Browse entries in the PDBbind-CN Database
HEADER 5C85_COMPLEX COMPND 5C85_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET GLN LEU THR PRO PHE LEU ILE LEU LEU ARG LYS THR SEQRES 2 A 112 LEU GLU GLN LEU GLN GLU LYS ASP THR GLY ASN ILE PHE SEQRES 3 A 112 SER GLU PRO VAL PRO LEU SER GLU VAL PRO ASP TYR LEU SEQRES 4 A 112 ASP HIS ILE LYS LYS PRO MET ASP PHE PHE THR MET LYS SEQRES 5 A 112 GLN ASN LEU GLU ALA TYR ARG TYR LEU ASN PHE ASP ASP SEQRES 6 A 112 PHE GLU GLU ASP PHE ASN LEU ILE VAL SER ASN CYS LEU SEQRES 7 A 112 LYS TYR ASN ALA LYS ASP THR ILE PHE TYR ARG ALA ALA SEQRES 8 A 112 VAL ARG LEU ARG GLU GLN GLY GLY ALA VAL LEU ARG GLN SEQRES 9 A 112 ALA ARG ARG GLN ALA GLU LYS MET HET UNN A 192 19 ATOM 1 N MET A 628 50.685 -2.175 -11.734 1.00 90.38 N ATOM 2 CA MET A 628 50.355 -0.959 -10.997 1.00 82.10 C ATOM 3 C MET A 628 50.301 -1.213 -9.492 1.00 81.99 C ATOM 4 O MET A 628 50.263 -2.363 -9.040 1.00 77.12 O ATOM 5 CB MET A 628 49.025 -0.382 -11.482 1.00 74.30 C ATOM 6 HN3 MET A 628 49.962 -2.899 -11.548 1.00 0.00 H ATOM 7 HN2 MET A 628 51.615 -2.525 -11.425 1.00 0.00 H ATOM 8 HN1 MET A 628 50.713 -1.965 -12.752 1.00 0.00 H ATOM 9 N GLN A 629 50.314 -0.126 -8.728 1.00 75.55 N ATOM 10 CA GLN A 629 50.282 -0.178 -7.273 1.00 74.06 C ATOM 11 C GLN A 629 48.835 -0.145 -6.800 1.00 69.72 C ATOM 12 O GLN A 629 48.016 0.569 -7.367 1.00 66.78 O ATOM 13 CB GLN A 629 51.073 0.992 -6.683 1.00 77.36 C ATOM 14 CG GLN A 629 52.030 0.631 -5.573 1.00 81.56 C ATOM 15 CD GLN A 629 52.584 1.857 -4.872 1.00 84.55 C ATOM 16 OE1 GLN A 629 52.606 2.953 -5.434 1.00 84.56 O ATOM 17 NE2 GLN A 629 53.053 1.673 -3.643 1.00 87.54 N ATOM 18 HE22 GLN A 629 53.014 0.729 -3.207 1.00 0.00 H ATOM 19 HE21 GLN A 629 53.459 2.472 -3.116 1.00 0.00 H ATOM 20 H GLN A 629 50.349 0.805 -9.190 1.00 0.00 H ATOM 21 N LEU A 630 48.522 -0.911 -5.759 1.00 69.71 N ATOM 22 CA LEU A 630 47.143 -1.067 -5.308 1.00 66.12 C ATOM 23 C LEU A 630 46.570 0.202 -4.678 1.00 65.30 C ATOM 24 O LEU A 630 45.452 0.623 -5.007 1.00 61.89 O ATOM 25 CB LEU A 630 47.041 -2.230 -4.315 1.00 67.24 C ATOM 26 CG LEU A 630 45.654 -2.465 -3.711 1.00 65.76 C ATOM 27 CD1 LEU A 630 44.669 -2.882 -4.780 1.00 61.78 C ATOM 28 CD2 LEU A 630 45.701 -3.495 -2.602 1.00 72.65 C ATOM 29 H LEU A 630 49.280 -1.412 -5.253 1.00 0.00 H ATOM 30 N THR A 631 47.337 0.814 -3.782 1.00 68.76 N ATOM 31 CA THR A 631 46.860 1.980 -3.044 1.00 68.85 C ATOM 32 C THR A 631 46.421 3.156 -3.941 1.00 66.77 C ATOM 33 O THR A 631 45.357 3.723 -3.702 1.00 66.97 O ATOM 34 CB THR A 631 47.927 2.465 -2.031 1.00 73.70 C ATOM 35 OG1 THR A 631 48.167 1.426 -1.079 1.00 79.78 O ATOM 36 CG2 THR A 631 47.451 3.693 -1.288 1.00 74.31 C ATOM 37 HG1 THR A 631 48.494 0.618 -1.549 1.00 0.00 H ATOM 38 H THR A 631 48.297 0.455 -3.603 1.00 0.00 H ATOM 39 N PRO A 632 47.208 3.518 -4.981 1.00 67.78 N ATOM 40 CA PRO A 632 46.721 4.603 -5.854 1.00 66.01 C ATOM 41 C PRO A 632 45.459 4.232 -6.622 1.00 61.39 C ATOM 42 O PRO A 632 44.580 5.055 -6.888 1.00 59.29 O ATOM 43 CB PRO A 632 47.875 4.811 -6.838 1.00 68.60 C ATOM 44 CG PRO A 632 49.071 4.231 -6.169 1.00 72.57 C ATOM 45 CD PRO A 632 48.569 3.095 -5.354 1.00 71.19 C ATOM 46 N PHE A 633 45.394 2.973 -7.007 1.00 60.16 N ATOM 47 CA PHE A 633 44.248 2.477 -7.735 1.00 56.22 C ATOM 48 C PHE A 633 43.001 2.578 -6.879 1.00 53.94 C ATOM 49 O PHE A 633 41.922 2.920 -7.372 1.00 50.99 O ATOM 50 CB PHE A 633 44.487 1.030 -8.163 1.00 56.10 C ATOM 51 CG PHE A 633 43.338 0.423 -8.904 1.00 52.48 C ATOM 52 CD1 PHE A 633 43.075 0.784 -10.214 1.00 51.06 C ATOM 53 CD2 PHE A 633 42.527 -0.510 -8.293 1.00 50.93 C ATOM 54 CE1 PHE A 633 42.006 0.222 -10.905 1.00 57.29 C ATOM 55 CE2 PHE A 633 41.463 -1.074 -8.972 1.00 49.64 C ATOM 56 CZ PHE A 633 41.202 -0.713 -10.277 1.00 50.77 C ATOM 57 H PHE A 633 46.178 2.327 -6.784 1.00 0.00 H ATOM 58 N LEU A 634 43.133 2.272 -5.595 1.00 55.67 N ATOM 59 CA LEU A 634 41.954 2.237 -4.744 1.00 61.15 C ATOM 60 C LEU A 634 41.501 3.644 -4.395 1.00 58.62 C ATOM 61 O LEU A 634 40.305 3.901 -4.255 1.00 54.59 O ATOM 62 CB LEU A 634 42.211 1.439 -3.475 1.00 61.01 C ATOM 63 CG LEU A 634 42.434 -0.053 -3.722 1.00 56.38 C ATOM 64 CD1 LEU A 634 42.585 -0.782 -2.402 1.00 63.76 C ATOM 65 CD2 LEU A 634 41.306 -0.667 -4.556 1.00 52.65 C ATOM 66 H LEU A 634 44.071 2.059 -5.200 1.00 0.00 H ATOM 67 N ILE A 635 42.450 4.560 -4.252 1.00 57.14 N ATOM 68 CA ILE A 635 42.042 5.933 -3.977 1.00 57.68 C ATOM 69 C ILE A 635 41.339 6.475 -5.229 1.00 62.84 C ATOM 70 O ILE A 635 40.397 7.253 -5.116 1.00 53.56 O ATOM 71 CB ILE A 635 43.227 6.839 -3.520 1.00 69.59 C ATOM 72 CG1 ILE A 635 44.338 6.938 -4.569 1.00 68.67 C ATOM 73 CG2 ILE A 635 43.783 6.353 -2.184 1.00 65.94 C ATOM 74 CD1 ILE A 635 44.201 8.122 -5.518 1.00 62.72 C ATOM 75 H ILE A 635 43.455 4.306 -4.334 1.00 0.00 H ATOM 76 N LEU A 636 41.750 6.014 -6.412 1.00 53.59 N ATOM 77 CA LEU A 636 41.065 6.418 -7.644 1.00 50.99 C ATOM 78 C LEU A 636 39.645 5.866 -7.697 1.00 51.57 C ATOM 79 O LEU A 636 38.718 6.568 -8.117 1.00 48.19 O ATOM 80 CB LEU A 636 41.853 5.980 -8.882 1.00 51.30 C ATOM 81 CG LEU A 636 41.146 6.069 -10.236 1.00 49.69 C ATOM 82 CD1 LEU A 636 40.729 7.496 -10.569 1.00 54.47 C ATOM 83 CD2 LEU A 636 41.995 5.478 -11.355 1.00 56.12 C ATOM 84 H LEU A 636 42.561 5.364 -6.460 1.00 0.00 H ATOM 85 N LEU A 637 39.461 4.610 -7.297 1.00 47.67 N ATOM 86 CA LEU A 637 38.112 4.049 -7.244 1.00 44.83 C ATOM 87 C LEU A 637 37.267 4.763 -6.211 1.00 47.74 C ATOM 88 O LEU A 637 36.085 4.987 -6.429 1.00 49.15 O ATOM 89 CB LEU A 637 38.141 2.559 -6.939 1.00 46.44 C ATOM 90 CG LEU A 637 38.598 1.701 -8.102 1.00 49.22 C ATOM 91 CD1 LEU A 637 38.409 0.243 -7.747 1.00 49.06 C ATOM 92 CD2 LEU A 637 37.755 2.050 -9.267 1.00 43.72 C ATOM 93 H LEU A 637 40.277 4.027 -7.022 1.00 0.00 H ATOM 94 N ARG A 638 37.866 5.141 -5.089 1.00 47.07 N ATOM 95 CA ARG A 638 37.112 5.888 -4.100 1.00 52.03 C ATOM 96 C ARG A 638 36.628 7.193 -4.685 1.00 47.78 C ATOM 97 O ARG A 638 35.477 7.567 -4.483 1.00 48.85 O ATOM 98 CB ARG A 638 37.946 6.160 -2.847 1.00 53.26 C ATOM 99 CG ARG A 638 38.078 4.930 -1.987 1.00 60.86 C ATOM 100 CD ARG A 638 38.746 5.207 -0.658 1.00 66.56 C ATOM 101 NE ARG A 638 39.107 3.942 -0.032 1.00 68.75 N ATOM 102 CZ ARG A 638 40.328 3.421 -0.064 1.00 73.25 C ATOM 103 NH1 ARG A 638 41.313 4.072 -0.671 1.00 74.74 N ATOM 104 NH2 ARG A 638 40.565 2.256 0.520 1.00 67.60 N ATOM 105 HE ARG A 638 38.364 3.415 0.470 1.00 0.00 H ATOM 106 HH12 ARG A 638 42.269 3.663 -0.696 1.00 0.00 H ATOM 107 HH11 ARG A 638 41.129 4.991 -1.122 1.00 0.00 H ATOM 108 HH22 ARG A 638 41.521 1.847 0.496 1.00 0.00 H ATOM 109 HH21 ARG A 638 39.795 1.750 1.003 1.00 0.00 H ATOM 110 H ARG A 638 38.865 4.904 -4.920 1.00 0.00 H ATOM 111 N LYS A 639 37.498 7.883 -5.418 1.00 50.25 N ATOM 112 CA LYS A 639 37.130 9.173 -5.996 1.00 49.31 C ATOM 113 C LYS A 639 36.073 8.993 -7.069 1.00 44.73 C ATOM 114 O LYS A 639 35.122 9.773 -7.178 1.00 47.78 O ATOM 115 CB LYS A 639 38.331 9.886 -6.598 1.00 50.39 C ATOM 116 CG LYS A 639 37.977 11.273 -7.122 1.00 62.25 C ATOM 117 CD LYS A 639 39.131 11.934 -7.852 1.00 72.06 C ATOM 118 CE LYS A 639 39.521 11.153 -9.092 1.00 75.58 C ATOM 119 NZ LYS A 639 40.463 11.911 -9.959 1.00 84.40 N ATOM 120 HZ1 LYS A 639 40.015 12.799 -10.263 1.00 0.00 H ATOM 121 HZ2 LYS A 639 41.329 12.124 -9.424 1.00 0.00 H ATOM 122 HZ3 LYS A 639 40.701 11.338 -10.794 1.00 0.00 H ATOM 123 H LYS A 639 38.451 7.500 -5.581 1.00 0.00 H ATOM 124 N THR A 640 36.247 7.966 -7.886 1.00 43.09 N ATOM 125 CA THR A 640 35.299 7.723 -8.960 1.00 40.10 C ATOM 126 C THR A 640 33.932 7.384 -8.389 1.00 44.31 C ATOM 127 O THR A 640 32.907 7.827 -8.902 1.00 41.24 O ATOM 128 CB THR A 640 35.779 6.587 -9.871 1.00 38.95 C ATOM 129 OG1 THR A 640 37.091 6.909 -10.359 1.00 41.13 O ATOM 130 CG2 THR A 640 34.833 6.417 -11.037 1.00 37.53 C ATOM 131 HG1 THR A 640 37.711 7.011 -9.594 1.00 0.00 H ATOM 132 H THR A 640 37.062 7.333 -7.759 1.00 0.00 H ATOM 133 N LEU A 641 33.925 6.596 -7.319 1.00 41.82 N ATOM 134 CA LEU A 641 32.682 6.227 -6.663 1.00 38.79 C ATOM 135 C LEU A 641 31.968 7.471 -6.101 1.00 40.02 C ATOM 136 O LEU A 641 30.759 7.600 -6.262 1.00 45.31 O ATOM 137 CB LEU A 641 32.938 5.202 -5.559 1.00 48.84 C ATOM 138 CG LEU A 641 31.713 4.642 -4.838 1.00 42.52 C ATOM 139 CD1 LEU A 641 30.762 3.999 -5.807 1.00 38.36 C ATOM 140 CD2 LEU A 641 32.140 3.643 -3.770 1.00 45.57 C ATOM 141 H LEU A 641 34.826 6.237 -6.944 1.00 0.00 H ATOM 142 N GLU A 642 32.689 8.387 -5.456 1.00 46.43 N ATOM 143 CA GLU A 642 32.006 9.600 -4.982 1.00 45.86 C ATOM 144 C GLU A 642 31.537 10.467 -6.154 1.00 51.93 C ATOM 145 O GLU A 642 30.472 11.088 -6.073 1.00 47.94 O ATOM 146 CB GLU A 642 32.876 10.409 -4.021 1.00 51.81 C ATOM 147 CG GLU A 642 34.349 10.387 -4.301 1.00 58.65 C ATOM 148 H GLU A 642 33.707 8.248 -5.292 1.00 0.00 H ATOM 149 N GLN A 643 32.280 10.485 -7.260 1.00 41.89 N ATOM 150 CA GLN A 643 31.802 11.205 -8.452 1.00 40.68 C ATOM 151 C GLN A 643 30.514 10.610 -9.019 1.00 39.28 C ATOM 152 O GLN A 643 29.615 11.339 -9.465 1.00 39.34 O ATOM 153 CB GLN A 643 32.870 11.223 -9.543 1.00 42.43 C ATOM 154 CG GLN A 643 34.095 12.043 -9.175 1.00 44.00 C ATOM 155 CD GLN A 643 35.196 11.965 -10.213 1.00 53.81 C ATOM 156 OE1 GLN A 643 35.396 10.929 -10.849 1.00 51.42 O ATOM 157 NE2 GLN A 643 35.933 13.059 -10.378 1.00 53.94 N ATOM 158 HE22 GLN A 643 35.729 13.912 -9.820 1.00 0.00 H ATOM 159 HE21 GLN A 643 36.713 13.061 -11.065 1.00 0.00 H ATOM 160 H GLN A 643 33.195 9.992 -7.281 1.00 0.00 H ATOM 161 N LEU A 644 30.432 9.285 -9.029 1.00 37.86 N ATOM 162 CA LEU A 644 29.219 8.608 -9.467 1.00 36.18 C ATOM 163 C LEU A 644 28.053 8.899 -8.525 1.00 36.95 C ATOM 164 O LEU A 644 26.947 9.188 -8.962 1.00 37.58 O ATOM 165 CB LEU A 644 29.464 7.095 -9.564 1.00 33.94 C ATOM 166 CG LEU A 644 30.421 6.685 -10.680 1.00 33.28 C ATOM 167 CD1 LEU A 644 30.760 5.223 -10.548 1.00 31.29 C ATOM 168 CD2 LEU A 644 29.818 6.930 -12.052 1.00 36.16 C ATOM 169 H LEU A 644 31.248 8.720 -8.719 1.00 0.00 H ATOM 170 N GLN A 645 28.312 8.817 -7.227 1.00 38.77 N ATOM 171 CA GLN A 645 27.283 9.029 -6.218 1.00 47.06 C ATOM 172 C GLN A 645 26.752 10.449 -6.308 1.00 44.90 C ATOM 173 O GLN A 645 25.575 10.706 -6.037 1.00 47.21 O ATOM 174 CB GLN A 645 27.838 8.748 -4.819 1.00 59.25 C ATOM 175 CG GLN A 645 26.867 8.047 -3.879 1.00 62.15 C ATOM 176 CD GLN A 645 27.577 7.264 -2.786 1.00 69.98 C ATOM 177 OE1 GLN A 645 28.804 7.157 -2.779 1.00 65.23 O ATOM 178 NE2 GLN A 645 26.806 6.718 -1.851 1.00 73.00 N ATOM 179 HE22 GLN A 645 25.773 6.833 -1.896 1.00 0.00 H ATOM 180 HE21 GLN A 645 27.235 6.175 -1.075 1.00 0.00 H ATOM 181 H GLN A 645 29.280 8.594 -6.920 1.00 0.00 H ATOM 182 N GLU A 646 27.620 11.369 -6.718 1.00 40.49 N ATOM 183 CA GLU A 646 27.210 12.765 -6.893 1.00 46.15 C ATOM 184 C GLU A 646 26.138 12.921 -7.955 1.00 51.14 C ATOM 185 O GLU A 646 25.317 13.843 -7.876 1.00 48.65 O ATOM 186 CB GLU A 646 28.401 13.640 -7.268 1.00 48.90 C ATOM 187 CG GLU A 646 29.262 14.069 -6.111 1.00 62.20 C ATOM 188 CD GLU A 646 30.470 14.844 -6.581 1.00 70.38 C ATOM 189 OE1 GLU A 646 30.424 15.364 -7.718 1.00 74.86 O ATOM 190 OE2 GLU A 646 31.455 14.942 -5.819 1.00 74.60 O ATOM 191 H GLU A 646 28.603 11.094 -6.917 1.00 0.00 H ATOM 192 N LYS A 647 26.168 12.046 -8.958 1.00 42.04 N ATOM 193 CA LYS A 647 25.207 12.078 -10.057 1.00 36.22 C ATOM 194 C LYS A 647 23.834 11.609 -9.593 1.00 44.76 C ATOM 195 O LYS A 647 22.827 11.881 -10.247 1.00 45.80 O ATOM 196 CB LYS A 647 25.687 11.216 -11.232 1.00 37.96 C ATOM 197 CG LYS A 647 27.045 11.628 -11.776 1.00 39.86 C ATOM 198 CD LYS A 647 27.051 13.060 -12.250 1.00 42.56 C ATOM 199 CE LYS A 647 28.338 13.375 -12.991 1.00 48.80 C ATOM 200 NZ LYS A 647 28.507 14.832 -13.224 1.00 54.15 N ATOM 201 HZ1 LYS A 647 27.711 15.186 -13.792 1.00 0.00 H ATOM 202 HZ2 LYS A 647 28.529 15.328 -12.310 1.00 0.00 H ATOM 203 HZ3 LYS A 647 29.399 14.999 -13.732 1.00 0.00 H ATOM 204 H LYS A 647 26.904 11.311 -8.959 1.00 0.00 H ATOM 205 N ASP A 648 23.805 10.902 -8.468 1.00 44.79 N ATOM 206 CA ASP A 648 22.562 10.383 -7.905 1.00 51.68 C ATOM 207 C ASP A 648 21.942 11.445 -7.008 1.00 47.88 C ATOM 208 O ASP A 648 21.896 11.309 -5.788 1.00 51.33 O ATOM 209 CB ASP A 648 22.827 9.075 -7.136 1.00 55.46 C ATOM 210 CG ASP A 648 21.571 8.493 -6.487 1.00 56.99 C ATOM 211 OD1 ASP A 648 20.446 8.831 -6.916 1.00 43.99 O ATOM 212 OD2 ASP A 648 21.716 7.676 -5.548 1.00 57.57 O ATOM 213 H ASP A 648 24.699 10.712 -7.971 1.00 0.00 H ATOM 214 N THR A 649 21.458 12.520 -7.620 1.00 47.30 N ATOM 215 CA THR A 649 21.004 13.665 -6.837 1.00 52.95 C ATOM 216 C THR A 649 19.788 13.294 -6.006 1.00 56.55 C ATOM 217 O THR A 649 19.591 13.818 -4.915 1.00 70.61 O ATOM 218 CB THR A 649 20.661 14.855 -7.721 1.00 43.41 C ATOM 219 OG1 THR A 649 19.577 14.504 -8.590 1.00 42.10 O ATOM 220 CG2 THR A 649 21.867 15.244 -8.558 1.00 50.96 C ATOM 221 HG1 THR A 649 19.353 15.278 -9.166 1.00 0.00 H ATOM 222 H THR A 649 21.402 12.546 -8.658 1.00 0.00 H ATOM 223 N GLY A 650 18.991 12.370 -6.526 1.00 48.15 N ATOM 224 CA GLY A 650 17.813 11.888 -5.832 1.00 58.71 C ATOM 225 C GLY A 650 18.107 10.908 -4.709 1.00 61.04 C ATOM 226 O GLY A 650 17.207 10.553 -3.950 1.00 65.44 O ATOM 227 H GLY A 650 19.219 11.978 -7.462 1.00 0.00 H ATOM 228 N ASN A 651 19.357 10.464 -4.609 1.00 56.90 N ATOM 229 CA ASN A 651 19.747 9.487 -3.595 1.00 54.70 C ATOM 230 C ASN A 651 18.897 8.215 -3.637 1.00 55.25 C ATOM 231 O ASN A 651 18.444 7.736 -2.596 1.00 61.27 O ATOM 232 CB ASN A 651 19.667 10.106 -2.194 1.00 65.09 C ATOM 233 CG ASN A 651 20.788 11.085 -1.925 1.00 68.52 C ATOM 234 OD1 ASN A 651 21.905 10.921 -2.421 1.00 71.00 O ATOM 235 ND2 ASN A 651 20.497 12.113 -1.139 1.00 78.16 N ATOM 236 HD22 ASN A 651 19.540 12.210 -0.743 1.00 0.00 H ATOM 237 HD21 ASN A 651 21.226 12.822 -0.919 1.00 0.00 H ATOM 238 H ASN A 651 20.076 10.822 -5.270 1.00 0.00 H ATOM 239 N ILE A 652 18.667 7.678 -4.833 1.00 48.51 N ATOM 240 CA ILE A 652 17.894 6.444 -4.964 1.00 47.65 C ATOM 241 C ILE A 652 18.765 5.250 -5.320 1.00 44.21 C ATOM 242 O ILE A 652 18.259 4.154 -5.569 1.00 48.15 O ATOM 243 CB ILE A 652 16.795 6.560 -6.026 1.00 48.67 C ATOM 244 CG1 ILE A 652 17.404 6.727 -7.411 1.00 46.69 C ATOM 245 CG2 ILE A 652 15.863 7.720 -5.688 1.00 48.72 C ATOM 246 CD1 ILE A 652 16.383 6.677 -8.529 1.00 53.16 C ATOM 247 H ILE A 652 19.042 8.142 -5.685 1.00 0.00 H ATOM 248 N PHE A 653 20.073 5.469 -5.361 1.00 42.28 N ATOM 249 CA PHE A 653 21.023 4.408 -5.702 1.00 36.64 C ATOM 250 C PHE A 653 22.107 4.256 -4.646 1.00 42.72 C ATOM 251 O PHE A 653 22.965 3.383 -4.749 1.00 49.23 O ATOM 252 CB PHE A 653 21.700 4.700 -7.033 1.00 38.81 C ATOM 253 CG PHE A 653 20.753 4.809 -8.185 1.00 37.47 C ATOM 254 CD1 PHE A 653 19.963 3.732 -8.545 1.00 40.88 C ATOM 255 CD2 PHE A 653 20.654 5.986 -8.900 1.00 40.22 C ATOM 256 CE1 PHE A 653 19.096 3.824 -9.605 1.00 39.92 C ATOM 257 CE2 PHE A 653 19.781 6.089 -9.968 1.00 41.55 C ATOM 258 CZ PHE A 653 19.008 5.000 -10.320 1.00 40.20 C ATOM 259 H PHE A 653 20.433 6.420 -5.145 1.00 0.00 H ATOM 260 N SER A 654 22.080 5.114 -3.639 1.00 46.25 N ATOM 261 CA SER A 654 23.196 5.166 -2.708 1.00 44.58 C ATOM 262 C SER A 654 23.051 4.178 -1.549 1.00 51.96 C ATOM 263 O SER A 654 23.981 3.988 -0.769 1.00 55.88 O ATOM 264 CB SER A 654 23.360 6.595 -2.204 1.00 53.53 C ATOM 265 OG SER A 654 23.567 7.457 -3.314 1.00 50.65 O ATOM 266 HG SER A 654 22.787 7.404 -3.921 1.00 0.00 H ATOM 267 H SER A 654 21.265 5.748 -3.514 1.00 0.00 H ATOM 268 N GLU A 655 21.894 3.533 -1.458 1.00 49.43 N ATOM 269 CA GLU A 655 21.655 2.511 -0.443 1.00 51.52 C ATOM 270 C GLU A 655 20.818 1.398 -1.051 1.00 49.85 C ATOM 271 O GLU A 655 20.092 1.637 -2.016 1.00 47.24 O ATOM 272 CB GLU A 655 20.947 3.096 0.782 1.00 56.69 C ATOM 273 CG GLU A 655 21.793 4.037 1.616 1.00 62.90 C ATOM 274 CD GLU A 655 21.152 4.361 2.950 1.00 74.58 C ATOM 275 OE1 GLU A 655 19.945 4.683 2.976 1.00 77.31 O ATOM 276 OE2 GLU A 655 21.860 4.281 3.975 1.00 80.84 O ATOM 277 H GLU A 655 21.135 3.763 -2.130 1.00 0.00 H ATOM 278 N PRO A 656 20.913 0.177 -0.495 1.00 53.87 N ATOM 279 CA PRO A 656 20.125 -0.930 -1.054 1.00 52.48 C ATOM 280 C PRO A 656 18.636 -0.595 -1.149 1.00 52.83 C ATOM 281 O PRO A 656 18.109 0.069 -0.254 1.00 59.14 O ATOM 282 CB PRO A 656 20.357 -2.065 -0.053 1.00 58.05 C ATOM 283 CG PRO A 656 21.665 -1.753 0.577 1.00 56.53 C ATOM 284 CD PRO A 656 21.761 -0.258 0.629 1.00 56.59 C ATOM 285 N VAL A 657 17.984 -1.034 -2.221 1.00 54.38 N ATOM 286 CA VAL A 657 16.544 -0.843 -2.368 1.00 59.17 C ATOM 287 C VAL A 657 15.834 -1.466 -1.164 1.00 63.02 C ATOM 288 O VAL A 657 15.995 -2.655 -0.899 1.00 59.90 O ATOM 289 CB VAL A 657 16.013 -1.473 -3.675 1.00 54.50 C ATOM 290 CG1 VAL A 657 14.527 -1.204 -3.829 1.00 61.43 C ATOM 291 CG2 VAL A 657 16.789 -0.955 -4.891 1.00 49.85 C ATOM 292 H VAL A 657 18.511 -1.524 -2.971 1.00 0.00 H ATOM 293 N PRO A 658 15.066 -0.656 -0.416 1.00 66.27 N ATOM 294 CA PRO A 658 14.412 -1.128 0.810 1.00 69.82 C ATOM 295 C PRO A 658 13.355 -2.181 0.519 1.00 72.52 C ATOM 296 O PRO A 658 12.298 -1.852 -0.018 1.00 74.27 O ATOM 297 CB PRO A 658 13.769 0.141 1.382 1.00 72.68 C ATOM 298 CG PRO A 658 14.455 1.276 0.700 1.00 71.78 C ATOM 299 CD PRO A 658 14.802 0.769 -0.665 1.00 64.82 C ATOM 300 N LEU A 659 13.635 -3.429 0.879 1.00 74.42 N ATOM 301 CA LEU A 659 12.727 -4.534 0.584 1.00 75.94 C ATOM 302 C LEU A 659 11.403 -4.397 1.322 1.00 82.63 C ATOM 303 O LEU A 659 10.453 -5.120 1.036 1.00 89.10 O ATOM 304 CB LEU A 659 13.384 -5.870 0.928 1.00 73.45 C ATOM 305 CG LEU A 659 14.491 -6.315 -0.029 1.00 71.36 C ATOM 306 CD1 LEU A 659 15.403 -7.334 0.634 1.00 72.40 C ATOM 307 CD2 LEU A 659 13.898 -6.878 -1.312 1.00 71.39 C ATOM 308 H LEU A 659 14.523 -3.624 1.384 1.00 0.00 H ATOM 309 N SER A 660 11.344 -3.473 2.275 1.00 84.86 N ATOM 310 CA SER A 660 10.094 -3.175 2.960 1.00 89.44 C ATOM 311 C SER A 660 9.167 -2.393 2.036 1.00 88.63 C ATOM 312 O SER A 660 7.967 -2.661 1.978 1.00 95.38 O ATOM 313 CB SER A 660 10.351 -2.392 4.251 1.00 90.89 C ATOM 314 OG SER A 660 11.195 -1.276 4.020 1.00 87.70 O ATOM 315 HG SER A 660 10.767 -0.670 3.364 1.00 0.00 H ATOM 316 H SER A 660 12.206 -2.953 2.536 1.00 0.00 H ATOM 317 N GLU A 661 9.732 -1.427 1.316 1.00 79.94 N ATOM 318 CA GLU A 661 8.964 -0.615 0.377 1.00 81.28 C ATOM 319 C GLU A 661 8.708 -1.375 -0.917 1.00 80.82 C ATOM 320 O GLU A 661 7.714 -1.144 -1.607 1.00 82.55 O ATOM 321 CB GLU A 661 9.695 0.700 0.072 1.00 80.40 C ATOM 322 CG GLU A 661 9.514 1.803 1.115 1.00 89.17 C ATOM 323 CD GLU A 661 10.327 1.584 2.382 1.00 98.79 C ATOM 324 OE1 GLU A 661 10.859 0.472 2.580 1.00100.19 O ATOM 325 OE2 GLU A 661 10.439 2.536 3.185 1.00105.92 O ATOM 326 H GLU A 661 10.750 -1.245 1.425 1.00 0.00 H ATOM 327 N VAL A 662 9.622 -2.281 -1.245 1.00 79.52 N ATOM 328 CA VAL A 662 9.565 -3.019 -2.499 1.00 74.79 C ATOM 329 C VAL A 662 9.691 -4.516 -2.222 1.00 74.51 C ATOM 330 O VAL A 662 10.730 -5.115 -2.491 1.00 71.73 O ATOM 331 CB VAL A 662 10.685 -2.567 -3.462 1.00 73.00 C ATOM 332 CG1 VAL A 662 10.415 -3.061 -4.862 1.00 70.39 C ATOM 333 CG2 VAL A 662 10.817 -1.051 -3.461 1.00 70.17 C ATOM 334 H VAL A 662 10.403 -2.469 -0.585 1.00 0.00 H ATOM 335 N PRO A 663 8.628 -5.125 -1.671 1.00 74.68 N ATOM 336 CA PRO A 663 8.683 -6.514 -1.197 1.00 72.97 C ATOM 337 C PRO A 663 8.966 -7.530 -2.301 1.00 73.49 C ATOM 338 O PRO A 663 9.572 -8.566 -2.033 1.00 81.88 O ATOM 339 CB PRO A 663 7.287 -6.737 -0.602 1.00 77.46 C ATOM 340 CG PRO A 663 6.422 -5.728 -1.266 1.00 78.62 C ATOM 341 CD PRO A 663 7.292 -4.533 -1.492 1.00 76.47 C ATOM 342 N ASP A 664 8.545 -7.233 -3.524 1.00 66.95 N ATOM 343 CA ASP A 664 8.685 -8.185 -4.620 1.00 68.52 C ATOM 344 C ASP A 664 9.964 -7.954 -5.427 1.00 65.70 C ATOM 345 O ASP A 664 10.149 -8.545 -6.492 1.00 62.65 O ATOM 346 CB ASP A 664 7.460 -8.108 -5.538 1.00 69.27 C ATOM 347 CG ASP A 664 7.423 -6.833 -6.367 1.00 72.64 C ATOM 348 OD1 ASP A 664 7.890 -5.779 -5.882 1.00 72.81 O ATOM 349 OD2 ASP A 664 6.901 -6.885 -7.502 1.00 69.82 O ATOM 350 H ASP A 664 8.108 -6.306 -3.704 1.00 0.00 H ATOM 351 N TYR A 665 10.845 -7.102 -4.911 1.00 65.33 N ATOM 352 CA TYR A 665 12.033 -6.678 -5.650 1.00 61.42 C ATOM 353 C TYR A 665 12.972 -7.821 -6.016 1.00 64.76 C ATOM 354 O TYR A 665 13.413 -7.928 -7.160 1.00 64.88 O ATOM 355 CB TYR A 665 12.806 -5.630 -4.852 1.00 59.08 C ATOM 356 CG TYR A 665 13.931 -4.995 -5.637 1.00 54.21 C ATOM 357 CD1 TYR A 665 13.673 -4.053 -6.624 1.00 47.69 C ATOM 358 CD2 TYR A 665 15.253 -5.344 -5.394 1.00 57.69 C ATOM 359 CE1 TYR A 665 14.709 -3.472 -7.349 1.00 49.15 C ATOM 360 CE2 TYR A 665 16.291 -4.769 -6.110 1.00 53.77 C ATOM 361 CZ TYR A 665 16.012 -3.837 -7.083 1.00 50.04 C ATOM 362 OH TYR A 665 17.045 -3.272 -7.790 1.00 45.42 O ATOM 363 HH TYR A 665 16.680 -2.627 -8.447 1.00 0.00 H ATOM 364 H TYR A 665 10.684 -6.727 -3.955 1.00 0.00 H ATOM 365 N LEU A 666 13.274 -8.677 -5.045 1.00 67.07 N ATOM 366 CA LEU A 666 14.237 -9.749 -5.265 1.00 65.27 C ATOM 367 C LEU A 666 13.621 -10.925 -6.019 1.00 65.06 C ATOM 368 O LEU A 666 14.291 -11.920 -6.286 1.00 65.25 O ATOM 369 CB LEU A 666 14.831 -10.202 -3.930 1.00 67.32 C ATOM 370 CG LEU A 666 16.337 -9.968 -3.794 1.00 64.70 C ATOM 371 CD1 LEU A 666 16.761 -10.079 -2.340 1.00 72.18 C ATOM 372 CD2 LEU A 666 17.086 -10.999 -4.615 1.00 57.91 C ATOM 373 H LEU A 666 12.817 -8.581 -4.116 1.00 0.00 H ATOM 374 N ASP A 667 12.353 -10.790 -6.394 1.00 65.88 N ATOM 375 CA ASP A 667 11.719 -11.760 -7.273 1.00 64.04 C ATOM 376 C ASP A 667 12.165 -11.545 -8.719 1.00 61.57 C ATOM 377 O ASP A 667 12.171 -12.480 -9.518 1.00 62.32 O ATOM 378 CB ASP A 667 10.196 -11.667 -7.167 1.00 70.53 C ATOM 379 H ASP A 667 11.804 -9.975 -6.052 1.00 0.00 H ATOM 380 N HIS A 668 12.548 -10.311 -9.044 1.00 62.74 N ATOM 381 CA HIS A 668 12.940 -9.956 -10.406 1.00 59.39 C ATOM 382 C HIS A 668 14.421 -9.624 -10.529 1.00 54.05 C ATOM 383 O HIS A 668 15.003 -9.721 -11.613 1.00 57.25 O ATOM 384 CB HIS A 668 12.132 -8.761 -10.902 1.00 54.93 C ATOM 385 CG HIS A 668 10.653 -8.923 -10.745 1.00 60.38 C ATOM 386 ND1 HIS A 668 9.991 -8.601 -9.599 1.00 65.95 N ATOM 387 CD2 HIS A 668 9.715 -9.379 -11.624 1.00 64.73 C ATOM 388 CE1 HIS A 668 8.688 -8.846 -9.752 1.00 70.26 C ATOM 389 NE2 HIS A 668 8.514 -9.317 -10.970 1.00 69.12 N ATOM 390 H HIS A 668 12.569 -9.578 -8.306 1.00 0.00 H ATOM 391 N ILE A 669 15.019 -9.218 -9.416 1.00 51.21 N ATOM 392 CA ILE A 669 16.391 -8.734 -9.414 1.00 50.89 C ATOM 393 C ILE A 669 17.313 -9.752 -8.756 1.00 54.18 C ATOM 394 O ILE A 669 17.287 -9.927 -7.538 1.00 61.22 O ATOM 395 CB ILE A 669 16.487 -7.374 -8.690 1.00 48.96 C ATOM 396 CG1 ILE A 669 15.617 -6.332 -9.404 1.00 48.09 C ATOM 397 CG2 ILE A 669 17.928 -6.909 -8.603 1.00 46.73 C ATOM 398 CD1 ILE A 669 15.870 -6.226 -10.900 1.00 42.41 C ATOM 399 H ILE A 669 14.492 -9.247 -8.520 1.00 0.00 H ATOM 400 N LYS A 670 18.119 -10.431 -9.564 1.00 48.49 N ATOM 401 CA LYS A 670 18.952 -11.519 -9.058 1.00 51.46 C ATOM 402 C LYS A 670 20.077 -10.999 -8.167 1.00 53.27 C ATOM 403 O LYS A 670 20.374 -11.591 -7.132 1.00 57.54 O ATOM 404 CB LYS A 670 19.528 -12.338 -10.217 1.00 54.18 C ATOM 405 H LYS A 670 18.158 -10.184 -10.574 1.00 0.00 H ATOM 406 N LYS A 671 20.705 -9.895 -8.562 1.00 47.62 N ATOM 407 CA LYS A 671 21.758 -9.316 -7.731 1.00 49.41 C ATOM 408 C LYS A 671 21.596 -7.820 -7.526 1.00 45.31 C ATOM 409 O LYS A 671 22.048 -7.023 -8.350 1.00 40.99 O ATOM 410 CB LYS A 671 23.139 -9.586 -8.324 1.00 53.69 C ATOM 411 CG LYS A 671 24.264 -9.256 -7.346 1.00 62.47 C ATOM 412 CD LYS A 671 25.651 -9.413 -7.956 1.00 61.19 C ATOM 413 CE LYS A 671 26.730 -8.966 -6.976 1.00 61.57 C ATOM 414 NZ LYS A 671 28.001 -8.593 -7.662 1.00 62.74 N ATOM 415 HZ1 LYS A 671 28.364 -9.414 -8.188 1.00 0.00 H ATOM 416 HZ2 LYS A 671 27.820 -7.809 -8.322 1.00 0.00 H ATOM 417 HZ3 LYS A 671 28.702 -8.297 -6.953 1.00 0.00 H ATOM 418 H LYS A 671 20.446 -9.444 -9.463 1.00 0.00 H ATOM 419 N PRO A 672 20.962 -7.437 -6.409 1.00 47.81 N ATOM 420 CA PRO A 672 20.843 -6.028 -6.025 1.00 42.55 C ATOM 421 C PRO A 672 22.211 -5.381 -5.875 1.00 40.78 C ATOM 422 O PRO A 672 23.184 -6.052 -5.525 1.00 45.44 O ATOM 423 CB PRO A 672 20.116 -6.080 -4.679 1.00 46.97 C ATOM 424 CG PRO A 672 19.481 -7.434 -4.627 1.00 52.80 C ATOM 425 CD PRO A 672 20.351 -8.342 -5.424 1.00 50.80 C ATOM 426 N MET A 673 22.281 -4.082 -6.143 1.00 39.15 N ATOM 427 CA MET A 673 23.528 -3.353 -6.008 1.00 39.83 C ATOM 428 C MET A 673 23.216 -1.883 -5.775 1.00 41.98 C ATOM 429 O MET A 673 22.170 -1.385 -6.211 1.00 41.91 O ATOM 430 CB MET A 673 24.403 -3.546 -7.249 1.00 35.55 C ATOM 431 CG MET A 673 25.838 -3.011 -7.128 1.00 37.75 C ATOM 432 SD MET A 673 26.740 -3.495 -5.641 1.00 41.62 S ATOM 433 CE MET A 673 26.635 -5.277 -5.723 1.00 42.78 C ATOM 434 H MET A 673 21.426 -3.578 -6.455 1.00 0.00 H ATOM 435 N ASP A 674 24.123 -1.209 -5.078 1.00 40.13 N ATOM 436 CA ASP A 674 23.970 0.193 -4.715 1.00 42.01 C ATOM 437 C ASP A 674 25.340 0.767 -4.370 1.00 45.36 C ATOM 438 O ASP A 674 26.295 0.024 -4.177 1.00 44.41 O ATOM 439 CB ASP A 674 23.019 0.343 -3.536 1.00 46.44 C ATOM 440 CG ASP A 674 23.570 -0.272 -2.274 1.00 49.87 C ATOM 441 OD1 ASP A 674 23.411 -1.496 -2.091 1.00 48.68 O ATOM 442 OD2 ASP A 674 24.169 0.473 -1.475 1.00 52.08 O ATOM 443 H ASP A 674 24.985 -1.707 -4.776 1.00 0.00 H ATOM 444 N PHE A 675 25.438 2.086 -4.274 1.00 46.02 N ATOM 445 CA PHE A 675 26.738 2.720 -4.066 1.00 44.17 C ATOM 446 C PHE A 675 27.378 2.445 -2.706 1.00 49.89 C ATOM 447 O PHE A 675 28.605 2.461 -2.586 1.00 48.85 O ATOM 448 CB PHE A 675 26.611 4.218 -4.272 1.00 43.22 C ATOM 449 CG PHE A 675 26.469 4.617 -5.706 1.00 39.08 C ATOM 450 CD1 PHE A 675 27.258 4.045 -6.687 1.00 36.04 C ATOM 451 CD2 PHE A 675 25.528 5.569 -6.081 1.00 42.29 C ATOM 452 CE1 PHE A 675 27.115 4.419 -8.021 1.00 36.39 C ATOM 453 CE2 PHE A 675 25.386 5.939 -7.397 1.00 38.32 C ATOM 454 CZ PHE A 675 26.177 5.366 -8.373 1.00 38.01 C ATOM 455 H PHE A 675 24.583 2.674 -4.347 1.00 0.00 H ATOM 456 N PHE A 676 26.560 2.207 -1.686 1.00 47.95 N ATOM 457 CA PHE A 676 27.088 1.911 -0.358 1.00 50.53 C ATOM 458 C PHE A 676 27.738 0.534 -0.357 1.00 53.86 C ATOM 459 O PHE A 676 28.853 0.359 0.129 1.00 57.58 O ATOM 460 CB PHE A 676 25.986 1.983 0.698 1.00 52.24 C ATOM 461 CG PHE A 676 26.466 1.710 2.093 1.00 64.31 C ATOM 462 CD1 PHE A 676 27.264 2.627 2.761 1.00 63.12 C ATOM 463 CD2 PHE A 676 26.124 0.534 2.735 1.00 66.72 C ATOM 464 CE1 PHE A 676 27.707 2.374 4.045 1.00 70.32 C ATOM 465 CE2 PHE A 676 26.565 0.275 4.015 1.00 61.00 C ATOM 466 CZ PHE A 676 27.356 1.198 4.673 1.00 69.97 C ATOM 467 H PHE A 676 25.531 2.232 -1.836 1.00 0.00 H ATOM 468 N THR A 677 27.021 -0.434 -0.915 1.00 54.16 N ATOM 469 CA THR A 677 27.530 -1.789 -1.092 1.00 48.19 C ATOM 470 C THR A 677 28.824 -1.790 -1.898 1.00 47.66 C ATOM 471 O THR A 677 29.765 -2.523 -1.587 1.00 49.45 O ATOM 472 CB THR A 677 26.477 -2.671 -1.779 1.00 51.34 C ATOM 473 OG1 THR A 677 25.318 -2.752 -0.936 1.00 55.31 O ATOM 474 CG2 THR A 677 27.016 -4.070 -2.038 1.00 53.42 C ATOM 475 HG1 THR A 677 24.952 -1.843 -0.792 1.00 0.00 H ATOM 476 H THR A 677 26.057 -0.217 -1.239 1.00 0.00 H ATOM 477 N MET A 678 28.872 -0.950 -2.923 1.00 46.79 N ATOM 478 CA MET A 678 30.068 -0.799 -3.741 1.00 43.64 C ATOM 479 C MET A 678 31.235 -0.291 -2.915 1.00 46.40 C ATOM 480 O MET A 678 32.356 -0.790 -3.041 1.00 47.65 O ATOM 481 CB MET A 678 29.794 0.140 -4.915 1.00 37.45 C ATOM 482 CG MET A 678 29.050 -0.523 -6.053 1.00 37.64 C ATOM 483 SD MET A 678 29.026 0.466 -7.561 1.00 39.31 S ATOM 484 CE MET A 678 30.751 0.391 -8.056 1.00 39.48 C ATOM 485 H MET A 678 28.031 -0.382 -3.150 1.00 0.00 H ATOM 486 N LYS A 679 30.970 0.693 -2.060 1.00 48.04 N ATOM 487 CA LYS A 679 31.995 1.233 -1.174 1.00 51.00 C ATOM 488 C LYS A 679 32.526 0.145 -0.255 1.00 55.93 C ATOM 489 O LYS A 679 33.734 0.030 -0.029 1.00 57.81 O ATOM 490 CB LYS A 679 31.437 2.392 -0.350 1.00 53.18 C ATOM 491 CG LYS A 679 32.366 2.881 0.746 1.00 61.28 C ATOM 492 CD LYS A 679 33.623 3.529 0.188 1.00 64.80 C ATOM 493 CE LYS A 679 34.451 4.148 1.313 1.00 76.99 C ATOM 494 NZ LYS A 679 35.671 4.848 0.821 1.00 78.50 N ATOM 495 HZ1 LYS A 679 36.278 4.171 0.317 1.00 0.00 H ATOM 496 HZ2 LYS A 679 35.393 5.614 0.175 1.00 0.00 H ATOM 497 HZ3 LYS A 679 36.190 5.246 1.629 1.00 0.00 H ATOM 498 H LYS A 679 30.008 1.087 -2.022 1.00 0.00 H ATOM 499 N GLN A 680 31.607 -0.658 0.268 1.00 51.86 N ATOM 500 CA GLN A 680 31.979 -1.767 1.129 1.00 52.70 C ATOM 501 C GLN A 680 32.826 -2.782 0.377 1.00 53.22 C ATOM 502 O GLN A 680 33.829 -3.280 0.904 1.00 55.11 O ATOM 503 CB GLN A 680 30.736 -2.439 1.695 1.00 59.45 C ATOM 504 CG GLN A 680 30.028 -1.620 2.743 1.00 65.81 C ATOM 505 CD GLN A 680 28.868 -2.369 3.349 1.00 77.34 C ATOM 506 OE1 GLN A 680 28.191 -3.143 2.666 1.00 74.81 O ATOM 507 NE2 GLN A 680 28.642 -2.166 4.644 1.00 81.43 N ATOM 508 HE22 GLN A 680 29.240 -1.504 5.179 1.00 0.00 H ATOM 509 HE21 GLN A 680 27.868 -2.670 5.122 1.00 0.00 H ATOM 510 H GLN A 680 30.603 -0.490 0.057 1.00 0.00 H ATOM 511 N ASN A 681 32.415 -3.085 -0.848 1.00 52.25 N ATOM 512 CA ASN A 681 33.168 -3.977 -1.719 1.00 54.98 C ATOM 513 C ASN A 681 34.552 -3.429 -2.036 1.00 54.03 C ATOM 514 O ASN A 681 35.533 -4.170 -2.015 1.00 59.81 O ATOM 515 CB ASN A 681 32.405 -4.234 -3.017 1.00 48.39 C ATOM 516 CG ASN A 681 31.164 -5.071 -2.808 1.00 50.60 C ATOM 517 OD1 ASN A 681 31.039 -5.772 -1.806 1.00 58.57 O ATOM 518 ND2 ASN A 681 30.253 -5.026 -3.765 1.00 49.44 N ATOM 519 HD22 ASN A 681 30.401 -4.418 -4.596 1.00 0.00 H ATOM 520 HD21 ASN A 681 29.388 -5.599 -3.687 1.00 0.00 H ATOM 521 H ASN A 681 31.527 -2.672 -1.197 1.00 0.00 H ATOM 522 N LEU A 682 34.619 -2.137 -2.348 1.00 50.57 N ATOM 523 CA LEU A 682 35.897 -1.474 -2.595 1.00 47.65 C ATOM 524 C LEU A 682 36.858 -1.710 -1.430 1.00 57.18 C ATOM 525 O LEU A 682 37.992 -2.158 -1.627 1.00 61.19 O ATOM 526 CB LEU A 682 35.687 0.033 -2.819 1.00 50.12 C ATOM 527 CG LEU A 682 36.818 0.916 -3.367 1.00 47.27 C ATOM 528 CD1 LEU A 682 36.234 2.232 -3.871 1.00 51.12 C ATOM 529 CD2 LEU A 682 37.902 1.223 -2.343 1.00 55.92 C ATOM 530 H LEU A 682 33.740 -1.586 -2.418 1.00 0.00 H ATOM 531 N GLU A 683 36.401 -1.410 -0.219 1.00 55.59 N ATOM 532 CA GLU A 683 37.264 -1.488 0.962 1.00 61.03 C ATOM 533 C GLU A 683 37.605 -2.922 1.344 1.00 61.77 C ATOM 534 O GLU A 683 38.575 -3.167 2.072 1.00 65.11 O ATOM 535 CB GLU A 683 36.608 -0.774 2.148 1.00 65.65 C ATOM 536 CG GLU A 683 36.233 0.675 1.878 1.00 66.11 C ATOM 537 CD GLU A 683 37.430 1.550 1.555 1.00 71.23 C ATOM 538 OE1 GLU A 683 38.571 1.150 1.871 1.00 77.35 O ATOM 539 OE2 GLU A 683 37.236 2.641 0.987 1.00 73.31 O ATOM 540 H GLU A 683 35.410 -1.114 -0.107 1.00 0.00 H ATOM 541 N ALA A 684 36.809 -3.869 0.858 1.00 57.34 N ATOM 542 CA ALA A 684 37.077 -5.286 1.077 1.00 59.55 C ATOM 543 C ALA A 684 37.976 -5.836 -0.026 1.00 61.84 C ATOM 544 O ALA A 684 38.148 -7.055 -0.150 1.00 63.53 O ATOM 545 CB ALA A 684 35.778 -6.071 1.140 1.00 58.31 C ATOM 546 H ALA A 684 35.972 -3.592 0.306 1.00 0.00 H ATOM 547 N TYR A 685 38.544 -4.925 -0.813 1.00 59.63 N ATOM 548 CA TYR A 685 39.408 -5.259 -1.942 1.00 61.08 C ATOM 549 C TYR A 685 38.748 -6.184 -2.947 1.00 56.17 C ATOM 550 O TYR A 685 39.403 -7.079 -3.480 1.00 60.75 O ATOM 551 CB TYR A 685 40.710 -5.912 -1.456 1.00 59.20 C ATOM 552 CG TYR A 685 41.442 -5.121 -0.411 1.00 66.47 C ATOM 553 CD1 TYR A 685 42.025 -3.900 -0.715 1.00 64.23 C ATOM 554 CD2 TYR A 685 41.564 -5.602 0.885 1.00 74.52 C ATOM 555 CE1 TYR A 685 42.701 -3.177 0.245 1.00 70.27 C ATOM 556 CE2 TYR A 685 42.234 -4.884 1.851 1.00 75.00 C ATOM 557 CZ TYR A 685 42.800 -3.671 1.526 1.00 74.79 C ATOM 558 OH TYR A 685 43.474 -2.951 2.487 1.00 82.19 O ATOM 559 HH TYR A 685 43.815 -2.111 2.089 1.00 0.00 H ATOM 560 H TYR A 685 38.363 -3.921 -0.613 1.00 0.00 H ATOM 561 N ARG A 686 37.460 -5.996 -3.205 1.00 52.75 N ATOM 562 CA ARG A 686 36.782 -6.846 -4.172 1.00 49.01 C ATOM 563 C ARG A 686 36.922 -6.292 -5.591 1.00 50.68 C ATOM 564 O ARG A 686 36.632 -6.990 -6.563 1.00 48.84 O ATOM 565 CB ARG A 686 35.300 -7.012 -3.816 1.00 60.17 C ATOM 566 CG ARG A 686 35.041 -7.584 -2.424 1.00 60.12 C ATOM 567 CD ARG A 686 35.715 -8.926 -2.230 1.00 65.54 C ATOM 568 H ARG A 686 36.936 -5.242 -2.717 1.00 0.00 H ATOM 569 N TYR A 687 37.346 -5.032 -5.707 1.00 46.56 N ATOM 570 CA TYR A 687 37.574 -4.408 -7.017 1.00 44.23 C ATOM 571 C TYR A 687 39.060 -4.237 -7.241 1.00 46.51 C ATOM 572 O TYR A 687 39.664 -3.318 -6.691 1.00 47.86 O ATOM 573 CB TYR A 687 36.900 -3.034 -7.124 1.00 42.29 C ATOM 574 CG TYR A 687 35.418 -3.044 -6.876 1.00 45.54 C ATOM 575 CD1 TYR A 687 34.610 -4.022 -7.441 1.00 39.02 C ATOM 576 CD2 TYR A 687 34.830 -2.082 -6.061 1.00 43.43 C ATOM 577 CE1 TYR A 687 33.247 -4.044 -7.210 1.00 41.19 C ATOM 578 CE2 TYR A 687 33.471 -2.091 -5.824 1.00 44.18 C ATOM 579 CZ TYR A 687 32.685 -3.072 -6.398 1.00 38.73 C ATOM 580 OH TYR A 687 31.326 -3.087 -6.164 1.00 47.17 O ATOM 581 HH TYR A 687 30.918 -3.849 -6.646 1.00 0.00 H ATOM 582 H TYR A 687 37.520 -4.476 -4.845 1.00 0.00 H ATOM 583 N LEU A 688 39.664 -5.124 -8.027 1.00 46.59 N ATOM 584 CA LEU A 688 41.092 -5.017 -8.308 1.00 49.23 C ATOM 585 C LEU A 688 41.364 -4.571 -9.750 1.00 48.48 C ATOM 586 O LEU A 688 42.511 -4.427 -10.162 1.00 50.87 O ATOM 587 CB LEU A 688 41.784 -6.359 -8.013 1.00 52.03 C ATOM 588 CG LEU A 688 41.618 -6.858 -6.577 1.00 53.55 C ATOM 589 CD1 LEU A 688 42.306 -8.218 -6.389 1.00 56.61 C ATOM 590 CD2 LEU A 688 42.177 -5.861 -5.571 1.00 55.19 C ATOM 591 H LEU A 688 39.113 -5.901 -8.445 1.00 0.00 H ATOM 592 N ASN A 689 40.303 -4.331 -10.517 1.00 45.60 N ATOM 593 CA ASN A 689 40.457 -3.752 -11.844 1.00 45.08 C ATOM 594 C ASN A 689 39.231 -2.914 -12.158 1.00 41.92 C ATOM 595 O ASN A 689 38.221 -3.015 -11.459 1.00 40.17 O ATOM 596 CB ASN A 689 40.652 -4.821 -12.910 1.00 45.94 C ATOM 597 CG ASN A 689 39.596 -5.882 -12.853 1.00 44.36 C ATOM 598 OD1 ASN A 689 38.428 -5.622 -13.124 1.00 41.66 O ATOM 599 ND2 ASN A 689 40.003 -7.100 -12.510 1.00 54.27 N ATOM 600 HD22 ASN A 689 41.005 -7.271 -12.289 1.00 0.00 H ATOM 601 HD21 ASN A 689 39.320 -7.882 -12.463 1.00 0.00 H ATOM 602 H ASN A 689 39.352 -4.560 -10.164 1.00 0.00 H ATOM 603 N PHE A 690 39.298 -2.088 -13.193 1.00 43.13 N ATOM 604 CA PHE A 690 38.150 -1.214 -13.424 1.00 45.17 C ATOM 605 C PHE A 690 36.964 -1.987 -13.952 1.00 37.42 C ATOM 606 O PHE A 690 35.833 -1.663 -13.629 1.00 38.92 O ATOM 607 CB PHE A 690 38.459 -0.054 -14.369 1.00 58.39 C ATOM 608 CG PHE A 690 38.633 1.262 -13.654 1.00 62.09 C ATOM 609 CD1 PHE A 690 39.491 1.354 -12.564 1.00 66.08 C ATOM 610 CD2 PHE A 690 37.871 2.369 -13.998 1.00 64.34 C ATOM 611 CE1 PHE A 690 39.666 2.556 -11.891 1.00 67.95 C ATOM 612 CE2 PHE A 690 38.010 3.556 -13.308 1.00 57.28 C ATOM 613 CZ PHE A 690 38.908 3.645 -12.242 1.00 63.43 C ATOM 614 H PHE A 690 40.132 -2.063 -13.814 1.00 0.00 H ATOM 615 N ASP A 691 37.207 -3.038 -14.731 1.00 38.26 N ATOM 616 CA ASP A 691 36.103 -3.823 -15.257 1.00 36.61 C ATOM 617 C ASP A 691 35.143 -4.278 -14.170 1.00 35.21 C ATOM 618 O ASP A 691 33.935 -4.187 -14.339 1.00 38.69 O ATOM 619 CB ASP A 691 36.618 -5.047 -16.016 1.00 49.96 C ATOM 620 CG ASP A 691 36.932 -4.742 -17.462 1.00 56.36 C ATOM 621 OD1 ASP A 691 36.612 -3.628 -17.919 1.00 53.34 O ATOM 622 OD2 ASP A 691 37.469 -5.634 -18.150 1.00 61.08 O ATOM 623 H ASP A 691 38.187 -3.298 -14.963 1.00 0.00 H ATOM 624 N ASP A 692 35.668 -4.798 -13.065 1.00 38.68 N ATOM 625 CA ASP A 692 34.748 -5.310 -12.055 1.00 48.80 C ATOM 626 C ASP A 692 34.032 -4.231 -11.280 1.00 39.55 C ATOM 627 O ASP A 692 32.918 -4.447 -10.824 1.00 42.40 O ATOM 628 CB ASP A 692 35.462 -6.180 -11.078 1.00 48.27 C ATOM 629 CG ASP A 692 35.912 -7.455 -11.695 1.00 45.21 C ATOM 630 OD1 ASP A 692 35.278 -7.915 -12.678 1.00 47.67 O ATOM 631 OD2 ASP A 692 36.922 -7.955 -11.207 1.00 42.46 O ATOM 632 H ASP A 692 36.698 -4.838 -12.925 1.00 0.00 H ATOM 633 N PHE A 693 34.716 -3.115 -11.066 1.00 35.44 N ATOM 634 CA PHE A 693 34.090 -1.911 -10.512 1.00 33.69 C ATOM 635 C PHE A 693 32.912 -1.498 -11.381 1.00 39.76 C ATOM 636 O PHE A 693 31.780 -1.320 -10.902 1.00 35.41 O ATOM 637 CB PHE A 693 35.111 -0.783 -10.438 1.00 34.98 C ATOM 638 CG PHE A 693 34.576 0.506 -9.871 1.00 34.57 C ATOM 639 CD1 PHE A 693 34.469 0.689 -8.503 1.00 35.82 C ATOM 640 CD2 PHE A 693 34.191 1.527 -10.715 1.00 36.10 C ATOM 641 CE1 PHE A 693 33.991 1.887 -7.979 1.00 37.80 C ATOM 642 CE2 PHE A 693 33.713 2.728 -10.201 1.00 39.89 C ATOM 643 CZ PHE A 693 33.611 2.901 -8.835 1.00 40.51 C ATOM 644 H PHE A 693 35.729 -3.093 -11.299 1.00 0.00 H ATOM 645 N GLU A 694 33.206 -1.348 -12.667 1.00 34.67 N ATOM 646 CA GLU A 694 32.232 -0.906 -13.654 1.00 36.05 C ATOM 647 C GLU A 694 31.093 -1.915 -13.776 1.00 40.35 C ATOM 648 O GLU A 694 29.942 -1.530 -14.054 1.00 42.50 O ATOM 649 CB GLU A 694 32.923 -0.670 -15.000 1.00 44.53 C ATOM 650 CG GLU A 694 32.071 0.066 -16.031 1.00 59.97 C ATOM 651 CD GLU A 694 32.833 0.368 -17.308 1.00 71.61 C ATOM 652 OE1 GLU A 694 34.056 0.608 -17.230 1.00 75.43 O ATOM 653 OE2 GLU A 694 32.207 0.383 -18.389 1.00 78.10 O ATOM 654 H GLU A 694 34.175 -1.555 -12.983 1.00 0.00 H ATOM 655 N GLU A 695 31.399 -3.191 -13.550 1.00 37.27 N ATOM 656 CA GLU A 695 30.386 -4.248 -13.563 1.00 45.14 C ATOM 657 C GLU A 695 29.265 -3.977 -12.559 1.00 46.08 C ATOM 658 O GLU A 695 28.080 -4.024 -12.919 1.00 38.08 O ATOM 659 CB GLU A 695 31.038 -5.598 -13.277 1.00 48.44 C ATOM 660 CG GLU A 695 30.095 -6.768 -13.215 1.00 59.20 C ATOM 661 CD GLU A 695 30.847 -8.080 -13.275 1.00 60.86 C ATOM 662 OE1 GLU A 695 31.551 -8.300 -14.283 1.00 59.02 O ATOM 663 OE2 GLU A 695 30.752 -8.873 -12.315 1.00 67.85 O ATOM 664 H GLU A 695 32.389 -3.445 -13.358 1.00 0.00 H ATOM 665 N ASP A 696 29.644 -3.663 -11.318 1.00 41.54 N ATOM 666 CA ASP A 696 28.678 -3.390 -10.255 1.00 35.00 C ATOM 667 C ASP A 696 27.932 -2.071 -10.454 1.00 35.82 C ATOM 668 O ASP A 696 26.745 -1.963 -10.109 1.00 36.31 O ATOM 669 CB ASP A 696 29.377 -3.404 -8.891 1.00 38.18 C ATOM 670 CG ASP A 696 29.466 -4.801 -8.306 1.00 44.14 C ATOM 671 OD1 ASP A 696 28.804 -5.699 -8.861 1.00 43.00 O ATOM 672 OD2 ASP A 696 30.179 -4.998 -7.300 1.00 47.57 O ATOM 673 H ASP A 696 30.660 -3.611 -11.100 1.00 0.00 H ATOM 674 N PHE A 697 28.607 -1.069 -11.010 1.00 31.68 N ATOM 675 CA PHE A 697 27.917 0.167 -11.365 1.00 29.87 C ATOM 676 C PHE A 697 26.839 -0.143 -12.395 1.00 30.36 C ATOM 677 O PHE A 697 25.707 0.320 -12.286 1.00 30.20 O ATOM 678 CB PHE A 697 28.869 1.210 -11.928 1.00 29.51 C ATOM 679 CG PHE A 697 28.166 2.359 -12.564 1.00 30.42 C ATOM 680 CD1 PHE A 697 27.564 3.324 -11.786 1.00 34.29 C ATOM 681 CD2 PHE A 697 28.087 2.462 -13.946 1.00 33.05 C ATOM 682 CE1 PHE A 697 26.894 4.369 -12.384 1.00 32.54 C ATOM 683 CE2 PHE A 697 27.435 3.498 -14.542 1.00 32.51 C ATOM 684 CZ PHE A 697 26.839 4.460 -13.758 1.00 30.10 C ATOM 685 H PHE A 697 29.626 -1.166 -11.192 1.00 0.00 H ATOM 686 N ASN A 698 27.196 -0.946 -13.390 1.00 30.98 N ATOM 687 CA ASN A 698 26.244 -1.299 -14.448 1.00 31.73 C ATOM 688 C ASN A 698 25.028 -2.022 -13.890 1.00 30.46 C ATOM 689 O ASN A 698 23.917 -1.859 -14.400 1.00 32.14 O ATOM 690 CB ASN A 698 26.940 -2.170 -15.503 1.00 31.64 C ATOM 691 CG ASN A 698 27.836 -1.361 -16.441 1.00 30.16 C ATOM 692 OD1 ASN A 698 27.727 -0.141 -16.555 1.00 33.03 O ATOM 693 ND2 ASN A 698 28.733 -2.059 -17.128 1.00 35.96 N ATOM 694 HD22 ASN A 698 28.795 -3.090 -17.005 1.00 0.00 H ATOM 695 HD21 ASN A 698 29.373 -1.575 -17.789 1.00 0.00 H ATOM 696 H ASN A 698 28.162 -1.329 -13.419 1.00 0.00 H ATOM 697 N LEU A 699 25.238 -2.815 -12.839 1.00 29.52 N ATOM 698 CA LEU A 699 24.145 -3.491 -12.138 1.00 35.74 C ATOM 699 C LEU A 699 23.166 -2.490 -11.545 1.00 31.58 C ATOM 700 O LEU A 699 21.949 -2.658 -11.659 1.00 34.21 O ATOM 701 CB LEU A 699 24.679 -4.386 -11.018 1.00 39.51 C ATOM 702 CG LEU A 699 24.977 -5.847 -11.325 1.00 39.82 C ATOM 703 CD1 LEU A 699 25.430 -6.524 -10.046 1.00 44.09 C ATOM 704 CD2 LEU A 699 23.741 -6.535 -11.889 1.00 36.93 C ATOM 705 H LEU A 699 26.213 -2.958 -12.505 1.00 0.00 H ATOM 706 N ILE A 700 23.693 -1.466 -10.883 1.00 29.91 N ATOM 707 CA ILE A 700 22.843 -0.410 -10.324 1.00 29.52 C ATOM 708 C ILE A 700 21.917 0.107 -11.423 1.00 31.74 C ATOM 709 O ILE A 700 20.700 0.240 -11.236 1.00 34.69 O ATOM 710 CB ILE A 700 23.666 0.744 -9.744 1.00 31.56 C ATOM 711 CG1 ILE A 700 24.477 0.248 -8.551 1.00 31.85 C ATOM 712 CG2 ILE A 700 22.766 1.894 -9.255 1.00 30.74 C ATOM 713 CD1 ILE A 700 25.328 1.320 -7.916 1.00 32.31 C ATOM 714 H ILE A 700 24.724 -1.412 -10.759 1.00 0.00 H ATOM 715 N VAL A 701 22.498 0.381 -12.581 1.00 27.69 N ATOM 716 CA VAL A 701 21.726 0.915 -13.696 1.00 25.76 C ATOM 717 C VAL A 701 20.757 -0.121 -14.257 1.00 28.90 C ATOM 718 O VAL A 701 19.557 0.163 -14.365 1.00 29.87 O ATOM 719 CB VAL A 701 22.632 1.408 -14.842 1.00 25.92 C ATOM 720 CG1 VAL A 701 21.805 1.748 -16.089 1.00 27.47 C ATOM 721 CG2 VAL A 701 23.416 2.637 -14.407 1.00 29.01 C ATOM 722 H VAL A 701 23.518 0.213 -12.696 1.00 0.00 H ATOM 723 N SER A 702 21.243 -1.305 -14.592 1.00 28.12 N ATOM 724 CA SER A 702 20.389 -2.291 -15.250 1.00 27.62 C ATOM 725 C SER A 702 19.291 -2.829 -14.335 1.00 31.73 C ATOM 726 O SER A 702 18.195 -3.114 -14.804 1.00 28.48 O ATOM 727 CB SER A 702 21.224 -3.449 -15.805 1.00 26.84 C ATOM 728 OG SER A 702 21.886 -4.175 -14.779 1.00 28.41 O ATOM 729 HG SER A 702 22.411 -4.911 -15.183 1.00 0.00 H ATOM 730 H SER A 702 22.236 -1.535 -14.386 1.00 0.00 H ATOM 731 N ASN A 703 19.571 -2.957 -13.038 1.00 33.14 N ATOM 732 CA ASN A 703 18.533 -3.403 -12.109 1.00 31.04 C ATOM 733 C ASN A 703 17.356 -2.456 -12.140 1.00 33.29 C ATOM 734 O ASN A 703 16.200 -2.866 -12.149 1.00 35.13 O ATOM 735 CB ASN A 703 19.047 -3.493 -10.679 1.00 33.27 C ATOM 736 CG ASN A 703 19.959 -4.674 -10.465 1.00 33.73 C ATOM 737 OD1 ASN A 703 19.987 -5.613 -11.270 1.00 37.51 O ATOM 738 ND2 ASN A 703 20.679 -4.665 -9.341 1.00 37.27 N ATOM 739 HD22 ASN A 703 20.623 -3.853 -8.694 1.00 0.00 H ATOM 740 HD21 ASN A 703 21.296 -5.470 -9.112 1.00 0.00 H ATOM 741 H ASN A 703 20.526 -2.740 -12.687 1.00 0.00 H ATOM 742 N CYS A 704 17.675 -1.173 -12.176 1.00 30.41 N ATOM 743 CA CYS A 704 16.655 -0.143 -12.120 1.00 31.27 C ATOM 744 C CYS A 704 15.865 -0.091 -13.435 1.00 30.08 C ATOM 745 O CYS A 704 14.638 0.050 -13.430 1.00 32.58 O ATOM 746 CB CYS A 704 17.316 1.199 -11.811 1.00 28.01 C ATOM 747 SG CYS A 704 16.154 2.544 -11.478 1.00 33.98 S ATOM 748 H CYS A 704 18.675 -0.897 -12.246 1.00 0.00 H ATOM 749 N LEU A 705 16.561 -0.211 -14.560 1.00 26.86 N ATOM 750 CA LEU A 705 15.880 -0.279 -15.851 1.00 26.15 C ATOM 751 C LEU A 705 14.978 -1.517 -15.904 1.00 27.42 C ATOM 752 O LEU A 705 13.874 -1.471 -16.462 1.00 31.67 O ATOM 753 CB LEU A 705 16.890 -0.331 -17.009 1.00 25.46 C ATOM 754 CG LEU A 705 17.835 0.865 -17.161 1.00 26.16 C ATOM 755 CD1 LEU A 705 18.845 0.523 -18.255 1.00 32.81 C ATOM 756 CD2 LEU A 705 17.086 2.147 -17.482 1.00 32.51 C ATOM 757 H LEU A 705 17.599 -0.257 -14.522 1.00 0.00 H ATOM 758 N LYS A 706 15.450 -2.633 -15.345 1.00 29.19 N ATOM 759 CA LYS A 706 14.665 -3.876 -15.357 1.00 29.31 C ATOM 760 C LYS A 706 13.405 -3.789 -14.508 1.00 35.19 C ATOM 761 O LYS A 706 12.306 -4.119 -14.970 1.00 34.76 O ATOM 762 CB LYS A 706 15.511 -5.057 -14.873 1.00 29.25 C ATOM 763 CG LYS A 706 14.681 -6.330 -14.702 1.00 36.62 C ATOM 764 CD LYS A 706 15.525 -7.508 -14.238 1.00 51.61 C ATOM 765 CE LYS A 706 16.417 -8.019 -15.349 1.00 65.10 C ATOM 766 H LYS A 706 16.387 -2.623 -14.894 1.00 0.00 H ATOM 767 N TYR A 707 13.557 -3.344 -13.267 1.00 32.73 N ATOM 768 CA TYR A 707 12.444 -3.393 -12.330 1.00 39.49 C ATOM 769 C TYR A 707 11.337 -2.392 -12.651 1.00 41.45 C ATOM 770 O TYR A 707 10.150 -2.710 -12.527 1.00 40.50 O ATOM 771 CB TYR A 707 12.937 -3.165 -10.905 1.00 42.50 C ATOM 772 CG TYR A 707 11.818 -3.345 -9.916 1.00 46.31 C ATOM 773 CD1 TYR A 707 11.337 -4.615 -9.619 1.00 47.17 C ATOM 774 CD2 TYR A 707 11.210 -2.254 -9.321 1.00 46.54 C ATOM 775 CE1 TYR A 707 10.297 -4.796 -8.734 1.00 54.46 C ATOM 776 CE2 TYR A 707 10.158 -2.427 -8.429 1.00 47.45 C ATOM 777 CZ TYR A 707 9.712 -3.704 -8.141 1.00 48.58 C ATOM 778 OH TYR A 707 8.669 -3.898 -7.262 1.00 50.08 O ATOM 779 HH TYR A 707 8.487 -4.867 -7.177 1.00 0.00 H ATOM 780 H TYR A 707 14.474 -2.959 -12.963 1.00 0.00 H ATOM 781 N ASN A 708 11.718 -1.194 -13.075 1.00 39.11 N ATOM 782 CA ASN A 708 10.775 -0.078 -13.180 1.00 37.01 C ATOM 783 C ASN A 708 10.239 0.164 -14.582 1.00 30.99 C ATOM 784 O ASN A 708 10.962 0.025 -15.566 1.00 32.41 O ATOM 785 CB ASN A 708 11.435 1.200 -12.674 1.00 36.30 C ATOM 786 CG ASN A 708 11.823 1.107 -11.221 1.00 44.83 C ATOM 787 OD1 ASN A 708 10.981 1.263 -10.340 1.00 43.48 O ATOM 788 ND2 ASN A 708 13.096 0.856 -10.959 1.00 38.83 N ATOM 789 HD22 ASN A 708 13.773 0.731 -11.739 1.00 0.00 H ATOM 790 HD21 ASN A 708 13.420 0.783 -9.973 1.00 0.00 H ATOM 791 H ASN A 708 12.712 -1.043 -13.340 1.00 0.00 H ATOM 792 N ALA A 709 8.972 0.557 -14.666 1.00 32.55 N ATOM 793 CA ALA A 709 8.363 0.872 -15.951 1.00 33.58 C ATOM 794 C ALA A 709 9.079 2.029 -16.624 1.00 32.07 C ATOM 795 O ALA A 709 9.675 2.881 -15.944 1.00 33.01 O ATOM 796 CB ALA A 709 6.888 1.182 -15.777 1.00 34.90 C ATOM 797 H ALA A 709 8.405 0.641 -13.798 1.00 0.00 H ATOM 798 N LYS A 710 9.023 2.069 -17.952 1.00 31.66 N ATOM 799 CA LYS A 710 9.754 3.087 -18.705 1.00 34.88 C ATOM 800 C LYS A 710 9.261 4.479 -18.386 1.00 38.34 C ATOM 801 O LYS A 710 10.017 5.445 -18.510 1.00 42.22 O ATOM 802 CB LYS A 710 9.644 2.853 -20.211 1.00 34.97 C ATOM 803 CG LYS A 710 10.446 1.674 -20.698 1.00 33.74 C ATOM 804 CD LYS A 710 10.395 1.512 -22.218 1.00 41.31 C ATOM 805 CE LYS A 710 11.381 2.444 -22.901 1.00 38.74 C ATOM 806 NZ LYS A 710 11.232 2.411 -24.368 1.00 35.71 N ATOM 807 HZ1 LYS A 710 11.402 1.444 -24.711 1.00 0.00 H ATOM 808 HZ2 LYS A 710 10.268 2.707 -24.624 1.00 0.00 H ATOM 809 HZ3 LYS A 710 11.921 3.059 -24.800 1.00 0.00 H ATOM 810 H LYS A 710 8.451 1.366 -18.462 1.00 0.00 H ATOM 811 N ASP A 711 8.000 4.601 -17.971 1.00 35.21 N ATOM 812 CA ASP A 711 7.410 5.925 -17.794 1.00 40.52 C ATOM 813 C ASP A 711 7.593 6.498 -16.384 1.00 45.66 C ATOM 814 O ASP A 711 6.979 7.497 -16.040 1.00 46.21 O ATOM 815 CB ASP A 711 5.919 5.893 -18.151 1.00 42.94 C ATOM 816 CG ASP A 711 5.081 5.122 -17.143 1.00 52.24 C ATOM 817 OD1 ASP A 711 5.649 4.418 -16.284 1.00 54.35 O ATOM 818 OD2 ASP A 711 3.838 5.202 -17.230 1.00 60.24 O ATOM 819 H ASP A 711 7.435 3.751 -17.773 1.00 0.00 H ATOM 820 N THR A 712 8.439 5.856 -15.586 1.00 42.21 N ATOM 821 CA THR A 712 8.665 6.259 -14.200 1.00 40.21 C ATOM 822 C THR A 712 9.877 7.162 -14.047 1.00 42.07 C ATOM 823 O THR A 712 10.801 7.136 -14.862 1.00 37.88 O ATOM 824 CB THR A 712 8.874 5.034 -13.285 1.00 36.33 C ATOM 825 OG1 THR A 712 10.085 4.349 -13.666 1.00 33.81 O ATOM 826 CG2 THR A 712 7.687 4.083 -13.381 1.00 36.93 C ATOM 827 HG1 THR A 712 10.011 4.050 -14.607 1.00 0.00 H ATOM 828 H THR A 712 8.959 5.037 -15.961 1.00 0.00 H ATOM 829 N ILE A 713 9.866 7.967 -12.992 1.00 42.18 N ATOM 830 CA ILE A 713 11.042 8.741 -12.638 1.00 44.54 C ATOM 831 C ILE A 713 12.266 7.836 -12.471 1.00 43.90 C ATOM 832 O ILE A 713 13.342 8.153 -12.988 1.00 38.47 O ATOM 833 CB ILE A 713 10.812 9.550 -11.347 1.00 43.74 C ATOM 834 CG1 ILE A 713 9.639 10.501 -11.534 1.00 60.10 C ATOM 835 CG2 ILE A 713 12.066 10.316 -10.974 1.00 48.62 C ATOM 836 CD1 ILE A 713 9.920 11.597 -12.513 1.00 59.08 C ATOM 837 H ILE A 713 9.006 8.044 -12.413 1.00 0.00 H ATOM 838 N PHE A 714 12.089 6.700 -11.786 1.00 40.10 N ATOM 839 CA PHE A 714 13.178 5.766 -11.527 1.00 38.24 C ATOM 840 C PHE A 714 13.866 5.326 -12.801 1.00 37.32 C ATOM 841 O PHE A 714 15.085 5.292 -12.859 1.00 32.91 O ATOM 842 CB PHE A 714 12.687 4.516 -10.795 1.00 42.76 C ATOM 843 CG PHE A 714 12.333 4.739 -9.353 1.00 50.44 C ATOM 844 CD1 PHE A 714 13.315 5.008 -8.417 1.00 50.07 C ATOM 845 CD2 PHE A 714 11.022 4.618 -8.925 1.00 54.68 C ATOM 846 CE1 PHE A 714 12.994 5.187 -7.091 1.00 56.30 C ATOM 847 CE2 PHE A 714 10.696 4.797 -7.599 1.00 57.01 C ATOM 848 CZ PHE A 714 11.685 5.082 -6.682 1.00 59.50 C ATOM 849 H PHE A 714 11.140 6.475 -11.425 1.00 0.00 H ATOM 850 N TYR A 715 13.083 4.965 -13.814 1.00 35.62 N ATOM 851 CA TYR A 715 13.670 4.490 -15.058 1.00 30.70 C ATOM 852 C TYR A 715 14.501 5.598 -15.716 1.00 30.13 C ATOM 853 O TYR A 715 15.633 5.346 -16.136 1.00 28.92 O ATOM 854 CB TYR A 715 12.580 3.980 -16.005 1.00 30.90 C ATOM 855 CG TYR A 715 13.095 3.303 -17.253 1.00 25.78 C ATOM 856 CD1 TYR A 715 13.512 4.053 -18.351 1.00 28.93 C ATOM 857 CD2 TYR A 715 13.112 1.906 -17.366 1.00 25.29 C ATOM 858 CE1 TYR A 715 13.986 3.434 -19.496 1.00 27.56 C ATOM 859 CE2 TYR A 715 13.601 1.294 -18.497 1.00 25.89 C ATOM 860 CZ TYR A 715 14.006 2.061 -19.570 1.00 28.32 C ATOM 861 OH TYR A 715 14.455 1.466 -20.714 1.00 29.27 O ATOM 862 HH TYR A 715 14.701 2.163 -21.373 1.00 0.00 H ATOM 863 H TYR A 715 12.049 5.022 -13.717 1.00 0.00 H ATOM 864 N ARG A 716 13.953 6.808 -15.787 1.00 30.03 N ATOM 865 CA ARG A 716 14.678 7.920 -16.394 1.00 31.12 C ATOM 866 C ARG A 716 15.924 8.283 -15.598 1.00 30.15 C ATOM 867 O ARG A 716 16.937 8.682 -16.175 1.00 31.92 O ATOM 868 CB ARG A 716 13.772 9.139 -16.538 1.00 34.94 C ATOM 869 CG ARG A 716 13.517 9.489 -17.986 1.00 42.50 C ATOM 870 CD ARG A 716 14.826 9.737 -18.717 1.00 46.75 C ATOM 871 NE ARG A 716 14.668 9.727 -20.166 1.00 43.49 N ATOM 872 CZ ARG A 716 15.515 10.309 -21.009 1.00 49.88 C ATOM 873 NH1 ARG A 716 15.298 10.257 -22.316 1.00 53.92 N ATOM 874 NH2 ARG A 716 16.576 10.954 -20.543 1.00 49.42 N ATOM 875 HE ARG A 716 13.843 9.235 -20.564 1.00 0.00 H ATOM 876 HH12 ARG A 716 15.963 10.714 -22.972 1.00 0.00 H ATOM 877 HH11 ARG A 716 14.463 9.760 -22.685 1.00 0.00 H ATOM 878 HH22 ARG A 716 17.239 11.409 -21.202 1.00 0.00 H ATOM 879 HH21 ARG A 716 16.745 11.004 -19.518 1.00 0.00 H ATOM 880 H ARG A 716 12.998 6.963 -15.406 1.00 0.00 H ATOM 881 N ALA A 717 15.852 8.137 -14.280 1.00 31.34 N ATOM 882 CA ALA A 717 17.028 8.348 -13.410 1.00 34.32 C ATOM 883 C ALA A 717 18.156 7.401 -13.783 1.00 30.15 C ATOM 884 O ALA A 717 19.339 7.770 -13.768 1.00 34.36 O ATOM 885 CB ALA A 717 16.677 8.150 -11.953 1.00 35.44 C ATOM 886 H ALA A 717 14.945 7.867 -13.849 1.00 0.00 H ATOM 887 N ALA A 718 17.789 6.156 -14.045 1.00 27.89 N ATOM 888 CA ALA A 718 18.794 5.171 -14.415 1.00 24.10 C ATOM 889 C ALA A 718 19.405 5.481 -15.781 1.00 29.33 C ATOM 890 O ALA A 718 20.608 5.305 -15.987 1.00 28.95 O ATOM 891 CB ALA A 718 18.185 3.760 -14.395 1.00 26.37 C ATOM 892 H ALA A 718 16.787 5.883 -13.987 1.00 0.00 H ATOM 893 N VAL A 719 18.589 5.935 -16.726 1.00 26.54 N ATOM 894 CA VAL A 719 19.103 6.344 -18.032 1.00 27.57 C ATOM 895 C VAL A 719 20.095 7.505 -17.875 1.00 28.48 C ATOM 896 O VAL A 719 21.171 7.497 -18.468 1.00 30.72 O ATOM 897 CB VAL A 719 17.972 6.748 -18.984 1.00 27.26 C ATOM 898 CG1 VAL A 719 18.537 7.343 -20.265 1.00 30.42 C ATOM 899 CG2 VAL A 719 17.118 5.507 -19.323 1.00 30.08 C ATOM 900 H VAL A 719 17.569 6.000 -16.534 1.00 0.00 H ATOM 901 N ARG A 720 19.740 8.485 -17.058 1.00 25.49 N ATOM 902 CA ARG A 720 20.611 9.629 -16.814 1.00 26.78 C ATOM 903 C ARG A 720 21.882 9.168 -16.138 1.00 29.20 C ATOM 904 O ARG A 720 22.974 9.635 -16.470 1.00 31.13 O ATOM 905 CB ARG A 720 19.928 10.697 -15.950 1.00 31.83 C ATOM 906 CG ARG A 720 20.733 11.974 -15.848 1.00 39.17 C ATOM 907 CD ARG A 720 20.000 13.020 -15.027 1.00 43.12 C ATOM 908 NE ARG A 720 19.847 12.602 -13.633 1.00 44.18 N ATOM 909 CZ ARG A 720 19.279 13.364 -12.703 1.00 51.65 C ATOM 910 NH1 ARG A 720 18.826 14.558 -13.039 1.00 50.87 N ATOM 911 NH2 ARG A 720 19.160 12.934 -11.453 1.00 55.95 N ATOM 912 HE ARG A 720 20.200 11.664 -13.356 1.00 0.00 H ATOM 913 HH12 ARG A 720 18.379 15.165 -12.323 1.00 0.00 H ATOM 914 HH11 ARG A 720 18.916 14.891 -14.020 1.00 0.00 H ATOM 915 HH22 ARG A 720 18.714 13.540 -10.735 1.00 0.00 H ATOM 916 HH21 ARG A 720 19.513 11.991 -11.192 1.00 0.00 H ATOM 917 H ARG A 720 18.818 8.438 -16.579 1.00 0.00 H ATOM 918 N LEU A 721 21.746 8.259 -15.183 1.00 29.26 N ATOM 919 CA LEU A 721 22.931 7.772 -14.468 1.00 28.34 C ATOM 920 C LEU A 721 23.832 7.016 -15.434 1.00 30.15 C ATOM 921 O LEU A 721 25.055 7.142 -15.377 1.00 29.88 O ATOM 922 CB LEU A 721 22.552 6.873 -13.292 1.00 30.70 C ATOM 923 CG LEU A 721 23.757 6.349 -12.487 1.00 30.21 C ATOM 924 CD1 LEU A 721 24.590 7.446 -11.882 1.00 34.13 C ATOM 925 CD2 LEU A 721 23.341 5.335 -11.421 1.00 33.47 C ATOM 926 H LEU A 721 20.803 7.892 -14.941 1.00 0.00 H ATOM 927 N ARG A 722 23.229 6.251 -16.332 1.00 25.86 N ATOM 928 CA ARG A 722 23.994 5.534 -17.343 1.00 25.00 C ATOM 929 C ARG A 722 24.828 6.506 -18.177 1.00 28.75 C ATOM 930 O ARG A 722 26.022 6.283 -18.419 1.00 30.47 O ATOM 931 CB ARG A 722 23.060 4.740 -18.246 1.00 27.40 C ATOM 932 CG ARG A 722 23.793 3.839 -19.208 1.00 29.57 C ATOM 933 CD ARG A 722 22.814 3.047 -20.064 1.00 29.86 C ATOM 934 NE ARG A 722 22.061 3.960 -20.913 1.00 28.64 N ATOM 935 CZ ARG A 722 20.843 3.715 -21.384 1.00 31.36 C ATOM 936 NH1 ARG A 722 20.248 2.549 -21.118 1.00 29.16 N ATOM 937 NH2 ARG A 722 20.242 4.620 -22.150 1.00 30.22 N ATOM 938 HE ARG A 722 22.507 4.865 -21.168 1.00 0.00 H ATOM 939 HH12 ARG A 722 19.295 2.356 -21.486 1.00 0.00 H ATOM 940 HH11 ARG A 722 20.738 1.834 -20.543 1.00 0.00 H ATOM 941 HH22 ARG A 722 19.289 4.435 -22.522 1.00 0.00 H ATOM 942 HH21 ARG A 722 20.725 5.513 -22.377 1.00 0.00 H ATOM 943 H ARG A 722 22.193 6.161 -16.315 1.00 0.00 H ATOM 944 N GLU A 723 24.188 7.595 -18.584 1.00 29.83 N ATOM 945 CA GLU A 723 24.825 8.613 -19.401 1.00 30.11 C ATOM 946 C GLU A 723 25.900 9.330 -18.615 1.00 34.69 C ATOM 947 O GLU A 723 27.075 9.349 -19.011 1.00 36.80 O ATOM 948 CB GLU A 723 23.791 9.617 -19.911 1.00 36.23 C ATOM 949 CG GLU A 723 22.747 9.019 -20.851 1.00 42.04 C ATOM 950 CD GLU A 723 21.582 9.967 -21.132 1.00 52.56 C ATOM 951 OE1 GLU A 723 21.501 11.035 -20.486 1.00 53.02 O ATOM 952 OE2 GLU A 723 20.746 9.641 -22.004 1.00 54.31 O ATOM 953 H GLU A 723 23.194 7.724 -18.308 1.00 0.00 H ATOM 954 N GLN A 724 25.511 9.942 -17.501 1.00 32.06 N ATOM 955 CA GLN A 724 26.462 10.759 -16.758 1.00 31.16 C ATOM 956 C GLN A 724 27.542 9.919 -16.093 1.00 37.24 C ATOM 957 O GLN A 724 28.717 10.306 -16.085 1.00 38.25 O ATOM 958 CB GLN A 724 25.729 11.610 -15.722 1.00 33.95 C ATOM 959 CG GLN A 724 24.746 12.553 -16.348 1.00 39.90 C ATOM 960 CD GLN A 724 24.028 13.432 -15.343 1.00 48.62 C ATOM 961 OE1 GLN A 724 23.901 13.090 -14.169 1.00 45.79 O ATOM 962 NE2 GLN A 724 23.548 14.579 -15.810 1.00 53.53 N ATOM 963 HE22 GLN A 724 23.679 14.828 -16.811 1.00 0.00 H ATOM 964 HE21 GLN A 724 23.042 15.228 -15.174 1.00 0.00 H ATOM 965 H GLN A 724 24.533 9.838 -17.162 1.00 0.00 H ATOM 966 N GLY A 725 27.167 8.777 -15.535 1.00 33.95 N ATOM 967 CA GLY A 725 28.145 7.885 -14.936 1.00 37.75 C ATOM 968 C GLY A 725 29.114 7.315 -15.955 1.00 39.36 C ATOM 969 O GLY A 725 30.287 7.087 -15.667 1.00 36.47 O ATOM 970 H GLY A 725 26.160 8.516 -15.526 1.00 0.00 H ATOM 971 N GLY A 726 28.613 7.086 -17.162 1.00 36.39 N ATOM 972 CA GLY A 726 29.429 6.569 -18.246 1.00 40.47 C ATOM 973 C GLY A 726 30.579 7.509 -18.538 1.00 41.18 C ATOM 974 O GLY A 726 31.713 7.076 -18.762 1.00 41.71 O ATOM 975 H GLY A 726 27.607 7.282 -17.337 1.00 0.00 H ATOM 976 N ALA A 727 30.301 8.804 -18.483 1.00 37.79 N ATOM 977 CA ALA A 727 31.327 9.803 -18.725 1.00 35.44 C ATOM 978 C ALA A 727 32.341 9.851 -17.583 1.00 36.74 C ATOM 979 O ALA A 727 33.530 10.013 -17.818 1.00 42.55 O ATOM 980 CB ALA A 727 30.695 11.167 -18.924 1.00 41.45 C ATOM 981 H ALA A 727 29.332 9.110 -18.263 1.00 0.00 H ATOM 982 N VAL A 728 31.862 9.718 -16.351 1.00 36.49 N ATOM 983 CA VAL A 728 32.733 9.655 -15.186 1.00 36.67 C ATOM 984 C VAL A 728 33.672 8.460 -15.294 1.00 37.72 C ATOM 985 O VAL A 728 34.880 8.566 -15.013 1.00 38.64 O ATOM 986 CB VAL A 728 31.920 9.555 -13.877 1.00 38.29 C ATOM 987 CG1 VAL A 728 32.819 9.195 -12.693 1.00 40.27 C ATOM 988 CG2 VAL A 728 31.215 10.876 -13.598 1.00 40.59 C ATOM 989 H VAL A 728 30.833 9.657 -16.214 1.00 0.00 H ATOM 990 N LEU A 729 33.104 7.322 -15.691 1.00 33.78 N ATOM 991 CA LEU A 729 33.867 6.088 -15.780 1.00 33.82 C ATOM 992 C LEU A 729 34.910 6.122 -16.885 1.00 41.37 C ATOM 993 O LEU A 729 36.029 5.650 -16.693 1.00 44.20 O ATOM 994 CB LEU A 729 32.931 4.887 -15.985 1.00 33.00 C ATOM 995 CG LEU A 729 32.270 4.472 -14.679 1.00 36.19 C ATOM 996 CD1 LEU A 729 31.152 3.489 -14.958 1.00 38.38 C ATOM 997 CD2 LEU A 729 33.285 3.862 -13.760 1.00 36.78 C ATOM 998 H LEU A 729 32.095 7.317 -15.942 1.00 0.00 H ATOM 999 N ARG A 730 34.548 6.672 -18.037 1.00 39.78 N ATOM 1000 CA ARG A 730 35.496 6.774 -19.141 1.00 44.94 C ATOM 1001 C ARG A 730 36.732 7.575 -18.740 1.00 46.48 C ATOM 1002 O ARG A 730 37.859 7.218 -19.094 1.00 45.58 O ATOM 1003 CB ARG A 730 34.830 7.403 -20.364 1.00 45.90 C ATOM 1004 CG ARG A 730 35.792 7.706 -21.490 1.00 48.06 C ATOM 1005 CD ARG A 730 35.062 7.962 -22.793 1.00 49.08 C ATOM 1006 NE ARG A 730 35.997 8.105 -23.901 1.00 54.03 N ATOM 1007 CZ ARG A 730 35.643 8.144 -25.180 1.00 51.77 C ATOM 1008 NH1 ARG A 730 36.572 8.274 -26.115 1.00 55.50 N ATOM 1009 NH2 ARG A 730 34.367 8.041 -25.525 1.00 46.83 N ATOM 1010 HE ARG A 730 37.009 8.182 -23.675 1.00 0.00 H ATOM 1011 HH12 ARG A 730 36.299 8.305 -27.118 1.00 0.00 H ATOM 1012 HH11 ARG A 730 37.574 8.345 -25.846 1.00 0.00 H ATOM 1013 HH22 ARG A 730 34.095 8.072 -26.528 1.00 0.00 H ATOM 1014 HH21 ARG A 730 33.638 7.929 -24.792 1.00 0.00 H ATOM 1015 H ARG A 730 33.580 7.034 -18.154 1.00 0.00 H ATOM 1016 N GLN A 731 36.522 8.653 -17.988 1.00 46.41 N ATOM 1017 CA GLN A 731 37.622 9.493 -17.557 1.00 48.68 C ATOM 1018 C GLN A 731 38.474 8.803 -16.509 1.00 45.41 C ATOM 1019 O GLN A 731 39.693 8.883 -16.549 1.00 50.11 O ATOM 1020 CB GLN A 731 37.107 10.826 -17.010 1.00 48.27 C ATOM 1021 CG GLN A 731 36.471 11.691 -18.074 1.00 62.68 C ATOM 1022 CD GLN A 731 37.291 11.716 -19.352 1.00 73.89 C ATOM 1023 OE1 GLN A 731 38.471 12.086 -19.342 1.00 74.07 O ATOM 1024 NE2 GLN A 731 36.675 11.311 -20.460 1.00 72.72 N ATOM 1025 HE22 GLN A 731 35.681 11.008 -20.421 1.00 0.00 H ATOM 1026 HE21 GLN A 731 37.188 11.297 -21.365 1.00 0.00 H ATOM 1027 H GLN A 731 35.552 8.897 -17.705 1.00 0.00 H ATOM 1028 N ALA A 732 37.825 8.126 -15.572 1.00 46.21 N ATOM 1029 CA ALA A 732 38.568 7.478 -14.509 1.00 46.79 C ATOM 1030 C ALA A 732 39.391 6.346 -15.093 1.00 49.81 C ATOM 1031 O ALA A 732 40.497 6.075 -14.632 1.00 52.29 O ATOM 1032 CB ALA A 732 37.635 6.974 -13.437 1.00 44.91 C ATOM 1033 H ALA A 732 36.787 8.060 -15.599 1.00 0.00 H ATOM 1034 N ARG A 733 38.849 5.703 -16.123 1.00 46.93 N ATOM 1035 CA ARG A 733 39.559 4.620 -16.801 1.00 50.80 C ATOM 1036 C ARG A 733 40.795 5.171 -17.494 1.00 56.59 C ATOM 1037 O ARG A 733 41.842 4.521 -17.536 1.00 68.85 O ATOM 1038 CB ARG A 733 38.651 3.923 -17.812 1.00 53.77 C ATOM 1039 CG ARG A 733 39.202 2.619 -18.348 1.00 58.96 C ATOM 1040 CD ARG A 733 38.290 1.990 -19.386 1.00 57.99 C ATOM 1041 NE ARG A 733 37.173 1.258 -18.792 1.00 55.74 N ATOM 1042 CZ ARG A 733 37.191 -0.043 -18.512 1.00 55.71 C ATOM 1043 NH1 ARG A 733 38.280 -0.767 -18.747 1.00 56.87 N ATOM 1044 NH2 ARG A 733 36.122 -0.623 -17.983 1.00 55.25 N ATOM 1045 HE ARG A 733 36.306 1.789 -18.574 1.00 0.00 H ATOM 1046 HH12 ARG A 733 38.287 -1.783 -18.526 1.00 0.00 H ATOM 1047 HH11 ARG A 733 39.126 -0.318 -19.152 1.00 0.00 H ATOM 1048 HH22 ARG A 733 36.137 -1.640 -17.764 1.00 0.00 H ATOM 1049 HH21 ARG A 733 35.269 -0.061 -17.787 1.00 0.00 H ATOM 1050 H ARG A 733 37.901 5.976 -16.453 1.00 0.00 H ATOM 1051 N ARG A 734 40.667 6.374 -18.044 1.00 49.89 N ATOM 1052 CA ARG A 734 41.794 7.030 -18.703 1.00 58.36 C ATOM 1053 C ARG A 734 42.910 7.278 -17.703 1.00 64.46 C ATOM 1054 O ARG A 734 44.070 6.973 -17.977 1.00 72.82 O ATOM 1055 CB ARG A 734 41.357 8.342 -19.355 1.00 63.07 C ATOM 1056 CG ARG A 734 40.838 8.182 -20.777 1.00 61.01 C ATOM 1057 H ARG A 734 39.747 6.858 -18.005 1.00 0.00 H ATOM 1058 N GLN A 735 42.557 7.824 -16.541 1.00 62.48 N ATOM 1059 CA GLN A 735 43.531 8.028 -15.476 1.00 61.10 C ATOM 1060 C GLN A 735 44.129 6.686 -15.065 1.00 64.62 C ATOM 1061 O GLN A 735 45.312 6.599 -14.741 1.00 72.33 O ATOM 1062 CB GLN A 735 42.900 8.715 -14.262 1.00 63.57 C ATOM 1063 CG GLN A 735 42.362 10.110 -14.516 1.00 77.71 C ATOM 1064 CD GLN A 735 41.730 10.721 -13.274 1.00 85.67 C ATOM 1065 OE1 GLN A 735 42.416 11.003 -12.291 1.00 91.02 O ATOM 1066 NE2 GLN A 735 40.413 10.910 -13.308 1.00 83.26 N ATOM 1067 HE22 GLN A 735 39.873 10.657 -14.160 1.00 0.00 H ATOM 1068 HE21 GLN A 735 39.924 11.311 -12.482 1.00 0.00 H ATOM 1069 H GLN A 735 41.568 8.110 -16.391 1.00 0.00 H ATOM 1070 N ALA A 736 43.308 5.641 -15.097 1.00 64.14 N ATOM 1071 CA ALA A 736 43.762 4.289 -14.767 1.00 68.52 C ATOM 1072 C ALA A 736 44.790 3.782 -15.776 1.00 75.69 C ATOM 1073 O ALA A 736 45.809 3.202 -15.394 1.00 80.18 O ATOM 1074 CB ALA A 736 42.575 3.334 -14.695 1.00 67.07 C ATOM 1075 H ALA A 736 42.314 5.788 -15.364 1.00 0.00 H ATOM 1076 N GLU A 737 44.517 4.000 -17.060 1.00 73.32 N ATOM 1077 CA GLU A 737 45.422 3.575 -18.127 1.00 80.52 C ATOM 1078 C GLU A 737 46.783 4.262 -18.013 1.00 82.75 C ATOM 1079 O GLU A 737 47.812 3.698 -18.402 1.00 88.70 O ATOM 1080 CB GLU A 737 44.798 3.849 -19.500 1.00 78.11 C ATOM 1081 CG GLU A 737 43.701 2.864 -19.881 1.00 78.12 C ATOM 1082 CD GLU A 737 42.921 3.288 -21.114 1.00 81.05 C ATOM 1083 OE1 GLU A 737 43.275 4.323 -21.720 1.00 85.54 O ATOM 1084 OE2 GLU A 737 41.951 2.585 -21.473 1.00 76.69 O ATOM 1085 H GLU A 737 43.633 4.487 -17.312 1.00 0.00 H ATOM 1086 N LYS A 738 46.782 5.473 -17.465 1.00 81.83 N ATOM 1087 CA LYS A 738 48.015 6.207 -17.215 1.00 84.19 C ATOM 1088 C LYS A 738 48.904 5.452 -16.228 1.00 92.45 C ATOM 1089 O LYS A 738 50.129 5.449 -16.354 1.00102.14 O ATOM 1090 CB LYS A 738 47.710 7.612 -16.683 1.00 79.62 C ATOM 1091 CG LYS A 738 48.946 8.488 -16.496 1.00 88.77 C ATOM 1092 CD LYS A 738 48.573 9.883 -16.018 1.00 89.55 C ATOM 1093 H LYS A 738 45.874 5.909 -17.207 1.00 0.00 H ATOM 1094 N MET A 739 48.272 4.806 -15.252 1.00 91.80 N ATOM 1095 CA MET A 739 48.990 4.044 -14.235 1.00 94.26 C ATOM 1096 C MET A 739 49.680 2.821 -14.839 1.00 92.91 C ATOM 1097 O MET A 739 50.660 2.312 -14.292 1.00 95.40 O ATOM 1098 CB MET A 739 48.031 3.608 -13.121 1.00 92.65 C ATOM 1099 CG MET A 739 47.249 4.749 -12.482 1.00 90.20 C ATOM 1100 SD MET A 739 46.252 4.219 -11.071 1.00 95.76 S ATOM 1101 CE MET A 739 45.557 5.782 -10.541 1.00 62.71 C ATOM 1102 H MET A 739 47.233 4.845 -15.212 1.00 0.00 H TER 1103 MET A 739 HETATM 1104 O HOH 1 30.527 6.591 -1.755 1.00 57.48 O HETATM 1105 O HOH 2 23.865 -1.983 -17.667 1.00 63.87 O HETATM 1106 O HOH 3 2.867 6.114 -19.043 1.00 45.12 O HETATM 1107 O HOH 4 25.895 5.384 -0.232 1.00 51.14 O HETATM 1108 O HOH 5 30.817 15.342 -13.879 1.00 64.24 O HETATM 1109 O HOH 6 10.842 7.730 -18.110 1.00 49.76 O HETATM 1110 O HOH 7 38.155 -7.077 -9.261 1.00 38.78 O HETATM 1111 O HOH 8 15.700 7.833 -22.847 1.00 58.93 O HETATM 1112 O HOH 9 16.637 -0.950 -8.939 1.00 35.56 O HETATM 1113 O HOH 10 14.904 5.918 -22.672 1.00 50.84 O HETATM 1114 O HOH 11 37.540 9.574 -10.676 1.00 41.24 O HETATM 1115 O HOH 12 19.460 -2.895 -7.020 1.00 37.47 O HETATM 1116 O HOH 13 50.249 -4.605 -10.319 1.00 57.94 O HETATM 1117 O HOH 14 35.883 10.702 -13.407 1.00 41.90 O HETATM 1118 O HOH 15 8.378 1.529 -10.363 1.00 46.22 O HETATM 1119 O HOH 16 20.157 0.266 -6.476 1.00 34.71 O HETATM 1120 O HOH 17 19.195 1.550 -4.481 1.00 39.62 O HETATM 1121 O HOH 18 18.102 0.008 2.380 1.00 59.18 O HETATM 1122 O HOH 19 23.001 14.440 -12.017 1.00 43.17 O HETATM 1123 O HOH 20 4.137 3.628 -14.181 1.00 54.44 O HETATM 1124 O HOH 21 20.123 -6.247 -13.907 1.00 40.87 O HETATM 1125 O HOH 22 22.620 10.955 -13.074 1.00 45.26 O HETATM 1126 O HOH 23 18.950 10.235 -8.735 1.00 46.67 O HETATM 1127 O HOH 24 29.217 13.001 -16.216 1.00 44.79 O HETATM 1128 O HOH 25 19.342 5.204 -2.004 1.00 55.87 O HETATM 1129 O HOH 26 24.287 -5.056 -15.803 1.00 32.56 O HETATM 1130 O HOH 27 38.562 -3.027 -4.181 1.00 45.57 O HETATM 1131 O HOH 28 49.631 -0.518 -2.438 1.00 55.13 O HETATM 1132 O HOH 29 26.667 -5.685 -14.655 1.00 34.11 O HETATM 1133 O HOH 30 32.493 -6.979 -9.725 1.00 55.71 O HETATM 1134 O HOH 31 13.180 -3.702 4.380 1.00 62.17 O HETATM 1135 O HOH 32 19.380 -2.724 -3.976 1.00 41.21 O HETATM 1136 O HOH 33 17.829 -4.278 -2.276 1.00 51.33 O HETATM 1137 O HOH 34 21.729 -3.506 -3.124 1.00 46.95 O HETATM 1138 O HOH 35 27.344 3.788 -18.659 1.00 41.90 O HETATM 1139 O HOH 36 30.452 13.902 -10.345 1.00 44.63 O HETATM 1140 O HOH 37 25.566 1.444 -17.488 1.00 40.72 O HETATM 1141 O HOH 38 20.479 -8.443 -10.999 1.00 45.13 O HETATM 1142 O HOH 39 19.087 -0.009 -8.903 1.00 48.61 O HETATM 1143 O HOH 40 7.254 0.187 -19.285 1.00 33.84 O HETATM 1144 O HOH 41 8.829 -5.312 -12.541 1.00 52.36 O HETATM 1145 O HOH 42 7.323 0.581 -12.245 1.00 39.86 O HETATM 1146 O HOH 43 20.441 9.832 -11.999 1.00 35.66 O HETATM 1147 O HOH 44 29.119 1.881 -18.221 1.00 52.56 O HETATM 1148 O HOH 45 21.748 0.000 -20.625 1.00 30.47 O HETATM 1149 O HOH 46 17.621 3.216 -1.334 1.00 51.43 O HETATM 1150 O HOH 47 39.825 9.141 -2.815 1.00 46.23 O HETATM 1151 O HOH 48 53.598 -1.816 -10.969 1.00 61.08 O HETATM 1152 O HOH 49 18.552 -9.629 -12.504 1.00 50.53 O HETATM 1153 O HOH 50 8.346 3.043 -25.232 1.00 39.05 O HETATM 1154 O HOH 51 33.591 6.735 -2.147 1.00 52.24 O HETATM 1155 O HOH 52 28.362 -5.170 -17.105 1.00 44.20 O HETATM 1156 O HOH 53 23.771 6.160 -22.350 1.00 43.95 O HETATM 1157 O HOH 54 34.934 3.238 -19.843 1.00 51.56 O HETATM 1158 O HOH 55 39.722 -3.753 -16.568 1.00 47.73 O HETATM 1159 O HOH 56 28.253 -7.637 -3.735 1.00 52.27 O HETATM 1160 O HOH 57 5.752 2.468 -19.089 1.00 38.46 O HETATM 1161 O HOH 58 19.023 6.653 -25.027 1.00 54.48 O HETATM 1162 O HOH 59 40.486 -6.440 -16.447 1.00 52.42 O HETATM 1163 O HOH 60 42.090 -2.046 -15.481 1.00 66.29 O HETATM 1164 O HOH 61 12.641 5.627 -22.927 1.00 49.13 O HETATM 1165 O HOH 62 23.772 -0.184 -18.519 1.00 48.84 O HETATM 1166 O HOH 63 34.905 8.369 -0.301 1.00 54.50 O HETATM 1167 O HOH 64 3.399 1.483 -17.913 1.00 67.51 O HETATM 1168 O HOH 65 37.217 9.775 -1.798 1.00 61.34 O HETATM 1169 O HOH 66 28.311 0.000 -20.625 1.00 63.34 O HETATM 1170 O HOH 67 22.350 -9.952 -12.303 1.00 45.96 O HETATM 1171 O HOH 68 32.445 14.330 -12.202 1.00 46.38 O HETATM 1172 O HOH 69 5.952 3.870 -21.459 1.00 40.21 O HETATM 1173 O HOH 70 32.017 13.855 -16.325 1.00 50.49 O HETATM 1174 O HOH 71 25.906 0.000 -20.625 1.00 55.93 O HETATM 1175 O HOH 72 3.777 5.082 -21.715 1.00 46.68 O HETATM 1176 O HOH 73 4.568 1.576 -12.858 1.00 47.58 O HETATM 1177 O HOH 74 26.247 -8.348 -2.829 1.00 66.99 O HETATM 1178 O HOH 75 6.544 -1.949 -17.853 1.00 36.49 O HETATM 1179 O HOH 76 18.798 -5.616 1.577 1.00 63.56 O HETATM 1180 O HOH 77 19.288 -6.108 -0.716 1.00 47.12 O HETATM 1181 O HOH 78 4.123 -1.528 -16.782 1.00 47.45 O HETATM 1182 O HOH 79 19.395 -8.699 -0.411 1.00 48.64 O HETATM 1183 O UNN A 80 14.699 0.598 -8.452 1.00 -0.38 O HETATM 1184 C UNN A 80 14.687 1.255 -7.413 1.00 0.22 C HETATM 1185 CA UNN A 80 15.798 2.023 -7.048 1.00 0.12 C HETATM 1186 N UNN A 80 15.766 2.495 -5.641 1.00 -0.31 N HETATM 1187 CAL UNN A 80 14.568 2.559 -4.924 1.00 0.07 C HETATM 1188 CAE UNN A 80 14.508 3.242 -3.717 1.00 -0.05 C HETATM 1189 CAJ UNN A 80 13.305 3.291 -3.032 1.00 -0.02 C HETATM 1190 BR1 UNN A 80 13.197 4.210 -1.393 1.00 -0.07 BR HETATM 1191 CAC UNN A 80 12.176 2.664 -3.547 1.00 -0.08 C HETATM 1192 CAD UNN A 80 12.238 1.984 -4.753 1.00 -0.05 C HETATM 1193 CAK UNN A 80 13.437 1.941 -5.442 1.00 0.09 C HETATM 1194 NAH UNN A 80 13.526 1.248 -6.651 1.00 -0.23 N HETATM 1195 H7 UNN A 80 12.733 0.733 -6.977 1.00 0.22 H HETATM 1196 H6 UNN A 80 11.358 1.492 -5.152 1.00 0.05 H HETATM 1197 H5 UNN A 80 11.240 2.707 -3.001 1.00 0.05 H HETATM 1198 H4 UNN A 80 15.389 3.730 -3.317 1.00 0.05 H HETATM 1199 H3 UNN A 80 16.644 2.781 -5.184 1.00 0.17 H HETATM 1200 H1 UNN A 80 15.843 2.902 -7.707 1.00 0.08 H HETATM 1201 H2 UNN A 80 16.702 1.413 -7.188 1.00 0.08 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1183 1184 CONECT 1184 1183 1185 1194 CONECT 1185 1184 1186 1200 1201 CONECT 1186 1185 1187 1199 CONECT 1187 1186 1188 1193 CONECT 1188 1187 1189 1198 CONECT 1189 1188 1190 1191 CONECT 1190 1189 CONECT 1191 1189 1192 1197 CONECT 1192 1191 1193 1196 CONECT 1193 1187 1192 1194 CONECT 1194 1184 1193 1195 CONECT 1195 1194 CONECT 1196 1192 CONECT 1197 1191 CONECT 1198 1188 CONECT 1199 1186 CONECT 1200 1185 CONECT 1201 1185 MASTER 0 0 0 0 0 0 0 0 1200 1 23 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: 5c85
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uye
RCSB PDB
PDBbind
118aa, >4UYE_1|Chains... *
5c7n
RCSB PDB
PDBbind
116aa, >5C7N_1|Chain... at 97%
5c87
RCSB PDB
PDBbind
116aa, >5C87_1|Chain... at 97%
5d7x
RCSB PDB
PDBbind
116aa, >5D7X_1|Chain... at 97%
5dy7
RCSB PDB
PDBbind
116aa, >5DY7_1|Chain... at 97%
5dya
RCSB PDB
PDBbind
116aa, >5DYA_1|Chain... at 97%
5e3d
RCSB PDB
PDBbind
116aa, >5E3D_1|Chain... at 97%
5e3g
RCSB PDB
PDBbind
116aa, >5E3G_1|Chain... at 97%
5em3
RCSB PDB
PDBbind
116aa, >5EM3_1|Chain... at 97%
5epr
RCSB PDB
PDBbind
116aa, >5EPR_1|Chain... at 97%
5eps
RCSB PDB
PDBbind
116aa, >5EPS_1|Chain... at 97%
5eq1
RCSB PDB
PDBbind
116aa, >5EQ1_1|Chain... at 97%
5etb
RCSB PDB
PDBbind
116aa, >5ETB_1|Chain... at 97%
5eva
RCSB PDB
PDBbind
116aa, >5EVA_1|Chain... at 97%
5ewd
RCSB PDB
PDBbind
116aa, >5EWD_1|Chain... at 97%
5ewh
RCSB PDB
PDBbind
116aa, >5EWH_1|Chain... at 97%
5mwg
RCSB PDB
PDBbind
116aa, >5MWG_1|Chains... at 97%
5mwh
RCSB PDB
PDBbind
116aa, >5MWH_1|Chains... at 97%
5mwz
RCSB PDB
PDBbind
116aa, >5MWZ_1|Chain... at 97%
5myg
RCSB PDB
PDBbind
116aa, >5MYG_1|Chains... at 97%
5o4s
RCSB PDB
PDBbind
116aa, >5O4S_1|Chains... at 97%
5o4t
RCSB PDB
PDBbind
116aa, >5O4T_1|Chain... at 97%
5o55
RCSB PDB
PDBbind
116aa, >5O55_1|Chain... at 97%
5o5a
RCSB PDB
PDBbind
116aa, >5O5A_1|Chain... at 97%
5o5f
RCSB PDB
PDBbind
116aa, >5O5F_1|Chain... at 97%
5o5h
RCSB PDB
PDBbind
116aa, >5O5H_1|Chain... at 97%
5ov8
RCSB PDB
PDBbind
116aa, >5OV8_1|Chains... at 97%
5owa
RCSB PDB
PDBbind
116aa, >5OWA_1|Chains... at 97%
5t4u
RCSB PDB
PDBbind
116aa, >5T4U_1|Chain... at 97%
5t4v
RCSB PDB
PDBbind
116aa, >5T4V_1|Chain... at 97%
6ekq
RCSB PDB
PDBbind
116aa, >6EKQ_1|Chains... at 97%
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
5c85
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human BRPF1 bromodomain
Ligand Name
4YO
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=105uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5555-5561
Ligand Properties
Formula
C
8
H
7
BrN
2
O
Molecular Weight
227.058
Exact Mass
225.974
No. of atoms
19
No. of bonds
20
Polar Surface Area
41.13
LOGP Value
1.58 (
Computed with XLOGP3
)
2.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
O=C1CNc2c(N1)ccc(c2)Br
InChI String
InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
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):
P55201
Entrez Gene ID
NCBI Entrez Gene ID:
7862
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