Browse entries in the PDBbind-CN Database
HEADER 6CWI_COMPLEX COMPND 6CWI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 165 ALA LYS THR THR GLN GLU LYS PHE ASP ALA LEU LYS GLU SEQRES 2 A 165 ALA GLY VAL PHE SER GLY TYR PRO GLY THR THR ASP ALA SEQRES 3 A 165 LYS LEU GLY GLN ASP MET THR ARG ALA GLU PHE ALA LYS SEQRES 4 A 165 VAL LEU VAL LYS LEU PHE GLY LEU LYS GLU ILE HIS GLY SEQRES 5 A 165 GLN TYR SER TYR LYS ASP LYS ASN TYR ASP ALA LYS ASN SEQRES 6 A 165 TRP ALA ALA PRO PHE ILE GLU ALA VAL THR ALA GLU GLY SEQRES 7 A 165 LEU MET GLN GLY LYS ASP LEU THR LYS LYS ILE PHE ASP SEQRES 8 A 165 PHE ASN GLY LYS ILE THR VAL GLU GLU ALA SER LYS THR SEQRES 9 A 165 LEU VAL THR ALA LEU LYS LEU GLU PRO VAL LYS ASP ALA SEQRES 10 A 165 GLN ASN LYS ALA THR ASP TRP ALA LYS GLY TYR PHE GLU SEQRES 11 A 165 ALA ALA VAL ASN ALA GLY LEU PHE SER LYS ASP ALA ASN SEQRES 12 A 165 PRO LYS ALA ASN ALA THR ARG ALA GLN LEU VAL GLU ALA SEQRES 13 A 165 ALA PHE ALA ALA ASP GLU MET SER LYS HET UNN A 240 39 ATOM 1 N ALA A 28 6.442 23.005 130.419 1.00 56.30 N ATOM 2 CA ALA A 28 7.079 21.659 130.303 1.00 54.19 C ATOM 3 C ALA A 28 6.926 21.123 128.861 1.00 52.87 C ATOM 4 O ALA A 28 5.870 21.222 128.246 1.00 59.63 O ATOM 5 CB ALA A 28 6.529 20.687 131.350 1.00 53.46 C ATOM 6 HN3 ALA A 28 5.431 22.930 130.187 1.00 0.00 H ATOM 7 HN2 ALA A 28 6.902 23.663 129.758 1.00 0.00 H ATOM 8 HN1 ALA A 28 6.551 23.356 131.392 1.00 0.00 H ATOM 9 N LYS A 29 7.971 20.454 128.407 1.00 47.82 N ATOM 10 CA LYS A 29 8.633 20.700 127.150 1.00 45.06 C ATOM 11 C LYS A 29 8.994 19.370 126.544 1.00 40.06 C ATOM 12 O LYS A 29 9.439 18.497 127.225 1.00 36.61 O ATOM 13 CB LYS A 29 9.879 21.423 127.578 1.00 46.60 C ATOM 14 CG LYS A 29 10.660 22.076 126.475 1.00 49.97 C ATOM 15 CD LYS A 29 12.040 22.471 126.950 1.00 51.72 C ATOM 16 CE LYS A 29 12.541 23.741 126.279 1.00 54.97 C ATOM 17 NZ LYS A 29 11.799 24.951 126.760 1.00 57.88 N ATOM 18 HZ1 LYS A 29 10.787 24.844 126.545 1.00 0.00 H ATOM 19 HZ2 LYS A 29 11.928 25.050 127.787 1.00 0.00 H ATOM 20 HZ3 LYS A 29 12.169 25.796 126.280 1.00 0.00 H ATOM 21 H LYS A 29 8.346 19.689 129.004 1.00 0.00 H ATOM 22 N THR A 30 8.712 19.158 125.276 1.00 39.23 N ATOM 23 CA THR A 30 8.902 17.828 124.704 1.00 36.62 C ATOM 24 C THR A 30 10.403 17.461 124.570 1.00 34.30 C ATOM 25 O THR A 30 11.293 18.316 124.651 1.00 35.01 O ATOM 26 CB THR A 30 8.265 17.781 123.317 1.00 38.10 C ATOM 27 OG1 THR A 30 8.922 18.740 122.479 1.00 39.82 O ATOM 28 CG2 THR A 30 6.800 18.112 123.383 1.00 39.96 C ATOM 29 HG1 THR A 30 8.517 18.719 121.576 1.00 0.00 H ATOM 30 H THR A 30 8.355 19.935 124.684 1.00 0.00 H ATOM 31 N THR A 31 10.687 16.195 124.323 1.00 31.70 N ATOM 32 CA THR A 31 12.039 15.774 124.002 1.00 29.70 C ATOM 33 C THR A 31 12.656 16.544 122.799 1.00 30.73 C ATOM 34 O THR A 31 13.823 16.951 122.830 1.00 28.84 O ATOM 35 CB THR A 31 12.073 14.248 123.746 1.00 28.73 C ATOM 36 OG1 THR A 31 11.578 13.566 124.905 1.00 28.13 O ATOM 37 CG2 THR A 31 13.483 13.776 123.487 1.00 28.34 C ATOM 38 HG1 THR A 31 12.148 13.786 125.684 1.00 0.00 H ATOM 39 H THR A 31 9.927 15.486 124.359 1.00 0.00 H ATOM 40 N GLN A 32 11.875 16.739 121.748 1.00 32.96 N ATOM 41 CA GLN A 32 12.324 17.499 120.580 1.00 35.66 C ATOM 42 C GLN A 32 12.635 18.937 120.988 1.00 36.18 C ATOM 43 O GLN A 32 13.653 19.492 120.563 1.00 36.75 O ATOM 44 CB GLN A 32 11.269 17.482 119.452 1.00 39.40 C ATOM 45 CG GLN A 32 11.604 18.330 118.206 1.00 42.51 C ATOM 46 CD GLN A 32 12.745 17.759 117.349 1.00 44.40 C ATOM 47 OE1 GLN A 32 12.677 16.630 116.866 1.00 45.99 O ATOM 48 NE2 GLN A 32 13.816 18.547 117.166 1.00 46.26 N ATOM 49 HE22 GLN A 32 13.841 19.497 117.589 1.00 0.00 H ATOM 50 HE21 GLN A 32 14.621 18.208 116.601 1.00 0.00 H ATOM 51 H GLN A 32 10.914 16.341 121.752 1.00 0.00 H ATOM 52 N GLU A 33 11.798 19.533 121.818 1.00 36.12 N ATOM 53 CA GLU A 33 12.061 20.881 122.290 1.00 37.77 C ATOM 54 C GLU A 33 13.297 20.981 123.182 1.00 37.10 C ATOM 55 O GLU A 33 13.972 22.022 123.181 1.00 39.59 O ATOM 56 CB GLU A 33 10.830 21.465 123.006 1.00 39.61 C ATOM 57 CG GLU A 33 9.800 22.033 122.012 1.00 42.98 C ATOM 58 CD GLU A 33 8.385 22.152 122.554 1.00 44.80 C ATOM 59 OE1 GLU A 33 8.163 21.967 123.779 1.00 44.15 O ATOM 60 OE2 GLU A 33 7.495 22.440 121.709 1.00 49.01 O ATOM 61 H GLU A 33 10.944 19.033 122.136 1.00 0.00 H ATOM 62 N LYS A 34 13.602 19.923 123.937 1.00 33.56 N ATOM 63 CA LYS A 34 14.800 19.922 124.769 1.00 31.97 C ATOM 64 C LYS A 34 16.048 19.834 123.895 1.00 31.71 C ATOM 65 O LYS A 34 17.038 20.504 124.145 1.00 30.56 O ATOM 66 CB LYS A 34 14.768 18.770 125.754 1.00 29.55 C ATOM 67 CG LYS A 34 13.681 18.954 126.792 1.00 30.40 C ATOM 68 CD LYS A 34 13.625 17.764 127.733 1.00 28.83 C ATOM 69 CE LYS A 34 12.625 18.045 128.819 1.00 29.83 C ATOM 70 NZ LYS A 34 12.570 16.862 129.697 1.00 28.35 N ATOM 71 HZ1 LYS A 34 12.277 16.033 129.142 1.00 0.00 H ATOM 72 HZ2 LYS A 34 13.511 16.692 130.107 1.00 0.00 H ATOM 73 HZ3 LYS A 34 11.883 17.030 130.460 1.00 0.00 H ATOM 74 H LYS A 34 12.979 19.091 123.932 1.00 0.00 H ATOM 75 N PHE A 35 15.964 18.981 122.882 1.00 32.37 N ATOM 76 CA PHE A 35 16.955 18.910 121.848 1.00 34.22 C ATOM 77 C PHE A 35 17.135 20.232 121.114 1.00 36.54 C ATOM 78 O PHE A 35 18.232 20.624 120.846 1.00 37.53 O ATOM 79 CB PHE A 35 16.586 17.865 120.810 1.00 34.84 C ATOM 80 CG PHE A 35 17.553 17.806 119.694 1.00 35.91 C ATOM 81 CD1 PHE A 35 18.743 17.098 119.839 1.00 34.54 C ATOM 82 CD2 PHE A 35 17.300 18.487 118.489 1.00 39.44 C ATOM 83 CE1 PHE A 35 19.663 17.046 118.808 1.00 36.11 C ATOM 84 CE2 PHE A 35 18.218 18.435 117.445 1.00 39.78 C ATOM 85 CZ PHE A 35 19.406 17.720 117.618 1.00 38.68 C ATOM 86 H PHE A 35 15.147 18.339 122.836 1.00 0.00 H ATOM 87 N ASP A 36 16.057 20.898 120.755 1.00 38.84 N ATOM 88 CA ASP A 36 16.187 22.218 120.148 1.00 41.43 C ATOM 89 C ASP A 36 16.956 23.183 121.061 1.00 41.83 C ATOM 90 O ASP A 36 17.776 23.979 120.574 1.00 43.62 O ATOM 91 CB ASP A 36 14.824 22.810 119.828 1.00 43.04 C ATOM 92 CG ASP A 36 14.117 22.085 118.692 1.00 44.05 C ATOM 93 OD1 ASP A 36 14.833 21.386 117.906 1.00 43.91 O ATOM 94 OD2 ASP A 36 12.841 22.224 118.605 1.00 43.93 O ATOM 95 H ASP A 36 15.115 20.484 120.904 1.00 0.00 H ATOM 96 N ALA A 37 16.668 23.149 122.358 1.00 40.33 N ATOM 97 CA ALA A 37 17.354 24.036 123.307 1.00 41.77 C ATOM 98 C ALA A 37 18.818 23.646 123.457 1.00 42.62 C ATOM 99 O ALA A 37 19.701 24.521 123.496 1.00 44.29 O ATOM 100 CB ALA A 37 16.682 24.038 124.666 1.00 40.66 C ATOM 101 H ALA A 37 15.947 22.485 122.706 1.00 0.00 H ATOM 102 N LEU A 38 19.085 22.344 123.557 1.00 41.92 N ATOM 103 CA LEU A 38 20.452 21.893 123.732 1.00 41.87 C ATOM 104 C LEU A 38 21.282 22.144 122.479 1.00 44.05 C ATOM 105 O LEU A 38 22.458 22.486 122.565 1.00 42.79 O ATOM 106 CB LEU A 38 20.503 20.422 124.128 1.00 40.51 C ATOM 107 CG LEU A 38 20.036 20.154 125.559 1.00 40.63 C ATOM 108 CD1 LEU A 38 19.838 18.660 125.805 1.00 39.42 C ATOM 109 CD2 LEU A 38 21.031 20.715 126.571 1.00 41.26 C ATOM 110 H LEU A 38 18.312 21.650 123.509 1.00 0.00 H ATOM 111 N LYS A 39 20.671 21.965 121.317 1.00 45.19 N ATOM 112 CA LYS A 39 21.334 22.253 120.041 1.00 48.23 C ATOM 113 C LYS A 39 21.688 23.725 119.934 1.00 51.41 C ATOM 114 O LYS A 39 22.793 24.051 119.546 1.00 51.62 O ATOM 115 CB LYS A 39 20.428 21.861 118.885 1.00 50.08 C ATOM 116 CG LYS A 39 20.929 22.201 117.494 1.00 53.20 C ATOM 117 CD LYS A 39 19.927 21.691 116.471 1.00 56.20 C ATOM 118 CE LYS A 39 19.745 22.631 115.298 1.00 62.05 C ATOM 119 NZ LYS A 39 21.036 22.846 114.599 1.00 64.40 N ATOM 120 HZ1 LYS A 39 21.723 23.260 115.261 1.00 0.00 H ATOM 121 HZ2 LYS A 39 21.396 21.935 114.250 1.00 0.00 H ATOM 122 HZ3 LYS A 39 20.891 23.493 113.798 1.00 0.00 H ATOM 123 H LYS A 39 19.693 21.610 121.310 1.00 0.00 H ATOM 124 N GLU A 40 20.741 24.596 120.272 1.00 54.09 N ATOM 125 CA GLU A 40 20.984 26.039 120.356 1.00 57.39 C ATOM 126 C GLU A 40 22.167 26.419 121.207 1.00 55.08 C ATOM 127 O GLU A 40 22.912 27.314 120.870 1.00 57.51 O ATOM 128 CB GLU A 40 19.801 26.765 121.019 1.00 61.22 C ATOM 129 CG GLU A 40 18.994 27.691 120.139 1.00 68.10 C ATOM 130 CD GLU A 40 19.839 28.822 119.552 1.00 73.78 C ATOM 131 OE1 GLU A 40 20.592 29.455 120.326 1.00 74.13 O ATOM 132 OE2 GLU A 40 19.741 29.082 118.318 1.00 79.98 O ATOM 133 H GLU A 40 19.788 24.238 120.486 1.00 0.00 H ATOM 134 N ALA A 41 22.297 25.784 122.354 1.00 51.67 N ATOM 135 CA ALA A 41 23.410 26.062 123.260 1.00 49.47 C ATOM 136 C ALA A 41 24.689 25.316 122.858 1.00 46.98 C ATOM 137 O ALA A 41 25.551 25.130 123.674 1.00 49.29 O ATOM 138 CB ALA A 41 23.001 25.696 124.680 1.00 47.54 C ATOM 139 H ALA A 41 21.591 25.068 122.621 1.00 0.00 H ATOM 140 N GLY A 42 24.788 24.848 121.619 1.00 46.25 N ATOM 141 CA GLY A 42 25.953 24.118 121.126 1.00 45.11 C ATOM 142 C GLY A 42 26.261 22.760 121.734 1.00 42.34 C ATOM 143 O GLY A 42 27.324 22.206 121.468 1.00 42.90 O ATOM 144 H GLY A 42 23.995 25.010 120.966 1.00 0.00 H ATOM 145 N VAL A 43 25.362 22.207 122.551 1.00 39.87 N ATOM 146 CA VAL A 43 25.656 20.956 123.238 1.00 37.82 C ATOM 147 C VAL A 43 25.516 19.773 122.271 1.00 39.47 C ATOM 148 O VAL A 43 26.389 18.884 122.209 1.00 39.18 O ATOM 149 CB VAL A 43 24.841 20.833 124.521 1.00 35.92 C ATOM 150 CG1 VAL A 43 25.193 19.566 125.277 1.00 33.35 C ATOM 151 CG2 VAL A 43 25.078 22.057 125.398 1.00 37.29 C ATOM 152 H VAL A 43 24.444 22.673 122.699 1.00 0.00 H ATOM 153 N PHE A 44 24.459 19.818 121.464 1.00 42.17 N ATOM 154 CA PHE A 44 24.161 18.790 120.458 1.00 44.89 C ATOM 155 C PHE A 44 24.259 19.483 119.083 1.00 50.18 C ATOM 156 O PHE A 44 24.186 20.718 119.004 1.00 52.69 O ATOM 157 CB PHE A 44 22.744 18.223 120.664 1.00 43.72 C ATOM 158 CG PHE A 44 22.627 17.152 121.742 1.00 41.44 C ATOM 159 CD1 PHE A 44 22.401 17.504 123.068 1.00 40.40 C ATOM 160 CD2 PHE A 44 22.661 15.793 121.423 1.00 41.41 C ATOM 161 CE1 PHE A 44 22.267 16.537 124.058 1.00 39.59 C ATOM 162 CE2 PHE A 44 22.489 14.814 122.405 1.00 40.47 C ATOM 163 CZ PHE A 44 22.310 15.188 123.732 1.00 38.92 C ATOM 164 H PHE A 44 23.809 20.625 121.550 1.00 0.00 H ATOM 165 N SER A 45 24.403 18.698 118.011 1.00 53.32 N ATOM 166 CA SER A 45 24.625 19.224 116.642 1.00 57.01 C ATOM 167 C SER A 45 23.695 18.689 115.525 1.00 59.06 C ATOM 168 O SER A 45 23.477 19.381 114.526 1.00 67.33 O ATOM 169 CB SER A 45 26.104 18.990 116.231 1.00 59.36 C ATOM 170 OG SER A 45 26.392 19.486 114.917 1.00 60.81 O ATOM 171 HG SER A 45 25.815 19.025 114.258 1.00 0.00 H ATOM 172 H SER A 45 24.357 17.667 118.143 1.00 0.00 H ATOM 173 N GLY A 46 23.171 17.475 115.656 1.00 55.20 N ATOM 174 CA GLY A 46 22.419 16.844 114.570 1.00 56.12 C ATOM 175 C GLY A 46 23.336 16.200 113.545 1.00 57.77 C ATOM 176 O GLY A 46 24.521 15.985 113.810 1.00 57.94 O ATOM 177 H GLY A 46 23.298 16.961 116.551 1.00 0.00 H ATOM 178 N TYR A 47 22.781 15.905 112.379 1.00 58.88 N ATOM 179 CA TYR A 47 23.480 15.203 111.324 1.00 61.81 C ATOM 180 C TYR A 47 23.520 16.074 110.063 1.00 68.66 C ATOM 181 O TYR A 47 22.618 16.875 109.847 1.00 69.94 O ATOM 182 CB TYR A 47 22.744 13.901 110.961 1.00 61.60 C ATOM 183 CG TYR A 47 22.681 12.856 112.035 1.00 57.53 C ATOM 184 CD1 TYR A 47 21.705 12.908 113.015 1.00 54.44 C ATOM 185 CD2 TYR A 47 23.574 11.791 112.047 1.00 56.71 C ATOM 186 CE1 TYR A 47 21.631 11.947 114.004 1.00 51.12 C ATOM 187 CE2 TYR A 47 23.507 10.824 113.022 1.00 54.04 C ATOM 188 CZ TYR A 47 22.523 10.908 113.997 1.00 51.27 C ATOM 189 OH TYR A 47 22.450 9.946 114.965 1.00 46.35 O ATOM 190 HH TYR A 47 21.700 10.152 115.577 1.00 0.00 H ATOM 191 H TYR A 47 21.795 16.192 112.214 1.00 0.00 H ATOM 192 N PRO A 48 24.548 15.896 109.203 1.00 73.46 N ATOM 193 CA PRO A 48 24.644 16.601 107.902 1.00 78.41 C ATOM 194 C PRO A 48 23.483 16.364 106.905 1.00 80.76 C ATOM 195 O PRO A 48 22.883 15.279 106.863 1.00 87.50 O ATOM 196 CB PRO A 48 25.959 16.071 107.303 1.00 79.40 C ATOM 197 CG PRO A 48 26.755 15.579 108.463 1.00 75.42 C ATOM 198 CD PRO A 48 25.762 15.106 109.491 1.00 72.43 C ATOM 199 N GLY A 49 23.157 17.389 106.132 1.00 80.52 N ATOM 200 CA GLY A 49 22.124 17.285 105.105 1.00 84.55 C ATOM 201 C GLY A 49 20.691 17.187 105.583 1.00 82.70 C ATOM 202 O GLY A 49 19.793 16.967 104.774 1.00 87.85 O ATOM 203 H GLY A 49 23.651 18.295 106.260 1.00 0.00 H ATOM 204 N THR A 50 20.461 17.368 106.885 1.00 81.63 N ATOM 205 CA THR A 50 19.126 17.212 107.476 1.00 78.87 C ATOM 206 C THR A 50 18.999 17.940 108.833 1.00 74.20 C ATOM 207 O THR A 50 19.963 18.040 109.581 1.00 72.46 O ATOM 208 CB THR A 50 18.756 15.714 107.606 1.00 76.02 C ATOM 209 OG1 THR A 50 17.361 15.599 107.848 1.00 74.19 O ATOM 210 CG2 THR A 50 19.550 15.017 108.710 1.00 72.50 C ATOM 211 HG1 THR A 50 17.120 14.643 107.932 1.00 0.00 H ATOM 212 H THR A 50 21.256 17.629 107.503 1.00 0.00 H ATOM 213 N THR A 51 17.820 18.502 109.098 1.00 73.38 N ATOM 214 CA THR A 51 17.504 19.107 110.401 1.00 72.53 C ATOM 215 C THR A 51 16.916 18.061 111.363 1.00 66.77 C ATOM 216 O THR A 51 16.543 18.390 112.472 1.00 64.65 O ATOM 217 CB THR A 51 16.502 20.280 110.266 1.00 75.27 C ATOM 218 OG1 THR A 51 15.392 19.885 109.449 1.00 72.99 O ATOM 219 CG2 THR A 51 17.179 21.508 109.659 1.00 78.80 C ATOM 220 HG1 THR A 51 14.758 20.641 109.369 1.00 0.00 H ATOM 221 H THR A 51 17.094 18.513 108.353 1.00 0.00 H ATOM 222 N ASP A 52 16.857 16.814 110.910 1.00 65.74 N ATOM 223 CA ASP A 52 16.337 15.674 111.670 1.00 63.62 C ATOM 224 C ASP A 52 17.167 15.376 112.935 1.00 58.31 C ATOM 225 O ASP A 52 18.392 15.169 112.836 1.00 56.08 O ATOM 226 CB ASP A 52 16.390 14.442 110.759 1.00 65.93 C ATOM 227 CG ASP A 52 15.276 13.474 111.004 1.00 68.82 C ATOM 228 OD1 ASP A 52 15.111 12.966 112.159 1.00 69.03 O ATOM 229 OD2 ASP A 52 14.552 13.236 110.002 1.00 71.58 O ATOM 230 H ASP A 52 17.205 16.634 109.947 1.00 0.00 H ATOM 231 N ALA A 53 16.500 15.335 114.094 1.00 51.32 N ATOM 232 CA ALA A 53 17.180 15.035 115.348 1.00 49.02 C ATOM 233 C ALA A 53 17.518 13.543 115.491 1.00 46.28 C ATOM 234 O ALA A 53 18.474 13.195 116.173 1.00 44.59 O ATOM 235 CB ALA A 53 16.367 15.515 116.553 1.00 47.11 C ATOM 236 H ALA A 53 15.477 15.521 114.100 1.00 0.00 H ATOM 237 N LYS A 54 16.737 12.676 114.852 1.00 46.20 N ATOM 238 CA LYS A 54 16.933 11.220 114.932 1.00 45.57 C ATOM 239 C LYS A 54 17.036 10.624 116.361 1.00 42.24 C ATOM 240 O LYS A 54 17.946 9.836 116.686 1.00 39.98 O ATOM 241 CB LYS A 54 18.140 10.813 114.134 1.00 47.68 C ATOM 242 CG LYS A 54 18.195 11.408 112.734 1.00 52.39 C ATOM 243 CD LYS A 54 18.633 10.369 111.723 1.00 56.02 C ATOM 244 CE LYS A 54 19.349 10.996 110.526 1.00 60.63 C ATOM 245 NZ LYS A 54 19.175 10.130 109.324 1.00 61.72 N ATOM 246 HZ1 LYS A 54 19.579 9.190 109.514 1.00 0.00 H ATOM 247 HZ2 LYS A 54 18.162 10.036 109.109 1.00 0.00 H ATOM 248 HZ3 LYS A 54 19.664 10.561 108.514 1.00 0.00 H ATOM 249 H LYS A 54 15.956 13.043 114.272 1.00 0.00 H ATOM 250 N LEU A 55 16.062 10.988 117.179 1.00 39.32 N ATOM 251 CA LEU A 55 16.048 10.664 118.609 1.00 37.54 C ATOM 252 C LEU A 55 15.999 9.172 118.913 1.00 37.11 C ATOM 253 O LEU A 55 16.208 8.779 120.044 1.00 35.14 O ATOM 254 CB LEU A 55 14.861 11.353 119.290 1.00 37.03 C ATOM 255 CG LEU A 55 14.715 12.864 119.004 1.00 38.79 C ATOM 256 CD1 LEU A 55 13.479 13.453 119.658 1.00 38.54 C ATOM 257 CD2 LEU A 55 15.973 13.599 119.465 1.00 38.97 C ATOM 258 H LEU A 55 15.266 11.531 116.788 1.00 0.00 H ATOM 259 N GLY A 56 15.691 8.345 117.907 1.00 38.80 N ATOM 260 CA GLY A 56 15.672 6.886 118.071 1.00 37.81 C ATOM 261 C GLY A 56 17.027 6.263 117.789 1.00 38.03 C ATOM 262 O GLY A 56 17.250 5.070 118.021 1.00 36.92 O ATOM 263 H GLY A 56 15.457 8.749 116.978 1.00 0.00 H ATOM 264 N GLN A 57 17.969 7.077 117.356 1.00 39.59 N ATOM 265 CA GLN A 57 19.317 6.555 117.083 1.00 42.45 C ATOM 266 C GLN A 57 20.215 6.529 118.327 1.00 39.31 C ATOM 267 O GLN A 57 19.929 7.184 119.325 1.00 35.51 O ATOM 268 CB GLN A 57 19.976 7.384 116.006 1.00 46.24 C ATOM 269 CG GLN A 57 19.163 7.464 114.731 1.00 52.73 C ATOM 270 CD GLN A 57 19.800 6.679 113.627 1.00 60.64 C ATOM 271 OE1 GLN A 57 20.545 7.239 112.802 1.00 69.56 O ATOM 272 NE2 GLN A 57 19.564 5.370 113.621 1.00 62.80 N ATOM 273 HE22 GLN A 57 18.932 4.952 114.334 1.00 0.00 H ATOM 274 HE21 GLN A 57 20.011 4.764 112.903 1.00 0.00 H ATOM 275 H GLN A 57 17.760 8.085 117.208 1.00 0.00 H ATOM 276 N ASP A 58 21.282 5.741 118.213 1.00 38.89 N ATOM 277 CA ASP A 58 22.330 5.617 119.204 1.00 38.59 C ATOM 278 C ASP A 58 23.363 6.763 119.082 1.00 38.15 C ATOM 279 O ASP A 58 23.215 7.667 118.250 1.00 35.97 O ATOM 280 CB ASP A 58 23.063 4.283 118.997 1.00 43.03 C ATOM 281 CG ASP A 58 22.228 3.074 119.346 1.00 46.51 C ATOM 282 OD1 ASP A 58 21.234 3.206 120.113 1.00 50.19 O ATOM 283 OD2 ASP A 58 22.605 1.968 118.872 1.00 48.22 O ATOM 284 H ASP A 58 21.369 5.172 117.347 1.00 0.00 H ATOM 285 N MET A 59 24.423 6.667 119.902 1.00 35.56 N ATOM 286 CA MET A 59 25.479 7.665 119.977 1.00 34.63 C ATOM 287 C MET A 59 26.776 6.986 120.372 1.00 32.93 C ATOM 288 O MET A 59 26.796 6.157 121.287 1.00 30.38 O ATOM 289 CB MET A 59 25.160 8.756 121.000 1.00 32.87 C ATOM 290 CG MET A 59 26.174 9.886 121.012 1.00 33.47 C ATOM 291 SD MET A 59 25.805 11.240 122.161 1.00 32.61 S ATOM 292 CE MET A 59 24.634 12.233 121.245 1.00 34.52 C ATOM 293 H MET A 59 24.493 5.832 120.518 1.00 0.00 H ATOM 294 N THR A 60 27.856 7.360 119.671 1.00 31.41 N ATOM 295 CA THR A 60 29.175 6.835 119.977 1.00 30.95 C ATOM 296 C THR A 60 29.745 7.516 121.208 1.00 29.29 C ATOM 297 O THR A 60 29.308 8.612 121.596 1.00 28.34 O ATOM 298 CB THR A 60 30.165 7.040 118.810 1.00 32.71 C ATOM 299 OG1 THR A 60 30.426 8.435 118.661 1.00 31.96 O ATOM 300 CG2 THR A 60 29.585 6.462 117.482 1.00 33.95 C ATOM 301 HG1 THR A 60 31.061 8.573 117.914 1.00 0.00 H ATOM 302 H THR A 60 27.747 8.040 118.892 1.00 0.00 H ATOM 303 N ARG A 61 30.684 6.823 121.854 1.00 28.80 N ATOM 304 CA ARG A 61 31.323 7.311 123.089 1.00 27.88 C ATOM 305 C ARG A 61 32.111 8.611 122.831 1.00 29.02 C ATOM 306 O ARG A 61 32.211 9.491 123.725 1.00 27.37 O ATOM 307 CB ARG A 61 32.224 6.225 123.718 1.00 27.69 C ATOM 308 CG ARG A 61 31.409 5.087 124.282 1.00 26.88 C ATOM 309 CD ARG A 61 32.165 3.815 124.660 1.00 27.29 C ATOM 310 NE ARG A 61 33.343 4.060 125.479 1.00 27.24 N ATOM 311 CZ ARG A 61 33.370 4.379 126.772 1.00 26.10 C ATOM 312 NH1 ARG A 61 32.230 4.523 127.464 1.00 25.37 N ATOM 313 NH2 ARG A 61 34.539 4.607 127.363 1.00 26.39 N ATOM 314 HE ARG A 61 34.264 3.977 125.003 1.00 0.00 H ATOM 315 HH12 ARG A 61 32.262 4.772 128.473 1.00 0.00 H ATOM 316 HH11 ARG A 61 31.314 4.385 126.991 1.00 0.00 H ATOM 317 HH22 ARG A 61 34.572 4.857 128.372 1.00 0.00 H ATOM 318 HH21 ARG A 61 35.421 4.536 126.816 1.00 0.00 H ATOM 319 H ARG A 61 30.977 5.902 121.471 1.00 0.00 H ATOM 320 N ALA A 62 32.633 8.722 121.602 1.00 30.76 N ATOM 321 CA ALA A 62 33.272 9.958 121.103 1.00 32.20 C ATOM 322 C ALA A 62 32.320 11.144 121.033 1.00 32.18 C ATOM 323 O ALA A 62 32.654 12.255 121.469 1.00 31.71 O ATOM 324 CB ALA A 62 33.855 9.713 119.706 1.00 34.30 C ATOM 325 H ALA A 62 32.586 7.899 120.968 1.00 0.00 H ATOM 326 N GLU A 63 31.145 10.905 120.472 1.00 32.46 N ATOM 327 CA GLU A 63 30.142 11.941 120.379 1.00 33.91 C ATOM 328 C GLU A 63 29.684 12.325 121.776 1.00 31.03 C ATOM 329 O GLU A 63 29.452 13.483 122.035 1.00 30.73 O ATOM 330 CB GLU A 63 28.947 11.451 119.555 1.00 37.27 C ATOM 331 CG GLU A 63 29.273 11.237 118.070 1.00 42.62 C ATOM 332 CD GLU A 63 28.192 10.477 117.280 1.00 47.71 C ATOM 333 OE1 GLU A 63 27.611 9.456 117.741 1.00 49.40 O ATOM 334 OE2 GLU A 63 27.918 10.907 116.152 1.00 52.95 O ATOM 335 H GLU A 63 30.941 9.958 120.093 1.00 0.00 H ATOM 336 N PHE A 64 29.549 11.351 122.674 1.00 29.37 N ATOM 337 CA PHE A 64 28.996 11.635 124.034 1.00 27.24 C ATOM 338 C PHE A 64 30.040 12.486 124.847 1.00 27.68 C ATOM 339 O PHE A 64 29.681 13.404 125.595 1.00 25.56 O ATOM 340 CB PHE A 64 28.589 10.357 124.781 1.00 25.63 C ATOM 341 CG PHE A 64 27.859 10.641 126.059 1.00 25.32 C ATOM 342 CD1 PHE A 64 26.644 11.331 126.031 1.00 25.48 C ATOM 343 CD2 PHE A 64 28.391 10.292 127.302 1.00 24.48 C ATOM 344 CE1 PHE A 64 25.990 11.677 127.218 1.00 25.40 C ATOM 345 CE2 PHE A 64 27.714 10.613 128.485 1.00 25.03 C ATOM 346 CZ PHE A 64 26.524 11.311 128.448 1.00 24.51 C ATOM 347 H PHE A 64 29.832 10.381 122.426 1.00 0.00 H ATOM 348 N ALA A 65 31.325 12.161 124.656 1.00 28.03 N ATOM 349 CA ALA A 65 32.396 12.913 125.282 1.00 28.50 C ATOM 350 C ALA A 65 32.265 14.384 124.892 1.00 29.22 C ATOM 351 O ALA A 65 32.379 15.271 125.744 1.00 29.01 O ATOM 352 CB ALA A 65 33.738 12.346 124.891 1.00 29.13 C ATOM 353 H ALA A 65 31.560 11.352 124.046 1.00 0.00 H ATOM 354 N LYS A 66 32.003 14.651 123.622 1.00 30.68 N ATOM 355 CA LYS A 66 31.795 16.026 123.232 1.00 33.39 C ATOM 356 C LYS A 66 30.620 16.647 123.946 1.00 32.27 C ATOM 357 O LYS A 66 30.702 17.744 124.487 1.00 32.20 O ATOM 358 CB LYS A 66 31.553 16.160 121.735 1.00 37.14 C ATOM 359 CG LYS A 66 31.144 17.593 121.409 1.00 40.62 C ATOM 360 CD LYS A 66 31.077 17.992 119.954 1.00 46.19 C ATOM 361 CE LYS A 66 31.865 17.131 118.982 1.00 50.50 C ATOM 362 NZ LYS A 66 31.984 17.749 117.608 1.00 55.35 N ATOM 363 HZ1 LYS A 66 31.034 17.889 117.209 1.00 0.00 H ATOM 364 HZ2 LYS A 66 32.468 18.666 117.683 1.00 0.00 H ATOM 365 HZ3 LYS A 66 32.531 17.116 116.991 1.00 0.00 H ATOM 366 H LYS A 66 31.948 13.886 122.919 1.00 0.00 H ATOM 367 N VAL A 67 29.498 15.937 123.916 1.00 31.07 N ATOM 368 CA VAL A 67 28.329 16.397 124.617 1.00 29.52 C ATOM 369 C VAL A 67 28.669 16.743 126.063 1.00 27.88 C ATOM 370 O VAL A 67 28.309 17.802 126.516 1.00 27.61 O ATOM 371 CB VAL A 67 27.138 15.367 124.543 1.00 28.71 C ATOM 372 CG1 VAL A 67 26.007 15.790 125.493 1.00 27.63 C ATOM 373 CG2 VAL A 67 26.615 15.232 123.114 1.00 28.88 C ATOM 374 H VAL A 67 29.464 15.044 123.383 1.00 0.00 H ATOM 375 N LEU A 68 29.391 15.877 126.763 1.00 27.49 N ATOM 376 CA LEU A 68 29.789 16.160 128.168 1.00 27.46 C ATOM 377 C LEU A 68 30.621 17.429 128.294 1.00 27.91 C ATOM 378 O LEU A 68 30.423 18.222 129.231 1.00 27.00 O ATOM 379 CB LEU A 68 30.599 15.023 128.768 1.00 26.62 C ATOM 380 CG LEU A 68 29.791 13.786 129.104 1.00 26.12 C ATOM 381 CD1 LEU A 68 30.741 12.627 129.397 1.00 25.36 C ATOM 382 CD2 LEU A 68 28.811 14.044 130.264 1.00 25.67 C ATOM 383 H LEU A 68 29.684 14.983 126.320 1.00 0.00 H ATOM 384 N VAL A 69 31.567 17.587 127.365 1.00 29.49 N ATOM 385 CA VAL A 69 32.419 18.768 127.328 1.00 31.29 C ATOM 386 C VAL A 69 31.575 20.024 127.219 1.00 32.84 C ATOM 387 O VAL A 69 31.769 20.980 127.980 1.00 32.57 O ATOM 388 CB VAL A 69 33.441 18.729 126.180 1.00 33.33 C ATOM 389 CG1 VAL A 69 34.005 20.129 125.892 1.00 34.98 C ATOM 390 CG2 VAL A 69 34.591 17.809 126.524 1.00 33.11 C ATOM 391 H VAL A 69 31.699 16.846 126.647 1.00 0.00 H ATOM 392 N LYS A 70 30.598 20.000 126.324 1.00 34.47 N ATOM 393 CA LYS A 70 29.738 21.183 126.117 1.00 37.08 C ATOM 394 C LYS A 70 28.756 21.357 127.245 1.00 36.53 C ATOM 395 O LYS A 70 28.490 22.470 127.670 1.00 38.15 O ATOM 396 CB LYS A 70 28.968 21.090 124.820 1.00 38.58 C ATOM 397 CG LYS A 70 29.794 20.814 123.578 1.00 40.84 C ATOM 398 CD LYS A 70 30.666 21.991 123.187 1.00 44.08 C ATOM 399 CE LYS A 70 31.182 21.732 121.772 1.00 47.02 C ATOM 400 NZ LYS A 70 31.978 22.867 121.211 1.00 50.93 N ATOM 401 HZ1 LYS A 70 31.385 23.721 121.176 1.00 0.00 H ATOM 402 HZ2 LYS A 70 32.804 23.042 121.818 1.00 0.00 H ATOM 403 HZ3 LYS A 70 32.296 22.625 120.251 1.00 0.00 H ATOM 404 H LYS A 70 30.435 19.140 125.762 1.00 0.00 H ATOM 405 N LEU A 71 28.247 20.237 127.758 1.00 35.01 N ATOM 406 CA LEU A 71 27.262 20.264 128.827 1.00 33.05 C ATOM 407 C LEU A 71 27.830 20.926 130.061 1.00 34.08 C ATOM 408 O LEU A 71 27.147 21.699 130.731 1.00 34.35 O ATOM 409 CB LEU A 71 26.829 18.850 129.166 1.00 31.54 C ATOM 410 CG LEU A 71 25.627 18.717 130.118 1.00 31.37 C ATOM 411 CD1 LEU A 71 24.487 19.650 129.737 1.00 31.70 C ATOM 412 CD2 LEU A 71 25.147 17.265 130.153 1.00 29.99 C ATOM 413 H LEU A 71 28.563 19.320 127.384 1.00 0.00 H ATOM 414 N PHE A 72 29.090 20.621 130.364 1.00 33.04 N ATOM 415 CA PHE A 72 29.679 21.118 131.582 1.00 33.33 C ATOM 416 C PHE A 72 30.731 22.230 131.381 1.00 34.89 C ATOM 417 O PHE A 72 31.323 22.683 132.347 1.00 36.35 O ATOM 418 CB PHE A 72 30.228 19.922 132.360 1.00 31.53 C ATOM 419 CG PHE A 72 29.147 19.004 132.831 1.00 31.34 C ATOM 420 CD1 PHE A 72 28.270 19.408 133.849 1.00 31.10 C ATOM 421 CD2 PHE A 72 28.943 17.768 132.218 1.00 29.85 C ATOM 422 CE1 PHE A 72 27.246 18.588 134.276 1.00 30.69 C ATOM 423 CE2 PHE A 72 27.941 16.938 132.647 1.00 28.53 C ATOM 424 CZ PHE A 72 27.085 17.344 133.668 1.00 29.62 C ATOM 425 H PHE A 72 29.649 20.024 129.722 1.00 0.00 H ATOM 426 N GLY A 73 30.943 22.672 130.150 1.00 35.60 N ATOM 427 CA GLY A 73 31.874 23.760 129.859 1.00 37.76 C ATOM 428 C GLY A 73 33.296 23.387 130.256 1.00 38.22 C ATOM 429 O GLY A 73 34.015 24.169 130.874 1.00 39.72 O ATOM 430 H GLY A 73 30.428 22.229 129.363 1.00 0.00 H ATOM 431 N LEU A 74 33.703 22.186 129.898 1.00 36.75 N ATOM 432 CA LEU A 74 35.042 21.773 130.140 1.00 36.97 C ATOM 433 C LEU A 74 35.863 22.341 129.010 1.00 38.74 C ATOM 434 O LEU A 74 35.346 22.604 127.926 1.00 37.04 O ATOM 435 CB LEU A 74 35.179 20.261 130.154 1.00 35.24 C ATOM 436 CG LEU A 74 34.230 19.524 131.087 1.00 34.01 C ATOM 437 CD1 LEU A 74 34.523 18.033 130.961 1.00 32.79 C ATOM 438 CD2 LEU A 74 34.368 20.012 132.523 1.00 34.48 C ATOM 439 H LEU A 74 33.039 21.534 129.434 1.00 0.00 H ATOM 440 N LYS A 75 37.147 22.555 129.325 1.00 41.68 N ATOM 441 CA LYS A 75 38.144 22.999 128.384 1.00 43.95 C ATOM 442 C LYS A 75 38.741 21.816 127.629 1.00 42.88 C ATOM 443 O LYS A 75 39.113 20.786 128.226 1.00 40.49 O ATOM 444 CB LYS A 75 39.259 23.757 129.105 1.00 47.83 C ATOM 445 CG LYS A 75 38.773 25.074 129.704 1.00 51.35 C ATOM 446 CD LYS A 75 39.927 25.989 130.093 1.00 55.02 C ATOM 447 CE LYS A 75 39.410 27.368 130.459 1.00 58.20 C ATOM 448 NZ LYS A 75 40.521 28.321 130.785 1.00 62.62 N ATOM 449 HZ1 LYS A 75 41.065 27.954 131.592 1.00 0.00 H ATOM 450 HZ2 LYS A 75 41.146 28.418 129.960 1.00 0.00 H ATOM 451 HZ3 LYS A 75 40.120 29.249 131.029 1.00 0.00 H ATOM 452 H LYS A 75 37.443 22.391 130.309 1.00 0.00 H ATOM 453 N GLU A 76 38.843 22.002 126.314 1.00 43.92 N ATOM 454 CA GLU A 76 39.439 21.019 125.401 1.00 44.62 C ATOM 455 C GLU A 76 40.938 20.876 125.608 1.00 46.11 C ATOM 456 O GLU A 76 41.607 21.821 126.024 1.00 47.32 O ATOM 457 CB GLU A 76 39.191 21.437 123.939 1.00 47.21 C ATOM 458 CG GLU A 76 37.723 21.725 123.623 1.00 47.33 C ATOM 459 CD GLU A 76 37.413 21.803 122.152 1.00 49.88 C ATOM 460 OE1 GLU A 76 38.227 21.349 121.303 1.00 52.00 O ATOM 461 OE2 GLU A 76 36.313 22.316 121.850 1.00 51.16 O ATOM 462 H GLU A 76 38.481 22.891 125.913 1.00 0.00 H ATOM 463 N ILE A 77 41.465 19.707 125.265 1.00 45.15 N ATOM 464 CA ILE A 77 42.860 19.394 125.442 1.00 45.72 C ATOM 465 C ILE A 77 43.426 18.887 124.125 1.00 48.20 C ATOM 466 O ILE A 77 43.184 17.728 123.742 1.00 47.75 O ATOM 467 CB ILE A 77 43.049 18.352 126.573 1.00 42.99 C ATOM 468 CG1 ILE A 77 42.434 18.887 127.870 1.00 41.12 C ATOM 469 CG2 ILE A 77 44.538 18.035 126.784 1.00 45.36 C ATOM 470 CD1 ILE A 77 42.871 18.182 129.150 1.00 40.03 C ATOM 471 H ILE A 77 40.843 18.984 124.850 1.00 0.00 H ATOM 472 N HIS A 78 44.182 19.767 123.451 1.00 51.23 N ATOM 473 CA HIS A 78 44.803 19.497 122.142 1.00 54.00 C ATOM 474 C HIS A 78 46.241 19.030 122.256 1.00 54.27 C ATOM 475 O HIS A 78 46.950 19.393 123.176 1.00 53.44 O ATOM 476 CB HIS A 78 44.824 20.766 121.292 1.00 58.20 C ATOM 477 CG HIS A 78 43.471 21.308 120.986 1.00 59.80 C ATOM 478 ND1 HIS A 78 42.769 20.960 119.844 1.00 61.30 N ATOM 479 CD2 HIS A 78 42.683 22.171 121.673 1.00 59.31 C ATOM 480 CE1 HIS A 78 41.606 21.593 119.842 1.00 60.14 C ATOM 481 NE2 HIS A 78 41.529 22.334 120.939 1.00 59.56 N ATOM 482 H HIS A 78 44.340 20.701 123.880 1.00 0.00 H ATOM 483 N GLY A 79 46.683 18.263 121.270 1.00 54.98 N ATOM 484 CA GLY A 79 48.080 17.842 121.211 1.00 56.53 C ATOM 485 C GLY A 79 48.404 16.777 122.239 1.00 55.18 C ATOM 486 O GLY A 79 49.576 16.530 122.542 1.00 56.66 O ATOM 487 H GLY A 79 46.024 17.956 120.526 1.00 0.00 H ATOM 488 N GLN A 80 47.363 16.135 122.779 1.00 52.67 N ATOM 489 CA GLN A 80 47.545 15.090 123.752 1.00 51.59 C ATOM 490 C GLN A 80 46.633 13.900 123.482 1.00 49.64 C ATOM 491 O GLN A 80 45.433 14.060 123.176 1.00 47.53 O ATOM 492 CB GLN A 80 47.293 15.627 125.137 1.00 51.95 C ATOM 493 CG GLN A 80 47.495 14.559 126.175 1.00 53.08 C ATOM 494 CD GLN A 80 47.707 15.096 127.576 1.00 56.80 C ATOM 495 OE1 GLN A 80 47.657 16.309 127.849 1.00 58.26 O ATOM 496 NE2 GLN A 80 47.994 14.170 128.486 1.00 59.75 N ATOM 497 HE22 GLN A 80 48.025 13.166 128.215 1.00 0.00 H ATOM 498 HE21 GLN A 80 48.187 14.449 129.469 1.00 0.00 H ATOM 499 H GLN A 80 46.399 16.397 122.489 1.00 0.00 H ATOM 500 N TYR A 81 47.231 12.720 123.640 1.00 48.96 N ATOM 501 CA TYR A 81 46.635 11.452 123.297 1.00 47.43 C ATOM 502 C TYR A 81 46.973 10.471 124.409 1.00 46.96 C ATOM 503 O TYR A 81 48.090 10.051 124.536 1.00 49.03 O ATOM 504 CB TYR A 81 47.156 11.010 121.910 1.00 49.58 C ATOM 505 CG TYR A 81 46.999 12.165 120.970 1.00 50.18 C ATOM 506 CD1 TYR A 81 45.747 12.553 120.540 1.00 48.52 C ATOM 507 CD2 TYR A 81 48.082 12.938 120.600 1.00 52.48 C ATOM 508 CE1 TYR A 81 45.573 13.660 119.734 1.00 49.53 C ATOM 509 CE2 TYR A 81 47.930 14.048 119.789 1.00 53.42 C ATOM 510 CZ TYR A 81 46.677 14.404 119.368 1.00 52.40 C ATOM 511 OH TYR A 81 46.558 15.514 118.589 1.00 54.20 O ATOM 512 HH TYR A 81 45.605 15.654 118.359 1.00 0.00 H ATOM 513 H TYR A 81 48.192 12.713 124.037 1.00 0.00 H ATOM 514 N SER A 82 45.983 10.103 125.206 1.00 45.72 N ATOM 515 CA SER A 82 46.173 9.253 126.391 1.00 45.40 C ATOM 516 C SER A 82 45.715 7.802 126.187 1.00 44.90 C ATOM 517 O SER A 82 45.831 6.960 127.094 1.00 43.62 O ATOM 518 CB SER A 82 45.379 9.863 127.547 1.00 43.51 C ATOM 519 OG SER A 82 45.768 11.222 127.713 1.00 44.50 O ATOM 520 HG SER A 82 45.581 11.722 126.879 1.00 0.00 H ATOM 521 H SER A 82 45.022 10.432 124.983 1.00 0.00 H ATOM 522 N TYR A 83 45.189 7.513 125.005 1.00 45.35 N ATOM 523 CA TYR A 83 44.635 6.193 124.741 1.00 46.36 C ATOM 524 C TYR A 83 45.278 5.590 123.489 1.00 50.03 C ATOM 525 O TYR A 83 45.693 6.330 122.598 1.00 50.38 O ATOM 526 CB TYR A 83 43.115 6.264 124.560 1.00 42.82 C ATOM 527 CG TYR A 83 42.321 6.679 125.796 1.00 39.91 C ATOM 528 CD1 TYR A 83 42.173 5.809 126.883 1.00 38.97 C ATOM 529 CD2 TYR A 83 41.721 7.944 125.869 1.00 37.66 C ATOM 530 CE1 TYR A 83 41.429 6.177 128.000 1.00 37.68 C ATOM 531 CE2 TYR A 83 40.992 8.334 126.981 1.00 36.33 C ATOM 532 CZ TYR A 83 40.833 7.439 128.059 1.00 36.15 C ATOM 533 OH TYR A 83 40.138 7.785 129.208 1.00 34.61 O ATOM 534 HH TYR A 83 40.573 8.567 129.632 1.00 0.00 H ATOM 535 H TYR A 83 45.172 8.237 124.258 1.00 0.00 H ATOM 536 N LYS A 84 45.289 4.251 123.441 1.00 52.38 N ATOM 537 CA LYS A 84 45.975 3.474 122.413 1.00 57.31 C ATOM 538 C LYS A 84 45.059 2.860 121.353 1.00 58.69 C ATOM 539 O LYS A 84 45.465 1.955 120.611 1.00 60.75 O ATOM 540 CB LYS A 84 46.737 2.335 123.088 1.00 59.83 C ATOM 541 CG LYS A 84 47.982 2.743 123.864 1.00 61.65 C ATOM 542 CD LYS A 84 48.590 1.489 124.490 1.00 64.29 C ATOM 543 CE LYS A 84 49.945 1.702 125.121 1.00 66.33 C ATOM 544 NZ LYS A 84 50.910 2.210 124.112 1.00 69.84 N ATOM 545 HZ1 LYS A 84 50.999 1.518 123.340 1.00 0.00 H ATOM 546 HZ2 LYS A 84 50.567 3.115 123.730 1.00 0.00 H ATOM 547 HZ3 LYS A 84 51.837 2.351 124.561 1.00 0.00 H ATOM 548 H LYS A 84 44.777 3.733 124.183 1.00 0.00 H ATOM 549 N ASP A 85 43.823 3.334 121.269 1.00 58.55 N ATOM 550 CA ASP A 85 42.895 2.822 120.257 1.00 59.66 C ATOM 551 C ASP A 85 43.443 3.157 118.854 1.00 62.10 C ATOM 552 O ASP A 85 44.079 4.195 118.649 1.00 59.92 O ATOM 553 CB ASP A 85 41.498 3.447 120.380 1.00 56.20 C ATOM 554 CG ASP A 85 40.820 3.163 121.725 1.00 54.75 C ATOM 555 OD1 ASP A 85 41.355 3.546 122.777 1.00 51.84 O ATOM 556 OD2 ASP A 85 39.716 2.576 121.709 1.00 55.81 O ATOM 557 H ASP A 85 43.510 4.076 121.927 1.00 0.00 H ATOM 558 N LYS A 86 43.131 2.288 117.900 1.00 65.71 N ATOM 559 CA LYS A 86 43.489 2.499 116.508 1.00 71.14 C ATOM 560 C LYS A 86 42.791 3.766 116.035 1.00 69.44 C ATOM 561 O LYS A 86 41.660 4.042 116.443 1.00 64.53 O ATOM 562 CB LYS A 86 43.077 1.304 115.691 1.00 76.48 C ATOM 563 CG LYS A 86 43.796 0.045 116.126 1.00 81.71 C ATOM 564 CD LYS A 86 43.343 -1.117 115.267 1.00 87.48 C ATOM 565 CE LYS A 86 44.051 -2.402 115.673 1.00 91.86 C ATOM 566 NZ LYS A 86 43.832 -3.505 114.693 1.00 95.49 N ATOM 567 HZ1 LYS A 86 42.814 -3.707 114.622 1.00 0.00 H ATOM 568 HZ2 LYS A 86 44.196 -3.217 113.762 1.00 0.00 H ATOM 569 HZ3 LYS A 86 44.334 -4.357 115.014 1.00 0.00 H ATOM 570 H LYS A 86 42.611 1.425 118.159 1.00 0.00 H ATOM 571 N ASN A 87 43.516 4.571 115.265 1.00 70.26 N ATOM 572 CA ASN A 87 43.086 5.926 114.874 1.00 68.84 C ATOM 573 C ASN A 87 42.756 6.910 116.011 1.00 64.09 C ATOM 574 O ASN A 87 42.073 7.917 115.780 1.00 61.80 O ATOM 575 CB ASN A 87 41.930 5.836 113.872 1.00 68.97 C ATOM 576 CG ASN A 87 42.362 5.218 112.578 1.00 72.97 C ATOM 577 OD1 ASN A 87 43.550 5.241 112.233 1.00 78.50 O ATOM 578 ND2 ASN A 87 41.420 4.675 111.838 1.00 73.67 N ATOM 579 HD22 ASN A 87 40.434 4.678 112.167 1.00 0.00 H ATOM 580 HD21 ASN A 87 41.662 4.243 110.924 1.00 0.00 H ATOM 581 H ASN A 87 44.435 4.227 114.920 1.00 0.00 H ATOM 582 N TYR A 88 43.234 6.635 117.226 1.00 61.64 N ATOM 583 CA TYR A 88 43.222 7.663 118.277 1.00 60.18 C ATOM 584 C TYR A 88 44.533 8.488 118.220 1.00 61.87 C ATOM 585 O TYR A 88 45.556 8.044 118.743 1.00 61.75 O ATOM 586 CB TYR A 88 42.983 7.076 119.705 1.00 58.17 C ATOM 587 CG TYR A 88 42.687 8.182 120.705 1.00 55.11 C ATOM 588 CD1 TYR A 88 41.456 8.831 120.690 1.00 53.14 C ATOM 589 CD2 TYR A 88 43.645 8.622 121.613 1.00 53.35 C ATOM 590 CE1 TYR A 88 41.176 9.872 121.560 1.00 50.48 C ATOM 591 CE2 TYR A 88 43.359 9.655 122.477 1.00 51.42 C ATOM 592 CZ TYR A 88 42.118 10.271 122.451 1.00 49.10 C ATOM 593 OH TYR A 88 41.781 11.327 123.262 1.00 45.60 O ATOM 594 HH TYR A 88 41.857 11.051 124.210 1.00 0.00 H ATOM 595 H TYR A 88 43.617 5.690 117.430 1.00 0.00 H ATOM 596 N ASP A 89 44.461 9.683 117.609 1.00 61.89 N ATOM 597 CA ASP A 89 45.648 10.490 117.191 1.00 64.83 C ATOM 598 C ASP A 89 45.193 11.902 116.749 1.00 63.36 C ATOM 599 O ASP A 89 44.022 12.245 116.932 1.00 59.85 O ATOM 600 CB ASP A 89 46.425 9.792 116.053 1.00 67.23 C ATOM 601 CG ASP A 89 45.564 9.537 114.809 1.00 68.81 C ATOM 602 OD1 ASP A 89 44.845 10.451 114.323 1.00 68.56 O ATOM 603 OD2 ASP A 89 45.607 8.403 114.315 1.00 71.16 O ATOM 604 H ASP A 89 43.516 10.072 117.414 1.00 0.00 H ATOM 605 N ALA A 90 46.087 12.681 116.136 1.00 62.55 N ATOM 606 CA ALA A 90 45.817 14.079 115.779 1.00 63.20 C ATOM 607 C ALA A 90 44.810 14.246 114.663 1.00 64.34 C ATOM 608 O ALA A 90 44.270 15.321 114.498 1.00 65.32 O ATOM 609 CB ALA A 90 47.130 14.796 115.410 1.00 67.14 C ATOM 610 H ALA A 90 47.017 12.279 115.901 1.00 0.00 H ATOM 611 N LYS A 91 44.556 13.194 113.895 1.00 65.73 N ATOM 612 CA LYS A 91 43.499 13.224 112.872 1.00 67.35 C ATOM 613 C LYS A 91 42.108 12.769 113.355 1.00 62.91 C ATOM 614 O LYS A 91 41.181 12.709 112.582 1.00 62.67 O ATOM 615 CB LYS A 91 43.924 12.363 111.707 1.00 72.42 C ATOM 616 CG LYS A 91 45.187 12.868 111.089 1.00 78.38 C ATOM 617 CD LYS A 91 45.814 11.778 110.269 1.00 84.31 C ATOM 618 CE LYS A 91 47.192 12.220 109.852 1.00 90.88 C ATOM 619 NZ LYS A 91 47.487 11.637 108.520 1.00 97.93 N ATOM 620 HZ1 LYS A 91 47.448 10.599 108.581 1.00 0.00 H ATOM 621 HZ2 LYS A 91 46.782 11.972 107.833 1.00 0.00 H ATOM 622 HZ3 LYS A 91 48.437 11.933 108.216 1.00 0.00 H ATOM 623 H LYS A 91 45.118 12.328 114.019 1.00 0.00 H ATOM 624 N ASN A 92 41.985 12.474 114.646 1.00 59.62 N ATOM 625 CA ASN A 92 40.719 12.187 115.281 1.00 54.57 C ATOM 626 C ASN A 92 40.041 13.435 115.889 1.00 52.75 C ATOM 627 O ASN A 92 40.460 13.927 116.922 1.00 50.56 O ATOM 628 CB ASN A 92 40.920 11.104 116.340 1.00 52.23 C ATOM 629 CG ASN A 92 39.595 10.503 116.804 1.00 50.11 C ATOM 630 OD1 ASN A 92 38.645 11.224 117.077 1.00 46.80 O ATOM 631 ND2 ASN A 92 39.533 9.181 116.883 1.00 49.83 N ATOM 632 HD22 ASN A 92 40.365 8.606 116.641 1.00 0.00 H ATOM 633 HD21 ASN A 92 38.652 8.719 117.187 1.00 0.00 H ATOM 634 H ASN A 92 42.846 12.449 115.229 1.00 0.00 H ATOM 635 N TRP A 93 38.953 13.899 115.280 1.00 53.64 N ATOM 636 CA TRP A 93 38.242 15.112 115.718 1.00 53.58 C ATOM 637 C TRP A 93 37.773 15.023 117.186 1.00 50.42 C ATOM 638 O TRP A 93 37.424 16.032 117.808 1.00 49.16 O ATOM 639 CB TRP A 93 37.015 15.336 114.825 1.00 56.53 C ATOM 640 CG TRP A 93 35.990 14.238 115.014 1.00 57.64 C ATOM 641 CD1 TRP A 93 35.922 13.036 114.332 1.00 59.61 C ATOM 642 CD2 TRP A 93 34.928 14.193 116.002 1.00 54.85 C ATOM 643 NE1 TRP A 93 34.886 12.272 114.833 1.00 57.52 N ATOM 644 CE2 TRP A 93 34.264 12.955 115.849 1.00 54.57 C ATOM 645 CE3 TRP A 93 34.486 15.076 116.997 1.00 53.71 C ATOM 646 CZ2 TRP A 93 33.172 12.587 116.649 1.00 52.74 C ATOM 647 CZ3 TRP A 93 33.397 14.707 117.787 1.00 52.32 C ATOM 648 CH2 TRP A 93 32.755 13.477 117.612 1.00 51.47 C ATOM 649 HE1 TRP A 93 34.619 11.326 114.493 1.00 0.00 H ATOM 650 H TRP A 93 38.587 13.381 114.456 1.00 0.00 H ATOM 651 N ALA A 94 37.738 13.813 117.742 1.00 46.78 N ATOM 652 CA ALA A 94 37.146 13.619 119.066 1.00 44.05 C ATOM 653 C ALA A 94 38.138 13.680 120.204 1.00 42.78 C ATOM 654 O ALA A 94 37.737 13.793 121.369 1.00 38.63 O ATOM 655 CB ALA A 94 36.399 12.295 119.117 1.00 42.05 C ATOM 656 H ALA A 94 38.135 12.999 117.231 1.00 0.00 H ATOM 657 N ALA A 95 39.437 13.649 119.874 1.00 44.47 N ATOM 658 CA ALA A 95 40.465 13.536 120.929 1.00 43.14 C ATOM 659 C ALA A 95 40.493 14.668 121.970 1.00 41.80 C ATOM 660 O ALA A 95 40.597 14.378 123.168 1.00 42.12 O ATOM 661 CB ALA A 95 41.811 13.333 120.314 1.00 46.70 C ATOM 662 H ALA A 95 39.721 13.705 118.875 1.00 0.00 H ATOM 663 N PRO A 96 40.320 15.942 121.547 1.00 40.73 N ATOM 664 CA PRO A 96 40.250 17.050 122.525 1.00 39.21 C ATOM 665 C PRO A 96 39.150 16.911 123.576 1.00 35.99 C ATOM 666 O PRO A 96 39.295 17.341 124.717 1.00 34.20 O ATOM 667 CB PRO A 96 39.991 18.289 121.647 1.00 41.16 C ATOM 668 CG PRO A 96 40.537 17.923 120.302 1.00 43.66 C ATOM 669 CD PRO A 96 40.230 16.442 120.164 1.00 42.70 C ATOM 670 N PHE A 97 38.050 16.300 123.160 1.00 34.48 N ATOM 671 CA PHE A 97 36.929 16.061 124.026 1.00 31.88 C ATOM 672 C PHE A 97 37.205 14.830 124.895 1.00 30.35 C ATOM 673 O PHE A 97 37.004 14.849 126.124 1.00 28.15 O ATOM 674 CB PHE A 97 35.667 15.885 123.167 1.00 32.02 C ATOM 675 CG PHE A 97 35.421 17.044 122.207 1.00 33.95 C ATOM 676 CD1 PHE A 97 34.943 18.292 122.685 1.00 34.01 C ATOM 677 CD2 PHE A 97 35.670 16.901 120.840 1.00 35.51 C ATOM 678 CE1 PHE A 97 34.709 19.353 121.816 1.00 35.78 C ATOM 679 CE2 PHE A 97 35.456 17.973 119.979 1.00 37.42 C ATOM 680 CZ PHE A 97 34.970 19.194 120.460 1.00 37.27 C ATOM 681 H PHE A 97 37.996 15.982 122.171 1.00 0.00 H ATOM 682 N ILE A 98 37.665 13.748 124.275 1.00 30.61 N ATOM 683 CA ILE A 98 37.968 12.551 125.061 1.00 30.58 C ATOM 684 C ILE A 98 39.067 12.797 126.129 1.00 31.00 C ATOM 685 O ILE A 98 38.976 12.306 127.291 1.00 31.27 O ATOM 686 CB ILE A 98 38.315 11.369 124.125 1.00 32.05 C ATOM 687 CG1 ILE A 98 37.037 10.946 123.337 1.00 31.65 C ATOM 688 CG2 ILE A 98 38.936 10.222 124.918 1.00 32.12 C ATOM 689 CD1 ILE A 98 37.259 9.901 122.276 1.00 32.51 C ATOM 690 H ILE A 98 37.808 13.752 123.245 1.00 0.00 H ATOM 691 N GLU A 99 40.076 13.602 125.772 1.00 31.69 N ATOM 692 CA GLU A 99 41.070 14.004 126.752 1.00 31.91 C ATOM 693 C GLU A 99 40.485 14.841 127.906 1.00 30.39 C ATOM 694 O GLU A 99 40.824 14.605 129.088 1.00 28.91 O ATOM 695 CB GLU A 99 42.215 14.763 126.070 1.00 34.41 C ATOM 696 CG GLU A 99 42.990 13.923 125.074 1.00 35.81 C ATOM 697 CD GLU A 99 43.703 12.763 125.736 1.00 36.62 C ATOM 698 OE1 GLU A 99 44.330 12.984 126.818 1.00 36.71 O ATOM 699 OE2 GLU A 99 43.683 11.634 125.155 1.00 36.81 O ATOM 700 H GLU A 99 40.148 13.940 124.791 1.00 0.00 H ATOM 701 N ALA A 100 39.604 15.785 127.563 1.00 29.82 N ATOM 702 CA ALA A 100 39.032 16.673 128.559 1.00 29.25 C ATOM 703 C ALA A 100 38.199 15.909 129.637 1.00 27.74 C ATOM 704 O ALA A 100 38.331 16.179 130.836 1.00 27.36 O ATOM 705 CB ALA A 100 38.226 17.759 127.887 1.00 29.27 C ATOM 706 H ALA A 100 39.323 15.885 126.567 1.00 0.00 H ATOM 707 N VAL A 101 37.381 14.944 129.210 1.00 27.31 N ATOM 708 CA VAL A 101 36.491 14.194 130.130 1.00 26.56 C ATOM 709 C VAL A 101 37.311 13.204 130.934 1.00 27.03 C ATOM 710 O VAL A 101 36.938 12.801 132.046 1.00 28.20 O ATOM 711 CB VAL A 101 35.368 13.419 129.421 1.00 25.66 C ATOM 712 CG1 VAL A 101 34.474 14.341 128.601 1.00 25.96 C ATOM 713 CG2 VAL A 101 35.939 12.330 128.532 1.00 26.45 C ATOM 714 H VAL A 101 37.367 14.710 128.197 1.00 0.00 H ATOM 715 N THR A 102 38.427 12.822 130.370 1.00 27.41 N ATOM 716 CA THR A 102 39.366 11.963 131.056 1.00 28.22 C ATOM 717 C THR A 102 40.133 12.777 132.161 1.00 29.72 C ATOM 718 O THR A 102 40.200 12.341 133.324 1.00 29.00 O ATOM 719 CB THR A 102 40.387 11.372 130.053 1.00 29.49 C ATOM 720 OG1 THR A 102 39.720 10.575 129.057 1.00 27.76 O ATOM 721 CG2 THR A 102 41.479 10.563 130.800 1.00 30.62 C ATOM 722 HG1 THR A 102 39.075 11.140 128.562 1.00 0.00 H ATOM 723 H THR A 102 38.644 13.144 129.405 1.00 0.00 H ATOM 724 N ALA A 103 40.653 13.964 131.828 1.00 30.31 N ATOM 725 CA ALA A 103 41.272 14.814 132.873 1.00 31.74 C ATOM 726 C ALA A 103 40.263 15.142 133.957 1.00 31.32 C ATOM 727 O ALA A 103 40.591 15.122 135.150 1.00 31.11 O ATOM 728 CB ALA A 103 41.867 16.094 132.302 1.00 32.88 C ATOM 729 H ALA A 103 40.623 14.289 130.840 1.00 0.00 H ATOM 730 N GLU A 104 39.019 15.385 133.563 1.00 30.75 N ATOM 731 CA GLU A 104 37.987 15.711 134.536 1.00 30.87 C ATOM 732 C GLU A 104 37.566 14.563 135.479 1.00 29.70 C ATOM 733 O GLU A 104 36.918 14.810 136.458 1.00 29.57 O ATOM 734 CB GLU A 104 36.780 16.211 133.791 1.00 31.44 C ATOM 735 CG GLU A 104 35.701 16.815 134.657 1.00 32.80 C ATOM 736 CD GLU A 104 36.151 18.080 135.345 1.00 36.23 C ATOM 737 OE1 GLU A 104 35.383 18.582 136.202 1.00 38.14 O ATOM 738 OE2 GLU A 104 37.265 18.563 135.029 1.00 39.39 O ATOM 739 H GLU A 104 38.780 15.342 132.552 1.00 0.00 H ATOM 740 N GLY A 105 37.911 13.310 135.175 1.00 29.33 N ATOM 741 CA GLY A 105 37.463 12.155 135.988 1.00 27.86 C ATOM 742 C GLY A 105 36.079 11.559 135.612 1.00 25.35 C ATOM 743 O GLY A 105 35.629 10.649 136.261 1.00 23.93 O ATOM 744 H GLY A 105 38.512 13.139 134.343 1.00 0.00 H ATOM 745 N LEU A 106 35.432 12.083 134.576 1.00 24.08 N ATOM 746 CA LEU A 106 34.125 11.633 134.157 1.00 22.88 C ATOM 747 C LEU A 106 34.212 10.338 133.403 1.00 24.07 C ATOM 748 O LEU A 106 33.320 9.493 133.566 1.00 22.93 O ATOM 749 CB LEU A 106 33.474 12.617 133.239 1.00 21.99 C ATOM 750 CG LEU A 106 33.345 13.980 133.828 1.00 22.15 C ATOM 751 CD1 LEU A 106 32.426 14.807 132.931 1.00 22.31 C ATOM 752 CD2 LEU A 106 32.826 13.901 135.270 1.00 21.88 C ATOM 753 H LEU A 106 35.887 12.851 134.043 1.00 0.00 H ATOM 754 N MET A 107 35.248 10.175 132.571 1.00 26.42 N ATOM 755 CA MET A 107 35.492 8.895 131.834 1.00 28.16 C ATOM 756 C MET A 107 36.941 8.408 131.973 1.00 30.24 C ATOM 757 O MET A 107 37.845 9.169 132.170 1.00 30.09 O ATOM 758 CB MET A 107 35.111 9.005 130.356 1.00 28.90 C ATOM 759 CG MET A 107 33.678 9.517 130.130 1.00 28.20 C ATOM 760 SD MET A 107 33.094 9.530 128.411 1.00 29.03 S ATOM 761 CE MET A 107 32.842 7.767 128.111 1.00 28.44 C ATOM 762 H MET A 107 35.908 10.967 132.431 1.00 0.00 H ATOM 763 N GLN A 108 37.093 7.094 131.893 1.00 32.70 N ATOM 764 CA GLN A 108 38.317 6.328 132.143 1.00 34.13 C ATOM 765 C GLN A 108 38.637 5.373 131.002 1.00 35.46 C ATOM 766 O GLN A 108 39.715 4.805 130.951 1.00 38.24 O ATOM 767 CB GLN A 108 37.944 5.372 133.286 1.00 34.72 C ATOM 768 CG GLN A 108 38.844 5.236 134.469 1.00 36.02 C ATOM 769 CD GLN A 108 38.321 4.170 135.400 1.00 36.67 C ATOM 770 OE1 GLN A 108 37.239 3.613 135.181 1.00 37.39 O ATOM 771 NE2 GLN A 108 39.052 3.911 136.473 1.00 38.51 N ATOM 772 HE22 GLN A 108 39.957 4.403 136.617 1.00 0.00 H ATOM 773 HE21 GLN A 108 38.722 3.215 137.172 1.00 0.00 H ATOM 774 H GLN A 108 36.251 6.546 131.623 1.00 0.00 H ATOM 775 N GLY A 109 37.654 5.057 130.163 1.00 35.58 N ATOM 776 CA GLY A 109 37.809 3.979 129.181 1.00 37.09 C ATOM 777 C GLY A 109 37.468 2.626 129.761 1.00 38.28 C ATOM 778 O GLY A 109 37.048 2.506 130.916 1.00 37.24 O ATOM 779 H GLY A 109 36.759 5.585 130.204 1.00 0.00 H ATOM 780 N LYS A 110 37.682 1.587 128.966 1.00 42.13 N ATOM 781 CA LYS A 110 37.191 0.243 129.293 1.00 45.14 C ATOM 782 C LYS A 110 38.284 -0.683 129.790 1.00 49.14 C ATOM 783 O LYS A 110 37.973 -1.659 130.436 1.00 50.52 O ATOM 784 CB LYS A 110 36.473 -0.389 128.097 1.00 45.63 C ATOM 785 CG LYS A 110 35.747 0.599 127.199 1.00 44.75 C ATOM 786 CD LYS A 110 34.239 0.487 127.218 1.00 43.90 C ATOM 787 CE LYS A 110 33.747 -0.505 126.202 1.00 45.19 C ATOM 788 NZ LYS A 110 32.495 -0.104 125.525 1.00 45.12 N ATOM 789 HZ1 LYS A 110 31.741 0.011 126.232 1.00 0.00 H ATOM 790 HZ2 LYS A 110 32.645 0.797 125.027 1.00 0.00 H ATOM 791 HZ3 LYS A 110 32.222 -0.838 124.841 1.00 0.00 H ATOM 792 H LYS A 110 38.214 1.729 128.084 1.00 0.00 H ATOM 793 N ASP A 111 39.558 -0.440 129.455 1.00 55.08 N ATOM 794 CA ASP A 111 40.627 -0.952 130.333 1.00 56.27 C ATOM 795 C ASP A 111 41.917 -0.187 130.377 1.00 55.84 C ATOM 796 O ASP A 111 42.435 0.377 129.397 1.00 51.31 O ATOM 797 CB ASP A 111 40.943 -2.437 130.184 1.00 61.04 C ATOM 798 CG ASP A 111 41.665 -2.747 128.937 1.00 65.06 C ATOM 799 OD1 ASP A 111 41.404 -2.003 127.971 1.00 70.36 O ATOM 800 OD2 ASP A 111 42.434 -3.729 128.919 1.00 62.90 O ATOM 801 H ASP A 111 39.788 0.098 128.595 1.00 0.00 H ATOM 802 N LEU A 112 42.383 -0.185 131.611 1.00 56.56 N ATOM 803 CA LEU A 112 43.406 0.683 132.048 1.00 57.13 C ATOM 804 C LEU A 112 44.683 0.081 131.592 1.00 58.91 C ATOM 805 O LEU A 112 45.582 0.808 131.207 1.00 60.57 O ATOM 806 CB LEU A 112 43.365 0.824 133.565 1.00 56.47 C ATOM 807 CG LEU A 112 42.022 1.401 134.029 1.00 55.17 C ATOM 808 CD1 LEU A 112 42.024 1.671 135.530 1.00 53.63 C ATOM 809 CD2 LEU A 112 41.655 2.669 133.243 1.00 53.82 C ATOM 810 H LEU A 112 41.977 -0.855 132.295 1.00 0.00 H ATOM 811 N THR A 113 44.765 -1.241 131.593 1.00 59.93 N ATOM 812 CA THR A 113 46.018 -1.845 131.236 1.00 62.44 C ATOM 813 C THR A 113 46.273 -1.622 129.742 1.00 61.66 C ATOM 814 O THR A 113 47.351 -1.219 129.373 1.00 63.53 O ATOM 815 CB THR A 113 46.112 -3.318 131.654 1.00 64.81 C ATOM 816 OG1 THR A 113 44.969 -4.002 131.163 1.00 66.07 O ATOM 817 CG2 THR A 113 46.176 -3.457 133.201 1.00 64.36 C ATOM 818 HG1 THR A 113 45.018 -4.955 131.426 1.00 0.00 H ATOM 819 H THR A 113 43.943 -1.826 131.846 1.00 0.00 H ATOM 820 N LYS A 114 45.288 -1.808 128.885 1.00 59.62 N ATOM 821 CA LYS A 114 45.543 -1.635 127.467 1.00 60.78 C ATOM 822 C LYS A 114 45.283 -0.237 126.963 1.00 56.49 C ATOM 823 O LYS A 114 45.591 0.088 125.819 1.00 55.56 O ATOM 824 CB LYS A 114 44.713 -2.632 126.688 1.00 65.10 C ATOM 825 CG LYS A 114 45.095 -4.072 127.000 1.00 69.80 C ATOM 826 CD LYS A 114 44.511 -5.032 125.984 1.00 73.79 C ATOM 827 CE LYS A 114 44.977 -4.676 124.571 1.00 77.31 C ATOM 828 NZ LYS A 114 45.216 -5.870 123.704 1.00 82.01 N ATOM 829 HZ1 LYS A 114 45.951 -6.467 124.134 1.00 0.00 H ATOM 830 HZ2 LYS A 114 44.334 -6.414 123.614 1.00 0.00 H ATOM 831 HZ3 LYS A 114 45.529 -5.557 122.763 1.00 0.00 H ATOM 832 H LYS A 114 44.341 -2.075 129.221 1.00 0.00 H ATOM 833 N LYS A 115 44.703 0.584 127.824 1.00 54.13 N ATOM 834 CA LYS A 115 44.389 1.982 127.519 1.00 52.67 C ATOM 835 C LYS A 115 43.505 2.091 126.313 1.00 52.50 C ATOM 836 O LYS A 115 43.836 2.730 125.300 1.00 53.73 O ATOM 837 CB LYS A 115 45.639 2.817 127.353 1.00 55.52 C ATOM 838 CG LYS A 115 46.482 2.828 128.616 1.00 57.01 C ATOM 839 CD LYS A 115 47.861 3.386 128.325 1.00 61.29 C ATOM 840 CE LYS A 115 48.767 3.343 129.552 1.00 63.35 C ATOM 841 NZ LYS A 115 48.181 4.135 130.670 1.00 61.25 N ATOM 842 HZ1 LYS A 115 48.068 5.124 130.370 1.00 0.00 H ATOM 843 HZ2 LYS A 115 47.253 3.740 130.924 1.00 0.00 H ATOM 844 HZ3 LYS A 115 48.815 4.091 131.494 1.00 0.00 H ATOM 845 H LYS A 115 44.457 0.218 128.766 1.00 0.00 H ATOM 846 N ILE A 116 42.353 1.450 126.457 1.00 50.97 N ATOM 847 CA ILE A 116 41.337 1.428 125.429 1.00 50.84 C ATOM 848 C ILE A 116 40.113 2.161 125.964 1.00 48.03 C ATOM 849 O ILE A 116 39.581 1.793 127.012 1.00 49.25 O ATOM 850 CB ILE A 116 40.947 -0.017 125.052 1.00 51.42 C ATOM 851 CG1 ILE A 116 42.167 -0.752 124.471 1.00 53.60 C ATOM 852 CG2 ILE A 116 39.766 -0.015 124.079 1.00 50.33 C ATOM 853 CD1 ILE A 116 42.699 -0.117 123.212 1.00 54.55 C ATOM 854 H ILE A 116 42.173 0.942 127.346 1.00 0.00 H ATOM 855 N PHE A 117 39.719 3.199 125.224 1.00 46.08 N ATOM 856 CA PHE A 117 38.539 4.005 125.463 1.00 43.02 C ATOM 857 C PHE A 117 37.356 3.468 124.702 1.00 43.01 C ATOM 858 O PHE A 117 36.247 3.625 125.152 1.00 41.57 O ATOM 859 CB PHE A 117 38.772 5.423 124.933 1.00 41.31 C ATOM 860 CG PHE A 117 37.723 6.397 125.337 1.00 37.91 C ATOM 861 CD1 PHE A 117 37.657 6.860 126.644 1.00 37.03 C ATOM 862 CD2 PHE A 117 36.790 6.845 124.417 1.00 37.78 C ATOM 863 CE1 PHE A 117 36.679 7.765 127.031 1.00 35.57 C ATOM 864 CE2 PHE A 117 35.828 7.766 124.775 1.00 34.84 C ATOM 865 CZ PHE A 117 35.758 8.221 126.089 1.00 34.06 C ATOM 866 H PHE A 117 40.309 3.451 124.406 1.00 0.00 H ATOM 867 N ASP A 118 37.594 2.914 123.508 1.00 44.70 N ATOM 868 CA ASP A 118 36.514 2.512 122.594 1.00 44.14 C ATOM 869 C ASP A 118 35.662 3.689 122.177 1.00 41.97 C ATOM 870 O ASP A 118 34.508 3.793 122.593 1.00 40.60 O ATOM 871 CB ASP A 118 35.613 1.423 123.220 1.00 43.86 C ATOM 872 CG ASP A 118 34.554 0.896 122.237 1.00 44.02 C ATOM 873 OD1 ASP A 118 34.686 1.136 121.006 1.00 45.44 O ATOM 874 OD2 ASP A 118 33.620 0.229 122.700 1.00 42.84 O ATOM 875 H ASP A 118 38.580 2.762 123.215 1.00 0.00 H ATOM 876 N PHE A 119 36.243 4.571 121.385 1.00 41.75 N ATOM 877 CA PHE A 119 35.586 5.804 120.980 1.00 42.00 C ATOM 878 C PHE A 119 34.480 5.595 119.951 1.00 41.19 C ATOM 879 O PHE A 119 33.549 6.400 119.865 1.00 40.43 O ATOM 880 CB PHE A 119 36.631 6.853 120.498 1.00 44.22 C ATOM 881 CG PHE A 119 37.414 6.471 119.235 1.00 47.10 C ATOM 882 CD1 PHE A 119 36.906 6.764 117.958 1.00 49.03 C ATOM 883 CD2 PHE A 119 38.669 5.851 119.317 1.00 47.82 C ATOM 884 CE1 PHE A 119 37.638 6.430 116.801 1.00 51.42 C ATOM 885 CE2 PHE A 119 39.382 5.504 118.161 1.00 49.87 C ATOM 886 CZ PHE A 119 38.865 5.791 116.907 1.00 51.23 C ATOM 887 H PHE A 119 37.204 4.377 121.038 1.00 0.00 H ATOM 888 N ASN A 120 34.588 4.517 119.186 1.00 43.19 N ATOM 889 CA ASN A 120 33.579 4.169 118.175 1.00 43.97 C ATOM 890 C ASN A 120 32.378 3.374 118.695 1.00 42.71 C ATOM 891 O ASN A 120 31.307 3.402 118.080 1.00 42.32 O ATOM 892 CB ASN A 120 34.186 3.398 117.002 1.00 48.39 C ATOM 893 CG ASN A 120 34.745 4.318 115.954 1.00 51.03 C ATOM 894 OD1 ASN A 120 34.173 5.358 115.698 1.00 52.09 O ATOM 895 ND2 ASN A 120 35.861 3.950 115.348 1.00 55.22 N ATOM 896 HD22 ASN A 120 36.317 3.050 115.600 1.00 0.00 H ATOM 897 HD21 ASN A 120 36.283 4.561 114.620 1.00 0.00 H ATOM 898 H ASN A 120 35.414 3.897 119.305 1.00 0.00 H ATOM 899 N GLY A 121 32.557 2.654 119.794 1.00 40.58 N ATOM 900 CA GLY A 121 31.441 1.983 120.458 1.00 39.75 C ATOM 901 C GLY A 121 30.380 2.970 120.966 1.00 37.36 C ATOM 902 O GLY A 121 30.650 4.187 121.163 1.00 37.09 O ATOM 903 H GLY A 121 33.513 2.565 120.193 1.00 0.00 H ATOM 904 N LYS A 122 29.182 2.448 121.180 1.00 35.60 N ATOM 905 CA LYS A 122 28.055 3.270 121.601 1.00 33.40 C ATOM 906 C LYS A 122 27.996 3.432 123.097 1.00 29.93 C ATOM 907 O LYS A 122 28.328 2.502 123.873 1.00 29.19 O ATOM 908 CB LYS A 122 26.770 2.658 121.105 1.00 34.78 C ATOM 909 CG LYS A 122 26.776 2.412 119.606 1.00 38.27 C ATOM 910 CD LYS A 122 26.869 3.744 118.843 1.00 40.36 C ATOM 911 CE LYS A 122 27.090 3.607 117.321 1.00 42.08 C ATOM 912 NZ LYS A 122 26.595 2.307 116.804 1.00 43.84 N ATOM 913 HZ1 LYS A 122 27.101 1.532 117.278 1.00 0.00 H ATOM 914 HZ2 LYS A 122 25.576 2.225 116.994 1.00 0.00 H ATOM 915 HZ3 LYS A 122 26.763 2.256 115.779 1.00 0.00 H ATOM 916 H LYS A 122 29.042 1.426 121.044 1.00 0.00 H ATOM 917 N ILE A 123 27.608 4.637 123.509 1.00 26.96 N ATOM 918 CA ILE A 123 27.504 4.924 124.934 1.00 24.67 C ATOM 919 C ILE A 123 26.311 4.146 125.482 1.00 24.40 C ATOM 920 O ILE A 123 25.296 4.089 124.828 1.00 25.84 O ATOM 921 CB ILE A 123 27.437 6.461 125.167 1.00 23.17 C ATOM 922 CG1 ILE A 123 27.582 6.808 126.653 1.00 21.71 C ATOM 923 CG2 ILE A 123 26.189 7.077 124.552 1.00 22.65 C ATOM 924 CD1 ILE A 123 28.988 6.674 127.208 1.00 21.54 C ATOM 925 H ILE A 123 27.379 5.375 122.813 1.00 0.00 H ATOM 926 N THR A 124 26.418 3.555 126.667 1.00 23.49 N ATOM 927 CA THR A 124 25.312 2.841 127.262 1.00 22.50 C ATOM 928 C THR A 124 24.676 3.621 128.385 1.00 21.88 C ATOM 929 O THR A 124 25.298 4.515 128.939 1.00 22.01 O ATOM 930 CB THR A 124 25.737 1.482 127.838 1.00 23.27 C ATOM 931 OG1 THR A 124 26.614 1.668 128.932 1.00 22.41 O ATOM 932 CG2 THR A 124 26.444 0.633 126.770 1.00 24.83 C ATOM 933 HG1 THR A 124 26.880 0.786 129.294 1.00 0.00 H ATOM 934 H THR A 124 27.321 3.608 127.180 1.00 0.00 H ATOM 935 N VAL A 125 23.426 3.300 128.717 1.00 21.38 N ATOM 936 CA VAL A 125 22.742 4.071 129.739 1.00 21.01 C ATOM 937 C VAL A 125 23.523 4.059 131.077 1.00 20.81 C ATOM 938 O VAL A 125 23.616 5.102 131.719 1.00 20.73 O ATOM 939 CB VAL A 125 21.169 3.792 129.885 1.00 21.49 C ATOM 940 CG1 VAL A 125 20.569 3.055 128.701 1.00 22.15 C ATOM 941 CG2 VAL A 125 20.728 3.206 131.234 1.00 21.49 C ATOM 942 H VAL A 125 22.946 2.505 128.249 1.00 0.00 H ATOM 943 N GLU A 126 24.108 2.921 131.463 1.00 21.36 N ATOM 944 CA GLU A 126 24.863 2.850 132.732 1.00 21.42 C ATOM 945 C GLU A 126 26.176 3.650 132.667 1.00 21.18 C ATOM 946 O GLU A 126 26.581 4.261 133.673 1.00 21.29 O ATOM 947 CB GLU A 126 25.102 1.389 133.175 1.00 22.52 C ATOM 948 CG GLU A 126 26.057 0.564 132.305 1.00 23.77 C ATOM 949 CD GLU A 126 26.152 -0.925 132.711 1.00 25.43 C ATOM 950 OE1 GLU A 126 25.437 -1.389 133.637 1.00 25.73 O ATOM 951 OE2 GLU A 126 26.884 -1.664 132.040 1.00 26.34 O ATOM 952 H GLU A 126 24.031 2.075 130.863 1.00 0.00 H ATOM 953 N GLU A 127 26.835 3.654 131.499 1.00 21.00 N ATOM 954 CA GLU A 127 28.009 4.513 131.255 1.00 20.83 C ATOM 955 C GLU A 127 27.649 5.984 131.337 1.00 20.25 C ATOM 956 O GLU A 127 28.276 6.737 132.089 1.00 20.25 O ATOM 957 CB GLU A 127 28.617 4.274 129.868 1.00 21.41 C ATOM 958 CG GLU A 127 29.305 2.907 129.687 1.00 23.07 C ATOM 959 CD GLU A 127 29.634 2.559 128.213 1.00 23.91 C ATOM 960 OE1 GLU A 127 29.350 3.358 127.257 1.00 23.00 O ATOM 961 OE2 GLU A 127 30.231 1.470 128.016 1.00 26.00 O ATOM 962 H GLU A 127 26.506 3.028 130.737 1.00 0.00 H ATOM 963 N ALA A 128 26.643 6.404 130.579 1.00 19.39 N ATOM 964 CA ALA A 128 26.210 7.772 130.677 1.00 18.95 C ATOM 965 C ALA A 128 25.912 8.100 132.147 1.00 19.25 C ATOM 966 O ALA A 128 26.189 9.210 132.614 1.00 18.81 O ATOM 967 CB ALA A 128 24.994 8.016 129.793 1.00 18.88 C ATOM 968 H ALA A 128 26.173 5.750 129.921 1.00 0.00 H ATOM 969 N SER A 129 25.258 7.153 132.841 1.00 19.83 N ATOM 970 CA SER A 129 24.870 7.344 134.248 1.00 19.72 C ATOM 971 C SER A 129 26.086 7.651 135.103 1.00 20.14 C ATOM 972 O SER A 129 26.097 8.610 135.879 1.00 19.81 O ATOM 973 CB SER A 129 24.115 6.094 134.834 1.00 20.00 C ATOM 974 OG SER A 129 22.830 5.931 134.247 1.00 19.46 O ATOM 975 HG SER A 129 22.928 5.806 133.270 1.00 0.00 H ATOM 976 H SER A 129 25.019 6.258 132.369 1.00 0.00 H ATOM 977 N LYS A 130 27.115 6.827 134.953 1.00 21.13 N ATOM 978 CA LYS A 130 28.388 7.090 135.622 1.00 22.16 C ATOM 979 C LYS A 130 28.796 8.559 135.402 1.00 21.17 C ATOM 980 O LYS A 130 29.085 9.276 136.381 1.00 22.25 O ATOM 981 CB LYS A 130 29.499 6.173 135.100 1.00 24.02 C ATOM 982 CG LYS A 130 30.819 6.430 135.803 1.00 26.43 C ATOM 983 CD LYS A 130 31.969 5.629 135.264 1.00 28.60 C ATOM 984 CE LYS A 130 33.291 6.393 135.463 1.00 30.44 C ATOM 985 NZ LYS A 130 34.497 5.587 135.166 1.00 31.78 N ATOM 986 HZ1 LYS A 130 34.521 4.758 135.793 1.00 0.00 H ATOM 987 HZ2 LYS A 130 34.467 5.273 134.175 1.00 0.00 H ATOM 988 HZ3 LYS A 130 35.347 6.166 135.322 1.00 0.00 H ATOM 989 H LYS A 130 27.015 5.984 134.352 1.00 0.00 H ATOM 990 N THR A 131 28.856 8.986 134.142 1.00 19.32 N ATOM 991 CA THR A 131 29.443 10.281 133.810 1.00 18.69 C ATOM 992 C THR A 131 28.692 11.432 134.456 1.00 18.86 C ATOM 993 O THR A 131 29.277 12.345 135.014 1.00 19.53 O ATOM 994 CB THR A 131 29.579 10.494 132.297 1.00 18.29 C ATOM 995 OG1 THR A 131 28.304 10.687 131.691 1.00 17.08 O ATOM 996 CG2 THR A 131 30.292 9.304 131.666 1.00 18.76 C ATOM 997 HG1 THR A 131 27.740 9.889 131.850 1.00 0.00 H ATOM 998 H THR A 131 28.478 8.386 133.381 1.00 0.00 H ATOM 999 N LEU A 132 27.383 11.338 134.465 1.00 18.61 N ATOM 1000 CA LEU A 132 26.572 12.422 134.927 1.00 18.57 C ATOM 1001 C LEU A 132 26.495 12.468 136.449 1.00 18.76 C ATOM 1002 O LEU A 132 26.413 13.534 137.038 1.00 19.07 O ATOM 1003 CB LEU A 132 25.178 12.251 134.321 1.00 18.96 C ATOM 1004 CG LEU A 132 25.170 12.349 132.807 1.00 19.62 C ATOM 1005 CD1 LEU A 132 23.793 11.965 132.318 1.00 19.72 C ATOM 1006 CD2 LEU A 132 25.501 13.764 132.306 1.00 20.35 C ATOM 1007 H LEU A 132 26.929 10.464 134.132 1.00 0.00 H ATOM 1008 N VAL A 133 26.423 11.303 137.077 1.00 18.56 N ATOM 1009 CA VAL A 133 26.429 11.181 138.538 1.00 19.23 C ATOM 1010 C VAL A 133 27.713 11.768 139.128 1.00 20.30 C ATOM 1011 O VAL A 133 27.682 12.538 140.105 1.00 20.47 O ATOM 1012 CB VAL A 133 26.236 9.682 138.964 1.00 19.12 C ATOM 1013 CG1 VAL A 133 26.640 9.419 140.413 1.00 19.98 C ATOM 1014 CG2 VAL A 133 24.786 9.251 138.738 1.00 18.92 C ATOM 1015 H VAL A 133 26.359 10.435 136.507 1.00 0.00 H ATOM 1016 N THR A 134 28.820 11.420 138.482 1.00 20.87 N ATOM 1017 CA THR A 134 30.122 11.983 138.809 1.00 22.67 C ATOM 1018 C THR A 134 30.204 13.500 138.579 1.00 23.78 C ATOM 1019 O THR A 134 30.571 14.252 139.496 1.00 25.17 O ATOM 1020 CB THR A 134 31.230 11.309 138.004 1.00 22.75 C ATOM 1021 OG1 THR A 134 31.148 9.884 138.182 1.00 22.94 O ATOM 1022 CG2 THR A 134 32.614 11.788 138.488 1.00 23.75 C ATOM 1023 HG1 THR A 134 30.266 9.563 137.866 1.00 0.00 H ATOM 1024 H THR A 134 28.754 10.720 137.715 1.00 0.00 H ATOM 1025 N ALA A 135 29.851 13.951 137.378 1.00 23.26 N ATOM 1026 CA ALA A 135 29.857 15.392 137.077 1.00 23.52 C ATOM 1027 C ALA A 135 28.989 16.194 138.047 1.00 24.26 C ATOM 1028 O ALA A 135 29.312 17.317 138.414 1.00 25.37 O ATOM 1029 CB ALA A 135 29.390 15.629 135.637 1.00 22.76 C ATOM 1030 H ALA A 135 29.566 13.275 136.641 1.00 0.00 H ATOM 1031 N LEU A 136 27.858 15.615 138.436 1.00 24.04 N ATOM 1032 CA LEU A 136 26.939 16.258 139.368 1.00 24.94 C ATOM 1033 C LEU A 136 27.289 16.038 140.856 1.00 26.49 C ATOM 1034 O LEU A 136 26.657 16.611 141.713 1.00 27.18 O ATOM 1035 CB LEU A 136 25.515 15.765 139.075 1.00 24.56 C ATOM 1036 CG LEU A 136 24.913 16.262 137.753 1.00 24.18 C ATOM 1037 CD1 LEU A 136 23.633 15.502 137.414 1.00 23.53 C ATOM 1038 CD2 LEU A 136 24.649 17.772 137.806 1.00 25.21 C ATOM 1039 H LEU A 136 27.621 14.673 138.064 1.00 0.00 H ATOM 1040 N LYS A 137 28.270 15.189 141.158 1.00 27.69 N ATOM 1041 CA LYS A 137 28.698 14.935 142.532 1.00 30.70 C ATOM 1042 C LYS A 137 27.568 14.392 143.424 1.00 28.86 C ATOM 1043 O LYS A 137 27.417 14.769 144.589 1.00 28.42 O ATOM 1044 CB LYS A 137 29.337 16.198 143.131 1.00 36.22 C ATOM 1045 CG LYS A 137 30.639 16.562 142.410 1.00 41.39 C ATOM 1046 CD LYS A 137 30.790 18.059 142.208 1.00 47.96 C ATOM 1047 CE LYS A 137 31.108 18.754 143.520 1.00 54.52 C ATOM 1048 NZ LYS A 137 32.500 18.502 144.003 1.00 59.65 N ATOM 1049 HZ1 LYS A 137 32.636 17.481 144.149 1.00 0.00 H ATOM 1050 HZ2 LYS A 137 33.179 18.846 143.294 1.00 0.00 H ATOM 1051 HZ3 LYS A 137 32.650 19.005 144.901 1.00 0.00 H ATOM 1052 H LYS A 137 28.751 14.687 140.385 1.00 0.00 H ATOM 1053 N LEU A 138 26.812 13.481 142.833 1.00 26.26 N ATOM 1054 CA LEU A 138 25.766 12.751 143.528 1.00 26.17 C ATOM 1055 C LEU A 138 26.346 11.534 144.191 1.00 26.50 C ATOM 1056 O LEU A 138 27.392 11.045 143.753 1.00 25.44 O ATOM 1057 CB LEU A 138 24.655 12.342 142.563 1.00 25.17 C ATOM 1058 CG LEU A 138 23.955 13.520 141.847 1.00 24.90 C ATOM 1059 CD1 LEU A 138 23.186 13.005 140.639 1.00 24.07 C ATOM 1060 CD2 LEU A 138 23.031 14.280 142.799 1.00 26.07 C ATOM 1061 H LEU A 138 26.974 13.279 141.826 1.00 0.00 H ATOM 1062 N GLU A 139 25.656 11.065 145.248 1.00 27.02 N ATOM 1063 CA GLU A 139 26.116 9.940 146.024 1.00 28.74 C ATOM 1064 C GLU A 139 25.717 8.654 145.347 1.00 28.20 C ATOM 1065 O GLU A 139 24.528 8.429 145.175 1.00 28.48 O ATOM 1066 CB GLU A 139 25.500 9.983 147.416 1.00 31.14 C ATOM 1067 CG GLU A 139 26.218 9.068 148.359 1.00 33.16 C ATOM 1068 CD GLU A 139 27.639 9.530 148.676 1.00 34.43 C ATOM 1069 OE1 GLU A 139 27.909 10.771 148.626 1.00 34.86 O ATOM 1070 OE2 GLU A 139 28.465 8.629 148.971 1.00 35.26 O ATOM 1071 H GLU A 139 24.764 11.529 145.513 1.00 0.00 H ATOM 1072 N PRO A 140 26.692 7.825 144.926 1.00 28.21 N ATOM 1073 CA PRO A 140 26.378 6.536 144.384 1.00 28.26 C ATOM 1074 C PRO A 140 25.716 5.667 145.434 1.00 30.72 C ATOM 1075 O PRO A 140 26.017 5.799 146.620 1.00 33.63 O ATOM 1076 CB PRO A 140 27.742 5.981 144.002 1.00 28.32 C ATOM 1077 CG PRO A 140 28.584 7.178 143.739 1.00 27.56 C ATOM 1078 CD PRO A 140 28.143 8.092 144.825 1.00 28.89 C ATOM 1079 N VAL A 141 24.839 4.783 145.018 1.00 31.48 N ATOM 1080 CA VAL A 141 24.180 3.902 145.955 1.00 35.30 C ATOM 1081 C VAL A 141 24.966 2.598 146.214 1.00 39.50 C ATOM 1082 O VAL A 141 25.149 1.797 145.313 1.00 38.48 O ATOM 1083 CB VAL A 141 22.775 3.563 145.441 1.00 35.68 C ATOM 1084 CG1 VAL A 141 22.054 2.634 146.412 1.00 37.46 C ATOM 1085 CG2 VAL A 141 21.953 4.846 145.195 1.00 34.43 C ATOM 1086 H VAL A 141 24.616 4.716 144.004 1.00 0.00 H ATOM 1087 N LYS A 142 25.415 2.392 147.453 1.00 44.34 N ATOM 1088 CA LYS A 142 25.986 1.105 147.882 1.00 48.96 C ATOM 1089 C LYS A 142 24.913 0.028 147.895 1.00 49.82 C ATOM 1090 O LYS A 142 23.799 0.249 148.398 1.00 49.74 O ATOM 1091 CB LYS A 142 26.566 1.159 149.314 1.00 53.47 C ATOM 1092 CG LYS A 142 28.091 1.229 149.447 1.00 57.06 C ATOM 1093 CD LYS A 142 28.751 2.230 148.498 1.00 58.10 C ATOM 1094 CE LYS A 142 30.268 2.252 148.726 1.00 59.36 C ATOM 1095 NZ LYS A 142 30.665 2.953 149.990 1.00 59.49 N ATOM 1096 HZ1 LYS A 142 30.338 3.940 149.955 1.00 0.00 H ATOM 1097 HZ2 LYS A 142 30.231 2.471 150.803 1.00 0.00 H ATOM 1098 HZ3 LYS A 142 31.700 2.933 150.085 1.00 0.00 H ATOM 1099 H LYS A 142 25.360 3.170 148.141 1.00 0.00 H ATOM 1100 N ASP A 143 25.285 -1.155 147.426 1.00 50.76 N ATOM 1101 CA ASP A 143 24.403 -2.327 147.447 1.00 54.73 C ATOM 1102 C ASP A 143 23.048 -2.042 146.803 1.00 51.81 C ATOM 1103 O ASP A 143 22.016 -2.448 147.318 1.00 53.34 O ATOM 1104 CB ASP A 143 24.186 -2.872 148.883 1.00 60.07 C ATOM 1105 CG ASP A 143 25.483 -3.347 149.553 1.00 63.18 C ATOM 1106 OD1 ASP A 143 26.297 -4.059 148.908 1.00 66.20 O ATOM 1107 OD2 ASP A 143 25.679 -3.008 150.738 1.00 65.68 O ATOM 1108 H ASP A 143 26.240 -1.256 147.027 1.00 0.00 H ATOM 1109 N ALA A 144 23.059 -1.340 145.675 1.00 47.89 N ATOM 1110 CA ALA A 144 21.845 -1.139 144.927 1.00 44.95 C ATOM 1111 C ALA A 144 21.513 -2.458 144.285 1.00 45.87 C ATOM 1112 O ALA A 144 22.419 -3.231 143.912 1.00 45.34 O ATOM 1113 CB ALA A 144 22.018 -0.060 143.876 1.00 42.08 C ATOM 1114 H ALA A 144 23.951 -0.932 145.330 1.00 0.00 H ATOM 1115 N GLN A 145 20.207 -2.701 144.173 1.00 46.72 N ATOM 1116 CA GLN A 145 19.676 -3.878 143.505 1.00 48.97 C ATOM 1117 C GLN A 145 19.020 -3.447 142.210 1.00 44.28 C ATOM 1118 O GLN A 145 18.033 -2.711 142.221 1.00 41.23 O ATOM 1119 CB GLN A 145 18.668 -4.600 144.410 1.00 56.30 C ATOM 1120 CG GLN A 145 19.279 -5.515 145.500 1.00 62.40 C ATOM 1121 CD GLN A 145 18.404 -6.728 145.781 1.00 70.00 C ATOM 1122 OE1 GLN A 145 18.904 -7.853 145.953 1.00 74.59 O ATOM 1123 NE2 GLN A 145 17.082 -6.506 145.827 1.00 70.95 N ATOM 1124 HE22 GLN A 145 16.710 -5.546 145.677 1.00 0.00 H ATOM 1125 HE21 GLN A 145 16.429 -7.293 146.013 1.00 0.00 H ATOM 1126 H GLN A 145 19.538 -2.018 144.582 1.00 0.00 H ATOM 1127 N ASN A 146 19.634 -3.844 141.092 1.00 42.48 N ATOM 1128 CA ASN A 146 19.125 -3.489 139.753 1.00 40.41 C ATOM 1129 C ASN A 146 19.801 -4.374 138.720 1.00 40.87 C ATOM 1130 O ASN A 146 20.627 -5.193 139.088 1.00 41.49 O ATOM 1131 CB ASN A 146 19.331 -1.990 139.447 1.00 36.96 C ATOM 1132 CG ASN A 146 20.780 -1.560 139.611 1.00 35.44 C ATOM 1133 OD1 ASN A 146 21.698 -2.207 139.087 1.00 34.24 O ATOM 1134 ND2 ASN A 146 20.993 -0.457 140.329 1.00 34.11 N ATOM 1135 HD22 ASN A 146 20.190 0.053 140.750 1.00 0.00 H ATOM 1136 HD21 ASN A 146 21.962 -0.106 140.468 1.00 0.00 H ATOM 1137 H ASN A 146 20.496 -4.420 141.167 1.00 0.00 H ATOM 1138 N LYS A 147 19.498 -4.182 137.437 1.00 40.84 N ATOM 1139 CA LYS A 147 20.063 -5.042 136.401 1.00 43.20 C ATOM 1140 C LYS A 147 21.425 -4.621 135.824 1.00 41.23 C ATOM 1141 O LYS A 147 21.953 -5.305 134.945 1.00 41.22 O ATOM 1142 CB LYS A 147 19.039 -5.204 135.285 1.00 47.21 C ATOM 1143 CG LYS A 147 17.808 -6.009 135.736 1.00 52.70 C ATOM 1144 CD LYS A 147 16.508 -5.386 135.219 1.00 57.28 C ATOM 1145 CE LYS A 147 15.264 -5.846 135.996 1.00 63.58 C ATOM 1146 NZ LYS A 147 14.597 -6.975 135.297 1.00 67.58 N ATOM 1147 HZ1 LYS A 147 14.307 -6.669 134.346 1.00 0.00 H ATOM 1148 HZ2 LYS A 147 15.260 -7.773 135.219 1.00 0.00 H ATOM 1149 HZ3 LYS A 147 13.760 -7.270 135.838 1.00 0.00 H ATOM 1150 H LYS A 147 18.852 -3.412 137.171 1.00 0.00 H ATOM 1151 N ALA A 148 22.003 -3.526 136.338 1.00 38.77 N ATOM 1152 CA ALA A 148 23.281 -2.978 135.843 1.00 36.77 C ATOM 1153 C ALA A 148 24.492 -3.894 136.062 1.00 38.46 C ATOM 1154 O ALA A 148 24.507 -4.749 136.970 1.00 39.46 O ATOM 1155 CB ALA A 148 23.558 -1.615 136.478 1.00 34.20 C ATOM 1156 H ALA A 148 21.528 -3.039 137.124 1.00 0.00 H ATOM 1157 N THR A 149 25.503 -3.689 135.227 1.00 36.60 N ATOM 1158 CA THR A 149 26.765 -4.344 135.411 1.00 38.45 C ATOM 1159 C THR A 149 27.299 -3.957 136.778 1.00 40.48 C ATOM 1160 O THR A 149 27.005 -2.861 137.278 1.00 39.57 O ATOM 1161 CB THR A 149 27.743 -3.935 134.301 1.00 36.95 C ATOM 1162 OG1 THR A 149 27.070 -4.037 133.034 1.00 34.91 O ATOM 1163 CG2 THR A 149 29.001 -4.810 134.335 1.00 39.03 C ATOM 1164 HG1 THR A 149 26.284 -3.435 133.030 1.00 0.00 H ATOM 1165 H THR A 149 25.377 -3.041 134.424 1.00 0.00 H ATOM 1166 N ASP A 150 28.093 -4.848 137.372 1.00 44.49 N ATOM 1167 CA ASP A 150 28.521 -4.700 138.773 1.00 46.28 C ATOM 1168 C ASP A 150 29.142 -3.353 139.066 1.00 41.59 C ATOM 1169 O ASP A 150 28.797 -2.713 140.056 1.00 40.12 O ATOM 1170 CB ASP A 150 29.534 -5.767 139.140 1.00 52.24 C ATOM 1171 CG ASP A 150 29.053 -7.138 138.783 1.00 60.06 C ATOM 1172 OD1 ASP A 150 28.074 -7.613 139.431 1.00 62.62 O ATOM 1173 OD2 ASP A 150 29.638 -7.720 137.821 1.00 66.28 O ATOM 1174 H ASP A 150 28.420 -5.673 136.829 1.00 0.00 H ATOM 1175 N TRP A 151 30.073 -2.947 138.208 1.00 38.10 N ATOM 1176 CA TRP A 151 30.776 -1.691 138.392 1.00 35.11 C ATOM 1177 C TRP A 151 29.823 -0.473 138.367 1.00 32.19 C ATOM 1178 O TRP A 151 30.121 0.560 138.962 1.00 29.94 O ATOM 1179 CB TRP A 151 31.874 -1.522 137.328 1.00 34.24 C ATOM 1180 CG TRP A 151 31.345 -1.340 135.931 1.00 32.32 C ATOM 1181 CD1 TRP A 151 31.239 -2.291 134.968 1.00 32.84 C ATOM 1182 CD2 TRP A 151 30.873 -0.111 135.343 1.00 30.13 C ATOM 1183 NE1 TRP A 151 30.696 -1.748 133.816 1.00 31.57 N ATOM 1184 CE2 TRP A 151 30.479 -0.410 134.005 1.00 29.23 C ATOM 1185 CE3 TRP A 151 30.755 1.208 135.809 1.00 28.53 C ATOM 1186 CZ2 TRP A 151 29.973 0.551 133.134 1.00 27.35 C ATOM 1187 CZ3 TRP A 151 30.245 2.162 134.938 1.00 27.03 C ATOM 1188 CH2 TRP A 151 29.850 1.819 133.614 1.00 26.68 C ATOM 1189 HE1 TRP A 151 30.486 -2.274 132.944 1.00 0.00 H ATOM 1190 H TRP A 151 30.302 -3.543 137.387 1.00 0.00 H ATOM 1191 N ALA A 152 28.664 -0.636 137.734 1.00 31.05 N ATOM 1192 CA ALA A 152 27.748 0.477 137.437 1.00 28.46 C ATOM 1193 C ALA A 152 26.514 0.556 138.307 1.00 28.25 C ATOM 1194 O ALA A 152 25.675 1.434 138.113 1.00 27.51 O ATOM 1195 CB ALA A 152 27.312 0.338 135.992 1.00 27.75 C ATOM 1196 H ALA A 152 28.393 -1.595 137.435 1.00 0.00 H ATOM 1197 N LYS A 153 26.331 -0.390 139.218 1.00 30.45 N ATOM 1198 CA LYS A 153 25.025 -0.527 139.911 1.00 31.30 C ATOM 1199 C LYS A 153 24.679 0.681 140.729 1.00 29.53 C ATOM 1200 O LYS A 153 23.555 1.155 140.686 1.00 29.22 O ATOM 1201 CB LYS A 153 24.984 -1.786 140.819 1.00 34.96 C ATOM 1202 CG LYS A 153 24.923 -3.116 140.058 1.00 36.70 C ATOM 1203 CD LYS A 153 24.880 -4.290 141.030 1.00 39.35 C ATOM 1204 CE LYS A 153 24.850 -5.633 140.320 1.00 40.80 C ATOM 1205 NZ LYS A 153 23.578 -5.811 139.569 1.00 40.55 N ATOM 1206 HZ1 LYS A 153 22.777 -5.765 140.231 1.00 0.00 H ATOM 1207 HZ2 LYS A 153 23.487 -5.056 138.860 1.00 0.00 H ATOM 1208 HZ3 LYS A 153 23.584 -6.736 139.094 1.00 0.00 H ATOM 1209 H LYS A 153 27.108 -1.041 139.449 1.00 0.00 H ATOM 1210 N GLY A 154 25.642 1.167 141.507 1.00 29.48 N ATOM 1211 CA GLY A 154 25.453 2.409 142.318 1.00 28.14 C ATOM 1212 C GLY A 154 25.302 3.666 141.470 1.00 25.77 C ATOM 1213 O GLY A 154 24.555 4.576 141.841 1.00 24.99 O ATOM 1214 H GLY A 154 26.554 0.668 141.553 1.00 0.00 H ATOM 1215 N TYR A 155 26.017 3.708 140.331 1.00 24.01 N ATOM 1216 CA TYR A 155 25.906 4.826 139.412 1.00 22.62 C ATOM 1217 C TYR A 155 24.516 4.890 138.794 1.00 21.44 C ATOM 1218 O TYR A 155 23.889 5.951 138.755 1.00 20.53 O ATOM 1219 CB TYR A 155 26.929 4.700 138.270 1.00 22.59 C ATOM 1220 CG TYR A 155 28.362 4.933 138.697 1.00 24.38 C ATOM 1221 CD1 TYR A 155 28.746 6.100 139.371 1.00 24.49 C ATOM 1222 CD2 TYR A 155 29.352 4.003 138.385 1.00 25.57 C ATOM 1223 CE1 TYR A 155 30.096 6.296 139.742 1.00 25.92 C ATOM 1224 CE2 TYR A 155 30.683 4.188 138.745 1.00 27.01 C ATOM 1225 CZ TYR A 155 31.060 5.322 139.428 1.00 26.82 C ATOM 1226 OH TYR A 155 32.400 5.438 139.746 1.00 26.69 O ATOM 1227 HH TYR A 155 32.550 6.287 140.232 1.00 0.00 H ATOM 1228 H TYR A 155 26.662 2.924 140.105 1.00 0.00 H ATOM 1229 N PHE A 156 24.070 3.750 138.247 1.00 21.28 N ATOM 1230 CA PHE A 156 22.743 3.672 137.622 1.00 20.42 C ATOM 1231 C PHE A 156 21.625 3.982 138.625 1.00 19.88 C ATOM 1232 O PHE A 156 20.748 4.766 138.350 1.00 18.83 O ATOM 1233 CB PHE A 156 22.542 2.296 136.984 1.00 21.69 C ATOM 1234 CG PHE A 156 21.221 2.142 136.296 1.00 21.86 C ATOM 1235 CD1 PHE A 156 20.871 3.004 135.257 1.00 21.40 C ATOM 1236 CD2 PHE A 156 20.312 1.182 136.706 1.00 23.56 C ATOM 1237 CE1 PHE A 156 19.628 2.902 134.624 1.00 21.92 C ATOM 1238 CE2 PHE A 156 19.055 1.093 136.110 1.00 24.36 C ATOM 1239 CZ PHE A 156 18.722 1.952 135.048 1.00 23.39 C ATOM 1240 H PHE A 156 24.675 2.905 138.266 1.00 0.00 H ATOM 1241 N GLU A 157 21.700 3.413 139.805 1.00 20.65 N ATOM 1242 CA GLU A 157 20.667 3.657 140.790 1.00 21.31 C ATOM 1243 C GLU A 157 20.604 5.162 141.160 1.00 20.82 C ATOM 1244 O GLU A 157 19.510 5.750 141.269 1.00 20.82 O ATOM 1245 CB GLU A 157 20.883 2.794 142.022 1.00 22.96 C ATOM 1246 CG GLU A 157 19.651 2.694 142.962 1.00 24.60 C ATOM 1247 CD GLU A 157 18.553 1.689 142.514 1.00 25.66 C ATOM 1248 OE1 GLU A 157 18.746 0.960 141.476 1.00 24.98 O ATOM 1249 OE2 GLU A 157 17.497 1.618 143.249 1.00 26.86 O ATOM 1250 H GLU A 157 22.500 2.788 140.032 1.00 0.00 H ATOM 1251 N ALA A 158 21.769 5.788 141.352 1.00 20.34 N ATOM 1252 CA ALA A 158 21.804 7.212 141.664 1.00 20.13 C ATOM 1253 C ALA A 158 21.227 8.030 140.505 1.00 19.08 C ATOM 1254 O ALA A 158 20.654 9.087 140.722 1.00 19.54 O ATOM 1255 CB ALA A 158 23.225 7.654 141.960 1.00 20.31 C ATOM 1256 H ALA A 158 22.659 5.255 141.278 1.00 0.00 H ATOM 1257 N ALA A 159 21.444 7.590 139.280 1.00 18.42 N ATOM 1258 CA ALA A 159 21.043 8.364 138.104 1.00 18.17 C ATOM 1259 C ALA A 159 19.529 8.251 138.007 1.00 19.04 C ATOM 1260 O ALA A 159 18.812 9.237 137.711 1.00 19.53 O ATOM 1261 CB ALA A 159 21.695 7.778 136.858 1.00 17.57 C ATOM 1262 H ALA A 159 21.911 6.671 139.147 1.00 0.00 H ATOM 1263 N VAL A 160 19.040 7.037 138.273 1.00 19.87 N ATOM 1264 CA VAL A 160 17.602 6.792 138.370 1.00 20.61 C ATOM 1265 C VAL A 160 16.952 7.674 139.412 1.00 21.89 C ATOM 1266 O VAL A 160 15.952 8.384 139.098 1.00 21.92 O ATOM 1267 CB VAL A 160 17.301 5.340 138.657 1.00 21.41 C ATOM 1268 CG1 VAL A 160 15.828 5.108 139.033 1.00 22.65 C ATOM 1269 CG2 VAL A 160 17.682 4.537 137.417 1.00 21.31 C ATOM 1270 H VAL A 160 19.699 6.245 138.415 1.00 0.00 H ATOM 1271 N ASN A 161 17.512 7.713 140.606 1.00 22.82 N ATOM 1272 CA ASN A 161 16.882 8.485 141.652 1.00 24.65 C ATOM 1273 C ASN A 161 17.019 9.984 141.401 1.00 25.42 C ATOM 1274 O ASN A 161 16.319 10.779 142.027 1.00 26.64 O ATOM 1275 CB ASN A 161 17.534 8.218 142.980 1.00 26.17 C ATOM 1276 CG ASN A 161 17.324 6.809 143.498 1.00 27.28 C ATOM 1277 OD1 ASN A 161 16.275 6.236 143.349 1.00 27.45 O ATOM 1278 ND2 ASN A 161 18.324 6.295 144.232 1.00 28.33 N ATOM 1279 HD22 ASN A 161 19.215 6.821 144.337 1.00 0.00 H ATOM 1280 HD21 ASN A 161 18.207 5.371 144.696 1.00 0.00 H ATOM 1281 H ASN A 161 18.395 7.195 140.792 1.00 0.00 H ATOM 1282 N ALA A 162 17.975 10.391 140.554 1.00 25.15 N ATOM 1283 CA ALA A 162 18.058 11.809 140.133 1.00 25.51 C ATOM 1284 C ALA A 162 17.111 12.164 138.978 1.00 25.34 C ATOM 1285 O ALA A 162 16.986 13.334 138.566 1.00 26.77 O ATOM 1286 CB ALA A 162 19.505 12.156 139.781 1.00 24.74 C ATOM 1287 H ALA A 162 18.665 9.704 140.189 1.00 0.00 H ATOM 1288 N GLY A 163 16.426 11.169 138.432 1.00 24.54 N ATOM 1289 CA GLY A 163 15.495 11.433 137.345 1.00 23.71 C ATOM 1290 C GLY A 163 16.217 11.623 136.004 1.00 23.08 C ATOM 1291 O GLY A 163 15.658 12.195 135.075 1.00 24.11 O ATOM 1292 H GLY A 163 16.554 10.198 138.781 1.00 0.00 H ATOM 1293 N LEU A 164 17.448 11.133 135.900 1.00 21.48 N ATOM 1294 CA LEU A 164 18.266 11.239 134.659 1.00 20.55 C ATOM 1295 C LEU A 164 17.930 10.155 133.665 1.00 20.15 C ATOM 1296 O LEU A 164 17.956 10.402 132.483 1.00 20.63 O ATOM 1297 CB LEU A 164 19.774 11.087 134.971 1.00 19.59 C ATOM 1298 CG LEU A 164 20.385 12.087 135.968 1.00 20.17 C ATOM 1299 CD1 LEU A 164 21.884 11.852 136.105 1.00 19.51 C ATOM 1300 CD2 LEU A 164 20.139 13.538 135.554 1.00 20.85 C ATOM 1301 H LEU A 164 17.860 10.652 136.725 1.00 0.00 H ATOM 1302 N PHE A 165 17.631 8.964 134.161 1.00 20.76 N ATOM 1303 CA PHE A 165 17.044 7.882 133.376 1.00 21.90 C ATOM 1304 C PHE A 165 15.869 7.249 134.150 1.00 23.92 C ATOM 1305 O PHE A 165 15.805 7.299 135.358 1.00 25.06 O ATOM 1306 CB PHE A 165 18.070 6.801 133.077 1.00 21.48 C ATOM 1307 CG PHE A 165 19.206 7.257 132.198 1.00 20.91 C ATOM 1308 CD1 PHE A 165 19.080 7.233 130.791 1.00 20.67 C ATOM 1309 CD2 PHE A 165 20.372 7.719 132.750 1.00 19.32 C ATOM 1310 CE1 PHE A 165 20.128 7.644 129.975 1.00 19.98 C ATOM 1311 CE2 PHE A 165 21.388 8.134 131.946 1.00 19.66 C ATOM 1312 CZ PHE A 165 21.280 8.072 130.550 1.00 19.65 C ATOM 1313 H PHE A 165 17.826 8.789 135.168 1.00 0.00 H ATOM 1314 N SER A 166 14.929 6.689 133.419 1.00 26.18 N ATOM 1315 CA SER A 166 13.808 5.971 134.016 1.00 29.53 C ATOM 1316 C SER A 166 14.285 4.634 134.622 1.00 28.79 C ATOM 1317 O SER A 166 15.215 3.992 134.091 1.00 27.21 O ATOM 1318 CB SER A 166 12.754 5.684 132.960 1.00 31.01 C ATOM 1319 OG SER A 166 12.052 4.500 133.347 1.00 38.38 O ATOM 1320 HG SER A 166 11.358 4.293 132.672 1.00 0.00 H ATOM 1321 H SER A 166 14.987 6.760 132.383 1.00 0.00 H ATOM 1322 N LYS A 167 13.611 4.195 135.671 1.00 28.57 N ATOM 1323 CA LYS A 167 14.016 2.994 136.373 1.00 31.10 C ATOM 1324 C LYS A 167 13.870 1.730 135.547 1.00 32.91 C ATOM 1325 O LYS A 167 14.497 0.730 135.861 1.00 34.31 O ATOM 1326 CB LYS A 167 13.241 2.840 137.689 1.00 32.28 C ATOM 1327 CG LYS A 167 11.788 2.479 137.561 1.00 34.01 C ATOM 1328 CD LYS A 167 11.092 2.295 138.939 1.00 36.88 C ATOM 1329 CE LYS A 167 10.611 3.637 139.531 1.00 38.03 C ATOM 1330 NZ LYS A 167 9.782 3.527 140.797 1.00 40.77 N ATOM 1331 HZ1 LYS A 167 8.928 2.966 140.603 1.00 0.00 H ATOM 1332 HZ2 LYS A 167 10.343 3.061 141.538 1.00 0.00 H ATOM 1333 HZ3 LYS A 167 9.508 4.479 141.115 1.00 0.00 H ATOM 1334 H LYS A 167 12.775 4.721 135.998 1.00 0.00 H ATOM 1335 N ASP A 168 13.052 1.747 134.512 1.00 34.72 N ATOM 1336 CA ASP A 168 13.056 0.597 133.592 1.00 40.59 C ATOM 1337 C ASP A 168 13.809 0.846 132.289 1.00 37.57 C ATOM 1338 O ASP A 168 13.561 0.169 131.314 1.00 39.40 O ATOM 1339 CB ASP A 168 11.665 0.090 133.224 1.00 47.04 C ATOM 1340 CG ASP A 168 10.703 1.195 132.977 1.00 51.68 C ATOM 1341 OD1 ASP A 168 11.022 2.104 132.158 1.00 48.86 O ATOM 1342 OD2 ASP A 168 9.643 1.123 133.663 1.00 56.93 O ATOM 1343 H ASP A 168 12.418 2.555 134.349 1.00 0.00 H ATOM 1344 N ALA A 169 14.688 1.826 132.253 1.00 34.75 N ATOM 1345 CA ALA A 169 15.717 1.865 131.198 1.00 34.11 C ATOM 1346 C ALA A 169 16.555 0.611 131.371 1.00 33.60 C ATOM 1347 O ALA A 169 16.715 0.093 132.464 1.00 32.06 O ATOM 1348 CB ALA A 169 16.605 3.108 131.350 1.00 32.05 C ATOM 1349 H ALA A 169 14.656 2.576 132.973 1.00 0.00 H ATOM 1350 N ASN A 170 17.125 0.122 130.298 1.00 36.25 N ATOM 1351 CA ASN A 170 18.062 -0.982 130.454 1.00 37.88 C ATOM 1352 C ASN A 170 19.514 -0.498 130.629 1.00 35.05 C ATOM 1353 O ASN A 170 20.144 -0.052 129.664 1.00 36.25 O ATOM 1354 CB ASN A 170 17.958 -1.920 129.273 1.00 41.46 C ATOM 1355 CG ASN A 170 18.917 -3.066 129.379 1.00 46.62 C ATOM 1356 OD1 ASN A 170 19.583 -3.261 130.414 1.00 46.83 O ATOM 1357 ND2 ASN A 170 19.020 -3.841 128.299 1.00 52.12 N ATOM 1358 HD22 ASN A 170 18.443 -3.639 127.457 1.00 0.00 H ATOM 1359 HD21 ASN A 170 19.677 -4.647 128.298 1.00 0.00 H ATOM 1360 H ASN A 170 16.914 0.513 129.358 1.00 0.00 H ATOM 1361 N PRO A 171 20.080 -0.670 131.829 1.00 33.15 N ATOM 1362 CA PRO A 171 21.395 -0.125 132.084 1.00 31.39 C ATOM 1363 C PRO A 171 22.454 -0.597 131.078 1.00 32.19 C ATOM 1364 O PRO A 171 23.339 0.190 130.717 1.00 30.81 O ATOM 1365 CB PRO A 171 21.706 -0.579 133.517 1.00 31.83 C ATOM 1366 CG PRO A 171 20.782 -1.710 133.788 1.00 34.12 C ATOM 1367 CD PRO A 171 19.549 -1.366 133.015 1.00 34.72 C ATOM 1368 N LYS A 172 22.353 -1.839 130.604 1.00 32.67 N ATOM 1369 CA LYS A 172 23.354 -2.362 129.677 1.00 33.29 C ATOM 1370 C LYS A 172 23.099 -1.994 128.208 1.00 31.97 C ATOM 1371 O LYS A 172 23.981 -2.135 127.386 1.00 33.03 O ATOM 1372 CB LYS A 172 23.490 -3.883 129.825 1.00 36.66 C ATOM 1373 CG LYS A 172 23.633 -4.356 131.266 1.00 38.61 C ATOM 1374 CD LYS A 172 24.241 -5.735 131.405 1.00 41.39 C ATOM 1375 CE LYS A 172 23.956 -6.293 132.791 1.00 43.62 C ATOM 1376 NZ LYS A 172 24.880 -7.411 133.144 1.00 47.55 N ATOM 1377 HZ1 LYS A 172 24.770 -8.181 132.454 1.00 0.00 H ATOM 1378 HZ2 LYS A 172 25.861 -7.067 133.127 1.00 0.00 H ATOM 1379 HZ3 LYS A 172 24.651 -7.761 134.096 1.00 0.00 H ATOM 1380 H LYS A 172 21.556 -2.440 130.896 1.00 0.00 H ATOM 1381 N ALA A 173 21.922 -1.504 127.872 1.00 30.69 N ATOM 1382 CA ALA A 173 21.643 -1.167 126.482 1.00 30.67 C ATOM 1383 C ALA A 173 22.298 0.144 126.070 1.00 29.34 C ATOM 1384 O ALA A 173 22.485 1.058 126.893 1.00 26.48 O ATOM 1385 CB ALA A 173 20.137 -1.066 126.258 1.00 30.91 C ATOM 1386 H ALA A 173 21.193 -1.358 128.599 1.00 0.00 H ATOM 1387 N ASN A 174 22.582 0.256 124.779 1.00 29.69 N ATOM 1388 CA ASN A 174 23.018 1.540 124.212 1.00 28.96 C ATOM 1389 C ASN A 174 21.928 2.544 124.440 1.00 27.46 C ATOM 1390 O ASN A 174 20.740 2.233 124.230 1.00 27.56 O ATOM 1391 CB ASN A 174 23.194 1.454 122.696 1.00 30.44 C ATOM 1392 CG ASN A 174 24.195 0.405 122.275 1.00 32.05 C ATOM 1393 OD1 ASN A 174 24.942 -0.132 123.099 1.00 32.81 O ATOM 1394 ND2 ASN A 174 24.220 0.106 120.977 1.00 33.24 N ATOM 1395 HD22 ASN A 174 23.571 0.585 120.320 1.00 0.00 H ATOM 1396 HD21 ASN A 174 24.888 -0.606 120.620 1.00 0.00 H ATOM 1397 H ASN A 174 22.495 -0.575 124.160 1.00 0.00 H ATOM 1398 N ALA A 175 22.300 3.740 124.865 1.00 25.17 N ATOM 1399 CA ALA A 175 21.308 4.779 125.130 1.00 23.59 C ATOM 1400 C ALA A 175 20.839 5.361 123.825 1.00 23.65 C ATOM 1401 O ALA A 175 21.614 5.544 122.877 1.00 24.16 O ATOM 1402 CB ALA A 175 21.925 5.869 125.988 1.00 22.71 C ATOM 1403 H ALA A 175 23.309 3.943 125.012 1.00 0.00 H ATOM 1404 N THR A 176 19.571 5.654 123.739 1.00 23.45 N ATOM 1405 CA THR A 176 19.072 6.402 122.577 1.00 24.43 C ATOM 1406 C THR A 176 19.353 7.864 122.769 1.00 23.78 C ATOM 1407 O THR A 176 19.499 8.356 123.898 1.00 22.88 O ATOM 1408 CB THR A 176 17.552 6.277 122.405 1.00 24.71 C ATOM 1409 OG1 THR A 176 16.865 6.890 123.515 1.00 23.55 O ATOM 1410 CG2 THR A 176 17.181 4.813 122.228 1.00 25.40 C ATOM 1411 HG1 THR A 176 17.132 6.440 124.356 1.00 0.00 H ATOM 1412 H THR A 176 18.915 5.359 124.490 1.00 0.00 H ATOM 1413 N ARG A 177 19.339 8.553 121.674 1.00 24.37 N ATOM 1414 CA ARG A 177 19.544 9.972 121.667 1.00 24.89 C ATOM 1415 C ARG A 177 18.489 10.656 122.463 1.00 24.71 C ATOM 1416 O ARG A 177 18.792 11.601 123.161 1.00 25.17 O ATOM 1417 CB ARG A 177 19.590 10.502 120.198 1.00 26.69 C ATOM 1418 CG ARG A 177 20.954 10.253 119.546 1.00 27.39 C ATOM 1419 CD ARG A 177 20.933 10.428 118.036 1.00 29.87 C ATOM 1420 NE ARG A 177 20.568 11.808 117.669 1.00 31.09 N ATOM 1421 CZ ARG A 177 21.424 12.832 117.584 1.00 31.74 C ATOM 1422 NH1 ARG A 177 22.713 12.641 117.774 1.00 30.16 N ATOM 1423 NH2 ARG A 177 20.980 14.044 117.255 1.00 33.62 N ATOM 1424 HE ARG A 177 19.568 12.000 117.460 1.00 0.00 H ATOM 1425 HH12 ARG A 177 23.373 13.442 117.706 1.00 0.00 H ATOM 1426 HH11 ARG A 177 23.071 11.689 117.992 1.00 0.00 H ATOM 1427 HH22 ARG A 177 21.645 14.841 117.189 1.00 0.00 H ATOM 1428 HH21 ARG A 177 19.969 14.193 117.065 1.00 0.00 H ATOM 1429 H ARG A 177 19.174 8.063 120.772 1.00 0.00 H ATOM 1430 N ALA A 178 17.241 10.182 122.368 1.00 25.09 N ATOM 1431 CA ALA A 178 16.153 10.692 123.215 1.00 24.69 C ATOM 1432 C ALA A 178 16.505 10.595 124.689 1.00 23.15 C ATOM 1433 O ALA A 178 16.388 11.570 125.414 1.00 23.14 O ATOM 1434 CB ALA A 178 14.873 9.934 122.967 1.00 25.24 C ATOM 1435 H ALA A 178 17.035 9.433 121.677 1.00 0.00 H ATOM 1436 N GLN A 179 16.922 9.420 125.122 1.00 21.84 N ATOM 1437 CA GLN A 179 17.249 9.238 126.505 1.00 20.79 C ATOM 1438 C GLN A 179 18.396 10.182 126.934 1.00 19.93 C ATOM 1439 O GLN A 179 18.443 10.664 128.076 1.00 19.15 O ATOM 1440 CB GLN A 179 17.678 7.797 126.727 1.00 20.76 C ATOM 1441 CG GLN A 179 16.541 6.827 126.690 1.00 21.38 C ATOM 1442 CD GLN A 179 17.004 5.377 126.806 1.00 22.14 C ATOM 1443 OE1 GLN A 179 17.820 4.882 126.031 1.00 20.73 O ATOM 1444 NE2 GLN A 179 16.447 4.669 127.826 1.00 22.48 N ATOM 1445 HE22 GLN A 179 15.760 5.124 128.460 1.00 0.00 H ATOM 1446 HE21 GLN A 179 16.708 3.673 127.971 1.00 0.00 H ATOM 1447 H GLN A 179 17.013 8.625 124.458 1.00 0.00 H ATOM 1448 N LEU A 180 19.328 10.410 126.022 1.00 20.29 N ATOM 1449 CA LEU A 180 20.520 11.234 126.316 1.00 20.50 C ATOM 1450 C LEU A 180 20.133 12.702 126.329 1.00 21.70 C ATOM 1451 O LEU A 180 20.630 13.459 127.145 1.00 21.76 O ATOM 1452 CB LEU A 180 21.635 10.969 125.328 1.00 21.07 C ATOM 1453 CG LEU A 180 22.198 9.529 125.334 1.00 20.93 C ATOM 1454 CD1 LEU A 180 23.142 9.281 124.153 1.00 21.85 C ATOM 1455 CD2 LEU A 180 22.896 9.223 126.636 1.00 19.99 C ATOM 1456 H LEU A 180 19.219 9.998 125.073 1.00 0.00 H ATOM 1457 N VAL A 181 19.212 13.104 125.456 1.00 22.46 N ATOM 1458 CA VAL A 181 18.701 14.482 125.491 1.00 23.21 C ATOM 1459 C VAL A 181 18.006 14.736 126.828 1.00 22.84 C ATOM 1460 O VAL A 181 18.180 15.784 127.451 1.00 23.09 O ATOM 1461 CB VAL A 181 17.710 14.743 124.345 1.00 24.33 C ATOM 1462 CG1 VAL A 181 16.897 16.008 124.627 1.00 25.51 C ATOM 1463 CG2 VAL A 181 18.463 14.841 123.013 1.00 25.02 C ATOM 1464 H VAL A 181 18.851 12.438 124.743 1.00 0.00 H ATOM 1465 N GLU A 182 17.207 13.762 127.253 1.00 22.06 N ATOM 1466 CA GLU A 182 16.482 13.883 128.504 1.00 21.99 C ATOM 1467 C GLU A 182 17.413 13.940 129.696 1.00 21.30 C ATOM 1468 O GLU A 182 17.228 14.782 130.555 1.00 22.62 O ATOM 1469 CB GLU A 182 15.421 12.745 128.682 1.00 21.84 C ATOM 1470 CG GLU A 182 14.203 12.835 127.720 1.00 22.43 C ATOM 1471 CD GLU A 182 13.240 14.015 127.993 1.00 23.75 C ATOM 1472 OE1 GLU A 182 13.032 14.353 129.180 1.00 23.76 O ATOM 1473 OE2 GLU A 182 12.619 14.564 127.040 1.00 24.60 O ATOM 1474 H GLU A 182 17.100 12.901 126.680 1.00 0.00 H ATOM 1475 N ALA A 183 18.377 13.020 129.758 1.00 20.29 N ATOM 1476 CA ALA A 183 19.357 12.986 130.821 1.00 19.63 C ATOM 1477 C ALA A 183 20.185 14.265 130.854 1.00 20.20 C ATOM 1478 O ALA A 183 20.475 14.820 131.952 1.00 20.21 O ATOM 1479 CB ALA A 183 20.266 11.763 130.687 1.00 18.92 C ATOM 1480 H ALA A 183 18.426 12.298 129.011 1.00 0.00 H ATOM 1481 N ALA A 184 20.614 14.708 129.674 1.00 20.35 N ATOM 1482 CA ALA A 184 21.433 15.916 129.584 1.00 21.39 C ATOM 1483 C ALA A 184 20.682 17.145 130.007 1.00 22.82 C ATOM 1484 O ALA A 184 21.176 17.943 130.821 1.00 24.16 O ATOM 1485 CB ALA A 184 22.023 16.111 128.206 1.00 22.06 C ATOM 1486 H ALA A 184 20.364 14.190 128.808 1.00 0.00 H ATOM 1487 N PHE A 185 19.444 17.259 129.563 1.00 23.48 N ATOM 1488 CA PHE A 185 18.643 18.399 129.920 1.00 24.40 C ATOM 1489 C PHE A 185 18.382 18.490 131.424 1.00 24.86 C ATOM 1490 O PHE A 185 18.460 19.568 132.031 1.00 26.39 O ATOM 1491 CB PHE A 185 17.336 18.333 129.168 1.00 24.92 C ATOM 1492 CG PHE A 185 16.553 19.576 129.268 1.00 26.78 C ATOM 1493 CD1 PHE A 185 16.773 20.599 128.354 1.00 28.74 C ATOM 1494 CD2 PHE A 185 15.636 19.754 130.293 1.00 27.15 C ATOM 1495 CE1 PHE A 185 16.050 21.779 128.440 1.00 31.25 C ATOM 1496 CE2 PHE A 185 14.890 20.918 130.389 1.00 29.58 C ATOM 1497 CZ PHE A 185 15.093 21.939 129.463 1.00 31.57 C ATOM 1498 H PHE A 185 19.045 16.519 128.951 1.00 0.00 H ATOM 1499 N ALA A 186 18.022 17.357 132.018 1.00 24.13 N ATOM 1500 CA ALA A 186 17.810 17.263 133.445 1.00 24.20 C ATOM 1501 C ALA A 186 19.074 17.566 134.262 1.00 24.48 C ATOM 1502 O ALA A 186 19.001 18.188 135.310 1.00 24.90 O ATOM 1503 CB ALA A 186 17.252 15.880 133.804 1.00 23.10 C ATOM 1504 H ALA A 186 17.888 16.506 131.435 1.00 0.00 H ATOM 1505 N ALA A 187 20.205 17.066 133.808 1.00 24.77 N ATOM 1506 CA ALA A 187 21.479 17.352 134.429 1.00 25.67 C ATOM 1507 C ALA A 187 21.832 18.841 134.433 1.00 29.12 C ATOM 1508 O ALA A 187 22.302 19.387 135.454 1.00 29.85 O ATOM 1509 CB ALA A 187 22.555 16.601 133.710 1.00 24.63 C ATOM 1510 H ALA A 187 20.181 16.444 132.975 1.00 0.00 H ATOM 1511 N ASP A 188 21.623 19.494 133.300 1.00 32.12 N ATOM 1512 CA ASP A 188 21.924 20.913 133.161 1.00 36.14 C ATOM 1513 C ASP A 188 21.045 21.739 134.079 1.00 39.60 C ATOM 1514 O ASP A 188 21.470 22.771 134.585 1.00 38.60 O ATOM 1515 CB ASP A 188 21.733 21.345 131.707 1.00 39.08 C ATOM 1516 CG ASP A 188 22.095 22.801 131.473 1.00 43.36 C ATOM 1517 OD1 ASP A 188 23.085 23.268 132.029 1.00 48.74 O ATOM 1518 OD2 ASP A 188 21.393 23.509 130.744 1.00 47.45 O ATOM 1519 H ASP A 188 21.232 18.979 132.485 1.00 0.00 H ATOM 1520 N GLU A 189 19.803 21.286 134.272 1.00 43.14 N ATOM 1521 CA GLU A 189 18.930 21.859 135.298 1.00 48.80 C ATOM 1522 C GLU A 189 19.538 21.762 136.686 1.00 49.88 C ATOM 1523 O GLU A 189 19.466 22.700 137.468 1.00 50.50 O ATOM 1524 CB GLU A 189 17.580 21.131 135.350 1.00 53.60 C ATOM 1525 CG GLU A 189 16.659 21.405 134.187 1.00 59.37 C ATOM 1526 CD GLU A 189 15.984 22.771 134.257 1.00 64.83 C ATOM 1527 OE1 GLU A 189 16.119 23.464 135.310 1.00 66.58 O ATOM 1528 OE2 GLU A 189 15.320 23.135 133.247 1.00 67.57 O ATOM 1529 H GLU A 189 19.448 20.508 133.680 1.00 0.00 H ATOM 1530 N MET A 190 20.098 20.609 137.015 1.00 52.54 N ATOM 1531 CA MET A 190 20.662 20.418 138.343 1.00 55.74 C ATOM 1532 C MET A 190 21.915 21.231 138.619 1.00 59.02 C ATOM 1533 O MET A 190 22.332 21.353 139.764 1.00 62.45 O ATOM 1534 CB MET A 190 20.981 18.976 138.560 1.00 56.06 C ATOM 1535 CG MET A 190 19.777 18.139 138.866 1.00 56.59 C ATOM 1536 SD MET A 190 20.408 16.598 139.550 1.00 60.09 S ATOM 1537 CE MET A 190 19.556 15.469 138.498 1.00 51.68 C ATOM 1538 H MET A 190 20.135 19.835 136.321 1.00 0.00 H ATOM 1539 N SER A 191 22.520 21.795 137.586 1.00 61.11 N ATOM 1540 CA SER A 191 23.529 22.827 137.791 1.00 63.81 C ATOM 1541 C SER A 191 22.952 24.253 137.911 1.00 73.26 C ATOM 1542 O SER A 191 23.160 25.076 137.019 1.00 74.28 O ATOM 1543 CB SER A 191 24.464 22.711 136.627 1.00 58.65 C ATOM 1544 OG SER A 191 24.733 21.344 136.514 1.00 51.37 O ATOM 1545 HG SER A 191 23.887 20.855 136.354 1.00 0.00 H ATOM 1546 H SER A 191 22.274 21.500 136.620 1.00 0.00 H ATOM 1547 N LYS A 192 22.224 24.519 139.008 1.00 85.88 N ATOM 1548 CA LYS A 192 21.675 25.861 139.365 1.00 99.54 C ATOM 1549 C LYS A 192 21.068 26.626 138.186 1.00101.07 C ATOM 1550 O LYS A 192 20.618 26.028 137.210 1.00 97.65 O ATOM 1551 CB LYS A 192 22.736 26.748 140.063 1.00105.76 C ATOM 1552 CG LYS A 192 22.644 26.810 141.589 1.00109.46 C ATOM 1553 CD LYS A 192 22.633 25.435 142.266 1.00111.02 C ATOM 1554 CE LYS A 192 23.823 24.545 141.890 1.00110.95 C ATOM 1555 NZ LYS A 192 25.156 25.194 142.046 1.00113.90 N ATOM 1556 HZ1 LYS A 192 25.204 26.036 141.437 1.00 0.00 H ATOM 1557 HZ2 LYS A 192 25.290 25.474 143.039 1.00 0.00 H ATOM 1558 HZ3 LYS A 192 25.901 24.523 141.771 1.00 0.00 H ATOM 1559 H LYS A 192 22.028 23.731 139.658 1.00 0.00 H TER 1560 LYS A 192 HETATM 1561 O HOH 1 27.355 -0.472 129.527 1.00 30.13 O HETATM 1562 O HOH 2 16.672 -0.856 143.107 1.00 42.55 O HETATM 1563 O HOH 3 29.800 11.149 143.026 1.00 21.78 O HETATM 1564 O HOH 4 8.067 18.786 120.101 1.00 29.66 O HETATM 1565 O HOH 5 48.037 18.813 127.791 1.00 25.35 O HETATM 1566 O HOH 6 28.139 13.114 147.679 1.00 31.65 O HETATM 1567 O HOH 7 28.163 6.206 148.170 1.00 34.82 O HETATM 1568 O HOH 8 22.361 9.819 144.843 1.00 19.71 O HETATM 1569 O HOH 9 24.059 4.989 122.200 1.00 29.04 O HETATM 1570 O HOH 10 29.899 1.041 125.345 1.00 20.49 O HETATM 1571 O HOH 11 12.137 5.733 137.166 1.00 25.60 O HETATM 1572 O HOH 12 32.483 1.272 140.215 1.00 31.30 O HETATM 1573 O HOH 13 17.040 9.814 130.105 1.00 22.32 O HETATM 1574 O HOH 14 27.583 -7.885 136.195 1.00 42.94 O HETATM 1575 O HOH 15 14.054 7.986 137.191 1.00 26.56 O HETATM 1576 O HOH 16 16.250 -1.529 134.492 1.00 26.27 O HETATM 1577 O HOH 17 15.101 16.311 130.948 1.00 27.38 O HETATM 1578 O HOH 18 18.595 2.350 125.790 1.00 25.12 O HETATM 1579 O HOH 19 39.572 9.857 134.076 1.00 26.85 O HETATM 1580 O HOH 20 10.957 2.586 143.006 1.00 29.37 O HETATM 1581 O HOH 21 30.490 11.500 148.562 1.00 44.90 O HETATM 1582 O HOH 22 28.508 1.989 140.587 1.00 38.42 O HETATM 1583 O HOH 23 44.215 16.382 119.632 1.00 35.64 O HETATM 1584 O HOH 24 25.258 -0.788 144.127 1.00 38.52 O HETATM 1585 O HOH 25 16.938 1.536 127.942 1.00 24.96 O HETATM 1586 O HOH 26 36.296 7.652 135.480 1.00 27.55 O HETATM 1587 O HOH 27 20.546 10.589 143.037 1.00 21.70 O HETATM 1588 O HOH 28 24.309 10.188 117.965 1.00 21.09 O HETATM 1589 O HOH 29 12.608 12.591 131.271 1.00 31.26 O HETATM 1590 O HOH 30 39.831 19.638 130.642 1.00 47.80 O HETATM 1591 O HOH 31 31.608 9.486 116.387 1.00 31.86 O HETATM 1592 O HOH 32 17.532 -2.402 136.597 1.00 31.14 O HETATM 1593 O HOH 33 30.738 -2.783 131.216 1.00 34.40 O HETATM 1594 O HOH 34 38.376 18.861 132.461 1.00 36.55 O HETATM 1595 O HOH 35 46.885 4.394 118.184 1.00 39.22 O HETATM 1596 O HOH 36 31.511 13.319 142.083 1.00 30.64 O HETATM 1597 O HOH 37 21.433 -1.848 123.129 1.00 28.63 O HETATM 1598 O HOH 38 30.992 8.953 147.554 1.00 34.46 O HETATM 1599 O HOH 39 22.674 19.495 111.147 1.00 40.05 O HETATM 1600 O HOH 40 13.570 15.207 114.413 1.00 32.05 O HETATM 1601 O HOH 41 38.261 21.676 131.925 1.00 40.31 O HETATM 1602 O HOH 42 28.120 17.222 119.187 1.00 47.47 O HETATM 1603 O HOH 43 24.851 -7.674 136.123 1.00 44.09 O HETATM 1604 O HOH 44 14.506 5.835 129.858 1.00 21.74 O HETATM 1605 O HOH 45 23.024 12.118 146.421 1.00 16.61 O HETATM 1606 O HOH 46 9.585 14.751 121.161 1.00 27.42 O HETATM 1607 O HOH 47 18.282 22.591 131.247 1.00 38.46 O HETATM 1608 O HOH 48 40.818 -2.261 133.358 1.00 47.64 O HETATM 1609 O HOH 49 38.083 4.618 113.242 1.00 39.55 O HETATM 1610 O HOH 50 27.790 -1.022 124.114 1.00 33.30 O HETATM 1611 O HOH 51 13.528 12.287 115.771 1.00 38.32 O HETATM 1612 O HOH 52 13.945 9.813 133.796 1.00 34.94 O HETATM 1613 O HOH 53 28.991 -0.797 120.521 1.00 29.84 O HETATM 1614 O HOH 54 14.981 8.477 114.605 1.00 27.63 O HETATM 1615 O HOH 55 26.850 -0.755 118.250 1.00 50.87 O HETATM 1616 O HOH 56 29.884 13.337 149.806 1.00 30.63 O HETATM 1617 O HOH 57 31.744 -2.962 127.534 1.00 41.28 O HETATM 1618 O HOH 58 32.597 -3.668 125.192 1.00 48.03 O HETATM 1619 O HOH 59 22.664 -9.273 139.471 1.00 45.90 O HETATM 1620 O HOH 60 15.676 6.191 114.734 1.00 36.52 O HETATM 1621 O HOH 61 41.485 17.387 116.648 1.00 32.20 O HETATM 1622 O HOH 62 22.738 4.052 115.332 1.00 43.32 O HETATM 1623 O HOH 63 31.207 21.152 135.944 1.00 43.32 O HETATM 1624 O HOH 64 12.470 9.878 135.800 1.00 28.54 O HETATM 1625 O HOH 65 17.760 4.084 147.629 1.00 43.93 O HETATM 1626 O HOH 66 12.636 7.918 142.058 1.00 46.72 O HETATM 1627 O HOH 67 11.618 12.465 136.369 1.00 28.95 O HETATM 1628 O HOH 68 12.616 0.441 142.045 1.00 40.24 O HETATM 1629 O HOH 69 29.198 -0.996 145.479 1.00 39.13 O HETATM 1630 O HOH 70 30.627 14.034 147.478 1.00 33.57 O HETATM 1631 O HOH 71 31.632 13.677 145.132 1.00 21.32 O HETATM 1632 O HOH 72 46.211 19.982 129.817 1.00 38.30 O HETATM 1633 O HOH 73 41.531 7.683 134.333 1.00 39.55 O HETATM 1634 O HOH 74 31.533 6.187 146.368 1.00 35.82 O HETATM 1635 C8 UNN A 75 38.296 0.845 133.420 1.00 0.03 C HETATM 1636 C7 UNN A 75 36.883 0.462 133.816 1.00 0.17 C HETATM 1637 O7 UNN A 75 36.633 -0.182 134.819 1.00 -0.40 O HETATM 1638 N2 UNN A 75 35.931 0.920 133.017 1.00 -0.28 N HETATM 1639 C2 UNN A 75 34.516 0.595 133.276 1.00 0.12 C HETATM 1640 C3 UNN A 75 33.741 1.885 133.580 1.00 0.11 C HETATM 1641 O3 UNN A 75 34.393 2.543 134.751 1.00 -0.39 O HETATM 1642 H7 UNN A 75 35.297 2.743 134.538 1.00 0.21 H HETATM 1643 C4 UNN A 75 33.766 2.719 132.332 1.00 0.12 C HETATM 1644 O4 UNN A 75 32.925 3.763 132.530 1.00 -0.34 O HETATM 1645 CAB UNN A 75 32.892 4.551 131.331 1.00 0.22 C HETATM 1646 CAK UNN A 75 31.896 5.695 131.560 1.00 -0.00 C HETATM 1647 H9 UNN A 75 31.845 6.322 130.658 1.00 0.03 H HETATM 1648 H10 UNN A 75 32.228 6.305 132.413 1.00 0.03 H HETATM 1649 H11 UNN A 75 30.901 5.278 131.774 1.00 0.03 H HETATM 1650 CAL UNN A 75 34.268 5.158 131.177 1.00 0.10 C HETATM 1651 OAN UNN A 75 34.716 5.477 130.031 1.00 -0.54 O HETATM 1652 OAM UNN A 75 34.800 5.440 132.297 1.00 -0.54 O HETATM 1653 O6 UNN A 75 32.471 3.840 130.164 1.00 -0.34 O HETATM 1654 C6 UNN A 75 33.295 2.713 129.882 1.00 0.08 C HETATM 1655 C5 UNN A 75 33.260 1.899 131.130 1.00 0.11 C HETATM 1656 O5 UNN A 75 34.140 0.753 130.915 1.00 -0.34 O HETATM 1657 C1 UNN A 75 34.025 -0.107 132.065 1.00 0.18 C HETATM 1658 O1 UNN A 75 34.839 -1.275 131.902 1.00 -0.35 O HETATM 1659 CAU UNN A 75 34.485 -2.052 130.747 1.00 0.04 C HETATM 1660 H16 UNN A 75 35.144 -2.930 130.680 1.00 0.05 H HETATM 1661 H17 UNN A 75 34.600 -1.437 129.842 1.00 0.05 H HETATM 1662 H18 UNN A 75 33.440 -2.384 130.835 1.00 0.05 H HETATM 1663 H15 UNN A 75 32.973 -0.398 132.198 1.00 0.09 H HETATM 1664 H14 UNN A 75 32.233 1.558 131.327 1.00 0.06 H HETATM 1665 H12 UNN A 75 34.323 3.031 129.655 1.00 0.06 H HETATM 1666 H13 UNN A 75 32.892 2.140 129.034 1.00 0.06 H HETATM 1667 H8 UNN A 75 34.787 3.078 132.136 1.00 0.06 H HETATM 1668 H6 UNN A 75 32.697 1.651 133.836 1.00 0.06 H HETATM 1669 H5 UNN A 75 34.436 -0.077 134.143 1.00 0.06 H HETATM 1670 H4 UNN A 75 36.174 1.490 132.232 1.00 0.19 H HETATM 1671 H1 UNN A 75 38.271 1.421 132.483 1.00 0.05 H HETATM 1672 H2 UNN A 75 38.896 -0.066 133.274 1.00 0.05 H HETATM 1673 H3 UNN A 75 38.746 1.457 134.215 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1635 1636 1671 1672 1673 CONECT 1636 1635 1637 1638 CONECT 1637 1636 CONECT 1638 1636 1639 1670 CONECT 1639 1638 1640 1657 1669 CONECT 1640 1639 1641 1643 1668 CONECT 1641 1640 1642 CONECT 1642 1641 CONECT 1643 1640 1644 1655 1667 CONECT 1644 1643 1645 CONECT 1645 1644 1646 1650 1653 CONECT 1646 1645 1647 1648 1649 CONECT 1647 1646 CONECT 1648 1646 CONECT 1649 1646 CONECT 1650 1645 1651 1652 CONECT 1651 1650 CONECT 1652 1650 CONECT 1653 1645 1654 CONECT 1654 1653 1655 1665 1666 CONECT 1655 1643 1654 1656 1664 CONECT 1656 1655 1657 CONECT 1657 1639 1656 1658 1663 CONECT 1658 1657 1659 CONECT 1659 1658 1660 1661 1662 CONECT 1660 1659 CONECT 1661 1659 CONECT 1662 1659 CONECT 1663 1657 CONECT 1664 1655 CONECT 1665 1654 CONECT 1666 1654 CONECT 1667 1643 CONECT 1668 1640 CONECT 1669 1639 CONECT 1670 1638 CONECT 1671 1635 CONECT 1672 1635 CONECT 1673 1635 MASTER 0 0 0 0 0 0 0 0 1672 1 43 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6cwi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6cwf
RCSB PDB
PDBbind
182aa, >6CWF_1|Chains... *
6cwh
RCSB PDB
PDBbind
182aa, >6CWH_1|Chains... at 100%
6cwn
RCSB PDB
PDBbind
182aa, >6CWN_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6cwf
RCSB PDB
PDBbind
6LA
6cwh
RCSB PDB
PDBbind
6LA
6cwn
RCSB PDB
PDBbind
6LA
Entry Information
PDB ID
6cwi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Surface (S-) layer glycoprotein
Ligand Name
6LA
EC.Number
E.C.-.-.-.-
Resolution
2.16(Å)
Affinity (Kd/Ki/IC50)
Kd=29nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 3120-3120
Ligand Properties
Formula
C
1
2
H
1
9
NO
8
Molecular Weight
305.281
Exact Mass
305.111
No. of atoms
40
No. of bonds
41
Polar Surface Area
123.55
LOGP Value
-0.96 (
Computed with XLOGP3
)
-1.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
Canonical SMILES
CO[C@@H]1O[C@@H]2CO[C@](O[C@H]2[C@@H]([C@@H]1NC(=O)C)O)(C)C(=O)O
InChI String
InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/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):
C1JZ07
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓