0.00 H ATOM 653 N ARG A 966 36.808 -36.766 -25.174 1.00 44.92 N ATOM 654 CA ARG A 966 37.963 -35.857 -25.248 1.00 43.59 C ATOM 655 C ARG A 966 38.927 -36.209 -24.139 1.00 34.56 C ATOM 656 O ARG A 966 38.559 -36.169 -22.975 1.00 34.88 O ATOM 657 CB ARG A 966 37.523 -34.388 -25.158 1.00 38.75 C ATOM 658 CG ARG A 966 38.641 -33.393 -24.844 1.00 42.89 C ATOM 659 CD ARG A 966 38.148 -32.438 -23.753 1.00 48.96 C ATOM 660 NE ARG A 966 37.413 -31.341 -24.352 1.00 47.02 N ATOM 661 CZ ARG A 966 36.221 -30.937 -23.944 1.00 40.97 C ATOM 662 NH1 ARG A 966 35.612 -31.546 -22.933 1.00 34.48 N ATOM 663 NH2 ARG A 966 35.635 -29.929 -24.568 1.00 41.81 N ATOM 664 HE ARG A 966 37.850 -30.841 -25.152 1.00 0.00 H ATOM 665 HH12 ARG A 966 34.675 -31.222 -22.619 1.00 0.00 H ATOM 666 HH11 ARG A 966 36.072 -32.347 -22.455 1.00 0.00 H ATOM 667 HH22 ARG A 966 34.698 -29.600 -24.259 1.00 0.00 H ATOM 668 HH21 ARG A 966 36.111 -29.465 -25.368 1.00 0.00 H ATOM 669 H ARG A 966 35.928 -36.449 -24.719 1.00 0.00 H ATOM 670 N TRP A 967 40.144 -36.603 -24.502 1.00 34.82 N ATOM 671 CA TRP A 967 41.094 -37.053 -23.496 1.00 34.81 C ATOM 672 C TRP A 967 41.916 -35.888 -22.895 1.00 38.39 C ATOM 673 O TRP A 967 41.639 -34.726 -23.159 1.00 51.16 O ATOM 674 CB TRP A 967 41.994 -38.106 -24.124 1.00 42.18 C ATOM 675 CG TRP A 967 42.841 -38.830 -23.164 1.00 38.52 C ATOM 676 CD1 TRP A 967 44.204 -38.936 -23.187 1.00 37.01 C ATOM 677 CD2 TRP A 967 42.394 -39.576 -22.024 1.00 36.33 C ATOM 678 NE1 TRP A 967 44.632 -39.700 -22.126 1.00 42.67 N ATOM 679 CE2 TRP A 967 43.538 -40.102 -21.397 1.00 38.07 C ATOM 680 CE3 TRP A 967 41.137 -39.836 -21.468 1.00 35.92 C ATOM 681 CZ2 TRP A 967 43.463 -40.876 -20.243 1.00 37.22 C ATOM 682 CZ3 TRP A 967 41.064 -40.605 -20.333 1.00 34.08 C ATOM 683 CH2 TRP A 967 42.219 -41.121 -19.729 1.00 37.47 C ATOM 684 HE1 TRP A 967 45.622 -39.935 -21.911 1.00 0.00 H ATOM 685 H TRP A 967 40.417 -36.590 -25.505 1.00 0.00 H ATOM 686 N THR A 968 42.944 -36.189 -22.116 1.00 36.83 N ATOM 687 CA THR A 968 43.684 -35.144 -21.422 1.00 38.67 C ATOM 688 C THR A 968 44.776 -34.493 -22.300 1.00 47.80 C ATOM 689 O THR A 968 45.494 -33.589 -21.867 1.00 57.43 O ATOM 690 CB THR A 968 44.238 -35.669 -20.084 1.00 40.99 C ATOM 691 OG1 THR A 968 44.926 -36.908 -20.283 1.00 40.70 O ATOM 692 CG2 THR A 968 43.068 -35.936 -19.126 1.00 38.77 C ATOM 693 HG1 THR A 968 45.276 -37.233 -19.416 1.00 0.00 H ATOM 694 H THR A 968 43.226 -37.183 -21.999 1.00 0.00 H ATOM 695 N ASP A 969 44.894 -34.949 -23.541 1.00 54.31 N ATOM 696 CA ASP A 969 45.763 -34.284 -24.499 1.00 50.76 C ATOM 697 C ASP A 969 44.933 -33.479 -25.478 1.00 54.54 C ATOM 698 O ASP A 969 45.471 -33.046 -26.485 1.00 58.77 O ATOM 699 CB ASP A 969 46.597 -35.289 -25.307 1.00 53.38 C ATOM 700 CG ASP A 969 45.761 -36.469 -25.811 1.00 57.82 C ATOM 701 OD1 ASP A 969 44.583 -36.268 -26.201 1.00 63.57 O ATOM 702 OD2 ASP A 969 46.309 -37.588 -25.900 1.00 56.24 O ATOM 703 H ASP A 969 44.359 -35.792 -23.832 1.00 0.00 H ATOM 704 N GLY A 970 43.655 -33.227 -25.175 1.00 46.26 N ATOM 705 CA GLY A 970 42.798 -32.485 -26.091 1.00 42.26 C ATOM 706 C GLY A 970 42.147 -33.296 -27.220 1.00 50.29 C ATOM 707 O GLY A 970 41.131 -32.869 -27.803 1.00 44.60 O ATOM 708 H GLY A 970 43.267 -33.566 -24.272 1.00 0.00 H ATOM 709 N GLN A 971 42.727 -34.453 -27.551 1.00 41.70 N ATOM 710 CA GLN A 971 42.304 -35.212 -28.725 1.00 42.45 C ATOM 711 C GLN A 971 41.166 -36.183 -28.412 1.00 48.55 C ATOM 712 O GLN A 971 41.070 -36.697 -27.287 1.00 38.58 O ATOM 713 CB GLN A 971 43.470 -35.984 -29.325 1.00 43.95 C ATOM 714 CG GLN A 971 43.041 -36.782 -30.542 1.00 58.38 C ATOM 715 CD GLN A 971 44.196 -37.361 -31.332 1.00 58.60 C ATOM 716 OE1 GLN A 971 45.373 -37.125 -31.025 1.00 57.78 O ATOM 717 NE2 GLN A 971 43.860 -38.128 -32.359 1.00 47.75 N ATOM 718 HE22 GLN A 971 42.857 -38.296 -32.576 1.00 0.00 H ATOM 719 HE21 GLN A 971 44.599 -38.562 -32.948 1.00 0.00 H ATOM 720 H GLN A 971 43.498 -34.822 -26.959 1.00 0.00 H ATOM 721 N VAL A 972 40.267 -36.365 -29.383 1.00 42.77 N ATOM 722 CA VAL A 972 39.112 -37.243 -29.207 1.00 45.69 C ATOM 723 C VAL A 972 39.371 -38.703 -29.557 1.00 41.51 C ATOM 724 O VAL A 972 39.931 -39.011 -30.605 1.00 36.08 O ATOM 725 CB VAL A 972 37.939 -36.729 -30.030 1.00 49.19 C ATOM 726 CG1 VAL A 972 36.726 -37.576 -29.812 1.00 48.92 C ATOM 727 CG2 VAL A 972 37.632 -35.280 -29.643 1.00 50.78 C ATOM 728 H VAL A 972 40.392 -35.869 -30.288 1.00 0.00 H ATOM 729 N TYR A 973 38.952 -39.596 -28.658 1.00 42.71 N ATOM 730 CA TYR A 973 39.054 -41.032 -28.876 1.00 32.26 C ATOM 731 C TYR A 973 37.678 -41.700 -28.880 1.00 37.87 C ATOM 732 O TYR A 973 36.729 -41.244 -28.224 1.00 39.29 O ATOM 733 CB TYR A 973 39.928 -41.678 -27.814 1.00 36.93 C ATOM 734 CG TYR A 973 41.360 -41.195 -27.802 1.00 36.24 C ATOM 735 CD1 TYR A 973 41.744 -40.043 -27.095 1.00 32.21 C ATOM 736 CD2 TYR A 973 42.324 -41.863 -28.529 1.00 35.94 C ATOM 737 CE1 TYR A 973 43.072 -39.613 -27.103 1.00 38.22 C ATOM 738 CE2 TYR A 973 43.630 -41.445 -28.552 1.00 35.01 C ATOM 739 CZ TYR A 973 44.014 -40.324 -27.851 1.00 42.77 C ATOM 740 OH TYR A 973 45.360 -39.946 -27.924 1.00 40.46 O ATOM 741 HH TYR A 973 45.503 -39.131 -27.380 1.00 0.00 H ATOM 742 H TYR A 973 38.537 -39.253 -27.768 1.00 0.00 H ATOM 743 N GLY A 974 37.556 -42.790 -29.615 1.00 33.39 N ATOM 744 CA GLY A 974 36.313 -43.548 -29.636 1.00 35.81 C ATOM 745 C GLY A 974 36.281 -44.494 -28.454 1.00 34.47 C ATOM 746 O GLY A 974 37.338 -44.865 -27.954 1.00 40.21 O ATOM 747 H GLY A 974 38.361 -43.113 -30.189 1.00 0.00 H ATOM 748 N ALA A 975 35.095 -44.816 -27.946 1.00 30.79 N ATOM 749 CA ALA A 975 34.985 -45.719 -26.800 1.00 33.33 C ATOM 750 C ALA A 975 33.599 -46.292 -26.695 1.00 38.35 C ATOM 751 O ALA A 975 32.698 -45.944 -27.467 1.00 36.56 O ATOM 752 CB ALA A 975 35.337 -45.005 -25.520 1.00 27.46 C ATOM 753 H ALA A 975 34.232 -44.420 -28.370 1.00 0.00 H ATOM 754 N LYS A 976 33.435 -47.189 -25.736 1.00 38.31 N ATOM 755 CA LYS A 976 32.118 -47.640 -25.335 1.00 34.87 C ATOM 756 C LYS A 976 31.928 -47.242 -23.889 1.00 34.16 C ATOM 757 O LYS A 976 32.880 -47.258 -23.132 1.00 32.81 O ATOM 758 CB LYS A 976 31.940 -49.146 -25.530 1.00 31.61 C ATOM 759 CG LYS A 976 31.722 -49.524 -26.971 1.00 36.81 C ATOM 760 CD LYS A 976 31.394 -51.010 -27.151 1.00 42.92 C ATOM 761 CE LYS A 976 30.945 -51.228 -28.604 1.00 53.49 C ATOM 762 NZ LYS A 976 32.062 -50.883 -29.564 1.00 56.54 N ATOM 763 HZ1 LYS A 976 32.329 -49.886 -29.439 1.00 0.00 H ATOM 764 HZ2 LYS A 976 32.884 -51.490 -29.370 1.00 0.00 H ATOM 765 HZ3 LYS A 976 31.738 -51.037 -30.540 1.00 0.00 H ATOM 766 H LYS A 976 34.272 -47.580 -25.258 1.00 0.00 H ATOM 767 N PHE A 977 30.731 -46.775 -23.544 1.00 36.15 N ATOM 768 CA PHE A 977 30.435 -46.414 -22.173 1.00 28.90 C ATOM 769 C PHE A 977 30.324 -47.664 -21.319 1.00 32.59 C ATOM 770 O PHE A 977 29.723 -48.650 -21.719 1.00 39.61 O ATOM 771 CB PHE A 977 29.152 -45.591 -22.088 1.00 31.48 C ATOM 772 CG PHE A 977 28.904 -45.002 -20.724 1.00 27.81 C ATOM 773 CD1 PHE A 977 29.618 -43.897 -20.300 1.00 32.10 C ATOM 774 CD2 PHE A 977 27.961 -45.561 -19.876 1.00 27.89 C ATOM 775 CE1 PHE A 977 29.400 -43.346 -19.035 1.00 34.25 C ATOM 776 CE2 PHE A 977 27.731 -45.030 -18.624 1.00 32.68 C ATOM 777 CZ PHE A 977 28.456 -43.913 -18.202 1.00 38.00 C ATOM 778 H PHE A 977 29.995 -46.667 -24.271 1.00 0.00 H ATOM 779 N VAL A 978 30.931 -47.646 -20.145 1.00 36.72 N ATOM 780 CA VAL A 978 30.856 -48.808 -19.242 1.00 27.71 C ATOM 781 C VAL A 978 29.962 -48.518 -18.048 1.00 24.39 C ATOM 782 O VAL A 978 29.053 -49.293 -17.749 1.00 38.13 O ATOM 783 CB VAL A 978 32.237 -49.243 -18.742 1.00 32.68 C ATOM 784 CG1 VAL A 978 32.111 -50.362 -17.720 1.00 34.09 C ATOM 785 CG2 VAL A 978 33.124 -49.677 -19.929 1.00 23.48 C ATOM 786 H VAL A 978 31.467 -46.803 -19.856 1.00 0.00 H ATOM 787 N ALA A 979 30.220 -47.416 -17.350 1.00 27.09 N ATOM 788 CA ALA A 979 29.476 -47.118 -16.132 1.00 34.48 C ATOM 789 C ALA A 979 29.722 -45.723 -15.630 1.00 32.89 C ATOM 790 O ALA A 979 30.783 -45.167 -15.909 1.00 30.87 O ATOM 791 CB ALA A 979 29.867 -48.127 -15.003 1.00 29.03 C ATOM 792 H ALA A 979 30.959 -46.761 -17.676 1.00 0.00 H ATOM 793 N SER A 980 28.732 -45.166 -14.921 1.00 32.01 N ATOM 794 CA SER A 980 28.977 -44.033 -14.032 1.00 35.93 C ATOM 795 C SER A 980 29.082 -44.532 -12.603 1.00 31.07 C ATOM 796 O SER A 980 28.265 -45.318 -12.125 1.00 25.57 O ATOM 797 CB SER A 980 27.919 -42.945 -14.128 1.00 26.62 C ATOM 798 OG SER A 980 26.672 -43.507 -13.965 1.00 46.65 O ATOM 799 HG SER A 980 26.621 -43.942 -13.077 1.00 0.00 H ATOM 800 H SER A 980 27.768 -45.548 -15.005 1.00 0.00 H ATOM 801 N HIS A 981 30.100 -44.018 -11.930 1.00 25.54 N ATOM 802 CA HIS A 981 30.423 -44.382 -10.576 1.00 29.20 C ATOM 803 C HIS A 981 30.176 -43.246 -9.620 1.00 46.91 C ATOM 804 O HIS A 981 30.867 -42.212 -9.700 1.00 43.93 O ATOM 805 CB HIS A 981 31.883 -44.801 -10.461 1.00 29.08 C ATOM 806 CG HIS A 981 32.220 -45.999 -11.281 1.00 32.47 C ATOM 807 ND1 HIS A 981 31.855 -47.274 -10.914 1.00 30.13 N ATOM 808 CD2 HIS A 981 32.905 -46.114 -12.443 1.00 28.48 C ATOM 809 CE1 HIS A 981 32.292 -48.130 -11.825 1.00 31.27 C ATOM 810 NE2 HIS A 981 32.934 -47.453 -12.757 1.00 40.32 N ATOM 811 H HIS A 981 30.698 -43.313 -12.406 1.00 0.00 H ATOM 812 N PRO A 982 29.134 -43.386 -8.777 1.00 41.68 N ATOM 813 CA PRO A 982 29.011 -42.491 -7.617 1.00 31.77 C ATOM 814 C PRO A 982 30.022 -42.906 -6.508 1.00 32.88 C ATOM 815 O PRO A 982 29.839 -43.925 -5.840 1.00 37.92 O ATOM 816 CB PRO A 982 27.549 -42.682 -7.178 1.00 32.36 C ATOM 817 CG PRO A 982 27.170 -44.057 -7.668 1.00 27.50 C ATOM 818 CD PRO A 982 28.027 -44.362 -8.877 1.00 27.87 C ATOM 819 N ILE A 983 31.065 -42.101 -6.305 1.00 33.91 N ATOM 820 CA ILE A 983 32.191 -42.482 -5.466 1.00 30.63 C ATOM 821 C ILE A 983 32.274 -41.569 -4.266 1.00 28.11 C ATOM 822 O ILE A 983 32.204 -40.356 -4.402 1.00 28.98 O ATOM 823 CB ILE A 983 33.493 -42.413 -6.257 1.00 31.41 C ATOM 824 CG1 ILE A 983 33.521 -43.545 -7.292 1.00 45.62 C ATOM 825 CG2 ILE A 983 34.714 -42.428 -5.334 1.00 28.18 C ATOM 826 CD1 ILE A 983 34.535 -43.312 -8.412 1.00 52.10 C ATOM 827 H ILE A 983 31.074 -41.167 -6.763 1.00 0.00 H ATOM 828 N GLN A 984 32.480 -42.160 -3.098 1.00 27.72 N ATOM 829 CA GLN A 984 32.583 -41.401 -1.857 1.00 28.12 C ATOM 830 C GLN A 984 33.907 -40.674 -1.847 1.00 31.66 C ATOM 831 O GLN A 984 34.949 -41.305 -1.947 1.00 32.36 O ATOM 832 CB GLN A 984 32.462 -42.315 -0.644 1.00 31.85 C ATOM 833 CG GLN A 984 32.449 -41.580 0.683 1.00 45.97 C ATOM 834 CD GLN A 984 31.313 -40.575 0.787 1.00 40.47 C ATOM 835 OE1 GLN A 984 31.531 -39.378 0.621 1.00 37.47 O ATOM 836 NE2 GLN A 984 30.114 -41.050 1.067 1.00 35.44 N ATOM 837 HE22 GLN A 984 29.978 -42.073 1.199 1.00 0.00 H ATOM 838 HE21 GLN A 984 29.306 -40.402 1.155 1.00 0.00 H ATOM 839 H GLN A 984 32.571 -43.196 -3.065 1.00 0.00 H ATOM 840 N MET A 985 33.867 -39.370 -1.735 1.00 27.54 N ATOM 841 CA MET A 985 35.078 -38.618 -1.649 1.00 27.67 C ATOM 842 C MET A 985 35.259 -38.043 -0.292 1.00 31.33 C ATOM 843 O MET A 985 34.322 -37.768 0.381 1.00 45.47 O ATOM 844 CB MET A 985 35.141 -37.488 -2.657 1.00 37.86 C ATOM 845 CG MET A 985 34.968 -37.840 -4.115 1.00 45.60 C ATOM 846 SD MET A 985 36.043 -39.018 -4.873 1.00 79.07 S ATOM 847 CE MET A 985 37.591 -38.302 -4.457 1.00 37.17 C ATOM 848 H MET A 985 32.950 -38.880 -1.709 1.00 0.00 H ATOM 849 N TYR A 986 36.489 -37.840 0.104 1.00 36.46 N ATOM 850 CA TYR A 986 36.738 -37.272 1.444 1.00 27.88 C ATOM 851 C TYR A 986 37.710 -36.132 1.333 1.00 29.04 C ATOM 852 O TYR A 986 38.822 -36.288 0.818 1.00 25.99 O ATOM 853 CB TYR A 986 37.268 -38.299 2.443 1.00 29.81 C ATOM 854 CG TYR A 986 36.422 -39.536 2.653 1.00 30.46 C ATOM 855 CD1 TYR A 986 36.604 -40.678 1.883 1.00 39.82 C ATOM 856 CD2 TYR A 986 35.434 -39.556 3.629 1.00 31.60 C ATOM 857 CE1 TYR A 986 35.835 -41.823 2.103 1.00 43.97 C ATOM 858 CE2 TYR A 986 34.658 -40.673 3.846 1.00 37.13 C ATOM 859 CZ TYR A 986 34.865 -41.806 3.083 1.00 51.54 C ATOM 860 OH TYR A 986 34.088 -42.938 3.294 1.00 74.29 O ATOM 861 HH TYR A 986 34.368 -43.651 2.666 1.00 0.00 H ATOM 862 H TYR A 986 37.286 -38.077 -0.521 1.00 0.00 H ATOM 863 N GLN A 987 37.256 -34.967 1.742 1.00 24.37 N ATOM 864 CA GLN A 987 38.130 -33.832 1.820 1.00 26.22 C ATOM 865 C GLN A 987 38.774 -33.861 3.187 1.00 27.46 C ATOM 866 O GLN A 987 38.073 -33.757 4.195 1.00 33.02 O ATOM 867 CB GLN A 987 37.384 -32.520 1.581 1.00 24.57 C ATOM 868 CG GLN A 987 38.320 -31.324 1.572 1.00 27.45 C ATOM 869 CD GLN A 987 37.625 -30.002 1.283 1.00 33.18 C ATOM 870 OE1 GLN A 987 36.507 -29.958 0.744 1.00 36.97 O ATOM 871 NE2 GLN A 987 38.285 -28.911 1.647 1.00 33.94 N ATOM 872 HE22 GLN A 987 39.220 -28.994 2.096 1.00 0.00 H ATOM 873 HE21 GLN A 987 37.868 -27.972 1.484 1.00 0.00 H ATOM 874 H GLN A 987 36.256 -34.868 2.011 1.00 0.00 H ATOM 875 N VAL A 988 40.092 -34.044 3.223 1.00 29.27 N ATOM 876 CA VAL A 988 40.833 -34.192 4.474 1.00 27.03 C ATOM 877 C VAL A 988 41.781 -33.010 4.736 1.00 37.39 C ATOM 878 O VAL A 988 42.341 -32.420 3.811 1.00 38.25 O ATOM 879 CB VAL A 988 41.659 -35.505 4.492 1.00 27.61 C ATOM 880 CG1 VAL A 988 40.735 -36.715 4.442 1.00 27.65 C ATOM 881 CG2 VAL A 988 42.666 -35.543 3.345 1.00 25.35 C ATOM 882 H VAL A 988 40.615 -34.083 2.325 1.00 0.00 H ATOM 883 N GLU A 989 41.905 -32.614 5.992 1.00 44.15 N ATOM 884 CA GLU A 989 42.741 -31.477 6.359 1.00 36.96 C ATOM 885 C GLU A 989 43.864 -31.912 7.279 1.00 33.65 C ATOM 886 O GLU A 989 43.617 -32.622 8.254 1.00 36.44 O ATOM 887 CB GLU A 989 41.922 -30.373 7.029 1.00 37.41 C ATOM 888 CG GLU A 989 42.703 -29.073 7.291 1.00 31.76 C ATOM 889 CD GLU A 989 41.828 -27.932 7.840 1.00 38.92 C ATOM 890 OE1 GLU A 989 42.324 -26.795 7.982 1.00 46.35 O ATOM 891 OE2 GLU A 989 40.635 -28.159 8.120 1.00 50.94 O ATOM 892 H GLU A 989 41.393 -33.127 6.738 1.00 0.00 H ATOM 893 N PHE A 990 45.086 -31.502 6.946 1.00 25.59 N ATOM 894 CA PHE A 990 46.269 -31.795 7.744 1.00 31.23 C ATOM 895 C PHE A 990 46.614 -30.661 8.696 1.00 34.32 C ATOM 896 O PHE A 990 46.113 -29.548 8.567 1.00 47.56 O ATOM 897 CB PHE A 990 47.489 -32.074 6.872 1.00 24.68 C ATOM 898 CG PHE A 990 47.344 -33.258 6.007 1.00 32.83 C ATOM 899 CD1 PHE A 990 46.753 -33.144 4.756 1.00 27.73 C ATOM 900 CD2 PHE A 990 47.797 -34.483 6.430 1.00 25.03 C ATOM 901 CE1 PHE A 990 46.621 -34.237 3.953 1.00 29.94 C ATOM 902 CE2 PHE A 990 47.670 -35.575 5.631 1.00 29.20 C ATOM 903 CZ PHE A 990 47.081 -35.456 4.390 1.00 33.09 C ATOM 904 H PHE A 990 45.202 -30.946 6.075 1.00 0.00 H ATOM 905 N GLU A 991 47.415 -30.988 9.695 1.00 36.09 N ATOM 906 CA GLU A 991 47.856 -30.054 10.711 1.00 37.15 C ATOM 907 C GLU A 991 48.370 -28.699 10.163 1.00 34.24 C ATOM 908 O GLU A 991 48.223 -27.689 10.833 1.00 40.68 O ATOM 909 CB GLU A 991 48.925 -30.747 11.563 1.00 36.61 C ATOM 910 CG GLU A 991 49.057 -30.177 12.953 1.00 60.12 C ATOM 911 CD GLU A 991 50.176 -30.834 13.742 1.00 69.34 C ATOM 912 OE1 GLU A 991 50.787 -31.803 13.198 1.00 52.99 O ATOM 913 OE2 GLU A 991 50.416 -30.393 14.906 1.00 68.69 O ATOM 914 H GLU A 991 47.748 -31.972 9.755 1.00 0.00 H ATOM 915 N ASP A 992 48.934 -28.658 8.950 1.00 33.32 N ATOM 916 CA ASP A 992 49.516 -27.398 8.413 1.00 39.31 C ATOM 917 C ASP A 992 48.505 -26.537 7.632 1.00 47.78 C ATOM 918 O ASP A 992 48.883 -25.508 7.036 1.00 41.57 O ATOM 919 CB ASP A 992 50.759 -27.673 7.532 1.00 32.65 C ATOM 920 CG ASP A 992 50.435 -28.385 6.216 1.00 36.22 C ATOM 921 OD1 ASP A 992 49.287 -28.838 6.022 1.00 40.08 O ATOM 922 OD2 ASP A 992 51.361 -28.551 5.391 1.00 40.46 O ATOM 923 H ASP A 992 48.966 -29.522 8.372 1.00 0.00 H ATOM 924 N GLY A 993 47.261 -27.022 7.533 1.00 53.66 N ATOM 925 CA GLY A 993 46.149 -26.283 6.932 1.00 42.92 C ATOM 926 C GLY A 993 45.872 -26.631 5.483 1.00 44.75 C ATOM 927 O GLY A 993 44.969 -26.081 4.842 1.00 55.74 O ATOM 928 H GLY A 993 47.074 -27.976 7.903 1.00 0.00 H ATOM 929 N SER A 994 46.545 -27.664 5.011 1.00 41.93 N ATOM 930 CA SER A 994 46.490 -28.040 3.608 1.00 37.59 C ATOM 931 C SER A 994 45.509 -29.175 3.406 1.00 31.78 C ATOM 932 O SER A 994 45.398 -30.070 4.237 1.00 42.78 O ATOM 933 CB SER A 994 47.883 -28.422 3.109 1.00 31.83 C ATOM 934 OG SER A 994 48.229 -29.711 3.567 1.00 32.14 O ATOM 935 HG SER A 994 48.225 -29.720 4.557 1.00 0.00 H ATOM 936 H SER A 994 47.131 -28.225 5.662 1.00 0.00 H ATOM 937 N GLN A 995 44.681 -29.042 2.386 1.00 31.30 N ATOM 938 CA GLN A 995 43.631 -30.007 2.148 1.00 35.08 C ATOM 939 C GLN A 995 43.749 -30.769 0.837 1.00 37.01 C ATOM 940 O GLN A 995 44.181 -30.226 -0.185 1.00 38.24 O ATOM 941 CB GLN A 995 42.302 -29.308 2.239 1.00 36.66 C ATOM 942 CG GLN A 995 42.032 -28.862 3.634 1.00 37.95 C ATOM 943 CD GLN A 995 40.884 -27.917 3.696 1.00 41.60 C ATOM 944 OE1 GLN A 995 39.727 -28.327 3.662 1.00 53.12 O ATOM 945 NE2 GLN A 995 41.189 -26.635 3.751 1.00 42.41 N ATOM 946 HE22 GLN A 995 42.185 -26.338 3.778 1.00 0.00 H ATOM 947 HE21 GLN A 995 40.433 -25.921 3.767 1.00 0.00 H ATOM 948 H GLN A 995 44.786 -28.231 1.744 1.00 0.00 H ATOM 949 N LEU A 996 43.372 -32.038 0.895 1.00 32.06 N ATOM 950 CA LEU A 996 43.300 -32.891 -0.270 1.00 29.81 C ATOM 951 C LEU A 996 41.861 -33.423 -0.430 1.00 31.27 C ATOM 952 O LEU A 996 41.075 -33.438 0.529 1.00 32.26 O ATOM 953 CB LEU A 996 44.268 -34.060 -0.107 1.00 29.06 C ATOM 954 CG LEU A 996 45.726 -33.668 0.123 1.00 32.12 C ATOM 955 CD1 LEU A 996 46.541 -34.923 0.404 1.00 29.14 C ATOM 956 CD2 LEU A 996 46.298 -32.858 -1.048 1.00 44.37 C ATOM 957 H LEU A 996 43.116 -32.438 1.820 1.00 0.00 H ATOM 958 N VAL A 997 41.516 -33.873 -1.628 1.00 30.33 N ATOM 959 CA VAL A 997 40.270 -34.578 -1.807 1.00 31.13 C ATOM 960 C VAL A 997 40.573 -35.979 -2.277 1.00 36.38 C ATOM 961 O VAL A 997 41.045 -36.153 -3.394 1.00 32.87 O ATOM 962 CB VAL A 997 39.338 -33.876 -2.814 1.00 36.33 C ATOM 963 CG1 VAL A 997 38.123 -34.743 -3.106 1.00 31.95 C ATOM 964 CG2 VAL A 997 38.901 -32.507 -2.288 1.00 31.64 C ATOM 965 H VAL A 997 42.145 -33.717 -2.441 1.00 0.00 H ATOM 966 N VAL A 998 40.279 -36.978 -1.439 1.00 32.17 N ATOM 967 CA VAL A 998 40.698 -38.350 -1.708 1.00 32.83 C ATOM 968 C VAL A 998 39.554 -39.380 -1.626 1.00 34.26 C ATOM 969 O VAL A 998 38.477 -39.108 -1.095 1.00 34.01 O ATOM 970 CB VAL A 998 41.837 -38.797 -0.713 1.00 33.15 C ATOM 971 CG1 VAL A 998 43.062 -37.925 -0.860 1.00 32.40 C ATOM 972 CG2 VAL A 998 41.341 -38.767 0.720 1.00 33.69 C ATOM 973 H VAL A 998 39.739 -36.773 -0.574 1.00 0.00 H ATOM 974 N LYS A 999 39.780 -40.565 -2.145 1.00 36.66 N ATOM 975 CA LYS A 999 38.813 -41.625 -1.992 1.00 44.57 C ATOM 976 C LYS A 999 39.144 -42.668 -0.920 1.00 49.02 C ATOM 977 O LYS A 999 40.182 -42.616 -0.305 1.00 44.26 O ATOM 978 CB LYS A 999 38.425 -42.236 -3.329 1.00 42.34 C ATOM 979 CG LYS A 999 39.530 -42.843 -4.142 1.00 45.55 C ATOM 980 CD LYS A 999 39.184 -42.903 -5.640 1.00 56.17 C ATOM 981 CE LYS A 999 37.897 -43.675 -5.961 1.00 67.92 C ATOM 982 NZ LYS A 999 37.984 -45.130 -6.321 1.00 64.59 N ATOM 983 HZ1 LYS A 999 38.571 -45.241 -7.172 1.00 0.00 H ATOM 984 HZ2 LYS A 999 38.412 -45.656 -5.532 1.00 0.00 H ATOM 985 HZ3 LYS A 999 37.029 -45.498 -6.507 1.00 0.00 H ATOM 986 H LYS A 999 40.661 -40.740 -2.669 1.00 0.00 H ATOM 987 N ARG A1000 38.240 -43.599 -0.687 1.00 49.14 N ATOM 988 CA ARG A1000 38.321 -44.492 0.486 1.00 44.23 C ATOM 989 C ARG A1000 39.636 -45.272 0.716 1.00 45.06 C ATOM 990 O ARG A1000 40.090 -45.401 1.842 1.00 49.35 O ATOM 991 CB ARG A1000 37.175 -45.504 0.431 1.00 45.84 C ATOM 992 CG ARG A1000 37.059 -46.374 1.701 1.00 55.13 C ATOM 993 CD ARG A1000 36.901 -45.528 2.979 1.00 49.64 C ATOM 994 NE ARG A1000 36.894 -46.363 4.178 1.00 59.16 N ATOM 995 CZ ARG A1000 37.977 -46.732 4.870 1.00 52.36 C ATOM 996 NH1 ARG A1000 39.198 -46.323 4.502 1.00 45.11 N ATOM 997 NH2 ARG A1000 37.834 -47.512 5.942 1.00 46.85 N ATOM 998 HE ARG A1000 35.971 -46.698 4.521 1.00 0.00 H ATOM 999 HH12 ARG A1000 40.032 -46.617 5.049 1.00 0.00 H ATOM 1000 HH11 ARG A1000 39.312 -45.711 3.669 1.00 0.00 H ATOM 1001 HH22 ARG A1000 38.670 -47.805 6.487 1.00 0.00 H ATOM 1002 HH21 ARG A1000 36.887 -47.828 6.233 1.00 0.00 H ATOM 1003 H ARG A1000 37.446 -43.708 -1.350 1.00 0.00 H ATOM 1004 N ASP A1001 40.218 -45.836 -0.332 1.00 52.27 N ATOM 1005 CA ASP A1001 41.407 -46.676 -0.191 1.00 48.81 C ATOM 1006 C ASP A1001 42.640 -45.863 0.167 1.00 48.24 C ATOM 1007 O ASP A1001 43.720 -46.422 0.388 1.00 51.69 O ATOM 1008 CB ASP A1001 41.636 -47.506 -1.468 1.00 49.20 C ATOM 1009 CG ASP A1001 40.732 -48.742 -1.523 1.00 64.28 C ATOM 1010 OD1 ASP A1001 40.179 -49.145 -0.465 1.00 70.95 O ATOM 1011 OD2 ASP A1001 40.517 -49.288 -2.626 1.00 69.78 O ATOM 1012 H ASP A1001 39.819 -45.677 -1.279 1.00 0.00 H ATOM 1013 N ASP A1002 42.490 -44.541 0.185 1.00 45.28 N ATOM 1014 CA ASP A1002 43.607 -43.637 0.492 1.00 45.89 C ATOM 1015 C ASP A1002 43.503 -43.056 1.914 1.00 42.40 C ATOM 1016 O ASP A1002 44.386 -42.324 2.359 1.00 40.17 O ATOM 1017 CB ASP A1002 43.648 -42.512 -0.547 1.00 44.28 C ATOM 1018 CG ASP A1002 44.096 -43.012 -1.901 1.00 52.88 C ATOM 1019 OD1 ASP A1002 44.052 -44.247 -2.103 1.00 65.78 O ATOM 1020 OD2 ASP A1002 44.468 -42.205 -2.778 1.00 61.43 O ATOM 1021 H ASP A1002 41.555 -44.136 -0.024 1.00 0.00 H ATOM 1022 N VAL A1003 42.407 -43.389 2.598 1.00 39.79 N ATOM 1023 CA VAL A1003 42.140 -42.973 3.969 1.00 39.85 C ATOM 1024 C VAL A1003 42.141 -44.190 4.885 1.00 45.17 C ATOM 1025 O VAL A1003 41.564 -45.232 4.541 1.00 43.88 O ATOM 1026 CB VAL A1003 40.796 -42.235 4.080 1.00 39.70 C ATOM 1027 CG1 VAL A1003 40.346 -42.153 5.501 1.00 52.44 C ATOM 1028 CG2 VAL A1003 40.915 -40.842 3.521 1.00 40.85 C ATOM 1029 H VAL A1003 41.698 -43.983 2.123 1.00 0.00 H ATOM 1030 N TYR A1004 42.769 -44.056 6.054 1.00 45.05 N ATOM 1031 CA TYR A1004 42.931 -45.182 6.978 1.00 41.69 C ATOM 1032 C TYR A1004 42.385 -44.918 8.382 1.00 50.55 C ATOM 1033 O TYR A1004 42.627 -43.866 8.973 1.00 57.44 O ATOM 1034 CB TYR A1004 44.399 -45.554 7.073 1.00 41.27 C ATOM 1035 CG TYR A1004 44.980 -45.994 5.756 1.00 43.23 C ATOM 1036 CD1 TYR A1004 45.628 -45.086 4.937 1.00 51.35 C ATOM 1037 CD2 TYR A1004 44.877 -47.314 5.324 1.00 50.88 C ATOM 1038 CE1 TYR A1004 46.162 -45.476 3.716 1.00 62.43 C ATOM 1039 CE2 TYR A1004 45.411 -47.719 4.103 1.00 56.16 C ATOM 1040 CZ TYR A1004 46.054 -46.793 3.301 1.00 59.84 C ATOM 1041 OH TYR A1004 46.598 -47.164 2.085 1.00 61.06 O ATOM 1042 HH TYR A1004 47.013 -46.374 1.656 1.00 0.00 H ATOM 1043 H TYR A1004 43.154 -43.127 6.317 1.00 0.00 H ATOM 1044 N THR A1005 41.657 -45.891 8.915 1.00 55.51 N ATOM 1045 CA THR A1005 41.029 -45.751 10.228 1.00 56.33 C ATOM 1046 C THR A1005 41.948 -46.093 11.415 1.00 48.18 C ATOM 1047 O THR A1005 42.644 -47.110 11.414 1.00 46.58 O ATOM 1048 CB THR A1005 39.784 -46.625 10.307 1.00 56.84 C ATOM 1049 OG1 THR A1005 40.036 -47.875 9.654 1.00 56.76 O ATOM 1050 CG2 THR A1005 38.648 -45.935 9.609 1.00 61.42 C ATOM 1051 HG1 THR A1005 40.791 -48.333 10.101 1.00 0.00 H ATOM 1052 H THR A1005 41.530 -46.777 8.385 1.00 0.00 H TER 1053 THR A1005 HETATM 1054 O HOH 1 28.560 -40.076 2.416 1.00 53.31 O HETATM 1055 O HOH 2 29.690 -36.009 -9.315 1.00 31.78 O HETATM 1056 O HOH 3 51.045 -32.651 10.909 1.00 60.42 O HETATM 1057 O HOH 4 34.071 -45.410 3.843 1.00 64.40 O HETATM 1058 O HOH 5 30.395 -47.739 4.770 1.00 45.03 O HETATM 1059 O HOH 6 36.100 -44.633 -10.616 1.00 42.02 O HETATM 1060 O HOH 7 26.476 -37.822 -14.586 1.00 42.02 O HETATM 1061 O HOH 8 60.668 -42.058 9.146 1.00 47.21 O HETATM 1062 O HOH 9 48.876 -33.614 9.677 1.00 36.44 O HETATM 1063 O HOH 10 27.571 -41.239 -27.858 1.00 47.09 O HETATM 1064 O HOH 11 29.795 -43.703 1.639 1.00 52.78 O HETATM 1065 O HOH 12 27.823 -47.351 -10.333 1.00 42.02 O HETATM 1066 O HOH 13 49.523 -32.352 1.642 1.00 40.07 O HETATM 1067 O HOH 14 33.608 -33.684 -4.943 1.00 60.64 O HETATM 1068 O HOH 15 57.168 -34.907 9.044 1.00 61.46 O HETATM 1069 O HOH 16 30.465 -33.277 5.107 1.00 38.90 O HETATM 1070 O HOH 17 29.115 -34.360 -21.478 1.00 41.38 O HETATM 1071 O HOH 18 28.724 -37.853 0.260 1.00 31.69 O HETATM 1072 O HOH 19 29.123 -32.391 -24.050 1.00 31.69 O HETATM 1073 O HOH 20 33.454 -43.781 12.393 1.00 54.79 O HETATM 1074 O HOH 21 47.673 -29.744 16.246 1.00 67.99 O HETATM 1075 O HOH 22 35.126 -26.917 5.360 1.00 60.11 O HETATM 1076 O HOH 23 33.813 -53.524 -19.294 1.00 42.74 O HETATM 1077 O HOH 24 39.002 -28.695 -25.050 1.00 50.00 O HETATM 1078 O HOH 25 28.843 -34.862 6.642 1.00 55.53 O HETATM 1079 O HOH 26 41.346 -44.952 -14.962 1.00 34.56 O HETATM 1080 N GLN A 27 42.014 -34.573 -9.892 1.00 0.24 N HETATM 1081 CA GLN A 27 43.019 -34.997 -10.862 1.00 0.07 C HETATM 1082 C GLN A 27 42.407 -35.346 -12.200 1.00 0.23 C HETATM 1083 O GLN A 27 41.243 -35.723 -12.274 1.00 -0.39 O HETATM 1084 N GLN A 27 43.219 -35.275 -13.245 1.00 -0.26 N HETATM 1085 CA GLN A 27 42.798 -35.651 -14.591 1.00 0.13 C HETATM 1086 C GLN A 27 42.544 -37.164 -14.693 1.00 0.20 C HETATM 1087 O GLN A 27 43.083 -37.953 -13.928 1.00 -0.39 O HETATM 1088 N GLN A 27 41.730 -37.556 -15.664 1.00 -0.26 N HETATM 1089 CA GLN A 27 41.489 -38.967 -15.948 1.00 0.13 C HETATM 1090 C GLN A 27 42.769 -39.650 -16.427 1.00 0.20 C HETATM 1091 O GLN A 27 43.633 -39.019 -17.054 1.00 -0.39 O HETATM 1092 N GLN A 27 42.896 -40.935 -16.096 1.00 -0.26 N HETATM 1093 CA GLN A 27 44.048 -41.736 -16.504 1.00 0.16 C HETATM 1094 C GLN A 27 43.564 -43.032 -17.178 1.00 0.21 C HETATM 1095 O GLN A 27 42.423 -43.441 -16.972 1.00 -0.39 O HETATM 1096 N GLN A 27 44.420 -43.660 -17.987 1.00 -0.26 N HETATM 1097 CA GLN A 27 44.102 -44.947 -18.537 1.00 0.13 C HETATM 1098 CB GLN A 27 43.713 -45.037 -20.021 1.00 -0.01 C HETATM 1099 CG GLN A 27 44.632 -44.313 -20.964 1.00 -0.04 C HETATM 1100 CD GLN A 27 43.823 -44.216 -22.241 1.00 -0.01 C HETATM 1101 CE GLN A 27 44.757 -43.861 -23.390 1.00 -0.03 C HETATM 1102 NZ GLN A 27 44.092 -43.427 -24.673 1.00 0.24 N HETATM 1103 CM1 GLN A 27 43.514 -44.578 -25.427 1.00 -0.04 C HETATM 1104 H44 GLN A 27 43.042 -44.212 -26.351 1.00 0.08 H HETATM 1105 H45 GLN A 27 42.760 -45.082 -24.805 1.00 0.08 H HETATM 1106 H46 GLN A 27 44.314 -45.289 -25.681 1.00 0.08 H HETATM 1107 CM2 GLN A 27 45.093 -42.727 -25.523 1.00 -0.04 C HETATM 1108 H47 GLN A 27 45.518 -41.879 -24.966 1.00 0.08 H HETATM 1109 H48 GLN A 27 44.604 -42.358 -26.436 1.00 0.08 H HETATM 1110 H49 GLN A 27 45.897 -43.427 -25.795 1.00 0.08 H HETATM 1111 CM3 GLN A 27 42.974 -42.477 -24.371 1.00 -0.04 C HETATM 1112 H50 GLN A 27 42.225 -42.980 -23.742 1.00 0.08 H HETATM 1113 H51 GLN A 27 42.505 -42.152 -25.311 1.00 0.08 H HETATM 1114 H52 GLN A 27 43.371 -41.601 -23.837 1.00 0.08 H HETATM 1115 H42 GLN A 27 45.370 -44.747 -23.612 1.00 0.08 H HETATM 1116 H43 GLN A 27 45.407 -43.040 -23.054 1.00 0.08 H HETATM 1117 H40 GLN A 27 43.056 -43.435 -22.134 1.00 0.03 H HETATM 1118 H41 GLN A 27 43.337 -45.182 -22.445 1.00 0.03 H HETATM 1119 H38 GLN A 27 45.558 -44.885 -21.127 1.00 0.03 H HETATM 1120 H39 GLN A 27 44.882 -43.313 -20.580 1.00 0.03 H HETATM 1121 H36 GLN A 27 42.704 -44.614 -20.136 1.00 0.03 H HETATM 1122 H37 GLN A 27 43.699 -46.099 -20.306 1.00 0.03 H HETATM 1123 C GLN A 27 45.154 -46.006 -18.317 1.00 0.20 C HETATM 1124 O GLN A 27 46.299 -45.787 -17.961 1.00 -0.39 O HETATM 1125 N GLN A 27 44.707 -47.232 -18.555 1.00 -0.26 N HETATM 1126 CA GLN A 27 45.477 -48.427 -18.251 1.00 0.13 C HETATM 1127 C GLN A 27 44.893 -49.589 -19.036 1.00 0.20 C HETATM 1128 O GLN A 27 43.754 -49.511 -19.517 1.00 -0.39 O HETATM 1129 N GLN A 27 45.686 -50.644 -19.204 1.00 -0.26 N HETATM 1130 CA GLN A 27 45.207 -51.863 -19.824 1.00 0.13 C HETATM 1131 C GLN A 27 44.361 -52.656 -18.821 1.00 0.20 C HETATM 1132 O GLN A 27 44.593 -52.590 -17.607 1.00 -0.39 O HETATM 1133 N GLN A 27 43.363 -53.378 -19.328 1.00 -0.26 N HETATM 1134 CA GLN A 27 42.503 -54.229 -18.494 1.00 0.13 C HETATM 1135 C GLN A 27 42.970 -55.696 -18.574 1.00 0.20 C HETATM 1136 O GLN A 27 44.045 -55.977 -19.125 1.00 -0.39 O HETATM 1137 N GLN A 27 42.162 -56.609 -18.022 1.00 -0.27 N HETATM 1138 CA GLN A 27 42.458 -58.050 -17.921 1.00 0.09 C HETATM 1139 C GLN A 27 43.745 -58.327 -17.141 1.00 0.06 C HETATM 1140 O GLN A 27 43.855 -59.339 -16.434 1.00 -0.57 O HETATM 1141 OXT GLN A 27 44.705 -57.545 -17.200 1.00 -0.57 O HETATM 1142 CB GLN A 27 42.542 -58.696 -19.314 1.00 -0.02 C HETATM 1143 CG GLN A 27 43.030 -60.153 -19.314 1.00 -0.04 C HETATM 1144 CD GLN A 27 43.663 -60.538 -20.640 1.00 -0.01 C HETATM 1145 CE GLN A 27 44.840 -59.639 -20.983 1.00 -0.04 C HETATM 1146 NZ GLN A 27 45.969 -59.795 -20.024 1.00 0.22 N HETATM 1147 H86 GLN A 27 46.723 -59.182 -20.291 1.00 0.20 H HETATM 1148 H87 GLN A 27 46.291 -60.750 -20.037 1.00 0.20 H HETATM 1149 H88 GLN A 27 45.656 -59.559 -19.095 1.00 0.20 H HETATM 1150 H84 GLN A 27 44.503 -58.592 -20.965 1.00 0.08 H HETATM 1151 H85 GLN A 27 45.196 -59.892 -21.993 1.00 0.08 H HETATM 1152 H82 GLN A 27 42.907 -60.453 -21.434 1.00 0.03 H HETATM 1153 H83 GLN A 27 44.015 -61.578 -20.578 1.00 0.03 H HETATM 1154 H80 GLN A 27 42.173 -60.815 -19.124 1.00 0.03 H HETATM 1155 H81 GLN A 27 43.775 -60.279 -18.515 1.00 0.03 H HETATM 1156 H78 GLN A 27 43.236 -58.102 -19.927 1.00 0.03 H HETATM 1157 H79 GLN A 27 41.539 -58.670 -19.766 1.00 0.03 H HETATM 1158 H77 GLN A 27 41.627 -58.522 -17.376 1.00 0.07 H HETATM 1159 H76 GLN A 27 41.291 -56.289 -17.649 1.00 0.19 H HETATM 1160 CB GLN A 27 41.018 -54.083 -18.899 1.00 -0.01 C HETATM 1161 CG GLN A 27 40.774 -53.922 -20.401 1.00 -0.02 C HETATM 1162 CD GLN A 27 39.449 -53.219 -20.735 1.00 0.06 C HETATM 1163 NE GLN A 27 39.282 -53.121 -22.186 1.00 -0.27 N HETATM 1164 CZ GLN A 27 38.391 -53.818 -22.892 1.00 0.29 C HETATM 1165 NH1 GLN A 27 37.540 -54.639 -22.279 1.00 -0.28 N HETATM 1166 H72 GLN A 27 36.854 -55.175 -22.830 1.00 0.26 H HETATM 1167 H73 GLN A 27 37.568 -54.738 -21.254 1.00 0.26 H HETATM 1168 NH2 GLN A 27 38.330 -53.678 -24.215 1.00 -0.28 N HETATM 1169 H74 GLN A 27 38.984 -53.045 -24.697 1.00 0.26 H HETATM 1170 H75 GLN A 27 37.628 -54.203 -24.757 1.00 0.26 H HETATM 1171 H71 GLN A 27 39.895 -52.469 -22.697 1.00 0.26 H HETATM 1172 H69 GLN A 27 39.454 -52.209 -20.300 1.00 0.07 H HETATM 1173 H70 GLN A 27 38.614 -53.796 -20.311 1.00 0.07 H HETATM 1174 H67 GLN A 27 40.764 -54.921 -20.861 1.00 0.03 H HETATM 1175 H68 GLN A 27 41.599 -53.331 -20.826 1.00 0.03 H HETATM 1176 H65 GLN A 27 40.610 -53.198 -18.390 1.00 0.03 H HETATM 1177 H66 GLN A 27 40.481 -54.981 -18.560 1.00 0.03 H HETATM 1178 H64 GLN A 27 42.602 -53.897 -17.450 1.00 0.08 H HETATM 1179 H63 GLN A 27 43.193 -53.340 -20.313 1.00 0.19 H HETATM 1180 CB GLN A 27 46.375 -52.701 -20.341 1.00 -0.02 C HETATM 1181 H60 GLN A 27 45.989 -53.620 -20.807 1.00 0.03 H HETATM 1182 H61 GLN A 27 47.036 -52.965 -19.503 1.00 0.03 H HETATM 1183 H62 GLN A 27 46.940 -52.122 -21.086 1.00 0.03 H HETATM 1184 H59 GLN A 27 44.571 -51.593 -20.680 1.00 0.08 H HETATM 1185 H58 GLN A 27 46.636 -50.594 -18.895 1.00 0.19 H HETATM 1186 CB GLN A 27 45.457 -48.724 -16.748 1.00 -0.02 C HETATM 1187 H55 GLN A 27 46.046 -49.631 -16.546 1.00 0.03 H HETATM 1188 H56 GLN A 27 44.419 -48.880 -16.419 1.00 0.03 H HETATM 1189 H57 GLN A 27 45.892 -47.875 -16.201 1.00 0.03 H HETATM 1190 H54 GLN A 27 46.520 -48.270 -18.563 1.00 0.08 H HETATM 1191 H53 GLN A 27 43.800 -47.339 -18.962 1.00 0.19 H HETATM 1192 H35 GLN A 27 43.212 -45.267 -17.975 1.00 0.08 H HETATM 1193 H34 GLN A 27 45.294 -43.229 -18.213 1.00 0.19 H HETATM 1194 CB GLN A 27 44.953 -42.067 -15.291 1.00 0.09 C HETATM 1195 OG1 GLN A 27 44.130 -42.610 -14.252 1.00 -0.39 O HETATM 1196 H30 GLN A 27 44.670 -42.819 -13.499 1.00 0.21 H HETATM 1197 CG2 GLN A 27 45.654 -40.806 -14.749 1.00 -0.03 C HETATM 1198 H31 GLN A 27 46.286 -41.078 -13.891 1.00 0.03 H HETATM 1199 H32 GLN A 27 44.897 -40.075 -14.429 1.00 0.03 H HETATM 1200 H33 GLN A 27 46.279 -40.365 -15.540 1.00 0.03 H HETATM 1201 H29 GLN A 27 45.712 -42.804 -15.593 1.00 0.06 H HETATM 1202 H28 GLN A 27 44.637 -41.158 -17.231 1.00 0.08 H HETATM 1203 H27 GLN A 27 42.178 -41.366 -15.549 1.00 0.19 H HETATM 1204 CB GLN A 27 40.374 -39.129 -16.983 1.00 -0.02 C HETATM 1205 H24 GLN A 27 40.210 -40.199 -17.181 1.00 0.03 H HETATM 1206 H25 GLN A 27 40.664 -38.624 -17.916 1.00 0.03 H HETATM 1207 H26 GLN A 27 39.447 -38.681 -16.596 1.00 0.03 H HETATM 1208 H23 GLN A 27 41.167 -39.455 -15.016 1.00 0.08 H HETATM 1209 H22 GLN A 27 41.267 -36.864 -16.218 1.00 0.19 H HETATM 1210 CB GLN A 27 43.862 -35.235 -15.635 1.00 -0.01 C HETATM 1211 CG GLN A 27 44.378 -33.791 -15.762 1.00 -0.04 C HETATM 1212 CD1 GLN A 27 45.811 -33.844 -16.257 1.00 -0.06 C HETATM 1213 H16 GLN A 27 46.203 -32.821 -16.356 1.00 0.02 H HETATM 1214 H17 GLN A 27 45.843 -34.345 -17.236 1.00 0.02 H HETATM 1215 H18 GLN A 27 46.427 -34.404 -15.538 1.00 0.02 H HETATM 1216 CD2 GLN A 27 43.537 -32.945 -16.706 1.00 -0.06 C HETATM 1217 H19 GLN A 27 42.500 -32.910 -16.342 1.00 0.02 H HETATM 1218 H20 GLN A 27 43.558 -33.388 -17.712 1.00 0.02 H HETATM 1219 H21 GLN A 27 43.946 -31.924 -16.746 1.00 0.02 H HETATM 1220 H15 GLN A 27 44.356 -33.322 -14.767 1.00 0.03 H HETATM 1221 H13 GLN A 27 43.444 -35.497 -16.618 1.00 0.03 H HETATM 1222 H14 GLN A 27 44.746 -35.858 -15.435 1.00 0.03 H HETATM 1223 H12 GLN A 27 41.860 -35.124 -14.818 1.00 0.08 H HETATM 1224 H11 GLN A 27 44.155 -34.952 -13.106 1.00 0.19 H HETATM 1225 CB GLN A 27 43.775 -36.213 -10.332 1.00 0.02 C HETATM 1226 CG GLN A 27 44.702 -35.908 -9.177 1.00 0.04 C HETATM 1227 CD GLN A 27 44.078 -36.293 -7.849 1.00 0.17 C HETATM 1228 OE1 GLN A 27 42.850 -36.275 -7.708 1.00 -0.40 O HETATM 1229 NE2 GLN A 27 44.913 -36.670 -6.875 1.00 -0.30 N HETATM 1230 H9 GLN A 27 44.551 -36.934 -5.981 1.00 0.18 H HETATM 1231 H10 GLN A 27 45.899 -36.688 -7.041 1.00 0.18 H HETATM 1232 H7 GLN A 27 44.922 -34.830 -9.170 1.00 0.05 H HETATM 1233 H8 GLN A 27 45.637 -36.472 -9.310 1.00 0.05 H HETATM 1234 H5 GLN A 27 44.374 -36.633 -11.154 1.00 0.04 H HETATM 1235 H6 GLN A 27 43.039 -36.958 -9.997 1.00 0.04 H HETATM 1236 H4 GLN A 27 43.730 -34.170 -11.008 1.00 0.11 H HETATM 1237 H1 GLN A 27 42.464 -34.351 -9.018 1.00 0.20 H HETATM 1238 H2 GLN A 27 41.350 -35.318 -9.749 1.00 0.20 H HETATM 1239 H3 GLN A 27 41.534 -33.758 -10.240 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1080 1081 1237 1238 1239 CONECT 1081 1080 1082 1225 1236 CONECT 1082 1081 1083 1084 CONECT 1083 1082 CONECT 1084 1082 1085 1224 CONECT 1085 1084 1086 1210 1223 CONECT 1086 1085 1087 1088 CONECT 1087 1086 CONECT 1088 1086 1089 1209 CONECT 1089 1088 1090 1204 1208 CONECT 1090 1089 1091 1092 CONECT 1091 1090 CONECT 1092 1090 1093 1203 CONECT 1093 1092 1094 1194 1202 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1193 CONECT 1097 1096 1098 1123 1192 CONECT 1098 1097 1099 1121 1122 CONECT 1099 1098 1100 1119 1120 CONECT 1100 1099 1101 1117 1118 CONECT 1101 1100 1102 1115 1116 CONECT 1102 1101 1103 1107 1111 CONECT 1103 1102 1104 1105 1106 CONECT 1104 1103 CONECT 1105 1103 CONECT 1106 1103 CONECT 1107 1102 1108 1109 1110 CONECT 1108 1107 CONECT 1109 1107 CONECT 1110 1107 CONECT 1111 1102 1112 1113 1114 CONECT 1112 1111 CONECT 1113 1111 CONECT 1114 1111 CONECT 1115 1101 CONECT 1116 1101 CONECT 1117 1100 CONECT 1118 1100 CONECT 1119 1099 CONECT 1120 1099 CONECT 1121 1098 CONECT 1122 1098 CONECT 1123 1097 1124 1125 CONECT 1124 1123 CONECT 1125 1123 1126 1191 CONECT 1126 1125 1127 1186 1190 CONECT 1127 1126 1128 1129 CONECT 1128 1127 CONECT 1129 1127 1130 1185 CONECT 1130 1129 1131 1180 1184 CONECT 1131 1130 1132 1133 CONECT 1132 1131 CONECT 1133 1131 1134 1179 CONECT 1134 1133 1135 1160 1178 CONECT 1135 1134 1136 1137 CONECT 1136 1135 CONECT 1137 1135 1138 1159 CONECT 1138 1137 1139 1142 1158 CONECT 1139 1138 1140 1141 CONECT 1140 1139 CONECT 1141 1139 CONECT 1142 1138 1143 1156 1157 CONECT 1143 1142 1144 1154 1155 CONECT 1144 1143 1145 1152 1153 CONECT 1145 1144 1146 1150 1151 CONECT 1146 1145 1147 1148 1149 CONECT 1147 1146 CONECT 1148 1146 CONECT 1149 1146 CONECT 1150 1145 CONECT 1151 1145 CONECT 1152 1144 CONECT 1153 1144 CONECT 1154 1143 CONECT 1155 1143 CONECT 1156 1142 CONECT 1157 1142 CONECT 1158 1138 CONECT 1159 1137 CONECT 1160 1134 1161 1176 1177 CONECT 1161 1160 1162 1174 1175 CONECT 1162 1161 1163 1172 1173 CONECT 1163 1162 1164 1171 CONECT 1164 1163 1165 1168 CONECT 1165 1164 1166 1167 CONECT 1166 1165 CONECT 1167 1165 CONECT 1168 1164 1169 1170 CONECT 1169 1168 CONECT 1170 1168 CONECT 1171 1163 CONECT 1172 1162 CONECT 1173 1162 CONECT 1174 1161 CONECT 1175 1161 CONECT 1176 1160 CONECT 1177 1160 CONECT 1178 1134 CONECT 1179 1133 CONECT 1180 1130 1181 1182 1183 CONECT 1181 1180 CONECT 1182 1180 CONECT 1183 1180 CONECT 1184 1130 CONECT 1185 1129 CONECT 1186 1126 1187 1188 1189 CONECT 1187 1186 CONECT 1188 1186 CONECT 1189 1186 CONECT 1190 1126 CONECT 1191 1125 CONECT 1192 1097 CONECT 1193 1096 CONECT 1194 1093 1195 1197 1201 CONECT 1195 1194 1196 CONECT 1196 1195 CONECT 1197 1194 1198 1199 1200 CONECT 1198 1197 CONECT 1199 1197 CONECT 1200 1197 CONECT 1201 1194 CONECT 1202 1093 CONECT 1203 1092 CONECT 1204 1089 1205 1206 1207 CONECT 1205 1204 CONECT 1206 1204 CONECT 1207 1204 CONECT 1208 1089 CONECT 1209 1088 CONECT 1210 1085 1211 1221 1222 CONECT 1211 1210 1212 1216 1220 CONECT 1212 1211 1213 1214 1215 CONECT 1213 1212 CONECT 1214 1212 CONECT 1215 1212 CONECT 1216 1211 1217 1218 1219 CONECT 1217 1216 CONECT 1218 1216 CONECT 1219 1216 CONECT 1220 1211 CONECT 1221 1210 CONECT 1222 1210 CONECT 1223 1085 CONECT 1224 1084 CONECT 1225 1081 1226 1234 1235 CONECT 1226 1225 1227 1232 1233 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1231 CONECT 1230 1229 CONECT 1231 1229 CONECT 1232 1226 CONECT 1233 1226 CONECT 1234 1225 CONECT 1235 1225 CONECT 1236 1081 CONECT 1237 1080 CONECT 1238 1080 CONECT 1239 1080 MASTER 0 0 0 0 0 0 0 0 1238 1 164 9 END
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Related entries of code: 5d6y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2gfa
RCSB PDB
PDBbind
119aa, >2GFA_1|Chains... at 98%
2qqs
RCSB PDB
PDBbind
118aa, >2QQS_1|Chains... at 97%
5var
RCSB PDB
PDBbind
119aa, >5VAR_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
5d6y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
double tudor domain of human lysine demethylase KDM4A
Ligand Name
10-mer
EC.Number
E.C.1.14.11
Resolution
2.29(Å)
Affinity (Kd/Ki/IC50)
Kd=2.2uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat Commun Vol. 7: pp. 13387-13387
Ligand Properties
Formula
C
4
5
H
8
9
N
1
5
O
1
2
Molecular Weight
1032.280
Exact Mass
1031.680
No. of atoms
161
No. of bonds
160
Polar Surface Area
454.71
LOGP Value
-3.17 (
Computed with XLOGP3
)
-3.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 44
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)[NH3+])CC(C)C)C)CCCC[N+](C)(C)C)C)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C45H85N15O12/c1-24(2)23-33(58-39(66)29(47)18-19-34(48)62)42(69)54-27(5)38(65)59-35(28(6)61)43(70)56-30(15-11-13-22-60(7,8)9)40(67)53-25(3)36(63)52-26(4)37(64)55-31(17-14-21-51-45(49)50)41(68)57-32(44(71)72)16-10-12-20-46/h24-33,35,61H,10-23,46-47H2,1-9H3,(H14-,48,49,50,51,52,53,54,55,56,57,58,59,62,63,64,65,66,67,68,69,70,71,72)/p+4/t25-,26-,27-,28+,29-,30-,31-,32-,33-,35-/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):
O75164
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
9682
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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