Browse entries in the PDBbind-CN Database
HEADER 5HRV_COMPLEX COMPND 5HRV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 SER LYS TYR MET THR PRO MET GLN GLN LYS LEU ASN GLU SEQRES 2 A 115 VAL TYR GLU ALA VAL LYS ASN TYR THR ASP LYS ARG GLY SEQRES 3 A 115 ARG ARG LEU SER ALA ILE PHE LEU ARG LEU PRO SER ARG SEQRES 4 A 115 SER GLU LEU PRO ASP TYR TYR LEU THR ILE LYS LYS PRO SEQRES 5 A 115 MET ASP MET GLU LYS ILE ARG SER HIS MET MET ALA ASN SEQRES 6 A 115 LYS TYR GLN ASP ILE ASP SER MET VAL GLU ASP PHE VAL SEQRES 7 A 115 MET MET PHE ASN ASN ALA CYS THR TYR ASN GLU PRO GLU SEQRES 8 A 115 SER LEU ILE TYR LYS ASP ALA LEU VAL LEU HIS LYS VAL SEQRES 9 A 115 LEU LEU GLU THR ARG ARG ASP LEU GLU GLY ASP HET UNN A 215 26 ATOM 1 N SER A 652 9.949 -3.626 8.576 1.00 56.92 N ATOM 2 CA SER A 652 10.350 -2.772 9.735 1.00 54.47 C ATOM 3 C SER A 652 11.734 -2.170 9.504 1.00 53.76 C ATOM 4 O SER A 652 11.904 -0.966 9.613 1.00 54.03 O ATOM 5 CB SER A 652 10.302 -3.553 11.038 1.00 56.86 C ATOM 6 OG SER A 652 10.274 -2.683 12.144 1.00 54.49 O ATOM 7 HG SER A 652 10.243 -3.214 12.979 1.00 0.00 H ATOM 8 HN3 SER A 652 10.638 -4.397 8.460 1.00 0.00 H ATOM 9 HN2 SER A 652 9.926 -3.047 7.712 1.00 0.00 H ATOM 10 HN1 SER A 652 9.005 -4.026 8.752 1.00 0.00 H ATOM 11 N LYS A 653 12.722 -3.006 9.187 1.00 46.29 N ATOM 12 CA LYS A 653 13.946 -2.545 8.495 1.00 44.93 C ATOM 13 C LYS A 653 13.627 -1.825 7.194 1.00 37.34 C ATOM 14 O LYS A 653 14.345 -0.924 6.797 1.00 38.67 O ATOM 15 CB LYS A 653 14.815 -3.737 8.058 1.00 48.88 C ATOM 16 CG LYS A 653 15.902 -4.165 9.017 1.00 50.87 C ATOM 17 CD LYS A 653 17.038 -4.846 8.263 1.00 47.52 C ATOM 18 CE LYS A 653 16.599 -5.974 7.329 1.00 44.69 C ATOM 19 NZ LYS A 653 17.791 -6.751 6.876 1.00 41.73 N ATOM 20 HZ1 LYS A 653 18.443 -6.119 6.369 1.00 0.00 H ATOM 21 HZ2 LYS A 653 18.273 -7.157 7.703 1.00 0.00 H ATOM 22 HZ3 LYS A 653 17.484 -7.516 6.242 1.00 0.00 H ATOM 23 H LYS A 653 12.630 -4.012 9.433 1.00 0.00 H ATOM 24 N TYR A 654 12.603 -2.299 6.493 1.00 31.75 N ATOM 25 CA TYR A 654 12.369 -1.945 5.110 1.00 30.89 C ATOM 26 C TYR A 654 11.495 -0.703 5.013 1.00 32.53 C ATOM 27 O TYR A 654 10.374 -0.706 5.498 1.00 32.61 O ATOM 28 CB TYR A 654 11.675 -3.093 4.376 1.00 30.71 C ATOM 29 CG TYR A 654 12.454 -4.404 4.427 1.00 31.40 C ATOM 30 CD1 TYR A 654 13.706 -4.503 3.834 1.00 31.68 C ATOM 31 CD2 TYR A 654 11.933 -5.531 5.044 1.00 33.36 C ATOM 32 CE1 TYR A 654 14.428 -5.680 3.869 1.00 32.96 C ATOM 33 CE2 TYR A 654 12.648 -6.732 5.077 1.00 33.47 C ATOM 34 CZ TYR A 654 13.898 -6.791 4.482 1.00 33.45 C ATOM 35 OH TYR A 654 14.651 -7.955 4.472 1.00 34.52 O ATOM 36 HH TYR A 654 15.506 -7.789 4.001 1.00 0.00 H ATOM 37 H TYR A 654 11.941 -2.953 6.958 1.00 0.00 H ATOM 38 N MET A 655 11.993 0.317 4.331 1.00 30.70 N ATOM 39 CA MET A 655 11.248 1.564 4.125 1.00 31.69 C ATOM 40 C MET A 655 10.326 1.416 2.934 1.00 28.67 C ATOM 41 O MET A 655 10.659 0.767 1.940 1.00 24.87 O ATOM 42 CB MET A 655 12.204 2.737 3.842 1.00 32.31 C ATOM 43 CG MET A 655 13.014 3.236 5.027 1.00 37.34 C ATOM 44 SD MET A 655 13.959 4.713 4.544 1.00 38.84 S ATOM 45 CE MET A 655 15.311 4.070 3.567 1.00 40.20 C ATOM 46 H MET A 655 12.947 0.231 3.927 1.00 0.00 H ATOM 47 N THR A 656 9.171 2.079 2.981 1.00 26.21 N ATOM 48 CA THR A 656 8.341 2.209 1.791 1.00 23.92 C ATOM 49 C THR A 656 9.026 3.038 0.726 1.00 24.25 C ATOM 50 O THR A 656 9.983 3.797 1.052 1.00 26.77 O ATOM 51 CB THR A 656 6.975 2.879 2.107 1.00 28.63 C ATOM 52 OG1 THR A 656 7.228 4.253 2.488 1.00 27.76 O ATOM 53 CG2 THR A 656 6.249 2.162 3.220 1.00 28.92 C ATOM 54 HG1 THR A 656 6.369 4.700 2.694 1.00 0.00 H ATOM 55 H THR A 656 8.859 2.508 3.876 1.00 0.00 H ATOM 56 N PRO A 657 8.564 2.956 -0.528 1.00 24.49 N ATOM 57 CA PRO A 657 9.114 3.775 -1.589 1.00 25.28 C ATOM 58 C PRO A 657 9.104 5.294 -1.261 1.00 26.91 C ATOM 59 O PRO A 657 10.101 5.955 -1.502 1.00 24.78 O ATOM 60 CB PRO A 657 8.239 3.454 -2.778 1.00 29.18 C ATOM 61 CG PRO A 657 7.818 2.038 -2.536 1.00 28.13 C ATOM 62 CD PRO A 657 7.616 1.937 -1.075 1.00 28.67 C ATOM 63 N MET A 658 7.996 5.805 -0.712 1.00 26.69 N ATOM 64 CA MET A 658 7.930 7.224 -0.297 1.00 27.98 C ATOM 65 C MET A 658 8.981 7.544 0.760 1.00 25.05 C ATOM 66 O MET A 658 9.672 8.596 0.642 1.00 24.36 O ATOM 67 CB MET A 658 6.535 7.618 0.253 1.00 28.74 C ATOM 68 CG MET A 658 6.426 9.140 0.570 1.00 32.05 C ATOM 69 SD MET A 658 6.651 10.151 -0.886 1.00 38.42 S ATOM 70 CE MET A 658 5.011 9.982 -1.614 1.00 42.28 C ATOM 71 H MET A 658 7.166 5.194 -0.574 1.00 0.00 H ATOM 72 N GLN A 659 9.143 6.648 1.733 1.00 24.88 N ATOM 73 CA GLN A 659 10.138 6.831 2.796 1.00 24.44 C ATOM 74 C GLN A 659 11.558 6.825 2.211 1.00 25.14 C ATOM 75 O GLN A 659 12.392 7.640 2.573 1.00 21.67 O ATOM 76 CB GLN A 659 10.016 5.810 3.884 1.00 27.14 C ATOM 77 CG GLN A 659 8.732 5.924 4.666 1.00 28.73 C ATOM 78 CD GLN A 659 8.457 4.745 5.562 1.00 32.22 C ATOM 79 OE1 GLN A 659 9.028 3.640 5.423 1.00 30.39 O ATOM 80 NE2 GLN A 659 7.543 4.969 6.496 1.00 35.70 N ATOM 81 HE22 GLN A 659 7.096 5.905 6.572 1.00 0.00 H ATOM 82 HE21 GLN A 659 7.273 4.209 7.152 1.00 0.00 H ATOM 83 H GLN A 659 8.548 5.795 1.739 1.00 0.00 H ATOM 84 N GLN A 660 11.817 5.900 1.281 1.00 23.05 N ATOM 85 CA GLN A 660 13.121 5.881 0.603 1.00 22.92 C ATOM 86 C GLN A 660 13.410 7.157 -0.170 1.00 23.34 C ATOM 87 O GLN A 660 14.540 7.662 -0.117 1.00 22.88 O ATOM 88 CB GLN A 660 13.225 4.669 -0.335 1.00 23.77 C ATOM 89 CG GLN A 660 13.214 3.337 0.376 1.00 24.25 C ATOM 90 CD GLN A 660 13.081 2.219 -0.626 1.00 24.63 C ATOM 91 OE1 GLN A 660 13.928 2.082 -1.504 1.00 25.85 O ATOM 92 NE2 GLN A 660 11.962 1.514 -0.582 1.00 25.35 N ATOM 93 HE22 GLN A 660 11.278 1.671 0.186 1.00 0.00 H ATOM 94 HE21 GLN A 660 11.766 0.803 -1.315 1.00 0.00 H ATOM 95 H GLN A 660 11.095 5.193 1.037 1.00 0.00 H ATOM 96 N LYS A 661 12.394 7.698 -0.853 1.00 22.11 N ATOM 97 CA LYS A 661 12.536 8.911 -1.630 1.00 23.50 C ATOM 98 C LYS A 661 12.782 10.124 -0.706 1.00 21.93 C ATOM 99 O LYS A 661 13.686 10.929 -0.977 1.00 22.17 O ATOM 100 CB LYS A 661 11.331 9.129 -2.555 1.00 26.37 C ATOM 101 CG LYS A 661 11.579 10.170 -3.632 1.00 32.32 C ATOM 102 CD LYS A 661 10.495 10.113 -4.709 1.00 35.29 C ATOM 103 CE LYS A 661 10.640 11.264 -5.672 1.00 38.98 C ATOM 104 NZ LYS A 661 9.528 11.331 -6.672 1.00 37.75 N ATOM 105 HZ1 LYS A 661 9.510 10.452 -7.228 1.00 0.00 H ATOM 106 HZ2 LYS A 661 8.622 11.446 -6.174 1.00 0.00 H ATOM 107 HZ3 LYS A 661 9.682 12.141 -7.306 1.00 0.00 H ATOM 108 H LYS A 661 11.466 7.229 -0.824 1.00 0.00 H ATOM 109 N LEU A 662 12.042 10.196 0.384 1.00 21.74 N ATOM 110 CA LEU A 662 12.256 11.276 1.368 1.00 21.74 C ATOM 111 C LEU A 662 13.694 11.224 1.889 1.00 22.66 C ATOM 112 O LEU A 662 14.362 12.239 2.016 1.00 20.78 O ATOM 113 CB LEU A 662 11.319 11.128 2.559 1.00 22.98 C ATOM 114 CG LEU A 662 9.840 11.508 2.283 1.00 24.22 C ATOM 115 CD1 LEU A 662 8.912 10.895 3.304 1.00 25.26 C ATOM 116 CD2 LEU A 662 9.687 13.044 2.209 1.00 24.69 C ATOM 117 H LEU A 662 11.301 9.486 0.552 1.00 0.00 H ATOM 118 N ASN A 663 14.146 10.028 2.262 1.00 21.34 N ATOM 119 CA ASN A 663 15.480 9.879 2.767 1.00 22.58 C ATOM 120 C ASN A 663 16.549 10.265 1.746 1.00 20.00 C ATOM 121 O ASN A 663 17.529 10.909 2.122 1.00 19.62 O ATOM 122 CB ASN A 663 15.684 8.438 3.255 1.00 23.06 C ATOM 123 CG ASN A 663 16.963 8.274 4.017 1.00 27.35 C ATOM 124 OD1 ASN A 663 17.094 8.745 5.143 1.00 32.65 O ATOM 125 ND2 ASN A 663 17.900 7.572 3.419 1.00 30.25 N ATOM 126 HD22 ASN A 663 17.737 7.195 2.463 1.00 0.00 H ATOM 127 HD21 ASN A 663 18.804 7.393 3.902 1.00 0.00 H ATOM 128 H ASN A 663 13.527 9.196 2.186 1.00 0.00 H ATOM 129 N GLU A 664 16.352 9.929 0.469 1.00 19.96 N ATOM 130 CA GLU A 664 17.295 10.220 -0.571 1.00 20.20 C ATOM 131 C GLU A 664 17.437 11.739 -0.794 1.00 21.44 C ATOM 132 O GLU A 664 18.538 12.254 -0.986 1.00 20.63 O ATOM 133 CB GLU A 664 16.918 9.510 -1.888 1.00 24.06 C ATOM 134 CG GLU A 664 17.988 9.702 -2.954 1.00 26.52 C ATOM 135 CD GLU A 664 17.941 8.679 -4.113 1.00 31.66 C ATOM 136 OE1 GLU A 664 17.168 7.701 -4.054 1.00 33.43 O ATOM 137 OE2 GLU A 664 18.690 8.882 -5.095 1.00 32.17 O ATOM 138 H GLU A 664 15.473 9.433 0.217 1.00 0.00 H ATOM 139 N VAL A 665 16.315 12.439 -0.767 1.00 20.53 N ATOM 140 CA VAL A 665 16.332 13.907 -0.877 1.00 21.28 C ATOM 141 C VAL A 665 17.050 14.529 0.318 1.00 18.72 C ATOM 142 O VAL A 665 17.921 15.401 0.137 1.00 19.80 O ATOM 143 CB VAL A 665 14.902 14.473 -1.032 1.00 21.99 C ATOM 144 CG1 VAL A 665 14.890 16.009 -0.957 1.00 23.32 C ATOM 145 CG2 VAL A 665 14.305 14.019 -2.344 1.00 23.14 C ATOM 146 H VAL A 665 15.406 11.944 -0.666 1.00 0.00 H ATOM 147 N TYR A 666 16.677 14.112 1.523 1.00 19.87 N ATOM 148 CA TYR A 666 17.288 14.612 2.740 1.00 18.18 C ATOM 149 C TYR A 666 18.808 14.395 2.684 1.00 19.55 C ATOM 150 O TYR A 666 19.615 15.295 2.946 1.00 18.19 O ATOM 151 CB TYR A 666 16.706 13.945 3.987 1.00 18.67 C ATOM 152 CG TYR A 666 17.307 14.497 5.231 1.00 18.98 C ATOM 153 CD1 TYR A 666 16.770 15.624 5.846 1.00 19.71 C ATOM 154 CD2 TYR A 666 18.463 13.940 5.781 1.00 20.05 C ATOM 155 CE1 TYR A 666 17.357 16.172 6.966 1.00 20.06 C ATOM 156 CE2 TYR A 666 19.047 14.478 6.919 1.00 21.69 C ATOM 157 CZ TYR A 666 18.496 15.610 7.498 1.00 21.40 C ATOM 158 OH TYR A 666 19.090 16.164 8.621 1.00 23.98 O ATOM 159 HH TYR A 666 19.098 15.496 9.352 1.00 0.00 H ATOM 160 H TYR A 666 15.920 13.402 1.596 1.00 0.00 H ATOM 161 N GLU A 667 19.195 13.160 2.373 1.00 19.36 N ATOM 162 CA GLU A 667 20.637 12.846 2.344 1.00 19.68 C ATOM 163 C GLU A 667 21.399 13.600 1.266 1.00 18.88 C ATOM 164 O GLU A 667 22.581 13.908 1.464 1.00 19.73 O ATOM 165 CB GLU A 667 20.812 11.319 2.206 1.00 21.19 C ATOM 166 CG GLU A 667 20.397 10.577 3.483 1.00 24.15 C ATOM 167 CD GLU A 667 21.378 10.727 4.636 1.00 31.59 C ATOM 168 OE1 GLU A 667 22.585 10.473 4.418 1.00 37.35 O ATOM 169 OE2 GLU A 667 20.950 11.084 5.770 1.00 37.37 O ATOM 170 H GLU A 667 18.491 12.426 2.153 1.00 0.00 H ATOM 171 N ALA A 668 20.764 13.871 0.112 1.00 17.83 N ATOM 172 CA ALA A 668 21.416 14.601 -0.957 1.00 18.70 C ATOM 173 C ALA A 668 21.822 16.002 -0.478 1.00 17.24 C ATOM 174 O ALA A 668 22.942 16.449 -0.746 1.00 18.21 O ATOM 175 CB ALA A 668 20.538 14.695 -2.168 1.00 20.39 C ATOM 176 H ALA A 668 19.783 13.550 -0.016 1.00 0.00 H ATOM 177 N VAL A 669 20.916 16.638 0.263 1.00 16.23 N ATOM 178 CA VAL A 669 21.201 17.964 0.822 1.00 16.71 C ATOM 179 C VAL A 669 22.262 17.840 1.907 1.00 16.45 C ATOM 180 O VAL A 669 23.214 18.606 1.938 1.00 17.07 O ATOM 181 CB VAL A 669 19.925 18.665 1.361 1.00 17.68 C ATOM 182 CG1 VAL A 669 20.251 20.013 2.005 1.00 17.68 C ATOM 183 CG2 VAL A 669 18.908 18.853 0.237 1.00 18.92 C ATOM 184 H VAL A 669 19.996 16.189 0.447 1.00 0.00 H ATOM 185 N LYS A 670 22.064 16.922 2.838 1.00 15.94 N ATOM 186 CA LYS A 670 22.999 16.764 3.945 1.00 17.63 C ATOM 187 C LYS A 670 24.430 16.471 3.508 1.00 18.07 C ATOM 188 O LYS A 670 25.391 17.034 4.046 1.00 17.52 O ATOM 189 CB LYS A 670 22.517 15.656 4.859 1.00 20.44 C ATOM 190 CG LYS A 670 23.372 15.560 6.135 1.00 25.66 C ATOM 191 CD LYS A 670 22.878 14.473 7.065 1.00 32.80 C ATOM 192 CE LYS A 670 23.656 14.424 8.377 1.00 39.11 C ATOM 193 NZ LYS A 670 24.971 15.137 8.425 1.00 44.55 N ATOM 194 HZ1 LYS A 670 25.609 14.733 7.710 1.00 0.00 H ATOM 195 HZ2 LYS A 670 24.823 16.148 8.229 1.00 0.00 H ATOM 196 HZ3 LYS A 670 25.391 15.024 9.370 1.00 0.00 H ATOM 197 H LYS A 670 21.229 16.304 2.780 1.00 0.00 H ATOM 198 N ASN A 671 24.558 15.554 2.558 1.00 17.79 N ATOM 199 CA ASN A 671 25.882 15.037 2.175 1.00 19.28 C ATOM 200 C ASN A 671 26.620 15.852 1.128 1.00 18.44 C ATOM 201 O ASN A 671 27.799 15.561 0.876 1.00 19.92 O ATOM 202 CB ASN A 671 25.731 13.596 1.697 1.00 20.18 C ATOM 203 CG ASN A 671 25.267 12.661 2.804 1.00 22.88 C ATOM 204 OD1 ASN A 671 25.509 12.900 3.981 1.00 24.39 O ATOM 205 ND2 ASN A 671 24.595 11.590 2.421 1.00 26.18 N ATOM 206 HD22 ASN A 671 24.411 11.425 1.411 1.00 0.00 H ATOM 207 HD21 ASN A 671 24.250 10.912 3.130 1.00 0.00 H ATOM 208 H ASN A 671 23.709 15.195 2.076 1.00 0.00 H ATOM 209 N TYR A 672 25.960 16.833 0.505 1.00 16.78 N ATOM 210 CA TYR A 672 26.549 17.591 -0.588 1.00 17.08 C ATOM 211 C TYR A 672 27.880 18.225 -0.165 1.00 18.84 C ATOM 212 O TYR A 672 27.950 18.874 0.883 1.00 18.48 O ATOM 213 CB TYR A 672 25.612 18.661 -1.133 1.00 17.27 C ATOM 214 CG TYR A 672 26.281 19.501 -2.193 1.00 17.63 C ATOM 215 CD1 TYR A 672 26.390 19.037 -3.481 1.00 19.31 C ATOM 216 CD2 TYR A 672 26.907 20.711 -1.878 1.00 17.73 C ATOM 217 CE1 TYR A 672 27.040 19.753 -4.452 1.00 21.46 C ATOM 218 CE2 TYR A 672 27.577 21.436 -2.846 1.00 19.05 C ATOM 219 CZ TYR A 672 27.631 20.943 -4.141 1.00 21.35 C ATOM 220 OH TYR A 672 28.301 21.656 -5.114 1.00 23.47 O ATOM 221 HH TYR A 672 27.887 22.550 -5.211 1.00 0.00 H ATOM 222 H TYR A 672 24.993 17.062 0.812 1.00 0.00 H ATOM 223 N THR A 673 28.928 18.018 -0.962 1.00 18.28 N ATOM 224 CA THR A 673 30.203 18.686 -0.722 1.00 20.25 C ATOM 225 C THR A 673 30.635 19.421 -1.965 1.00 21.10 C ATOM 226 O THR A 673 30.396 18.964 -3.098 1.00 21.62 O ATOM 227 CB THR A 673 31.281 17.709 -0.259 1.00 23.07 C ATOM 228 OG1 THR A 673 31.435 16.704 -1.258 1.00 25.48 O ATOM 229 CG2 THR A 673 30.899 17.029 1.038 1.00 24.14 C ATOM 230 HG1 THR A 673 31.704 17.127 -2.111 1.00 0.00 H ATOM 231 H THR A 673 28.835 17.369 -1.769 1.00 0.00 H ATOM 232 N ASP A 674 31.216 20.604 -1.779 1.00 19.72 N ATOM 233 CA ASP A 674 31.660 21.381 -2.911 1.00 20.81 C ATOM 234 C ASP A 674 32.983 20.750 -3.438 1.00 23.76 C ATOM 235 O ASP A 674 33.439 19.747 -2.916 1.00 22.63 O ATOM 236 CB ASP A 674 31.796 22.867 -2.574 1.00 22.43 C ATOM 237 CG ASP A 674 32.922 23.176 -1.604 1.00 24.27 C ATOM 238 OD1 ASP A 674 33.769 22.339 -1.289 1.00 23.00 O ATOM 239 OD2 ASP A 674 32.942 24.361 -1.158 1.00 23.55 O ATOM 240 H ASP A 674 31.350 20.970 -0.815 1.00 0.00 H ATOM 241 N LYS A 675 33.586 21.385 -4.432 1.00 27.98 N ATOM 242 CA LYS A 675 34.783 20.826 -5.062 1.00 33.39 C ATOM 243 C LYS A 675 35.993 20.768 -4.142 1.00 32.39 C ATOM 244 O LYS A 675 36.895 19.974 -4.363 1.00 37.62 O ATOM 245 CB LYS A 675 35.062 21.544 -6.389 1.00 37.02 C ATOM 246 CG LYS A 675 34.135 21.045 -7.478 1.00 42.10 C ATOM 247 CD LYS A 675 34.154 21.906 -8.731 1.00 50.31 C ATOM 248 CE LYS A 675 33.171 23.072 -8.655 1.00 55.37 C ATOM 249 NZ LYS A 675 33.016 23.747 -9.973 1.00 58.88 N ATOM 250 HZ1 LYS A 675 33.938 24.115 -10.283 1.00 0.00 H ATOM 251 HZ2 LYS A 675 32.661 23.063 -10.672 1.00 0.00 H ATOM 252 HZ3 LYS A 675 32.341 24.533 -9.881 1.00 0.00 H ATOM 253 H LYS A 675 33.204 22.292 -4.769 1.00 0.00 H ATOM 254 N ARG A 676 35.995 21.558 -3.078 1.00 28.51 N ATOM 255 CA ARG A 676 37.028 21.503 -2.031 1.00 27.87 C ATOM 256 C ARG A 676 36.762 20.543 -0.882 1.00 28.15 C ATOM 257 O ARG A 676 37.540 20.446 0.064 1.00 30.57 O ATOM 258 CB ARG A 676 37.233 22.905 -1.463 1.00 29.23 C ATOM 259 CG ARG A 676 37.594 23.922 -2.537 1.00 29.40 C ATOM 260 CD ARG A 676 37.651 25.325 -1.947 1.00 28.77 C ATOM 261 NE ARG A 676 38.709 25.417 -0.939 1.00 28.45 N ATOM 262 CZ ARG A 676 38.544 25.404 0.393 1.00 26.83 C ATOM 263 NH1 ARG A 676 37.345 25.258 0.936 1.00 24.92 N ATOM 264 NH2 ARG A 676 39.610 25.504 1.192 1.00 25.88 N ATOM 265 HE ARG A 676 39.685 25.501 -1.290 1.00 0.00 H ATOM 266 HH12 ARG A 676 37.240 25.251 1.971 1.00 0.00 H ATOM 267 HH11 ARG A 676 36.508 25.151 0.328 1.00 0.00 H ATOM 268 HH22 ARG A 676 39.488 25.495 2.225 1.00 0.00 H ATOM 269 HH21 ARG A 676 40.561 25.591 0.781 1.00 0.00 H ATOM 270 H ARG A 676 35.227 22.252 -2.978 1.00 0.00 H ATOM 271 N GLY A 677 35.623 19.853 -0.910 1.00 26.48 N ATOM 272 CA GLY A 677 35.285 18.959 0.176 1.00 24.74 C ATOM 273 C GLY A 677 34.510 19.545 1.332 1.00 23.32 C ATOM 274 O GLY A 677 34.283 18.857 2.319 1.00 24.24 O ATOM 275 H GLY A 677 34.974 19.957 -1.716 1.00 0.00 H ATOM 276 N ARG A 678 34.110 20.816 1.249 1.00 19.79 N ATOM 277 CA ARG A 678 33.385 21.433 2.335 1.00 18.82 C ATOM 278 C ARG A 678 31.930 20.983 2.253 1.00 18.39 C ATOM 279 O ARG A 678 31.320 21.069 1.190 1.00 18.04 O ATOM 280 CB ARG A 678 33.506 22.952 2.249 1.00 17.30 C ATOM 281 CG ARG A 678 32.930 23.658 3.458 1.00 17.10 C ATOM 282 CD ARG A 678 33.332 25.117 3.540 1.00 17.40 C ATOM 283 NE ARG A 678 32.837 25.906 2.430 1.00 17.20 N ATOM 284 CZ ARG A 678 31.625 26.481 2.349 1.00 19.29 C ATOM 285 NH1 ARG A 678 30.751 26.378 3.331 1.00 20.46 N ATOM 286 NH2 ARG A 678 31.249 27.120 1.234 1.00 20.40 N ATOM 287 HE ARG A 678 33.478 26.040 1.622 1.00 0.00 H ATOM 288 HH12 ARG A 678 29.819 26.831 3.247 1.00 0.00 H ATOM 289 HH11 ARG A 678 30.994 25.844 4.190 1.00 0.00 H ATOM 290 HH22 ARG A 678 30.309 27.562 1.180 1.00 0.00 H ATOM 291 HH21 ARG A 678 31.897 27.174 0.422 1.00 0.00 H ATOM 292 H ARG A 678 34.323 21.368 0.393 1.00 0.00 H ATOM 293 N ARG A 679 31.410 20.520 3.381 1.00 18.50 N ATOM 294 CA ARG A 679 30.016 20.072 3.491 1.00 19.53 C ATOM 295 C ARG A 679 29.124 21.279 3.822 1.00 18.11 C ATOM 296 O ARG A 679 29.107 21.818 4.953 1.00 19.09 O ATOM 297 CB ARG A 679 29.918 18.977 4.574 1.00 22.09 C ATOM 298 CG ARG A 679 28.638 18.139 4.547 1.00 28.03 C ATOM 299 CD ARG A 679 28.820 16.941 5.498 1.00 34.70 C ATOM 300 NE ARG A 679 27.841 15.873 5.338 1.00 46.06 N ATOM 301 CZ ARG A 679 27.771 14.772 6.090 1.00 46.69 C ATOM 302 NH1 ARG A 679 28.595 14.567 7.120 1.00 54.87 N ATOM 303 NH2 ARG A 679 26.848 13.869 5.824 1.00 50.13 N ATOM 304 HE ARG A 679 27.140 15.977 4.576 1.00 0.00 H ATOM 305 HH12 ARG A 679 28.514 13.698 7.686 1.00 0.00 H ATOM 306 HH11 ARG A 679 29.318 15.276 7.357 1.00 0.00 H ATOM 307 HH22 ARG A 679 26.782 13.007 6.402 1.00 0.00 H ATOM 308 HH21 ARG A 679 26.186 14.019 5.036 1.00 0.00 H ATOM 309 H ARG A 679 32.016 20.472 4.225 1.00 0.00 H ATOM 310 N LEU A 680 28.415 21.767 2.813 1.00 16.96 N ATOM 311 CA LEU A 680 27.678 23.014 2.968 1.00 17.43 C ATOM 312 C LEU A 680 26.561 22.948 4.029 1.00 17.72 C ATOM 313 O LEU A 680 26.180 24.004 4.527 1.00 18.63 O ATOM 314 CB LEU A 680 27.082 23.483 1.642 1.00 19.57 C ATOM 315 CG LEU A 680 27.966 24.289 0.735 1.00 23.39 C ATOM 316 CD1 LEU A 680 29.373 23.794 0.555 1.00 23.88 C ATOM 317 CD2 LEU A 680 27.272 24.558 -0.601 1.00 23.29 C ATOM 318 H LEU A 680 28.385 21.257 1.907 1.00 0.00 H ATOM 319 N SER A 681 26.040 21.747 4.326 1.00 15.89 N ATOM 320 CA SER A 681 24.951 21.593 5.266 1.00 16.67 C ATOM 321 C SER A 681 25.377 21.823 6.737 1.00 17.81 C ATOM 322 O SER A 681 24.509 21.947 7.587 1.00 18.60 O ATOM 323 CB SER A 681 24.313 20.221 5.170 1.00 16.31 C ATOM 324 OG SER A 681 25.259 19.201 5.518 1.00 18.80 O ATOM 325 HG SER A 681 24.826 18.313 5.450 1.00 0.00 H ATOM 326 H SER A 681 26.432 20.900 3.866 1.00 0.00 H ATOM 327 N ALA A 682 26.693 21.868 7.001 1.00 18.40 N ATOM 328 CA ALA A 682 27.213 21.905 8.371 1.00 21.97 C ATOM 329 C ALA A 682 26.450 22.897 9.267 1.00 19.33 C ATOM 330 O ALA A 682 25.918 22.486 10.315 1.00 22.30 O ATOM 331 CB ALA A 682 28.725 22.199 8.344 1.00 22.40 C ATOM 332 H ALA A 682 27.365 21.877 6.207 1.00 0.00 H ATOM 333 N ILE A 683 26.360 24.126 8.820 1.00 20.46 N ATOM 334 CA ILE A 683 25.747 25.248 9.587 1.00 21.54 C ATOM 335 C ILE A 683 24.228 25.071 9.747 1.00 19.47 C ATOM 336 O ILE A 683 23.648 25.615 10.691 1.00 19.12 O ATOM 337 CB ILE A 683 26.099 26.619 8.946 1.00 26.37 C ATOM 338 CG1 ILE A 683 25.894 27.785 9.905 1.00 31.60 C ATOM 339 CG2 ILE A 683 25.316 26.930 7.674 1.00 26.15 C ATOM 340 CD1 ILE A 683 26.929 27.872 10.996 1.00 35.12 C ATOM 341 H ILE A 683 26.739 24.331 7.873 1.00 0.00 H ATOM 342 N PHE A 684 23.599 24.298 8.861 1.00 18.16 N ATOM 343 CA PHE A 684 22.128 24.215 8.810 1.00 16.54 C ATOM 344 C PHE A 684 21.568 23.093 9.643 1.00 14.87 C ATOM 345 O PHE A 684 20.341 22.950 9.767 1.00 14.58 O ATOM 346 CB PHE A 684 21.672 24.023 7.353 1.00 15.38 C ATOM 347 CG PHE A 684 21.994 25.198 6.468 1.00 16.19 C ATOM 348 CD1 PHE A 684 21.250 26.343 6.558 1.00 19.71 C ATOM 349 CD2 PHE A 684 23.068 25.174 5.604 1.00 16.94 C ATOM 350 CE1 PHE A 684 21.528 27.429 5.718 1.00 20.93 C ATOM 351 CE2 PHE A 684 23.366 26.253 4.788 1.00 18.02 C ATOM 352 CZ PHE A 684 22.576 27.397 4.836 1.00 19.04 C ATOM 353 H PHE A 684 24.161 23.739 8.188 1.00 0.00 H ATOM 354 N LEU A 685 22.437 22.263 10.248 1.00 16.40 N ATOM 355 CA LEU A 685 21.954 21.129 10.933 1.00 17.75 C ATOM 356 C LEU A 685 21.116 21.475 12.149 1.00 16.06 C ATOM 357 O LEU A 685 20.036 20.928 12.339 1.00 17.41 O ATOM 358 CB LEU A 685 23.112 20.206 11.336 1.00 21.39 C ATOM 359 CG LEU A 685 23.921 19.509 10.232 1.00 25.20 C ATOM 360 CD1 LEU A 685 24.688 18.357 10.898 1.00 29.36 C ATOM 361 CD2 LEU A 685 23.013 18.935 9.168 1.00 25.09 C ATOM 362 H LEU A 685 23.458 22.456 10.211 1.00 0.00 H ATOM 363 N ARG A 686 21.604 22.430 12.939 1.00 16.38 N ATOM 364 CA ARG A 686 20.929 22.803 14.191 1.00 16.76 C ATOM 365 C ARG A 686 21.087 24.280 14.430 1.00 15.09 C ATOM 366 O ARG A 686 22.185 24.796 14.533 1.00 15.17 O ATOM 367 CB ARG A 686 21.528 21.997 15.354 1.00 18.86 C ATOM 368 CG ARG A 686 20.815 22.174 16.661 1.00 21.84 C ATOM 369 CD ARG A 686 19.491 21.425 16.668 1.00 27.46 C ATOM 370 NE ARG A 686 18.804 21.577 17.947 1.00 32.31 N ATOM 371 CZ ARG A 686 17.721 22.322 18.174 1.00 38.08 C ATOM 372 NH1 ARG A 686 17.140 23.064 17.210 1.00 40.56 N ATOM 373 NH2 ARG A 686 17.213 22.328 19.409 1.00 40.55 N ATOM 374 HE ARG A 686 19.196 21.056 18.757 1.00 0.00 H ATOM 375 HH12 ARG A 686 16.296 23.631 17.428 1.00 0.00 H ATOM 376 HH11 ARG A 686 17.536 23.069 16.248 1.00 0.00 H ATOM 377 HH22 ARG A 686 16.369 22.898 19.621 1.00 0.00 H ATOM 378 HH21 ARG A 686 17.661 21.763 20.158 1.00 0.00 H ATOM 379 H ARG A 686 22.479 22.921 12.665 1.00 0.00 H ATOM 380 N LEU A 687 19.961 24.972 14.495 1.00 14.73 N ATOM 381 CA LEU A 687 19.944 26.341 14.880 1.00 14.92 C ATOM 382 C LEU A 687 20.543 26.529 16.297 1.00 15.38 C ATOM 383 O LEU A 687 20.246 25.721 17.168 1.00 16.25 O ATOM 384 CB LEU A 687 18.518 26.849 14.947 1.00 17.38 C ATOM 385 CG LEU A 687 17.932 27.424 13.664 1.00 18.41 C ATOM 386 CD1 LEU A 687 16.411 27.493 13.800 1.00 19.09 C ATOM 387 CD2 LEU A 687 18.504 28.788 13.357 1.00 19.26 C ATOM 388 H LEU A 687 19.064 24.502 14.258 1.00 0.00 H ATOM 389 N PRO A 688 21.287 27.596 16.505 1.00 16.38 N ATOM 390 CA PRO A 688 21.637 28.037 17.875 1.00 16.77 C ATOM 391 C PRO A 688 20.372 28.466 18.650 1.00 17.69 C ATOM 392 O PRO A 688 19.279 28.566 18.085 1.00 16.90 O ATOM 393 CB PRO A 688 22.523 29.243 17.643 1.00 16.73 C ATOM 394 CG PRO A 688 22.986 29.111 16.211 1.00 18.61 C ATOM 395 CD PRO A 688 21.797 28.549 15.518 1.00 16.87 C ATOM 396 N SER A 689 20.560 28.727 19.946 1.00 18.22 N ATOM 397 CA SER A 689 19.427 29.041 20.812 1.00 18.33 C ATOM 398 C SER A 689 19.036 30.485 20.610 1.00 18.03 C ATOM 399 O SER A 689 19.742 31.273 20.008 1.00 17.37 O ATOM 400 CB SER A 689 19.841 28.864 22.299 1.00 18.68 C ATOM 401 OG SER A 689 20.729 29.876 22.625 1.00 20.01 O ATOM 402 HG SER A 689 21.005 29.780 23.571 1.00 0.00 H ATOM 403 H SER A 689 21.521 28.706 20.342 1.00 0.00 H ATOM 404 N ARG A 690 17.914 30.866 21.234 1.00 19.74 N ATOM 405 CA ARG A 690 17.467 32.257 21.201 1.00 20.24 C ATOM 406 C ARG A 690 18.454 33.200 21.832 1.00 23.29 C ATOM 407 O ARG A 690 18.617 34.300 21.372 1.00 21.94 O ATOM 408 CB ARG A 690 16.118 32.415 21.901 1.00 19.75 C ATOM 409 CG ARG A 690 14.969 31.853 21.130 1.00 19.29 C ATOM 410 CD ARG A 690 13.682 31.896 21.941 1.00 19.40 C ATOM 411 NE ARG A 690 12.599 31.208 21.254 1.00 17.50 N ATOM 412 CZ ARG A 690 11.781 31.787 20.383 1.00 15.55 C ATOM 413 NH1 ARG A 690 11.892 33.092 20.067 1.00 13.13 N ATOM 414 NH2 ARG A 690 10.841 31.039 19.841 1.00 15.79 N ATOM 415 HE ARG A 690 12.457 30.198 21.458 1.00 0.00 H ATOM 416 HH12 ARG A 690 11.237 33.518 19.381 1.00 0.00 H ATOM 417 HH11 ARG A 690 12.633 33.673 20.509 1.00 0.00 H ATOM 418 HH22 ARG A 690 10.179 31.453 19.154 1.00 0.00 H ATOM 419 HH21 ARG A 690 10.761 30.035 20.100 1.00 0.00 H ATOM 420 H ARG A 690 17.351 30.160 21.751 1.00 0.00 H ATOM 421 N SER A 691 19.176 32.777 22.884 1.00 22.81 N ATOM 422 CA SER A 691 20.169 33.671 23.443 1.00 25.28 C ATOM 423 C SER A 691 21.406 33.825 22.552 1.00 23.09 C ATOM 424 O SER A 691 22.040 34.863 22.533 1.00 22.17 O ATOM 425 CB SER A 691 20.602 33.243 24.844 1.00 29.80 C ATOM 426 OG SER A 691 21.291 32.030 24.786 1.00 35.14 O ATOM 427 HG SER A 691 20.700 31.334 24.402 1.00 0.00 H ATOM 428 H SER A 691 19.025 31.830 23.287 1.00 0.00 H ATOM 429 N GLU A 692 21.735 32.791 21.775 1.00 22.12 N ATOM 430 CA GLU A 692 22.882 32.853 20.865 1.00 20.62 C ATOM 431 C GLU A 692 22.625 33.569 19.534 1.00 20.06 C ATOM 432 O GLU A 692 23.544 34.119 18.948 1.00 21.91 O ATOM 433 CB GLU A 692 23.347 31.439 20.540 1.00 20.76 C ATOM 434 CG GLU A 692 23.893 30.665 21.742 1.00 22.14 C ATOM 435 CD GLU A 692 24.151 29.190 21.461 1.00 25.69 C ATOM 436 OE1 GLU A 692 23.287 28.502 20.868 1.00 22.37 O ATOM 437 OE2 GLU A 692 25.207 28.685 21.944 1.00 27.53 O ATOM 438 H GLU A 692 21.165 31.922 21.816 1.00 0.00 H ATOM 439 N LEU A 693 21.386 33.558 19.066 1.00 18.41 N ATOM 440 CA LEU A 693 21.039 34.141 17.738 1.00 18.33 C ATOM 441 C LEU A 693 19.724 34.929 17.852 1.00 19.12 C ATOM 442 O LEU A 693 18.740 34.693 17.160 1.00 18.17 O ATOM 443 CB LEU A 693 20.963 33.013 16.693 1.00 18.77 C ATOM 444 CG LEU A 693 21.206 33.522 15.256 1.00 18.52 C ATOM 445 CD1 LEU A 693 22.669 33.905 15.053 1.00 20.83 C ATOM 446 CD2 LEU A 693 20.822 32.410 14.275 1.00 19.71 C ATOM 447 H LEU A 693 20.633 33.130 19.642 1.00 0.00 H ATOM 448 N PRO A 694 19.715 35.932 18.752 1.00 18.90 N ATOM 449 CA PRO A 694 18.470 36.652 19.047 1.00 21.08 C ATOM 450 C PRO A 694 17.831 37.306 17.836 1.00 19.99 C ATOM 451 O PRO A 694 16.618 37.261 17.710 1.00 20.55 O ATOM 452 CB PRO A 694 18.895 37.766 20.005 1.00 20.88 C ATOM 453 CG PRO A 694 20.378 37.820 19.924 1.00 21.25 C ATOM 454 CD PRO A 694 20.857 36.464 19.506 1.00 20.71 C ATOM 455 N ASP A 695 18.620 37.911 16.964 1.00 19.97 N ATOM 456 CA ASP A 695 18.037 38.680 15.861 1.00 20.10 C ATOM 457 C ASP A 695 17.373 37.752 14.831 1.00 19.21 C ATOM 458 O ASP A 695 16.453 38.165 14.118 1.00 19.93 O ATOM 459 CB ASP A 695 19.098 39.572 15.203 1.00 20.92 C ATOM 460 CG ASP A 695 19.636 40.630 16.126 1.00 26.70 C ATOM 461 OD1 ASP A 695 18.901 41.027 17.064 1.00 25.50 O ATOM 462 OD2 ASP A 695 20.794 41.091 15.894 1.00 28.63 O ATOM 463 H ASP A 695 19.653 37.841 17.061 1.00 0.00 H ATOM 464 N TYR A 696 17.831 36.492 14.743 1.00 18.40 N ATOM 465 CA TYR A 696 17.172 35.517 13.925 1.00 17.62 C ATOM 466 C TYR A 696 15.784 35.272 14.474 1.00 17.49 C ATOM 467 O TYR A 696 14.784 35.375 13.770 1.00 18.89 O ATOM 468 CB TYR A 696 17.999 34.195 13.812 1.00 16.72 C ATOM 469 CG TYR A 696 17.295 33.058 13.100 1.00 16.35 C ATOM 470 CD1 TYR A 696 16.357 32.317 13.750 1.00 15.90 C ATOM 471 CD2 TYR A 696 17.578 32.731 11.762 1.00 16.62 C ATOM 472 CE1 TYR A 696 15.692 31.275 13.154 1.00 17.52 C ATOM 473 CE2 TYR A 696 16.909 31.676 11.128 1.00 16.75 C ATOM 474 CZ TYR A 696 15.959 30.957 11.828 1.00 16.46 C ATOM 475 OH TYR A 696 15.248 29.905 11.275 1.00 16.89 O ATOM 476 HH TYR A 696 15.878 29.198 10.986 1.00 0.00 H ATOM 477 H TYR A 696 18.680 36.219 15.279 1.00 0.00 H ATOM 478 N TYR A 697 15.700 34.946 15.763 1.00 15.52 N ATOM 479 CA TYR A 697 14.402 34.618 16.293 1.00 14.84 C ATOM 480 C TYR A 697 13.406 35.801 16.354 1.00 16.27 C ATOM 481 O TYR A 697 12.188 35.597 16.291 1.00 17.02 O ATOM 482 CB TYR A 697 14.555 33.941 17.639 1.00 14.66 C ATOM 483 CG TYR A 697 15.119 32.543 17.573 1.00 15.42 C ATOM 484 CD1 TYR A 697 14.282 31.448 17.405 1.00 16.60 C ATOM 485 CD2 TYR A 697 16.486 32.325 17.657 1.00 14.95 C ATOM 486 CE1 TYR A 697 14.800 30.162 17.372 1.00 16.67 C ATOM 487 CE2 TYR A 697 17.010 31.042 17.654 1.00 15.06 C ATOM 488 CZ TYR A 697 16.179 29.988 17.505 1.00 16.89 C ATOM 489 OH TYR A 697 16.636 28.676 17.504 1.00 17.27 O ATOM 490 HH TYR A 697 17.082 28.483 18.366 1.00 0.00 H ATOM 491 H TYR A 697 16.546 34.929 16.368 1.00 0.00 H ATOM 492 N LEU A 698 13.927 37.012 16.482 1.00 15.49 N ATOM 493 CA LEU A 698 13.061 38.182 16.502 1.00 17.58 C ATOM 494 C LEU A 698 12.548 38.515 15.123 1.00 18.62 C ATOM 495 O LEU A 698 11.527 39.171 15.013 1.00 20.44 O ATOM 496 CB LEU A 698 13.796 39.368 17.101 1.00 17.99 C ATOM 497 CG LEU A 698 14.000 39.255 18.633 1.00 19.51 C ATOM 498 CD1 LEU A 698 14.917 40.368 19.079 1.00 21.72 C ATOM 499 CD2 LEU A 698 12.659 39.287 19.350 1.00 20.04 C ATOM 500 H LEU A 698 14.957 37.127 16.568 1.00 0.00 H ATOM 501 N THR A 699 13.210 38.027 14.071 1.00 19.41 N ATOM 502 CA THR A 699 12.813 38.443 12.698 1.00 20.08 C ATOM 503 C THR A 699 12.288 37.352 11.774 1.00 21.29 C ATOM 504 O THR A 699 11.659 37.643 10.746 1.00 21.26 O ATOM 505 CB THR A 699 13.935 39.166 12.011 1.00 23.64 C ATOM 506 OG1 THR A 699 15.026 38.288 11.823 1.00 22.85 O ATOM 507 CG2 THR A 699 14.355 40.415 12.803 1.00 26.21 C ATOM 508 HG1 THR A 699 15.338 37.958 12.703 1.00 0.00 H ATOM 509 H THR A 699 13.997 37.361 14.210 1.00 0.00 H ATOM 510 N ILE A 700 12.539 36.107 12.118 1.00 18.84 N ATOM 511 CA ILE A 700 12.125 34.947 11.284 1.00 19.39 C ATOM 512 C ILE A 700 10.858 34.347 11.882 1.00 20.03 C ATOM 513 O ILE A 700 10.839 33.855 13.013 1.00 22.16 O ATOM 514 CB ILE A 700 13.299 33.925 11.164 1.00 19.44 C ATOM 515 CG1 ILE A 700 14.488 34.527 10.387 1.00 21.13 C ATOM 516 CG2 ILE A 700 12.807 32.627 10.542 1.00 20.57 C ATOM 517 CD1 ILE A 700 14.214 34.954 8.941 1.00 22.41 C ATOM 518 H ILE A 700 13.047 35.927 13.008 1.00 0.00 H ATOM 519 N LYS A 701 9.781 34.380 11.118 1.00 20.68 N ATOM 520 CA LYS A 701 8.477 33.869 11.565 1.00 23.01 C ATOM 521 C LYS A 701 8.423 32.380 11.902 1.00 24.00 C ATOM 522 O LYS A 701 7.788 31.988 12.865 1.00 24.05 O ATOM 523 CB LYS A 701 7.440 34.229 10.491 1.00 29.60 C ATOM 524 CG LYS A 701 6.021 33.793 10.763 1.00 35.50 C ATOM 525 CD LYS A 701 5.083 34.451 9.754 1.00 42.06 C ATOM 526 CE LYS A 701 3.749 33.711 9.670 1.00 48.72 C ATOM 527 NZ LYS A 701 3.159 33.511 11.026 1.00 53.98 N ATOM 528 HZ1 LYS A 701 3.814 32.952 11.609 1.00 0.00 H ATOM 529 HZ2 LYS A 701 2.999 34.436 11.473 1.00 0.00 H ATOM 530 HZ3 LYS A 701 2.254 33.006 10.938 1.00 0.00 H ATOM 531 H LYS A 701 9.859 34.783 10.163 1.00 0.00 H ATOM 532 N LYS A 702 9.091 31.543 11.099 1.00 20.58 N ATOM 533 CA LYS A 702 9.022 30.110 11.248 1.00 21.13 C ATOM 534 C LYS A 702 10.445 29.501 11.209 1.00 20.24 C ATOM 535 O LYS A 702 10.942 29.163 10.143 1.00 18.70 O ATOM 536 CB LYS A 702 8.169 29.513 10.137 1.00 22.89 C ATOM 537 CG LYS A 702 7.877 28.047 10.400 1.00 26.96 C ATOM 538 CD LYS A 702 6.860 27.438 9.450 1.00 31.37 C ATOM 539 CE LYS A 702 6.811 25.921 9.575 1.00 35.31 C ATOM 540 NZ LYS A 702 6.093 25.345 8.392 1.00 35.95 N ATOM 541 HZ1 LYS A 702 5.124 25.722 8.359 1.00 0.00 H ATOM 542 HZ2 LYS A 702 6.598 25.606 7.521 1.00 0.00 H ATOM 543 HZ3 LYS A 702 6.060 24.309 8.479 1.00 0.00 H ATOM 544 H LYS A 702 9.681 31.940 10.340 1.00 0.00 H ATOM 545 N PRO A 703 11.105 29.403 12.372 1.00 19.83 N ATOM 546 CA PRO A 703 12.436 28.806 12.462 1.00 17.73 C ATOM 547 C PRO A 703 12.441 27.415 11.856 1.00 17.76 C ATOM 548 O PRO A 703 11.440 26.662 11.948 1.00 17.56 O ATOM 549 CB PRO A 703 12.674 28.738 13.977 1.00 19.42 C ATOM 550 CG PRO A 703 11.954 29.969 14.471 1.00 22.59 C ATOM 551 CD PRO A 703 10.684 29.977 13.669 1.00 21.86 C ATOM 552 N MET A 704 13.548 27.087 11.200 1.00 16.20 N ATOM 553 CA MET A 704 13.701 25.773 10.568 1.00 16.09 C ATOM 554 C MET A 704 15.151 25.397 10.542 1.00 14.83 C ATOM 555 O MET A 704 15.999 26.231 10.231 1.00 17.11 O ATOM 556 CB MET A 704 13.142 25.815 9.155 1.00 17.14 C ATOM 557 CG MET A 704 13.064 24.482 8.467 1.00 18.56 C ATOM 558 SD MET A 704 12.018 23.265 9.269 1.00 22.50 S ATOM 559 CE MET A 704 10.457 24.092 9.264 1.00 25.06 C ATOM 560 H MET A 704 14.323 27.777 11.133 1.00 0.00 H ATOM 561 N ASP A 705 15.448 24.134 10.846 1.00 14.68 N ATOM 562 CA ASP A 705 16.788 23.583 10.694 1.00 15.38 C ATOM 563 C ASP A 705 16.674 22.128 10.221 1.00 15.14 C ATOM 564 O ASP A 705 15.568 21.587 10.163 1.00 16.19 O ATOM 565 CB ASP A 705 17.629 23.798 11.977 1.00 16.38 C ATOM 566 CG ASP A 705 17.109 23.055 13.218 1.00 19.36 C ATOM 567 OD1 ASP A 705 16.321 22.076 13.126 1.00 21.22 O ATOM 568 OD2 ASP A 705 17.562 23.460 14.313 1.00 18.47 O ATOM 569 H ASP A 705 14.693 23.517 11.206 1.00 0.00 H ATOM 570 N MET A 706 17.789 21.510 9.837 1.00 16.62 N ATOM 571 CA MET A 706 17.693 20.158 9.282 1.00 17.47 C ATOM 572 C MET A 706 17.360 19.144 10.333 1.00 17.50 C ATOM 573 O MET A 706 16.734 18.148 10.027 1.00 20.12 O ATOM 574 CB MET A 706 18.947 19.785 8.529 1.00 16.41 C ATOM 575 CG MET A 706 19.053 20.625 7.249 1.00 18.97 C ATOM 576 SD MET A 706 20.501 20.299 6.214 1.00 19.92 S ATOM 577 CE MET A 706 20.230 18.570 5.851 1.00 19.53 C ATOM 578 H MET A 706 18.712 21.979 9.930 1.00 0.00 H ATOM 579 N GLU A 707 17.749 19.380 11.577 1.00 18.13 N ATOM 580 CA GLU A 707 17.305 18.483 12.649 1.00 22.42 C ATOM 581 C GLU A 707 15.768 18.413 12.750 1.00 20.89 C ATOM 582 O GLU A 707 15.230 17.325 12.979 1.00 21.81 O ATOM 583 CB GLU A 707 17.884 18.925 13.973 1.00 26.84 C ATOM 584 CG GLU A 707 17.414 18.191 15.218 1.00 33.51 C ATOM 585 CD GLU A 707 17.765 16.717 15.222 1.00 40.56 C ATOM 586 OE1 GLU A 707 18.613 16.255 14.405 1.00 41.74 O ATOM 587 OE2 GLU A 707 17.154 15.993 16.061 1.00 46.74 O ATOM 588 H GLU A 707 18.362 20.192 11.791 1.00 0.00 H ATOM 589 N LYS A 708 15.079 19.539 12.586 1.00 18.71 N ATOM 590 CA LYS A 708 13.637 19.545 12.638 1.00 20.06 C ATOM 591 C LYS A 708 13.065 18.718 11.513 1.00 20.36 C ATOM 592 O LYS A 708 12.135 17.911 11.708 1.00 21.74 O ATOM 593 CB LYS A 708 13.110 20.962 12.598 1.00 23.10 C ATOM 594 CG LYS A 708 11.592 21.072 12.661 1.00 30.62 C ATOM 595 CD LYS A 708 11.105 22.497 12.956 1.00 36.50 C ATOM 596 CE LYS A 708 9.789 22.411 13.742 1.00 45.38 C ATOM 597 NZ LYS A 708 9.089 23.714 13.871 1.00 50.44 N ATOM 598 HZ1 LYS A 708 9.705 24.389 14.367 1.00 0.00 H ATOM 599 HZ2 LYS A 708 8.863 24.080 12.924 1.00 0.00 H ATOM 600 HZ3 LYS A 708 8.210 23.582 14.412 1.00 0.00 H ATOM 601 H LYS A 708 15.588 20.430 12.417 1.00 0.00 H ATOM 602 N ILE A 709 13.604 18.941 10.318 1.00 18.07 N ATOM 603 CA ILE A 709 13.226 18.156 9.135 1.00 19.14 C ATOM 604 C ILE A 709 13.482 16.664 9.333 1.00 19.33 C ATOM 605 O ILE A 709 12.582 15.833 9.073 1.00 21.87 O ATOM 606 CB ILE A 709 13.942 18.674 7.869 1.00 19.00 C ATOM 607 CG1 ILE A 709 13.497 20.101 7.559 1.00 19.29 C ATOM 608 CG2 ILE A 709 13.632 17.782 6.657 1.00 18.78 C ATOM 609 CD1 ILE A 709 14.265 20.843 6.489 1.00 19.69 C ATOM 610 H ILE A 709 14.315 19.694 10.218 1.00 0.00 H ATOM 611 N ARG A 710 14.679 16.322 9.777 1.00 20.21 N ATOM 612 CA ARG A 710 15.048 14.914 10.018 1.00 22.45 C ATOM 613 C ARG A 710 14.097 14.273 11.059 1.00 23.30 C ATOM 614 O ARG A 710 13.602 13.138 10.853 1.00 24.13 O ATOM 615 CB ARG A 710 16.479 14.789 10.511 1.00 26.11 C ATOM 616 CG ARG A 710 16.996 13.334 10.509 1.00 31.09 C ATOM 617 CD ARG A 710 18.192 13.132 11.444 1.00 35.13 C ATOM 618 NE ARG A 710 17.913 13.632 12.799 1.00 43.71 N ATOM 619 CZ ARG A 710 17.044 13.100 13.677 1.00 53.06 C ATOM 620 NH1 ARG A 710 16.334 12.011 13.401 1.00 51.92 N ATOM 621 NH2 ARG A 710 16.876 13.666 14.867 1.00 60.93 N ATOM 622 HE ARG A 710 18.437 14.476 13.107 1.00 0.00 H ATOM 623 HH12 ARG A 710 15.672 11.629 14.106 1.00 0.00 H ATOM 624 HH11 ARG A 710 16.441 11.540 12.480 1.00 0.00 H ATOM 625 HH22 ARG A 710 16.205 13.256 15.548 1.00 0.00 H ATOM 626 HH21 ARG A 710 17.416 14.519 15.118 1.00 0.00 H ATOM 627 H ARG A 710 15.381 17.067 9.962 1.00 0.00 H ATOM 628 N SER A 711 13.806 14.998 12.128 1.00 25.01 N ATOM 629 CA SER A 711 12.920 14.465 13.186 1.00 28.19 C ATOM 630 C SER A 711 11.538 14.169 12.662 1.00 28.93 C ATOM 631 O SER A 711 10.972 13.086 12.957 1.00 30.60 O ATOM 632 CB SER A 711 12.837 15.420 14.361 1.00 31.21 C ATOM 633 OG SER A 711 14.050 15.323 15.049 1.00 38.01 O ATOM 634 HG SER A 711 14.792 15.574 14.444 1.00 0.00 H ATOM 635 H SER A 711 14.205 15.953 12.225 1.00 0.00 H ATOM 636 N HIS A 712 11.023 15.084 11.852 1.00 26.45 N ATOM 637 CA HIS A 712 9.724 14.924 11.221 1.00 29.12 C ATOM 638 C HIS A 712 9.716 13.716 10.260 1.00 29.65 C ATOM 639 O HIS A 712 8.757 12.922 10.219 1.00 30.37 O ATOM 640 CB HIS A 712 9.392 16.181 10.443 1.00 31.00 C ATOM 641 CG HIS A 712 7.936 16.423 10.274 1.00 37.53 C ATOM 642 ND1 HIS A 712 7.296 16.264 9.069 1.00 38.27 N ATOM 643 CD2 HIS A 712 6.994 16.845 11.150 1.00 38.68 C ATOM 644 CE1 HIS A 712 6.027 16.611 9.195 1.00 39.25 C ATOM 645 NE2 HIS A 712 5.817 16.953 10.453 1.00 40.68 N ATOM 646 H HIS A 712 11.569 15.948 11.661 1.00 0.00 H ATOM 647 N MET A 713 10.768 13.609 9.451 1.00 25.12 N ATOM 648 CA MET A 713 10.927 12.471 8.521 1.00 27.23 C ATOM 649 C MET A 713 10.983 11.150 9.310 1.00 29.33 C ATOM 650 O MET A 713 10.257 10.213 8.975 1.00 30.34 O ATOM 651 CB MET A 713 12.215 12.625 7.686 1.00 25.71 C ATOM 652 CG MET A 713 12.478 11.515 6.694 1.00 28.36 C ATOM 653 SD MET A 713 14.027 11.685 5.776 1.00 29.31 S ATOM 654 CE MET A 713 15.262 11.500 7.033 1.00 30.74 C ATOM 655 H MET A 713 11.500 14.348 9.474 1.00 0.00 H ATOM 656 N MET A 714 11.801 11.097 10.357 1.00 29.00 N ATOM 657 CA MET A 714 11.972 9.865 11.143 1.00 34.45 C ATOM 658 C MET A 714 10.694 9.442 11.886 1.00 35.81 C ATOM 659 O MET A 714 10.514 8.249 12.148 1.00 33.49 O ATOM 660 CB MET A 714 13.126 9.979 12.147 1.00 37.93 C ATOM 661 CG MET A 714 14.529 9.973 11.542 1.00 41.79 C ATOM 662 SD MET A 714 14.834 8.841 10.173 1.00 49.14 S ATOM 663 CE MET A 714 16.478 9.388 9.671 1.00 55.90 C ATOM 664 H MET A 714 12.334 11.948 10.627 1.00 0.00 H ATOM 665 N ALA A 715 9.850 10.416 12.218 1.00 34.78 N ATOM 666 CA ALA A 715 8.510 10.203 12.793 1.00 38.34 C ATOM 667 C ALA A 715 7.456 9.851 11.739 1.00 39.57 C ATOM 668 O ALA A 715 6.271 9.792 12.047 1.00 41.69 O ATOM 669 CB ALA A 715 8.073 11.459 13.539 1.00 37.47 C ATOM 670 H ALA A 715 10.158 11.397 12.061 1.00 0.00 H ATOM 671 N ASN A 716 7.888 9.685 10.496 1.00 38.79 N ATOM 672 CA ASN A 716 7.054 9.347 9.386 1.00 42.30 C ATOM 673 C ASN A 716 5.904 10.336 9.180 1.00 43.06 C ATOM 674 O ASN A 716 4.789 9.958 8.825 1.00 40.16 O ATOM 675 CB ASN A 716 6.591 7.891 9.565 1.00 44.29 C ATOM 676 CG ASN A 716 6.019 7.312 8.312 1.00 43.93 C ATOM 677 OD1 ASN A 716 6.475 7.586 7.197 1.00 45.02 O ATOM 678 ND2 ASN A 716 4.990 6.504 8.481 1.00 48.57 N ATOM 679 HD22 ASN A 716 4.640 6.302 9.439 1.00 0.00 H ATOM 680 HD21 ASN A 716 4.529 6.069 7.656 1.00 0.00 H ATOM 681 H ASN A 716 8.905 9.810 10.317 1.00 0.00 H ATOM 682 N LYS A 717 6.197 11.622 9.384 1.00 39.92 N ATOM 683 CA LYS A 717 5.181 12.646 9.354 1.00 38.54 C ATOM 684 C LYS A 717 5.046 13.391 8.032 1.00 38.65 C ATOM 685 O LYS A 717 4.066 14.111 7.849 1.00 37.08 O ATOM 686 CB LYS A 717 5.362 13.625 10.518 1.00 44.29 C ATOM 687 CG LYS A 717 4.910 13.085 11.866 1.00 48.32 C ATOM 688 CD LYS A 717 4.763 14.219 12.871 1.00 54.79 C ATOM 689 CE LYS A 717 4.055 13.793 14.155 1.00 59.21 C ATOM 690 NZ LYS A 717 4.956 13.119 15.135 1.00 59.62 N ATOM 691 HZ1 LYS A 717 5.359 12.264 14.702 1.00 0.00 H ATOM 692 HZ2 LYS A 717 5.723 13.768 15.402 1.00 0.00 H ATOM 693 HZ3 LYS A 717 4.411 12.857 15.981 1.00 0.00 H ATOM 694 H LYS A 717 7.184 11.893 9.569 1.00 0.00 H ATOM 695 N TYR A 718 6.003 13.253 7.108 1.00 32.63 N ATOM 696 CA TYR A 718 5.840 13.791 5.763 1.00 32.62 C ATOM 697 C TYR A 718 5.020 12.845 4.899 1.00 38.25 C ATOM 698 O TYR A 718 5.383 11.683 4.769 1.00 36.73 O ATOM 699 CB TYR A 718 7.195 13.996 5.065 1.00 30.81 C ATOM 700 CG TYR A 718 7.990 15.165 5.614 1.00 26.27 C ATOM 701 CD1 TYR A 718 7.481 16.452 5.546 1.00 26.49 C ATOM 702 CD2 TYR A 718 9.254 14.973 6.174 1.00 25.68 C ATOM 703 CE1 TYR A 718 8.192 17.550 6.038 1.00 25.23 C ATOM 704 CE2 TYR A 718 9.985 16.047 6.686 1.00 23.36 C ATOM 705 CZ TYR A 718 9.471 17.330 6.604 1.00 25.53 C ATOM 706 OH TYR A 718 10.194 18.375 7.128 1.00 22.88 O ATOM 707 HH TYR A 718 9.697 19.220 6.992 1.00 0.00 H ATOM 708 H TYR A 718 6.881 12.752 7.354 1.00 0.00 H ATOM 709 N GLN A 719 3.955 13.346 4.275 1.00 41.00 N ATOM 710 CA GLN A 719 3.093 12.498 3.415 1.00 40.56 C ATOM 711 C GLN A 719 3.531 12.470 1.972 1.00 39.01 C ATOM 712 O GLN A 719 3.153 11.572 1.212 1.00 40.31 O ATOM 713 CB GLN A 719 1.647 12.981 3.466 1.00 47.10 C ATOM 714 CG GLN A 719 1.032 12.953 4.854 1.00 53.32 C ATOM 715 CD GLN A 719 -0.471 13.193 4.817 1.00 64.87 C ATOM 716 OE1 GLN A 719 -0.963 14.219 5.307 1.00 68.23 O ATOM 717 NE2 GLN A 719 -1.211 12.252 4.215 1.00 70.57 N ATOM 718 HE22 GLN A 719 -0.754 11.406 3.818 1.00 0.00 H ATOM 719 HE21 GLN A 719 -2.242 12.367 4.145 1.00 0.00 H ATOM 720 H GLN A 719 3.723 14.353 4.393 1.00 0.00 H ATOM 721 N ASP A 720 4.293 13.457 1.550 1.00 31.11 N ATOM 722 CA ASP A 720 4.785 13.478 0.204 1.00 34.69 C ATOM 723 C ASP A 720 6.084 14.260 0.156 1.00 32.27 C ATOM 724 O ASP A 720 6.470 14.861 1.151 1.00 31.10 O ATOM 725 CB ASP A 720 3.728 14.070 -0.738 1.00 38.38 C ATOM 726 CG ASP A 720 3.212 15.391 -0.248 1.00 45.38 C ATOM 727 OD1 ASP A 720 4.032 16.323 -0.043 1.00 39.41 O ATOM 728 OD2 ASP A 720 1.996 15.494 -0.034 1.00 46.59 O ATOM 729 H ASP A 720 4.541 14.230 2.200 1.00 0.00 H ATOM 730 N ILE A 721 6.727 14.225 -0.996 1.00 30.91 N ATOM 731 CA ILE A 721 8.024 14.858 -1.216 1.00 33.22 C ATOM 732 C ILE A 721 7.886 16.371 -1.153 1.00 32.39 C ATOM 733 O ILE A 721 8.759 17.041 -0.591 1.00 28.89 O ATOM 734 CB ILE A 721 8.671 14.450 -2.547 1.00 36.65 C ATOM 735 CG1 ILE A 721 8.997 12.953 -2.529 1.00 44.61 C ATOM 736 CG2 ILE A 721 9.959 15.235 -2.832 1.00 39.33 C ATOM 737 CD1 ILE A 721 9.809 12.499 -1.327 1.00 45.95 C ATOM 738 H ILE A 721 6.286 13.719 -1.790 1.00 0.00 H ATOM 739 N ASP A 722 6.796 16.890 -1.716 1.00 29.62 N ATOM 740 CA ASP A 722 6.558 18.351 -1.698 1.00 29.92 C ATOM 741 C ASP A 722 6.603 18.931 -0.296 1.00 25.64 C ATOM 742 O ASP A 722 7.154 20.022 -0.126 1.00 24.19 O ATOM 743 CB ASP A 722 5.206 18.711 -2.356 1.00 34.91 C ATOM 744 CG ASP A 722 5.253 18.656 -3.894 1.00 43.16 C ATOM 745 OD1 ASP A 722 6.353 18.685 -4.508 1.00 47.44 O ATOM 746 OD2 ASP A 722 4.152 18.604 -4.494 1.00 50.38 O ATOM 747 H ASP A 722 6.105 16.262 -2.173 1.00 0.00 H ATOM 748 N SER A 723 6.030 18.232 0.693 1.00 23.53 N ATOM 749 CA SER A 723 6.010 18.716 2.071 1.00 25.66 C ATOM 750 C SER A 723 7.402 18.909 2.643 1.00 23.60 C ATOM 751 O SER A 723 7.652 19.884 3.334 1.00 22.82 O ATOM 752 CB SER A 723 5.218 17.783 2.988 1.00 29.94 C ATOM 753 OG SER A 723 3.856 17.860 2.646 1.00 35.75 O ATOM 754 HG SER A 723 3.335 17.259 3.235 1.00 0.00 H ATOM 755 H SER A 723 5.586 17.318 0.473 1.00 0.00 H ATOM 756 N MET A 724 8.304 17.975 2.347 1.00 22.23 N ATOM 757 CA MET A 724 9.702 18.095 2.813 1.00 23.07 C ATOM 758 C MET A 724 10.437 19.207 2.082 1.00 21.17 C ATOM 759 O MET A 724 11.150 20.026 2.691 1.00 19.94 O ATOM 760 CB MET A 724 10.475 16.774 2.620 1.00 23.70 C ATOM 761 CG MET A 724 11.970 16.937 2.853 1.00 26.17 C ATOM 762 SD MET A 724 12.883 15.363 2.597 1.00 25.00 S ATOM 763 CE MET A 724 12.615 14.859 4.184 1.00 20.85 C ATOM 764 H MET A 724 8.021 17.150 1.780 1.00 0.00 H ATOM 765 N VAL A 725 10.230 19.265 0.772 1.00 20.29 N ATOM 766 CA VAL A 725 10.808 20.304 -0.037 1.00 19.65 C ATOM 767 C VAL A 725 10.392 21.690 0.483 1.00 18.95 C ATOM 768 O VAL A 725 11.227 22.580 0.573 1.00 18.32 O ATOM 769 CB VAL A 725 10.461 20.145 -1.521 1.00 21.49 C ATOM 770 CG1 VAL A 725 10.901 21.342 -2.319 1.00 21.25 C ATOM 771 CG2 VAL A 725 11.119 18.863 -2.071 1.00 22.40 C ATOM 772 H VAL A 725 9.635 18.541 0.320 1.00 0.00 H ATOM 773 N GLU A 726 9.127 21.846 0.845 1.00 19.22 N ATOM 774 CA GLU A 726 8.632 23.145 1.377 1.00 20.14 C ATOM 775 C GLU A 726 9.399 23.549 2.651 1.00 18.92 C ATOM 776 O GLU A 726 9.732 24.716 2.809 1.00 19.32 O ATOM 777 CB GLU A 726 7.133 23.038 1.697 1.00 25.68 C ATOM 778 CG GLU A 726 6.267 23.050 0.448 1.00 31.75 C ATOM 779 CD GLU A 726 4.803 22.712 0.729 1.00 38.02 C ATOM 780 OE1 GLU A 726 4.359 22.850 1.894 1.00 38.72 O ATOM 781 OE2 GLU A 726 4.115 22.310 -0.235 1.00 46.94 O ATOM 782 H GLU A 726 8.468 21.046 0.756 1.00 0.00 H ATOM 783 N ASP A 727 9.701 22.586 3.525 1.00 18.05 N ATOM 784 CA ASP A 727 10.466 22.900 4.742 1.00 17.73 C ATOM 785 C ASP A 727 11.891 23.297 4.457 1.00 17.51 C ATOM 786 O ASP A 727 12.405 24.252 5.058 1.00 15.96 O ATOM 787 CB ASP A 727 10.400 21.781 5.781 1.00 17.77 C ATOM 788 CG ASP A 727 9.016 21.661 6.427 1.00 21.59 C ATOM 789 OD1 ASP A 727 8.176 22.601 6.334 1.00 21.68 O ATOM 790 OD2 ASP A 727 8.773 20.616 7.049 1.00 23.30 O ATOM 791 H ASP A 727 9.394 21.609 3.345 1.00 0.00 H ATOM 792 N PHE A 728 12.558 22.596 3.530 1.00 15.73 N ATOM 793 CA PHE A 728 13.882 23.012 3.078 1.00 15.70 C ATOM 794 C PHE A 728 13.873 24.410 2.479 1.00 14.57 C ATOM 795 O PHE A 728 14.749 25.217 2.736 1.00 14.52 O ATOM 796 CB PHE A 728 14.523 22.014 2.071 1.00 16.06 C ATOM 797 CG PHE A 728 15.224 20.849 2.714 1.00 16.35 C ATOM 798 CD1 PHE A 728 16.480 21.015 3.294 1.00 16.59 C ATOM 799 CD2 PHE A 728 14.666 19.560 2.706 1.00 17.94 C ATOM 800 CE1 PHE A 728 17.150 19.947 3.881 1.00 17.28 C ATOM 801 CE2 PHE A 728 15.324 18.493 3.315 1.00 19.35 C ATOM 802 CZ PHE A 728 16.574 18.680 3.887 1.00 18.78 C ATOM 803 H PHE A 728 12.125 21.741 3.126 1.00 0.00 H ATOM 804 N VAL A 729 12.896 24.669 1.595 1.00 14.41 N ATOM 805 CA VAL A 729 12.797 25.979 0.951 1.00 15.03 C ATOM 806 C VAL A 729 12.587 27.075 2.002 1.00 15.29 C ATOM 807 O VAL A 729 13.204 28.150 1.894 1.00 15.11 O ATOM 808 CB VAL A 729 11.684 25.986 -0.132 1.00 16.04 C ATOM 809 CG1 VAL A 729 11.302 27.405 -0.564 1.00 18.33 C ATOM 810 CG2 VAL A 729 12.150 25.091 -1.282 1.00 17.11 C ATOM 811 H VAL A 729 12.201 23.930 1.365 1.00 0.00 H ATOM 812 N MET A 730 11.739 26.821 2.999 1.00 15.56 N ATOM 813 CA MET A 730 11.565 27.766 4.114 1.00 15.19 C ATOM 814 C MET A 730 12.928 28.033 4.775 1.00 15.19 C ATOM 815 O MET A 730 13.310 29.185 5.028 1.00 15.73 O ATOM 816 CB MET A 730 10.567 27.220 5.146 1.00 14.15 C ATOM 817 CG MET A 730 10.325 28.130 6.332 1.00 13.77 C ATOM 818 SD MET A 730 9.621 29.740 5.874 1.00 13.73 S ATOM 819 CE MET A 730 8.014 29.224 5.333 1.00 13.60 C ATOM 820 H MET A 730 11.190 25.938 2.989 1.00 0.00 H ATOM 821 N MET A 731 13.662 26.962 5.059 1.00 15.24 N ATOM 822 CA MET A 731 14.951 27.119 5.699 1.00 14.79 C ATOM 823 C MET A 731 15.898 27.963 4.908 1.00 14.50 C ATOM 824 O MET A 731 16.575 28.869 5.431 1.00 13.87 O ATOM 825 CB MET A 731 15.600 25.748 5.956 1.00 15.37 C ATOM 826 CG MET A 731 16.842 25.793 6.808 1.00 15.89 C ATOM 827 SD MET A 731 17.546 24.140 7.044 1.00 17.34 S ATOM 828 CE MET A 731 18.244 23.813 5.393 1.00 17.82 C ATOM 829 H MET A 731 13.311 26.012 4.822 1.00 0.00 H ATOM 830 N PHE A 732 15.983 27.713 3.587 1.00 13.89 N ATOM 831 CA PHE A 732 16.911 28.480 2.810 1.00 14.27 C ATOM 832 C PHE A 732 16.456 29.904 2.640 1.00 13.84 C ATOM 833 O PHE A 732 17.268 30.799 2.614 1.00 15.36 O ATOM 834 CB PHE A 732 17.118 27.804 1.432 1.00 14.79 C ATOM 835 CG PHE A 732 17.692 26.419 1.533 1.00 15.70 C ATOM 836 CD1 PHE A 732 18.771 26.188 2.349 1.00 17.03 C ATOM 837 CD2 PHE A 732 17.183 25.377 0.772 1.00 17.27 C ATOM 838 CE1 PHE A 732 19.317 24.908 2.464 1.00 19.43 C ATOM 839 CE2 PHE A 732 17.725 24.097 0.879 1.00 19.11 C ATOM 840 CZ PHE A 732 18.787 23.885 1.712 1.00 19.00 C ATOM 841 H PHE A 732 15.391 26.983 3.143 1.00 0.00 H ATOM 842 N ASN A 733 15.154 30.121 2.514 1.00 13.92 N ATOM 843 CA ASN A 733 14.661 31.512 2.414 1.00 15.45 C ATOM 844 C ASN A 733 14.880 32.272 3.709 1.00 15.80 C ATOM 845 O ASN A 733 15.282 33.442 3.683 1.00 17.02 O ATOM 846 CB ASN A 733 13.193 31.568 2.023 1.00 17.29 C ATOM 847 CG ASN A 733 12.803 32.937 1.443 1.00 19.90 C ATOM 848 OD1 ASN A 733 13.422 33.428 0.499 1.00 24.44 O ATOM 849 ND2 ASN A 733 11.841 33.564 2.045 1.00 21.08 N ATOM 850 HD22 ASN A 733 11.343 33.113 2.839 1.00 0.00 H ATOM 851 HD21 ASN A 733 11.567 34.518 1.734 1.00 0.00 H ATOM 852 H ASN A 733 14.488 29.323 2.486 1.00 0.00 H ATOM 853 N ASN A 734 14.693 31.586 4.832 1.00 14.67 N ATOM 854 CA ASN A 734 15.047 32.173 6.137 1.00 14.64 C ATOM 855 C ASN A 734 16.494 32.575 6.181 1.00 14.54 C ATOM 856 O ASN A 734 16.802 33.695 6.586 1.00 15.79 O ATOM 857 CB ASN A 734 14.798 31.195 7.300 1.00 14.91 C ATOM 858 CG ASN A 734 13.338 30.941 7.603 1.00 14.99 C ATOM 859 OD1 ASN A 734 12.405 31.633 7.136 1.00 16.96 O ATOM 860 ND2 ASN A 734 13.125 29.895 8.353 1.00 15.34 N ATOM 861 HD22 ASN A 734 13.928 29.347 8.721 1.00 0.00 H ATOM 862 HD21 ASN A 734 12.152 29.609 8.583 1.00 0.00 H ATOM 863 H ASN A 734 14.293 30.627 4.790 1.00 0.00 H ATOM 864 N ALA A 735 17.418 31.695 5.753 1.00 14.20 N ATOM 865 CA ALA A 735 18.832 32.002 5.773 1.00 14.59 C ATOM 866 C ALA A 735 19.158 33.236 4.905 1.00 15.61 C ATOM 867 O ALA A 735 19.973 34.067 5.288 1.00 16.03 O ATOM 868 CB ALA A 735 19.633 30.809 5.311 1.00 15.62 C ATOM 869 H ALA A 735 17.107 30.768 5.398 1.00 0.00 H ATOM 870 N CYS A 736 18.497 33.319 3.754 1.00 16.44 N ATOM 871 CA CYS A 736 18.731 34.384 2.800 1.00 17.42 C ATOM 872 C CYS A 736 17.988 35.671 3.166 1.00 18.57 C ATOM 873 O CYS A 736 18.204 36.698 2.507 1.00 21.54 O ATOM 874 CB CYS A 736 18.353 33.937 1.382 1.00 17.91 C ATOM 875 SG CYS A 736 19.444 32.665 0.727 1.00 19.47 S ATOM 876 H CYS A 736 17.786 32.593 3.531 1.00 0.00 H ATOM 877 N THR A 737 17.117 35.621 4.147 1.00 18.09 N ATOM 878 CA THR A 737 16.444 36.797 4.672 1.00 18.96 C ATOM 879 C THR A 737 17.268 37.411 5.818 1.00 20.08 C ATOM 880 O THR A 737 17.541 38.617 5.848 1.00 20.63 O ATOM 881 CB THR A 737 15.024 36.453 5.104 1.00 20.40 C ATOM 882 OG1 THR A 737 14.288 35.912 4.002 1.00 22.00 O ATOM 883 CG2 THR A 737 14.288 37.666 5.694 1.00 23.27 C ATOM 884 HG1 THR A 737 13.368 35.693 4.296 1.00 0.00 H ATOM 885 H THR A 737 16.898 34.696 4.568 1.00 0.00 H ATOM 886 N TYR A 738 17.719 36.565 6.730 1.00 17.27 N ATOM 887 CA TYR A 738 18.444 36.999 7.913 1.00 18.88 C ATOM 888 C TYR A 738 19.854 37.443 7.573 1.00 18.59 C ATOM 889 O TYR A 738 20.361 38.421 8.150 1.00 20.31 O ATOM 890 CB TYR A 738 18.431 35.861 8.961 1.00 19.17 C ATOM 891 CG TYR A 738 19.247 36.235 10.167 1.00 19.11 C ATOM 892 CD1 TYR A 738 18.922 37.352 10.916 1.00 20.60 C ATOM 893 CD2 TYR A 738 20.352 35.478 10.556 1.00 20.43 C ATOM 894 CE1 TYR A 738 19.723 37.714 12.016 1.00 20.72 C ATOM 895 CE2 TYR A 738 21.121 35.829 11.660 1.00 20.93 C ATOM 896 CZ TYR A 738 20.805 36.943 12.377 1.00 22.63 C ATOM 897 OH TYR A 738 21.614 37.306 13.451 1.00 23.44 O ATOM 898 HH TYR A 738 22.535 37.471 13.128 1.00 0.00 H ATOM 899 H TYR A 738 17.548 35.548 6.595 1.00 0.00 H ATOM 900 N ASN A 739 20.518 36.747 6.644 1.00 18.13 N ATOM 901 CA ASN A 739 21.880 37.032 6.259 1.00 18.47 C ATOM 902 C ASN A 739 21.947 37.841 4.966 1.00 21.05 C ATOM 903 O ASN A 739 21.047 37.760 4.157 1.00 21.07 O ATOM 904 CB ASN A 739 22.674 35.739 6.095 1.00 19.57 C ATOM 905 CG ASN A 739 22.717 34.926 7.372 1.00 20.34 C ATOM 906 OD1 ASN A 739 23.538 35.202 8.243 1.00 20.46 O ATOM 907 ND2 ASN A 739 21.828 33.972 7.510 1.00 17.97 N ATOM 908 HD22 ASN A 739 21.153 33.775 6.744 1.00 0.00 H ATOM 909 HD21 ASN A 739 21.798 33.412 8.386 1.00 0.00 H ATOM 910 H ASN A 739 20.028 35.959 6.174 1.00 0.00 H ATOM 911 N GLU A 740 23.013 38.610 4.797 1.00 23.16 N ATOM 912 CA GLU A 740 23.143 39.443 3.596 1.00 27.18 C ATOM 913 C GLU A 740 23.603 38.628 2.385 1.00 25.86 C ATOM 914 O GLU A 740 24.284 37.597 2.527 1.00 21.95 O ATOM 915 CB GLU A 740 24.105 40.623 3.830 1.00 30.86 C ATOM 916 CG GLU A 740 23.717 41.596 4.952 1.00 36.76 C ATOM 917 CD GLU A 740 22.489 42.447 4.655 1.00 44.85 C ATOM 918 OE1 GLU A 740 22.176 42.746 3.474 1.00 45.07 O ATOM 919 OE2 GLU A 740 21.808 42.821 5.636 1.00 55.70 O ATOM 920 H GLU A 740 23.761 38.623 5.519 1.00 0.00 H ATOM 921 N PRO A 741 23.290 39.106 1.166 1.00 25.01 N ATOM 922 CA PRO A 741 23.667 38.378 -0.065 1.00 26.15 C ATOM 923 C PRO A 741 25.150 38.102 -0.223 1.00 26.49 C ATOM 924 O PRO A 741 25.540 37.061 -0.806 1.00 28.18 O ATOM 925 CB PRO A 741 23.134 39.289 -1.193 1.00 25.84 C ATOM 926 CG PRO A 741 22.036 40.032 -0.577 1.00 26.77 C ATOM 927 CD PRO A 741 22.369 40.218 0.877 1.00 26.79 C ATOM 928 N GLU A 742 25.958 38.965 0.380 1.00 28.94 N ATOM 929 CA GLU A 742 27.424 38.857 0.341 1.00 31.87 C ATOM 930 C GLU A 742 27.965 37.775 1.286 1.00 30.66 C ATOM 931 O GLU A 742 29.145 37.423 1.239 1.00 29.72 O ATOM 932 CB GLU A 742 28.035 40.217 0.737 1.00 37.34 C ATOM 933 CG GLU A 742 27.721 41.392 -0.214 1.00 40.61 C ATOM 934 CD GLU A 742 26.283 41.958 -0.161 1.00 42.64 C ATOM 935 OE1 GLU A 742 25.588 41.880 0.880 1.00 36.93 O ATOM 936 OE2 GLU A 742 25.817 42.489 -1.203 1.00 50.70 O ATOM 937 H GLU A 742 25.534 39.756 0.906 1.00 0.00 H ATOM 938 N SER A 743 27.121 37.254 2.174 1.00 24.60 N ATOM 939 CA SER A 743 27.597 36.326 3.195 1.00 22.29 C ATOM 940 C SER A 743 27.683 34.897 2.689 1.00 21.74 C ATOM 941 O SER A 743 26.973 34.474 1.737 1.00 19.67 O ATOM 942 CB SER A 743 26.690 36.388 4.409 1.00 22.31 C ATOM 943 OG SER A 743 25.438 35.797 4.157 1.00 20.40 O ATOM 944 HG SER A 743 24.993 36.273 3.412 1.00 0.00 H ATOM 945 H SER A 743 26.114 37.510 2.140 1.00 0.00 H ATOM 946 N LEU A 744 28.582 34.141 3.300 1.00 18.79 N ATOM 947 CA LEU A 744 28.787 32.762 2.883 1.00 20.15 C ATOM 948 C LEU A 744 27.570 31.869 3.179 1.00 18.08 C ATOM 949 O LEU A 744 27.235 31.019 2.336 1.00 18.10 O ATOM 950 CB LEU A 744 30.032 32.178 3.509 1.00 21.01 C ATOM 951 CG LEU A 744 30.541 30.864 2.941 1.00 22.37 C ATOM 952 CD1 LEU A 744 30.746 30.912 1.434 1.00 22.64 C ATOM 953 CD2 LEU A 744 31.823 30.479 3.660 1.00 24.08 C ATOM 954 H LEU A 744 29.144 34.535 4.081 1.00 0.00 H ATOM 955 N ILE A 745 26.888 32.077 4.309 1.00 17.45 N ATOM 956 CA ILE A 745 25.702 31.285 4.617 1.00 17.58 C ATOM 957 C ILE A 745 24.629 31.520 3.550 1.00 17.08 C ATOM 958 O ILE A 745 23.970 30.558 3.136 1.00 16.49 O ATOM 959 CB ILE A 745 25.083 31.556 6.017 1.00 20.95 C ATOM 960 CG1 ILE A 745 26.019 31.221 7.130 1.00 25.62 C ATOM 961 CG2 ILE A 745 23.878 30.650 6.232 1.00 23.40 C ATOM 962 CD1 ILE A 745 25.582 31.693 8.522 1.00 27.58 C ATOM 963 H ILE A 745 27.205 32.810 4.975 1.00 0.00 H ATOM 964 N TYR A 746 24.463 32.773 3.106 1.00 17.11 N ATOM 965 CA TYR A 746 23.519 33.064 2.025 1.00 17.54 C ATOM 966 C TYR A 746 23.887 32.298 0.771 1.00 17.04 C ATOM 967 O TYR A 746 23.032 31.659 0.166 1.00 16.57 O ATOM 968 CB TYR A 746 23.509 34.572 1.784 1.00 18.04 C ATOM 969 CG TYR A 746 22.551 35.099 0.775 1.00 19.48 C ATOM 970 CD1 TYR A 746 22.747 34.874 -0.650 1.00 22.50 C ATOM 971 CD2 TYR A 746 21.477 35.861 1.174 1.00 19.23 C ATOM 972 CE1 TYR A 746 21.862 35.449 -1.551 1.00 22.87 C ATOM 973 CE2 TYR A 746 20.599 36.403 0.280 1.00 20.26 C ATOM 974 CZ TYR A 746 20.803 36.198 -1.076 1.00 23.07 C ATOM 975 OH TYR A 746 19.893 36.764 -1.949 1.00 26.07 O ATOM 976 HH TYR A 746 20.150 36.545 -2.880 1.00 0.00 H ATOM 977 H TYR A 746 25.010 33.547 3.534 1.00 0.00 H ATOM 978 N LYS A 747 25.132 32.439 0.347 1.00 16.81 N ATOM 979 CA LYS A 747 25.617 31.704 -0.836 1.00 17.98 C ATOM 980 C LYS A 747 25.457 30.209 -0.744 1.00 18.02 C ATOM 981 O LYS A 747 25.023 29.537 -1.711 1.00 17.78 O ATOM 982 CB LYS A 747 27.069 32.082 -1.097 1.00 21.35 C ATOM 983 CG LYS A 747 27.214 33.542 -1.526 1.00 24.82 C ATOM 984 CD LYS A 747 28.705 33.810 -1.691 1.00 30.51 C ATOM 985 CE LYS A 747 29.043 35.283 -1.739 1.00 36.92 C ATOM 986 NZ LYS A 747 30.506 35.424 -1.399 1.00 41.78 N ATOM 987 HZ1 LYS A 747 30.678 35.042 -0.447 1.00 0.00 H ATOM 988 HZ2 LYS A 747 31.074 34.897 -2.093 1.00 0.00 H ATOM 989 HZ3 LYS A 747 30.771 36.429 -1.423 1.00 0.00 H ATOM 990 H LYS A 747 25.778 33.077 0.855 1.00 0.00 H ATOM 991 N ASP A 748 25.812 29.643 0.407 1.00 16.57 N ATOM 992 CA ASP A 748 25.640 28.206 0.608 1.00 17.41 C ATOM 993 C ASP A 748 24.175 27.773 0.575 1.00 17.07 C ATOM 994 O ASP A 748 23.851 26.679 0.065 1.00 16.94 O ATOM 995 CB ASP A 748 26.248 27.748 1.934 1.00 19.01 C ATOM 996 CG ASP A 748 27.788 27.827 1.988 1.00 20.72 C ATOM 997 OD1 ASP A 748 28.496 27.963 0.946 1.00 21.30 O ATOM 998 OD2 ASP A 748 28.325 27.701 3.147 1.00 21.00 O ATOM 999 H ASP A 748 26.214 30.227 1.168 1.00 0.00 H ATOM 1000 N ALA A 749 23.282 28.581 1.122 1.00 15.06 N ATOM 1001 CA ALA A 749 21.842 28.270 1.054 1.00 15.65 C ATOM 1002 C ALA A 749 21.386 28.165 -0.397 1.00 16.55 C ATOM 1003 O ALA A 749 20.605 27.269 -0.751 1.00 17.83 O ATOM 1004 CB ALA A 749 21.020 29.300 1.767 1.00 16.57 C ATOM 1005 H ALA A 749 23.599 29.445 1.606 1.00 0.00 H ATOM 1006 N LEU A 750 21.845 29.095 -1.226 1.00 16.69 N ATOM 1007 CA LEU A 750 21.462 29.047 -2.662 1.00 17.87 C ATOM 1008 C LEU A 750 21.968 27.793 -3.376 1.00 17.93 C ATOM 1009 O LEU A 750 21.266 27.213 -4.199 1.00 18.21 O ATOM 1010 CB LEU A 750 21.958 30.292 -3.392 1.00 20.24 C ATOM 1011 CG LEU A 750 21.253 31.592 -2.982 1.00 23.93 C ATOM 1012 CD1 LEU A 750 21.790 32.751 -3.807 1.00 25.71 C ATOM 1013 CD2 LEU A 750 19.757 31.523 -3.092 1.00 26.51 C ATOM 1014 H LEU A 750 22.467 29.851 -0.874 1.00 0.00 H ATOM 1015 N VAL A 751 23.146 27.337 -3.035 1.00 17.14 N ATOM 1016 CA VAL A 751 23.695 26.101 -3.621 1.00 17.63 C ATOM 1017 C VAL A 751 22.877 24.919 -3.217 1.00 18.04 C ATOM 1018 O VAL A 751 22.468 24.074 -4.051 1.00 18.11 O ATOM 1019 CB VAL A 751 25.174 25.899 -3.292 1.00 18.81 C ATOM 1020 CG1 VAL A 751 25.623 24.484 -3.688 1.00 19.50 C ATOM 1021 CG2 VAL A 751 25.980 26.982 -3.974 1.00 20.48 C ATOM 1022 H VAL A 751 23.709 27.859 -2.333 1.00 0.00 H ATOM 1023 N LEU A 752 22.591 24.810 -1.912 1.00 16.67 N ATOM 1024 CA LEU A 752 21.823 23.683 -1.431 1.00 15.29 C ATOM 1025 C LEU A 752 20.371 23.691 -1.936 1.00 15.21 C ATOM 1026 O LEU A 752 19.780 22.636 -2.129 1.00 17.08 O ATOM 1027 CB LEU A 752 21.846 23.641 0.120 1.00 14.31 C ATOM 1028 CG LEU A 752 23.209 23.278 0.727 1.00 15.06 C ATOM 1029 CD1 LEU A 752 23.163 23.258 2.250 1.00 16.23 C ATOM 1030 CD2 LEU A 752 23.755 21.956 0.201 1.00 15.63 C ATOM 1031 H LEU A 752 22.922 25.536 -1.245 1.00 0.00 H ATOM 1032 N HIS A 753 19.803 24.880 -2.139 1.00 15.60 N ATOM 1033 CA HIS A 753 18.480 24.993 -2.712 1.00 15.54 C ATOM 1034 C HIS A 753 18.495 24.365 -4.129 1.00 16.55 C ATOM 1035 O HIS A 753 17.583 23.623 -4.474 1.00 17.84 O ATOM 1036 CB HIS A 753 18.067 26.433 -2.833 1.00 16.52 C ATOM 1037 CG HIS A 753 16.725 26.631 -3.460 1.00 16.93 C ATOM 1038 ND1 HIS A 753 16.578 27.183 -4.713 1.00 19.24 N ATOM 1039 CD2 HIS A 753 15.472 26.384 -3.005 1.00 18.22 C ATOM 1040 CE1 HIS A 753 15.286 27.257 -5.003 1.00 18.99 C ATOM 1041 NE2 HIS A 753 14.594 26.767 -3.992 1.00 19.09 N ATOM 1042 H HIS A 753 20.322 25.743 -1.880 1.00 0.00 H ATOM 1043 N LYS A 754 19.528 24.656 -4.888 1.00 17.62 N ATOM 1044 CA LYS A 754 19.714 23.988 -6.219 1.00 21.23 C ATOM 1045 C LYS A 754 19.898 22.504 -6.135 1.00 21.29 C ATOM 1046 O LYS A 754 19.285 21.753 -6.898 1.00 22.32 O ATOM 1047 CB LYS A 754 20.866 24.615 -6.967 1.00 22.42 C ATOM 1048 CG LYS A 754 20.557 25.978 -7.482 1.00 25.66 C ATOM 1049 CD LYS A 754 21.757 26.683 -8.073 1.00 29.52 C ATOM 1050 CE LYS A 754 21.404 28.138 -8.370 1.00 30.23 C ATOM 1051 NZ LYS A 754 21.211 28.968 -7.143 1.00 32.98 N ATOM 1052 HZ1 LYS A 754 20.437 28.569 -6.575 1.00 0.00 H ATOM 1053 HZ2 LYS A 754 22.088 28.968 -6.584 1.00 0.00 H ATOM 1054 HZ3 LYS A 754 20.974 29.942 -7.419 1.00 0.00 H ATOM 1055 H LYS A 754 20.224 25.357 -4.563 1.00 0.00 H ATOM 1056 N VAL A 755 20.690 22.042 -5.169 1.00 18.37 N ATOM 1057 CA VAL A 755 20.861 20.600 -4.936 1.00 19.50 C ATOM 1058 C VAL A 755 19.516 19.918 -4.644 1.00 19.65 C ATOM 1059 O VAL A 755 19.177 18.840 -5.189 1.00 22.21 O ATOM 1060 CB VAL A 755 21.875 20.353 -3.794 1.00 19.25 C ATOM 1061 CG1 VAL A 755 21.874 18.870 -3.365 1.00 20.11 C ATOM 1062 CG2 VAL A 755 23.261 20.815 -4.203 1.00 19.70 C ATOM 1063 H VAL A 755 21.200 22.717 -4.565 1.00 0.00 H ATOM 1064 N LEU A 756 18.717 20.551 -3.792 1.00 18.40 N ATOM 1065 CA LEU A 756 17.407 20.088 -3.425 1.00 19.28 C ATOM 1066 C LEU A 756 16.520 19.922 -4.687 1.00 19.36 C ATOM 1067 O LEU A 756 15.894 18.872 -4.893 1.00 22.24 O ATOM 1068 CB LEU A 756 16.730 21.098 -2.509 1.00 19.83 C ATOM 1069 CG LEU A 756 15.305 20.848 -2.003 1.00 20.98 C ATOM 1070 CD1 LEU A 756 15.218 19.741 -0.985 1.00 23.44 C ATOM 1071 CD2 LEU A 756 14.642 22.090 -1.404 1.00 21.82 C ATOM 1072 H LEU A 756 19.060 21.435 -3.365 1.00 0.00 H ATOM 1073 N LEU A 757 16.388 20.998 -5.439 1.00 21.66 N ATOM 1074 CA LEU A 757 15.466 20.989 -6.584 1.00 24.87 C ATOM 1075 C LEU A 757 15.941 20.021 -7.645 1.00 26.27 C ATOM 1076 O LEU A 757 15.099 19.345 -8.275 1.00 28.95 O ATOM 1077 CB LEU A 757 15.317 22.376 -7.200 1.00 27.79 C ATOM 1078 CG LEU A 757 14.168 23.233 -6.638 1.00 32.14 C ATOM 1079 CD1 LEU A 757 13.804 23.019 -5.197 1.00 35.11 C ATOM 1080 CD2 LEU A 757 14.399 24.697 -6.989 1.00 31.88 C ATOM 1081 H LEU A 757 16.937 21.854 -5.221 1.00 0.00 H ATOM 1082 N GLU A 758 17.247 19.984 -7.869 1.00 24.83 N ATOM 1083 CA GLU A 758 17.836 19.066 -8.849 1.00 28.41 C ATOM 1084 C GLU A 758 17.617 17.636 -8.436 1.00 28.39 C ATOM 1085 O GLU A 758 17.283 16.776 -9.282 1.00 28.68 O ATOM 1086 CB GLU A 758 19.323 19.327 -9.060 1.00 27.37 C ATOM 1087 CG GLU A 758 19.618 20.649 -9.745 1.00 32.02 C ATOM 1088 CD GLU A 758 21.075 21.096 -9.666 1.00 35.40 C ATOM 1089 OE1 GLU A 758 21.947 20.315 -9.223 1.00 40.30 O ATOM 1090 OE2 GLU A 758 21.350 22.261 -10.065 1.00 39.98 O ATOM 1091 H GLU A 758 17.870 20.623 -7.336 1.00 0.00 H ATOM 1092 N THR A 759 17.770 17.349 -7.152 1.00 24.81 N ATOM 1093 CA THR A 759 17.482 16.022 -6.642 1.00 26.00 C ATOM 1094 C THR A 759 16.009 15.627 -6.790 1.00 29.23 C ATOM 1095 O THR A 759 15.726 14.493 -7.232 1.00 30.97 O ATOM 1096 CB THR A 759 17.989 15.846 -5.185 1.00 23.93 C ATOM 1097 OG1 THR A 759 19.383 16.205 -5.149 1.00 23.25 O ATOM 1098 CG2 THR A 759 17.856 14.397 -4.752 1.00 26.47 C ATOM 1099 HG1 THR A 759 19.488 17.147 -5.435 1.00 0.00 H ATOM 1100 H THR A 759 18.102 18.087 -6.499 1.00 0.00 H ATOM 1101 N ARG A 760 15.072 16.538 -6.490 1.00 28.20 N ATOM 1102 CA ARG A 760 13.654 16.220 -6.694 1.00 31.84 C ATOM 1103 C ARG A 760 13.388 15.932 -8.172 1.00 34.41 C ATOM 1104 O ARG A 760 12.660 14.987 -8.492 1.00 36.89 O ATOM 1105 CB ARG A 760 12.706 17.337 -6.203 1.00 35.04 C ATOM 1106 CG ARG A 760 11.258 17.135 -6.707 1.00 39.23 C ATOM 1107 CD ARG A 760 10.218 18.023 -6.056 1.00 45.77 C ATOM 1108 NE ARG A 760 10.390 19.432 -6.396 1.00 51.08 N ATOM 1109 CZ ARG A 760 9.607 20.418 -5.943 1.00 54.83 C ATOM 1110 NH1 ARG A 760 8.583 20.160 -5.117 1.00 54.63 N ATOM 1111 NH2 ARG A 760 9.861 21.675 -6.302 1.00 55.02 N ATOM 1112 HE ARG A 760 11.172 19.686 -7.032 1.00 0.00 H ATOM 1113 HH12 ARG A 760 7.983 20.937 -4.773 1.00 0.00 H ATOM 1114 HH11 ARG A 760 8.388 19.183 -4.820 1.00 0.00 H ATOM 1115 HH22 ARG A 760 9.257 22.447 -5.954 1.00 0.00 H ATOM 1116 HH21 ARG A 760 10.663 21.884 -6.930 1.00 0.00 H ATOM 1117 H ARG A 760 15.349 17.467 -6.114 1.00 0.00 H ATOM 1118 N ARG A 761 13.981 16.726 -9.059 1.00 33.69 N ATOM 1119 CA ARG A 761 13.761 16.583 -10.502 1.00 38.29 C ATOM 1120 C ARG A 761 14.379 15.275 -11.011 1.00 38.71 C ATOM 1121 O ARG A 761 13.693 14.497 -11.668 1.00 38.97 O ATOM 1122 CB ARG A 761 14.326 17.772 -11.249 1.00 43.80 C ATOM 1123 CG ARG A 761 13.995 17.846 -12.738 1.00 54.07 C ATOM 1124 CD ARG A 761 14.718 19.020 -13.407 1.00 62.07 C ATOM 1125 NE ARG A 761 16.130 19.079 -12.992 1.00 69.08 N ATOM 1126 CZ ARG A 761 17.092 18.226 -13.371 1.00 72.26 C ATOM 1127 NH1 ARG A 761 16.841 17.233 -14.233 1.00 77.71 N ATOM 1128 NH2 ARG A 761 18.329 18.374 -12.892 1.00 68.55 N ATOM 1129 HE ARG A 761 16.404 19.849 -12.349 1.00 0.00 H ATOM 1130 HH12 ARG A 761 17.603 16.583 -14.513 1.00 0.00 H ATOM 1131 HH11 ARG A 761 15.884 17.112 -14.622 1.00 0.00 H ATOM 1132 HH22 ARG A 761 19.081 17.716 -13.181 1.00 0.00 H ATOM 1133 HH21 ARG A 761 18.541 19.147 -12.229 1.00 0.00 H ATOM 1134 H ARG A 761 14.621 17.472 -8.719 1.00 0.00 H ATOM 1135 N ASP A 762 15.641 15.010 -10.665 1.00 37.47 N ATOM 1136 CA ASP A 762 16.291 13.697 -10.940 1.00 37.92 C ATOM 1137 C ASP A 762 15.458 12.496 -10.525 1.00 36.92 C ATOM 1138 O ASP A 762 15.517 11.455 -11.187 1.00 39.27 O ATOM 1139 CB ASP A 762 17.640 13.573 -10.230 1.00 38.34 C ATOM 1140 CG ASP A 762 18.735 14.380 -10.881 1.00 44.78 C ATOM 1141 OD1 ASP A 762 18.494 15.054 -11.915 1.00 47.14 O ATOM 1142 OD2 ASP A 762 19.854 14.363 -10.324 1.00 49.50 O ATOM 1143 H ASP A 762 16.193 15.749 -10.184 1.00 0.00 H ATOM 1144 N LEU A 763 14.700 12.603 -9.438 1.00 35.59 N ATOM 1145 CA LEU A 763 13.870 11.491 -8.979 1.00 36.15 C ATOM 1146 C LEU A 763 12.377 11.536 -9.391 1.00 40.09 C ATOM 1147 O LEU A 763 11.589 10.744 -8.885 1.00 39.53 O ATOM 1148 CB LEU A 763 13.979 11.357 -7.463 1.00 36.42 C ATOM 1149 CG LEU A 763 15.386 11.214 -6.877 1.00 34.42 C ATOM 1150 CD1 LEU A 763 15.279 11.303 -5.360 1.00 35.14 C ATOM 1151 CD2 LEU A 763 16.066 9.920 -7.309 1.00 35.96 C ATOM 1152 H LEU A 763 14.698 13.495 -8.904 1.00 0.00 H ATOM 1153 N GLU A 764 11.995 12.443 -10.292 1.00 43.22 N ATOM 1154 CA GLU A 764 10.587 12.621 -10.673 1.00 49.17 C ATOM 1155 C GLU A 764 9.933 11.317 -11.175 1.00 52.02 C ATOM 1156 O GLU A 764 8.780 11.038 -10.829 1.00 53.79 O ATOM 1157 CB GLU A 764 10.437 13.751 -11.704 1.00 53.06 C ATOM 1158 CG GLU A 764 11.086 13.479 -13.063 1.00 58.71 C ATOM 1159 CD GLU A 764 11.381 14.759 -13.839 1.00 65.03 C ATOM 1160 OE1 GLU A 764 10.567 15.706 -13.750 1.00 66.22 O ATOM 1161 OE2 GLU A 764 12.427 14.821 -14.529 1.00 67.39 O ATOM 1162 H GLU A 764 12.717 13.043 -10.739 1.00 0.00 H ATOM 1163 N GLY A 765 10.685 10.504 -11.924 1.00 51.62 N ATOM 1164 CA GLY A 765 10.195 9.193 -12.390 1.00 57.42 C ATOM 1165 C GLY A 765 10.305 8.019 -11.414 1.00 58.60 C ATOM 1166 O GLY A 765 10.125 6.860 -11.814 1.00 58.18 O ATOM 1167 H GLY A 765 11.645 10.805 -12.186 1.00 0.00 H ATOM 1168 N ASP A 766 10.590 8.299 -10.139 1.00 54.87 N ATOM 1169 CA ASP A 766 10.769 7.258 -9.116 1.00 55.76 C ATOM 1170 C ASP A 766 9.742 7.431 -8.001 1.00 56.22 C ATOM 1171 O ASP A 766 9.107 8.479 -7.898 1.00 55.46 O ATOM 1172 CB ASP A 766 12.198 7.322 -8.557 1.00 54.73 C ATOM 1173 CG ASP A 766 13.244 6.955 -9.601 1.00 58.06 C ATOM 1174 OD1 ASP A 766 13.175 5.809 -10.095 1.00 56.47 O ATOM 1175 OD2 ASP A 766 14.121 7.792 -9.931 1.00 54.27 O ATOM 1176 OXT ASP A 766 9.509 6.538 -7.179 1.00 53.59 O ATOM 1177 H ASP A 766 10.689 9.295 -9.858 1.00 0.00 H TER 1178 ASP A 766 HETATM 1179 O HOH 1 13.878 36.350 19.399 1.00102.43 O HETATM 1180 O HOH 2 20.965 15.156 9.962 1.00 36.23 O HETATM 1181 O HOH 3 21.557 43.466 16.323 1.00 39.43 O HETATM 1182 O HOH 4 31.873 26.400 -2.213 1.00 31.18 O HETATM 1183 O HOH 5 18.756 10.121 6.596 1.00 45.36 O HETATM 1184 O HOH 6 15.781 28.629 9.127 1.00 17.81 O HETATM 1185 O HOH 7 25.790 36.396 7.972 1.00 36.65 O HETATM 1186 O HOH 8 11.545 11.638 15.000 1.00 36.56 O HETATM 1187 O HOH 9 9.353 26.463 13.469 1.00 31.77 O HETATM 1188 O HOH 10 14.379 -0.216 -2.717 1.00 27.44 O HETATM 1189 O HOH 11 10.984 35.761 18.841 1.00 40.56 O HETATM 1190 O HOH 12 27.702 25.247 6.295 1.00 25.11 O HETATM 1191 O HOH 13 34.646 25.817 0.244 1.00 21.41 O HETATM 1192 O HOH 14 5.121 5.533 3.449 1.00 36.65 O HETATM 1193 O HOH 15 19.121 39.195 2.709 1.00 30.49 O HETATM 1194 O HOH 16 8.179 26.746 2.011 1.00 23.23 O HETATM 1195 O HOH 17 10.378 41.559 14.575 1.00 25.61 O HETATM 1196 O HOH 18 21.431 14.667 -5.980 1.00 40.23 O HETATM 1197 O HOH 19 24.704 15.375 -2.477 1.00 25.50 O HETATM 1198 O HOH 20 23.919 26.491 13.226 1.00 20.91 O HETATM 1199 O HOH 21 15.614 38.488 9.192 1.00 32.43 O HETATM 1200 O HOH 22 25.830 19.764 2.306 1.00 15.80 O HETATM 1201 O HOH 23 22.114 29.127 24.828 1.00 32.76 O HETATM 1202 O HOH 24 28.618 28.412 -1.722 1.00 28.53 O HETATM 1203 O HOH 25 27.210 30.099 23.106 1.00 32.98 O HETATM 1204 O HOH 26 24.287 11.593 6.234 1.00 43.91 O HETATM 1205 O HOH 27 31.868 27.630 6.502 1.00 35.66 O HETATM 1206 O HOH 28 11.612 35.772 4.539 1.00 29.29 O HETATM 1207 O HOH 29 29.341 24.171 -4.864 1.00 26.85 O HETATM 1208 O HOH 30 30.995 19.159 -5.758 1.00 38.12 O HETATM 1209 O HOH 31 10.441 13.845 -7.247 1.00 40.29 O HETATM 1210 O HOH 32 11.293 32.669 4.860 1.00 32.37 O HETATM 1211 O HOH 33 24.147 36.512 12.772 1.00 36.35 O HETATM 1212 O HOH 34 11.265 33.020 15.589 1.00 20.93 O HETATM 1213 O HOH 35 12.500 20.159 -8.609 1.00 35.45 O HETATM 1214 O HOH 36 16.770 6.152 0.414 1.00 29.44 O HETATM 1215 O HOH 37 26.644 18.158 7.647 1.00 29.55 O HETATM 1216 O HOH 38 21.399 37.154 23.909 1.00 32.29 O HETATM 1217 O HOH 39 15.443 21.189 15.579 1.00 40.43 O HETATM 1218 O HOH 40 7.746 25.322 6.157 1.00 27.89 O HETATM 1219 O HOH 41 19.185 40.461 9.596 1.00 38.05 O HETATM 1220 O HOH 42 13.307 9.656 -12.157 1.00 47.03 O HETATM 1221 O HOH 43 19.119 38.863 -3.581 1.00 34.01 O HETATM 1222 O HOH 44 24.225 34.240 10.786 1.00 20.28 O HETATM 1223 O HOH 45 20.969 11.000 -1.534 1.00 23.32 O HETATM 1224 O HOH 46 25.097 38.907 6.629 1.00 28.64 O HETATM 1225 O HOH 47 30.324 35.483 5.029 1.00 37.34 O HETATM 1226 O HOH 48 21.313 37.146 16.233 1.00 21.37 O HETATM 1227 O HOH 49 23.071 8.471 2.510 1.00 48.97 O HETATM 1228 O HOH 50 16.522 3.157 -1.428 1.00 37.45 O HETATM 1229 O HOH 51 20.653 41.300 19.247 1.00 27.44 O HETATM 1230 O HOH 52 23.872 28.918 -6.226 1.00 34.51 O HETATM 1231 O HOH 53 24.713 22.977 12.821 1.00 24.64 O HETATM 1232 O HOH 54 25.466 30.609 -4.298 1.00 21.90 O HETATM 1233 O HOH 55 16.399 28.752 22.380 1.00 31.36 O HETATM 1234 O HOH 56 11.831 27.061 -4.600 1.00 25.11 O HETATM 1235 O HOH 57 12.017 8.312 5.313 1.00 36.01 O HETATM 1236 O HOH 58 26.269 34.802 19.460 1.00 35.33 O HETATM 1237 O HOH 59 10.375 17.998 13.970 1.00 35.76 O HETATM 1238 O HOH 60 9.909 32.218 8.430 1.00 21.85 O HETATM 1239 O HOH 61 3.166 16.061 4.819 1.00 36.84 O HETATM 1240 O HOH 62 19.889 40.665 5.859 1.00 44.15 O HETATM 1241 O HOH 63 30.330 24.675 5.688 1.00 28.55 O HETATM 1242 O HOH 64 23.590 11.260 -0.322 1.00 29.39 O HETATM 1243 O HOH 65 5.345 4.541 -0.866 1.00 31.28 O HETATM 1244 O HOH 66 32.835 20.722 5.951 1.00 23.98 O HETATM 1245 O HOH 67 5.006 15.567 -3.653 1.00 36.66 O HETATM 1246 O HOH 68 9.923 35.173 8.278 1.00 27.10 O HETATM 1247 O HOH 69 24.285 36.468 21.453 1.00 45.82 O HETATM 1248 O HOH 70 28.611 16.040 -3.173 1.00 25.79 O HETATM 1249 O HOH 71 17.338 20.690 21.904 1.00 44.26 O HETATM 1250 O HOH 72 18.029 30.715 24.810 1.00 32.32 O HETATM 1251 O HOH 73 27.996 33.652 6.669 1.00 25.06 O HETATM 1252 O HOH 74 5.364 12.783 -3.312 1.00 37.83 O HETATM 1253 O HOH 75 20.621 35.892 -4.816 1.00 40.18 O HETATM 1254 O HOH 76 31.938 23.566 -5.898 1.00 31.05 O HETATM 1255 O HOH 77 5.897 8.243 4.204 1.00 50.46 O HETATM 1256 O HOH 78 7.013 22.121 -2.523 1.00 32.15 O HETATM 1257 O HOH 79 20.366 32.042 -7.622 1.00 41.86 O HETATM 1258 O HOH 80 23.059 38.945 9.923 1.00 42.38 O HETATM 1259 O HOH 81 9.725 31.151 2.851 1.00 35.99 O HETATM 1260 O HOH 82 31.061 16.808 7.370 1.00 40.43 O HETATM 1261 O HOH 83 34.568 18.661 5.709 1.00 40.27 O HETATM 1262 O HOH 84 21.140 12.308 9.139 1.00 44.68 O HETATM 1263 O HOH 85 8.577 24.293 -1.907 1.00 28.92 O HETATM 1264 O HOH 86 33.361 22.566 -13.491 1.00 46.23 O HETATM 1265 O HOH 87 9.194 14.867 15.783 1.00 59.85 O HETATM 1266 O HOH 88 9.944 25.072 -4.323 1.00 30.58 O HETATM 1267 O HOH 89 8.015 16.409 14.072 1.00 48.14 O HETATM 1268 O HOH 90 11.471 6.148 7.377 1.00 46.78 O HETATM 1269 O HOH 91 7.306 31.872 7.457 1.00 32.08 O HETATM 1270 O HOH 92 29.695 26.133 -3.170 1.00 32.36 O HETATM 1271 O HOH 93 8.824 29.333 1.246 1.00 27.87 O HETATM 1272 O HOH 94 28.005 25.584 -7.017 1.00 35.11 O HETATM 1273 O HOH 95 17.221 42.892 13.407 1.00 32.62 O HETATM 1274 O HOH 96 25.208 12.746 -2.106 1.00 37.38 O HETATM 1275 O HOH 97 7.446 26.427 -0.748 1.00 29.27 O HETATM 1276 O HOH 98 20.903 8.367 -0.391 1.00 37.53 O HETATM 1277 O HOH 99 5.124 30.546 8.089 1.00 46.54 O HETATM 1278 CAG UNN A 100 21.428 30.094 10.556 1.00 0.05 C HETATM 1279 CAD UNN A 100 20.843 28.838 10.485 1.00 -0.02 C HETATM 1280 CAC UNN A 100 21.318 27.686 11.221 1.00 -0.06 C HETATM 1281 CAB UNN A 100 20.686 26.433 11.130 1.00 -0.07 C HETATM 1282 CAA UNN A 100 19.553 26.285 10.310 1.00 -0.06 C HETATM 1283 CAF UNN A 100 19.059 27.370 9.592 1.00 -0.05 C HETATM 1284 CAE UNN A 100 19.673 28.650 9.702 1.00 0.06 C HETATM 1285 CAJ UNN A 100 19.182 29.779 8.963 1.00 0.27 C HETATM 1286 OAK UNN A 100 18.178 29.738 8.271 1.00 -0.36 O HETATM 1287 OAI UNN A 100 19.785 30.989 9.030 1.00 -0.21 O HETATM 1288 CAH UNN A 100 20.866 31.135 9.814 1.00 0.17 C HETATM 1289 NAN UNN A 100 21.561 32.227 9.952 1.00 -0.21 N HETATM 1290 NAM UNN A 100 22.626 31.966 10.829 1.00 -0.22 N HETATM 1291 CAL UNN A 100 22.543 30.671 11.153 1.00 0.08 C HETATM 1292 CAO UNN A 100 23.563 30.054 12.141 1.00 0.01 C HETATM 1293 CAP UNN A 100 24.482 31.160 12.635 1.00 -0.05 C HETATM 1294 H8 UNN A 100 25.215 30.740 13.339 1.00 0.03 H HETATM 1295 H9 UNN A 100 23.886 31.932 13.143 1.00 0.03 H HETATM 1296 H10 UNN A 100 25.010 31.608 11.780 1.00 0.03 H HETATM 1297 H6 UNN A 100 24.154 29.280 11.630 1.00 0.05 H HETATM 1298 H7 UNN A 100 23.031 29.605 12.993 1.00 0.05 H HETATM 1299 H5 UNN A 100 23.332 32.639 11.158 1.00 0.25 H HETATM 1300 H4 UNN A 100 18.200 27.240 8.944 1.00 0.07 H HETATM 1301 H3 UNN A 100 19.062 25.321 10.237 1.00 0.06 H HETATM 1302 H2 UNN A 100 21.070 25.587 11.688 1.00 0.06 H HETATM 1303 H1 UNN A 100 22.186 27.792 11.861 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1278 1279 1288 1291 CONECT 1279 1278 1280 1284 CONECT 1280 1279 1281 1303 CONECT 1281 1280 1282 1302 CONECT 1282 1281 1283 1301 CONECT 1283 1282 1284 1300 CONECT 1284 1279 1283 1285 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 1288 CONECT 1288 1278 1287 1289 CONECT 1289 1288 1290 CONECT 1290 1289 1291 1299 CONECT 1291 1278 1290 1292 CONECT 1292 1291 1293 1297 1298 CONECT 1293 1292 1294 1295 1296 CONECT 1294 1293 CONECT 1295 1293 CONECT 1296 1293 CONECT 1297 1292 CONECT 1298 1292 CONECT 1299 1290 CONECT 1300 1283 CONECT 1301 1282 CONECT 1302 1281 CONECT 1303 1280 MASTER 0 0 0 0 0 0 0 0 1302 1 30 9 END
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Related entries of code: 5hrv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5fh6
RCSB PDB
PDBbind
124aa, >5FH6_1|Chains... *
5fh7
RCSB PDB
PDBbind
124aa, >5FH7_1|Chains... at 100%
5fh8
RCSB PDB
PDBbind
124aa, >5FH8_1|Chains... at 100%
5hrw
RCSB PDB
PDBbind
124aa, >5HRW_1|Chains... at 100%
5hrx
RCSB PDB
PDBbind
124aa, >5HRX_1|Chains... at 100%
5ii1
RCSB PDB
PDBbind
124aa, >5II1_1|Chains... at 100%
5ii2
RCSB PDB
PDBbind
124aa, >5II2_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5hrv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
fifth bromodomain of human PB1
Ligand Name
64C
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=5.1uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 8787-8803
Ligand Properties
Formula
C
1
2
H
1
0
N
2
O
2
Molecular Weight
214.220
Exact Mass
214.074
No. of atoms
26
No. of bonds
28
Polar Surface Area
58.89
LOGP Value
2.50 (
Computed with XLOGP3
)
2.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
CCc1[nH]nc2c1c1ccccc1c(=O)o2
InChI String
InChI=1S/C12H10N2O2/c1-2-9-10-7-5-3-4-6-8(7)12(15)16-11(10)14-13-9/h3-6H,2H2,1H3,(H,13,14)
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):
Q86U86
Entrez Gene ID
NCBI Entrez Gene ID:
55193
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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