Browse entries in the PDBbind-CN Database
HEADER 6J3O_COMPLEX COMPND 6J3O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 ASP GLN LEU TYR SER THR LEU LYS SER ILE LEU GLN GLN SEQRES 2 A 106 VAL LYS SER HIS GLN SER ALA TRP PRO PHE MET GLU PRO SEQRES 3 A 106 VAL LYS ARG THR GLU ALA PRO GLY TYR TYR GLU VAL ILE SEQRES 4 A 106 ARG PHE PRO MET ASP LEU LYS THR MET SER GLU ARG LEU SEQRES 5 A 106 LYS ASN ARG TYR TYR VAL SER LYS LYS LEU PHE MET ALA SEQRES 6 A 106 ASP LEU GLN ARG VAL PHE THR ASN CYS LYS GLU TYR ASN SEQRES 7 A 106 PRO PRO GLU SER GLU TYR TYR LYS CYS ALA ASN ILE LEU SEQRES 8 A 106 GLU LYS PHE PHE PHE SER LYS ILE LYS GLU ALA GLY LEU SEQRES 9 A 106 ILE ASP HET B A 4L 40 ATOM 1 N ASP A 726 31.121 14.926 -54.946 1.00 72.79 N ATOM 2 CA ASP A 726 31.867 15.478 -53.821 1.00 85.09 C ATOM 3 C ASP A 726 32.265 14.361 -52.862 1.00 76.88 C ATOM 4 O ASP A 726 31.474 13.459 -52.586 1.00 76.56 O ATOM 5 CB ASP A 726 31.035 16.538 -53.097 1.00 84.57 C ATOM 6 CG ASP A 726 31.863 17.375 -52.140 1.00 91.70 C ATOM 7 OD1 ASP A 726 32.435 16.803 -51.189 1.00 89.38 O ATOM 8 OD2 ASP A 726 31.951 18.604 -52.349 1.00 81.99 O ATOM 9 HN3 ASP A 726 30.264 14.454 -54.594 1.00 0.00 H ATOM 10 HN2 ASP A 726 31.715 14.237 -55.450 1.00 0.00 H ATOM 11 HN1 ASP A 726 30.854 15.694 -55.594 1.00 0.00 H ATOM 12 N GLN A 727 33.499 14.420 -52.356 1.00 64.11 N ATOM 13 CA GLN A 727 33.972 13.371 -51.459 1.00 63.62 C ATOM 14 C GLN A 727 33.192 13.366 -50.150 1.00 79.19 C ATOM 15 O GLN A 727 32.869 12.297 -49.620 1.00 69.96 O ATOM 16 CB GLN A 727 35.468 13.539 -51.191 1.00 65.34 C ATOM 17 CG GLN A 727 35.974 12.689 -50.035 1.00 83.63 C ATOM 18 CD GLN A 727 37.467 12.435 -50.097 1.00113.17 C ATOM 19 OE1 GLN A 727 38.035 12.256 -51.175 1.00113.55 O ATOM 20 NE2 GLN A 727 38.112 12.414 -48.936 1.00113.22 N ATOM 21 HE22 GLN A 727 37.592 12.570 -48.049 1.00 0.00 H ATOM 22 HE21 GLN A 727 39.137 12.241 -48.914 1.00 0.00 H ATOM 23 H GLN A 727 34.124 15.214 -52.601 1.00 0.00 H ATOM 24 N LEU A 728 32.884 14.547 -49.608 1.00 68.46 N ATOM 25 CA LEU A 728 32.092 14.607 -48.384 1.00 69.00 C ATOM 26 C LEU A 728 30.738 13.939 -48.586 1.00 64.77 C ATOM 27 O LEU A 728 30.294 13.140 -47.754 1.00 58.69 O ATOM 28 CB LEU A 728 31.914 16.059 -47.935 1.00 62.49 C ATOM 29 CG LEU A 728 31.069 16.239 -46.669 1.00 71.88 C ATOM 30 CD1 LEU A 728 31.710 15.511 -45.494 1.00 52.98 C ATOM 31 CD2 LEU A 728 30.862 17.709 -46.338 1.00 59.78 C ATOM 32 H LEU A 728 33.209 15.426 -50.059 1.00 0.00 H ATOM 33 N TYR A 729 30.066 14.258 -49.695 1.00 57.75 N ATOM 34 CA TYR A 729 28.788 13.626 -50.001 1.00 54.17 C ATOM 35 C TYR A 729 28.928 12.110 -50.046 1.00 68.09 C ATOM 36 O TYR A 729 28.120 11.380 -49.460 1.00 71.54 O ATOM 37 CB TYR A 729 28.251 14.160 -51.332 1.00 64.50 C ATOM 38 CG TYR A 729 26.953 13.520 -51.778 1.00 70.65 C ATOM 39 CD1 TYR A 729 26.951 12.311 -52.463 1.00 58.09 C ATOM 40 CD2 TYR A 729 25.731 14.127 -51.522 1.00 73.33 C ATOM 41 CE1 TYR A 729 25.769 11.721 -52.871 1.00 65.36 C ATOM 42 CE2 TYR A 729 24.543 13.545 -51.929 1.00 66.37 C ATOM 43 CZ TYR A 729 24.569 12.343 -52.604 1.00 68.60 C ATOM 44 OH TYR A 729 23.392 11.759 -53.011 1.00 73.45 O ATOM 45 HH TYR A 729 23.591 10.908 -53.477 1.00 0.00 H ATOM 46 H TYR A 729 30.459 14.966 -50.348 1.00 0.00 H ATOM 47 N SER A 730 29.960 11.617 -50.737 1.00 63.58 N ATOM 48 CA SER A 730 30.134 10.176 -50.885 1.00 71.79 C ATOM 49 C SER A 730 30.311 9.498 -49.532 1.00 47.94 C ATOM 50 O SER A 730 29.758 8.418 -49.293 1.00 60.58 O ATOM 51 CB SER A 730 31.334 9.886 -51.787 1.00 72.18 C ATOM 52 OG SER A 730 31.221 10.568 -53.023 1.00 82.02 O ATOM 53 HG SER A 730 31.177 11.543 -52.858 1.00 0.00 H ATOM 54 H SER A 730 30.645 12.266 -51.173 1.00 0.00 H ATOM 55 N THR A 731 31.082 10.115 -48.636 1.00 65.51 N ATOM 56 CA THR A 731 31.307 9.530 -47.319 1.00 55.59 C ATOM 57 C THR A 731 30.015 9.495 -46.511 1.00 47.69 C ATOM 58 O THR A 731 29.635 8.449 -45.971 1.00 44.57 O ATOM 59 CB THR A 731 32.387 10.321 -46.577 1.00 64.40 C ATOM 60 OG1 THR A 731 33.506 10.537 -47.446 1.00 70.66 O ATOM 61 CG2 THR A 731 32.854 9.570 -45.341 1.00 54.47 C ATOM 62 HG1 THR A 731 33.211 11.048 -48.241 1.00 0.00 H ATOM 63 H THR A 731 31.528 11.023 -48.879 1.00 0.00 H ATOM 64 N LEU A 732 29.315 10.628 -46.433 1.00 67.88 N ATOM 65 CA LEU A 732 28.103 10.696 -45.624 1.00 53.02 C ATOM 66 C LEU A 732 27.043 9.723 -46.125 1.00 54.09 C ATOM 67 O LEU A 732 26.363 9.070 -45.324 1.00 40.38 O ATOM 68 CB LEU A 732 27.561 12.125 -45.618 1.00 59.61 C ATOM 69 CG LEU A 732 28.467 13.170 -44.965 1.00 53.67 C ATOM 70 CD1 LEU A 732 27.842 14.553 -45.049 1.00 50.59 C ATOM 71 CD2 LEU A 732 28.759 12.805 -43.517 1.00 56.24 C ATOM 72 H LEU A 732 29.636 11.469 -46.953 1.00 0.00 H ATOM 73 N LYS A 733 26.881 9.612 -47.447 1.00 62.30 N ATOM 74 CA LYS A 733 25.895 8.681 -47.986 1.00 57.74 C ATOM 75 C LYS A 733 26.223 7.247 -47.589 1.00 51.44 C ATOM 76 O LYS A 733 25.334 6.486 -47.189 1.00 55.66 O ATOM 77 CB LYS A 733 25.818 8.813 -49.507 1.00 57.60 C ATOM 78 CG LYS A 733 24.759 7.928 -50.152 1.00 61.28 C ATOM 79 CD LYS A 733 24.458 8.378 -51.574 1.00 78.13 C ATOM 80 CE LYS A 733 23.516 7.420 -52.285 1.00 83.87 C ATOM 81 NZ LYS A 733 23.228 7.864 -53.679 1.00 93.11 N ATOM 82 HZ1 LYS A 733 22.785 8.805 -53.657 1.00 0.00 H ATOM 83 HZ2 LYS A 733 24.117 7.911 -54.217 1.00 0.00 H ATOM 84 HZ3 LYS A 733 22.582 7.186 -54.131 1.00 0.00 H ATOM 85 H LYS A 733 27.458 10.189 -48.092 1.00 0.00 H ATOM 86 N SER A 734 27.495 6.859 -47.699 1.00 56.98 N ATOM 87 CA SER A 734 27.912 5.541 -47.234 1.00 50.66 C ATOM 88 C SER A 734 27.558 5.346 -45.763 1.00 48.61 C ATOM 89 O SER A 734 26.903 4.365 -45.394 1.00 43.63 O ATOM 90 CB SER A 734 29.416 5.367 -47.455 1.00 57.99 C ATOM 91 OG SER A 734 29.859 4.097 -47.007 1.00 57.00 O ATOM 92 HG SER A 734 29.383 3.387 -47.507 1.00 0.00 H ATOM 93 H SER A 734 28.195 7.502 -48.120 1.00 0.00 H ATOM 94 N ILE A 735 27.977 6.282 -44.909 1.00 49.66 N ATOM 95 CA ILE A 735 27.713 6.159 -43.477 1.00 52.85 C ATOM 96 C ILE A 735 26.218 6.025 -43.221 1.00 44.41 C ATOM 97 O ILE A 735 25.770 5.131 -42.491 1.00 40.07 O ATOM 98 CB ILE A 735 28.307 7.361 -42.719 1.00 60.29 C ATOM 99 CG1 ILE A 735 29.836 7.322 -42.782 1.00 47.18 C ATOM 100 CG2 ILE A 735 27.819 7.374 -41.275 1.00 43.82 C ATOM 101 CD1 ILE A 735 30.505 8.592 -42.300 1.00 63.32 C ATOM 102 H ILE A 735 28.497 7.108 -45.267 1.00 0.00 H ATOM 103 N LEU A 736 25.420 6.913 -43.818 1.00 50.52 N ATOM 104 CA LEU A 736 23.981 6.888 -43.578 1.00 48.91 C ATOM 105 C LEU A 736 23.363 5.589 -44.078 1.00 42.47 C ATOM 106 O LEU A 736 22.511 4.998 -43.404 1.00 42.50 O ATOM 107 CB LEU A 736 23.320 8.093 -44.247 1.00 57.31 C ATOM 108 CG LEU A 736 21.827 8.283 -43.973 1.00 53.22 C ATOM 109 CD1 LEU A 736 21.547 8.344 -42.475 1.00 48.49 C ATOM 110 CD2 LEU A 736 21.321 9.540 -44.665 1.00 55.21 C ATOM 111 H LEU A 736 25.826 7.626 -44.457 1.00 0.00 H ATOM 112 N GLN A 737 23.781 5.125 -45.257 1.00 44.02 N ATOM 113 CA GLN A 737 23.255 3.870 -45.783 1.00 53.28 C ATOM 114 C GLN A 737 23.576 2.707 -44.854 1.00 48.81 C ATOM 115 O GLN A 737 22.747 1.810 -44.660 1.00 45.79 O ATOM 116 CB GLN A 737 23.822 3.615 -47.179 1.00 55.29 C ATOM 117 CG GLN A 737 23.242 4.511 -48.257 1.00 61.18 C ATOM 118 CD GLN A 737 22.205 3.802 -49.102 1.00 62.57 C ATOM 119 OE1 GLN A 737 22.540 3.106 -50.060 1.00 74.37 O ATOM 120 NE2 GLN A 737 20.937 3.971 -48.750 1.00 75.83 N ATOM 121 HE22 GLN A 737 20.699 4.569 -47.933 1.00 0.00 H ATOM 122 HE21 GLN A 737 20.181 3.506 -49.291 1.00 0.00 H ATOM 123 H GLN A 737 24.485 5.661 -45.804 1.00 0.00 H ATOM 124 N GLN A 738 24.775 2.702 -44.269 1.00 49.01 N ATOM 125 CA GLN A 738 25.136 1.632 -43.347 1.00 55.20 C ATOM 126 C GLN A 738 24.319 1.714 -42.065 1.00 46.54 C ATOM 127 O GLN A 738 23.890 0.686 -41.528 1.00 40.39 O ATOM 128 CB GLN A 738 26.634 1.685 -43.049 1.00 53.71 C ATOM 129 CG GLN A 738 27.484 1.378 -44.270 1.00 57.33 C ATOM 130 CD GLN A 738 28.955 1.208 -43.953 1.00 49.13 C ATOM 131 OE1 GLN A 738 29.330 0.431 -43.075 1.00 59.52 O ATOM 132 NE2 GLN A 738 29.800 1.933 -44.675 1.00 50.25 N ATOM 133 HE22 GLN A 738 29.438 2.577 -45.407 1.00 0.00 H ATOM 134 HE21 GLN A 738 30.824 1.857 -44.509 1.00 0.00 H ATOM 135 H GLN A 738 25.454 3.463 -44.471 1.00 0.00 H ATOM 136 N VAL A 739 24.079 2.927 -41.564 1.00 46.55 N ATOM 137 CA VAL A 739 23.218 3.083 -40.396 1.00 48.00 C ATOM 138 C VAL A 739 21.809 2.600 -40.710 1.00 40.69 C ATOM 139 O VAL A 739 21.179 1.908 -39.901 1.00 43.41 O ATOM 140 CB VAL A 739 23.217 4.548 -39.923 1.00 50.53 C ATOM 141 CG1 VAL A 739 22.149 4.760 -38.863 1.00 45.47 C ATOM 142 CG2 VAL A 739 24.586 4.936 -39.386 1.00 49.33 C ATOM 143 H VAL A 739 24.507 3.765 -42.008 1.00 0.00 H ATOM 144 N LYS A 740 21.290 2.956 -41.889 1.00 46.59 N ATOM 145 CA LYS A 740 19.927 2.576 -42.244 1.00 51.86 C ATOM 146 C LYS A 740 19.775 1.066 -42.377 1.00 49.65 C ATOM 147 O LYS A 740 18.675 0.537 -42.180 1.00 54.97 O ATOM 148 CB LYS A 740 19.507 3.271 -43.543 1.00 52.28 C ATOM 149 CG LYS A 740 19.257 4.768 -43.389 1.00 49.39 C ATOM 150 CD LYS A 740 18.845 5.423 -44.702 1.00 64.54 C ATOM 151 CE LYS A 740 17.381 5.169 -45.029 1.00 66.03 C ATOM 152 NZ LYS A 740 16.966 5.849 -46.290 1.00 88.24 N ATOM 153 HZ1 LYS A 740 17.105 6.875 -46.191 1.00 0.00 H ATOM 154 HZ2 LYS A 740 17.543 5.495 -47.080 1.00 0.00 H ATOM 155 HZ3 LYS A 740 15.962 5.650 -46.476 1.00 0.00 H ATOM 156 H LYS A 740 21.862 3.508 -42.559 1.00 0.00 H ATOM 157 N SER A 741 20.857 0.355 -42.699 1.00 52.87 N ATOM 158 CA SER A 741 20.798 -1.094 -42.841 1.00 58.28 C ATOM 159 C SER A 741 20.896 -1.830 -41.511 1.00 55.38 C ATOM 160 O SER A 741 20.613 -3.033 -41.467 1.00 44.36 O ATOM 161 CB SER A 741 21.923 -1.583 -43.759 1.00 57.32 C ATOM 162 OG SER A 741 21.946 -0.859 -44.977 1.00 66.42 O ATOM 163 HG SER A 741 22.090 0.102 -44.786 1.00 0.00 H ATOM 164 H SER A 741 21.761 0.845 -42.852 1.00 0.00 H ATOM 165 N HIS A 742 21.282 -1.149 -40.437 1.00 53.05 N ATOM 166 CA HIS A 742 21.527 -1.826 -39.172 1.00 46.54 C ATOM 167 C HIS A 742 20.231 -2.393 -38.606 1.00 48.54 C ATOM 168 O HIS A 742 19.158 -1.798 -38.743 1.00 43.17 O ATOM 169 CB HIS A 742 22.165 -0.859 -38.174 1.00 58.81 C ATOM 170 CG HIS A 742 22.841 -1.536 -37.024 1.00 53.98 C ATOM 171 ND1 HIS A 742 22.149 -2.031 -35.940 1.00 45.09 N ATOM 172 CD2 HIS A 742 24.148 -1.798 -36.785 1.00 55.82 C ATOM 173 CE1 HIS A 742 22.998 -2.570 -35.085 1.00 48.57 C ATOM 174 NE2 HIS A 742 24.218 -2.441 -35.573 1.00 59.14 N ATOM 175 H HIS A 742 21.411 -0.119 -40.501 1.00 0.00 H ATOM 176 N GLN A 743 20.339 -3.558 -37.961 1.00 39.92 N ATOM 177 CA GLN A 743 19.159 -4.218 -37.413 1.00 46.34 C ATOM 178 C GLN A 743 18.451 -3.347 -36.381 1.00 55.67 C ATOM 179 O GLN A 743 17.237 -3.473 -36.192 1.00 46.28 O ATOM 180 CB GLN A 743 19.552 -5.556 -36.784 1.00 54.12 C ATOM 181 CG GLN A 743 20.310 -6.500 -37.710 1.00 82.14 C ATOM 182 CD GLN A 743 21.820 -6.352 -37.604 1.00104.83 C ATOM 183 OE1 GLN A 743 22.349 -5.239 -37.581 1.00 69.62 O ATOM 184 NE2 GLN A 743 22.520 -7.480 -37.534 1.00101.60 N ATOM 185 HE22 GLN A 743 22.031 -8.398 -37.557 1.00 0.00 H ATOM 186 HE21 GLN A 743 23.556 -7.445 -37.456 1.00 0.00 H ATOM 187 H GLN A 743 21.274 -3.999 -37.848 1.00 0.00 H ATOM 188 N SER A 744 19.187 -2.470 -35.705 1.00 50.29 N ATOM 189 CA SER A 744 18.640 -1.623 -34.655 1.00 55.42 C ATOM 190 C SER A 744 18.112 -0.290 -35.171 1.00 45.53 C ATOM 191 O SER A 744 17.714 0.556 -34.364 1.00 48.29 O ATOM 192 CB SER A 744 19.706 -1.366 -33.585 1.00 54.69 C ATOM 193 OG SER A 744 19.939 -2.526 -32.807 1.00 51.78 O ATOM 194 HG SER A 744 20.630 -2.332 -32.126 1.00 0.00 H ATOM 195 H SER A 744 20.197 -2.385 -35.936 1.00 0.00 H ATOM 196 N ALA A 745 18.098 -0.079 -36.484 1.00 45.41 N ATOM 197 CA ALA A 745 17.640 1.183 -37.046 1.00 51.98 C ATOM 198 C ALA A 745 16.146 1.204 -37.333 1.00 47.77 C ATOM 199 O ALA A 745 15.624 2.256 -37.716 1.00 49.60 O ATOM 200 CB ALA A 745 18.403 1.493 -38.339 1.00 44.83 C ATOM 201 H ALA A 745 18.422 -0.833 -37.123 1.00 0.00 H ATOM 202 N TRP A 746 15.444 0.086 -37.151 1.00 49.06 N ATOM 203 CA TRP A 746 14.049 0.030 -37.570 1.00 54.29 C ATOM 204 C TRP A 746 13.154 1.054 -36.874 1.00 60.87 C ATOM 205 O TRP A 746 12.211 1.533 -37.527 1.00 45.59 O ATOM 206 CB TRP A 746 13.498 -1.395 -37.376 1.00 47.35 C ATOM 207 CG TRP A 746 13.432 -1.865 -35.957 1.00 56.25 C ATOM 208 CD1 TRP A 746 14.371 -2.602 -35.293 1.00 37.96 C ATOM 209 CD2 TRP A 746 12.369 -1.636 -35.024 1.00 61.94 C ATOM 210 NE1 TRP A 746 13.959 -2.843 -34.005 1.00 52.67 N ATOM 211 CE2 TRP A 746 12.734 -2.262 -33.815 1.00 45.48 C ATOM 212 CE3 TRP A 746 11.146 -0.962 -35.093 1.00 63.46 C ATOM 213 CZ2 TRP A 746 11.920 -2.233 -32.686 1.00 57.20 C ATOM 214 CZ3 TRP A 746 10.340 -0.935 -33.970 1.00 49.72 C ATOM 215 CH2 TRP A 746 10.731 -1.566 -32.783 1.00 63.71 C ATOM 216 HE1 TRP A 746 14.491 -3.380 -33.290 1.00 0.00 H ATOM 217 H TRP A 746 15.890 -0.744 -36.711 1.00 0.00 H ATOM 218 N PRO A 747 13.373 1.444 -35.611 1.00 49.72 N ATOM 219 CA PRO A 747 12.469 2.431 -35.000 1.00 51.12 C ATOM 220 C PRO A 747 12.648 3.841 -35.535 1.00 41.59 C ATOM 221 O PRO A 747 11.838 4.715 -35.199 1.00 57.77 O ATOM 222 CB PRO A 747 12.826 2.367 -33.505 1.00 52.43 C ATOM 223 CG PRO A 747 13.699 1.154 -33.343 1.00 48.99 C ATOM 224 CD PRO A 747 14.399 1.003 -34.650 1.00 53.22 C ATOM 225 N PHE A 748 13.670 4.092 -36.353 1.00 43.03 N ATOM 226 CA PHE A 748 14.046 5.448 -36.730 1.00 48.99 C ATOM 227 C PHE A 748 14.061 5.671 -38.237 1.00 45.47 C ATOM 228 O PHE A 748 14.574 6.700 -38.691 1.00 48.14 O ATOM 229 CB PHE A 748 15.426 5.781 -36.152 1.00 45.69 C ATOM 230 CG PHE A 748 15.608 5.345 -34.726 1.00 51.96 C ATOM 231 CD1 PHE A 748 14.919 5.975 -33.702 1.00 38.77 C ATOM 232 CD2 PHE A 748 16.473 4.311 -34.407 1.00 39.26 C ATOM 233 CE1 PHE A 748 15.086 5.577 -32.386 1.00 49.46 C ATOM 234 CE2 PHE A 748 16.646 3.909 -33.094 1.00 44.73 C ATOM 235 CZ PHE A 748 15.951 4.542 -32.081 1.00 55.59 C ATOM 236 H PHE A 748 14.217 3.294 -36.735 1.00 0.00 H ATOM 237 N MET A 749 13.509 4.747 -39.026 1.00 54.53 N ATOM 238 CA MET A 749 13.606 4.863 -40.479 1.00 52.12 C ATOM 239 C MET A 749 12.735 5.996 -41.012 1.00 48.40 C ATOM 240 O MET A 749 13.118 6.680 -41.967 1.00 65.25 O ATOM 241 CB MET A 749 13.214 3.541 -41.137 1.00 62.38 C ATOM 242 CG MET A 749 14.091 2.363 -40.739 1.00 66.58 C ATOM 243 SD MET A 749 15.816 2.560 -41.225 1.00 59.67 S ATOM 244 CE MET A 749 15.653 2.837 -42.988 1.00 63.89 C ATOM 245 H MET A 749 13.007 3.940 -38.604 1.00 0.00 H ATOM 246 N GLU A 750 11.563 6.209 -40.411 1.00 53.61 N ATOM 247 CA GLU A 750 10.620 7.219 -40.885 1.00 61.04 C ATOM 248 C GLU A 750 10.048 7.999 -39.707 1.00 40.32 C ATOM 249 O GLU A 750 10.199 7.576 -38.553 1.00 57.11 O ATOM 250 CB GLU A 750 9.493 6.566 -41.688 1.00 59.19 C ATOM 251 CG GLU A 750 9.881 6.174 -43.106 1.00 78.67 C ATOM 252 CD GLU A 750 8.900 5.199 -43.733 1.00 90.79 C ATOM 253 OE1 GLU A 750 7.895 4.854 -43.076 1.00 74.33 O ATOM 254 OE2 GLU A 750 9.140 4.774 -44.883 1.00 80.82 O ATOM 255 H GLU A 750 11.313 5.638 -39.579 1.00 0.00 H ATOM 256 N PRO A 751 9.393 9.137 -39.947 1.00 51.91 N ATOM 257 CA PRO A 751 8.888 9.938 -38.826 1.00 53.94 C ATOM 258 C PRO A 751 7.872 9.172 -37.996 1.00 57.32 C ATOM 259 O PRO A 751 7.084 8.380 -38.517 1.00 56.22 O ATOM 260 CB PRO A 751 8.249 11.151 -39.514 1.00 53.67 C ATOM 261 CG PRO A 751 8.939 11.247 -40.829 1.00 51.45 C ATOM 262 CD PRO A 751 9.207 9.824 -41.237 1.00 53.99 C ATOM 263 N VAL A 752 7.907 9.412 -36.684 1.00 41.96 N ATOM 264 CA VAL A 752 6.896 8.854 -35.798 1.00 46.17 C ATOM 265 C VAL A 752 5.513 9.274 -36.279 1.00 53.57 C ATOM 266 O VAL A 752 5.286 10.433 -36.650 1.00 56.61 O ATOM 267 CB VAL A 752 7.148 9.321 -34.354 1.00 60.10 C ATOM 268 CG1 VAL A 752 6.081 8.778 -33.418 1.00 61.51 C ATOM 269 CG2 VAL A 752 8.542 8.909 -33.892 1.00 60.03 C ATOM 270 H VAL A 752 8.665 10.005 -36.290 1.00 0.00 H ATOM 271 N LYS A 753 4.578 8.329 -36.276 1.00 62.57 N ATOM 272 CA LYS A 753 3.200 8.609 -36.652 1.00 65.24 C ATOM 273 C LYS A 753 2.375 8.957 -35.418 1.00 64.84 C ATOM 274 O LYS A 753 2.626 8.458 -34.318 1.00 60.77 O ATOM 275 CB LYS A 753 2.577 7.410 -37.370 1.00 60.32 C ATOM 276 CG LYS A 753 3.132 7.151 -38.765 1.00 64.16 C ATOM 277 CD LYS A 753 2.629 5.823 -39.322 1.00 74.73 C ATOM 278 CE LYS A 753 3.136 5.568 -40.736 1.00 94.38 C ATOM 279 NZ LYS A 753 4.610 5.346 -40.792 1.00 92.71 N ATOM 280 HZ1 LYS A 753 5.100 6.187 -40.426 1.00 0.00 H ATOM 281 HZ2 LYS A 753 4.857 4.519 -40.212 1.00 0.00 H ATOM 282 HZ3 LYS A 753 4.897 5.178 -41.777 1.00 0.00 H ATOM 283 H LYS A 753 4.839 7.362 -35.997 1.00 0.00 H ATOM 284 N ARG A 754 1.384 9.832 -35.611 1.00 71.89 N ATOM 285 CA ARG A 754 0.487 10.177 -34.513 1.00 72.56 C ATOM 286 C ARG A 754 -0.214 8.937 -33.976 1.00 78.17 C ATOM 287 O ARG A 754 -0.458 8.821 -32.768 1.00 57.69 O ATOM 288 CB ARG A 754 -0.539 11.211 -34.975 1.00 62.64 C ATOM 289 CG ARG A 754 0.069 12.440 -35.624 1.00 77.92 C ATOM 290 CD ARG A 754 -0.480 13.720 -35.018 1.00 75.51 C ATOM 291 NE ARG A 754 0.207 14.899 -35.539 1.00103.48 N ATOM 292 CZ ARG A 754 0.287 16.067 -34.907 1.00106.59 C ATOM 293 NH1 ARG A 754 -0.270 16.227 -33.713 1.00 97.84 N ATOM 294 NH2 ARG A 754 0.937 17.077 -35.469 1.00 98.15 N ATOM 295 HE ARG A 754 0.666 14.820 -36.469 1.00 0.00 H ATOM 296 HH12 ARG A 754 -0.202 17.144 -33.226 1.00 0.00 H ATOM 297 HH11 ARG A 754 -0.774 15.436 -33.264 1.00 0.00 H ATOM 298 HH22 ARG A 754 1.002 17.991 -34.978 1.00 0.00 H ATOM 299 HH21 ARG A 754 1.382 16.955 -36.401 1.00 0.00 H ATOM 300 H ARG A 754 1.252 10.268 -36.546 1.00 0.00 H ATOM 301 N THR A 755 -0.547 7.996 -34.864 1.00 71.34 N ATOM 302 CA THR A 755 -1.148 6.741 -34.429 1.00 71.79 C ATOM 303 C THR A 755 -0.197 5.961 -33.532 1.00 64.19 C ATOM 304 O THR A 755 -0.612 5.396 -32.513 1.00 78.03 O ATOM 305 CB THR A 755 -1.537 5.900 -35.646 1.00 73.94 C ATOM 306 OG1 THR A 755 -0.358 5.524 -36.369 1.00 81.26 O ATOM 307 CG2 THR A 755 -2.454 6.685 -36.568 1.00 65.10 C ATOM 308 HG1 THR A 755 -0.614 4.980 -37.156 1.00 0.00 H ATOM 309 H THR A 755 -0.376 8.161 -35.877 1.00 0.00 H ATOM 310 N GLU A 756 1.089 5.926 -33.893 1.00 71.05 N ATOM 311 CA GLU A 756 2.062 5.149 -33.131 1.00 75.00 C ATOM 312 C GLU A 756 2.323 5.766 -31.763 1.00 65.73 C ATOM 313 O GLU A 756 2.519 5.044 -30.778 1.00 61.94 O ATOM 314 CB GLU A 756 3.363 5.030 -33.929 1.00 62.91 C ATOM 315 CG GLU A 756 3.251 4.115 -35.141 1.00 58.09 C ATOM 316 CD GLU A 756 4.278 4.416 -36.220 1.00 63.02 C ATOM 317 OE1 GLU A 756 4.296 3.692 -37.239 1.00 67.77 O ATOM 318 OE2 GLU A 756 5.062 5.374 -36.058 1.00 54.61 O ATOM 319 H GLU A 756 1.401 6.460 -34.729 1.00 0.00 H ATOM 320 N ALA A 757 2.329 7.094 -31.676 1.00 73.88 N ATOM 321 CA ALA A 757 2.590 7.790 -30.416 1.00 66.53 C ATOM 322 C ALA A 757 1.762 9.063 -30.369 1.00 68.71 C ATOM 323 O ALA A 757 2.250 10.159 -30.672 1.00 67.03 O ATOM 324 CB ALA A 757 4.079 8.103 -30.256 1.00 67.79 C ATOM 325 H ALA A 757 2.142 7.655 -32.531 1.00 0.00 H ATOM 326 N PRO A 758 0.487 8.956 -29.995 1.00 73.13 N ATOM 327 CA PRO A 758 -0.343 10.161 -29.870 1.00 74.60 C ATOM 328 C PRO A 758 0.267 11.155 -28.892 1.00 73.10 C ATOM 329 O PRO A 758 0.737 10.788 -27.813 1.00 64.94 O ATOM 330 CB PRO A 758 -1.685 9.620 -29.363 1.00 82.08 C ATOM 331 CG PRO A 758 -1.707 8.185 -29.785 1.00 72.04 C ATOM 332 CD PRO A 758 -0.278 7.722 -29.741 1.00 71.89 C ATOM 333 N GLY A 759 0.253 12.429 -29.283 1.00 64.00 N ATOM 334 CA GLY A 759 0.831 13.482 -28.477 1.00 68.30 C ATOM 335 C GLY A 759 2.338 13.588 -28.547 1.00 66.15 C ATOM 336 O GLY A 759 2.916 14.428 -27.845 1.00 72.67 O ATOM 337 H GLY A 759 -0.186 12.673 -30.194 1.00 0.00 H ATOM 338 N TYR A 760 2.992 12.764 -29.367 1.00 75.44 N ATOM 339 CA TYR A 760 4.445 12.815 -29.491 1.00 62.79 C ATOM 340 C TYR A 760 4.915 14.212 -29.878 1.00 65.04 C ATOM 341 O TYR A 760 5.864 14.749 -29.292 1.00 53.88 O ATOM 342 CB TYR A 760 4.897 11.780 -30.525 1.00 60.14 C ATOM 343 CG TYR A 760 6.390 11.699 -30.761 1.00 57.26 C ATOM 344 CD1 TYR A 760 7.202 10.928 -29.940 1.00 65.60 C ATOM 345 CD2 TYR A 760 6.982 12.372 -31.821 1.00 57.81 C ATOM 346 CE1 TYR A 760 8.566 10.842 -30.158 1.00 51.28 C ATOM 347 CE2 TYR A 760 8.345 12.291 -32.048 1.00 60.06 C ATOM 348 CZ TYR A 760 9.132 11.525 -31.215 1.00 63.86 C ATOM 349 OH TYR A 760 10.488 11.441 -31.436 1.00 46.48 O ATOM 350 HH TYR A 760 10.897 10.855 -30.751 1.00 0.00 H ATOM 351 H TYR A 760 2.456 12.072 -29.929 1.00 0.00 H ATOM 352 N TYR A 761 4.250 14.824 -30.854 1.00 55.15 N ATOM 353 CA TYR A 761 4.703 16.083 -31.430 1.00 68.88 C ATOM 354 C TYR A 761 4.339 17.299 -30.590 1.00 70.26 C ATOM 355 O TYR A 761 4.617 18.426 -31.014 1.00 73.24 O ATOM 356 CB TYR A 761 4.141 16.220 -32.845 1.00 75.82 C ATOM 357 CG TYR A 761 4.773 15.235 -33.800 1.00 71.51 C ATOM 358 CD1 TYR A 761 5.999 15.507 -34.390 1.00 63.61 C ATOM 359 CD2 TYR A 761 4.161 14.023 -34.089 1.00 59.12 C ATOM 360 CE1 TYR A 761 6.591 14.610 -35.253 1.00 62.26 C ATOM 361 CE2 TYR A 761 4.747 13.116 -34.952 1.00 64.58 C ATOM 362 CZ TYR A 761 5.963 13.416 -35.530 1.00 60.34 C ATOM 363 OH TYR A 761 6.556 12.522 -36.390 1.00 58.04 O ATOM 364 HH TYR A 761 6.720 11.669 -35.915 1.00 0.00 H ATOM 365 H TYR A 761 3.378 14.389 -31.218 1.00 0.00 H ATOM 366 N GLU A 762 3.737 17.108 -29.420 1.00 75.52 N ATOM 367 CA GLU A 762 3.577 18.182 -28.450 1.00 75.98 C ATOM 368 C GLU A 762 4.637 18.135 -27.359 1.00 72.60 C ATOM 369 O GLU A 762 4.606 18.964 -26.445 1.00 81.34 O ATOM 370 CB GLU A 762 2.179 18.130 -27.824 1.00 82.96 C ATOM 371 CG GLU A 762 1.084 18.713 -28.710 1.00 84.94 C ATOM 372 CD GLU A 762 0.793 17.860 -29.931 1.00 97.27 C ATOM 373 OE1 GLU A 762 0.645 16.629 -29.778 1.00 96.92 O ATOM 374 OE2 GLU A 762 0.715 18.419 -31.046 1.00 93.52 O ATOM 375 H GLU A 762 3.369 16.163 -29.191 1.00 0.00 H ATOM 376 N VAL A 763 5.573 17.186 -27.436 1.00 68.83 N ATOM 377 CA VAL A 763 6.672 17.077 -26.489 1.00 72.48 C ATOM 378 C VAL A 763 8.023 17.200 -27.179 1.00 61.71 C ATOM 379 O VAL A 763 8.960 17.784 -26.623 1.00 71.40 O ATOM 380 CB VAL A 763 6.598 15.749 -25.702 1.00 77.38 C ATOM 381 CG1 VAL A 763 7.084 15.948 -24.272 1.00 73.81 C ATOM 382 CG2 VAL A 763 5.189 15.174 -25.733 1.00 80.04 C ATOM 383 H VAL A 763 5.514 16.493 -28.209 1.00 0.00 H ATOM 384 N ILE A 764 8.142 16.663 -28.388 1.00 75.75 N ATOM 385 CA ILE A 764 9.401 16.610 -29.122 1.00 51.94 C ATOM 386 C ILE A 764 9.357 17.738 -30.148 1.00 49.85 C ATOM 387 O ILE A 764 8.746 17.608 -31.212 1.00 64.65 O ATOM 388 CB ILE A 764 9.607 15.239 -29.773 1.00 60.34 C ATOM 389 CG1 ILE A 764 9.701 14.150 -28.695 1.00 61.05 C ATOM 390 CG2 ILE A 764 10.846 15.237 -30.659 1.00 51.38 C ATOM 391 CD1 ILE A 764 10.953 14.219 -27.831 1.00 48.80 C ATOM 392 H ILE A 764 7.294 16.260 -28.834 1.00 0.00 H ATOM 393 N ARG A 765 10.012 18.856 -29.826 1.00 63.69 N ATOM 394 CA ARG A 765 9.882 20.057 -30.644 1.00 71.96 C ATOM 395 C ARG A 765 10.598 19.925 -31.981 1.00 54.69 C ATOM 396 O ARG A 765 10.193 20.559 -32.961 1.00 60.09 O ATOM 397 CB ARG A 765 10.420 21.268 -29.880 1.00 57.90 C ATOM 398 H ARG A 765 10.621 18.871 -28.983 1.00 0.00 H ATOM 399 N PHE A 766 11.655 19.114 -32.052 1.00 68.52 N ATOM 400 CA PHE A 766 12.492 19.008 -33.246 1.00 61.14 C ATOM 401 C PHE A 766 12.562 17.550 -33.686 1.00 51.48 C ATOM 402 O PHE A 766 13.552 16.853 -33.413 1.00 48.10 O ATOM 403 CB PHE A 766 13.888 19.573 -32.985 1.00 60.14 C ATOM 404 CG PHE A 766 13.889 21.013 -32.548 1.00 62.37 C ATOM 405 CD1 PHE A 766 13.613 22.028 -33.451 1.00 69.91 C ATOM 406 CD2 PHE A 766 14.174 21.353 -31.235 1.00 59.53 C ATOM 407 CE1 PHE A 766 13.614 23.354 -33.052 1.00 66.77 C ATOM 408 CE2 PHE A 766 14.178 22.678 -30.830 1.00 67.60 C ATOM 409 CZ PHE A 766 13.899 23.679 -31.740 1.00 62.21 C ATOM 410 H PHE A 766 11.894 18.533 -31.223 1.00 0.00 H ATOM 411 N PRO A 767 11.539 17.058 -34.382 1.00 65.69 N ATOM 412 CA PRO A 767 11.563 15.663 -34.837 1.00 61.02 C ATOM 413 C PRO A 767 12.632 15.432 -35.893 1.00 57.82 C ATOM 414 O PRO A 767 12.949 16.315 -36.694 1.00 59.17 O ATOM 415 CB PRO A 767 10.160 15.447 -35.423 1.00 61.95 C ATOM 416 CG PRO A 767 9.343 16.638 -35.008 1.00 61.73 C ATOM 417 CD PRO A 767 10.304 17.755 -34.779 1.00 59.19 C ATOM 418 N MET A 768 13.181 14.217 -35.897 1.00 58.54 N ATOM 419 CA MET A 768 14.144 13.828 -36.917 1.00 53.41 C ATOM 420 C MET A 768 14.101 12.318 -37.110 1.00 39.49 C ATOM 421 O MET A 768 13.755 11.565 -36.196 1.00 42.99 O ATOM 422 CB MET A 768 15.563 14.280 -36.550 1.00 51.66 C ATOM 423 CG MET A 768 16.597 14.031 -37.637 1.00 44.77 C ATOM 424 SD MET A 768 16.129 14.703 -39.244 1.00 58.39 S ATOM 425 CE MET A 768 16.190 16.461 -38.914 1.00 56.86 C ATOM 426 H MET A 768 12.916 13.535 -35.158 1.00 0.00 H ATOM 427 N ASP A 769 14.454 11.890 -38.319 1.00 50.23 N ATOM 428 CA ASP A 769 14.439 10.482 -38.687 1.00 49.28 C ATOM 429 C ASP A 769 15.390 10.293 -39.862 1.00 43.86 C ATOM 430 O ASP A 769 15.856 11.262 -40.466 1.00 51.52 O ATOM 431 CB ASP A 769 13.028 10.013 -39.043 1.00 50.04 C ATOM 432 CG ASP A 769 12.506 10.666 -40.304 1.00 51.60 C ATOM 433 OD1 ASP A 769 12.204 11.880 -40.278 1.00 48.81 O ATOM 434 OD2 ASP A 769 12.429 9.967 -41.332 1.00 56.45 O ATOM 435 H ASP A 769 14.752 12.589 -39.029 1.00 0.00 H ATOM 436 N LEU A 770 15.658 9.027 -40.192 1.00 45.31 N ATOM 437 CA LEU A 770 16.676 8.713 -41.193 1.00 48.04 C ATOM 438 C LEU A 770 16.192 8.962 -42.617 1.00 44.90 C ATOM 439 O LEU A 770 17.007 9.270 -43.495 1.00 43.11 O ATOM 440 CB LEU A 770 17.131 7.261 -41.035 1.00 45.96 C ATOM 441 CG LEU A 770 17.622 6.899 -39.628 1.00 51.82 C ATOM 442 CD1 LEU A 770 18.095 5.456 -39.557 1.00 51.55 C ATOM 443 CD2 LEU A 770 18.727 7.850 -39.185 1.00 58.81 C ATOM 444 H LEU A 770 15.136 8.255 -39.731 1.00 0.00 H ATOM 445 N LYS A 771 14.890 8.822 -42.876 1.00 48.40 N ATOM 446 CA LYS A 771 14.354 9.220 -44.174 1.00 51.07 C ATOM 447 C LYS A 771 14.546 10.715 -44.386 1.00 45.76 C ATOM 448 O LYS A 771 15.086 11.147 -45.411 1.00 49.07 O ATOM 449 CB LYS A 771 12.875 8.842 -44.269 1.00 61.78 C ATOM 450 CG LYS A 771 12.229 9.104 -45.628 1.00 61.07 C ATOM 451 CD LYS A 771 12.461 7.953 -46.603 1.00 84.47 C ATOM 452 CE LYS A 771 11.449 7.974 -47.743 1.00 83.14 C ATOM 453 NZ LYS A 771 10.042 7.890 -47.251 1.00 91.63 N ATOM 454 HZ1 LYS A 771 9.914 7.004 -46.721 1.00 0.00 H ATOM 455 HZ2 LYS A 771 9.845 8.700 -46.629 1.00 0.00 H ATOM 456 HZ3 LYS A 771 9.391 7.908 -48.062 1.00 0.00 H ATOM 457 H LYS A 771 14.256 8.429 -42.151 1.00 0.00 H ATOM 458 N THR A 772 14.120 11.521 -43.410 1.00 47.02 N ATOM 459 CA THR A 772 14.353 12.959 -43.470 1.00 50.98 C ATOM 460 C THR A 772 15.824 13.269 -43.712 1.00 47.76 C ATOM 461 O THR A 772 16.156 14.180 -44.479 1.00 48.19 O ATOM 462 CB THR A 772 13.875 13.619 -42.173 1.00 53.42 C ATOM 463 OG1 THR A 772 12.447 13.537 -42.088 1.00 52.78 O ATOM 464 CG2 THR A 772 14.308 15.079 -42.116 1.00 49.53 C ATOM 465 HG1 THR A 772 12.171 12.586 -42.094 1.00 0.00 H ATOM 466 H THR A 772 13.615 11.117 -42.596 1.00 0.00 H ATOM 467 N MET A 773 16.723 12.520 -43.069 1.00 43.43 N ATOM 468 CA MET A 773 18.151 12.755 -43.265 1.00 50.29 C ATOM 469 C MET A 773 18.579 12.399 -44.684 1.00 46.74 C ATOM 470 O MET A 773 19.381 13.118 -45.293 1.00 45.55 O ATOM 471 CB MET A 773 18.966 11.957 -42.244 1.00 42.56 C ATOM 472 CG MET A 773 18.897 12.512 -40.824 1.00 47.11 C ATOM 473 SD MET A 773 20.104 11.792 -39.684 1.00 52.71 S ATOM 474 CE MET A 773 21.641 12.352 -40.417 1.00 45.16 C ATOM 475 H MET A 773 16.405 11.767 -42.426 1.00 0.00 H ATOM 476 N SER A 774 18.061 11.295 -45.227 1.00 44.19 N ATOM 477 CA SER A 774 18.404 10.907 -46.591 1.00 46.93 C ATOM 478 C SER A 774 18.011 11.998 -47.580 1.00 46.03 C ATOM 479 O SER A 774 18.799 12.374 -48.456 1.00 52.23 O ATOM 480 CB SER A 774 17.717 9.588 -46.950 1.00 51.92 C ATOM 481 OG SER A 774 17.956 8.595 -45.967 1.00 58.24 O ATOM 482 HG SER A 774 17.605 8.905 -45.095 1.00 0.00 H ATOM 483 H SER A 774 17.407 10.706 -44.673 1.00 0.00 H ATOM 484 N GLU A 775 16.788 12.518 -47.456 1.00 49.09 N ATOM 485 CA GLU A 775 16.353 13.600 -48.332 1.00 64.65 C ATOM 486 C GLU A 775 17.204 14.847 -48.127 1.00 64.77 C ATOM 487 O GLU A 775 17.540 15.542 -49.094 1.00 54.42 O ATOM 488 CB GLU A 775 14.875 13.911 -48.090 1.00 48.89 C ATOM 489 CG GLU A 775 13.938 12.754 -48.409 1.00 59.79 C ATOM 490 CD GLU A 775 13.929 12.393 -49.884 1.00 63.42 C ATOM 491 OE1 GLU A 775 13.992 13.313 -50.727 1.00 69.93 O ATOM 492 OE2 GLU A 775 13.862 11.186 -50.201 1.00 70.85 O ATOM 493 H GLU A 775 16.141 12.149 -46.730 1.00 0.00 H ATOM 494 N ARG A 776 17.565 15.148 -46.876 1.00 48.92 N ATOM 495 CA ARG A 776 18.435 16.290 -46.614 1.00 49.18 C ATOM 496 C ARG A 776 19.800 16.100 -47.267 1.00 56.52 C ATOM 497 O ARG A 776 20.412 17.066 -47.738 1.00 55.38 O ATOM 498 CB ARG A 776 18.584 16.507 -45.107 1.00 58.58 C ATOM 499 CG ARG A 776 17.373 17.165 -44.457 1.00 59.71 C ATOM 500 CD ARG A 776 17.653 17.589 -43.021 1.00 56.83 C ATOM 501 NE ARG A 776 16.590 18.442 -42.490 1.00 56.59 N ATOM 502 CZ ARG A 776 16.643 19.072 -41.320 1.00 53.73 C ATOM 503 NH1 ARG A 776 17.710 18.954 -40.541 1.00 49.85 N ATOM 504 NH2 ARG A 776 15.625 19.825 -40.928 1.00 78.08 N ATOM 505 HE ARG A 776 15.734 18.564 -43.067 1.00 0.00 H ATOM 506 HH12 ARG A 776 17.744 19.450 -39.627 1.00 0.00 H ATOM 507 HH11 ARG A 776 18.512 18.366 -40.844 1.00 0.00 H ATOM 508 HH22 ARG A 776 15.665 20.318 -40.013 1.00 0.00 H ATOM 509 HH21 ARG A 776 14.786 19.923 -41.535 1.00 0.00 H ATOM 510 H ARG A 776 17.224 14.565 -46.085 1.00 0.00 H ATOM 511 N LEU A 777 20.297 14.863 -47.299 1.00 61.48 N ATOM 512 CA LEU A 777 21.549 14.589 -47.996 1.00 58.71 C ATOM 513 C LEU A 777 21.397 14.821 -49.494 1.00 59.09 C ATOM 514 O LEU A 777 22.242 15.470 -50.121 1.00 61.55 O ATOM 515 CB LEU A 777 22.003 13.156 -47.720 1.00 52.95 C ATOM 516 CG LEU A 777 23.312 12.736 -48.395 1.00 57.67 C ATOM 517 CD1 LEU A 777 24.490 13.507 -47.826 1.00 60.33 C ATOM 518 CD2 LEU A 777 23.529 11.238 -48.258 1.00 61.39 C ATOM 519 H LEU A 777 19.789 14.089 -46.824 1.00 0.00 H ATOM 520 N LYS A 778 20.324 14.290 -50.087 1.00 52.95 N ATOM 521 CA LYS A 778 20.111 14.459 -51.520 1.00 65.67 C ATOM 522 C LYS A 778 19.943 15.926 -51.888 1.00 54.95 C ATOM 523 O LYS A 778 20.371 16.348 -52.969 1.00 66.62 O ATOM 524 CB LYS A 778 18.889 13.658 -51.971 1.00 53.47 C ATOM 525 H LYS A 778 19.636 13.752 -49.523 1.00 0.00 H ATOM 526 N ASN A 779 19.329 16.717 -51.010 1.00 61.95 N ATOM 527 CA ASN A 779 19.157 18.143 -51.255 1.00 44.32 C ATOM 528 C ASN A 779 20.392 18.959 -50.893 1.00 60.03 C ATOM 529 O ASN A 779 20.343 20.191 -50.972 1.00 49.74 O ATOM 530 CB ASN A 779 17.941 18.658 -50.482 1.00 57.78 C ATOM 531 CG ASN A 779 16.637 18.089 -51.010 1.00 56.89 C ATOM 532 OD1 ASN A 779 16.479 17.888 -52.214 1.00 60.51 O ATOM 533 ND2 ASN A 779 15.698 17.824 -50.110 1.00 63.00 N ATOM 534 HD22 ASN A 779 15.876 18.010 -49.102 1.00 0.00 H ATOM 535 HD21 ASN A 779 14.784 17.430 -50.412 1.00 0.00 H ATOM 536 H ASN A 779 18.963 16.307 -50.127 1.00 0.00 H ATOM 537 N ARG A 780 21.485 18.307 -50.489 1.00 59.22 N ATOM 538 CA ARG A 780 22.789 18.951 -50.339 1.00 61.40 C ATOM 539 C ARG A 780 22.856 19.859 -49.113 1.00 57.56 C ATOM 540 O ARG A 780 23.560 20.871 -49.119 1.00 52.90 O ATOM 541 CB ARG A 780 23.155 19.740 -51.601 1.00 61.38 C ATOM 542 CG ARG A 780 23.095 18.912 -52.882 1.00 74.20 C ATOM 543 CD ARG A 780 24.480 18.649 -53.451 1.00 87.88 C ATOM 544 NE ARG A 780 24.636 17.270 -53.907 1.00 91.23 N ATOM 545 CZ ARG A 780 25.804 16.708 -54.201 1.00 93.61 C ATOM 546 NH1 ARG A 780 26.928 17.403 -54.086 1.00 88.24 N ATOM 547 NH2 ARG A 780 25.851 15.446 -54.606 1.00 91.92 N ATOM 548 HE ARG A 780 23.778 16.691 -54.008 1.00 0.00 H ATOM 549 HH12 ARG A 780 27.840 16.959 -54.317 1.00 0.00 H ATOM 550 HH11 ARG A 780 26.898 18.392 -53.765 1.00 0.00 H ATOM 551 HH22 ARG A 780 26.766 15.007 -54.836 1.00 0.00 H ATOM 552 HH21 ARG A 780 24.973 14.895 -54.694 1.00 0.00 H ATOM 553 H ARG A 780 21.405 17.293 -50.271 1.00 0.00 H ATOM 554 N TYR A 781 22.142 19.496 -48.047 1.00 59.59 N ATOM 555 CA TYR A 781 22.121 20.301 -46.831 1.00 58.05 C ATOM 556 C TYR A 781 23.313 20.034 -45.920 1.00 59.75 C ATOM 557 O TYR A 781 23.665 20.905 -45.116 1.00 70.89 O ATOM 558 CB TYR A 781 20.809 20.042 -46.084 1.00 50.36 C ATOM 559 CG TYR A 781 20.761 20.543 -44.658 1.00 60.22 C ATOM 560 CD1 TYR A 781 20.607 21.894 -44.376 1.00 45.38 C ATOM 561 CD2 TYR A 781 20.837 19.657 -43.593 1.00 59.29 C ATOM 562 CE1 TYR A 781 20.550 22.349 -43.070 1.00 64.91 C ATOM 563 CE2 TYR A 781 20.774 20.100 -42.289 1.00 60.02 C ATOM 564 CZ TYR A 781 20.631 21.448 -42.031 1.00 54.84 C ATOM 565 OH TYR A 781 20.582 21.890 -40.728 1.00 71.61 O ATOM 566 HH TYR A 781 20.478 22.874 -40.718 1.00 0.00 H ATOM 567 H TYR A 781 21.587 18.617 -48.084 1.00 0.00 H ATOM 568 N TYR A 782 23.955 18.870 -46.034 1.00 55.03 N ATOM 569 CA TYR A 782 25.057 18.506 -45.139 1.00 63.11 C ATOM 570 C TYR A 782 26.387 18.937 -45.751 1.00 59.68 C ATOM 571 O TYR A 782 27.180 18.133 -46.252 1.00 60.17 O ATOM 572 CB TYR A 782 25.034 17.012 -44.846 1.00 42.99 C ATOM 573 CG TYR A 782 23.784 16.545 -44.138 1.00 53.37 C ATOM 574 CD1 TYR A 782 23.468 17.010 -42.868 1.00 58.38 C ATOM 575 CD2 TYR A 782 22.926 15.631 -44.733 1.00 54.90 C ATOM 576 CE1 TYR A 782 22.326 16.585 -42.215 1.00 45.87 C ATOM 577 CE2 TYR A 782 21.783 15.198 -44.087 1.00 52.02 C ATOM 578 CZ TYR A 782 21.488 15.679 -42.830 1.00 43.37 C ATOM 579 OH TYR A 782 20.351 15.250 -42.185 1.00 46.55 O ATOM 580 HH TYR A 782 20.290 15.689 -41.300 1.00 0.00 H ATOM 581 H TYR A 782 23.666 18.203 -46.778 1.00 0.00 H ATOM 582 N VAL A 783 26.639 20.247 -45.689 1.00 61.88 N ATOM 583 CA VAL A 783 27.905 20.794 -46.167 1.00 62.92 C ATOM 584 C VAL A 783 29.043 20.608 -45.176 1.00 68.16 C ATOM 585 O VAL A 783 30.190 20.940 -45.501 1.00 63.75 O ATOM 586 CB VAL A 783 27.788 22.297 -46.489 1.00 59.00 C ATOM 587 CG1 VAL A 783 26.856 22.514 -47.673 1.00 53.50 C ATOM 588 CG2 VAL A 783 27.304 23.080 -45.270 1.00 50.41 C ATOM 589 H VAL A 783 25.922 20.888 -45.294 1.00 0.00 H ATOM 590 N SER A 784 28.766 20.091 -43.980 1.00 60.12 N ATOM 591 CA SER A 784 29.801 19.923 -42.971 1.00 55.15 C ATOM 592 C SER A 784 29.479 18.713 -42.110 1.00 60.48 C ATOM 593 O SER A 784 28.349 18.218 -42.092 1.00 58.21 O ATOM 594 CB SER A 784 29.931 21.165 -42.082 1.00 62.27 C ATOM 595 OG SER A 784 28.879 21.213 -41.134 1.00 55.48 O ATOM 596 HG SER A 784 28.913 20.405 -40.563 1.00 0.00 H ATOM 597 H SER A 784 27.791 19.802 -43.763 1.00 0.00 H ATOM 598 N LYS A 785 30.497 18.239 -41.391 1.00 61.37 N ATOM 599 CA LYS A 785 30.295 17.163 -40.427 1.00 57.00 C ATOM 600 C LYS A 785 29.398 17.619 -39.283 1.00 58.63 C ATOM 601 O LYS A 785 28.357 17.012 -39.007 1.00 56.86 O ATOM 602 CB LYS A 785 31.649 16.677 -39.901 1.00 67.21 C ATOM 603 CG LYS A 785 31.561 15.905 -38.593 1.00 65.37 C ATOM 604 CD LYS A 785 32.914 15.404 -38.125 1.00 74.76 C ATOM 605 CE LYS A 785 32.769 14.648 -36.817 1.00 76.45 C ATOM 606 NZ LYS A 785 34.074 14.435 -36.140 1.00 76.33 N ATOM 607 HZ1 LYS A 785 34.700 13.885 -36.762 1.00 0.00 H ATOM 608 HZ2 LYS A 785 34.510 15.356 -35.933 1.00 0.00 H ATOM 609 HZ3 LYS A 785 33.922 13.915 -35.252 1.00 0.00 H ATOM 610 H LYS A 785 31.447 18.642 -41.519 1.00 0.00 H ATOM 611 N LYS A 786 29.796 18.675 -38.590 1.00 59.52 N ATOM 612 CA LYS A 786 28.958 19.209 -37.527 1.00 60.66 C ATOM 613 C LYS A 786 27.668 19.717 -38.151 1.00 69.14 C ATOM 614 O LYS A 786 27.550 20.888 -38.526 1.00115.32 O ATOM 615 CB LYS A 786 29.709 20.292 -36.762 1.00 62.34 C ATOM 616 CG LYS A 786 28.871 21.464 -36.294 1.00 58.92 C ATOM 617 H LYS A 786 30.709 19.123 -38.806 1.00 0.00 H ATOM 618 N LEU A 787 26.701 18.826 -38.287 1.00 65.44 N ATOM 619 CA LEU A 787 25.530 19.091 -39.107 1.00 53.96 C ATOM 620 C LEU A 787 24.874 17.751 -39.372 1.00 46.90 C ATOM 621 O LEU A 787 23.764 17.482 -38.905 1.00 48.11 O ATOM 622 CB LEU A 787 25.888 19.771 -40.426 1.00 67.45 C ATOM 623 CG LEU A 787 24.939 20.917 -40.743 1.00 75.58 C ATOM 624 CD1 LEU A 787 25.500 21.856 -41.783 1.00 62.09 C ATOM 625 CD2 LEU A 787 23.647 20.320 -41.202 1.00 86.45 C ATOM 626 H LEU A 787 26.780 17.913 -37.795 1.00 0.00 H ATOM 627 N PHE A 788 25.583 16.899 -40.116 1.00 48.33 N ATOM 628 CA PHE A 788 25.215 15.492 -40.198 1.00 54.49 C ATOM 629 C PHE A 788 25.171 14.861 -38.812 1.00 45.84 C ATOM 630 O PHE A 788 24.265 14.080 -38.502 1.00 53.87 O ATOM 631 CB PHE A 788 26.215 14.768 -41.096 1.00 54.04 C ATOM 632 CG PHE A 788 25.873 13.336 -41.360 1.00 55.01 C ATOM 633 CD1 PHE A 788 24.984 13.000 -42.364 1.00 51.68 C ATOM 634 CD2 PHE A 788 26.457 12.321 -40.619 1.00 52.33 C ATOM 635 CE1 PHE A 788 24.669 11.679 -42.618 1.00 45.29 C ATOM 636 CE2 PHE A 788 26.149 10.998 -40.867 1.00 53.48 C ATOM 637 CZ PHE A 788 25.253 10.676 -41.869 1.00 56.52 C ATOM 638 H PHE A 788 26.409 17.245 -40.644 1.00 0.00 H ATOM 639 N MET A 789 26.145 15.191 -37.962 1.00 46.60 N ATOM 640 CA MET A 789 26.163 14.663 -36.602 1.00 61.56 C ATOM 641 C MET A 789 24.977 15.182 -35.799 1.00 57.04 C ATOM 642 O MET A 789 24.314 14.416 -35.090 1.00 49.95 O ATOM 643 CB MET A 789 27.475 15.046 -35.914 1.00 55.64 C ATOM 644 CG MET A 789 28.735 14.700 -36.696 1.00 59.45 C ATOM 645 SD MET A 789 29.307 13.013 -36.431 1.00 77.81 S ATOM 646 CE MET A 789 30.124 13.175 -34.842 1.00 59.23 C ATOM 647 H MET A 789 26.902 15.833 -38.273 1.00 0.00 H ATOM 648 N ALA A 790 24.689 16.481 -35.904 1.00 53.48 N ATOM 649 CA ALA A 790 23.619 17.074 -35.109 1.00 47.09 C ATOM 650 C ALA A 790 22.274 16.432 -35.421 1.00 56.97 C ATOM 651 O ALA A 790 21.501 16.116 -34.510 1.00 44.12 O ATOM 652 CB ALA A 790 23.558 18.582 -35.350 1.00 60.16 C ATOM 653 H ALA A 790 25.233 17.077 -36.560 1.00 0.00 H ATOM 654 N ASP A 791 21.971 16.240 -36.707 1.00 54.26 N ATOM 655 CA ASP A 791 20.709 15.611 -37.082 1.00 46.22 C ATOM 656 C ASP A 791 20.625 14.188 -36.542 1.00 50.91 C ATOM 657 O ASP A 791 19.620 13.799 -35.937 1.00 46.64 O ATOM 658 CB ASP A 791 20.548 15.620 -38.603 1.00 50.97 C ATOM 659 CG ASP A 791 20.053 16.954 -39.129 1.00 46.30 C ATOM 660 OD1 ASP A 791 19.816 17.868 -38.311 1.00 53.65 O ATOM 661 OD2 ASP A 791 19.897 17.086 -40.360 1.00 51.01 O ATOM 662 H ASP A 791 22.638 16.541 -37.446 1.00 0.00 H ATOM 663 N LEU A 792 21.676 13.393 -36.750 1.00 41.77 N ATOM 664 CA LEU A 792 21.621 12.004 -36.311 1.00 49.53 C ATOM 665 C LEU A 792 21.593 11.911 -34.791 1.00 37.18 C ATOM 666 O LEU A 792 20.936 11.023 -34.235 1.00 41.19 O ATOM 667 CB LEU A 792 22.803 11.222 -36.884 1.00 43.98 C ATOM 668 CG LEU A 792 22.741 9.695 -36.775 1.00 49.84 C ATOM 669 CD1 LEU A 792 21.319 9.168 -36.885 1.00 53.21 C ATOM 670 CD2 LEU A 792 23.608 9.064 -37.855 1.00 61.62 C ATOM 671 H LEU A 792 22.527 13.761 -37.221 1.00 0.00 H ATOM 672 N GLN A 793 22.282 12.821 -34.102 1.00 50.29 N ATOM 673 CA GLN A 793 22.233 12.828 -32.644 1.00 49.74 C ATOM 674 C GLN A 793 20.846 13.216 -32.143 1.00 44.24 C ATOM 675 O GLN A 793 20.371 12.680 -31.136 1.00 48.97 O ATOM 676 CB GLN A 793 23.291 13.780 -32.085 1.00 55.54 C ATOM 677 CG GLN A 793 23.495 13.659 -30.579 1.00 80.40 C ATOM 678 CD GLN A 793 24.039 12.301 -30.173 1.00 74.27 C ATOM 679 OE1 GLN A 793 25.086 11.868 -30.657 1.00 65.63 O ATOM 680 NE2 GLN A 793 23.323 11.617 -29.287 1.00 63.37 N ATOM 681 HE22 GLN A 793 22.445 12.022 -28.904 1.00 0.00 H ATOM 682 HE21 GLN A 793 23.641 10.677 -28.976 1.00 0.00 H ATOM 683 H GLN A 793 22.856 13.528 -34.605 1.00 0.00 H ATOM 684 N ARG A 794 20.185 14.151 -32.832 1.00 48.18 N ATOM 685 CA ARG A 794 18.822 14.519 -32.466 1.00 40.13 C ATOM 686 C ARG A 794 17.912 13.298 -32.445 1.00 50.92 C ATOM 687 O ARG A 794 17.046 13.173 -31.571 1.00 44.20 O ATOM 688 CB ARG A 794 18.286 15.569 -33.440 1.00 44.83 C ATOM 689 CG ARG A 794 16.832 15.965 -33.207 1.00 63.72 C ATOM 690 CD ARG A 794 16.660 16.693 -31.883 1.00 57.99 C ATOM 691 NE ARG A 794 17.374 17.967 -31.875 1.00 80.53 N ATOM 692 CZ ARG A 794 17.565 18.717 -30.795 1.00 84.12 C ATOM 693 NH1 ARG A 794 18.227 19.862 -30.895 1.00 87.20 N ATOM 694 NH2 ARG A 794 17.100 18.325 -29.616 1.00 74.67 N ATOM 695 HE ARG A 794 17.760 18.311 -32.777 1.00 0.00 H ATOM 696 HH12 ARG A 794 18.378 20.451 -30.051 1.00 0.00 H ATOM 697 HH11 ARG A 794 18.595 20.171 -31.817 1.00 0.00 H ATOM 698 HH22 ARG A 794 17.253 18.916 -28.774 1.00 0.00 H ATOM 699 HH21 ARG A 794 16.583 17.426 -29.534 1.00 0.00 H ATOM 700 H ARG A 794 20.647 14.621 -33.637 1.00 0.00 H ATOM 701 N VAL A 795 18.091 12.388 -33.405 1.00 44.70 N ATOM 702 CA VAL A 795 17.295 11.165 -33.432 1.00 39.21 C ATOM 703 C VAL A 795 17.432 10.416 -32.111 1.00 42.77 C ATOM 704 O VAL A 795 16.439 9.969 -31.525 1.00 40.62 O ATOM 705 CB VAL A 795 17.710 10.283 -34.623 1.00 46.51 C ATOM 706 CG1 VAL A 795 17.052 8.915 -34.525 1.00 45.54 C ATOM 707 CG2 VAL A 795 17.352 10.962 -35.936 1.00 56.34 C ATOM 708 H VAL A 795 18.806 12.552 -34.142 1.00 0.00 H ATOM 709 N PHE A 796 18.666 10.272 -31.622 1.00 46.80 N ATOM 710 CA PHE A 796 18.895 9.528 -30.387 1.00 50.45 C ATOM 711 C PHE A 796 18.350 10.283 -29.178 1.00 44.96 C ATOM 712 O PHE A 796 17.689 9.695 -28.314 1.00 45.41 O ATOM 713 CB PHE A 796 20.389 9.248 -30.215 1.00 41.68 C ATOM 714 CG PHE A 796 20.997 8.450 -31.340 1.00 46.42 C ATOM 715 CD1 PHE A 796 20.356 7.329 -31.843 1.00 53.35 C ATOM 716 CD2 PHE A 796 22.208 8.827 -31.896 1.00 57.11 C ATOM 717 CE1 PHE A 796 20.915 6.598 -32.877 1.00 57.17 C ATOM 718 CE2 PHE A 796 22.771 8.099 -32.929 1.00 46.76 C ATOM 719 CZ PHE A 796 22.123 6.984 -33.419 1.00 46.84 C ATOM 720 H PHE A 796 19.472 10.694 -32.126 1.00 0.00 H ATOM 721 N THR A 797 18.615 11.590 -29.099 1.00 47.72 N ATOM 722 CA THR A 797 18.183 12.356 -27.934 1.00 45.94 C ATOM 723 C THR A 797 16.662 12.438 -27.861 1.00 48.91 C ATOM 724 O THR A 797 16.083 12.338 -26.773 1.00 47.92 O ATOM 725 CB THR A 797 18.799 13.758 -27.957 1.00 46.86 C ATOM 726 OG1 THR A 797 18.410 14.443 -29.154 1.00 71.58 O ATOM 727 CG2 THR A 797 20.320 13.677 -27.894 1.00 56.81 C ATOM 728 HG1 THR A 797 18.812 15.348 -29.161 1.00 0.00 H ATOM 729 H THR A 797 19.130 12.063 -29.869 1.00 0.00 H ATOM 730 N ASN A 798 15.996 12.616 -29.005 1.00 49.65 N ATOM 731 CA ASN A 798 14.537 12.566 -29.026 1.00 54.22 C ATOM 732 C ASN A 798 14.031 11.270 -28.407 1.00 47.56 C ATOM 733 O ASN A 798 13.134 11.277 -27.557 1.00 50.89 O ATOM 734 CB ASN A 798 14.020 12.698 -30.460 1.00 44.82 C ATOM 735 CG ASN A 798 14.091 14.117 -30.979 1.00 58.21 C ATOM 736 OD1 ASN A 798 14.346 15.055 -30.225 1.00 55.34 O ATOM 737 ND2 ASN A 798 13.851 14.285 -32.276 1.00 48.08 N ATOM 738 HD22 ASN A 798 13.640 13.463 -32.876 1.00 0.00 H ATOM 739 HD21 ASN A 798 13.875 15.239 -32.690 1.00 0.00 H ATOM 740 H ASN A 798 16.520 12.791 -29.886 1.00 0.00 H ATOM 741 N CYS A 799 14.604 10.142 -28.828 1.00 47.34 N ATOM 742 CA CYS A 799 14.158 8.847 -28.329 1.00 42.45 C ATOM 743 C CYS A 799 14.453 8.695 -26.841 1.00 45.62 C ATOM 744 O CYS A 799 13.634 8.149 -26.094 1.00 50.96 O ATOM 745 CB CYS A 799 14.823 7.731 -29.136 1.00 48.07 C ATOM 746 SG CYS A 799 14.579 6.074 -28.473 1.00 52.95 S ATOM 747 H CYS A 799 15.378 10.187 -29.521 1.00 0.00 H ATOM 748 N LYS A 800 15.612 9.179 -26.388 1.00 45.75 N ATOM 749 CA LYS A 800 15.948 9.077 -24.971 1.00 50.32 C ATOM 750 C LYS A 800 15.109 10.027 -24.124 1.00 54.12 C ATOM 751 O LYS A 800 14.861 9.748 -22.945 1.00 49.91 O ATOM 752 CB LYS A 800 17.438 9.348 -24.765 1.00 58.54 C ATOM 753 CG LYS A 800 18.339 8.218 -25.243 1.00 46.12 C ATOM 754 CD LYS A 800 19.810 8.598 -25.188 1.00 59.50 C ATOM 755 CE LYS A 800 20.696 7.417 -25.556 1.00 53.84 C ATOM 756 NZ LYS A 800 22.023 7.848 -26.082 1.00 52.53 N ATOM 757 HZ1 LYS A 800 21.885 8.426 -26.935 1.00 0.00 H ATOM 758 HZ2 LYS A 800 22.516 8.408 -25.358 1.00 0.00 H ATOM 759 HZ3 LYS A 800 22.590 7.009 -26.318 1.00 0.00 H ATOM 760 H LYS A 800 16.278 9.630 -27.047 1.00 0.00 H ATOM 761 N GLU A 801 14.661 11.145 -24.699 1.00 55.41 N ATOM 762 CA GLU A 801 13.803 12.066 -23.963 1.00 60.56 C ATOM 763 C GLU A 801 12.363 11.575 -23.880 1.00 50.28 C ATOM 764 O GLU A 801 11.688 11.822 -22.876 1.00 51.73 O ATOM 765 CB GLU A 801 13.831 13.450 -24.615 1.00 55.01 C ATOM 766 CG GLU A 801 15.034 14.302 -24.241 1.00 67.64 C ATOM 767 CD GLU A 801 15.077 15.613 -25.005 1.00 65.19 C ATOM 768 OE1 GLU A 801 14.392 15.722 -26.043 1.00 58.03 O ATOM 769 OE2 GLU A 801 15.794 16.537 -24.566 1.00 75.68 O ATOM 770 H GLU A 801 14.926 11.361 -25.681 1.00 0.00 H ATOM 771 N TYR A 802 11.875 10.893 -24.916 1.00 51.92 N ATOM 772 CA TYR A 802 10.482 10.466 -24.949 1.00 56.61 C ATOM 773 C TYR A 802 10.252 9.125 -24.267 1.00 58.79 C ATOM 774 O TYR A 802 9.175 8.910 -23.699 1.00 58.00 O ATOM 775 CB TYR A 802 9.992 10.381 -26.400 1.00 60.00 C ATOM 776 CG TYR A 802 8.486 10.268 -26.533 1.00 62.25 C ATOM 777 CD1 TYR A 802 7.674 11.387 -26.399 1.00 62.26 C ATOM 778 CD2 TYR A 802 7.878 9.047 -26.796 1.00 58.66 C ATOM 779 CE1 TYR A 802 6.300 11.293 -26.518 1.00 72.17 C ATOM 780 CE2 TYR A 802 6.503 8.943 -26.917 1.00 55.60 C ATOM 781 CZ TYR A 802 5.720 10.070 -26.776 1.00 69.41 C ATOM 782 OH TYR A 802 4.351 9.977 -26.896 1.00 70.62 O ATOM 783 HH TYR A 802 3.948 10.872 -26.767 1.00 0.00 H ATOM 784 H TYR A 802 12.499 10.661 -25.715 1.00 0.00 H ATOM 785 N ASN A 803 11.229 8.226 -24.296 1.00 57.95 N ATOM 786 CA ASN A 803 11.020 6.851 -23.871 1.00 54.50 C ATOM 787 C ASN A 803 11.815 6.516 -22.614 1.00 50.19 C ATOM 788 O ASN A 803 12.814 7.172 -22.301 1.00 57.90 O ATOM 789 CB ASN A 803 11.415 5.882 -24.994 1.00 47.26 C ATOM 790 CG ASN A 803 10.579 6.070 -26.244 1.00 57.78 C ATOM 791 OD1 ASN A 803 9.385 5.774 -26.253 1.00 51.11 O ATOM 792 ND2 ASN A 803 11.204 6.559 -27.310 1.00 48.12 N ATOM 793 HD22 ASN A 803 12.215 6.796 -27.257 1.00 0.00 H ATOM 794 HD21 ASN A 803 10.682 6.705 -28.197 1.00 0.00 H ATOM 795 H ASN A 803 12.170 8.513 -24.632 1.00 0.00 H ATOM 796 N PRO A 804 11.399 5.492 -21.869 1.00 63.15 N ATOM 797 CA PRO A 804 12.151 5.085 -20.671 1.00 45.75 C ATOM 798 C PRO A 804 13.406 4.314 -21.041 1.00 62.18 C ATOM 799 O PRO A 804 13.550 3.853 -22.184 1.00 59.69 O ATOM 800 CB PRO A 804 11.156 4.193 -19.907 1.00 61.71 C ATOM 801 CG PRO A 804 9.826 4.380 -20.584 1.00 62.88 C ATOM 802 CD PRO A 804 10.132 4.750 -21.994 1.00 51.98 C ATOM 803 N PRO A 805 14.330 4.130 -20.091 1.00 53.71 N ATOM 804 CA PRO A 805 15.615 3.496 -20.429 1.00 65.95 C ATOM 805 C PRO A 805 15.517 2.013 -20.736 1.00 69.91 C ATOM 806 O PRO A 805 16.448 1.465 -21.339 1.00 69.33 O ATOM 807 CB PRO A 805 16.465 3.741 -19.174 1.00 66.69 C ATOM 808 CG PRO A 805 15.467 3.823 -18.065 1.00 54.09 C ATOM 809 CD PRO A 805 14.247 4.488 -18.663 1.00 53.08 C ATOM 810 N GLU A 806 14.434 1.344 -20.345 1.00 68.27 N ATOM 811 CA GLU A 806 14.314 -0.098 -20.511 1.00 74.50 C ATOM 812 C GLU A 806 13.319 -0.472 -21.604 1.00 70.83 C ATOM 813 O GLU A 806 12.866 -1.620 -21.661 1.00 78.74 O ATOM 814 CB GLU A 806 13.927 -0.744 -19.180 1.00 85.89 C ATOM 815 CG GLU A 806 14.797 -0.292 -18.006 1.00 91.15 C ATOM 816 CD GLU A 806 16.267 -0.640 -18.187 1.00 95.76 C ATOM 817 OE1 GLU A 806 16.581 -1.835 -18.371 1.00 88.80 O ATOM 818 OE2 GLU A 806 17.110 0.283 -18.150 1.00 79.47 O ATOM 819 H GLU A 806 13.649 1.868 -19.907 1.00 0.00 H ATOM 820 N SER A 807 12.971 0.473 -22.473 1.00 70.13 N ATOM 821 CA SER A 807 12.168 0.182 -23.650 1.00 55.72 C ATOM 822 C SER A 807 13.078 -0.215 -24.806 1.00 51.57 C ATOM 823 O SER A 807 14.247 0.178 -24.864 1.00 53.02 O ATOM 824 CB SER A 807 11.325 1.392 -24.050 1.00 64.54 C ATOM 825 OG SER A 807 12.101 2.329 -24.776 1.00 57.89 O ATOM 826 HG SER A 807 12.855 2.637 -24.214 1.00 0.00 H ATOM 827 H SER A 807 13.283 1.451 -22.305 1.00 0.00 H ATOM 828 N GLU A 808 12.528 -1.002 -25.734 1.00 62.31 N ATOM 829 CA GLU A 808 13.309 -1.444 -26.884 1.00 61.33 C ATOM 830 C GLU A 808 13.748 -0.267 -27.748 1.00 53.18 C ATOM 831 O GLU A 808 14.805 -0.329 -28.387 1.00 49.22 O ATOM 832 CB GLU A 808 12.498 -2.442 -27.715 1.00 64.43 C ATOM 833 CG GLU A 808 13.312 -3.213 -28.750 1.00 76.73 C ATOM 834 CD GLU A 808 14.023 -4.423 -28.167 1.00 74.40 C ATOM 835 OE1 GLU A 808 13.907 -4.661 -26.946 1.00 71.20 O ATOM 836 OE2 GLU A 808 14.699 -5.139 -28.936 1.00 78.57 O ATOM 837 H GLU A 808 11.537 -1.302 -25.636 1.00 0.00 H ATOM 838 N TYR A 809 12.955 0.808 -27.786 1.00 58.11 N ATOM 839 CA TYR A 809 13.357 1.996 -28.532 1.00 59.84 C ATOM 840 C TYR A 809 14.638 2.584 -27.954 1.00 52.77 C ATOM 841 O TYR A 809 15.597 2.866 -28.684 1.00 45.98 O ATOM 842 CB TYR A 809 12.238 3.042 -28.516 1.00 55.06 C ATOM 843 CG TYR A 809 10.894 2.540 -29.001 1.00 48.87 C ATOM 844 CD1 TYR A 809 10.717 2.122 -30.314 1.00 57.29 C ATOM 845 CD2 TYR A 809 9.798 2.503 -28.150 1.00 51.69 C ATOM 846 CE1 TYR A 809 9.488 1.667 -30.760 1.00 63.30 C ATOM 847 CE2 TYR A 809 8.565 2.052 -28.588 1.00 50.12 C ATOM 848 CZ TYR A 809 8.416 1.634 -29.892 1.00 57.64 C ATOM 849 OH TYR A 809 7.189 1.184 -30.327 1.00 69.69 O ATOM 850 HH TYR A 809 7.253 0.924 -31.280 1.00 0.00 H ATOM 851 H TYR A 809 12.046 0.798 -27.281 1.00 0.00 H ATOM 852 N TYR A 810 14.668 2.774 -26.634 1.00 55.03 N ATOM 853 CA TYR A 810 15.861 3.291 -25.975 1.00 57.60 C ATOM 854 C TYR A 810 17.053 2.373 -26.213 1.00 40.27 C ATOM 855 O TYR A 810 18.148 2.834 -26.555 1.00 45.96 O ATOM 856 CB TYR A 810 15.588 3.451 -24.478 1.00 57.17 C ATOM 857 CG TYR A 810 16.555 4.353 -23.741 1.00 55.44 C ATOM 858 CD1 TYR A 810 17.874 3.973 -23.534 1.00 49.59 C ATOM 859 CD2 TYR A 810 16.137 5.575 -23.224 1.00 52.09 C ATOM 860 CE1 TYR A 810 18.756 4.790 -22.849 1.00 62.17 C ATOM 861 CE2 TYR A 810 17.011 6.397 -22.533 1.00 54.95 C ATOM 862 CZ TYR A 810 18.319 6.001 -22.350 1.00 71.36 C ATOM 863 OH TYR A 810 19.194 6.817 -21.669 1.00 64.30 O ATOM 864 HH TYR A 810 20.084 6.384 -21.629 1.00 0.00 H ATOM 865 H TYR A 810 13.826 2.550 -26.066 1.00 0.00 H ATOM 866 N LYS A 811 16.859 1.063 -26.039 1.00 47.99 N ATOM 867 CA LYS A 811 17.952 0.124 -26.266 1.00 46.76 C ATOM 868 C LYS A 811 18.472 0.220 -27.695 1.00 50.94 C ATOM 869 O LYS A 811 19.687 0.189 -27.927 1.00 49.79 O ATOM 870 CB LYS A 811 17.496 -1.304 -25.968 1.00 51.18 C ATOM 871 CG LYS A 811 17.136 -1.579 -24.518 1.00 67.79 C ATOM 872 CD LYS A 811 16.850 -3.062 -24.313 1.00 67.36 C ATOM 873 CE LYS A 811 15.825 -3.301 -23.214 1.00 69.37 C ATOM 874 NZ LYS A 811 16.314 -2.881 -21.873 1.00 85.11 N ATOM 875 HZ1 LYS A 811 17.171 -3.420 -21.633 1.00 0.00 H ATOM 876 HZ2 LYS A 811 16.535 -1.865 -21.889 1.00 0.00 H ATOM 877 HZ3 LYS A 811 15.577 -3.066 -21.163 1.00 0.00 H ATOM 878 H LYS A 811 15.927 0.712 -25.741 1.00 0.00 H ATOM 879 N CYS A 812 17.566 0.329 -28.671 1.00 48.95 N ATOM 880 CA CYS A 812 17.990 0.424 -30.064 1.00 41.75 C ATOM 881 C CYS A 812 18.814 1.682 -30.302 1.00 35.66 C ATOM 882 O CYS A 812 19.769 1.669 -31.088 1.00 45.13 O ATOM 883 CB CYS A 812 16.772 0.399 -30.988 1.00 47.89 C ATOM 884 SG CYS A 812 15.998 -1.227 -31.151 1.00 52.75 S ATOM 885 H CYS A 812 16.553 0.346 -28.437 1.00 0.00 H ATOM 886 N ALA A 813 18.464 2.781 -29.630 1.00 38.04 N ATOM 887 CA ALA A 813 19.196 4.028 -29.820 1.00 48.77 C ATOM 888 C ALA A 813 20.650 3.890 -29.385 1.00 32.55 C ATOM 889 O ALA A 813 21.558 4.372 -30.072 1.00 45.18 O ATOM 890 CB ALA A 813 18.513 5.160 -29.053 1.00 45.05 C ATOM 891 H ALA A 813 17.664 2.748 -28.966 1.00 0.00 H ATOM 892 N ASN A 814 20.896 3.238 -28.247 1.00 42.32 N ATOM 893 CA ASN A 814 22.267 3.114 -27.762 1.00 41.56 C ATOM 894 C ASN A 814 23.086 2.174 -28.641 1.00 40.09 C ATOM 895 O ASN A 814 24.248 2.465 -28.951 1.00 47.06 O ATOM 896 CB ASN A 814 22.273 2.637 -26.311 1.00 54.05 C ATOM 897 CG ASN A 814 22.340 3.786 -25.318 1.00 59.95 C ATOM 898 OD1 ASN A 814 22.767 4.892 -25.654 1.00 52.96 O ATOM 899 ND2 ASN A 814 21.926 3.524 -24.086 1.00 54.50 N ATOM 900 HD22 ASN A 814 21.573 2.575 -23.847 1.00 0.00 H ATOM 901 HD21 ASN A 814 21.954 4.267 -23.359 1.00 0.00 H ATOM 902 H ASN A 814 20.112 2.819 -27.707 1.00 0.00 H ATOM 903 N ILE A 815 22.507 1.041 -29.045 1.00 46.55 N ATOM 904 CA ILE A 815 23.204 0.135 -29.955 1.00 48.99 C ATOM 905 C ILE A 815 23.567 0.860 -31.245 1.00 42.51 C ATOM 906 O ILE A 815 24.714 0.817 -31.705 1.00 44.20 O ATOM 907 CB ILE A 815 22.345 -1.110 -30.240 1.00 47.49 C ATOM 908 CG1 ILE A 815 22.205 -1.965 -28.979 1.00 50.61 C ATOM 909 CG2 ILE A 815 22.952 -1.924 -31.382 1.00 47.59 C ATOM 910 CD1 ILE A 815 21.077 -2.975 -29.050 1.00 55.58 C ATOM 911 H ILE A 815 21.552 0.801 -28.709 1.00 0.00 H ATOM 912 N LEU A 816 22.592 1.542 -31.847 1.00 49.61 N ATOM 913 CA LEU A 816 22.835 2.206 -33.123 1.00 39.98 C ATOM 914 C LEU A 816 23.822 3.355 -32.967 1.00 40.13 C ATOM 915 O LEU A 816 24.651 3.594 -33.852 1.00 39.73 O ATOM 916 CB LEU A 816 21.514 2.705 -33.708 1.00 45.95 C ATOM 917 CG LEU A 816 21.557 3.131 -35.177 1.00 60.38 C ATOM 918 CD1 LEU A 816 21.841 1.929 -36.075 1.00 43.54 C ATOM 919 CD2 LEU A 816 20.259 3.812 -35.580 1.00 48.06 C ATOM 920 H LEU A 816 21.653 1.601 -31.404 1.00 0.00 H ATOM 921 N GLU A 817 23.744 4.079 -31.848 1.00 47.84 N ATOM 922 CA GLU A 817 24.694 5.155 -31.582 1.00 49.38 C ATOM 923 C GLU A 817 26.126 4.633 -31.590 1.00 31.94 C ATOM 924 O GLU A 817 27.012 5.231 -32.211 1.00 40.64 O ATOM 925 CB GLU A 817 24.362 5.812 -30.241 1.00 48.76 C ATOM 926 CG GLU A 817 25.223 7.014 -29.887 1.00 51.74 C ATOM 927 CD GLU A 817 24.836 7.626 -28.548 1.00 54.86 C ATOM 928 OE1 GLU A 817 24.334 6.887 -27.674 1.00 45.54 O ATOM 929 OE2 GLU A 817 25.024 8.848 -28.371 1.00 48.84 O ATOM 930 H GLU A 817 22.996 3.873 -31.156 1.00 0.00 H ATOM 931 N LYS A 818 26.375 3.520 -30.894 1.00 42.95 N ATOM 932 CA LYS A 818 27.703 2.915 -30.906 1.00 38.96 C ATOM 933 C LYS A 818 28.164 2.649 -32.332 1.00 45.18 C ATOM 934 O LYS A 818 29.236 3.095 -32.754 1.00 43.95 O ATOM 935 CB LYS A 818 27.703 1.607 -30.114 1.00 41.98 C ATOM 936 CG LYS A 818 27.717 1.754 -28.611 1.00 58.93 C ATOM 937 CD LYS A 818 28.156 0.449 -27.971 1.00 58.54 C ATOM 938 CE LYS A 818 27.639 0.301 -26.555 1.00 59.47 C ATOM 939 NZ LYS A 818 28.226 -0.902 -25.908 1.00 67.16 N ATOM 940 HZ1 LYS A 818 27.966 -1.749 -26.453 1.00 0.00 H ATOM 941 HZ2 LYS A 818 29.262 -0.810 -25.882 1.00 0.00 H ATOM 942 HZ3 LYS A 818 27.860 -0.986 -24.938 1.00 0.00 H ATOM 943 H LYS A 818 25.614 3.080 -30.338 1.00 0.00 H ATOM 944 N PHE A 819 27.359 1.891 -33.082 1.00 49.34 N ATOM 945 CA PHE A 819 27.674 1.596 -34.475 1.00 44.88 C ATOM 946 C PHE A 819 27.982 2.873 -35.245 1.00 40.80 C ATOM 947 O PHE A 819 28.973 2.950 -35.980 1.00 45.51 O ATOM 948 CB PHE A 819 26.501 0.838 -35.103 1.00 55.45 C ATOM 949 CG PHE A 819 26.671 0.542 -36.562 1.00 59.22 C ATOM 950 CD1 PHE A 819 27.356 -0.587 -36.978 1.00 51.43 C ATOM 951 CD2 PHE A 819 26.131 1.384 -37.519 1.00 60.27 C ATOM 952 CE1 PHE A 819 27.507 -0.866 -38.324 1.00 56.73 C ATOM 953 CE2 PHE A 819 26.280 1.112 -38.865 1.00 65.50 C ATOM 954 CZ PHE A 819 26.970 -0.014 -39.268 1.00 53.78 C ATOM 955 H PHE A 819 26.489 1.503 -32.664 1.00 0.00 H ATOM 956 N PHE A 820 27.148 3.899 -35.069 1.00 46.48 N ATOM 957 CA PHE A 820 27.358 5.155 -35.779 1.00 40.47 C ATOM 958 C PHE A 820 28.735 5.734 -35.480 1.00 43.96 C ATOM 959 O PHE A 820 29.512 6.024 -36.397 1.00 42.48 O ATOM 960 CB PHE A 820 26.264 6.152 -35.405 1.00 53.86 C ATOM 961 CG PHE A 820 26.558 7.557 -35.836 1.00 44.70 C ATOM 962 CD1 PHE A 820 26.748 7.857 -37.173 1.00 60.94 C ATOM 963 CD2 PHE A 820 26.638 8.578 -34.907 1.00 59.15 C ATOM 964 CE1 PHE A 820 27.019 9.149 -37.573 1.00 65.10 C ATOM 965 CE2 PHE A 820 26.906 9.872 -35.302 1.00 52.34 C ATOM 966 CZ PHE A 820 27.096 10.158 -36.635 1.00 48.78 C ATOM 967 H PHE A 820 26.341 3.802 -34.420 1.00 0.00 H ATOM 968 N PHE A 821 29.055 5.918 -34.197 1.00 49.54 N ATOM 969 CA PHE A 821 30.341 6.508 -33.843 1.00 57.03 C ATOM 970 C PHE A 821 31.494 5.675 -34.389 1.00 44.36 C ATOM 971 O PHE A 821 32.521 6.221 -34.806 1.00 47.75 O ATOM 972 CB PHE A 821 30.445 6.669 -32.326 1.00 53.75 C ATOM 973 CG PHE A 821 29.682 7.853 -31.787 1.00 53.24 C ATOM 974 CD1 PHE A 821 29.884 9.122 -32.308 1.00 50.67 C ATOM 975 CD2 PHE A 821 28.758 7.695 -30.767 1.00 42.02 C ATOM 976 CE1 PHE A 821 29.184 10.209 -31.819 1.00 54.76 C ATOM 977 CE2 PHE A 821 28.056 8.781 -30.275 1.00 50.67 C ATOM 978 CZ PHE A 821 28.269 10.038 -30.802 1.00 54.83 C ATOM 979 H PHE A 821 28.387 5.641 -33.450 1.00 0.00 H ATOM 980 N SER A 822 31.343 4.349 -34.406 1.00 42.25 N ATOM 981 CA SER A 822 32.369 3.505 -35.007 1.00 53.90 C ATOM 982 C SER A 822 32.519 3.811 -36.492 1.00 56.95 C ATOM 983 O SER A 822 33.639 3.941 -37.000 1.00 53.25 O ATOM 984 CB SER A 822 32.026 2.031 -34.788 1.00 55.02 C ATOM 985 OG SER A 822 32.061 1.703 -33.410 1.00 62.50 O ATOM 986 HG SER A 822 31.403 2.259 -32.923 1.00 0.00 H ATOM 987 H SER A 822 30.493 3.917 -33.990 1.00 0.00 H ATOM 988 N LYS A 823 31.398 3.943 -37.203 1.00 60.70 N ATOM 989 CA LYS A 823 31.458 4.259 -38.626 1.00 50.48 C ATOM 990 C LYS A 823 32.092 5.623 -38.861 1.00 54.36 C ATOM 991 O LYS A 823 32.834 5.812 -39.832 1.00 49.99 O ATOM 992 CB LYS A 823 30.055 4.210 -39.229 1.00 45.32 C ATOM 993 CG LYS A 823 29.424 2.829 -39.217 1.00 63.61 C ATOM 994 CD LYS A 823 30.159 1.870 -40.139 1.00 66.92 C ATOM 995 CE LYS A 823 30.650 0.642 -39.392 1.00 73.82 C ATOM 996 NZ LYS A 823 31.146 -0.405 -40.325 1.00 73.93 N ATOM 997 HZ1 LYS A 823 30.376 -0.694 -40.961 1.00 0.00 H ATOM 998 HZ2 LYS A 823 31.935 -0.023 -40.885 1.00 0.00 H ATOM 999 HZ3 LYS A 823 31.473 -1.228 -39.779 1.00 0.00 H ATOM 1000 H LYS A 823 30.475 3.820 -36.740 1.00 0.00 H ATOM 1001 N ILE A 824 31.807 6.592 -37.988 1.00 58.70 N ATOM 1002 CA ILE A 824 32.420 7.910 -38.119 1.00 55.32 C ATOM 1003 C ILE A 824 33.935 7.803 -38.003 1.00 67.08 C ATOM 1004 O ILE A 824 34.678 8.511 -38.693 1.00 62.50 O ATOM 1005 CB ILE A 824 31.841 8.878 -37.069 1.00 56.12 C ATOM 1006 CG1 ILE A 824 30.386 9.230 -37.397 1.00 58.10 C ATOM 1007 CG2 ILE A 824 32.690 10.138 -36.977 1.00 58.06 C ATOM 1008 CD1 ILE A 824 30.216 10.092 -38.635 1.00 66.73 C ATOM 1009 H ILE A 824 31.143 6.406 -37.209 1.00 0.00 H ATOM 1010 N LYS A 825 34.418 6.916 -37.130 1.00 62.09 N ATOM 1011 CA LYS A 825 35.858 6.777 -36.937 1.00 68.59 C ATOM 1012 C LYS A 825 36.509 6.092 -38.133 1.00 72.47 C ATOM 1013 O LYS A 825 37.548 6.544 -38.629 1.00 72.53 O ATOM 1014 CB LYS A 825 36.141 6.002 -35.648 1.00 70.21 C ATOM 1015 CG LYS A 825 37.622 5.863 -35.304 1.00 79.02 C ATOM 1016 CD LYS A 825 38.311 7.218 -35.201 1.00 96.42 C ATOM 1017 CE LYS A 825 39.764 7.081 -34.767 1.00104.14 C ATOM 1018 NZ LYS A 825 39.896 6.691 -33.335 1.00 88.26 N ATOM 1019 HZ1 LYS A 825 39.449 7.415 -32.737 1.00 0.00 H ATOM 1020 HZ2 LYS A 825 39.427 5.775 -33.182 1.00 0.00 H ATOM 1021 HZ3 LYS A 825 40.904 6.611 -33.090 1.00 0.00 H ATOM 1022 H LYS A 825 33.764 6.320 -36.584 1.00 0.00 H ATOM 1023 N GLU A 826 35.912 4.996 -38.612 1.00 64.98 N ATOM 1024 CA GLU A 826 36.470 4.284 -39.757 1.00 72.57 C ATOM 1025 C GLU A 826 36.721 5.214 -40.935 1.00 73.78 C ATOM 1026 O GLU A 826 37.689 5.027 -41.681 1.00 79.34 O ATOM 1027 CB GLU A 826 35.530 3.156 -40.189 1.00 72.59 C ATOM 1028 CG GLU A 826 35.338 2.059 -39.157 1.00 84.18 C ATOM 1029 CD GLU A 826 34.517 0.900 -39.690 1.00 91.49 C ATOM 1030 OE1 GLU A 826 34.076 0.058 -38.879 1.00 82.61 O ATOM 1031 OE2 GLU A 826 34.312 0.831 -40.921 1.00 86.93 O ATOM 1032 H GLU A 826 35.041 4.647 -38.164 1.00 0.00 H ATOM 1033 N ALA A 827 35.867 6.216 -41.121 1.00 73.99 N ATOM 1034 CA ALA A 827 35.971 7.127 -42.251 1.00 76.85 C ATOM 1035 C ALA A 827 36.898 8.306 -41.988 1.00 78.03 C ATOM 1036 O ALA A 827 37.109 9.121 -42.892 1.00 84.37 O ATOM 1037 CB ALA A 827 34.581 7.651 -42.628 1.00 79.04 C ATOM 1038 H ALA A 827 35.098 6.353 -40.435 1.00 0.00 H ATOM 1039 N GLY A 828 37.455 8.420 -40.784 1.00 77.23 N ATOM 1040 CA GLY A 828 38.255 9.582 -40.453 1.00 91.68 C ATOM 1041 C GLY A 828 37.531 10.894 -40.634 1.00 95.61 C ATOM 1042 O GLY A 828 38.173 11.945 -40.710 1.00 95.04 O ATOM 1043 H GLY A 828 37.315 7.670 -40.077 1.00 0.00 H ATOM 1044 N LEU A 829 36.202 10.862 -40.705 1.00 99.86 N ATOM 1045 CA LEU A 829 35.422 12.070 -40.934 1.00105.23 C ATOM 1046 C LEU A 829 35.718 13.098 -39.852 1.00101.19 C ATOM 1047 O LEU A 829 35.561 12.822 -38.658 1.00 86.44 O ATOM 1048 CB LEU A 829 33.934 11.730 -40.960 1.00 88.92 C ATOM 1049 CG LEU A 829 32.983 12.878 -41.301 1.00 89.75 C ATOM 1050 CD1 LEU A 829 33.224 13.378 -42.717 1.00 76.08 C ATOM 1051 CD2 LEU A 829 31.538 12.439 -41.119 1.00 81.85 C ATOM 1052 H LEU A 829 35.709 9.953 -40.594 1.00 0.00 H ATOM 1053 N ILE A 830 36.145 14.289 -40.276 1.00104.20 N ATOM 1054 CA ILE A 830 36.555 15.345 -39.359 1.00108.80 C ATOM 1055 C ILE A 830 36.158 16.689 -39.949 1.00107.10 C ATOM 1056 O ILE A 830 35.924 16.825 -41.153 1.00111.14 O ATOM 1057 CB ILE A 830 38.076 15.293 -39.077 1.00109.81 C ATOM 1058 CG1 ILE A 830 38.459 16.304 -37.994 1.00108.01 C ATOM 1059 CG2 ILE A 830 38.864 15.548 -40.357 1.00100.71 C ATOM 1060 CD1 ILE A 830 39.720 15.936 -37.242 1.00101.87 C ATOM 1061 H ILE A 830 36.187 14.471 -41.299 1.00 0.00 H ATOM 1062 N ASP A 831 36.075 17.691 -39.080 1.00 97.88 N ATOM 1063 CA ASP A 831 35.689 19.037 -39.482 1.00107.05 C ATOM 1064 C ASP A 831 36.776 19.691 -40.329 1.00 98.11 C ATOM 1065 O ASP A 831 37.226 19.125 -41.326 1.00 90.84 O ATOM 1066 CB ASP A 831 35.399 19.892 -38.247 1.00108.99 C ATOM 1067 CG ASP A 831 34.189 19.406 -37.474 1.00111.84 C ATOM 1068 OD1 ASP A 831 33.077 19.410 -38.044 1.00 95.86 O ATOM 1069 OD2 ASP A 831 34.350 19.007 -36.301 1.00102.27 O ATOM 1070 H ASP A 831 36.293 17.508 -38.080 1.00 0.00 H TER 1071 ASP A 831 HETATM 1072 O HOH 1 10.974 3.447 -38.617 1.00 49.14 O HETATM 1073 O HOH 2 30.540 2.379 -48.831 1.00 53.80 O HETATM 1074 O HOH 3 11.732 12.007 -33.687 1.00 47.25 O HETATM 1075 O HOH 4 11.330 7.430 -36.155 1.00 48.90 O HETATM 1076 O HOH 5 13.003 9.341 -34.945 1.00 51.92 O HETATM 1077 O HOH 6 11.864 9.294 -30.613 1.00 48.32 O HETATM 1078 O HOH 7 21.805 6.079 -21.896 1.00 60.41 O HETATM 1079 O HOH 8 23.960 16.961 -48.054 1.00 63.04 O HETATM 1080 O HOH 9 10.011 8.682 -21.045 1.00 56.48 O HETATM 1081 O HOH 10 21.507 17.445 -32.017 1.00 55.43 O HETATM 1082 O HOH 11 13.850 9.232 -32.394 1.00 52.80 O HETATM 1083 O HOH 12 25.564 4.404 -27.079 1.00 50.30 O HETATM 1084 O HOH 13 19.656 21.820 -48.753 1.00 49.41 O HETATM 1085 O HOH 14 30.954 21.187 -48.351 1.00 64.49 O HETATM 1086 O HOH 15 19.480 19.889 -33.578 1.00 69.44 O HETATM 1087 O HOH 16 26.566 -1.553 -31.638 1.00 51.86 O HETATM 1088 O HOH 17 19.909 22.177 -53.208 1.00 63.30 O HETATM 1089 O HOH 18 5.718 2.695 -32.977 1.00 57.40 O HETATM 1090 O HOH 19 17.976 18.513 -35.949 1.00 61.69 O HETATM 1091 O HOH 20 20.694 16.372 -29.824 1.00 63.22 O HETATM 1092 O HOH 21 21.263 -1.130 -25.593 1.00 65.19 O HETATM 1093 O HOH 22 27.145 13.903 -31.853 1.00 53.62 O HETATM 1094 O HOH 23 9.825 11.863 -36.000 1.00 54.99 O HETATM 1095 O HOH 24 38.467 23.678 -41.436 1.00 71.29 O HETATM 1096 C10 B A 4 6.782 5.053 -28.729 1.00 0.10 C HETATM 1097 C09 B A 4 6.429 4.618 -30.002 1.00 0.05 C HETATM 1098 C07 B A 4 7.538 4.919 -30.843 1.00 0.19 C HETATM 1099 C06 B A 4 8.476 5.508 -30.037 1.00 0.28 C HETATM 1100 C04 B A 4 9.699 5.920 -30.614 1.00 0.30 C HETATM 1101 N03 B A 4 9.910 5.728 -31.905 1.00 -0.23 N HETATM 1102 C02 B A 4 8.984 5.153 -32.678 1.00 0.19 C HETATM 1103 N01 B A 4 9.239 4.955 -34.095 1.00 -0.32 N HETATM 1104 C13 B A 4 8.135 4.462 -34.988 1.00 0.08 C HETATM 1105 C14 B A 4 8.338 5.026 -36.411 1.00 -0.01 C HETATM 1106 N15 B A 4 7.362 4.508 -37.328 1.00 0.23 N HETATM 1107 C16 B A 4 7.332 3.058 -37.335 1.00 -0.03 C HETATM 1108 C17 B A 4 7.176 2.472 -35.915 1.00 -0.01 C HETATM 1109 C18 B A 4 8.138 3.010 -34.990 1.00 -0.02 C HETATM 1110 H15 B A 4 7.896 2.653 -33.978 1.00 0.03 H HETATM 1111 H16 B A 4 9.140 2.657 -35.274 1.00 0.03 H HETATM 1112 H3 B A 4 7.308 1.381 -35.967 1.00 0.03 H HETATM 1113 H4 B A 4 6.165 2.702 -35.547 1.00 0.03 H HETATM 1114 H13 B A 4 6.484 2.724 -37.951 1.00 0.08 H HETATM 1115 H14 B A 4 8.271 2.686 -37.771 1.00 0.08 H HETATM 1116 C19 B A 4 7.538 4.942 -38.441 1.00 -0.04 C HETATM 1117 H17 B A 4 7.556 6.041 -38.407 1.00 0.08 H HETATM 1118 H18 B A 4 6.721 4.609 -39.098 1.00 0.08 H HETATM 1119 H19 B A 4 8.497 4.571 -38.832 1.00 0.08 H HETATM 1120 H21 B A 4 6.458 4.826 -37.016 1.00 0.20 H HETATM 1121 H11 B A 4 9.342 4.750 -36.765 1.00 0.08 H HETATM 1122 H12 B A 4 8.250 6.122 -36.377 1.00 0.08 H HETATM 1123 H2 B A 4 7.168 4.816 -34.600 1.00 0.06 H HETATM 1124 H5 B A 4 10.172 5.152 -34.485 1.00 0.18 H HETATM 1125 N08 B A 4 7.813 4.750 -32.172 1.00 -0.25 N HETATM 1126 H20 B A 4 7.114 4.310 -32.787 1.00 0.23 H HETATM 1127 C12 B A 4 11.165 6.149 -32.502 1.00 0.02 C HETATM 1128 H8 B A 4 11.159 5.909 -33.576 1.00 0.05 H HETATM 1129 H9 B A 4 11.998 5.623 -32.014 1.00 0.05 H HETATM 1130 H10 B A 4 11.289 7.234 -32.369 1.00 0.05 H HETATM 1131 O05 B A 4 10.523 6.431 -29.930 1.00 -0.34 O HETATM 1132 N11 B A 4 7.999 5.578 -28.764 1.00 -0.18 N HETATM 1133 H7 B A 4 8.502 5.975 -27.958 1.00 0.27 H HETATM 1134 H6 B A 4 5.494 4.143 -30.296 1.00 0.06 H HETATM 1135 H1 B A 4 6.156 4.975 -27.841 1.00 0.16 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1096 1097 1132 1135 CONECT 1097 1096 1098 1134 CONECT 1098 1097 1099 1125 CONECT 1099 1098 1100 1132 CONECT 1100 1099 1101 1131 CONECT 1101 1100 1102 1127 CONECT 1102 1101 1103 1125 CONECT 1103 1102 1104 1124 CONECT 1104 1103 1105 1109 1123 CONECT 1105 1104 1106 1121 1122 CONECT 1106 1105 1107 1116 1120 CONECT 1107 1106 1108 1114 1115 CONECT 1108 1107 1109 1112 1113 CONECT 1109 1104 1108 1110 1111 CONECT 1110 1109 CONECT 1111 1109 CONECT 1112 1108 CONECT 1113 1108 CONECT 1114 1107 CONECT 1115 1107 CONECT 1116 1106 1117 1118 1119 CONECT 1117 1116 CONECT 1118 1116 CONECT 1119 1116 CONECT 1120 1106 CONECT 1121 1105 CONECT 1122 1105 CONECT 1123 1104 CONECT 1124 1103 CONECT 1125 1098 1102 1126 CONECT 1126 1125 CONECT 1127 1101 1128 1129 1130 CONECT 1128 1127 CONECT 1129 1127 CONECT 1130 1127 CONECT 1131 1100 CONECT 1132 1096 1099 1133 CONECT 1133 1132 CONECT 1134 1097 CONECT 1135 1096 MASTER 0 0 0 0 0 0 0 0 1134 1 44 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6j3o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1wug
RCSB PDB
PDBbind
118aa, >1WUG_1|Chain... at 96%
1wum
RCSB PDB
PDBbind
118aa, >1WUM_1|Chain... at 96%
5fdz
RCSB PDB
PDBbind
119aa, >5FDZ_1|Chains... at 100%
5fe6
RCSB PDB
PDBbind
119aa, >5FE6_1|Chains... at 100%
5fe7
RCSB PDB
PDBbind
119aa, >5FE7_1|Chains... at 100%
5fe9
RCSB PDB
PDBbind
119aa, >5FE9_1|Chains... at 100%
5lvq
RCSB PDB
PDBbind
119aa, >5LVQ_1|Chains... at 100%
5lvr
RCSB PDB
PDBbind
119aa, >5LVR_1|Chains... at 100%
5mkx
RCSB PDB
PDBbind
119aa, >5MKX_1|Chains... at 100%
5ml0
RCSB PDB
PDBbind
110aa, >5ML0_1|Chain... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6j3o
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
PCAF
Ligand Name
B4L
EC.Number
E.C.-.-.-.-
Resolution
2.11(Å)
Affinity (Kd/Ki/IC50)
Kd=2.4uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 4526-4542
Ligand Properties
Formula
C
1
3
H
2
1
N
5
O
Molecular Weight
263.339
Exact Mass
263.175
No. of atoms
40
No. of bonds
42
Polar Surface Area
71.99
LOGP Value
0.12 (
Computed with XLOGP3
)
-1.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
C[N@H+]1CCC[C@H](C1)/[NH+]=c/1\[nH]c2cc[nH]c2c(=O)n1C
InChI String
InChI=1S/C13H19N5O/c1-17-7-3-4-9(8-17)15-13-16-10-5-6-14-11(10)12(19)18(13)2/h5-6,9,14H,3-4,7-8H2,1-2H3,(H,15,16)/p+2/t9-/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):
Q92831
Entrez Gene ID
NCBI Entrez Gene ID:
8850
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓