Browse entries in the PDBbind-CN Database
HEADER 5FE9_COMPLEX COMPND 5FE9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 ARG ASP PRO ASP GLN LEU TYR SER THR LEU LYS SER ILE SEQRES 2 A 109 LEU GLN GLN VAL LYS SER HIS GLN SER ALA TRP PRO PHE SEQRES 3 A 109 MET GLU PRO VAL LYS ARG THR GLU ALA PRO GLY TYR TYR SEQRES 4 A 109 GLU VAL ILE ARG PHE PRO MET ASP LEU LYS THR MET SER SEQRES 5 A 109 GLU ARG LEU LYS ASN ARG TYR TYR VAL SER LYS LYS LEU SEQRES 6 A 109 PHE MET ALA ASP LEU GLN ARG VAL PHE THR ASN CYS LYS SEQRES 7 A 109 GLU TYR ASN PRO PRO GLU SER GLU TYR TYR LYS CYS ALA SEQRES 8 A 109 ASN ILE LEU GLU LYS PHE PHE PHE SER LYS ILE LYS GLU SEQRES 9 A 109 ALA GLY LEU ILE ASP HET UNN A 168 32 ATOM 1 N ARG A 723 23.401 31.053 92.433 1.00127.17 N ATOM 2 CA ARG A 723 21.991 31.514 92.327 1.00119.28 C ATOM 3 C ARG A 723 21.594 32.073 90.929 1.00118.95 C ATOM 4 O ARG A 723 20.480 32.561 90.796 1.00116.83 O ATOM 5 CB ARG A 723 21.689 32.545 93.434 1.00118.60 C ATOM 6 HN3 ARG A 723 24.040 31.849 92.233 1.00 0.00 H ATOM 7 HN2 ARG A 723 23.568 30.291 91.745 1.00 0.00 H ATOM 8 HN1 ARG A 723 23.577 30.698 93.395 1.00 0.00 H ATOM 9 N ASP A 724 22.451 31.980 89.889 1.00124.14 N ATOM 10 CA ASP A 724 22.088 32.475 88.515 1.00123.67 C ATOM 11 C ASP A 724 21.090 31.532 87.768 1.00118.27 C ATOM 12 O ASP A 724 20.096 32.010 87.191 1.00113.79 O ATOM 13 CB ASP A 724 23.351 32.746 87.664 1.00132.06 C ATOM 14 H ASP A 724 23.388 31.555 90.042 1.00 0.00 H ATOM 15 N PRO A 725 21.362 30.199 87.766 1.00118.83 N ATOM 16 CA PRO A 725 20.336 29.193 87.390 1.00112.81 C ATOM 17 C PRO A 725 19.248 28.941 88.467 1.00103.04 C ATOM 18 O PRO A 725 18.142 28.496 88.124 1.00 98.33 O ATOM 19 CB PRO A 725 21.158 27.905 87.156 1.00119.37 C ATOM 20 CG PRO A 725 22.583 28.337 87.062 1.00128.72 C ATOM 21 CD PRO A 725 22.700 29.581 87.891 1.00126.95 C ATOM 22 N ASP A 726 19.566 29.204 89.741 1.00 99.43 N ATOM 23 CA ASP A 726 18.609 29.018 90.836 1.00 91.58 C ATOM 24 C ASP A 726 17.666 30.194 91.049 1.00 86.99 C ATOM 25 O ASP A 726 16.619 30.018 91.647 1.00 83.13 O ATOM 26 CB ASP A 726 19.320 28.674 92.144 1.00 93.64 C ATOM 27 CG ASP A 726 19.132 27.219 92.549 1.00 93.27 C ATOM 28 OD1 ASP A 726 18.382 26.473 91.892 1.00 89.03 O ATOM 29 OD2 ASP A 726 19.754 26.818 93.546 1.00 97.87 O ATOM 30 H ASP A 726 20.522 29.551 89.960 1.00 0.00 H ATOM 31 N GLN A 727 18.028 31.382 90.572 1.00 88.66 N ATOM 32 CA GLN A 727 17.082 32.509 90.514 1.00 87.78 C ATOM 33 C GLN A 727 16.000 32.226 89.464 1.00 84.05 C ATOM 34 O GLN A 727 14.829 32.486 89.701 1.00 82.87 O ATOM 35 CB GLN A 727 17.812 33.836 90.235 1.00 93.68 C ATOM 36 CG GLN A 727 16.941 35.080 89.998 1.00 96.95 C ATOM 37 CD GLN A 727 15.948 35.411 91.121 1.00 97.43 C ATOM 38 OE1 GLN A 727 15.011 34.653 91.389 1.00 93.72 O ATOM 39 NE2 GLN A 727 16.120 36.584 91.739 1.00103.04 N ATOM 40 HE22 GLN A 727 16.923 37.194 91.484 1.00 0.00 H ATOM 41 HE21 GLN A 727 15.451 36.887 92.475 1.00 0.00 H ATOM 42 H GLN A 727 19.002 31.518 90.232 1.00 0.00 H ATOM 43 N LEU A 728 16.397 31.669 88.325 1.00 83.79 N ATOM 44 CA LEU A 728 15.439 31.266 87.286 1.00 82.93 C ATOM 45 C LEU A 728 14.441 30.225 87.823 1.00 78.93 C ATOM 46 O LEU A 728 13.230 30.408 87.748 1.00 77.56 O ATOM 47 CB LEU A 728 16.187 30.716 86.061 1.00 85.96 C ATOM 48 CG LEU A 728 15.361 30.262 84.842 1.00 87.22 C ATOM 49 CD1 LEU A 728 14.697 31.446 84.157 1.00 90.35 C ATOM 50 CD2 LEU A 728 16.208 29.473 83.851 1.00 91.97 C ATOM 51 H LEU A 728 17.413 31.514 88.164 1.00 0.00 H ATOM 52 N TYR A 729 14.977 29.149 88.376 1.00 55.50 N ATOM 53 CA TYR A 729 14.192 28.093 89.029 1.00 56.08 C ATOM 54 C TYR A 729 13.170 28.625 90.029 1.00 56.35 C ATOM 55 O TYR A 729 11.997 28.234 89.988 1.00 54.44 O ATOM 56 CB TYR A 729 15.129 27.127 89.765 1.00 58.82 C ATOM 57 CG TYR A 729 14.438 25.913 90.360 1.00 59.45 C ATOM 58 CD1 TYR A 729 14.093 24.835 89.559 1.00 58.42 C ATOM 59 CD2 TYR A 729 14.127 25.847 91.723 1.00 61.44 C ATOM 60 CE1 TYR A 729 13.468 23.717 90.076 1.00 58.72 C ATOM 61 CE2 TYR A 729 13.490 24.731 92.252 1.00 61.50 C ATOM 62 CZ TYR A 729 13.171 23.664 91.415 1.00 60.42 C ATOM 63 OH TYR A 729 12.525 22.544 91.880 1.00 61.49 O ATOM 64 HH TYR A 729 12.392 21.907 91.134 1.00 0.00 H ATOM 65 H TYR A 729 16.011 29.045 88.347 1.00 0.00 H ATOM 66 N SER A 730 13.626 29.495 90.931 1.00 59.28 N ATOM 67 CA SER A 730 12.758 30.104 91.948 1.00 61.11 C ATOM 68 C SER A 730 11.638 30.911 91.335 1.00 59.75 C ATOM 69 O SER A 730 10.503 30.822 91.787 1.00 59.65 O ATOM 70 CB SER A 730 13.557 31.012 92.881 1.00 64.02 C ATOM 71 OG SER A 730 14.534 30.250 93.565 1.00 66.57 O ATOM 72 HG SER A 730 15.146 29.833 92.908 1.00 0.00 H ATOM 73 H SER A 730 14.634 29.752 90.914 1.00 0.00 H ATOM 74 N THR A 731 11.978 31.720 90.330 1.00 59.70 N ATOM 75 CA THR A 731 11.012 32.590 89.638 1.00 58.31 C ATOM 76 C THR A 731 9.982 31.755 88.924 1.00 54.62 C ATOM 77 O THR A 731 8.802 32.040 89.015 1.00 54.39 O ATOM 78 CB THR A 731 11.702 33.504 88.615 1.00 59.35 C ATOM 79 OG1 THR A 731 12.713 34.253 89.270 1.00 63.37 O ATOM 80 CG2 THR A 731 10.715 34.466 87.970 1.00 58.90 C ATOM 81 HG1 THR A 731 13.377 33.634 89.666 1.00 0.00 H ATOM 82 H THR A 731 12.971 31.737 90.021 1.00 0.00 H ATOM 83 N LEU A 732 10.433 30.699 88.256 1.00 52.96 N ATOM 84 CA LEU A 732 9.541 29.796 87.532 1.00 51.73 C ATOM 85 C LEU A 732 8.651 28.969 88.449 1.00 52.79 C ATOM 86 O LEU A 732 7.454 28.803 88.184 1.00 51.37 O ATOM 87 CB LEU A 732 10.337 28.861 86.633 1.00 50.86 C ATOM 88 CG LEU A 732 11.145 29.495 85.501 1.00 51.37 C ATOM 89 CD1 LEU A 732 11.709 28.395 84.615 1.00 51.57 C ATOM 90 CD2 LEU A 732 10.322 30.452 84.668 1.00 50.28 C ATOM 91 H LEU A 732 11.455 30.509 88.248 1.00 0.00 H ATOM 92 N LYS A 733 9.225 28.466 89.533 1.00 54.85 N ATOM 93 CA LYS A 733 8.463 27.719 90.517 1.00 56.56 C ATOM 94 C LYS A 733 7.366 28.577 91.132 1.00 55.25 C ATOM 95 O LYS A 733 6.234 28.106 91.324 1.00 54.98 O ATOM 96 CB LYS A 733 9.392 27.195 91.612 1.00 62.03 C ATOM 97 CG LYS A 733 8.658 26.435 92.690 1.00 66.88 C ATOM 98 CD LYS A 733 9.609 25.650 93.579 1.00 72.02 C ATOM 99 CE LYS A 733 8.827 25.054 94.752 1.00 76.32 C ATOM 100 NZ LYS A 733 9.450 23.812 95.274 1.00 78.93 N ATOM 101 HZ1 LYS A 733 9.487 23.100 94.517 1.00 0.00 H ATOM 102 HZ2 LYS A 733 10.414 24.021 95.603 1.00 0.00 H ATOM 103 HZ3 LYS A 733 8.883 23.448 96.066 1.00 0.00 H ATOM 104 H LYS A 733 10.244 28.610 89.682 1.00 0.00 H ATOM 105 N SER A 734 7.707 29.829 91.435 1.00 54.74 N ATOM 106 CA SER A 734 6.731 30.804 91.932 1.00 55.46 C ATOM 107 C SER A 734 5.642 31.005 90.884 1.00 53.66 C ATOM 108 O SER A 734 4.468 30.807 91.165 1.00 53.67 O ATOM 109 CB SER A 734 7.409 32.140 92.266 1.00 57.31 C ATOM 110 OG SER A 734 6.469 33.194 92.398 1.00 58.02 O ATOM 111 HG SER A 734 6.946 34.035 92.613 1.00 0.00 H ATOM 112 H SER A 734 8.697 30.124 91.315 1.00 0.00 H ATOM 113 N ILE A 735 6.037 31.351 89.663 1.00 52.46 N ATOM 114 CA ILE A 735 5.052 31.590 88.596 1.00 50.67 C ATOM 115 C ILE A 735 4.168 30.354 88.368 1.00 47.82 C ATOM 116 O ILE A 735 2.967 30.476 88.316 1.00 48.39 O ATOM 117 CB ILE A 735 5.716 32.038 87.264 1.00 50.47 C ATOM 118 CG1 ILE A 735 6.317 33.447 87.395 1.00 52.65 C ATOM 119 CG2 ILE A 735 4.705 32.030 86.106 1.00 49.00 C ATOM 120 CD1 ILE A 735 7.377 33.732 86.350 1.00 53.14 C ATOM 121 H ILE A 735 7.052 31.454 89.460 1.00 0.00 H ATOM 122 N LEU A 736 4.758 29.180 88.255 1.00 47.61 N ATOM 123 CA LEU A 736 3.979 27.960 88.005 1.00 46.50 C ATOM 124 C LEU A 736 3.023 27.632 89.140 1.00 48.70 C ATOM 125 O LEU A 736 1.891 27.235 88.911 1.00 47.75 O ATOM 126 CB LEU A 736 4.883 26.769 87.770 1.00 45.66 C ATOM 127 CG LEU A 736 4.194 25.473 87.311 1.00 45.36 C ATOM 128 CD1 LEU A 736 3.309 25.680 86.082 1.00 43.53 C ATOM 129 CD2 LEU A 736 5.245 24.398 87.019 1.00 45.60 C ATOM 130 H LEU A 736 5.792 29.117 88.344 1.00 0.00 H ATOM 131 N GLN A 737 3.469 27.822 90.368 1.00 52.19 N ATOM 132 CA GLN A 737 2.613 27.589 91.518 1.00 56.86 C ATOM 133 C GLN A 737 1.420 28.500 91.527 1.00 56.58 C ATOM 134 O GLN A 737 0.316 28.063 91.817 1.00 58.57 O ATOM 135 CB GLN A 737 3.432 27.796 92.784 1.00 62.09 C ATOM 136 CG GLN A 737 2.689 27.691 94.106 1.00 67.78 C ATOM 137 CD GLN A 737 1.699 26.542 94.171 1.00 71.06 C ATOM 138 OE1 GLN A 737 0.461 26.737 94.250 1.00 73.56 O ATOM 139 NE2 GLN A 737 2.230 25.333 94.122 1.00 72.45 N ATOM 140 HE22 GLN A 737 3.262 25.220 94.057 1.00 0.00 H ATOM 141 HE21 GLN A 737 1.616 24.494 94.149 1.00 0.00 H ATOM 142 H GLN A 737 4.447 28.143 90.514 1.00 0.00 H ATOM 143 N GLN A 738 1.634 29.768 91.209 1.00 56.62 N ATOM 144 CA GLN A 738 0.546 30.731 91.187 1.00 56.85 C ATOM 145 C GLN A 738 -0.456 30.381 90.099 1.00 55.24 C ATOM 146 O GLN A 738 -1.670 30.424 90.311 1.00 56.24 O ATOM 147 CB GLN A 738 1.099 32.123 90.961 1.00 59.51 C ATOM 148 CG GLN A 738 1.853 32.643 92.163 1.00 63.45 C ATOM 149 CD GLN A 738 2.276 34.098 91.962 1.00 66.05 C ATOM 150 OE1 GLN A 738 1.428 34.999 91.863 1.00 67.08 O ATOM 151 NE2 GLN A 738 3.585 34.331 91.862 1.00 67.22 N ATOM 152 HE22 GLN A 738 4.261 33.546 91.951 1.00 0.00 H ATOM 153 HE21 GLN A 738 3.930 35.298 91.695 1.00 0.00 H ATOM 154 H GLN A 738 2.597 30.080 90.971 1.00 0.00 H ATOM 155 N VAL A 739 0.059 30.002 88.940 1.00 51.45 N ATOM 156 CA VAL A 739 -0.791 29.573 87.840 1.00 49.88 C ATOM 157 C VAL A 739 -1.620 28.344 88.268 1.00 48.27 C ATOM 158 O VAL A 739 -2.823 28.298 88.031 1.00 46.48 O ATOM 159 CB VAL A 739 0.042 29.290 86.549 1.00 48.30 C ATOM 160 CG1 VAL A 739 -0.806 28.620 85.496 1.00 47.59 C ATOM 161 CG2 VAL A 739 0.620 30.594 85.985 1.00 48.44 C ATOM 162 H VAL A 739 1.091 30.011 88.813 1.00 0.00 H ATOM 163 N LYS A 740 -0.960 27.379 88.900 1.00 48.65 N ATOM 164 CA LYS A 740 -1.636 26.166 89.414 1.00 50.04 C ATOM 165 C LYS A 740 -2.678 26.400 90.495 1.00 51.35 C ATOM 166 O LYS A 740 -3.625 25.634 90.560 1.00 52.95 O ATOM 167 CB LYS A 740 -0.629 25.146 89.913 1.00 50.90 C ATOM 168 CG LYS A 740 0.035 24.400 88.768 1.00 50.77 C ATOM 169 CD LYS A 740 1.308 23.723 89.191 1.00 51.52 C ATOM 170 CE LYS A 740 1.063 22.340 89.751 1.00 53.94 C ATOM 171 NZ LYS A 740 2.152 22.043 90.736 1.00 57.07 N ATOM 172 HZ1 LYS A 740 3.073 22.079 90.254 1.00 0.00 H ATOM 173 HZ2 LYS A 740 2.130 22.750 91.498 1.00 0.00 H ATOM 174 HZ3 LYS A 740 2.006 21.094 91.137 1.00 0.00 H ATOM 175 H LYS A 740 0.066 27.479 89.038 1.00 0.00 H ATOM 176 N SER A 741 -2.505 27.446 91.317 1.00 51.85 N ATOM 177 CA SER A 741 -3.468 27.802 92.381 1.00 54.19 C ATOM 178 C SER A 741 -4.687 28.605 91.897 1.00 53.60 C ATOM 179 O SER A 741 -5.662 28.759 92.636 1.00 53.96 O ATOM 180 CB SER A 741 -2.775 28.630 93.473 1.00 56.03 C ATOM 181 OG SER A 741 -1.707 27.905 94.050 1.00 57.90 O ATOM 182 HG SER A 741 -1.045 27.682 93.349 1.00 0.00 H ATOM 183 H SER A 741 -1.655 28.033 91.201 1.00 0.00 H ATOM 184 N HIS A 742 -4.597 29.143 90.682 1.00 50.28 N ATOM 185 CA HIS A 742 -5.648 29.980 90.105 1.00 49.74 C ATOM 186 C HIS A 742 -6.949 29.167 89.911 1.00 49.70 C ATOM 187 O HIS A 742 -6.891 28.003 89.545 1.00 48.64 O ATOM 188 CB HIS A 742 -5.126 30.574 88.770 1.00 46.67 C ATOM 189 CG HIS A 742 -5.875 31.771 88.301 1.00 46.86 C ATOM 190 ND1 HIS A 742 -7.026 31.670 87.566 1.00 46.37 N ATOM 191 CD2 HIS A 742 -5.607 33.094 88.399 1.00 47.36 C ATOM 192 CE1 HIS A 742 -7.491 32.873 87.313 1.00 47.04 C ATOM 193 NE2 HIS A 742 -6.645 33.757 87.805 1.00 47.08 N ATOM 194 H HIS A 742 -3.742 28.960 90.119 1.00 0.00 H ATOM 195 N GLN A 743 -8.094 29.784 90.193 1.00 51.68 N ATOM 196 CA GLN A 743 -9.428 29.184 89.981 1.00 53.94 C ATOM 197 C GLN A 743 -9.644 28.572 88.586 1.00 51.61 C ATOM 198 O GLN A 743 -10.376 27.614 88.439 1.00 51.78 O ATOM 199 CB GLN A 743 -10.528 30.251 90.155 1.00 58.26 C ATOM 200 CG GLN A 743 -10.792 30.712 91.575 1.00 64.08 C ATOM 201 CD GLN A 743 -11.984 31.666 91.664 1.00 69.54 C ATOM 202 OE1 GLN A 743 -12.940 31.474 92.469 1.00 74.22 O ATOM 203 NE2 GLN A 743 -11.960 32.684 90.814 1.00 69.87 N ATOM 204 HE22 GLN A 743 -11.153 32.804 90.169 1.00 0.00 H ATOM 205 HE21 GLN A 743 -12.748 33.362 90.793 1.00 0.00 H ATOM 206 H GLN A 743 -8.047 30.746 90.586 1.00 0.00 H ATOM 207 N SER A 744 -9.099 29.216 87.557 1.00 48.62 N ATOM 208 CA SER A 744 -9.296 28.805 86.172 1.00 46.62 C ATOM 209 C SER A 744 -8.288 27.732 85.673 1.00 44.59 C ATOM 210 O SER A 744 -8.345 27.318 84.509 1.00 43.52 O ATOM 211 CB SER A 744 -9.268 30.040 85.256 1.00 46.30 C ATOM 212 OG SER A 744 -10.356 30.908 85.571 1.00 48.10 O ATOM 213 HG SER A 744 -10.281 31.200 86.514 1.00 0.00 H ATOM 214 H SER A 744 -8.507 30.049 87.749 1.00 0.00 H ATOM 215 N ALA A 745 -7.404 27.267 86.546 1.00 42.99 N ATOM 216 CA ALA A 745 -6.412 26.248 86.170 1.00 41.49 C ATOM 217 C ALA A 745 -6.942 24.831 86.172 1.00 41.94 C ATOM 218 O ALA A 745 -6.293 23.981 85.665 1.00 39.74 O ATOM 219 CB ALA A 745 -5.194 26.346 87.071 1.00 41.04 C ATOM 220 H ALA A 745 -7.413 27.632 87.520 1.00 0.00 H ATOM 221 N TRP A 746 -8.134 24.591 86.712 1.00 44.58 N ATOM 222 CA TRP A 746 -8.612 23.203 86.945 1.00 46.58 C ATOM 223 C TRP A 746 -8.678 22.320 85.685 1.00 46.13 C ATOM 224 O TRP A 746 -8.391 21.160 85.759 1.00 46.68 O ATOM 225 CB TRP A 746 -9.943 23.190 87.725 1.00 49.71 C ATOM 226 CG TRP A 746 -11.092 23.829 86.971 1.00 50.66 C ATOM 227 CD1 TRP A 746 -11.504 25.126 87.052 1.00 50.57 C ATOM 228 CD2 TRP A 746 -11.924 23.206 86.005 1.00 51.21 C ATOM 229 NE1 TRP A 746 -12.542 25.346 86.201 1.00 51.46 N ATOM 230 CE2 TRP A 746 -12.815 24.182 85.533 1.00 52.12 C ATOM 231 CE3 TRP A 746 -11.984 21.923 85.465 1.00 51.94 C ATOM 232 CZ2 TRP A 746 -13.770 23.907 84.555 1.00 52.99 C ATOM 233 CZ3 TRP A 746 -12.920 21.653 84.498 1.00 52.76 C ATOM 234 CH2 TRP A 746 -13.817 22.629 84.066 1.00 53.64 C ATOM 235 HE1 TRP A 746 -13.045 26.248 86.078 1.00 0.00 H ATOM 236 H TRP A 746 -8.744 25.391 86.976 1.00 0.00 H ATOM 237 N PRO A 747 -8.982 22.887 84.500 1.00 46.03 N ATOM 238 CA PRO A 747 -8.913 21.995 83.322 1.00 46.02 C ATOM 239 C PRO A 747 -7.517 21.542 82.908 1.00 44.83 C ATOM 240 O PRO A 747 -7.392 20.604 82.119 1.00 45.54 O ATOM 241 CB PRO A 747 -9.462 22.875 82.186 1.00 45.29 C ATOM 242 CG PRO A 747 -10.129 24.017 82.853 1.00 45.33 C ATOM 243 CD PRO A 747 -9.348 24.259 84.091 1.00 45.01 C ATOM 244 N PHE A 748 -6.481 22.216 83.399 1.00 43.45 N ATOM 245 CA PHE A 748 -5.145 22.033 82.881 1.00 43.34 C ATOM 246 C PHE A 748 -4.177 21.374 83.865 1.00 44.56 C ATOM 247 O PHE A 748 -2.971 21.411 83.625 1.00 44.73 O ATOM 248 CB PHE A 748 -4.593 23.410 82.460 1.00 41.59 C ATOM 249 CG PHE A 748 -5.547 24.200 81.613 1.00 40.77 C ATOM 250 CD1 PHE A 748 -5.882 23.752 80.351 1.00 40.94 C ATOM 251 CD2 PHE A 748 -6.154 25.347 82.100 1.00 40.32 C ATOM 252 CE1 PHE A 748 -6.790 24.430 79.583 1.00 40.80 C ATOM 253 CE2 PHE A 748 -7.060 26.042 81.333 1.00 41.08 C ATOM 254 CZ PHE A 748 -7.379 25.586 80.067 1.00 41.38 C ATOM 255 H PHE A 748 -6.636 22.891 84.175 1.00 0.00 H ATOM 256 N MET A 749 -4.691 20.793 84.946 1.00 47.68 N ATOM 257 CA MET A 749 -3.853 20.282 86.048 1.00 50.96 C ATOM 258 C MET A 749 -3.219 18.926 85.752 1.00 51.22 C ATOM 259 O MET A 749 -2.146 18.645 86.245 1.00 51.22 O ATOM 260 CB MET A 749 -4.652 20.173 87.353 1.00 54.52 C ATOM 261 CG MET A 749 -5.160 21.502 87.889 1.00 55.07 C ATOM 262 SD MET A 749 -3.802 22.546 88.449 1.00 55.05 S ATOM 263 CE MET A 749 -3.361 21.673 89.924 1.00 57.52 C ATOM 264 H MET A 749 -5.724 20.695 85.017 1.00 0.00 H ATOM 265 N GLU A 750 -3.847 18.124 84.900 1.00 53.34 N ATOM 266 CA GLU A 750 -3.242 16.864 84.462 1.00 55.86 C ATOM 267 C GLU A 750 -3.497 16.590 82.964 1.00 54.78 C ATOM 268 O GLU A 750 -4.311 17.262 82.360 1.00 53.92 O ATOM 269 CB GLU A 750 -3.659 15.690 85.382 1.00 60.24 C ATOM 270 CG GLU A 750 -5.084 15.190 85.306 1.00 64.46 C ATOM 271 CD GLU A 750 -5.242 13.929 86.157 1.00 69.81 C ATOM 272 OE1 GLU A 750 -6.200 13.847 86.951 1.00 76.84 O ATOM 273 OE2 GLU A 750 -4.379 13.030 86.064 1.00 70.39 O ATOM 274 H GLU A 750 -4.784 18.395 84.538 1.00 0.00 H ATOM 275 N PRO A 751 -2.735 15.646 82.350 1.00 56.87 N ATOM 276 CA PRO A 751 -2.923 15.283 80.929 1.00 57.96 C ATOM 277 C PRO A 751 -4.370 14.970 80.543 1.00 60.71 C ATOM 278 O PRO A 751 -5.087 14.327 81.317 1.00 63.39 O ATOM 279 CB PRO A 751 -2.074 14.023 80.780 1.00 58.98 C ATOM 280 CG PRO A 751 -0.979 14.188 81.771 1.00 57.95 C ATOM 281 CD PRO A 751 -1.574 14.930 82.934 1.00 57.28 C ATOM 282 N VAL A 752 -4.783 15.429 79.358 1.00 62.13 N ATOM 283 CA VAL A 752 -6.098 15.080 78.804 1.00 67.02 C ATOM 284 C VAL A 752 -6.189 13.565 78.679 1.00 72.33 C ATOM 285 O VAL A 752 -5.258 12.932 78.183 1.00 73.14 O ATOM 286 CB VAL A 752 -6.373 15.743 77.414 1.00 66.10 C ATOM 287 CG1 VAL A 752 -7.704 15.262 76.824 1.00 69.20 C ATOM 288 CG2 VAL A 752 -6.396 17.255 77.543 1.00 62.70 C ATOM 289 H VAL A 752 -4.155 16.052 78.812 1.00 0.00 H ATOM 290 N LYS A 753 -7.302 12.989 79.134 1.00 78.74 N ATOM 291 CA LYS A 753 -7.515 11.546 79.011 1.00 85.85 C ATOM 292 C LYS A 753 -8.206 11.246 77.679 1.00 89.43 C ATOM 293 O LYS A 753 -9.196 11.914 77.316 1.00 88.21 O ATOM 294 CB LYS A 753 -8.357 11.025 80.159 1.00 90.94 C ATOM 295 CG LYS A 753 -7.884 11.454 81.540 1.00 92.84 C ATOM 296 CD LYS A 753 -8.822 10.954 82.637 1.00 98.88 C ATOM 297 CE LYS A 753 -8.137 11.107 84.025 1.00101.32 C ATOM 298 NZ LYS A 753 -8.402 12.454 84.579 1.00100.36 N ATOM 299 HZ1 LYS A 753 -8.025 13.174 83.931 1.00 0.00 H ATOM 300 HZ2 LYS A 753 -9.428 12.587 84.688 1.00 0.00 H ATOM 301 HZ3 LYS A 753 -7.939 12.543 85.506 1.00 0.00 H ATOM 302 H LYS A 753 -8.033 13.576 79.585 1.00 0.00 H ATOM 303 N ARG A 754 -7.675 10.254 76.954 1.00 93.48 N ATOM 304 CA ARG A 754 -8.260 9.775 75.689 1.00 98.04 C ATOM 305 C ARG A 754 -9.740 9.428 75.814 1.00100.76 C ATOM 306 O ARG A 754 -10.549 9.737 74.924 1.00101.32 O ATOM 307 CB ARG A 754 -7.519 8.519 75.228 1.00102.26 C ATOM 308 CG ARG A 754 -6.071 8.755 74.821 1.00101.20 C ATOM 309 CD ARG A 754 -5.740 7.951 73.583 1.00105.02 C ATOM 310 NE ARG A 754 -4.370 8.216 73.127 1.00105.93 N ATOM 311 CZ ARG A 754 -3.962 8.217 71.849 1.00107.10 C ATOM 312 NH1 ARG A 754 -2.689 8.492 71.569 1.00105.63 N ATOM 313 NH2 ARG A 754 -4.807 7.960 70.846 1.00109.00 N ATOM 314 HE ARG A 754 -3.656 8.420 73.855 1.00 0.00 H ATOM 315 HH12 ARG A 754 -2.363 8.495 70.581 1.00 0.00 H ATOM 316 HH11 ARG A 754 -2.021 8.703 72.338 1.00 0.00 H ATOM 317 HH22 ARG A 754 -4.466 7.967 69.864 1.00 0.00 H ATOM 318 HH21 ARG A 754 -5.806 7.753 71.048 1.00 0.00 H ATOM 319 H ARG A 754 -6.807 9.799 77.301 1.00 0.00 H ATOM 320 N THR A 755 -10.084 8.789 76.926 1.00102.69 N ATOM 321 CA THR A 755 -11.458 8.398 77.203 1.00106.29 C ATOM 322 C THR A 755 -12.366 9.622 77.280 1.00105.49 C ATOM 323 O THR A 755 -13.475 9.599 76.763 1.00110.19 O ATOM 324 CB THR A 755 -11.569 7.598 78.516 1.00107.66 C ATOM 325 OG1 THR A 755 -11.084 8.387 79.615 1.00104.21 O ATOM 326 CG2 THR A 755 -10.765 6.309 78.423 1.00110.06 C ATOM 327 HG1 THR A 755 -11.159 7.865 80.453 1.00 0.00 H ATOM 328 H THR A 755 -9.346 8.560 77.623 1.00 0.00 H ATOM 329 N GLU A 756 -11.875 10.698 77.888 1.00101.86 N ATOM 330 CA GLU A 756 -12.667 11.926 78.066 1.00 99.32 C ATOM 331 C GLU A 756 -12.666 12.878 76.849 1.00 97.89 C ATOM 332 O GLU A 756 -13.422 13.852 76.848 1.00 95.51 O ATOM 333 CB GLU A 756 -12.208 12.665 79.336 1.00 95.64 C ATOM 334 CG GLU A 756 -12.178 11.772 80.588 1.00 96.34 C ATOM 335 CD GLU A 756 -12.458 12.512 81.891 1.00 94.78 C ATOM 336 OE1 GLU A 756 -13.129 11.928 82.786 1.00 97.19 O ATOM 337 OE2 GLU A 756 -12.006 13.663 82.031 1.00 88.50 O ATOM 338 H GLU A 756 -10.900 10.671 78.249 1.00 0.00 H ATOM 339 N ALA A 757 -11.832 12.627 75.828 1.00 99.59 N ATOM 340 CA ALA A 757 -11.806 13.527 74.633 1.00 98.54 C ATOM 341 C ALA A 757 -11.531 12.877 73.287 1.00101.05 C ATOM 342 O ALA A 757 -10.362 12.758 72.902 1.00101.50 O ATOM 343 CB ALA A 757 -10.809 14.653 74.853 1.00 94.02 C ATOM 344 H ALA A 757 -11.200 11.802 75.868 1.00 0.00 H ATOM 345 N PRO A 758 -12.601 12.555 72.519 1.00103.90 N ATOM 346 CA PRO A 758 -12.360 11.757 71.323 1.00106.39 C ATOM 347 C PRO A 758 -11.558 12.499 70.256 1.00103.66 C ATOM 348 O PRO A 758 -11.670 13.738 70.097 1.00 99.58 O ATOM 349 CB PRO A 758 -13.776 11.416 70.817 1.00111.03 C ATOM 350 CG PRO A 758 -14.679 11.682 71.977 1.00111.31 C ATOM 351 CD PRO A 758 -14.040 12.827 72.700 1.00105.99 C ATOM 352 N GLY A 759 -10.681 11.756 69.586 1.00102.91 N ATOM 353 CA GLY A 759 -9.879 12.331 68.537 1.00 98.56 C ATOM 354 C GLY A 759 -8.965 13.454 68.996 1.00 92.33 C ATOM 355 O GLY A 759 -8.402 14.136 68.150 1.00 91.62 O ATOM 356 H GLY A 759 -10.573 10.749 69.822 1.00 0.00 H ATOM 357 N TYR A 760 -8.791 13.640 70.317 1.00 86.40 N ATOM 358 CA TYR A 760 -7.964 14.745 70.826 1.00 79.07 C ATOM 359 C TYR A 760 -6.516 14.584 70.373 1.00 77.56 C ATOM 360 O TYR A 760 -5.899 15.537 69.912 1.00 76.12 O ATOM 361 CB TYR A 760 -8.004 14.835 72.362 1.00 74.98 C ATOM 362 CG TYR A 760 -7.212 16.006 72.947 1.00 69.91 C ATOM 363 CD1 TYR A 760 -5.848 15.892 73.235 1.00 66.45 C ATOM 364 CD2 TYR A 760 -7.837 17.227 73.234 1.00 67.03 C ATOM 365 CE1 TYR A 760 -5.139 16.958 73.784 1.00 61.57 C ATOM 366 CE2 TYR A 760 -7.130 18.299 73.779 1.00 61.43 C ATOM 367 CZ TYR A 760 -5.789 18.168 74.064 1.00 59.41 C ATOM 368 OH TYR A 760 -5.093 19.244 74.596 1.00 54.11 O ATOM 369 HH TYR A 760 -5.501 19.505 75.459 1.00 0.00 H ATOM 370 H TYR A 760 -9.249 12.992 70.989 1.00 0.00 H ATOM 371 N TYR A 761 -5.992 13.365 70.496 1.00 77.44 N ATOM 372 CA TYR A 761 -4.582 13.106 70.233 1.00 75.51 C ATOM 373 C TYR A 761 -4.259 12.985 68.744 1.00 78.33 C ATOM 374 O TYR A 761 -3.086 12.991 68.374 1.00 77.76 O ATOM 375 CB TYR A 761 -4.080 11.905 71.049 1.00 75.52 C ATOM 376 CG TYR A 761 -3.861 12.285 72.505 1.00 72.08 C ATOM 377 CD1 TYR A 761 -4.945 12.534 73.338 1.00 71.81 C ATOM 378 CD2 TYR A 761 -2.576 12.425 73.047 1.00 70.77 C ATOM 379 CE1 TYR A 761 -4.776 12.906 74.667 1.00 69.41 C ATOM 380 CE2 TYR A 761 -2.397 12.811 74.381 1.00 68.31 C ATOM 381 CZ TYR A 761 -3.516 13.058 75.180 1.00 67.70 C ATOM 382 OH TYR A 761 -3.423 13.444 76.490 1.00 64.90 O ATOM 383 HH TYR A 761 -4.332 13.563 76.863 1.00 0.00 H ATOM 384 H TYR A 761 -6.605 12.577 70.787 1.00 0.00 H ATOM 385 N GLU A 762 -5.287 12.903 67.895 1.00 80.83 N ATOM 386 CA GLU A 762 -5.085 13.010 66.451 1.00 84.42 C ATOM 387 C GLU A 762 -4.906 14.456 66.036 1.00 81.43 C ATOM 388 O GLU A 762 -4.105 14.740 65.139 1.00 82.25 O ATOM 389 CB GLU A 762 -6.240 12.383 65.656 1.00 89.80 C ATOM 390 CG GLU A 762 -6.158 10.879 65.517 1.00 94.93 C ATOM 391 CD GLU A 762 -6.867 10.171 66.648 1.00 96.98 C ATOM 392 OE1 GLU A 762 -7.357 9.074 66.379 1.00101.92 O ATOM 393 OE2 GLU A 762 -6.973 10.714 67.779 1.00 94.97 O ATOM 394 H GLU A 762 -6.247 12.761 68.268 1.00 0.00 H ATOM 395 N VAL A 763 -5.650 15.369 66.673 1.00 78.11 N ATOM 396 CA VAL A 763 -5.576 16.803 66.311 1.00 75.58 C ATOM 397 C VAL A 763 -4.453 17.546 67.060 1.00 71.09 C ATOM 398 O VAL A 763 -3.729 18.334 66.450 1.00 68.86 O ATOM 399 CB VAL A 763 -6.946 17.535 66.397 1.00 76.18 C ATOM 400 CG1 VAL A 763 -7.377 17.791 67.829 1.00 74.52 C ATOM 401 CG2 VAL A 763 -6.918 18.852 65.600 1.00 76.29 C ATOM 402 H VAL A 763 -6.290 15.066 67.434 1.00 0.00 H ATOM 403 N ILE A 764 -4.288 17.263 68.355 1.00 67.52 N ATOM 404 CA ILE A 764 -3.297 17.954 69.183 1.00 62.58 C ATOM 405 C ILE A 764 -1.969 17.164 69.210 1.00 61.14 C ATOM 406 O ILE A 764 -1.856 16.110 69.830 1.00 62.71 O ATOM 407 CB ILE A 764 -3.858 18.175 70.610 1.00 60.60 C ATOM 408 CG1 ILE A 764 -5.168 18.984 70.557 1.00 60.11 C ATOM 409 CG2 ILE A 764 -2.826 18.821 71.519 1.00 58.31 C ATOM 410 CD1 ILE A 764 -5.061 20.394 70.005 1.00 59.73 C ATOM 411 H ILE A 764 -4.882 16.528 68.789 1.00 0.00 H ATOM 412 N ARG A 765 -0.961 17.707 68.557 1.00 59.74 N ATOM 413 CA ARG A 765 0.283 16.986 68.307 1.00 60.82 C ATOM 414 C ARG A 765 1.234 17.055 69.502 1.00 58.23 C ATOM 415 O ARG A 765 1.963 16.097 69.769 1.00 58.36 O ATOM 416 CB ARG A 765 0.973 17.536 67.057 1.00 62.28 C ATOM 417 H ARG A 765 -1.055 18.682 68.208 1.00 0.00 H ATOM 418 N PHE A 766 1.230 18.183 70.215 1.00 54.97 N ATOM 419 CA PHE A 766 2.083 18.366 71.402 1.00 53.63 C ATOM 420 C PHE A 766 1.250 18.692 72.639 1.00 50.21 C ATOM 421 O PHE A 766 1.157 19.847 73.047 1.00 47.63 O ATOM 422 CB PHE A 766 3.116 19.436 71.133 1.00 54.50 C ATOM 423 CG PHE A 766 4.024 19.094 69.989 1.00 59.57 C ATOM 424 CD1 PHE A 766 4.994 18.092 70.125 1.00 62.83 C ATOM 425 CD2 PHE A 766 3.855 19.703 68.740 1.00 62.07 C ATOM 426 CE1 PHE A 766 5.811 17.731 69.041 1.00 67.23 C ATOM 427 CE2 PHE A 766 4.653 19.345 67.657 1.00 65.23 C ATOM 428 CZ PHE A 766 5.638 18.360 67.805 1.00 67.95 C ATOM 429 H PHE A 766 0.603 18.960 69.923 1.00 0.00 H ATOM 430 N PRO A 767 0.605 17.669 73.227 1.00 48.77 N ATOM 431 CA PRO A 767 -0.143 17.912 74.452 1.00 46.49 C ATOM 432 C PRO A 767 0.737 18.486 75.570 1.00 43.48 C ATOM 433 O PRO A 767 1.922 18.203 75.619 1.00 43.09 O ATOM 434 CB PRO A 767 -0.668 16.517 74.836 1.00 48.58 C ATOM 435 CG PRO A 767 0.049 15.550 73.942 1.00 51.15 C ATOM 436 CD PRO A 767 0.437 16.300 72.729 1.00 50.75 C ATOM 437 N MET A 768 0.150 19.289 76.448 1.00 41.03 N ATOM 438 CA MET A 768 0.865 19.790 77.607 1.00 40.43 C ATOM 439 C MET A 768 -0.123 20.084 78.743 1.00 40.95 C ATOM 440 O MET A 768 -1.315 20.298 78.503 1.00 42.07 O ATOM 441 CB MET A 768 1.684 21.038 77.217 1.00 39.93 C ATOM 442 CG MET A 768 2.641 21.580 78.274 1.00 39.28 C ATOM 443 SD MET A 768 3.677 20.344 79.152 1.00 39.41 S ATOM 444 CE MET A 768 4.510 19.554 77.784 1.00 40.19 C ATOM 445 H MET A 768 -0.842 19.565 76.303 1.00 0.00 H ATOM 446 N ASP A 769 0.369 20.026 79.983 1.00 40.39 N ATOM 447 CA ASP A 769 -0.436 20.292 81.165 1.00 40.32 C ATOM 448 C ASP A 769 0.464 20.694 82.315 1.00 40.43 C ATOM 449 O ASP A 769 1.661 20.474 82.275 1.00 41.40 O ATOM 450 CB ASP A 769 -1.206 19.046 81.549 1.00 42.28 C ATOM 451 CG ASP A 769 -0.301 17.941 82.003 1.00 42.70 C ATOM 452 OD1 ASP A 769 0.250 17.228 81.147 1.00 43.33 O ATOM 453 OD2 ASP A 769 -0.102 17.845 83.217 1.00 43.71 O ATOM 454 H ASP A 769 1.372 19.780 80.109 1.00 0.00 H ATOM 455 N LEU A 770 -0.132 21.220 83.368 1.00 41.40 N ATOM 456 CA LEU A 770 0.627 21.808 84.490 1.00 42.12 C ATOM 457 C LEU A 770 1.331 20.798 85.405 1.00 44.88 C ATOM 458 O LEU A 770 2.329 21.160 86.050 1.00 46.65 O ATOM 459 CB LEU A 770 -0.289 22.698 85.337 1.00 41.58 C ATOM 460 CG LEU A 770 -0.916 23.850 84.537 1.00 40.25 C ATOM 461 CD1 LEU A 770 -2.010 24.556 85.334 1.00 40.63 C ATOM 462 CD2 LEU A 770 0.151 24.826 84.072 1.00 38.27 C ATOM 463 H LEU A 770 -1.171 21.221 83.409 1.00 0.00 H ATOM 464 N LYS A 771 0.826 19.565 85.470 1.00 46.05 N ATOM 465 CA LYS A 771 1.527 18.493 86.175 1.00 48.49 C ATOM 466 C LYS A 771 2.824 18.108 85.445 1.00 47.37 C ATOM 467 O LYS A 771 3.885 18.025 86.062 1.00 48.18 O ATOM 468 CB LYS A 771 0.657 17.256 86.289 1.00 52.48 C ATOM 469 CG LYS A 771 1.250 16.138 87.125 1.00 57.77 C ATOM 470 CD LYS A 771 0.477 14.847 86.960 1.00 62.69 C ATOM 471 CE LYS A 771 0.094 14.210 88.275 1.00 68.23 C ATOM 472 NZ LYS A 771 -0.501 12.862 88.020 1.00 71.91 N ATOM 473 HZ1 LYS A 771 -1.347 12.965 87.424 1.00 0.00 H ATOM 474 HZ2 LYS A 771 0.196 12.263 87.534 1.00 0.00 H ATOM 475 HZ3 LYS A 771 -0.765 12.424 88.926 1.00 0.00 H ATOM 476 H LYS A 771 -0.084 19.362 85.010 1.00 0.00 H ATOM 477 N THR A 772 2.728 17.868 84.136 1.00 44.65 N ATOM 478 CA THR A 772 3.896 17.627 83.302 1.00 43.10 C ATOM 479 C THR A 772 4.897 18.808 83.449 1.00 42.03 C ATOM 480 O THR A 772 6.072 18.608 83.572 1.00 41.31 O ATOM 481 CB THR A 772 3.457 17.458 81.843 1.00 42.31 C ATOM 482 OG1 THR A 772 2.568 16.353 81.754 1.00 42.26 O ATOM 483 CG2 THR A 772 4.639 17.243 80.906 1.00 42.63 C ATOM 484 HG1 THR A 772 1.777 16.521 82.325 1.00 0.00 H ATOM 485 H THR A 772 1.786 17.853 83.696 1.00 0.00 H ATOM 486 N MET A 773 4.392 20.035 83.494 1.00 41.81 N ATOM 487 CA MET A 773 5.260 21.186 83.673 1.00 41.48 C ATOM 488 C MET A 773 5.944 21.189 85.029 1.00 42.35 C ATOM 489 O MET A 773 7.112 21.584 85.132 1.00 43.39 O ATOM 490 CB MET A 773 4.486 22.492 83.461 1.00 39.62 C ATOM 491 CG MET A 773 4.240 22.811 81.990 1.00 39.36 C ATOM 492 SD MET A 773 3.709 24.511 81.687 1.00 38.49 S ATOM 493 CE MET A 773 5.236 25.391 81.981 1.00 39.30 C ATOM 494 H MET A 773 3.366 20.173 83.400 1.00 0.00 H ATOM 495 N SER A 774 5.202 20.803 86.069 1.00 43.57 N ATOM 496 CA SER A 774 5.772 20.658 87.432 1.00 45.47 C ATOM 497 C SER A 774 6.914 19.670 87.451 1.00 46.39 C ATOM 498 O SER A 774 7.949 19.943 88.049 1.00 46.25 O ATOM 499 CB SER A 774 4.706 20.209 88.435 1.00 45.85 C ATOM 500 OG SER A 774 3.739 21.236 88.598 1.00 46.37 O ATOM 501 HG SER A 774 3.311 21.426 87.726 1.00 0.00 H ATOM 502 H SER A 774 4.193 20.597 85.920 1.00 0.00 H ATOM 503 N GLU A 775 6.726 18.549 86.755 1.00 48.05 N ATOM 504 CA GLU A 775 7.739 17.519 86.668 1.00 51.84 C ATOM 505 C GLU A 775 8.958 18.018 85.921 1.00 49.71 C ATOM 506 O GLU A 775 10.090 17.808 86.366 1.00 49.09 O ATOM 507 CB GLU A 775 7.232 16.294 85.920 1.00 56.00 C ATOM 508 CG GLU A 775 6.143 15.468 86.536 1.00 62.56 C ATOM 509 CD GLU A 775 5.528 14.525 85.486 1.00 67.06 C ATOM 510 OE1 GLU A 775 6.313 13.926 84.655 1.00 66.58 O ATOM 511 OE2 GLU A 775 4.263 14.422 85.475 1.00 69.65 O ATOM 512 H GLU A 775 5.823 18.410 86.259 1.00 0.00 H ATOM 513 N ARG A 776 8.712 18.628 84.752 1.00 46.85 N ATOM 514 CA ARG A 776 9.775 19.183 83.923 1.00 46.06 C ATOM 515 C ARG A 776 10.595 20.191 84.697 1.00 46.42 C ATOM 516 O ARG A 776 11.807 20.194 84.600 1.00 47.90 O ATOM 517 CB ARG A 776 9.201 19.841 82.675 1.00 43.46 C ATOM 518 CG ARG A 776 8.812 18.836 81.620 1.00 43.06 C ATOM 519 CD ARG A 776 8.291 19.498 80.358 1.00 41.57 C ATOM 520 NE ARG A 776 8.106 18.497 79.301 1.00 42.11 N ATOM 521 CZ ARG A 776 8.029 18.732 77.990 1.00 41.16 C ATOM 522 NH1 ARG A 776 8.156 19.961 77.494 1.00 40.39 N ATOM 523 NH2 ARG A 776 7.830 17.718 77.172 1.00 41.48 N ATOM 524 HE ARG A 776 8.027 17.505 79.604 1.00 0.00 H ATOM 525 HH12 ARG A 776 8.092 20.117 76.468 1.00 0.00 H ATOM 526 HH11 ARG A 776 8.319 20.765 78.133 1.00 0.00 H ATOM 527 HH22 ARG A 776 7.767 17.881 76.147 1.00 0.00 H ATOM 528 HH21 ARG A 776 7.736 16.754 77.552 1.00 0.00 H ATOM 529 H ARG A 776 7.728 18.708 84.425 1.00 0.00 H ATOM 530 N LEU A 777 9.919 21.056 85.441 1.00 45.69 N ATOM 531 CA LEU A 777 10.582 22.006 86.323 1.00 48.20 C ATOM 532 C LEU A 777 11.445 21.321 87.392 1.00 50.53 C ATOM 533 O LEU A 777 12.617 21.646 87.547 1.00 53.07 O ATOM 534 CB LEU A 777 9.541 22.917 87.006 1.00 48.77 C ATOM 535 CG LEU A 777 10.091 23.946 88.006 1.00 50.46 C ATOM 536 CD1 LEU A 777 10.955 24.958 87.287 1.00 51.10 C ATOM 537 CD2 LEU A 777 8.976 24.662 88.739 1.00 50.47 C ATOM 538 H LEU A 777 8.880 21.056 85.393 1.00 0.00 H ATOM 539 N LYS A 778 10.860 20.370 88.109 1.00 51.42 N ATOM 540 CA LYS A 778 11.564 19.565 89.123 1.00 53.53 C ATOM 541 C LYS A 778 12.754 18.828 88.498 1.00 52.86 C ATOM 542 O LYS A 778 13.816 18.655 89.137 1.00 54.35 O ATOM 543 CB LYS A 778 10.529 18.547 89.685 1.00 56.45 C ATOM 544 CG LYS A 778 10.948 17.560 90.785 1.00 62.48 C ATOM 545 CD LYS A 778 11.490 18.226 92.029 1.00 66.56 C ATOM 546 CE LYS A 778 11.250 17.334 93.242 1.00 71.82 C ATOM 547 NZ LYS A 778 12.042 17.746 94.431 1.00 75.77 N ATOM 548 HZ1 LYS A 778 13.056 17.704 94.202 1.00 0.00 H ATOM 549 HZ2 LYS A 778 11.786 18.718 94.697 1.00 0.00 H ATOM 550 HZ3 LYS A 778 11.837 17.103 95.222 1.00 0.00 H ATOM 551 H LYS A 778 9.850 20.183 87.947 1.00 0.00 H ATOM 552 N ASN A 779 12.602 18.418 87.243 1.00 50.25 N ATOM 553 CA ASN A 779 13.713 17.773 86.491 1.00 50.92 C ATOM 554 C ASN A 779 14.751 18.733 85.892 1.00 50.84 C ATOM 555 O ASN A 779 15.634 18.284 85.178 1.00 51.98 O ATOM 556 CB ASN A 779 13.161 16.878 85.383 1.00 49.47 C ATOM 557 CG ASN A 779 12.427 15.684 85.913 1.00 50.38 C ATOM 558 OD1 ASN A 779 12.627 15.264 87.057 1.00 52.33 O ATOM 559 ND2 ASN A 779 11.576 15.101 85.077 1.00 50.05 N ATOM 560 HD22 ASN A 779 11.438 15.488 84.122 1.00 0.00 H ATOM 561 HD21 ASN A 779 11.048 14.257 85.377 1.00 0.00 H ATOM 562 H ASN A 779 11.683 18.551 86.774 1.00 0.00 H ATOM 563 N ARG A 780 14.668 20.033 86.201 1.00 50.88 N ATOM 564 CA ARG A 780 15.657 21.020 85.714 1.00 52.13 C ATOM 565 C ARG A 780 15.704 21.110 84.175 1.00 51.64 C ATOM 566 O ARG A 780 16.746 21.333 83.585 1.00 52.44 O ATOM 567 CB ARG A 780 17.057 20.753 86.317 1.00 55.10 C ATOM 568 CG ARG A 780 17.094 20.830 87.850 1.00 57.26 C ATOM 569 CD ARG A 780 16.516 22.142 88.350 1.00 57.14 C ATOM 570 NE ARG A 780 16.848 22.457 89.731 1.00 60.57 N ATOM 571 CZ ARG A 780 17.389 23.601 90.171 1.00 63.80 C ATOM 572 NH1 ARG A 780 17.733 24.592 89.340 1.00 64.27 N ATOM 573 NH2 ARG A 780 17.618 23.750 91.478 1.00 66.62 N ATOM 574 HE ARG A 780 16.647 21.726 90.443 1.00 0.00 H ATOM 575 HH12 ARG A 780 18.151 25.466 89.718 1.00 0.00 H ATOM 576 HH11 ARG A 780 17.583 24.488 88.316 1.00 0.00 H ATOM 577 HH22 ARG A 780 18.037 24.632 91.835 1.00 0.00 H ATOM 578 HH21 ARG A 780 17.377 22.984 92.139 1.00 0.00 H ATOM 579 H ARG A 780 13.884 20.359 86.802 1.00 0.00 H ATOM 580 N TYR A 781 14.542 20.934 83.550 1.00 50.39 N ATOM 581 CA TYR A 781 14.395 21.076 82.111 1.00 49.98 C ATOM 582 C TYR A 781 14.327 22.545 81.680 1.00 49.53 C ATOM 583 O TYR A 781 14.744 22.879 80.568 1.00 50.90 O ATOM 584 CB TYR A 781 13.137 20.346 81.649 1.00 48.74 C ATOM 585 CG TYR A 781 12.785 20.543 80.201 1.00 47.32 C ATOM 586 CD1 TYR A 781 13.510 19.920 79.202 1.00 49.43 C ATOM 587 CD2 TYR A 781 11.710 21.341 79.835 1.00 46.70 C ATOM 588 CE1 TYR A 781 13.192 20.103 77.859 1.00 49.31 C ATOM 589 CE2 TYR A 781 11.372 21.544 78.501 1.00 47.07 C ATOM 590 CZ TYR A 781 12.113 20.911 77.519 1.00 48.37 C ATOM 591 OH TYR A 781 11.774 21.106 76.209 1.00 51.07 O ATOM 592 HH TYR A 781 12.391 20.592 75.630 1.00 0.00 H ATOM 593 H TYR A 781 13.705 20.685 84.115 1.00 0.00 H ATOM 594 N TYR A 782 13.789 23.418 82.540 1.00 48.67 N ATOM 595 CA TYR A 782 13.578 24.814 82.169 1.00 47.69 C ATOM 596 C TYR A 782 14.821 25.650 82.446 1.00 49.67 C ATOM 597 O TYR A 782 14.864 26.468 83.365 1.00 49.66 O ATOM 598 CB TYR A 782 12.333 25.386 82.845 1.00 45.84 C ATOM 599 CG TYR A 782 11.060 24.687 82.415 1.00 44.88 C ATOM 600 CD1 TYR A 782 10.684 24.635 81.065 1.00 45.03 C ATOM 601 CD2 TYR A 782 10.206 24.100 83.350 1.00 43.75 C ATOM 602 CE1 TYR A 782 9.518 23.995 80.666 1.00 43.53 C ATOM 603 CE2 TYR A 782 9.030 23.475 82.961 1.00 42.21 C ATOM 604 CZ TYR A 782 8.689 23.421 81.628 1.00 42.02 C ATOM 605 OH TYR A 782 7.547 22.769 81.230 1.00 40.56 O ATOM 606 HH TYR A 782 7.460 22.830 80.246 1.00 0.00 H ATOM 607 H TYR A 782 13.516 23.096 83.490 1.00 0.00 H ATOM 608 N VAL A 783 15.830 25.444 81.603 1.00 52.53 N ATOM 609 CA VAL A 783 17.109 26.197 81.689 1.00 55.76 C ATOM 610 C VAL A 783 17.021 27.622 81.096 1.00 57.16 C ATOM 611 O VAL A 783 17.988 28.386 81.184 1.00 59.33 O ATOM 612 CB VAL A 783 18.285 25.413 81.041 1.00 56.24 C ATOM 613 CG1 VAL A 783 18.459 24.066 81.732 1.00 55.73 C ATOM 614 CG2 VAL A 783 18.094 25.234 79.529 1.00 56.24 C ATOM 615 H VAL A 783 15.720 24.729 80.856 1.00 0.00 H ATOM 616 N SER A 784 15.876 27.952 80.473 1.00 56.55 N ATOM 617 CA SER A 784 15.625 29.284 79.916 1.00 57.30 C ATOM 618 C SER A 784 14.167 29.664 80.049 1.00 55.76 C ATOM 619 O SER A 784 13.284 28.806 80.195 1.00 53.88 O ATOM 620 CB SER A 784 16.034 29.337 78.433 1.00 57.75 C ATOM 621 OG SER A 784 15.080 28.684 77.617 1.00 56.30 O ATOM 622 HG SER A 784 15.368 28.733 76.671 1.00 0.00 H ATOM 623 H SER A 784 15.134 27.229 80.382 1.00 0.00 H ATOM 624 N LYS A 785 13.927 30.966 79.966 1.00 57.61 N ATOM 625 CA LYS A 785 12.595 31.528 79.959 1.00 55.24 C ATOM 626 C LYS A 785 11.810 30.992 78.744 1.00 54.78 C ATOM 627 O LYS A 785 10.658 30.568 78.871 1.00 52.25 O ATOM 628 CB LYS A 785 12.708 33.052 79.968 1.00 56.92 C ATOM 629 H LYS A 785 14.737 31.615 79.903 1.00 0.00 H ATOM 630 N LYS A 786 12.465 30.968 77.580 1.00 55.34 N ATOM 631 CA LYS A 786 11.863 30.507 76.332 1.00 54.05 C ATOM 632 C LYS A 786 11.146 29.159 76.483 1.00 50.48 C ATOM 633 O LYS A 786 9.999 29.016 76.048 1.00 49.20 O ATOM 634 CB LYS A 786 12.973 30.405 75.284 1.00 58.09 C ATOM 635 CG LYS A 786 12.501 30.161 73.873 1.00 59.74 C ATOM 636 CD LYS A 786 13.689 30.161 72.910 1.00 64.26 C ATOM 637 CE LYS A 786 13.219 29.971 71.471 1.00 66.56 C ATOM 638 NZ LYS A 786 14.071 30.711 70.511 1.00 70.87 N ATOM 639 HZ1 LYS A 786 14.040 31.726 70.733 1.00 0.00 H ATOM 640 HZ2 LYS A 786 15.050 30.368 70.583 1.00 0.00 H ATOM 641 HZ3 LYS A 786 13.718 30.556 69.545 1.00 0.00 H ATOM 642 H LYS A 786 13.453 31.294 77.562 1.00 0.00 H ATOM 643 N LEU A 787 11.829 28.178 77.074 1.00 48.53 N ATOM 644 CA LEU A 787 11.298 26.801 77.151 1.00 47.21 C ATOM 645 C LEU A 787 10.077 26.720 78.031 1.00 45.05 C ATOM 646 O LEU A 787 9.128 26.004 77.709 1.00 44.26 O ATOM 647 CB LEU A 787 12.353 25.818 77.670 1.00 48.26 C ATOM 648 CG LEU A 787 13.505 25.489 76.719 1.00 50.37 C ATOM 649 CD1 LEU A 787 14.655 24.830 77.476 1.00 51.32 C ATOM 650 CD2 LEU A 787 13.033 24.625 75.553 1.00 49.85 C ATOM 651 H LEU A 787 12.758 28.387 77.491 1.00 0.00 H ATOM 652 N PHE A 788 10.101 27.459 79.142 1.00 44.89 N ATOM 653 CA PHE A 788 8.965 27.542 80.062 1.00 43.22 C ATOM 654 C PHE A 788 7.761 28.207 79.417 1.00 43.21 C ATOM 655 O PHE A 788 6.650 27.672 79.480 1.00 41.75 O ATOM 656 CB PHE A 788 9.369 28.299 81.324 1.00 44.15 C ATOM 657 CG PHE A 788 8.282 28.365 82.382 1.00 43.25 C ATOM 658 CD1 PHE A 788 8.104 27.323 83.278 1.00 43.12 C ATOM 659 CD2 PHE A 788 7.475 29.485 82.501 1.00 43.17 C ATOM 660 CE1 PHE A 788 7.133 27.398 84.263 1.00 43.67 C ATOM 661 CE2 PHE A 788 6.492 29.563 83.470 1.00 43.25 C ATOM 662 CZ PHE A 788 6.317 28.522 84.357 1.00 43.23 C ATOM 663 H PHE A 788 10.962 27.998 79.363 1.00 0.00 H ATOM 664 N MET A 789 8.005 29.338 78.742 1.00 46.47 N ATOM 665 CA MET A 789 6.964 30.081 78.015 1.00 47.01 C ATOM 666 C MET A 789 6.292 29.236 76.987 1.00 42.32 C ATOM 667 O MET A 789 5.070 29.267 76.861 1.00 40.78 O ATOM 668 CB MET A 789 7.552 31.274 77.266 1.00 53.68 C ATOM 669 CG MET A 789 8.189 32.351 78.125 1.00 59.47 C ATOM 670 SD MET A 789 6.973 33.309 79.001 1.00 65.99 S ATOM 671 CE MET A 789 6.271 34.354 77.680 1.00 64.99 C ATOM 672 H MET A 789 8.977 29.709 78.731 1.00 0.00 H ATOM 673 N ALA A 790 7.076 28.476 76.236 1.00 40.30 N ATOM 674 CA ALA A 790 6.496 27.698 75.131 1.00 40.13 C ATOM 675 C ALA A 790 5.564 26.626 75.651 1.00 38.87 C ATOM 676 O ALA A 790 4.498 26.379 75.065 1.00 38.49 O ATOM 677 CB ALA A 790 7.579 27.081 74.259 1.00 40.71 C ATOM 678 H ALA A 790 8.097 28.430 76.427 1.00 0.00 H ATOM 679 N ASP A 791 5.948 25.988 76.762 1.00 38.37 N ATOM 680 CA ASP A 791 5.143 24.882 77.314 1.00 37.52 C ATOM 681 C ASP A 791 3.841 25.421 77.837 1.00 35.96 C ATOM 682 O ASP A 791 2.788 24.874 77.591 1.00 35.90 O ATOM 683 CB ASP A 791 5.916 24.150 78.438 1.00 38.75 C ATOM 684 CG ASP A 791 6.898 23.101 77.913 1.00 40.64 C ATOM 685 OD1 ASP A 791 7.031 22.938 76.668 1.00 41.22 O ATOM 686 OD2 ASP A 791 7.528 22.415 78.773 1.00 41.80 O ATOM 687 H ASP A 791 6.825 26.275 77.242 1.00 0.00 H ATOM 688 N LEU A 792 3.910 26.501 78.580 1.00 36.70 N ATOM 689 CA LEU A 792 2.704 27.048 79.168 1.00 37.38 C ATOM 690 C LEU A 792 1.787 27.662 78.122 1.00 38.08 C ATOM 691 O LEU A 792 0.576 27.443 78.134 1.00 35.83 O ATOM 692 CB LEU A 792 3.053 28.063 80.211 1.00 38.06 C ATOM 693 CG LEU A 792 1.948 28.580 81.126 1.00 39.43 C ATOM 694 CD1 LEU A 792 0.810 27.599 81.396 1.00 40.19 C ATOM 695 CD2 LEU A 792 2.571 28.986 82.453 1.00 40.72 C ATOM 696 H LEU A 792 4.827 26.962 78.746 1.00 0.00 H ATOM 697 N GLN A 793 2.385 28.314 77.137 1.00 40.75 N ATOM 698 CA GLN A 793 1.613 28.826 76.027 1.00 43.64 C ATOM 699 C GLN A 793 0.876 27.714 75.265 1.00 42.69 C ATOM 700 O GLN A 793 -0.288 27.869 74.883 1.00 42.67 O ATOM 701 CB GLN A 793 2.525 29.652 75.095 1.00 46.93 C ATOM 702 CG GLN A 793 1.775 30.426 74.044 1.00 51.65 C ATOM 703 CD GLN A 793 0.890 31.489 74.641 1.00 55.19 C ATOM 704 OE1 GLN A 793 1.383 32.521 75.099 1.00 63.08 O ATOM 705 NE2 GLN A 793 -0.435 31.280 74.585 1.00 56.72 N ATOM 706 HE22 GLN A 793 -0.805 30.392 74.189 1.00 0.00 H ATOM 707 HE21 GLN A 793 -1.091 32.006 74.937 1.00 0.00 H ATOM 708 H GLN A 793 3.415 28.458 77.162 1.00 0.00 H ATOM 709 N ARG A 794 1.545 26.595 75.073 1.00 42.96 N ATOM 710 CA ARG A 794 0.961 25.445 74.430 1.00 44.96 C ATOM 711 C ARG A 794 -0.250 24.865 75.150 1.00 41.59 C ATOM 712 O ARG A 794 -1.162 24.363 74.525 1.00 40.97 O ATOM 713 CB ARG A 794 2.001 24.361 74.310 1.00 49.14 C ATOM 714 CG ARG A 794 1.539 23.304 73.313 1.00 54.37 C ATOM 715 CD ARG A 794 2.661 22.829 72.426 1.00 57.56 C ATOM 716 NE ARG A 794 3.631 22.187 73.315 1.00 59.61 N ATOM 717 CZ ARG A 794 4.821 22.687 73.689 1.00 61.67 C ATOM 718 NH1 ARG A 794 5.549 21.990 74.571 1.00 63.00 N ATOM 719 NH2 ARG A 794 5.326 23.833 73.172 1.00 60.56 N ATOM 720 HE ARG A 794 3.374 21.253 73.694 1.00 0.00 H ATOM 721 HH12 ARG A 794 6.474 22.350 74.881 1.00 0.00 H ATOM 722 HH11 ARG A 794 5.189 21.089 74.946 1.00 0.00 H ATOM 723 HH22 ARG A 794 6.252 24.184 73.491 1.00 0.00 H ATOM 724 HH21 ARG A 794 4.788 24.362 72.456 1.00 0.00 H ATOM 725 H ARG A 794 2.531 26.540 75.398 1.00 0.00 H ATOM 726 N VAL A 795 -0.248 24.922 76.466 1.00 39.18 N ATOM 727 CA VAL A 795 -1.418 24.507 77.220 1.00 39.34 C ATOM 728 C VAL A 795 -2.643 25.277 76.724 1.00 39.76 C ATOM 729 O VAL A 795 -3.731 24.708 76.523 1.00 39.31 O ATOM 730 CB VAL A 795 -1.237 24.764 78.734 1.00 39.18 C ATOM 731 CG1 VAL A 795 -2.551 24.515 79.488 1.00 39.88 C ATOM 732 CG2 VAL A 795 -0.124 23.901 79.313 1.00 39.13 C ATOM 733 H VAL A 795 0.596 25.266 76.968 1.00 0.00 H ATOM 734 N PHE A 796 -2.454 26.582 76.527 1.00 39.94 N ATOM 735 CA PHE A 796 -3.560 27.448 76.140 1.00 40.88 C ATOM 736 C PHE A 796 -3.941 27.261 74.703 1.00 41.52 C ATOM 737 O PHE A 796 -5.104 27.180 74.397 1.00 42.23 O ATOM 738 CB PHE A 796 -3.229 28.908 76.417 1.00 41.47 C ATOM 739 CG PHE A 796 -2.814 29.169 77.816 1.00 40.29 C ATOM 740 CD1 PHE A 796 -3.535 28.643 78.842 1.00 41.59 C ATOM 741 CD2 PHE A 796 -1.712 29.984 78.097 1.00 41.06 C ATOM 742 CE1 PHE A 796 -3.154 28.856 80.119 1.00 42.60 C ATOM 743 CE2 PHE A 796 -1.333 30.213 79.384 1.00 41.65 C ATOM 744 CZ PHE A 796 -2.049 29.649 80.397 1.00 42.34 C ATOM 745 H PHE A 796 -1.504 26.987 76.651 1.00 0.00 H ATOM 746 N THR A 797 -2.956 27.174 73.823 1.00 42.26 N ATOM 747 CA THR A 797 -3.246 27.130 72.399 1.00 43.81 C ATOM 748 C THR A 797 -3.848 25.774 72.004 1.00 44.79 C ATOM 749 O THR A 797 -4.694 25.700 71.100 1.00 46.94 O ATOM 750 CB THR A 797 -2.003 27.497 71.541 1.00 44.26 C ATOM 751 OG1 THR A 797 -0.965 26.525 71.707 1.00 44.23 O ATOM 752 CG2 THR A 797 -1.465 28.887 71.925 1.00 43.58 C ATOM 753 HG1 THR A 797 -1.298 25.637 71.424 1.00 0.00 H ATOM 754 H THR A 797 -1.970 27.137 74.152 1.00 0.00 H ATOM 755 N ASN A 798 -3.420 24.704 72.680 1.00 44.35 N ATOM 756 CA ASN A 798 -4.054 23.389 72.509 1.00 43.87 C ATOM 757 C ASN A 798 -5.549 23.458 72.861 1.00 43.09 C ATOM 758 O ASN A 798 -6.428 23.060 72.084 1.00 44.58 O ATOM 759 CB ASN A 798 -3.397 22.339 73.403 1.00 43.95 C ATOM 760 CG ASN A 798 -2.009 21.916 72.938 1.00 44.38 C ATOM 761 OD1 ASN A 798 -1.581 22.201 71.824 1.00 45.32 O ATOM 762 ND2 ASN A 798 -1.303 21.213 73.816 1.00 43.74 N ATOM 763 HD22 ASN A 798 -1.705 20.994 74.750 1.00 0.00 H ATOM 764 HD21 ASN A 798 -0.348 20.882 73.570 1.00 0.00 H ATOM 765 H ASN A 798 -2.623 24.804 73.340 1.00 0.00 H ATOM 766 N CYS A 799 -5.822 23.997 74.025 1.00 40.68 N ATOM 767 CA CYS A 799 -7.185 24.135 74.492 1.00 41.59 C ATOM 768 C CYS A 799 -8.042 24.955 73.524 1.00 41.57 C ATOM 769 O CYS A 799 -9.185 24.581 73.230 1.00 42.81 O ATOM 770 CB CYS A 799 -7.174 24.794 75.869 1.00 40.40 C ATOM 771 SG CYS A 799 -8.817 25.007 76.559 1.00 42.47 S ATOM 772 H CYS A 799 -5.042 24.333 74.626 1.00 0.00 H ATOM 773 N LYS A 800 -7.493 26.059 73.021 1.00 41.11 N ATOM 774 CA LYS A 800 -8.256 26.931 72.163 1.00 41.95 C ATOM 775 C LYS A 800 -8.488 26.343 70.796 1.00 44.01 C ATOM 776 O LYS A 800 -9.552 26.618 70.199 1.00 44.96 O ATOM 777 CB LYS A 800 -7.616 28.301 72.076 1.00 40.84 C ATOM 778 CG LYS A 800 -7.742 29.024 73.382 1.00 39.59 C ATOM 779 CD LYS A 800 -7.381 30.516 73.300 1.00 39.72 C ATOM 780 CE LYS A 800 -6.068 30.789 73.965 1.00 38.74 C ATOM 781 NZ LYS A 800 -5.668 32.203 73.852 1.00 39.82 N ATOM 782 HZ1 LYS A 800 -5.581 32.458 72.848 1.00 0.00 H ATOM 783 HZ2 LYS A 800 -6.389 32.803 74.302 1.00 0.00 H ATOM 784 HZ3 LYS A 800 -4.753 32.342 74.327 1.00 0.00 H ATOM 785 H LYS A 800 -6.506 26.294 73.249 1.00 0.00 H ATOM 786 N GLU A 801 -7.517 25.560 70.293 1.00 45.22 N ATOM 787 CA GLU A 801 -7.704 24.873 68.987 1.00 49.77 C ATOM 788 C GLU A 801 -8.786 23.803 69.079 1.00 52.22 C ATOM 789 O GLU A 801 -9.629 23.700 68.184 1.00 54.63 O ATOM 790 CB GLU A 801 -6.384 24.287 68.390 1.00 51.03 C ATOM 791 CG GLU A 801 -6.502 23.051 67.472 1.00 53.35 C ATOM 792 CD GLU A 801 -5.415 23.045 66.384 1.00 54.67 C ATOM 793 OE1 GLU A 801 -4.243 23.263 66.770 1.00 54.06 O ATOM 794 OE2 GLU A 801 -5.722 22.840 65.161 1.00 55.96 O ATOM 795 H GLU A 801 -6.630 25.434 70.821 1.00 0.00 H ATOM 796 N TYR A 802 -8.747 23.013 70.157 1.00 52.27 N ATOM 797 CA TYR A 802 -9.624 21.861 70.301 1.00 53.87 C ATOM 798 C TYR A 802 -11.054 22.230 70.670 1.00 54.03 C ATOM 799 O TYR A 802 -11.983 21.674 70.136 1.00 54.63 O ATOM 800 CB TYR A 802 -9.071 20.907 71.333 1.00 54.27 C ATOM 801 CG TYR A 802 -9.829 19.611 71.360 1.00 59.06 C ATOM 802 CD1 TYR A 802 -9.686 18.687 70.316 1.00 62.25 C ATOM 803 CD2 TYR A 802 -10.732 19.308 72.406 1.00 59.67 C ATOM 804 CE1 TYR A 802 -10.420 17.504 70.307 1.00 65.80 C ATOM 805 CE2 TYR A 802 -11.461 18.129 72.404 1.00 62.80 C ATOM 806 CZ TYR A 802 -11.299 17.227 71.357 1.00 66.18 C ATOM 807 OH TYR A 802 -11.981 16.036 71.380 1.00 70.75 O ATOM 808 HH TYR A 802 -11.757 15.513 70.570 1.00 0.00 H ATOM 809 H TYR A 802 -8.069 23.229 70.916 1.00 0.00 H ATOM 810 N ASN A 803 -11.227 23.179 71.575 1.00 53.09 N ATOM 811 CA ASN A 803 -12.560 23.485 72.107 1.00 54.94 C ATOM 812 C ASN A 803 -13.304 24.649 71.411 1.00 55.31 C ATOM 813 O ASN A 803 -12.669 25.600 70.937 1.00 54.96 O ATOM 814 CB ASN A 803 -12.434 23.796 73.577 1.00 53.91 C ATOM 815 CG ASN A 803 -11.948 22.596 74.377 1.00 55.49 C ATOM 816 OD1 ASN A 803 -12.717 21.701 74.683 1.00 56.38 O ATOM 817 ND2 ASN A 803 -10.680 22.594 74.728 1.00 54.09 N ATOM 818 HD22 ASN A 803 -10.061 23.380 74.444 1.00 0.00 H ATOM 819 HD21 ASN A 803 -10.297 21.807 75.289 1.00 0.00 H ATOM 820 H ASN A 803 -10.405 23.717 71.915 1.00 0.00 H ATOM 821 N PRO A 804 -14.656 24.583 71.385 1.00 57.99 N ATOM 822 CA PRO A 804 -15.432 25.705 70.837 1.00 57.97 C ATOM 823 C PRO A 804 -15.301 26.958 71.713 1.00 56.17 C ATOM 824 O PRO A 804 -15.057 26.838 72.923 1.00 53.43 O ATOM 825 CB PRO A 804 -16.875 25.187 70.791 1.00 61.14 C ATOM 826 CG PRO A 804 -16.921 23.959 71.646 1.00 61.53 C ATOM 827 CD PRO A 804 -15.515 23.454 71.828 1.00 59.64 C ATOM 828 N PRO A 805 -15.352 28.154 71.075 1.00 55.48 N ATOM 829 CA PRO A 805 -14.882 29.409 71.665 1.00 54.07 C ATOM 830 C PRO A 805 -15.648 29.872 72.906 1.00 54.25 C ATOM 831 O PRO A 805 -15.077 30.577 73.756 1.00 52.32 O ATOM 832 CB PRO A 805 -15.028 30.429 70.512 1.00 56.02 C ATOM 833 CG PRO A 805 -15.965 29.811 69.531 1.00 57.79 C ATOM 834 CD PRO A 805 -15.808 28.330 69.678 1.00 57.81 C ATOM 835 N GLU A 806 -16.912 29.467 73.030 1.00 55.65 N ATOM 836 CA GLU A 806 -17.698 29.830 74.205 1.00 56.09 C ATOM 837 C GLU A 806 -17.783 28.704 75.215 1.00 55.24 C ATOM 838 O GLU A 806 -18.551 28.802 76.161 1.00 55.80 O ATOM 839 CB GLU A 806 -19.091 30.349 73.790 1.00 59.30 C ATOM 840 CG GLU A 806 -19.062 31.441 72.695 1.00 59.87 C ATOM 841 CD GLU A 806 -18.157 32.636 73.037 1.00 59.02 C ATOM 842 OE1 GLU A 806 -18.197 33.097 74.199 1.00 59.08 O ATOM 843 OE2 GLU A 806 -17.401 33.113 72.149 1.00 58.01 O ATOM 844 H GLU A 806 -17.342 28.887 72.282 1.00 0.00 H ATOM 845 N SER A 807 -16.963 27.664 75.049 1.00 53.38 N ATOM 846 CA SER A 807 -16.861 26.616 76.049 1.00 54.50 C ATOM 847 C SER A 807 -16.180 27.150 77.299 1.00 53.65 C ATOM 848 O SER A 807 -15.351 28.054 77.229 1.00 52.80 O ATOM 849 CB SER A 807 -16.081 25.395 75.537 1.00 53.37 C ATOM 850 OG SER A 807 -14.712 25.696 75.430 1.00 51.11 O ATOM 851 HG SER A 807 -14.589 26.446 74.796 1.00 0.00 H ATOM 852 H SER A 807 -16.386 27.603 74.186 1.00 0.00 H ATOM 853 N GLU A 808 -16.538 26.563 78.430 1.00 54.60 N ATOM 854 CA GLU A 808 -15.904 26.820 79.711 1.00 54.81 C ATOM 855 C GLU A 808 -14.379 26.587 79.643 1.00 52.97 C ATOM 856 O GLU A 808 -13.607 27.333 80.252 1.00 51.81 O ATOM 857 CB GLU A 808 -16.527 25.865 80.762 1.00 57.61 C ATOM 858 CG GLU A 808 -16.310 26.180 82.222 1.00 58.51 C ATOM 859 CD GLU A 808 -17.004 25.162 83.122 1.00 61.51 C ATOM 860 OE1 GLU A 808 -17.042 23.936 82.777 1.00 62.20 O ATOM 861 OE2 GLU A 808 -17.560 25.608 84.146 1.00 62.36 O ATOM 862 H GLU A 808 -17.319 25.877 78.399 1.00 0.00 H ATOM 863 N TYR A 809 -13.942 25.568 78.894 1.00 52.95 N ATOM 864 CA TYR A 809 -12.497 25.297 78.753 1.00 50.87 C ATOM 865 C TYR A 809 -11.784 26.444 78.053 1.00 47.06 C ATOM 866 O TYR A 809 -10.715 26.856 78.502 1.00 44.26 O ATOM 867 CB TYR A 809 -12.223 23.980 78.014 1.00 53.38 C ATOM 868 CG TYR A 809 -12.709 22.751 78.750 1.00 58.75 C ATOM 869 CD1 TYR A 809 -12.389 22.534 80.075 1.00 59.29 C ATOM 870 CD2 TYR A 809 -13.483 21.794 78.105 1.00 63.90 C ATOM 871 CE1 TYR A 809 -12.822 21.399 80.744 1.00 62.72 C ATOM 872 CE2 TYR A 809 -13.923 20.658 78.765 1.00 66.55 C ATOM 873 CZ TYR A 809 -13.582 20.469 80.080 1.00 66.06 C ATOM 874 OH TYR A 809 -14.020 19.356 80.732 1.00 71.13 O ATOM 875 HH TYR A 809 -13.690 19.370 81.665 1.00 0.00 H ATOM 876 H TYR A 809 -14.629 24.959 78.405 1.00 0.00 H ATOM 877 N TYR A 810 -12.366 26.932 76.949 1.00 45.96 N ATOM 878 CA TYR A 810 -11.792 28.054 76.195 1.00 44.22 C ATOM 879 C TYR A 810 -11.768 29.314 77.058 1.00 43.45 C ATOM 880 O TYR A 810 -10.750 29.962 77.135 1.00 41.58 O ATOM 881 CB TYR A 810 -12.569 28.293 74.893 1.00 45.11 C ATOM 882 CG TYR A 810 -11.842 29.100 73.831 1.00 43.11 C ATOM 883 CD1 TYR A 810 -11.531 30.436 74.040 1.00 42.53 C ATOM 884 CD2 TYR A 810 -11.465 28.521 72.621 1.00 43.05 C ATOM 885 CE1 TYR A 810 -10.879 31.185 73.063 1.00 42.62 C ATOM 886 CE2 TYR A 810 -10.805 29.266 71.641 1.00 43.19 C ATOM 887 CZ TYR A 810 -10.526 30.597 71.870 1.00 42.34 C ATOM 888 OH TYR A 810 -9.875 31.348 70.941 1.00 42.72 O ATOM 889 HH TYR A 810 -9.766 32.271 71.282 1.00 0.00 H ATOM 890 H TYR A 810 -13.252 26.502 76.615 1.00 0.00 H ATOM 891 N LYS A 811 -12.855 29.590 77.773 1.00 45.69 N ATOM 892 CA LYS A 811 -12.893 30.718 78.734 1.00 47.17 C ATOM 893 C LYS A 811 -11.785 30.660 79.786 1.00 46.24 C ATOM 894 O LYS A 811 -11.067 31.645 80.001 1.00 46.25 O ATOM 895 CB LYS A 811 -14.235 30.773 79.459 1.00 50.96 C ATOM 896 CG LYS A 811 -15.368 31.283 78.591 1.00 54.94 C ATOM 897 CD LYS A 811 -16.699 31.186 79.328 1.00 58.27 C ATOM 898 CE LYS A 811 -17.855 31.371 78.361 1.00 62.32 C ATOM 899 NZ LYS A 811 -19.052 30.666 78.886 1.00 66.97 N ATOM 900 HZ1 LYS A 811 -18.840 29.653 78.986 1.00 0.00 H ATOM 901 HZ2 LYS A 811 -19.307 31.061 79.814 1.00 0.00 H ATOM 902 HZ3 LYS A 811 -19.845 30.792 78.225 1.00 0.00 H ATOM 903 H LYS A 811 -13.702 28.998 77.655 1.00 0.00 H ATOM 904 N CYS A 812 -11.649 29.506 80.445 1.00 45.47 N ATOM 905 CA CYS A 812 -10.585 29.308 81.442 1.00 44.77 C ATOM 906 C CYS A 812 -9.207 29.597 80.843 1.00 42.33 C ATOM 907 O CYS A 812 -8.384 30.262 81.474 1.00 42.59 O ATOM 908 CB CYS A 812 -10.614 27.872 82.040 1.00 44.74 C ATOM 909 SG CYS A 812 -11.999 27.585 83.169 1.00 46.44 S ATOM 910 H CYS A 812 -12.311 28.729 80.249 1.00 0.00 H ATOM 911 N ALA A 813 -8.974 29.104 79.631 1.00 40.78 N ATOM 912 CA ALA A 813 -7.689 29.270 78.988 1.00 39.57 C ATOM 913 C ALA A 813 -7.294 30.733 78.817 1.00 39.21 C ATOM 914 O ALA A 813 -6.158 31.084 79.073 1.00 38.39 O ATOM 915 CB ALA A 813 -7.679 28.608 77.641 1.00 39.90 C ATOM 916 H ALA A 813 -9.730 28.589 79.136 1.00 0.00 H ATOM 917 N ASN A 814 -8.243 31.574 78.410 1.00 39.32 N ATOM 918 CA ASN A 814 -7.940 32.991 78.215 1.00 40.21 C ATOM 919 C ASN A 814 -7.813 33.764 79.491 1.00 39.88 C ATOM 920 O ASN A 814 -6.989 34.657 79.570 1.00 38.06 O ATOM 921 CB ASN A 814 -8.955 33.659 77.308 1.00 41.55 C ATOM 922 CG ASN A 814 -8.606 33.493 75.847 1.00 42.04 C ATOM 923 OD1 ASN A 814 -7.447 33.213 75.491 1.00 41.03 O ATOM 924 ND2 ASN A 814 -9.599 33.715 74.974 1.00 42.98 N ATOM 925 HD22 ASN A 814 -10.553 33.946 75.319 1.00 0.00 H ATOM 926 HD21 ASN A 814 -9.416 33.656 73.952 1.00 0.00 H ATOM 927 H ASN A 814 -9.205 31.221 78.230 1.00 0.00 H ATOM 928 N ILE A 815 -8.623 33.404 80.493 1.00 41.44 N ATOM 929 CA ILE A 815 -8.505 33.989 81.824 1.00 42.76 C ATOM 930 C ILE A 815 -7.124 33.678 82.377 1.00 41.74 C ATOM 931 O ILE A 815 -6.416 34.559 82.821 1.00 43.72 O ATOM 932 CB ILE A 815 -9.614 33.475 82.781 1.00 45.12 C ATOM 933 CG1 ILE A 815 -10.983 34.043 82.364 1.00 47.29 C ATOM 934 CG2 ILE A 815 -9.340 33.912 84.220 1.00 46.12 C ATOM 935 CD1 ILE A 815 -12.177 33.450 83.118 1.00 48.12 C ATOM 936 H ILE A 815 -9.357 32.688 80.318 1.00 0.00 H ATOM 937 N LEU A 816 -6.728 32.424 82.318 1.00 40.98 N ATOM 938 CA LEU A 816 -5.448 31.976 82.913 1.00 39.83 C ATOM 939 C LEU A 816 -4.223 32.423 82.101 1.00 38.01 C ATOM 940 O LEU A 816 -3.171 32.677 82.664 1.00 37.78 O ATOM 941 CB LEU A 816 -5.440 30.452 83.055 1.00 38.88 C ATOM 942 CG LEU A 816 -4.317 29.844 83.908 1.00 38.87 C ATOM 943 CD1 LEU A 816 -4.451 30.286 85.358 1.00 39.41 C ATOM 944 CD2 LEU A 816 -4.318 28.322 83.804 1.00 39.10 C ATOM 945 H LEU A 816 -7.333 31.726 81.839 1.00 0.00 H ATOM 946 N GLU A 817 -4.380 32.528 80.798 1.00 37.02 N ATOM 947 CA GLU A 817 -3.365 33.173 79.929 1.00 37.39 C ATOM 948 C GLU A 817 -3.129 34.640 80.263 1.00 38.23 C ATOM 949 O GLU A 817 -1.970 35.071 80.335 1.00 37.12 O ATOM 950 CB GLU A 817 -3.779 33.077 78.476 1.00 37.39 C ATOM 951 CG GLU A 817 -2.738 33.558 77.482 1.00 38.67 C ATOM 952 CD GLU A 817 -3.284 33.595 76.065 1.00 40.06 C ATOM 953 OE1 GLU A 817 -4.355 34.198 75.872 1.00 39.92 O ATOM 954 OE2 GLU A 817 -2.690 32.965 75.158 1.00 42.56 O ATOM 955 H GLU A 817 -5.244 32.146 80.363 1.00 0.00 H ATOM 956 N LYS A 818 -4.211 35.408 80.474 1.00 39.02 N ATOM 957 CA LYS A 818 -4.071 36.774 80.981 1.00 41.63 C ATOM 958 C LYS A 818 -3.280 36.828 82.257 1.00 43.11 C ATOM 959 O LYS A 818 -2.390 37.642 82.416 1.00 45.08 O ATOM 960 CB LYS A 818 -5.418 37.398 81.291 1.00 44.24 C ATOM 961 CG LYS A 818 -6.148 37.982 80.111 1.00 45.68 C ATOM 962 CD LYS A 818 -7.321 38.820 80.598 1.00 47.72 C ATOM 963 CE LYS A 818 -8.275 39.111 79.455 1.00 48.32 C ATOM 964 NZ LYS A 818 -9.448 39.879 79.938 1.00 50.40 N ATOM 965 HZ1 LYS A 818 -9.948 39.326 80.663 1.00 0.00 H ATOM 966 HZ2 LYS A 818 -9.127 40.779 80.347 1.00 0.00 H ATOM 967 HZ3 LYS A 818 -10.089 40.068 79.141 1.00 0.00 H ATOM 968 H LYS A 818 -5.158 35.028 80.275 1.00 0.00 H ATOM 969 N PHE A 819 -3.619 35.941 83.182 1.00 43.85 N ATOM 970 CA PHE A 819 -2.970 35.908 84.470 1.00 45.77 C ATOM 971 C PHE A 819 -1.485 35.595 84.288 1.00 45.64 C ATOM 972 O PHE A 819 -0.622 36.303 84.776 1.00 47.09 O ATOM 973 CB PHE A 819 -3.675 34.875 85.359 1.00 45.04 C ATOM 974 CG PHE A 819 -3.096 34.763 86.726 1.00 45.67 C ATOM 975 CD1 PHE A 819 -3.412 35.706 87.702 1.00 47.26 C ATOM 976 CD2 PHE A 819 -2.269 33.681 87.066 1.00 44.76 C ATOM 977 CE1 PHE A 819 -2.881 35.599 88.989 1.00 49.12 C ATOM 978 CE2 PHE A 819 -1.728 33.565 88.357 1.00 46.01 C ATOM 979 CZ PHE A 819 -2.036 34.522 89.319 1.00 47.97 C ATOM 980 H PHE A 819 -4.370 35.253 82.974 1.00 0.00 H ATOM 981 N PHE A 820 -1.226 34.522 83.575 1.00 46.12 N ATOM 982 CA PHE A 820 0.121 34.126 83.177 1.00 47.41 C ATOM 983 C PHE A 820 0.967 35.299 82.625 1.00 48.50 C ATOM 984 O PHE A 820 2.038 35.574 83.163 1.00 49.21 O ATOM 985 CB PHE A 820 -0.008 33.006 82.148 1.00 46.94 C ATOM 986 CG PHE A 820 1.210 32.781 81.310 1.00 48.72 C ATOM 987 CD1 PHE A 820 2.384 32.317 81.889 1.00 50.84 C ATOM 988 CD2 PHE A 820 1.170 32.977 79.927 1.00 51.81 C ATOM 989 CE1 PHE A 820 3.507 32.079 81.113 1.00 51.76 C ATOM 990 CE2 PHE A 820 2.297 32.735 79.141 1.00 53.85 C ATOM 991 CZ PHE A 820 3.465 32.284 79.741 1.00 52.87 C ATOM 992 H PHE A 820 -2.023 33.923 83.279 1.00 0.00 H ATOM 993 N PHE A 821 0.475 36.008 81.600 1.00 48.31 N ATOM 994 CA PHE A 821 1.256 37.129 81.014 1.00 49.93 C ATOM 995 C PHE A 821 1.467 38.253 82.012 1.00 52.11 C ATOM 996 O PHE A 821 2.534 38.866 82.006 1.00 53.60 O ATOM 997 CB PHE A 821 0.617 37.723 79.745 1.00 49.75 C ATOM 998 CG PHE A 821 0.816 36.895 78.505 1.00 48.69 C ATOM 999 CD1 PHE A 821 2.094 36.633 78.027 1.00 49.80 C ATOM 1000 CD2 PHE A 821 -0.268 36.388 77.806 1.00 46.64 C ATOM 1001 CE1 PHE A 821 2.283 35.861 76.889 1.00 48.22 C ATOM 1002 CE2 PHE A 821 -0.082 35.584 76.697 1.00 45.82 C ATOM 1003 CZ PHE A 821 1.192 35.334 76.230 1.00 46.45 C ATOM 1004 H PHE A 821 -0.460 35.772 81.211 1.00 0.00 H ATOM 1005 N SER A 822 0.497 38.500 82.902 1.00 53.83 N ATOM 1006 CA SER A 822 0.712 39.494 83.949 1.00 58.03 C ATOM 1007 C SER A 822 1.846 39.044 84.892 1.00 58.94 C ATOM 1008 O SER A 822 2.696 39.852 85.236 1.00 63.06 O ATOM 1009 CB SER A 822 -0.570 39.832 84.716 1.00 59.40 C ATOM 1010 OG SER A 822 -0.902 38.820 85.661 1.00 62.14 O ATOM 1011 HG SER A 822 -1.039 37.961 85.188 1.00 0.00 H ATOM 1012 H SER A 822 -0.405 37.986 82.847 1.00 0.00 H ATOM 1013 N LYS A 823 1.879 37.775 85.288 1.00 57.14 N ATOM 1014 CA LYS A 823 2.937 37.285 86.219 1.00 60.11 C ATOM 1015 C LYS A 823 4.324 37.231 85.593 1.00 59.96 C ATOM 1016 O LYS A 823 5.293 37.540 86.253 1.00 63.39 O ATOM 1017 CB LYS A 823 2.580 35.902 86.819 1.00 59.80 C ATOM 1018 CG LYS A 823 1.350 35.891 87.720 1.00 60.98 C ATOM 1019 CD LYS A 823 1.544 36.778 88.942 1.00 65.54 C ATOM 1020 CE LYS A 823 0.223 37.057 89.619 1.00 68.22 C ATOM 1021 NZ LYS A 823 0.381 37.956 90.786 1.00 72.13 N ATOM 1022 HZ1 LYS A 823 1.017 37.513 91.480 1.00 0.00 H ATOM 1023 HZ2 LYS A 823 0.785 38.861 90.472 1.00 0.00 H ATOM 1024 HZ3 LYS A 823 -0.548 38.122 91.222 1.00 0.00 H ATOM 1025 H LYS A 823 1.155 37.113 84.943 1.00 0.00 H ATOM 1026 N ILE A 824 4.406 36.817 84.336 1.00 58.63 N ATOM 1027 CA ILE A 824 5.651 36.867 83.554 1.00 60.45 C ATOM 1028 C ILE A 824 6.257 38.283 83.486 1.00 63.35 C ATOM 1029 O ILE A 824 7.456 38.467 83.714 1.00 65.37 O ATOM 1030 CB ILE A 824 5.370 36.405 82.103 1.00 62.26 C ATOM 1031 CG1 ILE A 824 5.082 34.903 82.061 1.00 61.30 C ATOM 1032 CG2 ILE A 824 6.522 36.745 81.166 1.00 64.96 C ATOM 1033 CD1 ILE A 824 6.283 34.020 82.337 1.00 62.22 C ATOM 1034 H ILE A 824 3.550 36.439 83.882 1.00 0.00 H ATOM 1035 N LYS A 825 5.412 39.265 83.180 1.00 62.77 N ATOM 1036 CA LYS A 825 5.818 40.659 83.080 1.00 67.12 C ATOM 1037 C LYS A 825 6.200 41.209 84.457 1.00 69.52 C ATOM 1038 O LYS A 825 7.228 41.867 84.616 1.00 70.29 O ATOM 1039 CB LYS A 825 4.706 41.514 82.411 1.00 67.12 C ATOM 1040 CG LYS A 825 4.542 41.224 80.935 1.00 67.26 C ATOM 1041 CD LYS A 825 3.456 42.100 80.304 1.00 67.37 C ATOM 1042 CE LYS A 825 2.639 41.366 79.265 1.00 65.55 C ATOM 1043 NZ LYS A 825 1.437 42.146 78.829 1.00 66.91 N ATOM 1044 HZ1 LYS A 825 0.826 42.326 79.651 1.00 0.00 H ATOM 1045 HZ2 LYS A 825 1.743 43.051 78.418 1.00 0.00 H ATOM 1046 HZ3 LYS A 825 0.911 41.600 78.117 1.00 0.00 H ATOM 1047 H LYS A 825 4.415 39.025 83.004 1.00 0.00 H ATOM 1048 N GLU A 826 5.372 40.920 85.447 1.00 71.91 N ATOM 1049 CA GLU A 826 5.648 41.276 86.846 1.00 76.21 C ATOM 1050 C GLU A 826 7.011 40.777 87.331 1.00 76.98 C ATOM 1051 O GLU A 826 7.672 41.458 88.102 1.00 81.09 O ATOM 1052 CB GLU A 826 4.515 40.727 87.714 1.00 77.22 C ATOM 1053 CG GLU A 826 4.630 40.899 89.204 1.00 81.75 C ATOM 1054 CD GLU A 826 3.380 40.397 89.867 1.00 83.67 C ATOM 1055 OE1 GLU A 826 3.524 39.580 90.775 1.00 85.02 O ATOM 1056 OE2 GLU A 826 2.262 40.781 89.435 1.00 84.78 O ATOM 1057 H GLU A 826 4.488 40.419 85.226 1.00 0.00 H ATOM 1058 N ALA A 827 7.430 39.595 86.876 1.00 75.59 N ATOM 1059 CA ALA A 827 8.754 39.032 87.237 1.00 76.89 C ATOM 1060 C ALA A 827 9.953 39.597 86.431 1.00 79.38 C ATOM 1061 O ALA A 827 11.098 39.197 86.657 1.00 77.22 O ATOM 1062 CB ALA A 827 8.721 37.516 87.117 1.00 74.12 C ATOM 1063 H ALA A 827 6.807 39.050 86.247 1.00 0.00 H ATOM 1064 N GLY A 828 9.694 40.529 85.510 1.00 82.27 N ATOM 1065 CA GLY A 828 10.728 41.028 84.605 1.00 85.10 C ATOM 1066 C GLY A 828 11.322 39.932 83.728 1.00 84.46 C ATOM 1067 O GLY A 828 12.481 39.996 83.340 1.00 86.98 O ATOM 1068 H GLY A 828 8.729 40.911 85.435 1.00 0.00 H ATOM 1069 N LEU A 829 10.515 38.936 83.402 1.00 82.44 N ATOM 1070 CA LEU A 829 10.978 37.785 82.691 1.00 83.40 C ATOM 1071 C LEU A 829 10.761 37.991 81.128 1.00 85.48 C ATOM 1072 O LEU A 829 11.163 37.144 80.330 1.00 83.09 O ATOM 1073 CB LEU A 829 10.212 36.560 83.159 1.00 82.92 C ATOM 1074 CG LEU A 829 10.964 35.231 83.094 1.00 84.13 C ATOM 1075 CD1 LEU A 829 11.919 35.067 84.280 1.00 84.52 C ATOM 1076 CD2 LEU A 829 9.956 34.097 83.037 1.00 82.97 C ATOM 1077 H LEU A 829 9.512 38.992 83.671 1.00 0.00 H ATOM 1078 N ILE A 830 10.031 39.059 80.726 1.00 90.99 N ATOM 1079 CA ILE A 830 10.043 39.627 79.332 1.00 95.23 C ATOM 1080 C ILE A 830 10.517 41.079 79.444 1.00 97.98 C ATOM 1081 O ILE A 830 9.991 41.810 80.284 1.00 99.58 O ATOM 1082 CB ILE A 830 8.631 39.719 78.648 1.00 94.72 C ATOM 1083 CG1 ILE A 830 7.977 38.343 78.493 1.00 90.27 C ATOM 1084 CG2 ILE A 830 8.706 40.442 77.282 1.00 96.46 C ATOM 1085 CD1 ILE A 830 6.488 38.403 78.194 1.00 88.02 C ATOM 1086 H ILE A 830 9.419 39.519 81.430 1.00 0.00 H ATOM 1087 N ASP A 831 11.443 41.501 78.566 1.00 99.34 N ATOM 1088 CA ASP A 831 12.052 42.858 78.621 1.00 99.90 C ATOM 1089 C ASP A 831 11.378 43.813 77.641 1.00 97.33 C ATOM 1090 O ASP A 831 10.168 44.016 77.704 1.00 92.62 O ATOM 1091 CB ASP A 831 13.557 42.795 78.324 1.00100.29 C ATOM 1092 H ASP A 831 11.748 40.850 77.814 1.00 0.00 H TER 1093 ASP A 831 HETATM 1094 O HOH 1 -1.183 24.494 70.426 1.00 46.93 O HETATM 1095 O HOH 2 -6.297 21.134 75.641 1.00 47.06 O HETATM 1096 O HOH 3 -10.156 18.713 84.032 1.00 61.52 O HETATM 1097 O HOH 4 -11.094 32.621 87.312 1.00 50.02 O HETATM 1098 O HOH 5 -9.001 33.581 71.822 1.00 35.72 O HETATM 1099 O HOH 6 -11.978 26.656 68.713 1.00 65.69 O HETATM 1100 O HOH 7 -5.764 35.922 77.213 1.00 33.24 O HETATM 1101 O HOH 8 -1.509 14.780 65.344 1.00 65.89 O HETATM 1102 O HOH 9 7.878 21.247 90.305 1.00 52.72 O HETATM 1103 O HOH 10 -2.880 24.935 68.254 1.00 50.30 O HETATM 1104 O HOH 11 -5.380 19.035 80.649 1.00 36.27 O HETATM 1105 O HOH 12 15.268 33.112 70.196 1.00 59.59 O HETATM 1106 O HOH 13 -17.353 33.026 69.413 1.00 53.50 O HETATM 1107 O HOH 14 -0.263 16.870 78.473 1.00 36.04 O HETATM 1108 O HOH 15 -4.334 22.078 77.086 1.00 39.41 O HETATM 1109 O HOH 16 -10.385 37.719 81.375 1.00 51.64 O HETATM 1110 O HOH 17 17.673 25.776 86.849 1.00 62.40 O HETATM 1111 O HOH 18 0.181 20.851 70.173 1.00 44.98 O HETATM 1112 O HOH 19 -3.629 21.200 79.744 1.00 34.22 O HETATM 1113 O HOH 20 7.516 15.798 79.630 1.00 50.78 O HETATM 1114 O HOH 21 -18.816 28.246 71.401 1.00 54.36 O HETATM 1115 O HOH 22 2.397 44.728 78.384 1.00 49.62 O HETATM 1116 O HOH 23 14.699 26.018 86.119 1.00 47.07 O HETATM 1117 O HOH 24 -2.811 19.969 76.042 1.00 37.05 O HETATM 1118 O HOH 25 -11.994 34.094 78.952 1.00 42.20 O HETATM 1119 O HOH 26 14.786 18.383 96.138 1.00 43.79 O HETATM 1120 O HOH 27 -7.676 32.456 91.153 1.00 50.11 O HETATM 1121 O HOH 28 -18.436 27.497 86.138 1.00 64.39 O HETATM 1122 O HOH 29 -2.957 17.064 77.835 1.00 46.01 O HETATM 1123 O HOH 30 -7.335 18.588 84.911 1.00 50.12 O HETATM 1124 O HOH 31 -14.887 32.844 75.570 1.00 55.45 O HETATM 1125 O HOH 32 -6.511 16.597 87.854 1.00 60.54 O HETATM 1126 O HOH 33 16.319 32.547 80.528 1.00 58.22 O HETATM 1127 O HOH 34 1.835 27.362 71.280 1.00 43.55 O HETATM 1128 O HOH 35 3.812 14.176 88.385 1.00 47.57 O HETATM 1129 O HOH 36 1.882 14.162 83.649 1.00 49.80 O HETATM 1130 O HOH 37 4.360 32.569 74.911 1.00 50.46 O HETATM 1131 O HOH 38 -4.583 12.084 83.220 1.00 56.24 O HETATM 1132 O HOH 39 -0.546 13.153 77.234 1.00 55.36 O HETATM 1133 O HOH 40 2.031 42.782 85.154 1.00 53.66 O HETATM 1134 O HOH 41 13.878 36.807 79.069 1.00 69.09 O HETATM 1135 O HOH 42 -18.809 24.538 78.422 1.00 55.90 O HETATM 1136 O HOH 43 13.694 23.761 85.601 1.00 40.16 O HETATM 1137 O HOH 44 -13.983 28.053 86.374 1.00 42.50 O HETATM 1138 O HOH 45 21.340 24.837 91.800 1.00 61.28 O HETATM 1139 O HOH 46 -12.428 33.787 76.234 1.00 41.64 O HETATM 1140 O HOH 47 -4.926 9.519 78.235 1.00 70.20 O HETATM 1141 O HOH 48 2.924 15.400 76.577 1.00 51.51 O HETATM 1142 O HOH 49 7.840 19.881 74.088 1.00 50.46 O HETATM 1143 O HOH 50 6.589 17.736 90.335 1.00 42.97 O HETATM 1144 O HOH 51 -10.254 36.176 79.211 1.00 39.20 O HETATM 1145 O HOH 52 -16.014 22.948 77.857 1.00 49.98 O HETATM 1146 O HOH 53 5.643 23.274 90.932 1.00 49.36 O HETATM 1147 O HOH 54 -4.855 38.804 85.227 1.00 52.45 O HETATM 1148 O HOH 55 11.595 16.416 76.626 1.00 50.16 O HETATM 1149 O HOH 56 2.501 23.048 69.453 1.00 56.63 O HETATM 1150 O HOH 57 9.230 14.898 93.010 1.00 50.65 O HETATM 1151 O HOH 58 -14.327 34.896 80.579 1.00 52.55 O HETATM 1152 CAA UNN A 59 -12.262 17.681 76.154 1.00 -0.13 C HETATM 1153 CAL UNN A 59 -11.273 18.330 76.918 1.00 -0.05 C HETATM 1154 CAI UNN A 59 -10.589 19.373 76.313 1.00 0.07 C HETATM 1155 CAN UNN A 59 -9.607 20.082 76.992 1.00 0.22 C HETATM 1156 OAD UNN A 59 -9.039 20.996 76.404 1.00 -0.38 O HETATM 1157 NAQ UNN A 59 -9.290 19.783 78.264 1.00 -0.22 N HETATM 1158 CAB UNN A 59 -8.209 20.600 78.925 1.00 0.05 C HETATM 1159 H5 UNN A 59 -7.837 21.356 78.218 1.00 0.06 H HETATM 1160 H6 UNN A 59 -7.382 19.940 79.225 1.00 0.06 H HETATM 1161 H7 UNN A 59 -8.620 21.101 79.814 1.00 0.06 H HETATM 1162 CAP UNN A 59 -9.943 18.758 78.912 1.00 0.07 C HETATM 1163 CAJ UNN A 59 -9.632 18.414 80.243 1.00 -0.02 C HETATM 1164 CAM UNN A 59 -10.282 17.374 80.901 1.00 0.05 C HETATM 1165 CAG UNN A 59 -11.271 16.654 80.251 1.00 -0.05 C HETATM 1166 CAH UNN A 59 -11.602 16.964 78.941 1.00 -0.08 C HETATM 1167 CAO UNN A 59 -10.950 18.007 78.251 1.00 -0.01 C HETATM 1168 H9 UNN A 59 -12.376 16.395 78.438 1.00 0.06 H HETATM 1169 H10 UNN A 59 -11.785 15.850 80.766 1.00 0.04 H HETATM 1170 NAK UNN A 59 -9.961 17.080 82.162 1.00 -0.19 N HETATM 1171 SAR UNN A 59 -8.713 15.958 82.456 1.00 0.06 S HETATM 1172 OAE UNN A 59 -8.909 14.722 81.576 1.00 -0.15 O HETATM 1173 OAF UNN A 59 -7.336 16.567 82.171 1.00 -0.15 O HETATM 1174 CAC UNN A 59 -8.794 15.568 84.195 1.00 0.08 C HETATM 1175 H12 UNN A 59 -8.006 14.842 84.445 1.00 0.05 H HETATM 1176 H13 UNN A 59 -9.778 15.135 84.428 1.00 0.05 H HETATM 1177 H14 UNN A 59 -8.648 16.486 84.784 1.00 0.05 H HETATM 1178 H11 UNN A 59 -10.445 17.512 82.923 1.00 0.22 H HETATM 1179 H8 UNN A 59 -8.867 18.974 80.768 1.00 0.04 H HETATM 1180 H3 UNN A 59 -11.349 20.108 76.008 1.00 0.07 H HETATM 1181 H4 UNN A 59 -10.107 18.952 75.419 1.00 0.07 H HETATM 1182 H1 UNN A 59 -12.449 17.993 75.128 1.00 0.01 H HETATM 1183 H2 UNN A 59 -12.839 16.867 76.590 1.00 0.01 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1152 1153 1182 1183 CONECT 1153 1152 1154 1167 CONECT 1154 1153 1155 1180 1181 CONECT 1155 1154 1156 1157 CONECT 1156 1155 CONECT 1157 1155 1158 1162 CONECT 1158 1157 1159 1160 1161 CONECT 1159 1158 CONECT 1160 1158 CONECT 1161 1158 CONECT 1162 1157 1163 1167 CONECT 1163 1162 1164 1179 CONECT 1164 1163 1165 1170 CONECT 1165 1164 1166 1169 CONECT 1166 1165 1167 1168 CONECT 1167 1153 1162 1166 CONECT 1168 1166 CONECT 1169 1165 CONECT 1170 1164 1171 1178 CONECT 1171 1170 1172 1173 1174 CONECT 1172 1171 CONECT 1173 1171 CONECT 1174 1171 1175 1176 1177 CONECT 1175 1174 CONECT 1176 1174 CONECT 1177 1174 CONECT 1178 1170 CONECT 1179 1163 CONECT 1180 1154 CONECT 1181 1154 CONECT 1182 1152 CONECT 1183 1152 MASTER 0 0 0 0 0 0 0 0 1182 1 36 9 END
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Related entries of code: 5fe9
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Protein Sequence Similarity
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119aa, >5FE7_1|Chains... at 100%
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RCSB PDB
PDBbind
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PDBbind
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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
5fe9
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human PCAF bromodomain
Ligand Name
5WS
EC.Number
E.C.2.3.1.48
Resolution
2.35(Å)
Affinity (Kd/Ki/IC50)
Kd=20.98uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 1648-1653
Ligand Properties
Formula
C
1
2
H
1
4
N
2
O
3
S
Molecular Weight
266.316
Exact Mass
266.073
No. of atoms
32
No. of bonds
33
Polar Surface Area
74.86
LOGP Value
0.32 (
Computed with XLOGP3
)
2.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
O=C1CC(=C)c2c(N1C)cc(cc2)NS(=O)(=O)C
InChI String
InChI=1S/C12H14N2O3S/c1-8-6-12(15)14(2)11-7-9(4-5-10(8)11)13-18(3,16)17/h4-5,7,13H,1,6H2,2-3H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q92831
Entrez Gene ID
NCBI Entrez Gene ID:
8850
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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