Browse entries in the PDBbind-CN Database
HEADER 6MTU_COMPLEX COMPND 6MTU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 102 LEU LEU ILE GLU PRO ALA ARG ILE GLU GLU GLU GLU LEU SEQRES 2 A 102 THR LEU THR ILE LEU ARG GLN THR GLY GLY LEU GLY ILE SEQRES 3 A 102 SER ILE ALA GLY GLY LYS GLY SER THR PRO TYR LYS GLY SEQRES 4 A 102 ASP ASP GLU GLY ILE PHE ILE SER ARG VAL SER GLU GLU SEQRES 5 A 102 GLY PRO ALA ALA ARG ALA GLY VAL ARG VAL GLY ASP LYS SEQRES 6 A 102 LEU LEU GLU VAL ASN GLY VAL ALA LEU GLN GLY ALA GLU SEQRES 7 A 102 HIS HIS GLU ALA VAL GLU ALA LEU ARG GLY ALA GLY THR SEQRES 8 A 102 ALA VAL GLN MET ARG VAL TRP ARG GLU ARG MET HET PRO A 132 124 ATOM 1 N LEU A 715 33.300 -38.778 -19.823 1.00 29.67 N ATOM 2 CA LEU A 715 33.316 -40.130 -19.272 1.00 51.14 C ATOM 3 C LEU A 715 31.951 -40.489 -18.676 1.00 48.13 C ATOM 4 O LEU A 715 31.051 -40.908 -19.403 1.00 58.87 O ATOM 5 CB LEU A 715 34.419 -40.262 -18.221 1.00 33.04 C ATOM 6 HN3 LEU A 715 33.074 -38.100 -19.068 1.00 0.00 H ATOM 7 HN2 LEU A 715 32.580 -38.718 -20.571 1.00 0.00 H ATOM 8 HN1 LEU A 715 34.235 -38.556 -20.221 1.00 0.00 H ATOM 9 N LEU A 716 31.796 -40.329 -17.364 1.00 53.11 N ATOM 10 CA LEU A 716 30.534 -40.602 -16.688 1.00 45.12 C ATOM 11 C LEU A 716 29.877 -39.298 -16.250 1.00 34.28 C ATOM 12 O LEU A 716 30.516 -38.244 -16.187 1.00 41.08 O ATOM 13 CB LEU A 716 30.740 -41.524 -15.479 1.00 49.12 C ATOM 14 CG LEU A 716 31.457 -40.983 -14.241 1.00 53.56 C ATOM 15 CD1 LEU A 716 30.547 -40.092 -13.400 1.00 41.89 C ATOM 16 CD2 LEU A 716 31.993 -42.147 -13.412 1.00 44.42 C ATOM 17 H LEU A 716 32.605 -39.997 -16.801 1.00 0.00 H ATOM 18 N ILE A 717 28.589 -39.387 -15.924 1.00 39.01 N ATOM 19 CA ILE A 717 27.751 -38.213 -15.707 1.00 41.71 C ATOM 20 C ILE A 717 27.445 -38.062 -14.225 1.00 50.53 C ATOM 21 O ILE A 717 27.378 -39.043 -13.476 1.00 53.75 O ATOM 22 CB ILE A 717 26.442 -38.312 -16.520 1.00 40.00 C ATOM 23 CG1 ILE A 717 25.875 -36.922 -16.805 1.00 47.03 C ATOM 24 CG2 ILE A 717 25.407 -39.140 -15.765 1.00 52.64 C ATOM 25 CD1 ILE A 717 24.505 -36.943 -17.459 1.00 49.77 C ATOM 26 H ILE A 717 28.164 -40.330 -15.820 1.00 0.00 H ATOM 27 N GLU A 718 27.252 -36.814 -13.804 1.00 49.87 N ATOM 28 CA GLU A 718 26.790 -36.548 -12.450 1.00 55.66 C ATOM 29 C GLU A 718 25.349 -37.035 -12.301 1.00 50.34 C ATOM 30 O GLU A 718 24.560 -36.933 -13.245 1.00 51.70 O ATOM 31 CB GLU A 718 26.877 -35.053 -12.138 1.00 57.74 C ATOM 32 CG GLU A 718 27.951 -34.669 -11.120 1.00 67.65 C ATOM 33 CD GLU A 718 29.317 -35.246 -11.448 1.00 66.24 C ATOM 34 OE1 GLU A 718 30.007 -35.709 -10.515 1.00 43.55 O ATOM 35 OE2 GLU A 718 29.697 -35.245 -12.638 1.00 65.32 O ATOM 36 H GLU A 718 27.434 -36.020 -14.450 1.00 0.00 H ATOM 37 N PRO A 719 24.978 -37.578 -11.146 1.00 55.29 N ATOM 38 CA PRO A 719 23.599 -38.038 -10.962 1.00 50.49 C ATOM 39 C PRO A 719 22.661 -36.887 -10.633 1.00 51.87 C ATOM 40 O PRO A 719 23.077 -35.790 -10.260 1.00 60.77 O ATOM 41 CB PRO A 719 23.709 -39.011 -9.783 1.00 46.09 C ATOM 42 CG PRO A 719 24.832 -38.451 -8.969 1.00 45.73 C ATOM 43 CD PRO A 719 25.809 -37.838 -9.954 1.00 55.57 C ATOM 44 N ALA A 720 21.368 -37.157 -10.790 1.00 51.29 N ATOM 45 CA ALA A 720 20.364 -36.197 -10.360 1.00 39.20 C ATOM 46 C ALA A 720 20.545 -35.917 -8.875 1.00 33.09 C ATOM 47 O ALA A 720 20.669 -36.842 -8.067 1.00 41.90 O ATOM 48 CB ALA A 720 18.960 -36.727 -10.639 1.00 37.86 C ATOM 49 H ALA A 720 21.074 -38.057 -11.221 1.00 0.00 H ATOM 50 N ARG A 721 20.585 -34.638 -8.518 1.00 35.64 N ATOM 51 CA ARG A 721 20.814 -34.226 -7.143 1.00 31.03 C ATOM 52 C ARG A 721 19.735 -33.245 -6.717 1.00 27.28 C ATOM 53 O ARG A 721 19.366 -32.347 -7.478 1.00 33.27 O ATOM 54 CB ARG A 721 22.192 -33.572 -6.973 1.00 50.45 C ATOM 55 CG ARG A 721 23.365 -34.459 -7.357 1.00 52.27 C ATOM 56 CD ARG A 721 24.695 -33.826 -6.966 1.00 67.11 C ATOM 57 NE ARG A 721 24.798 -32.431 -7.390 1.00 62.92 N ATOM 58 CZ ARG A 721 25.913 -31.709 -7.326 1.00 76.53 C ATOM 59 NH1 ARG A 721 25.913 -30.447 -7.732 1.00 61.78 N ATOM 60 NH2 ARG A 721 27.032 -32.249 -6.861 1.00 68.53 N ATOM 61 HE ARG A 721 23.943 -31.973 -7.766 1.00 0.00 H ATOM 62 HH12 ARG A 721 26.786 -29.884 -7.681 1.00 0.00 H ATOM 63 HH11 ARG A 721 25.040 -30.020 -8.102 1.00 0.00 H ATOM 64 HH22 ARG A 721 27.902 -31.681 -6.812 1.00 0.00 H ATOM 65 HH21 ARG A 721 27.039 -33.240 -6.545 1.00 0.00 H ATOM 66 H ARG A 721 20.448 -33.908 -9.246 1.00 0.00 H ATOM 67 N ILE A 722 19.236 -33.423 -5.498 1.00 22.71 N ATOM 68 CA ILE A 722 18.323 -32.470 -4.876 1.00 38.88 C ATOM 69 C ILE A 722 19.177 -31.437 -4.151 1.00 48.38 C ATOM 70 O ILE A 722 19.810 -31.750 -3.143 1.00 40.48 O ATOM 71 CB ILE A 722 17.356 -33.164 -3.910 1.00 41.20 C ATOM 72 CG1 ILE A 722 16.561 -34.244 -4.647 1.00 37.66 C ATOM 73 CG2 ILE A 722 16.424 -32.144 -3.261 1.00 30.23 C ATOM 74 CD1 ILE A 722 15.594 -34.995 -3.771 1.00 13.69 C ATOM 75 H ILE A 722 19.507 -34.275 -4.967 1.00 0.00 H ATOM 76 N GLU A 723 19.193 -30.202 -4.652 1.00 48.40 N ATOM 77 CA GLU A 723 20.037 -29.177 -4.045 1.00 48.89 C ATOM 78 C GLU A 723 19.504 -28.764 -2.676 1.00 39.97 C ATOM 79 O GLU A 723 20.206 -28.869 -1.664 1.00 48.87 O ATOM 80 CB GLU A 723 20.143 -27.965 -4.973 1.00 41.13 C ATOM 81 CG GLU A 723 20.907 -28.226 -6.265 1.00 61.25 C ATOM 82 CD GLU A 723 22.318 -28.734 -6.025 1.00 39.71 C ATOM 83 OE1 GLU A 723 22.531 -29.962 -6.104 1.00 45.12 O ATOM 84 OE2 GLU A 723 23.213 -27.907 -5.751 1.00 46.25 O ATOM 85 H GLU A 723 18.604 -29.968 -5.476 1.00 0.00 H ATOM 86 N GLU A 724 18.263 -28.284 -2.627 1.00 42.22 N ATOM 87 CA GLU A 724 17.646 -27.835 -1.386 1.00 39.13 C ATOM 88 C GLU A 724 16.230 -28.387 -1.321 1.00 42.64 C ATOM 89 O GLU A 724 15.713 -28.947 -2.292 1.00 42.08 O ATOM 90 CB GLU A 724 17.657 -26.304 -1.274 1.00 33.01 C ATOM 91 CG GLU A 724 17.456 -25.574 -2.591 1.00 43.56 C ATOM 92 CD GLU A 724 17.824 -24.103 -2.504 1.00 41.73 C ATOM 93 OE1 GLU A 724 16.917 -23.250 -2.598 1.00 52.60 O ATOM 94 OE2 GLU A 724 19.024 -23.802 -2.335 1.00 49.55 O ATOM 95 H GLU A 724 17.713 -28.227 -3.508 1.00 0.00 H ATOM 96 N GLU A 725 15.598 -28.225 -0.161 1.00 43.78 N ATOM 97 CA GLU A 725 14.349 -28.921 0.110 1.00 36.01 C ATOM 98 C GLU A 725 13.592 -28.199 1.214 1.00 43.20 C ATOM 99 O GLU A 725 14.193 -27.639 2.133 1.00 37.24 O ATOM 100 CB GLU A 725 14.627 -30.379 0.504 1.00 32.59 C ATOM 101 CG GLU A 725 13.406 -31.276 0.586 1.00 42.72 C ATOM 102 CD GLU A 725 13.777 -32.748 0.657 1.00 40.83 C ATOM 103 OE1 GLU A 725 14.404 -33.254 -0.298 1.00 43.07 O ATOM 104 OE2 GLU A 725 13.452 -33.400 1.671 1.00 36.22 O ATOM 105 H GLU A 725 16.001 -27.594 0.560 1.00 0.00 H ATOM 106 N GLU A 726 12.264 -28.210 1.098 1.00 45.80 N ATOM 107 CA GLU A 726 11.368 -27.715 2.134 1.00 33.32 C ATOM 108 C GLU A 726 10.388 -28.815 2.517 1.00 34.33 C ATOM 109 O GLU A 726 9.857 -29.516 1.648 1.00 29.11 O ATOM 110 CB GLU A 726 10.596 -26.479 1.677 1.00 21.41 C ATOM 111 CG GLU A 726 11.395 -25.197 1.754 1.00 36.49 C ATOM 112 CD GLU A 726 10.518 -23.964 1.688 1.00 55.42 C ATOM 113 OE1 GLU A 726 9.278 -24.115 1.657 1.00 48.58 O ATOM 114 OE2 GLU A 726 11.069 -22.843 1.670 1.00 58.14 O ATOM 115 H GLU A 726 11.847 -28.591 0.225 1.00 0.00 H ATOM 116 N LEU A 727 10.143 -28.956 3.818 1.00 41.06 N ATOM 117 CA LEU A 727 9.357 -30.065 4.329 1.00 39.11 C ATOM 118 C LEU A 727 8.372 -29.576 5.380 1.00 35.51 C ATOM 119 O LEU A 727 8.376 -28.410 5.783 1.00 27.92 O ATOM 120 CB LEU A 727 10.248 -31.152 4.946 1.00 26.59 C ATOM 121 CG LEU A 727 11.183 -31.930 4.024 1.00 31.36 C ATOM 122 CD1 LEU A 727 12.616 -31.443 4.169 1.00 37.86 C ATOM 123 CD2 LEU A 727 11.078 -33.418 4.324 1.00 36.16 C ATOM 124 H LEU A 727 10.524 -28.255 4.485 1.00 0.00 H ATOM 125 N THR A 728 7.517 -30.497 5.816 1.00 46.04 N ATOM 126 CA THR A 728 6.695 -30.315 7.005 1.00 49.02 C ATOM 127 C THR A 728 6.720 -31.627 7.772 1.00 47.11 C ATOM 128 O THR A 728 6.447 -32.688 7.201 1.00 38.31 O ATOM 129 CB THR A 728 5.258 -29.918 6.657 1.00 40.52 C ATOM 130 OG1 THR A 728 5.269 -28.695 5.910 1.00 48.06 O ATOM 131 CG2 THR A 728 4.442 -29.721 7.927 1.00 33.50 C ATOM 132 HG1 THR A 728 4.340 -28.439 5.685 1.00 0.00 H ATOM 133 H THR A 728 7.431 -31.387 5.284 1.00 0.00 H ATOM 134 N LEU A 729 7.063 -31.553 9.056 1.00 39.75 N ATOM 135 CA LEU A 729 7.254 -32.731 9.896 1.00 44.74 C ATOM 136 C LEU A 729 6.382 -32.570 11.133 1.00 50.82 C ATOM 137 O LEU A 729 6.644 -31.702 11.971 1.00 60.16 O ATOM 138 CB LEU A 729 8.726 -32.898 10.278 1.00 46.13 C ATOM 139 CG LEU A 729 9.706 -32.833 9.105 1.00 45.27 C ATOM 140 CD1 LEU A 729 11.120 -32.557 9.587 1.00 40.88 C ATOM 141 CD2 LEU A 729 9.667 -34.122 8.300 1.00 50.33 C ATOM 142 H LEU A 729 7.201 -30.613 9.480 1.00 0.00 H ATOM 143 N THR A 730 5.346 -33.398 11.243 1.00 51.19 N ATOM 144 CA THR A 730 4.431 -33.338 12.378 1.00 55.02 C ATOM 145 C THR A 730 5.078 -34.045 13.564 1.00 48.72 C ATOM 146 O THR A 730 5.199 -35.274 13.574 1.00 43.18 O ATOM 147 CB THR A 730 3.092 -33.975 12.020 1.00 58.40 C ATOM 148 OG1 THR A 730 2.640 -33.468 10.758 1.00 50.85 O ATOM 149 CG2 THR A 730 2.047 -33.664 13.086 1.00 43.59 C ATOM 150 HG1 THR A 730 1.771 -33.883 10.529 1.00 0.00 H ATOM 151 H THR A 730 5.184 -34.107 10.500 1.00 0.00 H ATOM 152 N ILE A 731 5.501 -33.270 14.559 1.00 49.27 N ATOM 153 CA ILE A 731 6.118 -33.812 15.764 1.00 51.70 C ATOM 154 C ILE A 731 5.036 -34.023 16.813 1.00 47.59 C ATOM 155 O ILE A 731 4.242 -33.116 17.092 1.00 45.15 O ATOM 156 CB ILE A 731 7.218 -32.874 16.289 1.00 40.69 C ATOM 157 CG1 ILE A 731 8.321 -32.712 15.241 1.00 47.04 C ATOM 158 CG2 ILE A 731 7.795 -33.408 17.595 1.00 49.58 C ATOM 159 CD1 ILE A 731 9.347 -31.654 15.583 1.00 42.48 C ATOM 160 H ILE A 731 5.387 -32.240 14.474 1.00 0.00 H ATOM 161 N LEU A 732 5.003 -35.220 17.395 1.00 53.62 N ATOM 162 CA LEU A 732 4.066 -35.566 18.463 1.00 59.34 C ATOM 163 C LEU A 732 4.843 -35.602 19.775 1.00 64.02 C ATOM 164 O LEU A 732 5.477 -36.607 20.108 1.00 67.37 O ATOM 165 CB LEU A 732 3.379 -36.895 18.167 1.00 47.10 C ATOM 166 CG LEU A 732 2.172 -36.757 17.238 1.00 60.95 C ATOM 167 CD1 LEU A 732 1.894 -38.041 16.479 1.00 48.73 C ATOM 168 CD2 LEU A 732 0.953 -36.337 18.050 1.00 65.61 C ATOM 169 H LEU A 732 5.677 -35.944 17.074 1.00 0.00 H ATOM 170 N ARG A 733 4.777 -34.500 20.522 1.00 69.89 N ATOM 171 CA ARG A 733 5.598 -34.319 21.714 1.00 55.84 C ATOM 172 C ARG A 733 5.137 -35.255 22.822 1.00 65.43 C ATOM 173 O ARG A 733 4.099 -35.025 23.451 1.00 71.00 O ATOM 174 CB ARG A 733 5.532 -32.866 22.178 1.00 60.24 C ATOM 175 CG ARG A 733 6.187 -32.616 23.529 1.00 59.29 C ATOM 176 CD ARG A 733 6.368 -31.126 23.788 1.00 62.13 C ATOM 177 NE ARG A 733 5.099 -30.431 23.989 1.00 57.99 N ATOM 178 CZ ARG A 733 4.975 -29.109 24.073 1.00 60.95 C ATOM 179 NH1 ARG A 733 6.042 -28.330 23.966 1.00 64.60 N ATOM 180 NH2 ARG A 733 3.783 -28.565 24.263 1.00 67.54 N ATOM 181 HE ARG A 733 4.237 -31.007 24.072 1.00 0.00 H ATOM 182 HH12 ARG A 733 5.940 -27.297 24.032 1.00 0.00 H ATOM 183 HH11 ARG A 733 6.981 -28.752 23.816 1.00 0.00 H ATOM 184 HH22 ARG A 733 3.688 -27.531 24.328 1.00 0.00 H ATOM 185 HH21 ARG A 733 2.942 -29.171 24.347 1.00 0.00 H ATOM 186 H ARG A 733 4.118 -33.744 20.246 1.00 0.00 H ATOM 187 N GLN A 734 5.913 -36.304 23.072 1.00 72.40 N ATOM 188 CA GLN A 734 5.694 -37.130 24.247 1.00 62.32 C ATOM 189 C GLN A 734 6.359 -36.484 25.455 1.00 52.64 C ATOM 190 O GLN A 734 7.413 -35.850 25.342 1.00 46.09 O ATOM 191 CB GLN A 734 6.238 -38.540 24.032 1.00 62.36 C ATOM 192 CG GLN A 734 5.422 -39.362 23.050 1.00 65.36 C ATOM 193 CD GLN A 734 3.947 -39.423 23.415 1.00 76.27 C ATOM 194 OE1 GLN A 734 3.588 -39.621 24.577 1.00 76.87 O ATOM 195 NE2 GLN A 734 3.085 -39.236 22.423 1.00 85.20 N ATOM 196 HE22 GLN A 734 3.432 -39.072 21.456 1.00 0.00 H ATOM 197 HE21 GLN A 734 2.063 -39.253 22.612 1.00 0.00 H ATOM 198 H GLN A 734 6.687 -36.537 22.418 1.00 0.00 H ATOM 199 N THR A 735 5.721 -36.643 26.613 1.00 58.25 N ATOM 200 CA THR A 735 6.165 -35.998 27.842 1.00 69.45 C ATOM 201 C THR A 735 7.685 -35.977 27.939 1.00 70.88 C ATOM 202 O THR A 735 8.346 -37.012 27.824 1.00 68.44 O ATOM 203 CB THR A 735 5.570 -36.722 29.054 1.00 69.21 C ATOM 204 OG1 THR A 735 6.176 -36.224 30.254 1.00 78.99 O ATOM 205 CG2 THR A 735 5.790 -38.228 28.947 1.00 57.86 C ATOM 206 HG1 THR A 735 5.790 -36.693 31.036 1.00 0.00 H ATOM 207 H THR A 735 4.876 -37.249 26.641 1.00 0.00 H ATOM 208 N GLY A 736 8.231 -34.781 28.132 1.00 55.31 N ATOM 209 CA GLY A 736 9.668 -34.578 28.136 1.00 65.65 C ATOM 210 C GLY A 736 10.163 -33.630 27.067 1.00 59.33 C ATOM 211 O GLY A 736 11.366 -33.331 27.040 1.00 48.74 O ATOM 212 H GLY A 736 7.608 -33.963 28.285 1.00 0.00 H ATOM 213 N GLY A 737 9.302 -33.150 26.183 1.00 46.93 N ATOM 214 CA GLY A 737 9.693 -32.177 25.187 1.00 62.33 C ATOM 215 C GLY A 737 9.850 -32.781 23.808 1.00 54.68 C ATOM 216 O GLY A 737 9.555 -33.953 23.552 1.00 45.84 O ATOM 217 H GLY A 737 8.317 -33.482 26.206 1.00 0.00 H ATOM 218 N LEU A 738 10.339 -31.935 22.900 1.00 58.96 N ATOM 219 CA LEU A 738 10.512 -32.315 21.506 1.00 48.84 C ATOM 220 C LEU A 738 11.798 -33.088 21.261 1.00 44.56 C ATOM 221 O LEU A 738 11.895 -33.801 20.256 1.00 42.28 O ATOM 222 CB LEU A 738 10.510 -31.065 20.624 1.00 54.96 C ATOM 223 CG LEU A 738 9.408 -30.039 20.891 1.00 53.78 C ATOM 224 CD1 LEU A 738 9.642 -28.781 20.066 1.00 54.36 C ATOM 225 CD2 LEU A 738 8.044 -30.631 20.592 1.00 53.83 C ATOM 226 H LEU A 738 10.605 -30.975 23.197 1.00 0.00 H ATOM 227 N GLY A 739 12.786 -32.953 22.139 1.00 61.02 N ATOM 228 CA GLY A 739 14.052 -33.631 21.957 1.00 48.95 C ATOM 229 C GLY A 739 14.903 -33.006 20.872 1.00 46.39 C ATOM 230 O GLY A 739 15.441 -33.712 20.013 1.00 47.72 O ATOM 231 H GLY A 739 12.647 -32.348 22.974 1.00 0.00 H ATOM 232 N ILE A 740 15.030 -31.679 20.895 1.00 48.81 N ATOM 233 CA ILE A 740 15.847 -30.945 19.936 1.00 52.64 C ATOM 234 C ILE A 740 16.432 -29.720 20.630 1.00 51.73 C ATOM 235 O ILE A 740 16.033 -29.355 21.738 1.00 46.67 O ATOM 236 CB ILE A 740 15.048 -30.506 18.688 1.00 47.16 C ATOM 237 CG1 ILE A 740 13.769 -29.775 19.104 1.00 45.61 C ATOM 238 CG2 ILE A 740 14.720 -31.701 17.811 1.00 53.67 C ATOM 239 CD1 ILE A 740 13.240 -28.826 18.054 1.00 38.32 C ATOM 240 H ILE A 740 14.524 -31.144 21.629 1.00 0.00 H ATOM 241 N SER A 741 17.387 -29.077 19.963 1.00 48.32 N ATOM 242 CA SER A 741 17.939 -27.801 20.397 1.00 53.67 C ATOM 243 C SER A 741 18.015 -26.870 19.196 1.00 49.19 C ATOM 244 O SER A 741 18.434 -27.280 18.109 1.00 49.63 O ATOM 245 CB SER A 741 19.328 -27.967 21.026 1.00 35.80 C ATOM 246 OG SER A 741 19.258 -28.708 22.232 1.00 53.12 O ATOM 247 HG SER A 741 20.166 -28.799 22.615 1.00 0.00 H ATOM 248 H SER A 741 17.757 -29.506 19.091 1.00 0.00 H ATOM 249 N ILE A 742 17.603 -25.619 19.394 1.00 35.19 N ATOM 250 CA ILE A 742 17.582 -24.623 18.330 1.00 40.11 C ATOM 251 C ILE A 742 18.721 -23.640 18.553 1.00 41.84 C ATOM 252 O ILE A 742 19.143 -23.391 19.688 1.00 45.13 O ATOM 253 CB ILE A 742 16.232 -23.876 18.258 1.00 40.86 C ATOM 254 CG1 ILE A 742 15.917 -23.206 19.597 1.00 39.81 C ATOM 255 CG2 ILE A 742 15.122 -24.835 17.860 1.00 50.79 C ATOM 256 CD1 ILE A 742 14.706 -22.292 19.558 1.00 41.65 C ATOM 257 H ILE A 742 17.284 -25.342 20.344 1.00 0.00 H ATOM 258 N ALA A 743 19.208 -23.063 17.455 1.00 35.20 N ATOM 259 CA ALA A 743 20.334 -22.141 17.501 1.00 45.43 C ATOM 260 C ALA A 743 20.131 -21.029 16.485 1.00 37.63 C ATOM 261 O ALA A 743 19.771 -21.295 15.335 1.00 32.78 O ATOM 262 CB ALA A 743 21.655 -22.868 17.221 1.00 51.54 C ATOM 263 H ALA A 743 18.770 -23.278 16.536 1.00 0.00 H ATOM 264 N GLY A 744 20.370 -19.796 16.911 1.00 49.86 N ATOM 265 CA GLY A 744 20.311 -18.642 16.036 1.00 41.11 C ATOM 266 C GLY A 744 19.159 -17.718 16.392 1.00 54.38 C ATOM 267 O GLY A 744 18.358 -17.980 17.291 1.00 45.69 O ATOM 268 H GLY A 744 20.609 -19.651 17.913 1.00 0.00 H ATOM 269 N GLY A 745 19.098 -16.622 15.657 1.00 56.36 N ATOM 270 CA GLY A 745 18.054 -15.631 15.821 1.00 49.72 C ATOM 271 C GLY A 745 18.559 -14.246 15.478 1.00 41.86 C ATOM 272 O GLY A 745 19.756 -13.964 15.483 1.00 49.68 O ATOM 273 H GLY A 745 19.828 -16.464 14.933 1.00 0.00 H ATOM 274 N LYS A 746 17.613 -13.364 15.153 1.00 42.60 N ATOM 275 CA LYS A 746 17.905 -11.952 14.922 1.00 52.59 C ATOM 276 C LYS A 746 18.700 -11.399 16.097 1.00 53.51 C ATOM 277 O LYS A 746 18.175 -11.278 17.209 1.00 56.10 O ATOM 278 CB LYS A 746 16.596 -11.179 14.708 1.00 53.08 C ATOM 279 CG LYS A 746 16.649 -9.670 14.967 1.00 58.81 C ATOM 280 CD LYS A 746 16.872 -8.857 13.698 1.00 68.67 C ATOM 281 CE LYS A 746 16.869 -7.359 14.005 1.00 67.82 C ATOM 282 NZ LYS A 746 16.944 -6.505 12.784 1.00 78.31 N ATOM 283 HZ1 LYS A 746 17.821 -6.717 12.267 1.00 0.00 H ATOM 284 HZ2 LYS A 746 16.125 -6.702 12.174 1.00 0.00 H ATOM 285 HZ3 LYS A 746 16.938 -5.503 13.062 1.00 0.00 H ATOM 286 H LYS A 746 16.631 -13.694 15.061 1.00 0.00 H ATOM 287 N GLY A 747 19.960 -11.053 15.856 1.00 54.65 N ATOM 288 CA GLY A 747 20.840 -10.571 16.897 1.00 46.19 C ATOM 289 C GLY A 747 21.753 -11.613 17.502 1.00 48.08 C ATOM 290 O GLY A 747 22.422 -11.317 18.499 1.00 59.99 O ATOM 291 H GLY A 747 20.326 -11.132 14.886 1.00 0.00 H ATOM 292 N SER A 748 21.802 -12.816 16.937 1.00 47.05 N ATOM 293 CA SER A 748 22.633 -13.901 17.435 1.00 57.40 C ATOM 294 C SER A 748 23.650 -14.299 16.372 1.00 63.04 C ATOM 295 O SER A 748 23.590 -13.857 15.221 1.00 34.92 O ATOM 296 CB SER A 748 21.779 -15.116 17.828 1.00 53.01 C ATOM 297 OG SER A 748 20.937 -14.824 18.930 1.00 56.62 O ATOM 298 HG SER A 748 20.331 -14.078 18.692 1.00 0.00 H ATOM 299 H SER A 748 21.216 -12.990 16.096 1.00 0.00 H ATOM 300 N THR A 749 24.592 -15.145 16.770 1.00 67.05 N ATOM 301 CA THR A 749 25.629 -15.608 15.853 1.00 62.17 C ATOM 302 C THR A 749 25.021 -16.578 14.845 1.00 62.03 C ATOM 303 O THR A 749 24.427 -17.584 15.253 1.00 59.84 O ATOM 304 CB THR A 749 26.763 -16.283 16.622 1.00 66.80 C ATOM 305 OG1 THR A 749 27.291 -15.377 17.599 1.00 60.97 O ATOM 306 CG2 THR A 749 27.878 -16.698 15.671 1.00 58.55 C ATOM 307 HG1 THR A 749 26.573 -15.120 18.231 1.00 0.00 H ATOM 308 H THR A 749 24.591 -15.484 17.753 1.00 0.00 H ATOM 309 N PRO A 750 25.134 -16.321 13.541 1.00 69.60 N ATOM 310 CA PRO A 750 24.511 -17.221 12.561 1.00 59.90 C ATOM 311 C PRO A 750 25.002 -18.657 12.686 1.00 59.90 C ATOM 312 O PRO A 750 26.137 -18.921 13.089 1.00 54.40 O ATOM 313 CB PRO A 750 24.916 -16.610 11.212 1.00 54.98 C ATOM 314 CG PRO A 750 25.145 -15.161 11.510 1.00 44.45 C ATOM 315 CD PRO A 750 25.703 -15.117 12.904 1.00 56.94 C ATOM 316 N TYR A 751 24.116 -19.590 12.331 1.00 58.30 N ATOM 317 CA TYR A 751 24.447 -21.009 12.271 1.00 49.29 C ATOM 318 C TYR A 751 25.060 -21.401 10.935 1.00 46.94 C ATOM 319 O TYR A 751 25.847 -22.354 10.876 1.00 49.83 O ATOM 320 CB TYR A 751 23.187 -21.847 12.514 1.00 47.97 C ATOM 321 CG TYR A 751 23.448 -23.277 12.938 1.00 43.02 C ATOM 322 CD1 TYR A 751 23.633 -23.597 14.275 1.00 42.38 C ATOM 323 CD2 TYR A 751 23.492 -24.308 12.006 1.00 32.17 C ATOM 324 CE1 TYR A 751 23.865 -24.898 14.676 1.00 40.52 C ATOM 325 CE2 TYR A 751 23.723 -25.617 12.398 1.00 26.28 C ATOM 326 CZ TYR A 751 23.908 -25.904 13.734 1.00 36.58 C ATOM 327 OH TYR A 751 24.138 -27.200 14.134 1.00 50.50 O ATOM 328 HH TYR A 751 24.247 -27.226 15.118 1.00 0.00 H ATOM 329 H TYR A 751 23.150 -19.293 12.087 1.00 0.00 H ATOM 330 N LYS A 752 24.723 -20.679 9.868 1.00 43.70 N ATOM 331 CA LYS A 752 25.206 -20.975 8.522 1.00 46.21 C ATOM 332 C LYS A 752 25.445 -19.645 7.821 1.00 49.97 C ATOM 333 O LYS A 752 24.489 -18.953 7.459 1.00 50.61 O ATOM 334 CB LYS A 752 24.200 -21.829 7.751 1.00 56.43 C ATOM 335 CG LYS A 752 24.670 -22.289 6.377 1.00 59.58 C ATOM 336 CD LYS A 752 23.528 -22.243 5.367 1.00 63.57 C ATOM 337 CE LYS A 752 23.281 -20.820 4.879 1.00 68.45 C ATOM 338 NZ LYS A 752 21.893 -20.618 4.378 1.00 51.01 N ATOM 339 HZ1 LYS A 752 21.715 -21.264 3.582 1.00 0.00 H ATOM 340 HZ2 LYS A 752 21.217 -20.815 5.144 1.00 0.00 H ATOM 341 HZ3 LYS A 752 21.780 -19.634 4.059 1.00 0.00 H ATOM 342 H LYS A 752 24.087 -19.867 9.999 1.00 0.00 H ATOM 343 N GLY A 753 26.711 -19.282 7.636 1.00 57.02 N ATOM 344 CA GLY A 753 27.037 -18.039 6.975 1.00 59.31 C ATOM 345 C GLY A 753 26.630 -16.837 7.802 1.00 55.10 C ATOM 346 O GLY A 753 27.051 -16.694 8.955 1.00 55.64 O ATOM 347 H GLY A 753 27.477 -19.901 7.971 1.00 0.00 H ATOM 348 N ASP A 754 25.817 -15.960 7.214 1.00 52.61 N ATOM 349 CA ASP A 754 25.235 -14.826 7.921 1.00 59.23 C ATOM 350 C ASP A 754 23.726 -14.976 8.088 1.00 59.62 C ATOM 351 O ASP A 754 23.030 -13.988 8.346 1.00 54.69 O ATOM 352 CB ASP A 754 25.563 -13.521 7.192 1.00 60.57 C ATOM 353 CG ASP A 754 25.201 -13.565 5.719 1.00 66.19 C ATOM 354 OD1 ASP A 754 23.994 -13.524 5.398 1.00 69.37 O ATOM 355 OD2 ASP A 754 26.126 -13.638 4.884 1.00 66.93 O ATOM 356 H ASP A 754 25.588 -16.090 6.208 1.00 0.00 H ATOM 357 N ASP A 755 23.212 -16.196 7.952 1.00 57.02 N ATOM 358 CA ASP A 755 21.779 -16.442 8.044 1.00 53.88 C ATOM 359 C ASP A 755 21.332 -16.362 9.499 1.00 50.23 C ATOM 360 O ASP A 755 21.846 -17.088 10.356 1.00 56.64 O ATOM 361 CB ASP A 755 21.451 -17.811 7.452 1.00 54.89 C ATOM 362 CG ASP A 755 19.965 -18.018 7.240 1.00 46.16 C ATOM 363 OD1 ASP A 755 19.161 -17.432 7.996 1.00 36.19 O ATOM 364 OD2 ASP A 755 19.599 -18.772 6.313 1.00 45.22 O ATOM 365 H ASP A 755 23.852 -16.997 7.775 1.00 0.00 H ATOM 366 N GLU A 756 20.367 -15.482 9.776 1.00 54.84 N ATOM 367 CA GLU A 756 19.852 -15.283 11.125 1.00 55.34 C ATOM 368 C GLU A 756 18.635 -16.152 11.422 1.00 49.19 C ATOM 369 O GLU A 756 17.803 -15.783 12.262 1.00 45.47 O ATOM 370 CB GLU A 756 19.501 -13.811 11.339 1.00 61.58 C ATOM 371 CG GLU A 756 20.484 -12.835 10.726 1.00 67.26 C ATOM 372 CD GLU A 756 20.105 -11.395 11.003 1.00 79.42 C ATOM 373 OE1 GLU A 756 18.926 -11.038 10.797 1.00 76.00 O ATOM 374 OE2 GLU A 756 20.983 -10.624 11.443 1.00 92.54 O ATOM 375 H GLU A 756 19.967 -14.917 9.000 1.00 0.00 H ATOM 376 N GLY A 757 18.504 -17.292 10.750 1.00 43.58 N ATOM 377 CA GLY A 757 17.355 -18.149 10.930 1.00 34.19 C ATOM 378 C GLY A 757 17.451 -19.007 12.175 1.00 35.24 C ATOM 379 O GLY A 757 18.408 -18.948 12.948 1.00 33.96 O ATOM 380 H GLY A 757 19.247 -17.573 10.079 1.00 0.00 H ATOM 381 N ILE A 758 16.420 -19.825 12.365 1.00 36.67 N ATOM 382 CA ILE A 758 16.325 -20.733 13.501 1.00 35.42 C ATOM 383 C ILE A 758 16.655 -22.129 12.983 1.00 40.46 C ATOM 384 O ILE A 758 15.820 -22.785 12.354 1.00 31.70 O ATOM 385 CB ILE A 758 14.940 -20.689 14.154 1.00 31.73 C ATOM 386 CG1 ILE A 758 14.522 -19.244 14.447 1.00 34.16 C ATOM 387 CG2 ILE A 758 14.934 -21.530 15.425 1.00 35.63 C ATOM 388 CD1 ILE A 758 15.423 -18.514 15.419 1.00 48.83 C ATOM 389 H ILE A 758 15.646 -19.816 11.671 1.00 0.00 H ATOM 390 N PHE A 759 17.873 -22.589 13.250 1.00 35.06 N ATOM 391 CA PHE A 759 18.336 -23.890 12.792 1.00 36.10 C ATOM 392 C PHE A 759 18.266 -24.909 13.924 1.00 34.43 C ATOM 393 O PHE A 759 18.423 -24.571 15.101 1.00 35.06 O ATOM 394 CB PHE A 759 19.771 -23.801 12.263 1.00 31.99 C ATOM 395 CG PHE A 759 19.933 -22.869 11.092 1.00 35.60 C ATOM 396 CD1 PHE A 759 20.001 -21.498 11.284 1.00 43.29 C ATOM 397 CD2 PHE A 759 20.028 -23.364 9.800 1.00 33.61 C ATOM 398 CE1 PHE A 759 20.154 -20.638 10.210 1.00 41.05 C ATOM 399 CE2 PHE A 759 20.180 -22.507 8.723 1.00 33.88 C ATOM 400 CZ PHE A 759 20.244 -21.143 8.929 1.00 40.91 C ATOM 401 H PHE A 759 18.520 -21.996 13.808 1.00 0.00 H ATOM 402 N ILE A 760 18.021 -26.163 13.554 1.00 44.99 N ATOM 403 CA ILE A 760 18.023 -27.269 14.506 1.00 29.98 C ATOM 404 C ILE A 760 19.477 -27.634 14.790 1.00 34.74 C ATOM 405 O ILE A 760 20.182 -28.134 13.911 1.00 36.64 O ATOM 406 CB ILE A 760 17.247 -28.477 13.971 1.00 32.33 C ATOM 407 CG1 ILE A 760 15.814 -28.085 13.601 1.00 27.13 C ATOM 408 CG2 ILE A 760 17.250 -29.601 14.998 1.00 36.96 C ATOM 409 CD1 ILE A 760 14.997 -27.549 14.754 1.00 39.82 C ATOM 410 H ILE A 760 17.821 -26.362 12.553 1.00 0.00 H ATOM 411 N SER A 761 19.926 -27.392 16.022 1.00 44.15 N ATOM 412 CA SER A 761 21.307 -27.668 16.399 1.00 34.80 C ATOM 413 C SER A 761 21.514 -29.097 16.882 1.00 36.40 C ATOM 414 O SER A 761 22.623 -29.629 16.752 1.00 40.87 O ATOM 415 CB SER A 761 21.761 -26.687 17.483 1.00 40.15 C ATOM 416 OG SER A 761 20.777 -26.555 18.493 1.00 52.72 O ATOM 417 HG SER A 761 19.937 -26.219 18.092 1.00 0.00 H ATOM 418 H SER A 761 19.276 -26.997 16.731 1.00 0.00 H ATOM 419 N ARG A 762 20.482 -29.730 17.438 1.00 52.35 N ATOM 420 CA ARG A 762 20.569 -31.131 17.824 1.00 37.97 C ATOM 421 C ARG A 762 19.210 -31.788 17.637 1.00 34.78 C ATOM 422 O ARG A 762 18.168 -31.129 17.669 1.00 40.60 O ATOM 423 CB ARG A 762 21.037 -31.306 19.279 1.00 37.28 C ATOM 424 CG ARG A 762 19.913 -31.445 20.316 1.00 47.53 C ATOM 425 CD ARG A 762 20.477 -31.807 21.692 1.00 44.38 C ATOM 426 NE ARG A 762 20.868 -33.214 21.761 1.00 40.13 N ATOM 427 CZ ARG A 762 20.307 -34.123 22.557 1.00 42.13 C ATOM 428 NH1 ARG A 762 20.739 -35.375 22.528 1.00 49.99 N ATOM 429 NH2 ARG A 762 19.330 -33.790 23.393 1.00 41.60 N ATOM 430 HE ARG A 762 21.642 -33.529 21.142 1.00 0.00 H ATOM 431 HH12 ARG A 762 20.305 -36.089 23.147 1.00 0.00 H ATOM 432 HH11 ARG A 762 21.512 -35.644 21.886 1.00 0.00 H ATOM 433 HH22 ARG A 762 18.903 -34.512 24.008 1.00 0.00 H ATOM 434 HH21 ARG A 762 18.992 -32.807 23.433 1.00 0.00 H ATOM 435 H ARG A 762 19.595 -29.212 17.600 1.00 0.00 H ATOM 436 N VAL A 763 19.239 -33.108 17.459 1.00 34.56 N ATOM 437 CA VAL A 763 18.030 -33.924 17.463 1.00 45.38 C ATOM 438 C VAL A 763 18.318 -35.181 18.275 1.00 50.04 C ATOM 439 O VAL A 763 18.949 -36.122 17.778 1.00 41.14 O ATOM 440 CB VAL A 763 17.566 -34.285 16.040 1.00 46.55 C ATOM 441 CG1 VAL A 763 16.116 -34.771 16.066 1.00 44.92 C ATOM 442 CG2 VAL A 763 17.732 -33.103 15.095 1.00 41.71 C ATOM 443 H VAL A 763 20.157 -33.574 17.312 1.00 0.00 H ATOM 444 N SER A 764 17.870 -35.205 19.530 1.00 52.93 N ATOM 445 CA SER A 764 18.058 -36.377 20.376 1.00 46.86 C ATOM 446 C SER A 764 17.446 -37.603 19.708 1.00 54.98 C ATOM 447 O SER A 764 16.220 -37.724 19.625 1.00 57.19 O ATOM 448 CB SER A 764 17.441 -36.154 21.757 1.00 50.34 C ATOM 449 OG SER A 764 16.027 -36.101 21.690 1.00 65.31 O ATOM 450 HG SER A 764 15.683 -36.955 21.326 1.00 0.00 H ATOM 451 H SER A 764 17.378 -34.373 19.913 1.00 0.00 H ATOM 452 N GLU A 765 18.293 -38.512 19.224 1.00 60.92 N ATOM 453 CA GLU A 765 17.810 -39.686 18.509 1.00 54.92 C ATOM 454 C GLU A 765 16.806 -40.457 19.357 1.00 56.82 C ATOM 455 O GLU A 765 16.882 -40.481 20.589 1.00 57.74 O ATOM 456 CB GLU A 765 18.985 -40.587 18.120 1.00 69.52 C ATOM 457 CG GLU A 765 18.595 -41.846 17.351 1.00 76.60 C ATOM 458 CD GLU A 765 17.774 -41.555 16.108 1.00 67.68 C ATOM 459 OE1 GLU A 765 16.593 -41.174 16.250 1.00 59.43 O ATOM 460 OE2 GLU A 765 18.310 -41.706 14.990 1.00 86.62 O ATOM 461 H GLU A 765 19.316 -38.381 19.359 1.00 0.00 H ATOM 462 N GLU A 766 15.854 -41.093 18.675 1.00 65.42 N ATOM 463 CA GLU A 766 14.731 -41.786 19.302 1.00 63.34 C ATOM 464 C GLU A 766 13.879 -40.851 20.156 1.00 48.56 C ATOM 465 O GLU A 766 13.145 -41.306 21.041 1.00 44.16 O ATOM 466 CB GLU A 766 15.202 -42.983 20.137 1.00 79.85 C ATOM 467 CG GLU A 766 15.613 -44.192 19.301 1.00 78.40 C ATOM 468 CD GLU A 766 15.418 -45.511 20.029 1.00 71.84 C ATOM 469 OE1 GLU A 766 14.566 -45.578 20.940 1.00 82.54 O ATOM 470 OE2 GLU A 766 16.119 -46.486 19.686 1.00 60.21 O ATOM 471 H GLU A 766 15.914 -41.096 17.637 1.00 0.00 H ATOM 472 N GLY A 767 13.962 -39.548 19.905 1.00 53.12 N ATOM 473 CA GLY A 767 13.061 -38.596 20.505 1.00 47.60 C ATOM 474 C GLY A 767 11.892 -38.330 19.582 1.00 58.08 C ATOM 475 O GLY A 767 11.817 -38.870 18.473 1.00 49.64 O ATOM 476 H GLY A 767 14.699 -39.205 19.256 1.00 0.00 H ATOM 477 N PRO A 768 10.951 -37.490 20.018 1.00 50.46 N ATOM 478 CA PRO A 768 9.789 -37.206 19.153 1.00 49.01 C ATOM 479 C PRO A 768 10.172 -36.606 17.808 1.00 55.49 C ATOM 480 O PRO A 768 9.665 -37.046 16.766 1.00 42.67 O ATOM 481 CB PRO A 768 8.951 -36.238 20.006 1.00 60.83 C ATOM 482 CG PRO A 768 9.395 -36.481 21.424 1.00 62.76 C ATOM 483 CD PRO A 768 10.850 -36.830 21.332 1.00 59.85 C ATOM 484 N ALA A 769 11.066 -35.612 17.799 1.00 57.91 N ATOM 485 CA ALA A 769 11.437 -34.934 16.562 1.00 44.84 C ATOM 486 C ALA A 769 12.311 -35.793 15.658 1.00 34.48 C ATOM 487 O ALA A 769 12.353 -35.552 14.447 1.00 27.60 O ATOM 488 CB ALA A 769 12.167 -33.627 16.878 1.00 37.88 C ATOM 489 H ALA A 769 11.506 -35.316 18.693 1.00 0.00 H ATOM 490 N ALA A 770 13.022 -36.773 16.218 1.00 46.16 N ATOM 491 CA ALA A 770 13.813 -37.679 15.393 1.00 38.09 C ATOM 492 C ALA A 770 12.912 -38.640 14.627 1.00 35.16 C ATOM 493 O ALA A 770 13.084 -38.841 13.419 1.00 37.41 O ATOM 494 CB ALA A 770 14.803 -38.446 16.269 1.00 38.48 C ATOM 495 H ALA A 770 13.012 -36.892 17.251 1.00 0.00 H ATOM 496 N ARG A 771 11.936 -39.236 15.316 1.00 34.23 N ATOM 497 CA ARG A 771 11.010 -40.154 14.664 1.00 42.29 C ATOM 498 C ARG A 771 10.188 -39.468 13.580 1.00 48.45 C ATOM 499 O ARG A 771 9.606 -40.155 12.733 1.00 40.39 O ATOM 500 CB ARG A 771 10.076 -40.779 15.705 1.00 47.34 C ATOM 501 CG ARG A 771 9.897 -42.285 15.557 1.00 76.00 C ATOM 502 CD ARG A 771 8.957 -42.859 16.616 1.00 83.60 C ATOM 503 NE ARG A 771 9.440 -42.629 17.977 1.00 86.09 N ATOM 504 CZ ARG A 771 8.938 -41.724 18.816 1.00 69.71 C ATOM 505 NH1 ARG A 771 9.451 -41.594 20.032 1.00 74.88 N ATOM 506 NH2 ARG A 771 7.922 -40.954 18.451 1.00 60.62 N ATOM 507 HE ARG A 771 10.232 -43.213 18.314 1.00 0.00 H ATOM 508 HH12 ARG A 771 9.061 -40.888 20.688 1.00 0.00 H ATOM 509 HH11 ARG A 771 10.244 -42.198 20.329 1.00 0.00 H ATOM 510 HH22 ARG A 771 7.538 -40.251 19.114 1.00 0.00 H ATOM 511 HH21 ARG A 771 7.509 -41.053 17.502 1.00 0.00 H ATOM 512 H ARG A 771 11.835 -39.043 16.333 1.00 0.00 H ATOM 513 N ALA A 772 10.133 -38.135 13.582 1.00 41.90 N ATOM 514 CA ALA A 772 9.326 -37.388 12.627 1.00 32.37 C ATOM 515 C ALA A 772 10.097 -36.970 11.383 1.00 37.11 C ATOM 516 O ALA A 772 9.478 -36.499 10.423 1.00 41.18 O ATOM 517 CB ALA A 772 8.742 -36.138 13.295 1.00 42.23 C ATOM 518 H ALA A 772 10.686 -37.611 14.290 1.00 0.00 H ATOM 519 N GLY A 773 11.421 -37.119 11.378 1.00 31.83 N ATOM 520 CA GLY A 773 12.235 -36.799 10.222 1.00 31.55 C ATOM 521 C GLY A 773 13.128 -35.592 10.388 1.00 41.42 C ATOM 522 O GLY A 773 13.924 -35.304 9.484 1.00 36.99 O ATOM 523 H GLY A 773 11.888 -37.478 12.235 1.00 0.00 H ATOM 524 N VAL A 774 13.027 -34.871 11.507 1.00 39.33 N ATOM 525 CA VAL A 774 13.859 -33.695 11.704 1.00 41.94 C ATOM 526 C VAL A 774 15.326 -34.115 11.727 1.00 30.19 C ATOM 527 O VAL A 774 15.672 -35.235 12.123 1.00 44.20 O ATOM 528 CB VAL A 774 13.475 -32.963 13.001 1.00 36.06 C ATOM 529 CG1 VAL A 774 14.218 -31.641 13.101 1.00 40.02 C ATOM 530 CG2 VAL A 774 11.971 -32.737 13.063 1.00 38.41 C ATOM 531 H VAL A 774 12.348 -35.153 12.243 1.00 0.00 H ATOM 532 N ARG A 775 16.198 -33.209 11.285 1.00 33.86 N ATOM 533 CA ARG A 775 17.629 -33.470 11.269 1.00 41.19 C ATOM 534 C ARG A 775 18.385 -32.216 11.684 1.00 36.58 C ATOM 535 O ARG A 775 17.851 -31.104 11.658 1.00 31.74 O ATOM 536 CB ARG A 775 18.121 -33.916 9.886 1.00 34.52 C ATOM 537 CG ARG A 775 17.085 -34.629 9.045 1.00 48.50 C ATOM 538 CD ARG A 775 17.739 -35.324 7.864 1.00 32.70 C ATOM 539 NE ARG A 775 18.320 -36.606 8.254 1.00 53.34 N ATOM 540 CZ ARG A 775 17.785 -37.791 7.973 1.00 55.60 C ATOM 541 NH1 ARG A 775 16.655 -37.876 7.283 1.00 43.32 N ATOM 542 NH2 ARG A 775 18.389 -38.899 8.377 1.00 59.59 N ATOM 543 HE ARG A 775 19.213 -36.591 8.788 1.00 0.00 H ATOM 544 HH12 ARG A 775 16.245 -38.808 7.069 1.00 0.00 H ATOM 545 HH11 ARG A 775 16.179 -37.011 6.956 1.00 0.00 H ATOM 546 HH22 ARG A 775 17.973 -39.827 8.159 1.00 0.00 H ATOM 547 HH21 ARG A 775 19.279 -38.841 8.912 1.00 0.00 H ATOM 548 H ARG A 775 15.846 -32.292 10.943 1.00 0.00 H ATOM 549 N VAL A 776 19.651 -32.413 12.061 1.00 42.53 N ATOM 550 CA VAL A 776 20.509 -31.290 12.411 1.00 43.03 C ATOM 551 C VAL A 776 20.647 -30.358 11.217 1.00 41.87 C ATOM 552 O VAL A 776 20.794 -30.798 10.069 1.00 45.13 O ATOM 553 CB VAL A 776 21.884 -31.793 12.879 1.00 43.34 C ATOM 554 CG1 VAL A 776 22.884 -30.643 12.950 1.00 44.77 C ATOM 555 CG2 VAL A 776 21.762 -32.484 14.226 1.00 41.39 C ATOM 556 H VAL A 776 20.029 -33.381 12.105 1.00 0.00 H ATOM 557 N GLY A 777 20.601 -29.055 11.486 1.00 32.17 N ATOM 558 CA GLY A 777 20.790 -28.050 10.469 1.00 22.81 C ATOM 559 C GLY A 777 19.526 -27.596 9.772 1.00 27.23 C ATOM 560 O GLY A 777 19.545 -26.555 9.106 1.00 36.04 O ATOM 561 H GLY A 777 20.422 -28.751 12.464 1.00 0.00 H ATOM 562 N ASP A 778 18.434 -28.346 9.896 1.00 20.86 N ATOM 563 CA ASP A 778 17.176 -27.931 9.292 1.00 30.38 C ATOM 564 C ASP A 778 16.787 -26.546 9.796 1.00 26.95 C ATOM 565 O ASP A 778 16.703 -26.312 11.005 1.00 32.91 O ATOM 566 CB ASP A 778 16.077 -28.945 9.609 1.00 32.42 C ATOM 567 CG ASP A 778 16.347 -30.305 8.996 1.00 38.30 C ATOM 568 OD1 ASP A 778 17.449 -30.497 8.440 1.00 44.39 O ATOM 569 OD2 ASP A 778 15.459 -31.180 9.066 1.00 29.87 O ATOM 570 H ASP A 778 18.480 -29.237 10.430 1.00 0.00 H ATOM 571 N LYS A 779 16.559 -25.626 8.859 1.00 32.13 N ATOM 572 CA LYS A 779 16.218 -24.249 9.198 1.00 36.01 C ATOM 573 C LYS A 779 14.720 -24.142 9.450 1.00 33.61 C ATOM 574 O LYS A 779 13.910 -24.453 8.571 1.00 36.49 O ATOM 575 CB LYS A 779 16.647 -23.304 8.078 1.00 25.80 C ATOM 576 CG LYS A 779 16.205 -21.868 8.280 1.00 23.48 C ATOM 577 CD LYS A 779 16.923 -20.926 7.324 1.00 39.83 C ATOM 578 CE LYS A 779 16.211 -19.584 7.242 1.00 43.80 C ATOM 579 NZ LYS A 779 17.023 -18.522 6.587 1.00 45.80 N ATOM 580 HZ1 LYS A 779 17.901 -18.378 7.125 1.00 0.00 H ATOM 581 HZ2 LYS A 779 17.254 -18.813 5.616 1.00 0.00 H ATOM 582 HZ3 LYS A 779 16.479 -17.636 6.564 1.00 0.00 H ATOM 583 H LYS A 779 16.626 -25.898 7.857 1.00 0.00 H ATOM 584 N LEU A 780 14.356 -23.687 10.646 1.00 31.93 N ATOM 585 CA LEU A 780 12.962 -23.646 11.069 1.00 27.94 C ATOM 586 C LEU A 780 12.295 -22.388 10.526 1.00 27.06 C ATOM 587 O LEU A 780 12.673 -21.270 10.892 1.00 33.05 O ATOM 588 CB LEU A 780 12.889 -23.687 12.593 1.00 29.95 C ATOM 589 CG LEU A 780 11.566 -24.069 13.252 1.00 39.86 C ATOM 590 CD1 LEU A 780 11.069 -25.400 12.734 1.00 44.95 C ATOM 591 CD2 LEU A 780 11.737 -24.123 14.764 1.00 48.74 C ATOM 592 H LEU A 780 15.090 -23.350 11.301 1.00 0.00 H ATOM 593 N LEU A 781 11.297 -22.571 9.662 1.00 39.73 N ATOM 594 CA LEU A 781 10.609 -21.458 9.020 1.00 44.77 C ATOM 595 C LEU A 781 9.277 -21.118 9.675 1.00 37.36 C ATOM 596 O LEU A 781 8.962 -19.937 9.847 1.00 31.43 O ATOM 597 CB LEU A 781 10.366 -21.772 7.539 1.00 35.36 C ATOM 598 CG LEU A 781 11.570 -22.219 6.709 1.00 42.80 C ATOM 599 CD1 LEU A 781 11.154 -22.431 5.257 1.00 19.23 C ATOM 600 CD2 LEU A 781 12.713 -21.219 6.808 1.00 32.84 C ATOM 601 H LEU A 781 10.999 -23.542 9.438 1.00 0.00 H ATOM 602 N GLU A 782 8.489 -22.124 10.045 1.00 39.50 N ATOM 603 CA GLU A 782 7.128 -21.902 10.513 1.00 37.56 C ATOM 604 C GLU A 782 6.720 -23.055 11.415 1.00 29.96 C ATOM 605 O GLU A 782 7.117 -24.201 11.196 1.00 38.95 O ATOM 606 CB GLU A 782 6.164 -21.775 9.329 1.00 35.34 C ATOM 607 CG GLU A 782 4.773 -21.304 9.688 1.00 42.29 C ATOM 608 CD GLU A 782 3.880 -21.201 8.469 1.00 38.99 C ATOM 609 OE1 GLU A 782 4.404 -20.918 7.371 1.00 55.01 O ATOM 610 OE2 GLU A 782 2.658 -21.413 8.604 1.00 57.30 O ATOM 611 H GLU A 782 8.855 -23.096 9.999 1.00 0.00 H ATOM 612 N VAL A 783 5.923 -22.738 12.434 1.00 37.15 N ATOM 613 CA VAL A 783 5.472 -23.726 13.410 1.00 32.40 C ATOM 614 C VAL A 783 3.989 -23.494 13.659 1.00 33.09 C ATOM 615 O VAL A 783 3.608 -22.471 14.238 1.00 38.50 O ATOM 616 CB VAL A 783 6.253 -23.646 14.730 1.00 29.96 C ATOM 617 CG1 VAL A 783 5.749 -24.699 15.704 1.00 31.23 C ATOM 618 CG2 VAL A 783 7.739 -23.808 14.477 1.00 35.72 C ATOM 619 H VAL A 783 5.611 -21.751 12.538 1.00 0.00 H ATOM 620 N ASN A 784 3.155 -24.442 13.233 1.00 40.40 N ATOM 621 CA ASN A 784 1.714 -24.400 13.477 1.00 34.90 C ATOM 622 C ASN A 784 1.123 -23.049 13.083 1.00 33.83 C ATOM 623 O ASN A 784 0.344 -22.439 13.820 1.00 30.03 O ATOM 624 CB ASN A 784 1.399 -24.726 14.939 1.00 34.53 C ATOM 625 CG ASN A 784 1.675 -26.176 15.286 1.00 45.04 C ATOM 626 OD1 ASN A 784 1.900 -27.003 14.404 1.00 41.11 O ATOM 627 ND2 ASN A 784 1.647 -26.493 16.575 1.00 49.01 N ATOM 628 HD22 ASN A 784 1.452 -25.760 17.287 1.00 0.00 H ATOM 629 HD21 ASN A 784 1.820 -27.474 16.873 1.00 0.00 H ATOM 630 H ASN A 784 3.546 -25.247 12.704 1.00 0.00 H ATOM 631 N GLY A 785 1.503 -22.579 11.898 1.00 35.25 N ATOM 632 CA GLY A 785 0.968 -21.347 11.364 1.00 34.24 C ATOM 633 C GLY A 785 1.653 -20.085 11.834 1.00 41.17 C ATOM 634 O GLY A 785 1.211 -18.989 11.462 1.00 41.12 O ATOM 635 H GLY A 785 2.202 -23.111 11.342 1.00 0.00 H ATOM 636 N VAL A 786 2.710 -20.194 12.633 1.00 44.23 N ATOM 637 CA VAL A 786 3.459 -19.041 13.120 1.00 47.72 C ATOM 638 C VAL A 786 4.768 -18.974 12.347 1.00 47.50 C ATOM 639 O VAL A 786 5.602 -19.883 12.443 1.00 31.67 O ATOM 640 CB VAL A 786 3.718 -19.126 14.632 1.00 38.57 C ATOM 641 CG1 VAL A 786 4.451 -17.881 15.113 1.00 48.96 C ATOM 642 CG2 VAL A 786 2.411 -19.308 15.383 1.00 38.00 C ATOM 643 H VAL A 786 3.017 -21.144 12.924 1.00 0.00 H ATOM 644 N ALA A 787 4.949 -17.898 11.586 1.00 41.16 N ATOM 645 CA ALA A 787 6.136 -17.739 10.760 1.00 43.24 C ATOM 646 C ALA A 787 7.284 -17.188 11.595 1.00 40.28 C ATOM 647 O ALA A 787 7.114 -16.212 12.333 1.00 48.36 O ATOM 648 CB ALA A 787 5.846 -16.807 9.584 1.00 55.70 C ATOM 649 H ALA A 787 4.224 -17.152 11.581 1.00 0.00 H ATOM 650 N LEU A 788 8.454 -17.810 11.474 1.00 33.51 N ATOM 651 CA LEU A 788 9.648 -17.384 12.200 1.00 44.41 C ATOM 652 C LEU A 788 10.558 -16.522 11.334 1.00 49.33 C ATOM 653 O LEU A 788 11.786 -16.621 11.416 1.00 39.08 O ATOM 654 CB LEU A 788 10.403 -18.599 12.728 1.00 41.52 C ATOM 655 CG LEU A 788 9.577 -19.570 13.574 1.00 43.75 C ATOM 656 CD1 LEU A 788 10.451 -20.701 14.091 1.00 33.71 C ATOM 657 CD2 LEU A 788 8.896 -18.851 14.728 1.00 44.64 C ATOM 658 H LEU A 788 8.521 -18.631 10.839 1.00 0.00 H ATOM 659 N GLN A 789 9.980 -15.664 10.498 1.00 58.06 N ATOM 660 CA GLN A 789 10.764 -14.803 9.620 1.00 47.64 C ATOM 661 C GLN A 789 11.265 -13.603 10.415 1.00 48.87 C ATOM 662 O GLN A 789 10.467 -12.850 10.985 1.00 40.17 O ATOM 663 CB GLN A 789 9.924 -14.353 8.427 1.00 53.48 C ATOM 664 CG GLN A 789 9.096 -15.465 7.788 1.00 63.16 C ATOM 665 CD GLN A 789 9.936 -16.631 7.300 1.00 51.57 C ATOM 666 OE1 GLN A 789 11.099 -16.467 6.932 1.00 63.49 O ATOM 667 NE2 GLN A 789 9.347 -17.821 7.297 1.00 41.88 N ATOM 668 HE22 GLN A 789 8.362 -17.914 7.617 1.00 0.00 H ATOM 669 HE21 GLN A 789 9.871 -18.660 6.975 1.00 0.00 H ATOM 670 H GLN A 789 8.942 -15.606 10.470 1.00 0.00 H ATOM 671 N GLY A 790 12.584 -13.428 10.457 1.00 67.23 N ATOM 672 CA GLY A 790 13.169 -12.355 11.233 1.00 58.76 C ATOM 673 C GLY A 790 12.972 -12.485 12.723 1.00 53.50 C ATOM 674 O GLY A 790 13.105 -11.494 13.446 1.00 43.85 O ATOM 675 H GLY A 790 13.203 -14.072 9.924 1.00 0.00 H ATOM 676 N ALA A 791 12.665 -13.686 13.206 1.00 56.11 N ATOM 677 CA ALA A 791 12.363 -13.892 14.613 1.00 63.82 C ATOM 678 C ALA A 791 13.638 -13.946 15.445 1.00 61.83 C ATOM 679 O ALA A 791 14.682 -14.426 14.995 1.00 48.40 O ATOM 680 CB ALA A 791 11.570 -15.186 14.804 1.00 39.65 C ATOM 681 H ALA A 791 12.640 -14.500 12.559 1.00 0.00 H ATOM 682 N GLU A 792 13.542 -13.438 16.672 1.00 60.26 N ATOM 683 CA GLU A 792 14.626 -13.572 17.630 1.00 43.20 C ATOM 684 C GLU A 792 14.691 -15.014 18.132 1.00 32.19 C ATOM 685 O GLU A 792 13.865 -15.864 17.785 1.00 57.17 O ATOM 686 CB GLU A 792 14.436 -12.604 18.795 1.00 55.76 C ATOM 687 CG GLU A 792 14.555 -11.131 18.435 1.00 40.78 C ATOM 688 CD GLU A 792 14.542 -10.238 19.663 1.00 51.00 C ATOM 689 OE1 GLU A 792 15.037 -10.677 20.723 1.00 58.95 O ATOM 690 OE2 GLU A 792 14.031 -9.101 19.574 1.00 67.57 O ATOM 691 H GLU A 792 12.675 -12.936 16.950 1.00 0.00 H ATOM 692 N HIS A 793 15.686 -15.294 18.975 1.00 35.65 N ATOM 693 CA HIS A 793 15.827 -16.636 19.527 1.00 38.59 C ATOM 694 C HIS A 793 14.708 -16.942 20.516 1.00 45.81 C ATOM 695 O HIS A 793 14.018 -17.961 20.393 1.00 40.92 O ATOM 696 CB HIS A 793 17.192 -16.785 20.199 1.00 42.87 C ATOM 697 CG HIS A 793 17.501 -18.183 20.633 1.00 33.77 C ATOM 698 ND1 HIS A 793 18.029 -19.127 19.778 1.00 35.34 N ATOM 699 CD2 HIS A 793 17.353 -18.800 21.829 1.00 34.72 C ATOM 700 CE1 HIS A 793 18.194 -20.264 20.429 1.00 46.59 C ATOM 701 NE2 HIS A 793 17.793 -20.092 21.676 1.00 43.82 N ATOM 702 H HIS A 793 16.364 -14.552 19.240 1.00 0.00 H ATOM 703 N HIS A 794 14.508 -16.066 21.504 1.00 43.03 N ATOM 704 CA HIS A 794 13.514 -16.334 22.537 1.00 47.56 C ATOM 705 C HIS A 794 12.108 -16.408 21.957 1.00 35.53 C ATOM 706 O HIS A 794 11.254 -17.125 22.493 1.00 29.00 O ATOM 707 CB HIS A 794 13.589 -15.262 23.626 1.00 50.04 C ATOM 708 CG HIS A 794 12.982 -13.951 23.232 1.00 35.31 C ATOM 709 ND1 HIS A 794 13.680 -12.982 22.544 1.00 38.75 N ATOM 710 CD2 HIS A 794 11.743 -13.445 23.442 1.00 41.51 C ATOM 711 CE1 HIS A 794 12.895 -11.938 22.342 1.00 40.89 C ATOM 712 NE2 HIS A 794 11.715 -12.194 22.877 1.00 40.59 N ATOM 713 H HIS A 794 15.064 -15.188 21.537 1.00 0.00 H ATOM 714 N GLU A 795 11.844 -15.682 20.868 1.00 36.92 N ATOM 715 CA GLU A 795 10.530 -15.754 20.238 1.00 37.90 C ATOM 716 C GLU A 795 10.313 -17.111 19.581 1.00 42.90 C ATOM 717 O GLU A 795 9.191 -17.631 19.572 1.00 33.11 O ATOM 718 CB GLU A 795 10.377 -14.626 19.220 1.00 39.28 C ATOM 719 CG GLU A 795 10.395 -13.236 19.839 1.00 53.58 C ATOM 720 CD GLU A 795 10.006 -12.151 18.856 1.00 47.28 C ATOM 721 OE1 GLU A 795 10.700 -11.994 17.829 1.00 35.10 O ATOM 722 OE2 GLU A 795 8.998 -11.458 19.110 1.00 56.65 O ATOM 723 H GLU A 795 12.578 -15.063 20.467 1.00 0.00 H ATOM 724 N ALA A 796 11.373 -17.698 19.022 1.00 50.46 N ATOM 725 CA ALA A 796 11.286 -19.072 18.545 1.00 43.22 C ATOM 726 C ALA A 796 11.253 -20.055 19.707 1.00 43.34 C ATOM 727 O ALA A 796 10.689 -21.148 19.581 1.00 44.93 O ATOM 728 CB ALA A 796 12.459 -19.381 17.616 1.00 38.76 C ATOM 729 H ALA A 796 12.265 -17.172 18.926 1.00 0.00 H ATOM 730 N VAL A 797 11.852 -19.687 20.842 1.00 49.01 N ATOM 731 CA VAL A 797 11.781 -20.530 22.029 1.00 44.69 C ATOM 732 C VAL A 797 10.359 -20.564 22.572 1.00 40.29 C ATOM 733 O VAL A 797 9.851 -21.623 22.957 1.00 51.27 O ATOM 734 CB VAL A 797 12.776 -20.032 23.092 1.00 42.47 C ATOM 735 CG1 VAL A 797 12.519 -20.722 24.421 1.00 49.85 C ATOM 736 CG2 VAL A 797 14.203 -20.265 22.629 1.00 35.89 C ATOM 737 H VAL A 797 12.375 -18.789 20.880 1.00 0.00 H ATOM 738 N GLU A 798 9.696 -19.407 22.612 1.00 48.06 N ATOM 739 CA GLU A 798 8.348 -19.328 23.161 1.00 47.67 C ATOM 740 C GLU A 798 7.304 -19.859 22.187 1.00 49.16 C ATOM 741 O GLU A 798 6.251 -20.341 22.620 1.00 54.33 O ATOM 742 CB GLU A 798 8.039 -17.882 23.555 1.00 47.96 C ATOM 743 CG GLU A 798 8.771 -17.444 24.822 1.00 53.70 C ATOM 744 CD GLU A 798 9.048 -15.953 24.880 1.00 46.14 C ATOM 745 OE1 GLU A 798 8.488 -15.199 24.057 1.00 38.05 O ATOM 746 OE2 GLU A 798 9.837 -15.537 25.756 1.00 44.83 O ATOM 747 H GLU A 798 10.149 -18.546 22.245 1.00 0.00 H ATOM 748 N ALA A 799 7.575 -19.790 20.881 1.00 47.55 N ATOM 749 CA ALA A 799 6.665 -20.380 19.907 1.00 31.20 C ATOM 750 C ALA A 799 6.602 -21.892 20.062 1.00 49.34 C ATOM 751 O ALA A 799 5.542 -22.497 19.860 1.00 53.44 O ATOM 752 CB ALA A 799 7.106 -20.012 18.490 1.00 29.45 C ATOM 753 H ALA A 799 8.440 -19.313 20.557 1.00 0.00 H ATOM 754 N LEU A 800 7.719 -22.511 20.426 1.00 36.84 N ATOM 755 CA LEU A 800 7.798 -23.954 20.579 1.00 41.45 C ATOM 756 C LEU A 800 7.454 -24.423 21.985 1.00 51.50 C ATOM 757 O LEU A 800 7.260 -25.626 22.188 1.00 41.85 O ATOM 758 CB LEU A 800 9.206 -24.433 20.205 1.00 42.89 C ATOM 759 CG LEU A 800 9.587 -24.214 18.740 1.00 37.27 C ATOM 760 CD1 LEU A 800 11.093 -24.215 18.545 1.00 45.83 C ATOM 761 CD2 LEU A 800 8.948 -25.284 17.867 1.00 50.64 C ATOM 762 H LEU A 800 8.570 -21.941 20.609 1.00 0.00 H ATOM 763 N ARG A 801 7.370 -23.512 22.957 1.00 58.85 N ATOM 764 CA ARG A 801 7.009 -23.908 24.313 1.00 56.33 C ATOM 765 C ARG A 801 5.500 -24.022 24.487 1.00 64.03 C ATOM 766 O ARG A 801 5.034 -24.863 25.264 1.00 56.95 O ATOM 767 CB ARG A 801 7.590 -22.916 25.320 1.00 66.11 C ATOM 768 CG ARG A 801 7.279 -23.257 26.767 1.00 81.75 C ATOM 769 CD ARG A 801 8.179 -22.494 27.720 1.00 78.49 C ATOM 770 NE ARG A 801 7.767 -22.662 29.110 1.00 87.96 N ATOM 771 CZ ARG A 801 7.957 -23.768 29.823 1.00 71.66 C ATOM 772 NH1 ARG A 801 7.548 -23.820 31.082 1.00 59.10 N ATOM 773 NH2 ARG A 801 8.548 -24.823 29.278 1.00 68.69 N ATOM 774 HE ARG A 801 7.292 -21.862 29.575 1.00 0.00 H ATOM 775 HH12 ARG A 801 7.696 -24.684 31.641 1.00 0.00 H ATOM 776 HH11 ARG A 801 7.079 -22.997 31.511 1.00 0.00 H ATOM 777 HH22 ARG A 801 8.694 -25.686 29.840 1.00 0.00 H ATOM 778 HH21 ARG A 801 8.865 -24.788 28.288 1.00 0.00 H ATOM 779 H ARG A 801 7.563 -22.512 22.746 1.00 0.00 H ATOM 780 N GLY A 802 4.727 -23.199 23.781 1.00 57.49 N ATOM 781 CA GLY A 802 3.287 -23.359 23.737 1.00 53.39 C ATOM 782 C GLY A 802 2.878 -24.207 22.550 1.00 49.47 C ATOM 783 O GLY A 802 1.844 -23.967 21.920 1.00 47.94 O ATOM 784 H GLY A 802 5.167 -22.422 23.248 1.00 0.00 H ATOM 785 N ALA A 803 3.693 -25.220 22.252 1.00 58.52 N ATOM 786 CA ALA A 803 3.534 -25.971 21.012 1.00 59.57 C ATOM 787 C ALA A 803 2.315 -26.883 21.054 1.00 68.51 C ATOM 788 O ALA A 803 1.649 -27.082 20.031 1.00 73.96 O ATOM 789 CB ALA A 803 4.799 -26.786 20.741 1.00 67.86 C ATOM 790 H ALA A 803 4.453 -25.478 22.914 1.00 0.00 H ATOM 791 N GLY A 804 2.005 -27.443 22.216 1.00 60.32 N ATOM 792 CA GLY A 804 0.965 -28.445 22.304 1.00 47.87 C ATOM 793 C GLY A 804 1.506 -29.824 22.003 1.00 55.37 C ATOM 794 O GLY A 804 2.703 -30.034 21.780 1.00 60.39 O ATOM 795 H GLY A 804 2.517 -27.158 23.075 1.00 0.00 H ATOM 796 N THR A 805 0.595 -30.796 21.989 1.00 47.72 N ATOM 797 CA THR A 805 0.988 -32.184 21.784 1.00 56.77 C ATOM 798 C THR A 805 1.286 -32.507 20.326 1.00 62.94 C ATOM 799 O THR A 805 1.887 -33.552 20.051 1.00 44.87 O ATOM 800 CB THR A 805 -0.109 -33.117 22.297 1.00 50.89 C ATOM 801 OG1 THR A 805 -1.379 -32.676 21.802 1.00 55.60 O ATOM 802 CG2 THR A 805 -0.133 -33.133 23.819 1.00 58.24 C ATOM 803 HG1 THR A 805 -2.089 -33.280 22.134 1.00 0.00 H ATOM 804 H THR A 805 -0.409 -30.561 22.126 1.00 0.00 H ATOM 805 N ALA A 806 0.879 -31.646 19.394 1.00 57.79 N ATOM 806 CA ALA A 806 1.146 -31.839 17.972 1.00 50.13 C ATOM 807 C ALA A 806 1.784 -30.575 17.420 1.00 51.21 C ATOM 808 O ALA A 806 1.221 -29.483 17.550 1.00 51.19 O ATOM 809 CB ALA A 806 -0.132 -32.170 17.199 1.00 44.65 C ATOM 810 H ALA A 806 0.349 -30.802 19.692 1.00 0.00 H ATOM 811 N VAL A 807 2.948 -30.728 16.796 1.00 47.04 N ATOM 812 CA VAL A 807 3.727 -29.607 16.291 1.00 35.75 C ATOM 813 C VAL A 807 4.000 -29.850 14.814 1.00 45.49 C ATOM 814 O VAL A 807 4.664 -30.830 14.456 1.00 53.45 O ATOM 815 CB VAL A 807 5.046 -29.433 17.062 1.00 37.91 C ATOM 816 CG1 VAL A 807 5.634 -28.056 16.808 1.00 52.97 C ATOM 817 CG2 VAL A 807 4.824 -29.677 18.551 1.00 46.07 C ATOM 818 H VAL A 807 3.318 -31.691 16.663 1.00 0.00 H ATOM 819 N GLN A 808 3.490 -28.965 13.964 1.00 40.02 N ATOM 820 CA GLN A 808 3.723 -29.028 12.526 1.00 40.92 C ATOM 821 C GLN A 808 4.665 -27.892 12.152 1.00 37.90 C ATOM 822 O GLN A 808 4.257 -26.726 12.111 1.00 39.93 O ATOM 823 CB GLN A 808 2.413 -28.934 11.750 1.00 42.94 C ATOM 824 CG GLN A 808 2.219 -30.063 10.758 1.00 40.59 C ATOM 825 CD GLN A 808 1.019 -29.851 9.860 1.00 48.25 C ATOM 826 OE1 GLN A 808 0.302 -28.857 9.982 1.00 34.98 O ATOM 827 NE2 GLN A 808 0.794 -30.789 8.947 1.00 39.65 N ATOM 828 HE22 GLN A 808 1.426 -31.612 8.880 1.00 0.00 H ATOM 829 HE21 GLN A 808 -0.015 -30.701 8.299 1.00 0.00 H ATOM 830 H GLN A 808 2.900 -28.195 14.340 1.00 0.00 H ATOM 831 N MET A 809 5.920 -28.231 11.882 1.00 36.58 N ATOM 832 CA MET A 809 6.929 -27.250 11.519 1.00 39.19 C ATOM 833 C MET A 809 7.197 -27.294 10.020 1.00 37.52 C ATOM 834 O MET A 809 7.070 -28.340 9.380 1.00 31.99 O ATOM 835 CB MET A 809 8.237 -27.508 12.271 1.00 40.54 C ATOM 836 CG MET A 809 8.072 -27.809 13.751 1.00 45.76 C ATOM 837 SD MET A 809 9.656 -27.975 14.605 1.00 53.84 S ATOM 838 CE MET A 809 10.539 -29.083 13.507 1.00 34.83 C ATOM 839 H MET A 809 6.191 -29.234 11.932 1.00 0.00 H ATOM 840 N ARG A 810 7.568 -26.144 9.466 1.00 42.91 N ATOM 841 CA ARG A 810 8.089 -26.059 8.109 1.00 32.54 C ATOM 842 C ARG A 810 9.588 -25.810 8.190 1.00 37.27 C ATOM 843 O ARG A 810 10.027 -24.874 8.868 1.00 36.72 O ATOM 844 CB ARG A 810 7.413 -24.947 7.309 1.00 28.78 C ATOM 845 CG ARG A 810 7.528 -25.163 5.813 1.00 19.21 C ATOM 846 CD ARG A 810 7.173 -23.925 5.019 1.00 30.55 C ATOM 847 NE ARG A 810 7.353 -24.154 3.588 1.00 33.92 N ATOM 848 CZ ARG A 810 6.482 -24.802 2.819 1.00 33.82 C ATOM 849 NH1 ARG A 810 5.365 -25.290 3.339 1.00 50.03 N ATOM 850 NH2 ARG A 810 6.730 -24.963 1.526 1.00 43.13 N ATOM 851 HE ARG A 810 8.218 -23.787 3.141 1.00 0.00 H ATOM 852 HH12 ARG A 810 4.687 -25.796 2.734 1.00 0.00 H ATOM 853 HH11 ARG A 810 5.166 -25.167 4.352 1.00 0.00 H ATOM 854 HH22 ARG A 810 6.049 -25.470 0.925 1.00 0.00 H ATOM 855 HH21 ARG A 810 7.605 -24.583 1.113 1.00 0.00 H ATOM 856 H ARG A 810 7.483 -25.270 10.024 1.00 0.00 H ATOM 857 N VAL A 811 10.368 -26.643 7.502 1.00 35.49 N ATOM 858 CA VAL A 811 11.819 -26.633 7.627 1.00 30.40 C ATOM 859 C VAL A 811 12.451 -26.510 6.245 1.00 34.02 C ATOM 860 O VAL A 811 11.790 -26.637 5.214 1.00 27.73 O ATOM 861 CB VAL A 811 12.349 -27.892 8.349 1.00 39.02 C ATOM 862 CG1 VAL A 811 11.732 -28.009 9.736 1.00 44.02 C ATOM 863 CG2 VAL A 811 12.075 -29.145 7.526 1.00 27.51 C ATOM 864 H VAL A 811 9.925 -27.324 6.853 1.00 0.00 H ATOM 865 N TRP A 812 13.759 -26.261 6.249 1.00 39.59 N ATOM 866 CA TRP A 812 14.561 -26.087 5.044 1.00 40.58 C ATOM 867 C TRP A 812 15.898 -26.776 5.279 1.00 35.01 C ATOM 868 O TRP A 812 16.392 -26.815 6.409 1.00 30.83 O ATOM 869 CB TRP A 812 14.734 -24.595 4.725 1.00 31.70 C ATOM 870 CG TRP A 812 15.570 -24.304 3.524 1.00 37.49 C ATOM 871 CD1 TRP A 812 15.133 -24.114 2.246 1.00 40.84 C ATOM 872 CD2 TRP A 812 16.992 -24.153 3.490 1.00 42.12 C ATOM 873 NE1 TRP A 812 16.198 -23.861 1.416 1.00 47.23 N ATOM 874 CE2 TRP A 812 17.351 -23.879 2.156 1.00 49.93 C ATOM 875 CE3 TRP A 812 17.999 -24.227 4.458 1.00 43.56 C ATOM 876 CZ2 TRP A 812 18.673 -23.680 1.765 1.00 54.51 C ATOM 877 CZ3 TRP A 812 19.311 -24.028 4.068 1.00 49.28 C ATOM 878 CH2 TRP A 812 19.636 -23.758 2.734 1.00 60.25 C ATOM 879 HE1 TRP A 812 16.139 -23.685 0.393 1.00 0.00 H ATOM 880 H TRP A 812 14.238 -26.186 7.169 1.00 0.00 H ATOM 881 N ARG A 813 16.475 -27.338 4.213 1.00 35.45 N ATOM 882 CA ARG A 813 17.631 -28.212 4.359 1.00 35.17 C ATOM 883 C ARG A 813 18.650 -27.997 3.245 1.00 40.38 C ATOM 884 O ARG A 813 18.367 -27.384 2.213 1.00 45.02 O ATOM 885 CB ARG A 813 17.228 -29.694 4.346 1.00 28.09 C ATOM 886 CG ARG A 813 16.351 -30.155 5.482 1.00 32.54 C ATOM 887 CD ARG A 813 16.489 -31.660 5.617 1.00 36.94 C ATOM 888 NE ARG A 813 15.351 -32.289 6.276 1.00 46.61 N ATOM 889 CZ ARG A 813 15.040 -33.576 6.148 1.00 52.40 C ATOM 890 NH1 ARG A 813 15.776 -34.365 5.377 1.00 58.97 N ATOM 891 NH2 ARG A 813 13.988 -34.073 6.782 1.00 46.85 N ATOM 892 HE ARG A 813 14.747 -31.697 6.881 1.00 0.00 H ATOM 893 HH12 ARG A 813 15.531 -35.371 5.278 1.00 0.00 H ATOM 894 HH11 ARG A 813 16.598 -33.978 4.871 1.00 0.00 H ATOM 895 HH22 ARG A 813 13.747 -35.080 6.680 1.00 0.00 H ATOM 896 HH21 ARG A 813 13.403 -33.457 7.382 1.00 0.00 H ATOM 897 H ARG A 813 16.093 -27.149 3.264 1.00 0.00 H ATOM 898 N GLU A 814 19.851 -28.530 3.478 1.00 36.66 N ATOM 899 CA GLU A 814 20.899 -28.695 2.476 1.00 49.04 C ATOM 900 C GLU A 814 21.457 -30.109 2.620 1.00 51.90 C ATOM 901 O GLU A 814 21.168 -30.813 3.592 1.00 51.54 O ATOM 902 CB GLU A 814 22.000 -27.634 2.627 1.00 73.27 C ATOM 903 CG GLU A 814 23.079 -27.687 1.548 1.00 75.02 C ATOM 904 CD GLU A 814 23.831 -26.379 1.383 1.00 76.66 C ATOM 905 OE1 GLU A 814 23.304 -25.321 1.789 1.00 84.52 O ATOM 906 OE2 GLU A 814 24.955 -26.412 0.840 1.00 80.99 O ATOM 907 H GLU A 814 20.055 -28.852 4.446 1.00 0.00 H ATOM 908 N ARG A 815 22.274 -30.524 1.655 1.00 62.32 N ATOM 909 CA ARG A 815 22.592 -31.932 1.474 1.00 69.13 C ATOM 910 C ARG A 815 23.955 -32.293 2.081 1.00 75.52 C ATOM 911 O ARG A 815 24.501 -31.551 2.906 1.00 61.46 O ATOM 912 CB ARG A 815 22.539 -32.263 -0.025 1.00 58.49 C ATOM 913 CG ARG A 815 21.186 -32.054 -0.674 1.00 58.94 C ATOM 914 CD ARG A 815 20.186 -33.084 -0.190 1.00 67.08 C ATOM 915 NE ARG A 815 19.051 -32.469 0.489 1.00 42.95 N ATOM 916 CZ ARG A 815 18.139 -33.146 1.177 1.00 48.74 C ATOM 917 NH1 ARG A 815 18.230 -34.465 1.285 1.00 45.82 N ATOM 918 NH2 ARG A 815 17.140 -32.503 1.763 1.00 53.00 N ATOM 919 HE ARG A 815 18.950 -31.436 0.431 1.00 0.00 H ATOM 920 HH12 ARG A 815 17.515 -34.993 1.824 1.00 0.00 H ATOM 921 HH11 ARG A 815 19.017 -34.971 0.830 1.00 0.00 H ATOM 922 HH22 ARG A 815 16.426 -33.033 2.302 1.00 0.00 H ATOM 923 HH21 ARG A 815 17.070 -31.468 1.684 1.00 0.00 H ATOM 924 H ARG A 815 22.696 -29.823 1.013 1.00 0.00 H ATOM 925 N MET A 816 24.497 -33.448 1.683 1.00 83.99 N ATOM 926 CA MET A 816 25.820 -33.931 2.091 1.00 71.58 C ATOM 927 C MET A 816 25.847 -34.344 3.559 1.00 65.18 C ATOM 928 O MET A 816 25.974 -35.528 3.877 1.00 58.33 O ATOM 929 CB MET A 816 26.891 -32.866 1.831 1.00 62.14 C ATOM 930 CG MET A 816 26.975 -32.423 0.380 1.00 70.53 C ATOM 931 SD MET A 816 27.911 -30.898 0.156 1.00 67.20 S ATOM 932 CE MET A 816 27.003 -30.145 -1.194 1.00 57.43 C ATOM 933 H MET A 816 23.941 -34.046 1.039 1.00 0.00 H TER 934 MET A 816 HETATM 935 O HOH 1 -0.510 -29.257 18.887 1.00 48.97 O HETATM 936 O HOH 2 18.256 -13.286 19.447 1.00 43.61 O HETATM 937 O HOH 3 0.000 -26.800 11.355 1.00 30.52 O HETATM 938 O HOH 4 3.369 -35.639 26.685 1.00 45.13 O HETATM 939 O HOH 5 16.928 -20.867 -1.646 1.00 45.32 O HETATM 940 O HOH 6 14.482 -36.233 18.388 1.00 40.24 O HETATM 941 O HOH 7 3.238 -21.900 18.758 1.00 27.08 O HETATM 942 O HOH 8 12.987 -36.691 6.309 1.00 39.26 O HETATM 943 O HOH 9 21.131 -37.160 8.177 1.00 37.91 O HETATM 944 O HOH 10 5.634 -36.092 10.304 1.00 40.67 O HETATM 945 O HOH 11 24.598 -32.569 -10.265 1.00 37.58 O HETATM 946 O HOH 12 21.473 -18.508 12.906 1.00 33.68 O HETATM 947 O HOH 13 2.423 -36.935 25.173 1.00 35.88 O HETATM 948 O HOH 14 6.614 -37.636 16.258 1.00 32.72 O HETATM 949 O HOH 15 14.778 -36.231 2.061 1.00 26.78 O HETATM 950 O HOH 16 32.796 -43.778 -19.406 1.00 49.25 O HETATM 951 O HOH 17 26.800 -26.800 3.784 1.00 29.00 O HETATM 952 O HOH 18 19.789 -15.652 4.415 1.00 50.59 O HETATM 953 O HOH 19 17.304 -47.822 22.928 1.00 56.33 O HETATM 954 O HOH 20 16.294 -15.028 7.660 1.00 33.52 O HETATM 955 O HOH 21 32.684 -43.038 -22.023 1.00 35.36 O HETATM 956 O HOH 22 18.868 -13.804 6.684 1.00 30.58 O HETATM 957 O HOH 23 19.992 -34.172 5.566 1.00 45.86 O HETATM 958 O HOH 24 7.194 -14.309 15.784 1.00 41.16 O HETATM 959 O HOH 25 4.822 -13.047 11.490 1.00 52.87 O HETATM 960 O HOH 26 1.871 -46.291 18.996 1.00 45.92 O HETATM 961 O HOH 27 4.117 -12.203 13.256 1.00 49.33 O HETATM 962 O HOH 28 19.385 -44.578 7.799 1.00 42.34 O HETATM 963 O HOH 29 25.511 -24.190 18.909 1.00 35.33 O HETATM 964 N PRO A 30 30.687 -13.341 22.684 1.00 0.25 N HETATM 965 CA PRO A 30 29.556 -12.887 21.868 1.00 0.07 C HETATM 966 C PRO A 30 28.364 -13.836 21.889 1.00 0.23 C HETATM 967 O PRO A 30 28.407 -14.865 22.559 1.00 -0.39 O HETATM 968 N PRO A 30 27.323 -13.488 21.137 1.00 -0.26 N HETATM 969 CA PRO A 30 25.994 -14.068 21.318 1.00 0.14 C HETATM 970 C PRO A 30 25.899 -15.408 20.599 1.00 0.21 C HETATM 971 O PRO A 30 25.722 -15.467 19.380 1.00 -0.39 O HETATM 972 N PRO A 30 26.010 -16.495 21.364 1.00 -0.26 N HETATM 973 CA PRO A 30 25.733 -17.846 20.880 1.00 0.16 C HETATM 974 C PRO A 30 24.597 -18.417 21.720 1.00 0.21 C HETATM 975 O PRO A 30 24.769 -18.657 22.920 1.00 -0.39 O HETATM 976 N PRO A 30 23.448 -18.644 21.089 1.00 -0.26 N HETATM 977 CA PRO A 30 22.245 -19.094 21.772 1.00 0.15 C HETATM 978 C PRO A 30 21.984 -20.567 21.487 1.00 0.21 C HETATM 979 O PRO A 30 22.288 -21.073 20.403 1.00 -0.39 O HETATM 980 N PRO A 30 21.398 -21.247 22.470 1.00 -0.26 N HETATM 981 CA PRO A 30 21.061 -22.658 22.325 1.00 0.13 C HETATM 982 C PRO A 30 20.044 -23.013 23.397 1.00 0.20 C HETATM 983 O PRO A 30 20.225 -22.656 24.565 1.00 -0.39 O HETATM 984 N PRO A 30 18.983 -23.706 22.999 1.00 -0.26 N HETATM 985 CA PRO A 30 17.904 -24.035 23.919 1.00 0.16 C HETATM 986 C PRO A 30 17.316 -25.412 23.637 1.00 0.21 C HETATM 987 O PRO A 30 16.816 -25.666 22.544 1.00 -0.39 O HETATM 988 N PRO A 30 17.380 -26.301 24.623 1.00 -0.26 N HETATM 989 CA PRO A 30 16.720 -27.598 24.515 1.00 0.16 C HETATM 990 CB PRO A 30 17.056 -28.491 25.705 1.00 0.12 C HETATM 991 OG PRO A 30 18.217 -29.258 25.449 1.00 -0.27 O HETATM 992 P PRO A 30 18.315 -30.457 26.518 1.00 0.20 P HETATM 993 O1P PRO A 30 18.267 -31.867 25.744 1.00 -0.55 O HETATM 994 O2P PRO A 30 17.089 -30.383 27.560 1.00 -0.55 O HETATM 995 O3P PRO A 30 19.699 -30.327 27.329 1.00 -0.55 O HETATM 996 H45 PRO A 30 16.211 -29.169 25.896 1.00 0.07 H HETATM 997 H46 PRO A 30 17.228 -27.861 26.590 1.00 0.07 H HETATM 998 C PRO A 30 15.215 -27.392 24.427 1.00 0.21 C HETATM 999 O PRO A 30 14.701 -26.379 24.892 1.00 -0.39 O HETATM 1000 N PRO A 30 14.512 -28.350 23.836 1.00 -0.27 N HETATM 1001 CA PRO A 30 13.063 -28.251 23.693 1.00 0.09 C HETATM 1002 C PRO A 30 12.408 -29.624 23.756 1.00 0.06 C HETATM 1003 O PRO A 30 13.058 -30.652 23.567 1.00 -0.57 O HETATM 1004 OXT PRO A 30 11.206 -29.737 23.996 1.00 -0.57 O HETATM 1005 CB PRO A 30 12.703 -27.560 22.376 1.00 -0.02 C HETATM 1006 CG PRO A 30 12.981 -26.058 22.302 1.00 -0.04 C HETATM 1007 CD1 PRO A 30 13.112 -25.609 20.858 1.00 -0.06 C HETATM 1008 H52 PRO A 30 13.311 -24.528 20.827 1.00 0.02 H HETATM 1009 H53 PRO A 30 12.177 -25.825 20.321 1.00 0.02 H HETATM 1010 H54 PRO A 30 13.943 -26.149 20.380 1.00 0.02 H HETATM 1011 CD2 PRO A 30 11.884 -25.273 23.002 1.00 -0.06 C HETATM 1012 H55 PRO A 30 11.802 -25.610 24.046 1.00 0.02 H HETATM 1013 H56 PRO A 30 10.927 -25.440 22.486 1.00 0.02 H HETATM 1014 H57 PRO A 30 12.130 -24.201 22.981 1.00 0.02 H HETATM 1015 H51 PRO A 30 13.933 -25.857 22.816 1.00 0.03 H HETATM 1016 H49 PRO A 30 11.627 -27.711 22.201 1.00 0.03 H HETATM 1017 H50 PRO A 30 13.277 -28.047 21.574 1.00 0.03 H HETATM 1018 H48 PRO A 30 12.675 -27.643 24.524 1.00 0.07 H HETATM 1019 H47 PRO A 30 14.985 -29.157 23.481 1.00 0.19 H HETATM 1020 H44 PRO A 30 17.067 -28.094 23.596 1.00 0.08 H HETATM 1021 H43 PRO A 30 17.890 -26.077 25.454 1.00 0.19 H HETATM 1022 CB PRO A 30 16.778 -22.986 23.835 1.00 0.09 C HETATM 1023 OG1 PRO A 30 17.331 -21.676 24.010 1.00 -0.39 O HETATM 1024 H39 PRO A 30 17.971 -21.510 23.328 1.00 0.21 H HETATM 1025 CG2 PRO A 30 15.722 -23.239 24.896 1.00 -0.03 C HETATM 1026 H40 PRO A 30 14.931 -22.479 24.815 1.00 0.03 H HETATM 1027 H41 PRO A 30 16.183 -23.183 25.893 1.00 0.03 H HETATM 1028 H42 PRO A 30 15.286 -24.238 24.749 1.00 0.03 H HETATM 1029 H38 PRO A 30 16.307 -23.049 22.843 1.00 0.06 H HETATM 1030 H37 PRO A 30 18.313 -24.033 24.940 1.00 0.08 H HETATM 1031 H36 PRO A 30 18.924 -24.008 22.047 1.00 0.19 H HETATM 1032 CB PRO A 30 22.311 -23.535 22.444 1.00 -0.00 C HETATM 1033 CG PRO A 30 22.191 -24.897 21.778 1.00 0.00 C HETATM 1034 CD PRO A 30 23.545 -25.517 21.487 1.00 0.04 C HETATM 1035 OE1 PRO A 30 24.339 -24.893 20.751 1.00 -0.57 O HETATM 1036 OE2 PRO A 30 23.820 -26.621 22.002 1.00 -0.57 O HETATM 1037 H34 PRO A 30 21.644 -24.781 20.831 1.00 0.04 H HETATM 1038 H35 PRO A 30 21.630 -25.569 22.445 1.00 0.04 H HETATM 1039 H32 PRO A 30 22.520 -23.692 23.512 1.00 0.03 H HETATM 1040 H33 PRO A 30 23.152 -22.999 21.981 1.00 0.03 H HETATM 1041 H31 PRO A 30 20.612 -22.821 21.334 1.00 0.08 H HETATM 1042 H30 PRO A 30 21.184 -20.779 23.328 1.00 0.19 H HETATM 1043 CB PRO A 30 21.027 -18.272 21.338 1.00 0.08 C HETATM 1044 CG PRO A 30 20.856 -17.007 22.151 1.00 0.18 C HETATM 1045 OD1 PRO A 30 20.894 -17.035 23.380 1.00 -0.40 O HETATM 1046 ND2 PRO A 30 20.664 -15.886 21.467 1.00 -0.30 N HETATM 1047 H28 PRO A 30 20.545 -15.019 21.951 1.00 0.18 H HETATM 1048 H29 PRO A 30 20.639 -15.908 20.468 1.00 0.18 H HETATM 1049 H26 PRO A 30 20.125 -18.890 21.456 1.00 0.06 H HETATM 1050 H27 PRO A 30 21.147 -17.997 20.280 1.00 0.06 H HETATM 1051 H25 PRO A 30 22.391 -18.964 22.855 1.00 0.08 H HETATM 1052 H24 PRO A 30 23.410 -18.499 20.100 1.00 0.19 H HETATM 1053 CB PRO A 30 26.965 -18.742 20.964 1.00 0.09 C HETATM 1054 OG1 PRO A 30 27.928 -18.335 19.986 1.00 -0.39 O HETATM 1055 H20 PRO A 30 28.692 -18.896 20.043 1.00 0.21 H HETATM 1056 CG2 PRO A 30 26.578 -20.197 20.721 1.00 -0.03 C HETATM 1057 H21 PRO A 30 27.475 -20.831 20.785 1.00 0.03 H HETATM 1058 H22 PRO A 30 26.130 -20.295 19.721 1.00 0.03 H HETATM 1059 H23 PRO A 30 25.850 -20.515 21.482 1.00 0.03 H HETATM 1060 H19 PRO A 30 27.407 -18.650 21.967 1.00 0.06 H HETATM 1061 H18 PRO A 30 25.414 -17.791 19.829 1.00 0.08 H HETATM 1062 H17 PRO A 30 26.297 -16.380 22.315 1.00 0.19 H HETATM 1063 CB PRO A 30 24.931 -13.095 20.812 1.00 0.01 C HETATM 1064 CG PRO A 30 25.262 -11.655 21.061 1.00 -0.00 C HETATM 1065 ND1 PRO A 30 25.207 -10.695 20.072 1.00 -0.33 N HETATM 1066 CE1 PRO A 30 25.552 -9.524 20.577 1.00 0.09 C HETATM 1067 NE2 PRO A 30 25.829 -9.688 21.858 1.00 -0.28 N HETATM 1068 CD2 PRO A 30 25.657 -11.011 22.185 1.00 0.03 C HETATM 1069 H14 PRO A 30 25.810 -11.459 23.166 1.00 0.07 H HETATM 1070 H16 PRO A 30 26.126 -8.945 22.506 1.00 0.24 H HETATM 1071 H15 PRO A 30 25.600 -8.584 20.030 1.00 0.12 H HETATM 1072 H12 PRO A 30 23.982 -13.325 21.317 1.00 0.04 H HETATM 1073 H13 PRO A 30 24.814 -13.242 19.728 1.00 0.04 H HETATM 1074 H11 PRO A 30 25.828 -14.238 22.392 1.00 0.08 H HETATM 1075 H10 PRO A 30 27.455 -12.803 20.420 1.00 0.19 H HETATM 1076 CB PRO A 30 30.167 -12.794 20.471 1.00 0.01 C HETATM 1077 CG PRO A 30 31.582 -12.362 20.742 1.00 -0.01 C HETATM 1078 CD PRO A 30 31.982 -13.005 22.060 1.00 -0.03 C HETATM 1079 H8 PRO A 30 32.584 -13.910 21.890 1.00 0.08 H HETATM 1080 H9 PRO A 30 32.549 -12.300 22.686 1.00 0.08 H HETATM 1081 H6 PRO A 30 31.637 -11.266 20.821 1.00 0.03 H HETATM 1082 H7 PRO A 30 32.246 -12.705 19.935 1.00 0.03 H HETATM 1083 H4 PRO A 30 29.638 -12.049 19.858 1.00 0.03 H HETATM 1084 H5 PRO A 30 30.143 -13.770 19.964 1.00 0.03 H HETATM 1085 H3 PRO A 30 29.218 -11.897 22.209 1.00 0.11 H HETATM 1086 H1 PRO A 30 30.628 -14.341 22.796 1.00 0.20 H HETATM 1087 H2 PRO A 30 30.636 -12.898 23.588 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 964 965 1078 1086 1087 CONECT 965 964 966 1076 1085 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 1043 1051 CONECT 978 977 979 980 CONECT 979 978 CONECT 980 978 981 1042 CONECT 981 980 982 1032 1041 CONECT 982 981 983 984 CONECT 983 982 CONECT 984 982 985 1031 CONECT 985 984 986 1022 1030 CONECT 986 985 987 988 CONECT 987 986 CONECT 988 986 989 1021 CONECT 989 988 990 998 1020 CONECT 990 989 991 996 997 CONECT 991 990 992 CONECT 992 991 993 994 995 CONECT 993 992 CONECT 994 992 CONECT 995 992 CONECT 996 990 CONECT 997 990 CONECT 998 989 999 1000 CONECT 999 998 CONECT 1000 998 1001 1019 CONECT 1001 1000 1002 1005 1018 CONECT 1002 1001 1003 1004 CONECT 1003 1002 CONECT 1004 1002 CONECT 1005 1001 1006 1016 1017 CONECT 1006 1005 1007 1011 1015 CONECT 1007 1006 1008 1009 1010 CONECT 1008 1007 CONECT 1009 1007 CONECT 1010 1007 CONECT 1011 1006 1012 1013 1014 CONECT 1012 1011 CONECT 1013 1011 CONECT 1014 1011 CONECT 1015 1006 CONECT 1016 1005 CONECT 1017 1005 CONECT 1018 1001 CONECT 1019 1000 CONECT 1020 989 CONECT 1021 988 CONECT 1022 985 1023 1025 1029 CONECT 1023 1022 1024 CONECT 1024 1023 CONECT 1025 1022 1026 1027 1028 CONECT 1026 1025 CONECT 1027 1025 CONECT 1028 1025 CONECT 1029 1022 CONECT 1030 985 CONECT 1031 984 CONECT 1032 981 1033 1039 1040 CONECT 1033 1032 1034 1037 1038 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 CONECT 1037 1033 CONECT 1038 1033 CONECT 1039 1032 CONECT 1040 1032 CONECT 1041 981 CONECT 1042 980 CONECT 1043 977 1044 1049 1050 CONECT 1044 1043 1045 1046 CONECT 1045 1044 CONECT 1046 1044 1047 1048 CONECT 1047 1046 CONECT 1048 1046 CONECT 1049 1043 CONECT 1050 1043 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 1068 CONECT 1065 1064 1066 CONECT 1066 1065 1067 1071 CONECT 1067 1066 1068 1070 CONECT 1068 1064 1067 1069 CONECT 1069 1068 CONECT 1070 1067 CONECT 1071 1066 CONECT 1072 1063 CONECT 1073 1063 CONECT 1074 969 CONECT 1075 968 CONECT 1076 965 1077 1083 1084 CONECT 1077 1076 1078 1081 1082 CONECT 1078 964 1077 1079 1080 CONECT 1079 1078 CONECT 1080 1078 CONECT 1081 1077 CONECT 1082 1077 CONECT 1083 1076 CONECT 1084 1076 CONECT 1085 965 CONECT 1086 964 CONECT 1087 964 MASTER 0 0 0 0 0 0 0 0 1086 1 128 8 END
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PDBbind
122aa, >5VWK_1|Chains... *
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PDBbind
118aa, >6MTV_1|Chains... at 99%
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94aa, >6MS1_1|Chains... at 100%
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PDB Code
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Ligand Name
1fo0
RCSB PDB
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8-mer
1fzj
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8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
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1g7q
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RCSB PDB
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8-mer
1lek
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8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
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PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
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PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
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3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
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3zvy
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PDBbind
8-mer
3zyr
RCSB PDB
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4aa1
RCSB PDB
PDBbind
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4aph
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PDBbind
8-mer
4apr
RCSB PDB
PDBbind
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4dv9
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8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
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4lkm
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PDBbind
8-mer
4mji
RCSB PDB
PDBbind
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4nxq
RCSB PDB
PDBbind
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4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
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4rxh
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PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
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4ysi
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PDBbind
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5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
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PDBbind
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5em9
RCSB PDB
PDBbind
8-mer
5ema
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PDBbind
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5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
6mtu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PDZ1
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2.14(Å)
Affinity (Kd/Ki/IC50)
Kd=6083nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Febs J. Vol. 286: pp. 4910-4925
Ligand Properties
Formula
C
3
7
H
6
2
N
1
1
O
1
8
P
Molecular Weight
979.925
Exact Mass
979.401
No. of atoms
129
No. of bonds
130
Polar Surface Area
490.65
LOGP Value
-6.30 (
Computed with XLOGP3
)
-2.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 2
Canonical SMILES
CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]1[NH2+]CCC1)Cc1nc[nH]c1)CC(=O)N)CCC(=O)O)COP(O)(O)O)C
InChI String
InChI=1S/C37H62N11O18P/c1-16(2)10-24(37(61)62)45-34(58)25(14-66-67(63,64)65)46-36(60)29(18(4)50)47-31(55)21(7-8-27(52)53)42-32(56)23(12-26(38)51)44-35(59)28(17(3)49)48-33(57)22(11-19-13-39-15-41-19)43-30(54)20-6-5-9-40-20/h13,15-18,20-25,28-29,40,49-50,63-65,67H,5-12,14H2,1-4H3,(H2,38,51)(H,39,41)(H,42,56)(H,43,54)(H,44,59)(H,45,58)(H,46,60)(H,47,55)(H,48,57)(H,52,53)(H,61,62)/p+1/t17-,18-,20+,21+,22+,23+,24+,25+,28+,29+/m1/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):
P23508
Q14160
Entrez Gene ID
NCBI Entrez Gene ID:
4163
23513
ASD
Information of known allosteric effects of PDB entries
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