Browse entries in the PDBbind-CN Database
HEADER 5FH6_COMPLEX COMPND 5FH6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 LYS TYR MET THR PRO MET GLN GLN LYS LEU ASN GLU VAL SEQRES 2 A 111 TYR GLU ALA VAL LYS ASN TYR THR ASP LYS ARG GLY ARG SEQRES 3 A 111 ARG LEU SER ALA ILE PHE LEU ARG LEU PRO SER ARG SER SEQRES 4 A 111 GLU LEU PRO ASP TYR TYR LEU THR ILE LYS LYS PRO MET SEQRES 5 A 111 ASP MET GLU LYS ILE ARG SER HIS MET MET ALA ASN LYS SEQRES 6 A 111 TYR GLN ASP ILE ASP SER MET VAL GLU ASP PHE VAL MET SEQRES 7 A 111 MET PHE ASN ASN ALA CYS THR TYR ASN GLU PRO GLU SER SEQRES 8 A 111 LEU ILE TYR LYS ASP ALA LEU VAL LEU HIS LYS VAL LEU SEQRES 9 A 111 LEU GLU THR ARG ARG ASP LEU HET UNN A 115 44 ATOM 1 N LYS A 653 19.421 -2.601 32.975 1.00111.72 N ATOM 2 CA LYS A 653 19.190 -2.369 31.557 1.00116.44 C ATOM 3 C LYS A 653 17.671 -2.282 31.304 1.00115.34 C ATOM 4 O LYS A 653 17.230 -1.898 30.212 1.00110.65 O ATOM 5 CB LYS A 653 19.911 -3.438 30.716 1.00115.09 C ATOM 6 CG LYS A 653 19.221 -3.905 29.452 1.00116.67 C ATOM 7 CD LYS A 653 19.983 -5.043 28.806 1.00123.68 C ATOM 8 CE LYS A 653 19.039 -5.939 28.026 1.00120.98 C ATOM 9 NZ LYS A 653 19.758 -6.859 27.096 1.00122.05 N ATOM 10 HZ1 LYS A 653 20.306 -6.300 26.412 1.00 0.00 H ATOM 11 HZ2 LYS A 653 20.400 -7.469 27.641 1.00 0.00 H ATOM 12 HZ3 LYS A 653 19.066 -7.448 26.589 1.00 0.00 H ATOM 13 HN3 LYS A 653 18.966 -3.492 33.258 1.00 0.00 H ATOM 14 HN2 LYS A 653 19.018 -1.815 33.524 1.00 0.00 H ATOM 15 HN1 LYS A 653 20.444 -2.661 33.153 1.00 0.00 H ATOM 16 N TYR A 654 16.884 -2.583 32.343 1.00104.83 N ATOM 17 CA TYR A 654 15.415 -2.517 32.273 1.00 92.18 C ATOM 18 C TYR A 654 14.779 -1.297 32.800 1.00 94.21 C ATOM 19 O TYR A 654 15.434 -0.437 33.356 1.00106.12 O ATOM 20 CB TYR A 654 14.776 -3.666 33.019 1.00 87.31 C ATOM 21 CG TYR A 654 15.040 -4.917 32.283 1.00 99.96 C ATOM 22 CD1 TYR A 654 16.323 -5.471 32.165 1.00108.65 C ATOM 23 CD2 TYR A 654 14.020 -5.489 31.604 1.00109.08 C ATOM 24 CE1 TYR A 654 16.520 -6.515 31.438 1.00114.06 C ATOM 25 CE2 TYR A 654 14.221 -6.590 30.879 1.00103.33 C ATOM 26 CZ TYR A 654 15.473 -7.128 30.808 1.00105.13 C ATOM 27 OH TYR A 654 15.668 -8.264 30.025 1.00107.21 O ATOM 28 HH TYR A 654 16.619 -8.536 30.071 1.00 0.00 H ATOM 29 H TYR A 654 17.328 -2.876 33.237 1.00 0.00 H ATOM 30 N MET A 655 13.476 -1.241 32.567 1.00 91.47 N ATOM 31 CA MET A 655 12.707 -0.025 32.711 1.00 85.00 C ATOM 32 C MET A 655 11.556 -0.292 33.658 1.00 79.08 C ATOM 33 O MET A 655 10.758 -1.206 33.440 1.00 72.29 O ATOM 34 CB MET A 655 12.204 0.481 31.357 1.00 75.71 C ATOM 35 CG MET A 655 13.084 1.563 30.759 1.00 88.92 C ATOM 36 SD MET A 655 12.619 2.028 29.083 1.00101.42 S ATOM 37 CE MET A 655 13.798 1.066 28.138 1.00103.07 C ATOM 38 H MET A 655 12.986 -2.108 32.268 1.00 0.00 H ATOM 39 N THR A 656 11.485 0.496 34.722 1.00 63.81 N ATOM 40 CA THR A 656 10.422 0.358 35.699 1.00 70.22 C ATOM 41 C THR A 656 9.090 0.714 35.044 1.00 76.94 C ATOM 42 O THR A 656 9.064 1.463 34.065 1.00 67.14 O ATOM 43 CB THR A 656 10.662 1.273 36.920 1.00 85.18 C ATOM 44 OG1 THR A 656 10.383 2.632 36.558 1.00 69.39 O ATOM 45 CG2 THR A 656 12.105 1.167 37.391 1.00 93.20 C ATOM 46 HG1 THR A 656 9.440 2.708 36.267 1.00 0.00 H ATOM 47 H THR A 656 12.209 1.230 34.859 1.00 0.00 H ATOM 48 N PRO A 657 7.981 0.177 35.577 1.00 75.30 N ATOM 49 CA PRO A 657 6.638 0.519 35.093 1.00 58.06 C ATOM 50 C PRO A 657 6.393 2.029 35.079 1.00 59.77 C ATOM 51 O PRO A 657 5.736 2.522 34.159 1.00 65.19 O ATOM 52 CB PRO A 657 5.702 -0.200 36.078 1.00 69.61 C ATOM 53 CG PRO A 657 6.568 -0.683 37.195 1.00 63.47 C ATOM 54 CD PRO A 657 7.932 -0.865 36.616 1.00 62.62 C ATOM 55 N MET A 658 6.882 2.742 36.090 1.00 63.25 N ATOM 56 CA MET A 658 6.795 4.196 36.085 1.00 61.69 C ATOM 57 C MET A 658 7.596 4.762 34.899 1.00 70.88 C ATOM 58 O MET A 658 7.111 5.633 34.194 1.00 50.57 O ATOM 59 CB MET A 658 7.302 4.772 37.410 1.00 76.74 C ATOM 60 CG MET A 658 7.242 6.293 37.503 1.00 67.44 C ATOM 61 SD MET A 658 5.555 6.895 37.239 1.00 79.76 S ATOM 62 CE MET A 658 4.681 6.209 38.634 1.00 86.00 C ATOM 63 H MET A 658 7.331 2.256 36.892 1.00 0.00 H ATOM 64 N GLN A 659 8.797 4.242 34.650 1.00 78.52 N ATOM 65 CA GLN A 659 9.584 4.667 33.484 1.00 71.65 C ATOM 66 C GLN A 659 8.846 4.428 32.161 1.00 76.37 C ATOM 67 O GLN A 659 8.960 5.224 31.226 1.00 67.08 O ATOM 68 CB GLN A 659 10.942 3.960 33.445 1.00 71.60 C ATOM 69 CG GLN A 659 11.951 4.450 34.467 1.00 66.11 C ATOM 70 CD GLN A 659 13.319 3.820 34.277 1.00 73.64 C ATOM 71 OE1 GLN A 659 13.485 2.608 34.425 1.00 94.42 O ATOM 72 NE2 GLN A 659 14.304 4.639 33.925 1.00 55.99 N ATOM 73 HE22 GLN A 659 14.119 5.656 33.811 1.00 0.00 H ATOM 74 HE21 GLN A 659 15.260 4.263 33.763 1.00 0.00 H ATOM 75 H GLN A 659 9.185 3.522 35.293 1.00 0.00 H ATOM 76 N GLN A 660 8.114 3.321 32.076 1.00 83.69 N ATOM 77 CA GLN A 660 7.444 2.943 30.833 1.00 79.60 C ATOM 78 C GLN A 660 6.225 3.820 30.604 1.00 79.13 C ATOM 79 O GLN A 660 5.745 3.965 29.478 1.00 84.56 O ATOM 80 CB GLN A 660 7.003 1.482 30.865 1.00 59.93 C ATOM 81 CG GLN A 660 8.121 0.472 30.902 1.00 64.14 C ATOM 82 CD GLN A 660 7.617 -0.878 31.346 1.00 63.55 C ATOM 83 OE1 GLN A 660 6.629 -0.967 32.075 1.00 61.99 O ATOM 84 NE2 GLN A 660 8.289 -1.937 30.916 1.00 70.59 N ATOM 85 HE22 GLN A 660 9.118 -1.812 30.301 1.00 0.00 H ATOM 86 HE21 GLN A 660 7.987 -2.893 31.194 1.00 0.00 H ATOM 87 H GLN A 660 8.016 2.711 32.912 1.00 0.00 H ATOM 88 N LYS A 661 5.764 4.457 31.673 1.00 69.80 N ATOM 89 CA LYS A 661 4.575 5.284 31.593 1.00 75.68 C ATOM 90 C LYS A 661 4.964 6.738 31.467 1.00 69.08 C ATOM 91 O LYS A 661 4.179 7.567 31.008 1.00 54.51 O ATOM 92 CB LYS A 661 3.723 5.097 32.852 1.00 74.03 C ATOM 93 CG LYS A 661 2.426 5.867 32.826 1.00 69.48 C ATOM 94 CD LYS A 661 1.837 5.997 34.210 1.00 61.12 C ATOM 95 CE LYS A 661 0.411 6.486 34.136 1.00 68.57 C ATOM 96 NZ LYS A 661 0.422 7.967 33.948 1.00 89.97 N ATOM 97 HZ1 LYS A 661 0.908 8.414 34.752 1.00 0.00 H ATOM 98 HZ2 LYS A 661 0.922 8.200 33.066 1.00 0.00 H ATOM 99 HZ3 LYS A 661 -0.556 8.316 33.896 1.00 0.00 H ATOM 100 H LYS A 661 6.262 4.362 32.581 1.00 0.00 H ATOM 101 N LEU A 662 6.203 7.036 31.832 1.00 58.95 N ATOM 102 CA LEU A 662 6.801 8.318 31.496 1.00 58.72 C ATOM 103 C LEU A 662 7.290 8.371 30.064 1.00 68.68 C ATOM 104 O LEU A 662 7.344 9.444 29.465 1.00 61.11 O ATOM 105 CB LEU A 662 7.931 8.681 32.455 1.00 64.14 C ATOM 106 CG LEU A 662 7.490 9.315 33.780 1.00 82.20 C ATOM 107 CD1 LEU A 662 6.613 8.439 34.572 1.00 76.32 C ATOM 108 CD2 LEU A 662 8.692 9.630 34.617 1.00 84.85 C ATOM 109 H LEU A 662 6.758 6.339 32.369 1.00 0.00 H ATOM 110 N ASN A 663 7.664 7.223 29.512 1.00 55.97 N ATOM 111 CA ASN A 663 8.082 7.198 28.122 1.00 50.08 C ATOM 112 C ASN A 663 6.878 7.422 27.231 1.00 54.92 C ATOM 113 O ASN A 663 6.957 8.129 26.228 1.00 50.56 O ATOM 114 CB ASN A 663 8.770 5.886 27.764 1.00 52.19 C ATOM 115 CG ASN A 663 9.336 5.899 26.358 1.00 69.64 C ATOM 116 OD1 ASN A 663 10.049 6.828 25.972 1.00 85.51 O ATOM 117 ND2 ASN A 663 9.001 4.881 25.575 1.00 57.36 N ATOM 118 HD22 ASN A 663 8.397 4.119 25.943 1.00 0.00 H ATOM 119 HD21 ASN A 663 9.343 4.846 24.593 1.00 0.00 H ATOM 120 H ASN A 663 7.658 6.347 30.072 1.00 0.00 H ATOM 121 N GLU A 664 5.755 6.829 27.621 1.00 55.92 N ATOM 122 CA GLU A 664 4.515 6.973 26.875 1.00 64.20 C ATOM 123 C GLU A 664 4.067 8.435 26.836 1.00 67.81 C ATOM 124 O GLU A 664 3.767 8.959 25.764 1.00 65.52 O ATOM 125 CB GLU A 664 3.430 6.074 27.469 1.00 76.47 C ATOM 126 CG GLU A 664 2.123 6.078 26.697 1.00 87.02 C ATOM 127 CD GLU A 664 1.209 4.931 27.086 1.00105.19 C ATOM 128 OE1 GLU A 664 1.711 3.800 27.261 1.00110.26 O ATOM 129 OE2 GLU A 664 -0.010 5.161 27.225 1.00115.42 O ATOM 130 H GLU A 664 5.763 6.246 28.482 1.00 0.00 H ATOM 131 N VAL A 665 4.013 9.093 27.992 1.00 76.43 N ATOM 132 CA VAL A 665 3.645 10.508 28.019 1.00 65.96 C ATOM 133 C VAL A 665 4.680 11.352 27.258 1.00 54.24 C ATOM 134 O VAL A 665 4.318 12.318 26.592 1.00 44.89 O ATOM 135 CB VAL A 665 3.453 11.030 29.477 1.00 85.77 C ATOM 136 CG1 VAL A 665 4.590 10.633 30.361 1.00 89.99 C ATOM 137 CG2 VAL A 665 3.214 12.544 29.508 1.00 56.40 C ATOM 138 H VAL A 665 4.234 8.598 28.880 1.00 0.00 H ATOM 139 N TYR A 666 5.955 10.979 27.333 1.00 59.64 N ATOM 140 CA TYR A 666 6.997 11.669 26.565 1.00 48.19 C ATOM 141 C TYR A 666 6.811 11.520 25.053 1.00 54.86 C ATOM 142 O TYR A 666 6.878 12.499 24.304 1.00 57.22 O ATOM 143 CB TYR A 666 8.390 11.150 26.961 1.00 54.45 C ATOM 144 CG TYR A 666 9.534 11.727 26.142 1.00 59.87 C ATOM 145 CD1 TYR A 666 10.121 12.940 26.483 1.00 64.91 C ATOM 146 CD2 TYR A 666 10.028 11.053 25.026 1.00 71.95 C ATOM 147 CE1 TYR A 666 11.165 13.469 25.733 1.00 73.67 C ATOM 148 CE2 TYR A 666 11.069 11.573 24.271 1.00 73.34 C ATOM 149 CZ TYR A 666 11.634 12.781 24.630 1.00 83.50 C ATOM 150 OH TYR A 666 12.669 13.301 23.884 1.00 65.68 O ATOM 151 HH TYR A 666 12.955 14.164 24.275 1.00 0.00 H ATOM 152 H TYR A 666 6.218 10.183 27.948 1.00 0.00 H ATOM 153 N GLU A 667 6.578 10.287 24.615 1.00 57.62 N ATOM 154 CA GLU A 667 6.547 9.961 23.193 1.00 49.18 C ATOM 155 C GLU A 667 5.331 10.567 22.484 1.00 48.96 C ATOM 156 O GLU A 667 5.404 10.935 21.309 1.00 43.72 O ATOM 157 CB GLU A 667 6.558 8.438 23.019 1.00 54.97 C ATOM 158 CG GLU A 667 7.931 7.813 23.276 1.00 66.89 C ATOM 159 CD GLU A 667 8.943 8.044 22.173 1.00 79.55 C ATOM 160 OE1 GLU A 667 8.540 8.274 21.015 1.00 83.49 O ATOM 161 OE2 GLU A 667 10.155 8.021 22.481 1.00 87.11 O ATOM 162 H GLU A 667 6.412 9.530 25.308 1.00 0.00 H ATOM 163 N ALA A 668 4.215 10.670 23.203 1.00 43.85 N ATOM 164 CA ALA A 668 2.989 11.237 22.641 1.00 51.41 C ATOM 165 C ALA A 668 3.145 12.725 22.343 1.00 74.83 C ATOM 166 O ALA A 668 2.628 13.227 21.342 1.00 79.65 O ATOM 167 CB ALA A 668 1.820 11.010 23.584 1.00 49.42 C ATOM 168 H ALA A 668 4.215 10.339 24.189 1.00 0.00 H ATOM 169 N VAL A 669 3.867 13.422 23.216 1.00 64.81 N ATOM 170 CA VAL A 669 4.148 14.840 23.026 1.00 68.77 C ATOM 171 C VAL A 669 5.071 15.025 21.832 1.00 61.81 C ATOM 172 O VAL A 669 4.842 15.887 20.985 1.00 54.77 O ATOM 173 CB VAL A 669 4.788 15.470 24.279 1.00 63.13 C ATOM 174 CG1 VAL A 669 5.191 16.909 24.006 1.00 60.29 C ATOM 175 CG2 VAL A 669 3.834 15.390 25.460 1.00 67.67 C ATOM 176 H VAL A 669 4.242 12.942 24.059 1.00 0.00 H ATOM 177 N LYS A 670 6.122 14.214 21.780 1.00 63.90 N ATOM 178 CA LYS A 670 7.078 14.270 20.684 1.00 67.79 C ATOM 179 C LYS A 670 6.411 13.974 19.345 1.00 65.57 C ATOM 180 O LYS A 670 6.668 14.644 18.348 1.00 57.40 O ATOM 181 CB LYS A 670 8.222 13.280 20.914 1.00 52.63 C ATOM 182 CG LYS A 670 9.172 13.162 19.731 1.00 59.05 C ATOM 183 CD LYS A 670 10.446 12.430 20.103 1.00 65.65 C ATOM 184 CE LYS A 670 10.597 11.161 19.275 1.00 79.04 C ATOM 185 NZ LYS A 670 9.397 10.284 19.384 1.00 85.56 N ATOM 186 HZ1 LYS A 670 9.257 10.012 20.378 1.00 0.00 H ATOM 187 HZ2 LYS A 670 8.560 10.799 19.044 1.00 0.00 H ATOM 188 HZ3 LYS A 670 9.539 9.431 18.806 1.00 0.00 H ATOM 189 H LYS A 670 6.265 13.521 22.542 1.00 0.00 H ATOM 190 N ASN A 671 5.547 12.968 19.326 1.00 74.31 N ATOM 191 CA ASN A 671 4.973 12.502 18.070 1.00 76.32 C ATOM 192 C ASN A 671 3.674 13.187 17.650 1.00 73.18 C ATOM 193 O ASN A 671 3.085 12.814 16.635 1.00 50.76 O ATOM 194 CB ASN A 671 4.750 10.991 18.142 1.00 58.33 C ATOM 195 CG ASN A 671 6.040 10.225 18.351 1.00 69.31 C ATOM 196 OD1 ASN A 671 7.124 10.717 18.036 1.00 69.32 O ATOM 197 ND2 ASN A 671 5.932 9.018 18.892 1.00 84.36 N ATOM 198 HD22 ASN A 671 4.995 8.642 19.142 1.00 0.00 H ATOM 199 HD21 ASN A 671 6.784 8.448 19.066 1.00 0.00 H ATOM 200 H ASN A 671 5.276 12.506 20.218 1.00 0.00 H ATOM 201 N TYR A 672 3.220 14.175 18.417 1.00 77.62 N ATOM 202 CA TYR A 672 1.991 14.872 18.049 1.00 67.76 C ATOM 203 C TYR A 672 2.192 15.577 16.713 1.00 67.22 C ATOM 204 O TYR A 672 3.217 16.221 16.489 1.00 58.33 O ATOM 205 CB TYR A 672 1.556 15.883 19.112 1.00 56.29 C ATOM 206 CG TYR A 672 0.273 16.601 18.736 1.00 68.62 C ATOM 207 CD1 TYR A 672 -0.964 16.020 18.995 1.00 67.38 C ATOM 208 CD2 TYR A 672 0.293 17.839 18.100 1.00 62.66 C ATOM 209 CE1 TYR A 672 -2.144 16.657 18.649 1.00 67.10 C ATOM 210 CE2 TYR A 672 -0.886 18.483 17.746 1.00 55.90 C ATOM 211 CZ TYR A 672 -2.099 17.886 18.025 1.00 60.22 C ATOM 212 OH TYR A 672 -3.275 18.515 17.682 1.00 62.50 O ATOM 213 HH TYR A 672 -4.041 17.950 17.954 1.00 0.00 H ATOM 214 H TYR A 672 3.739 14.450 19.276 1.00 0.00 H ATOM 215 N THR A 673 1.211 15.446 15.828 1.00 71.28 N ATOM 216 CA THR A 673 1.261 16.102 14.529 1.00 62.25 C ATOM 217 C THR A 673 0.008 16.930 14.314 1.00 64.74 C ATOM 218 O THR A 673 -1.074 16.567 14.782 1.00 67.24 O ATOM 219 CB THR A 673 1.401 15.096 13.369 1.00 52.46 C ATOM 220 OG1 THR A 673 0.250 14.244 13.333 1.00 65.95 O ATOM 221 CG2 THR A 673 2.656 14.249 13.534 1.00 36.79 C ATOM 222 HG1 THR A 673 -0.562 14.794 13.197 1.00 0.00 H ATOM 223 H THR A 673 0.386 14.860 16.069 1.00 0.00 H ATOM 224 N ASP A 674 0.150 18.044 13.603 1.00 62.49 N ATOM 225 CA ASP A 674 -1.015 18.851 13.285 1.00 75.29 C ATOM 226 C ASP A 674 -1.727 18.309 12.061 1.00 79.21 C ATOM 227 O ASP A 674 -1.316 17.306 11.471 1.00 74.71 O ATOM 228 CB ASP A 674 -0.641 20.324 13.081 1.00 75.94 C ATOM 229 CG ASP A 674 0.348 20.543 11.945 1.00 83.46 C ATOM 230 OD1 ASP A 674 0.606 19.614 11.150 1.00 79.08 O ATOM 231 OD2 ASP A 674 0.867 21.673 11.845 1.00 80.35 O ATOM 232 H ASP A 674 1.093 18.337 13.275 1.00 0.00 H ATOM 233 N LYS A 675 -2.783 19.004 11.670 1.00 88.12 N ATOM 234 CA LYS A 675 -3.622 18.554 10.573 1.00 99.39 C ATOM 235 C LYS A 675 -2.935 18.179 9.245 1.00 97.14 C ATOM 236 O LYS A 675 -3.487 17.362 8.518 1.00 97.88 O ATOM 237 CB LYS A 675 -4.728 19.594 10.378 1.00104.26 C ATOM 238 CG LYS A 675 -4.282 21.003 10.644 1.00109.53 C ATOM 239 CD LYS A 675 -5.289 22.011 10.163 1.00112.83 C ATOM 240 CE LYS A 675 -4.633 23.362 10.110 1.00113.83 C ATOM 241 NZ LYS A 675 -3.352 23.257 9.368 1.00114.76 N ATOM 242 HZ1 LYS A 675 -2.725 22.584 9.854 1.00 0.00 H ATOM 243 HZ2 LYS A 675 -3.539 22.922 8.401 1.00 0.00 H ATOM 244 HZ3 LYS A 675 -2.897 24.191 9.331 1.00 0.00 H ATOM 245 H LYS A 675 -3.017 19.892 12.159 1.00 0.00 H ATOM 246 N ARG A 676 -1.781 18.729 8.882 1.00 94.78 N ATOM 247 CA ARG A 676 -1.088 18.147 7.718 1.00 91.76 C ATOM 248 C ARG A 676 0.340 17.703 8.059 1.00 88.80 C ATOM 249 O ARG A 676 1.335 18.093 7.442 1.00 81.19 O ATOM 250 CB ARG A 676 -1.248 19.042 6.490 1.00109.11 C ATOM 251 CG ARG A 676 -2.708 18.830 6.067 1.00113.40 C ATOM 252 CD ARG A 676 -3.419 20.013 5.481 1.00115.06 C ATOM 253 NE ARG A 676 -4.870 19.861 5.639 1.00112.87 N ATOM 254 CZ ARG A 676 -5.680 19.319 4.737 1.00120.04 C ATOM 255 NH1 ARG A 676 -5.187 18.881 3.588 1.00124.40 N ATOM 256 NH2 ARG A 676 -6.983 19.225 4.978 1.00123.41 N ATOM 257 HE ARG A 676 -5.296 20.203 6.524 1.00 0.00 H ATOM 258 HH12 ARG A 676 -5.819 18.456 2.879 1.00 0.00 H ATOM 259 HH11 ARG A 676 -4.168 18.962 3.395 1.00 0.00 H ATOM 260 HH22 ARG A 676 -7.614 18.800 4.269 1.00 0.00 H ATOM 261 HH21 ARG A 676 -7.372 19.577 5.876 1.00 0.00 H ATOM 262 H ARG A 676 -1.382 19.539 9.399 1.00 0.00 H ATOM 263 N GLY A 677 0.369 16.853 9.085 1.00 91.95 N ATOM 264 CA GLY A 677 1.519 16.070 9.501 1.00 79.01 C ATOM 265 C GLY A 677 2.830 16.683 9.955 1.00 68.84 C ATOM 266 O GLY A 677 3.879 16.043 9.861 1.00 67.57 O ATOM 267 H GLY A 677 -0.507 16.741 9.635 1.00 0.00 H ATOM 268 N ARG A 678 2.802 17.919 10.432 1.00 63.44 N ATOM 269 CA ARG A 678 4.009 18.484 11.015 1.00 63.84 C ATOM 270 C ARG A 678 4.101 18.134 12.497 1.00 49.59 C ATOM 271 O ARG A 678 3.103 18.191 13.217 1.00 41.43 O ATOM 272 CB ARG A 678 4.067 19.996 10.895 1.00 62.07 C ATOM 273 CG ARG A 678 5.281 20.531 11.635 1.00 73.14 C ATOM 274 CD ARG A 678 5.285 22.002 11.656 1.00 83.42 C ATOM 275 NE ARG A 678 4.160 22.416 12.477 1.00 94.33 N ATOM 276 CZ ARG A 678 4.213 22.665 13.781 1.00106.23 C ATOM 277 NH1 ARG A 678 5.357 22.562 14.441 1.00115.01 N ATOM 278 NH2 ARG A 678 3.114 23.045 14.415 1.00105.66 N ATOM 279 HE ARG A 678 3.239 22.526 12.006 1.00 0.00 H ATOM 280 HH12 ARG A 678 5.388 22.759 15.462 1.00 0.00 H ATOM 281 HH11 ARG A 678 6.224 22.284 13.938 1.00 0.00 H ATOM 282 HH22 ARG A 678 3.144 23.242 15.436 1.00 0.00 H ATOM 283 HH21 ARG A 678 2.221 23.146 13.892 1.00 0.00 H ATOM 284 H ARG A 678 1.927 18.479 10.390 1.00 0.00 H ATOM 285 N ARG A 679 5.313 17.812 12.941 1.00 48.92 N ATOM 286 CA ARG A 679 5.607 17.482 14.330 1.00 57.11 C ATOM 287 C ARG A 679 6.021 18.703 15.131 1.00 49.46 C ATOM 288 O ARG A 679 7.143 19.192 14.991 1.00 48.06 O ATOM 289 CB ARG A 679 6.720 16.441 14.405 1.00 59.86 C ATOM 290 CG ARG A 679 6.231 15.058 14.669 1.00 79.76 C ATOM 291 CD ARG A 679 7.375 14.074 14.809 1.00 96.18 C ATOM 292 NE ARG A 679 7.301 13.125 13.709 1.00100.46 N ATOM 293 CZ ARG A 679 6.348 12.207 13.600 1.00107.28 C ATOM 294 NH1 ARG A 679 5.417 12.093 14.541 1.00101.56 N ATOM 295 NH2 ARG A 679 6.332 11.387 12.561 1.00111.99 N ATOM 296 HE ARG A 679 8.032 13.168 12.970 1.00 0.00 H ATOM 297 HH12 ARG A 679 4.672 11.372 14.451 1.00 0.00 H ATOM 298 HH11 ARG A 679 5.433 12.724 15.367 1.00 0.00 H ATOM 299 HH22 ARG A 679 5.585 10.668 12.477 1.00 0.00 H ATOM 300 HH21 ARG A 679 7.067 11.461 11.829 1.00 0.00 H ATOM 301 H ARG A 679 6.096 17.795 12.257 1.00 0.00 H ATOM 302 N LEU A 680 5.110 19.189 15.970 1.00 45.34 N ATOM 303 CA LEU A 680 5.339 20.404 16.753 1.00 63.39 C ATOM 304 C LEU A 680 6.583 20.281 17.629 1.00 70.44 C ATOM 305 O LEU A 680 7.210 21.279 17.982 1.00 73.89 O ATOM 306 CB LEU A 680 4.134 20.731 17.643 1.00 51.72 C ATOM 307 CG LEU A 680 2.862 21.347 17.048 1.00 54.72 C ATOM 308 CD1 LEU A 680 2.198 20.428 16.018 1.00 79.19 C ATOM 309 CD2 LEU A 680 1.881 21.763 18.126 1.00 37.68 C ATOM 310 H LEU A 680 4.204 18.688 16.073 1.00 0.00 H ATOM 311 N SER A 681 6.922 19.044 17.972 1.00 72.81 N ATOM 312 CA SER A 681 8.071 18.722 18.814 1.00 69.92 C ATOM 313 C SER A 681 9.420 19.248 18.330 1.00 55.35 C ATOM 314 O SER A 681 10.311 19.495 19.144 1.00 44.99 O ATOM 315 CB SER A 681 8.165 17.204 18.968 1.00 70.15 C ATOM 316 OG SER A 681 9.505 16.784 19.152 1.00 67.33 O ATOM 317 HG SER A 681 9.873 17.206 19.969 1.00 0.00 H ATOM 318 H SER A 681 6.336 18.260 17.621 1.00 0.00 H ATOM 319 N ALA A 682 9.567 19.399 17.016 1.00 46.29 N ATOM 320 CA ALA A 682 10.873 19.590 16.382 1.00 39.53 C ATOM 321 C ALA A 682 11.726 20.706 16.987 1.00 53.56 C ATOM 322 O ALA A 682 12.893 20.487 17.315 1.00 63.05 O ATOM 323 CB ALA A 682 10.682 19.845 14.891 1.00 32.12 C ATOM 324 H ALA A 682 8.719 19.381 16.414 1.00 0.00 H ATOM 325 N ILE A 683 11.149 21.894 17.146 1.00 48.63 N ATOM 326 CA ILE A 683 11.923 23.032 17.632 1.00 48.87 C ATOM 327 C ILE A 683 12.307 22.847 19.103 1.00 56.15 C ATOM 328 O ILE A 683 13.294 23.412 19.572 1.00 62.97 O ATOM 329 CB ILE A 683 11.142 24.363 17.454 1.00 57.05 C ATOM 330 CG1 ILE A 683 12.073 25.574 17.590 1.00 45.96 C ATOM 331 CG2 ILE A 683 9.975 24.453 18.432 1.00 67.50 C ATOM 332 CD1 ILE A 683 13.161 25.644 16.536 1.00 36.48 C ATOM 333 H ILE A 683 10.140 22.013 16.923 1.00 0.00 H ATOM 334 N PHE A 684 11.539 22.029 19.816 1.00 42.18 N ATOM 335 CA PHE A 684 11.737 21.842 21.249 1.00 42.79 C ATOM 336 C PHE A 684 12.673 20.705 21.617 1.00 51.59 C ATOM 337 O PHE A 684 12.952 20.503 22.800 1.00 60.96 O ATOM 338 CB PHE A 684 10.398 21.588 21.943 1.00 31.89 C ATOM 339 CG PHE A 684 9.439 22.731 21.844 1.00 49.45 C ATOM 340 CD1 PHE A 684 9.704 23.931 22.481 1.00 39.37 C ATOM 341 CD2 PHE A 684 8.260 22.600 21.131 1.00 63.17 C ATOM 342 CE1 PHE A 684 8.818 24.987 22.395 1.00 54.97 C ATOM 343 CE2 PHE A 684 7.367 23.651 21.043 1.00 66.15 C ATOM 344 CZ PHE A 684 7.647 24.847 21.676 1.00 53.56 C ATOM 345 H PHE A 684 10.776 21.508 19.339 1.00 0.00 H ATOM 346 N LEU A 685 13.156 19.960 20.628 1.00 57.57 N ATOM 347 CA LEU A 685 13.905 18.754 20.949 1.00 56.93 C ATOM 348 C LEU A 685 15.159 19.095 21.706 1.00 58.44 C ATOM 349 O LEU A 685 15.420 18.561 22.790 1.00 60.26 O ATOM 350 CB LEU A 685 14.280 17.977 19.684 1.00 42.20 C ATOM 351 CG LEU A 685 13.118 17.200 19.069 1.00 48.14 C ATOM 352 CD1 LEU A 685 13.513 16.508 17.764 1.00 38.22 C ATOM 353 CD2 LEU A 685 12.547 16.214 20.072 1.00 41.79 C ATOM 354 H LEU A 685 13.001 20.235 19.637 1.00 0.00 H ATOM 355 N ARG A 686 15.945 19.996 21.134 1.00 56.77 N ATOM 356 CA ARG A 686 17.176 20.396 21.818 1.00 63.88 C ATOM 357 C ARG A 686 17.601 21.814 21.581 1.00 56.35 C ATOM 358 O ARG A 686 17.660 22.244 20.447 1.00 46.69 O ATOM 359 CB ARG A 686 18.352 19.445 21.433 1.00 67.94 C ATOM 360 CG ARG A 686 19.809 19.613 22.234 1.00 86.14 C ATOM 361 CD ARG A 686 20.924 18.585 21.889 1.00104.48 C ATOM 362 NE ARG A 686 21.721 18.343 23.093 1.00114.07 N ATOM 363 CZ ARG A 686 22.742 17.510 23.207 1.00120.92 C ATOM 364 NH1 ARG A 686 23.393 16.619 22.305 1.00121.32 N ATOM 365 NH2 ARG A 686 23.222 17.536 24.397 1.00122.53 N ATOM 366 HE ARG A 686 21.458 18.880 23.944 1.00 0.00 H ATOM 367 HH12 ARG A 686 24.199 16.048 22.629 1.00 0.00 H ATOM 368 HH11 ARG A 686 23.062 16.540 21.322 1.00 0.00 H ATOM 369 HH22 ARG A 686 24.032 16.933 24.644 1.00 0.00 H ATOM 370 HH21 ARG A 686 22.801 18.160 25.114 1.00 0.00 H ATOM 371 H ARG A 686 15.692 20.412 20.215 1.00 0.00 H ATOM 372 N LEU A 687 18.025 22.500 22.634 1.00 69.99 N ATOM 373 CA LEU A 687 18.523 23.863 22.478 1.00 61.60 C ATOM 374 C LEU A 687 19.945 23.943 21.926 1.00 59.90 C ATOM 375 O LEU A 687 20.796 23.106 22.239 1.00 56.07 O ATOM 376 CB LEU A 687 18.487 24.607 23.818 1.00 59.99 C ATOM 377 CG LEU A 687 17.226 25.340 24.268 1.00 53.02 C ATOM 378 CD1 LEU A 687 17.335 25.673 25.744 1.00 65.69 C ATOM 379 CD2 LEU A 687 17.054 26.617 23.465 1.00 44.88 C ATOM 380 H LEU A 687 18.002 22.063 23.578 1.00 0.00 H ATOM 381 N PRO A 688 20.197 24.960 21.086 1.00 47.78 N ATOM 382 CA PRO A 688 21.541 25.314 20.627 1.00 44.41 C ATOM 383 C PRO A 688 22.402 25.649 21.838 1.00 61.74 C ATOM 384 O PRO A 688 21.861 26.026 22.880 1.00 56.19 O ATOM 385 CB PRO A 688 21.310 26.537 19.731 1.00 46.04 C ATOM 386 CG PRO A 688 19.973 27.066 20.138 1.00 45.04 C ATOM 387 CD PRO A 688 19.175 25.853 20.514 1.00 37.81 C ATOM 388 N SER A 689 23.713 25.494 21.719 1.00 53.00 N ATOM 389 CA SER A 689 24.589 25.657 22.868 1.00 47.45 C ATOM 390 C SER A 689 24.639 27.101 23.338 1.00 75.07 C ATOM 391 O SER A 689 24.105 28.002 22.688 1.00 55.46 O ATOM 392 CB SER A 689 26.005 25.192 22.527 1.00 49.83 C ATOM 393 OG SER A 689 26.677 26.174 21.755 1.00 66.32 O ATOM 394 HG SER A 689 27.591 25.857 21.543 1.00 0.00 H ATOM 395 H SER A 689 24.120 25.253 20.793 1.00 0.00 H ATOM 396 N ARG A 690 25.285 27.301 24.481 1.00 73.77 N ATOM 397 CA ARG A 690 25.369 28.602 25.122 1.00 78.09 C ATOM 398 C ARG A 690 26.131 29.532 24.186 1.00 77.94 C ATOM 399 O ARG A 690 25.854 30.729 24.106 1.00 70.84 O ATOM 400 CB ARG A 690 26.055 28.480 26.482 1.00 76.01 C ATOM 401 CG ARG A 690 26.430 29.793 27.121 1.00 70.03 C ATOM 402 CD ARG A 690 26.892 29.590 28.551 1.00 73.29 C ATOM 403 NE ARG A 690 25.781 29.231 29.424 1.00 69.63 N ATOM 404 CZ ARG A 690 24.961 30.116 29.978 1.00 63.22 C ATOM 405 NH1 ARG A 690 25.128 31.412 29.747 1.00 61.73 N ATOM 406 NH2 ARG A 690 23.971 29.706 30.759 1.00 61.93 N ATOM 407 HE ARG A 690 25.622 28.223 29.624 1.00 0.00 H ATOM 408 HH12 ARG A 690 24.485 32.105 30.181 1.00 0.00 H ATOM 409 HH11 ARG A 690 25.902 31.735 29.132 1.00 0.00 H ATOM 410 HH22 ARG A 690 23.329 30.400 31.193 1.00 0.00 H ATOM 411 HH21 ARG A 690 23.836 28.690 30.938 1.00 0.00 H ATOM 412 H ARG A 690 25.751 26.491 24.937 1.00 0.00 H ATOM 413 N SER A 691 27.083 28.947 23.467 1.00 79.97 N ATOM 414 CA SER A 691 27.895 29.659 22.490 1.00 82.62 C ATOM 415 C SER A 691 27.106 30.062 21.251 1.00 76.58 C ATOM 416 O SER A 691 27.524 30.951 20.510 1.00 80.21 O ATOM 417 CB SER A 691 29.081 28.795 22.058 1.00 86.85 C ATOM 418 OG SER A 691 29.962 29.528 21.225 1.00100.30 O ATOM 419 HG SER A 691 29.476 29.830 20.417 1.00 0.00 H ATOM 420 H SER A 691 27.257 27.931 23.609 1.00 0.00 H ATOM 421 N GLU A 692 25.972 29.408 21.020 1.00 73.30 N ATOM 422 CA GLU A 692 25.202 29.664 19.809 1.00 69.48 C ATOM 423 C GLU A 692 23.938 30.476 20.044 1.00 72.08 C ATOM 424 O GLU A 692 23.250 30.842 19.090 1.00 76.89 O ATOM 425 CB GLU A 692 24.795 28.341 19.162 1.00 51.15 C ATOM 426 CG GLU A 692 25.925 27.417 18.768 1.00 54.13 C ATOM 427 CD GLU A 692 25.403 26.049 18.372 1.00 70.29 C ATOM 428 OE1 GLU A 692 24.433 25.582 19.007 1.00 71.18 O ATOM 429 OE2 GLU A 692 25.948 25.446 17.424 1.00 78.40 O ATOM 430 H GLU A 692 25.631 28.708 21.709 1.00 0.00 H ATOM 431 N LEU A 693 23.653 30.788 21.303 1.00 53.52 N ATOM 432 CA LEU A 693 22.486 31.594 21.641 1.00 46.53 C ATOM 433 C LEU A 693 22.551 32.068 23.093 1.00 75.38 C ATOM 434 O LEU A 693 21.732 31.656 23.921 1.00 46.83 O ATOM 435 CB LEU A 693 21.206 30.790 21.402 1.00 43.82 C ATOM 436 CG LEU A 693 19.940 31.557 21.029 1.00 61.43 C ATOM 437 CD1 LEU A 693 20.102 32.195 19.657 1.00 54.92 C ATOM 438 CD2 LEU A 693 18.741 30.621 21.045 1.00 41.70 C ATOM 439 H LEU A 693 24.276 30.450 22.064 1.00 0.00 H ATOM 440 N PRO A 694 23.537 32.922 23.413 1.00 70.65 N ATOM 441 CA PRO A 694 23.732 33.364 24.797 1.00 74.31 C ATOM 442 C PRO A 694 22.537 34.145 25.327 1.00 72.88 C ATOM 443 O PRO A 694 22.233 34.059 26.517 1.00 64.70 O ATOM 444 CB PRO A 694 24.970 34.267 24.710 1.00 78.29 C ATOM 445 CG PRO A 694 25.627 33.907 23.409 1.00 65.66 C ATOM 446 CD PRO A 694 24.494 33.567 22.499 1.00 67.29 C ATOM 447 N ASP A 695 21.871 34.882 24.441 1.00 68.42 N ATOM 448 CA ASP A 695 20.707 35.683 24.807 1.00 67.51 C ATOM 449 C ASP A 695 19.630 34.838 25.474 1.00 69.20 C ATOM 450 O ASP A 695 18.965 35.297 26.404 1.00 64.77 O ATOM 451 CB ASP A 695 20.137 36.396 23.578 1.00 80.62 C ATOM 452 CG ASP A 695 18.930 37.256 23.910 1.00 91.89 C ATOM 453 OD1 ASP A 695 19.094 38.260 24.636 1.00104.07 O ATOM 454 OD2 ASP A 695 17.823 36.942 23.429 1.00 78.32 O ATOM 455 H ASP A 695 22.192 34.887 23.452 1.00 0.00 H ATOM 456 N TYR A 696 19.446 33.612 24.990 1.00 61.64 N ATOM 457 CA TYR A 696 18.427 32.737 25.556 1.00 56.70 C ATOM 458 C TYR A 696 18.776 32.402 27.006 1.00 49.85 C ATOM 459 O TYR A 696 17.903 32.390 27.872 1.00 47.71 O ATOM 460 CB TYR A 696 18.271 31.451 24.743 1.00 57.82 C ATOM 461 CG TYR A 696 17.064 30.643 25.166 1.00 52.85 C ATOM 462 CD1 TYR A 696 15.806 30.942 24.662 1.00 44.78 C ATOM 463 CD2 TYR A 696 17.173 29.600 26.081 1.00 44.10 C ATOM 464 CE1 TYR A 696 14.693 30.228 25.044 1.00 50.41 C ATOM 465 CE2 TYR A 696 16.057 28.875 26.470 1.00 43.02 C ATOM 466 CZ TYR A 696 14.821 29.194 25.944 1.00 43.03 C ATOM 467 OH TYR A 696 13.700 28.487 26.317 1.00 41.86 O ATOM 468 HH TYR A 696 12.910 28.851 25.845 1.00 0.00 H ATOM 469 H TYR A 696 20.034 33.275 24.201 1.00 0.00 H ATOM 470 N TYR A 697 20.055 32.136 27.262 1.00 47.68 N ATOM 471 CA TYR A 697 20.501 31.710 28.588 1.00 61.46 C ATOM 472 C TYR A 697 20.680 32.891 29.540 1.00 61.01 C ATOM 473 O TYR A 697 20.824 32.711 30.753 1.00 53.39 O ATOM 474 CB TYR A 697 21.824 30.939 28.496 1.00 62.94 C ATOM 475 CG TYR A 697 21.766 29.609 27.772 1.00 65.13 C ATOM 476 CD1 TYR A 697 21.848 29.539 26.386 1.00 52.89 C ATOM 477 CD2 TYR A 697 21.667 28.419 28.482 1.00 60.06 C ATOM 478 CE1 TYR A 697 21.810 28.321 25.728 1.00 68.14 C ATOM 479 CE2 TYR A 697 21.627 27.199 27.836 1.00 52.59 C ATOM 480 CZ TYR A 697 21.699 27.154 26.458 1.00 75.48 C ATOM 481 OH TYR A 697 21.660 25.940 25.811 1.00 79.07 O ATOM 482 HH TYR A 697 21.722 26.086 24.834 1.00 0.00 H ATOM 483 H TYR A 697 20.755 32.234 26.499 1.00 0.00 H ATOM 484 N LEU A 698 20.686 34.097 28.987 1.00 55.90 N ATOM 485 CA LEU A 698 20.811 35.298 29.801 1.00 54.51 C ATOM 486 C LEU A 698 19.456 35.957 30.059 1.00 58.96 C ATOM 487 O LEU A 698 19.352 36.890 30.857 1.00 76.93 O ATOM 488 CB LEU A 698 21.768 36.288 29.130 1.00 62.27 C ATOM 489 CG LEU A 698 23.213 35.805 28.962 1.00 57.87 C ATOM 490 CD1 LEU A 698 24.054 36.830 28.209 1.00 63.32 C ATOM 491 CD2 LEU A 698 23.835 35.486 30.310 1.00 60.28 C ATOM 492 H LEU A 698 20.600 34.186 27.954 1.00 0.00 H ATOM 493 N THR A 699 18.423 35.461 29.384 1.00 51.04 N ATOM 494 CA THR A 699 17.076 36.017 29.498 1.00 58.66 C ATOM 495 C THR A 699 16.111 35.016 30.132 1.00 53.07 C ATOM 496 O THR A 699 15.097 35.390 30.720 1.00 69.81 O ATOM 497 CB THR A 699 16.545 36.453 28.108 1.00 63.36 C ATOM 498 OG1 THR A 699 17.443 37.410 27.532 1.00 79.38 O ATOM 499 CG2 THR A 699 15.151 37.062 28.206 1.00 57.34 C ATOM 500 HG1 THR A 699 18.339 37.001 27.430 1.00 0.00 H ATOM 501 H THR A 699 18.579 34.649 28.753 1.00 0.00 H ATOM 502 N ILE A 700 16.467 33.740 30.049 1.00 53.25 N ATOM 503 CA ILE A 700 15.660 32.662 30.607 1.00 54.63 C ATOM 504 C ILE A 700 16.450 32.033 31.742 1.00 48.74 C ATOM 505 O ILE A 700 17.589 31.604 31.555 1.00 62.01 O ATOM 506 CB ILE A 700 15.306 31.591 29.544 1.00 61.83 C ATOM 507 CG1 ILE A 700 14.443 32.186 28.426 1.00 43.13 C ATOM 508 CG2 ILE A 700 14.593 30.418 30.184 1.00 43.90 C ATOM 509 CD1 ILE A 700 13.073 32.640 28.884 1.00 49.37 C ATOM 510 H ILE A 700 17.357 33.500 29.567 1.00 0.00 H ATOM 511 N LYS A 701 15.852 31.993 32.927 1.00 54.85 N ATOM 512 CA LYS A 701 16.599 31.617 34.119 1.00 64.72 C ATOM 513 C LYS A 701 17.074 30.166 34.091 1.00 73.07 C ATOM 514 O LYS A 701 18.262 29.895 34.260 1.00 81.03 O ATOM 515 CB LYS A 701 15.731 31.846 35.364 1.00 55.50 C ATOM 516 CG LYS A 701 16.221 32.948 36.291 1.00 82.71 C ATOM 517 CD LYS A 701 15.377 33.032 37.563 1.00 96.59 C ATOM 518 CE LYS A 701 14.239 34.036 37.423 1.00100.02 C ATOM 519 NZ LYS A 701 13.438 34.150 38.675 1.00102.40 N ATOM 520 HZ1 LYS A 701 13.028 33.223 38.908 1.00 0.00 H ATOM 521 HZ2 LYS A 701 14.054 34.463 39.452 1.00 0.00 H ATOM 522 HZ3 LYS A 701 12.675 34.843 38.535 1.00 0.00 H ATOM 523 H LYS A 701 14.843 32.232 33.004 1.00 0.00 H ATOM 524 N LYS A 702 16.142 29.244 33.869 1.00 56.45 N ATOM 525 CA LYS A 702 16.446 27.818 33.889 1.00 67.12 C ATOM 526 C LYS A 702 16.068 27.146 32.557 1.00 81.43 C ATOM 527 O LYS A 702 14.946 26.674 32.400 1.00 84.99 O ATOM 528 CB LYS A 702 15.725 27.166 35.068 1.00 84.22 C ATOM 529 CG LYS A 702 16.272 25.816 35.483 1.00103.17 C ATOM 530 CD LYS A 702 15.847 25.527 36.916 1.00112.35 C ATOM 531 CE LYS A 702 16.648 24.408 37.540 1.00116.54 C ATOM 532 NZ LYS A 702 18.103 24.677 37.426 1.00112.07 N ATOM 533 HZ1 LYS A 702 18.362 24.757 36.422 1.00 0.00 H ATOM 534 HZ2 LYS A 702 18.329 25.566 37.915 1.00 0.00 H ATOM 535 HZ3 LYS A 702 18.634 23.896 37.861 1.00 0.00 H ATOM 536 H LYS A 702 15.167 29.549 33.675 1.00 0.00 H ATOM 537 N PRO A 703 16.998 27.111 31.588 1.00 86.54 N ATOM 538 CA PRO A 703 16.713 26.577 30.244 1.00 82.11 C ATOM 539 C PRO A 703 16.413 25.071 30.217 1.00 86.84 C ATOM 540 O PRO A 703 17.095 24.278 30.866 1.00 87.30 O ATOM 541 CB PRO A 703 18.004 26.877 29.467 1.00 77.42 C ATOM 542 CG PRO A 703 18.676 27.970 30.242 1.00 86.34 C ATOM 543 CD PRO A 703 18.359 27.661 31.675 1.00 91.51 C ATOM 544 N MET A 704 15.391 24.695 29.449 1.00 76.30 N ATOM 545 CA MET A 704 14.945 23.306 29.363 1.00 70.17 C ATOM 546 C MET A 704 14.680 22.870 27.920 1.00 59.22 C ATOM 547 O MET A 704 14.122 23.632 27.130 1.00 36.93 O ATOM 548 CB MET A 704 13.673 23.128 30.202 1.00 75.07 C ATOM 549 CG MET A 704 13.247 21.691 30.462 1.00 77.63 C ATOM 550 SD MET A 704 14.543 20.719 31.233 1.00 69.46 S ATOM 551 CE MET A 704 14.497 21.332 32.916 1.00 45.43 C ATOM 552 H MET A 704 14.892 25.417 28.890 1.00 0.00 H ATOM 553 N ASP A 705 15.073 21.647 27.573 1.00 49.17 N ATOM 554 CA ASP A 705 14.654 21.064 26.297 1.00 42.46 C ATOM 555 C ASP A 705 14.289 19.585 26.475 1.00 43.95 C ATOM 556 O ASP A 705 14.420 19.039 27.571 1.00 55.20 O ATOM 557 CB ASP A 705 15.737 21.274 25.219 1.00 52.19 C ATOM 558 CG ASP A 705 17.059 20.584 25.538 1.00 56.46 C ATOM 559 OD1 ASP A 705 17.083 19.651 26.357 1.00 62.99 O ATOM 560 OD2 ASP A 705 18.093 20.996 24.969 1.00 61.33 O ATOM 561 H ASP A 705 15.683 21.100 28.214 1.00 0.00 H ATOM 562 N MET A 706 13.843 18.935 25.406 1.00 41.86 N ATOM 563 CA MET A 706 13.229 17.617 25.549 1.00 58.65 C ATOM 564 C MET A 706 14.231 16.487 25.742 1.00 62.59 C ATOM 565 O MET A 706 13.965 15.527 26.467 1.00 69.58 O ATOM 566 CB MET A 706 12.350 17.326 24.336 1.00 65.81 C ATOM 567 CG MET A 706 10.980 17.973 24.424 1.00 71.43 C ATOM 568 SD MET A 706 9.965 17.664 22.975 1.00 73.50 S ATOM 569 CE MET A 706 9.226 16.095 23.419 1.00 61.70 C ATOM 570 H MET A 706 13.931 19.366 24.464 1.00 0.00 H ATOM 571 N GLU A 707 15.382 16.594 25.096 1.00 49.55 N ATOM 572 CA GLU A 707 16.400 15.568 25.242 1.00 72.79 C ATOM 573 C GLU A 707 17.044 15.640 26.635 1.00 74.60 C ATOM 574 O GLU A 707 17.559 14.644 27.136 1.00 77.57 O ATOM 575 CB GLU A 707 17.380 15.627 24.073 1.00 82.53 C ATOM 576 CG GLU A 707 16.987 14.491 23.121 1.00 95.84 C ATOM 577 CD GLU A 707 17.541 14.568 21.720 1.00106.00 C ATOM 578 OE1 GLU A 707 18.310 15.498 21.408 1.00104.88 O ATOM 579 OE2 GLU A 707 17.192 13.669 20.922 1.00109.78 O ATOM 580 H GLU A 707 15.558 17.415 24.482 1.00 0.00 H ATOM 581 N LYS A 708 17.017 16.820 27.250 1.00 71.34 N ATOM 582 CA LYS A 708 17.482 16.958 28.626 1.00 58.89 C ATOM 583 C LYS A 708 16.464 16.274 29.534 1.00 62.88 C ATOM 584 O LYS A 708 16.832 15.558 30.467 1.00 50.73 O ATOM 585 CB LYS A 708 17.631 18.450 28.984 1.00 63.88 C ATOM 586 CG LYS A 708 17.302 18.897 30.418 1.00 81.61 C ATOM 587 CD LYS A 708 17.931 18.041 31.511 1.00 94.72 C ATOM 588 CE LYS A 708 17.746 18.635 32.888 1.00 92.88 C ATOM 589 NZ LYS A 708 18.418 19.950 32.922 1.00 99.62 N ATOM 590 HZ1 LYS A 708 19.431 19.826 32.720 1.00 0.00 H ATOM 591 HZ2 LYS A 708 17.994 20.573 32.205 1.00 0.00 H ATOM 592 HZ3 LYS A 708 18.300 20.374 33.864 1.00 0.00 H ATOM 593 H LYS A 708 16.660 17.655 26.743 1.00 0.00 H ATOM 594 N ILE A 709 15.189 16.436 29.211 1.00 60.17 N ATOM 595 CA ILE A 709 14.110 15.763 29.925 1.00 67.27 C ATOM 596 C ILE A 709 14.252 14.255 29.786 1.00 72.23 C ATOM 597 O ILE A 709 14.087 13.494 30.742 1.00 81.66 O ATOM 598 CB ILE A 709 12.748 16.220 29.403 1.00 65.42 C ATOM 599 CG1 ILE A 709 12.520 17.682 29.791 1.00 70.35 C ATOM 600 CG2 ILE A 709 11.644 15.342 29.955 1.00 56.52 C ATOM 601 CD1 ILE A 709 11.188 18.229 29.357 1.00 72.05 C ATOM 602 H ILE A 709 14.949 17.066 28.419 1.00 0.00 H ATOM 603 N ARG A 710 14.610 13.854 28.577 1.00 65.50 N ATOM 604 CA ARG A 710 14.833 12.467 28.217 1.00 64.71 C ATOM 605 C ARG A 710 15.952 11.801 28.998 1.00 63.35 C ATOM 606 O ARG A 710 15.861 10.628 29.364 1.00 71.76 O ATOM 607 CB ARG A 710 15.189 12.435 26.737 1.00 51.66 C ATOM 608 CG ARG A 710 15.994 11.253 26.284 1.00 48.92 C ATOM 609 CD ARG A 710 16.237 11.396 24.799 1.00 63.33 C ATOM 610 NE ARG A 710 16.886 10.242 24.190 1.00 91.19 N ATOM 611 CZ ARG A 710 16.341 9.035 24.108 1.00104.85 C ATOM 612 NH1 ARG A 710 15.129 8.820 24.601 1.00111.40 N ATOM 613 NH2 ARG A 710 17.005 8.044 23.529 1.00105.81 N ATOM 614 HE ARG A 710 17.839 10.373 23.794 1.00 0.00 H ATOM 615 HH12 ARG A 710 14.702 7.874 24.537 1.00 0.00 H ATOM 616 HH11 ARG A 710 14.606 9.597 25.052 1.00 0.00 H ATOM 617 HH22 ARG A 710 16.577 7.098 23.465 1.00 0.00 H ATOM 618 HH21 ARG A 710 17.954 8.212 23.138 1.00 0.00 H ATOM 619 H ARG A 710 14.739 14.577 27.841 1.00 0.00 H ATOM 620 N SER A 711 16.982 12.577 29.306 1.00 68.02 N ATOM 621 CA SER A 711 18.142 12.048 30.002 1.00 74.22 C ATOM 622 C SER A 711 17.867 11.761 31.470 1.00 85.62 C ATOM 623 O SER A 711 18.635 11.047 32.093 1.00 86.23 O ATOM 624 CB SER A 711 19.330 13.001 29.861 1.00 80.01 C ATOM 625 OG SER A 711 19.904 12.900 28.568 1.00 85.47 O ATOM 626 HG SER A 711 19.224 13.133 27.887 1.00 0.00 H ATOM 627 H SER A 711 16.959 13.583 29.044 1.00 0.00 H ATOM 628 N HIS A 712 16.797 12.320 32.032 1.00 92.95 N ATOM 629 CA HIS A 712 16.453 12.011 33.421 1.00105.04 C ATOM 630 C HIS A 712 15.437 10.888 33.549 1.00 93.78 C ATOM 631 O HIS A 712 15.476 10.107 34.500 1.00 88.25 O ATOM 632 CB HIS A 712 15.836 13.225 34.122 1.00102.67 C ATOM 633 CG HIS A 712 16.800 14.308 34.478 1.00109.68 C ATOM 634 ND1 HIS A 712 18.167 14.136 34.470 1.00111.27 N ATOM 635 CD2 HIS A 712 16.583 15.582 34.882 1.00111.35 C ATOM 636 CE1 HIS A 712 18.751 15.262 34.841 1.00115.69 C ATOM 637 NE2 HIS A 712 17.812 16.155 35.097 1.00115.51 N ATOM 638 H HIS A 712 16.205 12.977 31.484 1.00 0.00 H ATOM 639 N MET A 713 14.540 10.795 32.573 1.00 82.49 N ATOM 640 CA MET A 713 13.563 9.719 32.545 1.00 88.05 C ATOM 641 C MET A 713 14.179 8.364 32.272 1.00 90.03 C ATOM 642 O MET A 713 13.878 7.382 32.953 1.00 81.61 O ATOM 643 CB MET A 713 12.495 10.021 31.497 1.00 84.89 C ATOM 644 CG MET A 713 11.443 8.943 31.356 1.00 84.65 C ATOM 645 SD MET A 713 10.413 9.248 29.913 1.00111.00 S ATOM 646 CE MET A 713 11.602 9.146 28.581 1.00 59.52 C ATOM 647 H MET A 713 14.537 11.506 31.814 1.00 0.00 H ATOM 648 N MET A 714 15.051 8.321 31.274 1.00 91.54 N ATOM 649 CA MET A 714 15.678 7.076 30.887 1.00 87.98 C ATOM 650 C MET A 714 16.744 6.774 31.867 1.00 81.97 C ATOM 651 O MET A 714 17.112 5.628 32.098 1.00 65.96 O ATOM 652 CB MET A 714 16.311 7.179 29.511 1.00 76.03 C ATOM 653 CG MET A 714 15.321 7.214 28.405 1.00 65.61 C ATOM 654 SD MET A 714 14.118 5.902 28.635 1.00101.30 S ATOM 655 CE MET A 714 15.164 4.464 28.417 1.00 92.72 C ATOM 656 H MET A 714 15.288 9.195 30.762 1.00 0.00 H ATOM 657 N ALA A 715 17.247 7.816 32.486 1.00 80.66 N ATOM 658 CA ALA A 715 18.256 7.510 33.444 1.00 98.00 C ATOM 659 C ALA A 715 17.681 7.101 34.811 1.00105.20 C ATOM 660 O ALA A 715 18.208 6.132 35.337 1.00110.36 O ATOM 661 CB ALA A 715 19.227 8.665 33.587 1.00 86.52 C ATOM 662 H ALA A 715 16.934 8.789 32.292 1.00 0.00 H ATOM 663 N ASN A 716 16.612 7.726 35.348 1.00122.95 N ATOM 664 CA ASN A 716 16.277 7.520 36.771 1.00143.38 C ATOM 665 C ASN A 716 15.337 8.450 37.603 1.00132.71 C ATOM 666 O ASN A 716 14.788 8.002 38.618 1.00144.87 O ATOM 667 CB ASN A 716 17.457 7.795 37.649 1.00158.38 C ATOM 668 CG ASN A 716 18.621 6.835 37.621 1.00170.83 C ATOM 669 OD1 ASN A 716 19.751 7.248 37.939 1.00172.67 O ATOM 670 ND2 ASN A 716 18.407 5.589 37.265 1.00174.85 N ATOM 671 HD22 ASN A 716 17.449 5.280 37.006 1.00 0.00 H ATOM 672 HD21 ASN A 716 19.196 4.912 37.242 1.00 0.00 H ATOM 673 H ASN A 716 16.025 8.352 34.760 1.00 0.00 H ATOM 674 N LYS A 717 15.403 9.772 37.359 1.00115.15 N ATOM 675 CA LYS A 717 15.058 10.777 38.428 1.00112.75 C ATOM 676 C LYS A 717 13.633 11.307 38.656 1.00109.12 C ATOM 677 O LYS A 717 13.435 12.158 39.536 1.00114.25 O ATOM 678 CB LYS A 717 15.932 12.059 38.268 1.00117.47 C ATOM 679 CG LYS A 717 17.519 11.966 38.112 1.00127.99 C ATOM 680 CD LYS A 717 18.253 10.631 38.394 1.00135.95 C ATOM 681 CE LYS A 717 18.164 10.080 39.860 1.00150.05 C ATOM 682 NZ LYS A 717 18.810 8.747 40.142 1.00144.71 N ATOM 683 HZ1 LYS A 717 18.370 8.017 39.546 1.00 0.00 H ATOM 684 HZ2 LYS A 717 19.827 8.804 39.930 1.00 0.00 H ATOM 685 HZ3 LYS A 717 18.677 8.504 41.144 1.00 0.00 H ATOM 686 H LYS A 717 15.697 10.105 36.419 1.00 0.00 H ATOM 687 N TYR A 718 12.651 10.798 37.927 1.00 94.10 N ATOM 688 CA TYR A 718 11.284 11.271 38.081 1.00 87.65 C ATOM 689 C TYR A 718 10.504 10.294 38.947 1.00 90.72 C ATOM 690 O TYR A 718 10.472 9.098 38.659 1.00 88.67 O ATOM 691 CB TYR A 718 10.638 11.431 36.717 1.00 70.24 C ATOM 692 CG TYR A 718 11.193 12.589 35.922 1.00 76.85 C ATOM 693 CD1 TYR A 718 10.962 13.903 36.304 1.00 88.78 C ATOM 694 CD2 TYR A 718 11.945 12.362 34.776 1.00 77.99 C ATOM 695 CE1 TYR A 718 11.475 14.960 35.567 1.00 84.07 C ATOM 696 CE2 TYR A 718 12.452 13.408 34.033 1.00 66.86 C ATOM 697 CZ TYR A 718 12.217 14.703 34.431 1.00 73.67 C ATOM 698 OH TYR A 718 12.728 15.742 33.689 1.00 72.49 O ATOM 699 HH TYR A 718 12.471 16.602 34.107 1.00 0.00 H ATOM 700 H TYR A 718 12.860 10.050 37.235 1.00 0.00 H ATOM 701 N GLN A 719 9.892 10.795 40.015 1.00 87.13 N ATOM 702 CA GLN A 719 9.242 9.912 40.971 1.00 98.66 C ATOM 703 C GLN A 719 7.809 9.569 40.562 1.00104.07 C ATOM 704 O GLN A 719 7.323 8.475 40.849 1.00122.56 O ATOM 705 CB GLN A 719 9.258 10.554 42.355 1.00 98.03 C ATOM 706 CG GLN A 719 10.647 10.590 42.966 1.00103.84 C ATOM 707 CD GLN A 719 11.276 9.217 43.076 1.00107.07 C ATOM 708 OE1 GLN A 719 10.614 8.242 43.427 1.00113.92 O ATOM 709 NE2 GLN A 719 12.561 9.130 42.748 1.00105.15 N ATOM 710 HE22 GLN A 719 13.082 9.982 42.457 1.00 0.00 H ATOM 711 HE21 GLN A 719 13.045 8.210 42.783 1.00 0.00 H ATOM 712 H GLN A 719 9.878 11.824 40.168 1.00 0.00 H ATOM 713 N ASP A 720 7.133 10.507 39.906 1.00 97.56 N ATOM 714 CA ASP A 720 5.815 10.249 39.331 1.00 96.39 C ATOM 715 C ASP A 720 5.672 11.086 38.059 1.00 89.31 C ATOM 716 O ASP A 720 6.624 11.751 37.637 1.00 62.04 O ATOM 717 CB ASP A 720 4.678 10.539 40.319 1.00100.81 C ATOM 718 CG ASP A 720 4.584 11.999 40.704 1.00104.28 C ATOM 719 OD1 ASP A 720 5.623 12.607 41.032 1.00109.37 O ATOM 720 OD2 ASP A 720 3.456 12.537 40.678 1.00 96.77 O ATOM 721 H ASP A 720 7.555 11.452 39.799 1.00 0.00 H ATOM 722 N ILE A 721 4.491 11.051 37.445 1.00 87.67 N ATOM 723 CA ILE A 721 4.269 11.758 36.186 1.00 92.40 C ATOM 724 C ILE A 721 4.344 13.278 36.344 1.00102.06 C ATOM 725 O ILE A 721 5.014 13.955 35.562 1.00 87.93 O ATOM 726 CB ILE A 721 2.886 11.459 35.576 1.00 96.77 C ATOM 727 CG1 ILE A 721 2.662 9.971 35.320 1.00108.92 C ATOM 728 CG2 ILE A 721 2.746 12.217 34.261 1.00 84.60 C ATOM 729 CD1 ILE A 721 3.504 9.404 34.221 1.00106.58 C ATOM 730 H ILE A 721 3.711 10.510 37.870 1.00 0.00 H ATOM 731 N ASP A 722 3.672 13.824 37.355 1.00123.24 N ATOM 732 CA ASP A 722 3.589 15.276 37.463 1.00130.70 C ATOM 733 C ASP A 722 4.982 15.855 37.713 1.00124.27 C ATOM 734 O ASP A 722 5.232 17.033 37.441 1.00133.26 O ATOM 735 CB ASP A 722 2.613 15.738 38.562 1.00144.00 C ATOM 736 CG ASP A 722 1.251 15.072 38.464 1.00151.37 C ATOM 737 OD1 ASP A 722 0.827 14.716 37.340 1.00153.71 O ATOM 738 OD2 ASP A 722 0.576 14.967 39.505 1.00153.59 O ATOM 739 H ASP A 722 3.209 13.219 38.063 1.00 0.00 H ATOM 740 N SER A 723 5.885 15.027 38.228 1.00108.02 N ATOM 741 CA SER A 723 7.280 15.438 38.367 1.00 92.33 C ATOM 742 C SER A 723 7.901 15.741 37.006 1.00 92.20 C ATOM 743 O SER A 723 8.611 16.733 36.860 1.00 88.68 O ATOM 744 CB SER A 723 8.103 14.360 39.078 1.00 88.71 C ATOM 745 OG SER A 723 9.463 14.755 39.191 1.00 85.66 O ATOM 746 HG SER A 723 9.975 14.044 39.653 1.00 0.00 H ATOM 747 H SER A 723 5.596 14.077 38.535 1.00 0.00 H ATOM 748 N MET A 724 7.619 14.906 36.007 1.00 84.18 N ATOM 749 CA MET A 724 8.138 15.139 34.661 1.00 62.51 C ATOM 750 C MET A 724 7.386 16.270 33.973 1.00 56.99 C ATOM 751 O MET A 724 7.963 17.020 33.186 1.00 70.58 O ATOM 752 CB MET A 724 8.069 13.874 33.805 1.00 63.13 C ATOM 753 CG MET A 724 8.892 13.973 32.512 1.00 53.31 C ATOM 754 SD MET A 724 8.555 12.658 31.317 1.00 60.18 S ATOM 755 CE MET A 724 6.874 13.085 30.906 1.00 67.93 C ATOM 756 H MET A 724 7.020 14.075 36.188 1.00 0.00 H ATOM 757 N VAL A 725 6.091 16.371 34.261 1.00 46.27 N ATOM 758 CA VAL A 725 5.249 17.422 33.693 1.00 58.97 C ATOM 759 C VAL A 725 5.781 18.824 33.967 1.00 52.51 C ATOM 760 O VAL A 725 5.790 19.672 33.072 1.00 54.02 O ATOM 761 CB VAL A 725 3.801 17.326 34.234 1.00 61.11 C ATOM 762 CG1 VAL A 725 3.003 18.580 33.895 1.00 55.63 C ATOM 763 CG2 VAL A 725 3.111 16.085 33.689 1.00 60.37 C ATOM 764 H VAL A 725 5.664 15.680 34.911 1.00 0.00 H ATOM 765 N GLU A 726 6.262 19.059 35.185 1.00 57.06 N ATOM 766 CA GLU A 726 6.719 20.397 35.544 1.00 56.15 C ATOM 767 C GLU A 726 7.986 20.845 34.812 1.00 58.79 C ATOM 768 O GLU A 726 8.208 22.042 34.659 1.00 71.59 O ATOM 769 CB GLU A 726 6.954 20.505 37.055 1.00 77.75 C ATOM 770 CG GLU A 726 8.161 19.733 37.567 1.00 88.92 C ATOM 771 CD GLU A 726 8.308 19.832 39.073 1.00102.30 C ATOM 772 OE1 GLU A 726 8.619 20.948 39.542 1.00 98.03 O ATOM 773 OE2 GLU A 726 8.087 18.830 39.789 1.00116.59 O ATOM 774 H GLU A 726 6.312 18.288 35.882 1.00 0.00 H ATOM 775 N ASP A 727 8.788 19.909 34.314 1.00 43.64 N ATOM 776 CA ASP A 727 9.932 20.301 33.497 1.00 65.27 C ATOM 777 C ASP A 727 9.453 20.578 32.082 1.00 57.89 C ATOM 778 O ASP A 727 10.009 21.420 31.377 1.00 52.54 O ATOM 779 CB ASP A 727 11.021 19.229 33.495 1.00 56.47 C ATOM 780 CG ASP A 727 11.794 19.181 34.791 1.00 63.05 C ATOM 781 OD1 ASP A 727 11.532 20.022 35.677 1.00 70.41 O ATOM 782 OD2 ASP A 727 12.673 18.303 34.918 1.00 81.10 O ATOM 783 H ASP A 727 8.601 18.904 34.505 1.00 0.00 H ATOM 784 N PHE A 728 8.403 19.872 31.680 1.00 65.39 N ATOM 785 CA PHE A 728 7.751 20.144 30.410 1.00 60.85 C ATOM 786 C PHE A 728 7.047 21.496 30.489 1.00 56.50 C ATOM 787 O PHE A 728 7.223 22.349 29.620 1.00 52.89 O ATOM 788 CB PHE A 728 6.771 19.028 30.060 1.00 63.98 C ATOM 789 CG PHE A 728 7.355 17.976 29.164 1.00 72.75 C ATOM 790 CD1 PHE A 728 7.977 18.328 27.976 1.00 68.90 C ATOM 791 CD2 PHE A 728 7.300 16.637 29.515 1.00 63.32 C ATOM 792 CE1 PHE A 728 8.521 17.363 27.147 1.00 62.39 C ATOM 793 CE2 PHE A 728 7.844 15.666 28.690 1.00 70.41 C ATOM 794 CZ PHE A 728 8.455 16.031 27.505 1.00 56.73 C ATOM 795 H PHE A 728 8.040 19.109 32.286 1.00 0.00 H ATOM 796 N VAL A 729 6.239 21.672 31.531 1.00 51.25 N ATOM 797 CA VAL A 729 5.512 22.916 31.758 1.00 50.14 C ATOM 798 C VAL A 729 6.479 24.097 31.845 1.00 61.90 C ATOM 799 O VAL A 729 6.221 25.172 31.298 1.00 56.96 O ATOM 800 CB VAL A 729 4.657 22.834 33.043 1.00 60.11 C ATOM 801 CG1 VAL A 729 4.282 24.219 33.546 1.00 73.24 C ATOM 802 CG2 VAL A 729 3.417 21.988 32.800 1.00 56.32 C ATOM 803 H VAL A 729 6.121 20.893 32.210 1.00 0.00 H ATOM 804 N MET A 730 7.596 23.879 32.532 1.00 67.75 N ATOM 805 CA MET A 730 8.647 24.886 32.648 1.00 70.73 C ATOM 806 C MET A 730 9.245 25.244 31.290 1.00 70.90 C ATOM 807 O MET A 730 9.397 26.422 30.965 1.00 77.50 O ATOM 808 CB MET A 730 9.751 24.397 33.590 1.00 70.77 C ATOM 809 CG MET A 730 10.853 25.407 33.871 1.00 79.87 C ATOM 810 SD MET A 730 12.038 24.809 35.098 1.00135.27 S ATOM 811 CE MET A 730 11.130 25.068 36.621 1.00110.52 C ATOM 812 H MET A 730 7.726 22.961 33.003 1.00 0.00 H ATOM 813 N MET A 731 9.575 24.223 30.503 1.00 64.04 N ATOM 814 CA MET A 731 10.140 24.422 29.168 1.00 65.07 C ATOM 815 C MET A 731 9.239 25.270 28.276 1.00 44.79 C ATOM 816 O MET A 731 9.716 26.164 27.576 1.00 45.68 O ATOM 817 CB MET A 731 10.419 23.077 28.489 1.00 58.67 C ATOM 818 CG MET A 731 10.920 23.218 27.056 1.00 53.70 C ATOM 819 SD MET A 731 11.100 21.661 26.156 1.00 52.96 S ATOM 820 CE MET A 731 9.399 21.129 26.071 1.00 33.64 C ATOM 821 H MET A 731 9.427 23.253 30.848 1.00 0.00 H ATOM 822 N PHE A 732 7.940 24.988 28.303 1.00 42.61 N ATOM 823 CA PHE A 732 6.982 25.738 27.496 1.00 52.33 C ATOM 824 C PHE A 732 6.930 27.207 27.897 1.00 61.52 C ATOM 825 O PHE A 732 6.974 28.096 27.047 1.00 60.58 O ATOM 826 CB PHE A 732 5.588 25.126 27.620 1.00 62.67 C ATOM 827 CG PHE A 732 5.495 23.722 27.106 1.00 69.40 C ATOM 828 CD1 PHE A 732 6.255 23.314 26.024 1.00 64.41 C ATOM 829 CD2 PHE A 732 4.648 22.808 27.708 1.00 73.12 C ATOM 830 CE1 PHE A 732 6.167 22.018 25.550 1.00 67.11 C ATOM 831 CE2 PHE A 732 4.558 21.514 27.241 1.00 50.47 C ATOM 832 CZ PHE A 732 5.320 21.119 26.160 1.00 58.94 C ATOM 833 H PHE A 732 7.599 24.217 28.912 1.00 0.00 H ATOM 834 N ASN A 733 6.843 27.454 29.198 1.00 62.33 N ATOM 835 CA ASN A 733 6.804 28.813 29.710 1.00 77.50 C ATOM 836 C ASN A 733 8.058 29.580 29.313 1.00 68.82 C ATOM 837 O ASN A 733 7.998 30.783 29.049 1.00 49.51 O ATOM 838 CB ASN A 733 6.629 28.820 31.229 1.00 94.38 C ATOM 839 CG ASN A 733 7.126 30.106 31.867 1.00101.98 C ATOM 840 OD1 ASN A 733 8.263 30.184 32.333 1.00104.53 O ATOM 841 ND2 ASN A 733 6.278 31.128 31.875 1.00103.01 N ATOM 842 HD22 ASN A 733 5.326 31.017 31.470 1.00 0.00 H ATOM 843 HD21 ASN A 733 6.565 32.039 32.286 1.00 0.00 H ATOM 844 H ASN A 733 6.802 26.657 29.865 1.00 0.00 H ATOM 845 N ASN A 734 9.195 28.887 29.278 1.00 59.05 N ATOM 846 CA ASN A 734 10.423 29.507 28.794 1.00 63.69 C ATOM 847 C ASN A 734 10.258 29.946 27.343 1.00 71.53 C ATOM 848 O ASN A 734 10.578 31.082 26.989 1.00 74.59 O ATOM 849 CB ASN A 734 11.620 28.561 28.902 1.00 39.53 C ATOM 850 CG ASN A 734 11.888 28.109 30.321 1.00 70.58 C ATOM 851 OD1 ASN A 734 11.391 28.698 31.280 1.00 95.38 O ATOM 852 ND2 ASN A 734 12.742 27.103 30.463 1.00 70.66 N ATOM 853 HD22 ASN A 734 13.137 26.634 29.623 1.00 0.00 H ATOM 854 HD21 ASN A 734 13.016 26.784 31.414 1.00 0.00 H ATOM 855 H ASN A 734 9.207 27.897 29.598 1.00 0.00 H ATOM 856 N ALA A 735 9.769 29.030 26.508 1.00 52.24 N ATOM 857 CA ALA A 735 9.561 29.307 25.090 1.00 52.73 C ATOM 858 C ALA A 735 8.599 30.464 24.891 1.00 50.31 C ATOM 859 O ALA A 735 8.804 31.314 24.028 1.00 50.86 O ATOM 860 CB ALA A 735 9.053 28.065 24.369 1.00 37.06 C ATOM 861 H ALA A 735 9.528 28.088 26.878 1.00 0.00 H ATOM 862 N CYS A 736 7.556 30.494 25.711 1.00 47.39 N ATOM 863 CA CYS A 736 6.535 31.522 25.608 1.00 59.10 C ATOM 864 C CYS A 736 6.996 32.840 26.220 1.00 70.60 C ATOM 865 O CYS A 736 6.346 33.869 26.055 1.00 74.14 O ATOM 866 CB CYS A 736 5.249 31.052 26.288 1.00 58.60 C ATOM 867 SG CYS A 736 4.381 29.749 25.406 1.00 64.34 S ATOM 868 H CYS A 736 7.467 29.763 26.446 1.00 0.00 H ATOM 869 N THR A 737 8.123 32.802 26.923 1.00 63.91 N ATOM 870 CA THR A 737 8.715 34.009 27.483 1.00 66.68 C ATOM 871 C THR A 737 9.668 34.648 26.481 1.00 78.51 C ATOM 872 O THR A 737 9.642 35.859 26.253 1.00 81.80 O ATOM 873 CB THR A 737 9.492 33.719 28.786 1.00 65.18 C ATOM 874 OG1 THR A 737 8.627 33.099 29.747 1.00 57.49 O ATOM 875 CG2 THR A 737 10.057 35.010 29.367 1.00 63.19 C ATOM 876 HG1 THR A 737 8.281 32.248 29.378 1.00 0.00 H ATOM 877 H THR A 737 8.594 31.888 27.077 1.00 0.00 H ATOM 878 N TYR A 738 10.502 33.806 25.878 1.00 63.66 N ATOM 879 CA TYR A 738 11.563 34.252 24.986 1.00 64.74 C ATOM 880 C TYR A 738 11.026 34.618 23.609 1.00 57.36 C ATOM 881 O TYR A 738 11.585 35.463 22.911 1.00 66.19 O ATOM 882 CB TYR A 738 12.624 33.160 24.859 1.00 51.83 C ATOM 883 CG TYR A 738 13.824 33.568 24.046 1.00 47.85 C ATOM 884 CD1 TYR A 738 14.872 34.258 24.637 1.00 56.24 C ATOM 885 CD2 TYR A 738 13.911 33.273 22.692 1.00 60.73 C ATOM 886 CE1 TYR A 738 15.974 34.639 23.908 1.00 77.45 C ATOM 887 CE2 TYR A 738 15.012 33.653 21.950 1.00 71.16 C ATOM 888 CZ TYR A 738 16.041 34.336 22.564 1.00 76.65 C ATOM 889 OH TYR A 738 17.143 34.720 21.832 1.00 70.29 O ATOM 890 HH TYR A 738 17.780 35.195 22.422 1.00 0.00 H ATOM 891 H TYR A 738 10.392 32.786 26.051 1.00 0.00 H ATOM 892 N ASN A 739 9.942 33.959 23.224 1.00 64.34 N ATOM 893 CA ASN A 739 9.315 34.171 21.929 1.00 53.77 C ATOM 894 C ASN A 739 8.071 35.030 22.125 1.00 49.82 C ATOM 895 O ASN A 739 7.464 34.990 23.194 1.00 53.60 O ATOM 896 CB ASN A 739 8.946 32.831 21.295 1.00 52.51 C ATOM 897 CG ASN A 739 10.154 31.939 21.068 1.00 56.72 C ATOM 898 OD1 ASN A 739 10.795 31.992 20.020 1.00 58.68 O ATOM 899 ND2 ASN A 739 10.464 31.102 22.057 1.00 42.38 N ATOM 900 HD22 ASN A 739 9.894 31.091 22.927 1.00 0.00 H ATOM 901 HD21 ASN A 739 11.276 30.460 21.959 1.00 0.00 H ATOM 902 H ASN A 739 9.524 33.263 23.874 1.00 0.00 H ATOM 903 N GLU A 740 7.682 35.812 21.125 1.00 49.09 N ATOM 904 CA GLU A 740 6.526 36.689 21.314 1.00 76.11 C ATOM 905 C GLU A 740 5.233 35.904 21.088 1.00 62.09 C ATOM 906 O GLU A 740 5.216 34.950 20.320 1.00 64.86 O ATOM 907 CB GLU A 740 6.637 37.931 20.414 1.00 79.68 C ATOM 908 CG GLU A 740 7.502 39.010 21.053 1.00 99.10 C ATOM 909 CD GLU A 740 6.676 40.208 21.510 1.00115.44 C ATOM 910 OE1 GLU A 740 6.097 40.895 20.641 1.00127.50 O ATOM 911 OE2 GLU A 740 6.523 40.405 22.736 1.00113.72 O ATOM 912 H GLU A 740 8.192 35.801 20.219 1.00 0.00 H ATOM 913 N PRO A 741 4.147 36.308 21.777 1.00 72.38 N ATOM 914 CA PRO A 741 2.890 35.547 21.859 1.00 74.18 C ATOM 915 C PRO A 741 2.317 35.061 20.537 1.00 79.55 C ATOM 916 O PRO A 741 1.707 33.992 20.468 1.00 81.63 O ATOM 917 CB PRO A 741 1.923 36.546 22.514 1.00 81.36 C ATOM 918 CG PRO A 741 2.594 37.888 22.396 1.00 93.08 C ATOM 919 CD PRO A 741 4.042 37.581 22.507 1.00 86.18 C ATOM 920 N GLU A 742 2.501 35.852 19.498 1.00 89.39 N ATOM 921 CA GLU A 742 2.030 35.497 18.173 1.00 87.81 C ATOM 922 C GLU A 742 3.057 34.672 17.402 1.00 87.95 C ATOM 923 O GLU A 742 2.843 34.373 16.236 1.00 94.42 O ATOM 924 CB GLU A 742 1.622 36.753 17.414 1.00 90.19 C ATOM 925 CG GLU A 742 2.787 37.506 16.870 1.00 94.65 C ATOM 926 CD GLU A 742 3.385 38.394 17.929 1.00108.86 C ATOM 927 OE1 GLU A 742 2.839 38.414 19.054 1.00112.77 O ATOM 928 OE2 GLU A 742 4.392 39.068 17.643 1.00112.86 O ATOM 929 H GLU A 742 2.998 36.756 19.632 1.00 0.00 H ATOM 930 N SER A 743 4.170 34.303 18.034 1.00 82.64 N ATOM 931 CA SER A 743 5.193 33.565 17.302 1.00 87.82 C ATOM 932 C SER A 743 4.785 32.106 17.285 1.00 88.22 C ATOM 933 O SER A 743 4.036 31.649 18.143 1.00 94.91 O ATOM 934 CB SER A 743 6.583 33.698 17.926 1.00 89.90 C ATOM 935 OG SER A 743 6.725 32.825 19.035 1.00 94.47 O ATOM 936 HG SER A 743 6.045 33.049 19.719 1.00 0.00 H ATOM 937 H SER A 743 4.308 34.538 19.038 1.00 0.00 H ATOM 938 N LEU A 744 5.323 31.376 16.320 1.00 69.43 N ATOM 939 CA LEU A 744 4.940 29.997 16.090 1.00 62.98 C ATOM 940 C LEU A 744 5.350 29.043 17.196 1.00 66.13 C ATOM 941 O LEU A 744 4.579 28.167 17.602 1.00 59.16 O ATOM 942 CB LEU A 744 5.570 29.533 14.788 1.00 60.71 C ATOM 943 CG LEU A 744 5.211 28.104 14.442 1.00 67.31 C ATOM 944 CD1 LEU A 744 3.699 27.973 14.458 1.00 75.71 C ATOM 945 CD2 LEU A 744 5.820 27.753 13.101 1.00 81.86 C ATOM 946 H LEU A 744 6.044 31.806 15.707 1.00 0.00 H ATOM 947 N ILE A 745 6.572 29.226 17.674 1.00 47.34 N ATOM 948 CA ILE A 745 7.095 28.454 18.781 1.00 57.46 C ATOM 949 C ILE A 745 6.162 28.612 19.967 1.00 65.38 C ATOM 950 O ILE A 745 5.812 27.637 20.634 1.00 58.98 O ATOM 951 CB ILE A 745 8.514 28.905 19.143 1.00 63.20 C ATOM 952 CG1 ILE A 745 9.440 28.686 17.946 1.00 58.93 C ATOM 953 CG2 ILE A 745 9.016 28.165 20.378 1.00 51.77 C ATOM 954 CD1 ILE A 745 10.807 29.273 18.122 1.00 56.95 C ATOM 955 H ILE A 745 7.177 29.951 17.238 1.00 0.00 H ATOM 956 N TYR A 746 5.764 29.858 20.213 1.00 63.36 N ATOM 957 CA TYR A 746 4.842 30.194 21.292 1.00 68.96 C ATOM 958 C TYR A 746 3.551 29.367 21.271 1.00 80.58 C ATOM 959 O TYR A 746 3.174 28.792 22.289 1.00 90.97 O ATOM 960 CB TYR A 746 4.502 31.686 21.229 1.00 49.70 C ATOM 961 CG TYR A 746 3.742 32.214 22.423 1.00 39.58 C ATOM 962 CD1 TYR A 746 2.375 31.997 22.557 1.00 41.90 C ATOM 963 CD2 TYR A 746 4.383 32.960 23.402 1.00 45.11 C ATOM 964 CE1 TYR A 746 1.675 32.487 23.643 1.00 59.10 C ATOM 965 CE2 TYR A 746 3.687 33.463 24.492 1.00 45.08 C ATOM 966 CZ TYR A 746 2.335 33.221 24.607 1.00 58.16 C ATOM 967 OH TYR A 746 1.639 33.711 25.691 1.00 53.31 O ATOM 968 HH TYR A 746 0.687 33.448 25.617 1.00 0.00 H ATOM 969 H TYR A 746 6.126 30.624 19.610 1.00 0.00 H ATOM 970 N LYS A 747 2.876 29.302 20.126 1.00 66.72 N ATOM 971 CA LYS A 747 1.620 28.552 20.031 1.00 75.32 C ATOM 972 C LYS A 747 1.821 27.048 20.053 1.00 68.78 C ATOM 973 O LYS A 747 0.963 26.314 20.543 1.00 87.47 O ATOM 974 CB LYS A 747 0.834 28.945 18.783 1.00 84.95 C ATOM 975 CG LYS A 747 0.778 30.427 18.551 1.00 73.73 C ATOM 976 CD LYS A 747 1.343 30.787 17.208 1.00 61.86 C ATOM 977 CE LYS A 747 0.855 32.151 16.791 1.00 72.01 C ATOM 978 NZ LYS A 747 1.484 32.579 15.514 1.00 78.50 N ATOM 979 HZ1 LYS A 747 2.516 32.617 15.633 1.00 0.00 H ATOM 980 HZ2 LYS A 747 1.245 31.897 14.766 1.00 0.00 H ATOM 981 HZ3 LYS A 747 1.129 33.521 15.253 1.00 0.00 H ATOM 982 H LYS A 747 3.245 29.791 19.286 1.00 0.00 H ATOM 983 N ASP A 748 2.936 26.579 19.508 1.00 56.20 N ATOM 984 CA ASP A 748 3.201 25.148 19.523 1.00 58.11 C ATOM 985 C ASP A 748 3.475 24.704 20.955 1.00 51.81 C ATOM 986 O ASP A 748 3.099 23.602 21.345 1.00 61.31 O ATOM 987 CB ASP A 748 4.358 24.787 18.594 1.00 64.42 C ATOM 988 CG ASP A 748 4.033 25.058 17.137 1.00 81.22 C ATOM 989 OD1 ASP A 748 2.846 25.312 16.835 1.00 88.17 O ATOM 990 OD2 ASP A 748 4.953 25.001 16.294 1.00 88.24 O ATOM 991 H ASP A 748 3.618 27.232 19.072 1.00 0.00 H ATOM 992 N ALA A 749 4.134 25.560 21.729 1.00 58.18 N ATOM 993 CA ALA A 749 4.301 25.317 23.156 1.00 59.34 C ATOM 994 C ALA A 749 2.931 25.148 23.807 1.00 59.05 C ATOM 995 O ALA A 749 2.693 24.201 24.556 1.00 55.45 O ATOM 996 CB ALA A 749 5.067 26.458 23.812 1.00 56.72 C ATOM 997 H ALA A 749 4.539 26.421 21.308 1.00 0.00 H ATOM 998 N LEU A 750 2.032 26.074 23.488 1.00 67.22 N ATOM 999 CA LEU A 750 0.665 26.066 23.995 1.00 64.03 C ATOM 1000 C LEU A 750 -0.077 24.770 23.656 1.00 55.36 C ATOM 1001 O LEU A 750 -0.676 24.145 24.528 1.00 48.70 O ATOM 1002 CB LEU A 750 -0.100 27.267 23.436 1.00 65.82 C ATOM 1003 CG LEU A 750 0.374 28.643 23.926 1.00 83.43 C ATOM 1004 CD1 LEU A 750 -0.678 29.719 23.682 1.00 81.37 C ATOM 1005 CD2 LEU A 750 0.806 28.616 25.389 1.00 82.81 C ATOM 1006 H LEU A 750 2.317 26.841 22.846 1.00 0.00 H ATOM 1007 N VAL A 751 -0.049 24.386 22.382 1.00 54.05 N ATOM 1008 CA VAL A 751 -0.744 23.185 21.920 1.00 64.09 C ATOM 1009 C VAL A 751 -0.168 21.932 22.579 1.00 52.00 C ATOM 1010 O VAL A 751 -0.909 21.076 23.061 1.00 53.10 O ATOM 1011 CB VAL A 751 -0.674 23.039 20.386 1.00 74.64 C ATOM 1012 CG1 VAL A 751 -1.292 21.720 19.945 1.00 89.52 C ATOM 1013 CG2 VAL A 751 -1.371 24.212 19.710 1.00 63.10 C ATOM 1014 H VAL A 751 0.483 24.957 21.695 1.00 0.00 H ATOM 1015 N LEU A 752 1.159 21.837 22.595 1.00 47.61 N ATOM 1016 CA LEU A 752 1.849 20.708 23.211 1.00 46.22 C ATOM 1017 C LEU A 752 1.567 20.657 24.713 1.00 58.66 C ATOM 1018 O LEU A 752 1.554 19.577 25.307 1.00 59.24 O ATOM 1019 CB LEU A 752 3.354 20.781 22.941 1.00 39.62 C ATOM 1020 CG LEU A 752 3.743 20.483 21.487 1.00 43.65 C ATOM 1021 CD1 LEU A 752 5.249 20.317 21.331 1.00 41.91 C ATOM 1022 CD2 LEU A 752 3.004 19.260 20.963 1.00 56.76 C ATOM 1023 H LEU A 752 1.723 22.592 22.154 1.00 0.00 H ATOM 1024 N HIS A 753 1.349 21.824 25.318 1.00 43.24 N ATOM 1025 CA HIS A 753 0.976 21.906 26.729 1.00 54.19 C ATOM 1026 C HIS A 753 -0.279 21.099 27.005 1.00 65.36 C ATOM 1027 O HIS A 753 -0.347 20.357 27.988 1.00 63.09 O ATOM 1028 CB HIS A 753 0.718 23.351 27.156 1.00 47.75 C ATOM 1029 CG HIS A 753 0.345 23.491 28.599 1.00 67.28 C ATOM 1030 ND1 HIS A 753 1.270 23.448 29.620 1.00 74.15 N ATOM 1031 CD2 HIS A 753 -0.867 23.586 29.194 1.00 69.81 C ATOM 1032 CE1 HIS A 753 0.647 23.566 30.779 1.00 83.07 C ATOM 1033 NE2 HIS A 753 -0.651 23.645 30.549 1.00 80.05 N ATOM 1034 H HIS A 753 1.447 22.703 24.770 1.00 0.00 H ATOM 1035 N LYS A 754 -1.274 21.255 26.133 1.00 63.18 N ATOM 1036 CA LYS A 754 -2.540 20.554 26.307 1.00 73.20 C ATOM 1037 C LYS A 754 -2.444 19.079 26.018 1.00 65.08 C ATOM 1038 O LYS A 754 -3.086 18.268 26.682 1.00 79.21 O ATOM 1039 CB LYS A 754 -3.611 21.135 25.394 1.00 79.15 C ATOM 1040 CG LYS A 754 -4.958 20.441 25.562 1.00 83.30 C ATOM 1041 CD LYS A 754 -6.082 21.174 24.871 1.00 83.51 C ATOM 1042 CE LYS A 754 -5.864 22.678 24.912 1.00 91.71 C ATOM 1043 NZ LYS A 754 -5.621 23.189 26.304 1.00105.04 N ATOM 1044 HZ1 LYS A 754 -6.443 22.969 26.901 1.00 0.00 H ATOM 1045 HZ2 LYS A 754 -4.773 22.732 26.697 1.00 0.00 H ATOM 1046 HZ3 LYS A 754 -5.479 24.219 26.274 1.00 0.00 H ATOM 1047 H LYS A 754 -1.146 21.886 25.316 1.00 0.00 H ATOM 1048 N VAL A 755 -1.605 18.733 25.053 1.00 65.02 N ATOM 1049 CA VAL A 755 -1.371 17.339 24.730 1.00 83.05 C ATOM 1050 C VAL A 755 -0.838 16.630 25.958 1.00 80.53 C ATOM 1051 O VAL A 755 -1.335 15.570 26.339 1.00 80.48 O ATOM 1052 CB VAL A 755 -0.386 17.185 23.561 1.00 81.89 C ATOM 1053 CG1 VAL A 755 0.073 15.745 23.451 1.00 78.61 C ATOM 1054 CG2 VAL A 755 -1.029 17.653 22.260 1.00 68.79 C ATOM 1055 H VAL A 755 -1.106 19.473 24.519 1.00 0.00 H ATOM 1056 N LEU A 756 0.162 17.245 26.580 1.00 72.31 N ATOM 1057 CA LEU A 756 0.770 16.726 27.795 1.00 76.51 C ATOM 1058 C LEU A 756 -0.272 16.469 28.866 1.00 77.32 C ATOM 1059 O LEU A 756 -0.246 15.461 29.571 1.00 64.85 O ATOM 1060 CB LEU A 756 1.809 17.719 28.317 1.00 67.82 C ATOM 1061 CG LEU A 756 2.558 17.352 29.595 1.00 71.26 C ATOM 1062 CD1 LEU A 756 3.645 16.339 29.284 1.00 56.72 C ATOM 1063 CD2 LEU A 756 3.142 18.597 30.240 1.00 72.29 C ATOM 1064 H LEU A 756 0.525 18.134 26.182 1.00 0.00 H ATOM 1065 N LEU A 757 -1.194 17.405 28.978 1.00 77.88 N ATOM 1066 CA LEU A 757 -2.217 17.349 29.992 1.00 89.21 C ATOM 1067 C LEU A 757 -3.383 16.433 29.544 1.00 83.12 C ATOM 1068 O LEU A 757 -3.990 15.750 30.374 1.00 70.47 O ATOM 1069 CB LEU A 757 -2.591 18.790 30.348 1.00 86.37 C ATOM 1070 CG LEU A 757 -3.627 19.196 31.375 1.00 88.26 C ATOM 1071 CD1 LEU A 757 -3.172 20.373 32.286 1.00106.35 C ATOM 1072 CD2 LEU A 757 -4.649 19.655 30.419 1.00 96.15 C ATOM 1073 H LEU A 757 -1.183 18.207 28.316 1.00 0.00 H ATOM 1074 N GLU A 758 -3.651 16.373 28.237 1.00 83.66 N ATOM 1075 CA GLU A 758 -4.676 15.459 27.726 1.00 89.42 C ATOM 1076 C GLU A 758 -4.217 14.019 27.918 1.00 92.93 C ATOM 1077 O GLU A 758 -5.026 13.132 28.181 1.00 96.72 O ATOM 1078 CB GLU A 758 -4.980 15.696 26.234 1.00 90.77 C ATOM 1079 CG GLU A 758 -5.719 16.974 25.889 1.00 98.43 C ATOM 1080 CD GLU A 758 -5.956 17.138 24.393 1.00101.23 C ATOM 1081 OE1 GLU A 758 -4.987 16.994 23.619 1.00105.24 O ATOM 1082 OE2 GLU A 758 -7.115 17.378 23.992 1.00100.87 O ATOM 1083 H GLU A 758 -3.127 16.981 27.575 1.00 0.00 H ATOM 1084 N THR A 759 -2.912 13.799 27.795 1.00 91.05 N ATOM 1085 CA THR A 759 -2.328 12.470 27.948 1.00 85.12 C ATOM 1086 C THR A 759 -2.321 11.961 29.389 1.00 88.31 C ATOM 1087 O THR A 759 -2.663 10.810 29.654 1.00 95.14 O ATOM 1088 CB THR A 759 -0.879 12.447 27.426 1.00 76.76 C ATOM 1089 OG1 THR A 759 -0.870 12.752 26.027 1.00 72.29 O ATOM 1090 CG2 THR A 759 -0.253 11.080 27.643 1.00 76.32 C ATOM 1091 HG1 THR A 759 -1.258 13.651 25.884 1.00 0.00 H ATOM 1092 H THR A 759 -2.285 14.601 27.582 1.00 0.00 H ATOM 1093 N ARG A 760 -1.939 12.827 30.319 1.00 89.19 N ATOM 1094 CA ARG A 760 -1.871 12.468 31.732 1.00 95.22 C ATOM 1095 C ARG A 760 -3.225 12.076 32.335 1.00110.16 C ATOM 1096 O ARG A 760 -3.281 11.180 33.180 1.00107.90 O ATOM 1097 CB ARG A 760 -1.247 13.605 32.540 1.00101.80 C ATOM 1098 CG ARG A 760 -2.187 14.229 33.537 1.00112.34 C ATOM 1099 CD ARG A 760 -1.859 15.679 33.773 1.00116.48 C ATOM 1100 NE ARG A 760 -2.875 16.282 34.625 1.00125.00 N ATOM 1101 CZ ARG A 760 -4.065 16.668 34.182 1.00132.61 C ATOM 1102 NH1 ARG A 760 -4.357 16.530 32.900 1.00134.39 N ATOM 1103 NH2 ARG A 760 -4.952 17.200 35.012 1.00134.81 N ATOM 1104 HE ARG A 760 -2.657 16.417 35.633 1.00 0.00 H ATOM 1105 HH12 ARG A 760 -5.287 16.830 32.543 1.00 0.00 H ATOM 1106 HH11 ARG A 760 -3.657 16.122 32.248 1.00 0.00 H ATOM 1107 HH22 ARG A 760 -5.882 17.500 34.657 1.00 0.00 H ATOM 1108 HH21 ARG A 760 -4.717 17.317 36.018 1.00 0.00 H ATOM 1109 H ARG A 760 -1.680 13.792 30.032 1.00 0.00 H ATOM 1110 N ARG A 761 -4.312 12.718 31.901 1.00116.86 N ATOM 1111 CA ARG A 761 -5.613 12.378 32.470 1.00125.37 C ATOM 1112 C ARG A 761 -5.964 10.979 32.049 1.00120.93 C ATOM 1113 O ARG A 761 -6.608 10.234 32.791 1.00129.16 O ATOM 1114 CB ARG A 761 -6.727 13.300 31.977 1.00128.98 C ATOM 1115 CG ARG A 761 -6.688 14.714 32.430 1.00133.07 C ATOM 1116 CD ARG A 761 -7.904 15.449 31.917 1.00141.07 C ATOM 1117 NE ARG A 761 -7.836 16.858 32.307 1.00144.11 N ATOM 1118 CZ ARG A 761 -7.138 17.791 31.666 1.00141.12 C ATOM 1119 NH1 ARG A 761 -6.454 17.469 30.581 1.00142.41 N ATOM 1120 NH2 ARG A 761 -7.130 19.045 32.101 1.00138.28 N ATOM 1121 HE ARG A 761 -8.373 17.151 33.148 1.00 0.00 H ATOM 1122 HH12 ARG A 761 -5.907 18.195 30.077 1.00 0.00 H ATOM 1123 HH11 ARG A 761 -6.463 16.489 30.232 1.00 0.00 H ATOM 1124 HH22 ARG A 761 -6.581 19.768 31.593 1.00 0.00 H ATOM 1125 HH21 ARG A 761 -7.672 19.305 32.950 1.00 0.00 H ATOM 1126 H ARG A 761 -4.233 13.451 31.167 1.00 0.00 H ATOM 1127 N ASP A 762 -5.455 10.607 30.881 1.00115.04 N ATOM 1128 CA ASP A 762 -5.652 9.278 30.337 1.00114.16 C ATOM 1129 C ASP A 762 -4.831 8.280 31.135 1.00112.92 C ATOM 1130 O ASP A 762 -4.956 7.071 30.949 1.00109.58 O ATOM 1131 CB ASP A 762 -5.228 9.238 28.870 1.00115.00 C ATOM 1132 CG ASP A 762 -5.978 10.236 28.014 1.00113.89 C ATOM 1133 OD1 ASP A 762 -7.135 10.568 28.344 1.00112.99 O ATOM 1134 OD2 ASP A 762 -5.397 10.700 27.009 1.00113.59 O ATOM 1135 H ASP A 762 -4.895 11.294 30.337 1.00 0.00 H ATOM 1136 N LEU A 763 -3.990 8.812 32.018 1.00116.97 N ATOM 1137 CA LEU A 763 -3.161 8.022 32.918 1.00112.79 C ATOM 1138 C LEU A 763 -2.278 7.045 32.143 1.00114.15 C ATOM 1139 O LEU A 763 -1.752 7.378 31.079 1.00108.01 O ATOM 1140 CB LEU A 763 -4.041 7.290 33.929 1.00 97.67 C ATOM 1141 CG LEU A 763 -4.529 8.214 35.051 1.00 90.32 C ATOM 1142 CD1 LEU A 763 -5.425 7.470 36.028 1.00 90.82 C ATOM 1143 CD2 LEU A 763 -3.366 8.886 35.772 1.00 85.58 C ATOM 1144 H LEU A 763 -3.921 9.848 32.068 1.00 0.00 H TER 1145 LEU A 763 HETATM 1146 O HOH 1 9.924 38.407 24.327 1.00 71.49 O HETATM 1147 O HOH 2 12.734 36.735 19.744 1.00 59.95 O HETATM 1148 O HOH 3 8.472 25.798 15.202 1.00 54.81 O HETATM 1149 CAQ UNN A 4 15.606 30.906 18.284 1.00 -0.03 C HETATM 1150 CAR UNN A 4 15.987 31.550 16.961 1.00 -0.01 C HETATM 1151 CAS UNN A 4 15.214 32.840 16.780 1.00 -0.04 C HETATM 1152 CAT UNN A 4 13.751 32.483 16.799 1.00 -0.01 C HETATM 1153 CAU UNN A 4 13.390 31.819 18.139 1.00 -0.03 C HETATM 1154 NAP UNN A 4 14.167 30.585 18.367 1.00 0.24 N HETATM 1155 CAO UNN A 4 13.826 30.024 19.539 1.00 -0.00 C HETATM 1156 CAN UNN A 4 14.166 28.775 19.919 1.00 0.12 C HETATM 1157 CAM UNN A 4 15.329 28.061 19.767 1.00 -0.00 C HETATM 1158 CAL UNN A 4 14.684 26.727 19.793 1.00 0.04 C HETATM 1159 NAG UNN A 4 14.117 26.955 21.134 1.00 -0.26 N HETATM 1160 CAH UNN A 4 13.813 28.277 21.111 1.00 0.24 C HETATM 1161 NAI UNN A 4 13.119 28.798 22.195 1.00 -0.14 N HETATM 1162 CAJ UNN A 4 12.874 27.990 23.306 1.00 0.31 C HETATM 1163 OAK UNN A 4 12.325 28.470 24.291 1.00 -0.32 O HETATM 1164 CAE UNN A 4 13.223 26.647 23.267 1.00 0.13 C HETATM 1165 CAD UNN A 4 13.845 26.132 22.135 1.00 0.10 C HETATM 1166 CAC UNN A 4 14.197 24.777 22.102 1.00 0.00 C HETATM 1167 CAB UNN A 4 13.924 23.947 23.193 1.00 -0.02 C HETATM 1168 CAA UNN A 4 13.299 24.485 24.313 1.00 -0.03 C HETATM 1169 CAF UNN A 4 12.949 25.829 24.355 1.00 -0.01 C HETATM 1170 H23 UNN A 4 12.464 26.238 25.234 1.00 0.08 H HETATM 1171 H22 UNN A 4 13.082 23.848 25.163 1.00 0.09 H HETATM 1172 H21 UNN A 4 14.196 22.898 23.167 1.00 0.07 H HETATM 1173 H20 UNN A 4 14.685 24.369 21.224 1.00 0.09 H HETATM 1174 H19 UNN A 4 12.797 29.745 22.180 1.00 0.30 H HETATM 1175 H17 UNN A 4 15.400 25.892 19.755 1.00 0.05 H HETATM 1176 H18 UNN A 4 13.922 26.593 19.011 1.00 0.05 H HETATM 1177 H15 UNN A 4 16.033 28.211 20.599 1.00 0.03 H HETATM 1178 H16 UNN A 4 15.837 28.271 18.814 1.00 0.03 H HETATM 1179 H14 UNN A 4 13.501 28.244 19.222 1.00 0.07 H HETATM 1180 H12 UNN A 4 12.727 30.053 19.571 1.00 0.09 H HETATM 1181 H13 UNN A 4 14.234 30.689 20.314 1.00 0.09 H HETATM 1182 H11 UNN A 4 13.949 29.927 17.635 1.00 0.20 H HETATM 1183 H9 UNN A 4 12.319 31.569 18.135 1.00 0.08 H HETATM 1184 H10 UNN A 4 13.599 32.527 18.955 1.00 0.08 H HETATM 1185 H7 UNN A 4 13.535 31.785 15.977 1.00 0.03 H HETATM 1186 H8 UNN A 4 13.151 33.396 16.672 1.00 0.03 H HETATM 1187 H5 UNN A 4 15.477 33.306 15.819 1.00 0.03 H HETATM 1188 H6 UNN A 4 15.444 33.536 17.600 1.00 0.03 H HETATM 1189 H3 UNN A 4 15.748 30.862 16.137 1.00 0.03 H HETATM 1190 H4 UNN A 4 17.066 31.766 16.957 1.00 0.03 H HETATM 1191 H1 UNN A 4 15.860 31.600 19.099 1.00 0.08 H HETATM 1192 H2 UNN A 4 16.181 29.976 18.401 1.00 0.08 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 1149 1150 1154 1191 1192 CONECT 1150 1149 1151 1189 1190 CONECT 1151 1150 1152 1187 1188 CONECT 1152 1151 1153 1185 1186 CONECT 1153 1152 1154 1183 1184 CONECT 1154 1149 1153 1155 1182 CONECT 1155 1154 1156 1180 1181 CONECT 1156 1155 1157 1160 1179 CONECT 1157 1156 1158 1177 1178 CONECT 1158 1157 1159 1175 1176 CONECT 1159 1158 1160 1165 CONECT 1160 1156 1159 1161 CONECT 1161 1160 1162 1174 CONECT 1162 1161 1163 1164 CONECT 1163 1162 CONECT 1164 1162 1165 1169 CONECT 1165 1159 1164 1166 CONECT 1166 1165 1167 1173 CONECT 1167 1166 1168 1172 CONECT 1168 1167 1169 1171 CONECT 1169 1164 1168 1170 CONECT 1170 1169 CONECT 1171 1168 CONECT 1172 1167 CONECT 1173 1166 CONECT 1174 1161 CONECT 1175 1158 CONECT 1176 1158 CONECT 1177 1157 CONECT 1178 1157 CONECT 1179 1156 CONECT 1180 1155 CONECT 1181 1155 CONECT 1182 1154 CONECT 1183 1153 CONECT 1184 1153 CONECT 1185 1152 CONECT 1186 1152 CONECT 1187 1151 CONECT 1188 1151 CONECT 1189 1150 CONECT 1190 1150 CONECT 1191 1149 CONECT 1192 1149 MASTER 0 0 0 0 0 0 0 0 1191 1 48 9 END
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Related entries of code: 5fh6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
124aa, >5FH7_1|Chains... at 100%
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PDBbind
124aa, >5FH8_1|Chains... at 100%
5hrv
RCSB PDB
PDBbind
124aa, >5HRV_1|Chain... 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
5fh6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
fifth bromodomain of human PB1
Ligand Name
5XM
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=1.2uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 5095-5101
Ligand Properties
Formula
C
1
7
H
2
3
N
3
O
Molecular Weight
285.384
Exact Mass
285.184
No. of atoms
44
No. of bonds
47
Polar Surface Area
42.23
LOGP Value
1.52 (
Computed with XLOGP3
)
2.74 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
O=c1[nH]c2[C@H](CCn2c2c1cccc2)C[NH+]1CCCCC1
InChI String
InChI=1S/C17H22N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,13H,1,4-5,8-12H2,(H,18,21)/p+1/t13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q86U86
Entrez Gene ID
NCBI Entrez Gene ID:
55193
ASD
Information of known allosteric effects of PDB entries
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