Browse entries in the PDBbind-CN Database
HEADER 4LKT_COMPLEX COMPND 4LKT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 137 ASN ALA MET ALA THR VAL GLN GLN LEU GLU GLY ARG TRP SEQRES 2 A 137 ARG LEU VAL ASP SER LYS GLY PHE ASP GLU TYR MET LYS SEQRES 3 A 137 GLU LEU GLY VAL GLY ILE ALA LEU ARG LYS MET GLY ALA SEQRES 4 A 137 MET ALA LYS PRO ASP CYS ILE ILE THR CYS ASP GLY LYS SEQRES 5 A 137 ASN LEU THR ILE LYS THR GLU SER THR LEU LYS THR THR SEQRES 6 A 137 GLN PHE SER CYS THR LEU GLY GLU LYS PHE GLU GLU THR SEQRES 7 A 137 THR ALA ASP GLY ARG LYS THR GLN THR VAL CYS ASN PHE SEQRES 8 A 137 THR ASP GLY ALA LEU VAL GLN HIS GLN GLU TRP ASP GLY SEQRES 9 A 137 LYS GLU SER THR ILE THR ARG LYS LEU LYS ASP GLY LYS SEQRES 10 A 137 LEU VAL VAL GLU CYS VAL MET ASN ASN VAL THR CYS THR SEQRES 11 A 137 ARG ILE TYR GLU LYS VAL GLU HET EIC A 160 53 ATOM 1 N ASN A -1 23.206 4.457 -21.188 1.00 73.76 N ATOM 2 CA ASN A -1 22.856 3.051 -21.024 1.00 83.04 C ATOM 3 C ASN A -1 21.340 2.840 -21.018 1.00 85.90 C ATOM 4 O ASN A -1 20.803 2.090 -20.200 1.00 82.69 O ATOM 5 CB ASN A -1 23.492 2.488 -19.751 1.00 72.52 C ATOM 6 CG ASN A -1 23.443 0.975 -19.691 1.00 86.45 C ATOM 7 OD1 ASN A -1 23.700 0.294 -20.684 1.00 95.97 O ATOM 8 ND2 ASN A -1 23.099 0.442 -18.525 1.00 77.72 N ATOM 9 HD22 ASN A -1 22.891 1.058 -17.713 1.00 0.00 H ATOM 10 HD21 ASN A -1 23.038 -0.591 -18.423 1.00 0.00 H ATOM 11 HN3 ASN A -1 22.802 5.007 -20.403 1.00 0.00 H ATOM 12 HN2 ASN A -1 22.824 4.805 -22.090 1.00 0.00 H ATOM 13 HN1 ASN A -1 24.241 4.558 -21.187 1.00 0.00 H ATOM 14 N ALA A 0 20.661 3.527 -21.933 1.00 80.56 N ATOM 15 CA ALA A 0 19.226 3.357 -22.159 1.00 80.65 C ATOM 16 C ALA A 0 18.336 3.659 -20.952 1.00 83.04 C ATOM 17 O ALA A 0 18.690 4.451 -20.077 1.00 60.33 O ATOM 18 CB ALA A 0 18.928 1.961 -22.710 1.00 57.15 C ATOM 19 H ALA A 0 21.175 4.218 -22.516 1.00 0.00 H ATOM 20 N MET A 1 17.175 3.012 -20.926 1.00 72.18 N ATOM 21 CA MET A 1 16.139 3.297 -19.942 1.00 63.88 C ATOM 22 C MET A 1 15.734 2.043 -19.178 1.00 69.48 C ATOM 23 O MET A 1 14.555 1.691 -19.121 1.00 50.23 O ATOM 24 CB MET A 1 14.924 3.894 -20.647 1.00 63.99 C ATOM 25 CG MET A 1 14.654 3.270 -22.009 1.00 77.30 C ATOM 26 SD MET A 1 13.561 4.264 -23.039 1.00 87.93 S ATOM 27 CE MET A 1 13.782 3.474 -24.631 1.00 48.26 C ATOM 28 H MET A 1 16.999 2.273 -21.636 1.00 0.00 H ATOM 29 N ALA A 2 16.720 1.376 -18.589 1.00 51.78 N ATOM 30 CA ALA A 2 16.474 0.150 -17.842 1.00 48.27 C ATOM 31 C ALA A 2 15.883 0.440 -16.466 1.00 47.79 C ATOM 32 O ALA A 2 16.048 1.534 -15.925 1.00 53.03 O ATOM 33 CB ALA A 2 17.760 -0.652 -17.708 1.00 43.77 C ATOM 34 H ALA A 2 17.692 1.738 -18.663 1.00 0.00 H ATOM 35 N THR A 3 15.188 -0.547 -15.910 1.00 49.35 N ATOM 36 CA THR A 3 14.663 -0.454 -14.554 1.00 46.82 C ATOM 37 C THR A 3 15.648 -1.071 -13.573 1.00 45.43 C ATOM 38 O THR A 3 16.379 -1.999 -13.919 1.00 43.72 O ATOM 39 CB THR A 3 13.316 -1.190 -14.414 1.00 52.21 C ATOM 40 OG1 THR A 3 13.212 -2.198 -15.427 1.00 60.59 O ATOM 41 CG2 THR A 3 12.158 -0.224 -14.554 1.00 64.34 C ATOM 42 HG1 THR A 3 12.346 -2.669 -15.335 1.00 0.00 H ATOM 43 H THR A 3 15.013 -1.412 -16.460 1.00 0.00 H ATOM 44 N VAL A 4 15.660 -0.560 -12.346 1.00 46.12 N ATOM 45 CA VAL A 4 16.516 -1.112 -11.304 1.00 38.48 C ATOM 46 C VAL A 4 16.020 -2.502 -10.905 1.00 41.10 C ATOM 47 O VAL A 4 16.763 -3.299 -10.332 1.00 49.49 O ATOM 48 CB VAL A 4 16.576 -0.187 -10.066 1.00 38.21 C ATOM 49 CG1 VAL A 4 15.278 -0.261 -9.276 1.00 28.39 C ATOM 50 CG2 VAL A 4 17.765 -0.544 -9.184 1.00 31.59 C ATOM 51 H VAL A 4 15.046 0.250 -12.125 1.00 0.00 H ATOM 52 N GLN A 5 14.761 -2.791 -11.227 1.00 52.18 N ATOM 53 CA GLN A 5 14.169 -4.093 -10.937 1.00 45.64 C ATOM 54 C GLN A 5 14.821 -5.205 -11.754 1.00 39.86 C ATOM 55 O GLN A 5 14.813 -6.368 -11.351 1.00 47.52 O ATOM 56 CB GLN A 5 12.658 -4.075 -11.186 1.00 39.40 C ATOM 57 CG GLN A 5 11.839 -3.446 -10.066 1.00 74.16 C ATOM 58 CD GLN A 5 11.864 -1.929 -10.090 1.00 85.95 C ATOM 59 OE1 GLN A 5 12.113 -1.317 -11.129 1.00 73.65 O ATOM 60 NE2 GLN A 5 11.604 -1.315 -8.941 1.00 62.80 N ATOM 61 HE22 GLN A 5 11.399 -1.873 -8.088 1.00 0.00 H ATOM 62 HE21 GLN A 5 11.606 -0.276 -8.895 1.00 0.00 H ATOM 63 H GLN A 5 14.182 -2.067 -11.699 1.00 0.00 H ATOM 64 N GLN A 6 15.388 -4.842 -12.901 1.00 38.49 N ATOM 65 CA GLN A 6 16.075 -5.805 -13.754 1.00 32.92 C ATOM 66 C GLN A 6 17.357 -6.306 -13.095 1.00 44.49 C ATOM 67 O GLN A 6 17.895 -7.347 -13.473 1.00 47.12 O ATOM 68 CB GLN A 6 16.396 -5.182 -15.113 1.00 41.79 C ATOM 69 CG GLN A 6 15.174 -4.729 -15.894 1.00 55.16 C ATOM 70 CD GLN A 6 15.539 -3.955 -17.146 1.00 74.62 C ATOM 71 OE1 GLN A 6 16.707 -3.881 -17.527 1.00 68.94 O ATOM 72 NE2 GLN A 6 14.537 -3.368 -17.791 1.00 62.26 N ATOM 73 HE22 GLN A 6 13.565 -3.457 -17.433 1.00 0.00 H ATOM 74 HE21 GLN A 6 14.725 -2.819 -18.654 1.00 0.00 H ATOM 75 H GLN A 6 15.340 -3.846 -13.197 1.00 0.00 H ATOM 76 N LEU A 7 17.841 -5.556 -12.109 1.00 44.04 N ATOM 77 CA LEU A 7 19.058 -5.915 -11.392 1.00 37.62 C ATOM 78 C LEU A 7 18.756 -6.740 -10.147 1.00 40.04 C ATOM 79 O LEU A 7 19.637 -7.415 -9.613 1.00 31.34 O ATOM 80 CB LEU A 7 19.832 -4.658 -10.989 1.00 31.35 C ATOM 81 CG LEU A 7 20.363 -3.764 -12.109 1.00 33.36 C ATOM 82 CD1 LEU A 7 21.166 -2.613 -11.526 1.00 38.28 C ATOM 83 CD2 LEU A 7 21.205 -4.570 -13.083 1.00 39.35 C ATOM 84 H LEU A 7 17.336 -4.687 -11.842 1.00 0.00 H ATOM 85 N GLU A 8 17.510 -6.677 -9.686 1.00 36.09 N ATOM 86 CA GLU A 8 17.120 -7.350 -8.451 1.00 42.38 C ATOM 87 C GLU A 8 17.282 -8.861 -8.523 1.00 40.13 C ATOM 88 O GLU A 8 17.175 -9.462 -9.593 1.00 37.78 O ATOM 89 CB GLU A 8 15.679 -7.007 -8.068 1.00 42.79 C ATOM 90 CG GLU A 8 15.496 -5.612 -7.501 1.00 55.53 C ATOM 91 CD GLU A 8 14.244 -5.494 -6.655 1.00 63.97 C ATOM 92 OE1 GLU A 8 13.433 -4.580 -6.913 1.00 72.77 O ATOM 93 OE2 GLU A 8 14.073 -6.314 -5.729 1.00 63.72 O ATOM 94 H GLU A 8 16.798 -6.136 -10.217 1.00 0.00 H ATOM 95 N GLY A 9 17.545 -9.468 -7.372 1.00 33.76 N ATOM 96 CA GLY A 9 17.627 -10.910 -7.286 1.00 30.69 C ATOM 97 C GLY A 9 18.974 -11.447 -6.853 1.00 42.34 C ATOM 98 O GLY A 9 19.811 -10.725 -6.312 1.00 40.32 O ATOM 99 H GLY A 9 17.695 -8.896 -6.516 1.00 0.00 H ATOM 100 N ARG A 10 19.174 -12.733 -7.112 1.00 40.39 N ATOM 101 CA ARG A 10 20.350 -13.452 -6.653 1.00 31.97 C ATOM 102 C ARG A 10 21.267 -13.758 -7.830 1.00 35.01 C ATOM 103 O ARG A 10 20.849 -14.380 -8.806 1.00 37.92 O ATOM 104 CB ARG A 10 19.901 -14.747 -5.981 1.00 37.55 C ATOM 105 CG ARG A 10 20.967 -15.504 -5.221 1.00 39.14 C ATOM 106 CD ARG A 10 20.316 -16.691 -4.536 1.00 44.93 C ATOM 107 NE ARG A 10 21.269 -17.586 -3.893 1.00 54.44 N ATOM 108 CZ ARG A 10 21.019 -18.867 -3.642 1.00 43.47 C ATOM 109 NH1 ARG A 10 19.854 -19.394 -3.994 1.00 45.78 N ATOM 110 NH2 ARG A 10 21.934 -19.622 -3.051 1.00 57.18 N ATOM 111 HE ARG A 10 22.195 -17.202 -3.615 1.00 0.00 H ATOM 112 HH12 ARG A 10 19.656 -20.396 -3.799 1.00 0.00 H ATOM 113 HH11 ARG A 10 19.138 -18.805 -4.465 1.00 0.00 H ATOM 114 HH22 ARG A 10 21.735 -20.624 -2.856 1.00 0.00 H ATOM 115 HH21 ARG A 10 22.851 -19.212 -2.782 1.00 0.00 H ATOM 116 H ARG A 10 18.460 -13.247 -7.666 1.00 0.00 H ATOM 117 N TRP A 11 22.516 -13.315 -7.736 1.00 31.44 N ATOM 118 CA TRP A 11 23.478 -13.502 -8.816 1.00 32.42 C ATOM 119 C TRP A 11 24.678 -14.314 -8.343 1.00 40.19 C ATOM 120 O TRP A 11 24.953 -14.386 -7.147 1.00 40.09 O ATOM 121 CB TRP A 11 23.941 -12.147 -9.352 1.00 33.38 C ATOM 122 CG TRP A 11 22.815 -11.266 -9.797 1.00 39.89 C ATOM 123 CD1 TRP A 11 22.059 -10.444 -9.013 1.00 29.90 C ATOM 124 CD2 TRP A 11 22.319 -11.115 -11.132 1.00 35.85 C ATOM 125 NE1 TRP A 11 21.121 -9.793 -9.776 1.00 31.52 N ATOM 126 CE2 TRP A 11 21.260 -10.187 -11.081 1.00 34.33 C ATOM 127 CE3 TRP A 11 22.665 -11.675 -12.365 1.00 34.09 C ATOM 128 CZ2 TRP A 11 20.546 -9.805 -12.215 1.00 36.66 C ATOM 129 CZ3 TRP A 11 21.955 -11.295 -13.490 1.00 34.10 C ATOM 130 CH2 TRP A 11 20.908 -10.370 -13.407 1.00 34.19 C ATOM 131 HE1 TRP A 11 20.420 -9.112 -9.421 1.00 0.00 H ATOM 132 H TRP A 11 22.815 -12.822 -6.870 1.00 0.00 H ATOM 133 N ARG A 12 25.391 -14.921 -9.286 1.00 41.53 N ATOM 134 CA ARG A 12 26.543 -15.754 -8.957 1.00 35.37 C ATOM 135 C ARG A 12 27.713 -15.458 -9.888 1.00 38.99 C ATOM 136 O ARG A 12 27.553 -15.431 -11.108 1.00 44.16 O ATOM 137 CB ARG A 12 26.163 -17.235 -9.029 1.00 41.04 C ATOM 138 CG ARG A 12 27.252 -18.199 -8.589 1.00 41.37 C ATOM 139 CD ARG A 12 26.654 -19.554 -8.240 1.00 36.23 C ATOM 140 NE ARG A 12 25.798 -19.470 -7.060 1.00 49.15 N ATOM 141 CZ ARG A 12 24.925 -20.404 -6.696 1.00 46.79 C ATOM 142 NH1 ARG A 12 24.778 -21.502 -7.426 1.00 54.40 N ATOM 143 NH2 ARG A 12 24.191 -20.236 -5.604 1.00 44.87 N ATOM 144 HE ARG A 12 25.877 -18.622 -6.464 1.00 0.00 H ATOM 145 HH12 ARG A 12 24.094 -22.230 -7.138 1.00 0.00 H ATOM 146 HH11 ARG A 12 25.347 -21.634 -8.286 1.00 0.00 H ATOM 147 HH22 ARG A 12 23.508 -20.967 -5.319 1.00 0.00 H ATOM 148 HH21 ARG A 12 24.299 -19.374 -5.033 1.00 0.00 H ATOM 149 H ARG A 12 25.121 -14.799 -10.283 1.00 0.00 H ATOM 150 N LEU A 13 28.886 -15.234 -9.301 1.00 39.30 N ATOM 151 CA LEU A 13 30.084 -14.899 -10.063 1.00 34.94 C ATOM 152 C LEU A 13 30.465 -16.011 -11.033 1.00 41.85 C ATOM 153 O LEU A 13 30.521 -17.182 -10.659 1.00 42.71 O ATOM 154 CB LEU A 13 31.256 -14.615 -9.123 1.00 37.62 C ATOM 155 CG LEU A 13 32.553 -14.181 -9.809 1.00 37.60 C ATOM 156 CD1 LEU A 13 32.399 -12.787 -10.400 1.00 42.55 C ATOM 157 CD2 LEU A 13 33.731 -14.241 -8.849 1.00 26.66 C ATOM 158 H LEU A 13 28.951 -15.300 -8.265 1.00 0.00 H ATOM 159 N VAL A 14 30.726 -15.637 -12.282 1.00 43.40 N ATOM 160 CA VAL A 14 31.123 -16.602 -13.300 1.00 40.17 C ATOM 161 C VAL A 14 32.370 -16.148 -14.054 1.00 35.43 C ATOM 162 O VAL A 14 32.955 -16.917 -14.817 1.00 57.16 O ATOM 163 CB VAL A 14 29.987 -16.871 -14.306 1.00 35.74 C ATOM 164 CG1 VAL A 14 28.837 -17.598 -13.626 1.00 35.48 C ATOM 165 CG2 VAL A 14 29.511 -15.571 -14.935 1.00 37.21 C ATOM 166 H VAL A 14 30.645 -14.632 -12.539 1.00 0.00 H ATOM 167 N ASP A 15 32.774 -14.899 -13.838 1.00 40.10 N ATOM 168 CA ASP A 15 33.967 -14.364 -14.488 1.00 40.53 C ATOM 169 C ASP A 15 34.518 -13.138 -13.764 1.00 38.10 C ATOM 170 O ASP A 15 33.762 -12.286 -13.298 1.00 46.05 O ATOM 171 CB ASP A 15 33.678 -14.023 -15.951 1.00 45.30 C ATOM 172 CG ASP A 15 34.928 -13.632 -16.715 1.00 57.32 C ATOM 173 OD1 ASP A 15 35.648 -14.540 -17.180 1.00 68.49 O ATOM 174 OD2 ASP A 15 35.191 -12.419 -16.850 1.00 73.75 O ATOM 175 H ASP A 15 32.229 -14.291 -13.193 1.00 0.00 H ATOM 176 N SER A 16 35.841 -13.057 -13.681 1.00 33.02 N ATOM 177 CA SER A 16 36.505 -11.934 -13.031 1.00 36.34 C ATOM 178 C SER A 16 37.844 -11.632 -13.696 1.00 38.72 C ATOM 179 O SER A 16 38.636 -12.537 -13.957 1.00 60.69 O ATOM 180 CB SER A 16 36.712 -12.224 -11.543 1.00 37.44 C ATOM 181 OG SER A 16 37.397 -11.161 -10.905 1.00 38.60 O ATOM 182 HG SER A 16 37.517 -11.375 -9.946 1.00 0.00 H ATOM 183 H SER A 16 36.420 -13.817 -14.092 1.00 0.00 H ATOM 184 N LYS A 17 38.089 -10.355 -13.970 1.00 46.41 N ATOM 185 CA LYS A 17 39.344 -9.933 -14.581 1.00 41.56 C ATOM 186 C LYS A 17 39.821 -8.611 -13.991 1.00 53.72 C ATOM 187 O LYS A 17 39.136 -7.593 -14.088 1.00 56.19 O ATOM 188 CB LYS A 17 39.187 -9.806 -16.097 1.00 45.61 C ATOM 189 CG LYS A 17 40.482 -9.506 -16.840 1.00 86.64 C ATOM 190 CD LYS A 17 41.539 -10.569 -16.575 1.00 98.25 C ATOM 191 CE LYS A 17 42.671 -10.493 -17.591 1.00 63.74 C ATOM 192 NZ LYS A 17 43.743 -11.485 -17.301 1.00 73.92 N ATOM 193 HZ1 LYS A 17 44.138 -11.300 -16.357 1.00 0.00 H ATOM 194 HZ2 LYS A 17 43.343 -12.444 -17.329 1.00 0.00 H ATOM 195 HZ3 LYS A 17 44.494 -11.401 -18.015 1.00 0.00 H ATOM 196 H LYS A 17 37.369 -9.640 -13.743 1.00 0.00 H ATOM 197 N GLY A 18 40.998 -8.635 -13.373 1.00 46.58 N ATOM 198 CA GLY A 18 41.594 -7.435 -12.817 1.00 43.67 C ATOM 199 C GLY A 18 41.178 -7.146 -11.387 1.00 41.09 C ATOM 200 O GLY A 18 41.375 -6.038 -10.890 1.00 42.54 O ATOM 201 H GLY A 18 41.505 -9.539 -13.286 1.00 0.00 H ATOM 202 N PHE A 19 40.609 -8.145 -10.719 1.00 42.97 N ATOM 203 CA PHE A 19 40.129 -7.962 -9.354 1.00 41.24 C ATOM 204 C PHE A 19 41.275 -7.827 -8.356 1.00 45.66 C ATOM 205 O PHE A 19 41.192 -7.043 -7.410 1.00 46.73 O ATOM 206 CB PHE A 19 39.193 -9.104 -8.947 1.00 43.01 C ATOM 207 CG PHE A 19 38.511 -8.885 -7.628 1.00 41.99 C ATOM 208 CD1 PHE A 19 37.776 -7.733 -7.399 1.00 35.84 C ATOM 209 CD2 PHE A 19 38.593 -9.833 -6.622 1.00 45.43 C ATOM 210 CE1 PHE A 19 37.144 -7.526 -6.189 1.00 42.88 C ATOM 211 CE2 PHE A 19 37.961 -9.633 -5.410 1.00 43.81 C ATOM 212 CZ PHE A 19 37.236 -8.477 -5.193 1.00 37.55 C ATOM 213 H PHE A 19 40.504 -9.073 -11.178 1.00 0.00 H ATOM 214 N ASP A 20 42.343 -8.588 -8.571 1.00 46.85 N ATOM 215 CA ASP A 20 43.509 -8.521 -7.698 1.00 51.49 C ATOM 216 C ASP A 20 44.189 -7.159 -7.800 1.00 45.56 C ATOM 217 O ASP A 20 44.636 -6.602 -6.797 1.00 49.05 O ATOM 218 CB ASP A 20 44.503 -9.635 -8.034 1.00 50.94 C ATOM 219 CG ASP A 20 45.690 -9.659 -7.090 1.00 54.90 C ATOM 220 OD1 ASP A 20 45.584 -10.288 -6.016 1.00 60.04 O ATOM 221 OD2 ASP A 20 46.729 -9.050 -7.422 1.00 59.07 O ATOM 222 H ASP A 20 42.347 -9.244 -9.378 1.00 0.00 H ATOM 223 N GLU A 21 44.259 -6.628 -9.016 1.00 48.72 N ATOM 224 CA GLU A 21 44.854 -5.317 -9.252 1.00 49.86 C ATOM 225 C GLU A 21 44.023 -4.224 -8.591 1.00 51.23 C ATOM 226 O GLU A 21 44.563 -3.255 -8.057 1.00 55.06 O ATOM 227 CB GLU A 21 44.979 -5.041 -10.754 1.00 49.76 C ATOM 228 CG GLU A 21 45.777 -6.080 -11.534 1.00 65.19 C ATOM 229 CD GLU A 21 44.946 -7.287 -11.938 1.00 76.90 C ATOM 230 OE1 GLU A 21 44.363 -7.943 -11.047 1.00 57.81 O ATOM 231 OE2 GLU A 21 44.872 -7.578 -13.151 1.00 81.33 O ATOM 232 H GLU A 21 43.879 -7.162 -9.823 1.00 0.00 H ATOM 233 N TYR A 22 42.704 -4.387 -8.631 1.00 54.63 N ATOM 234 CA TYR A 22 41.794 -3.429 -8.016 1.00 53.76 C ATOM 235 C TYR A 22 41.914 -3.442 -6.497 1.00 51.61 C ATOM 236 O TYR A 22 41.954 -2.387 -5.863 1.00 44.01 O ATOM 237 CB TYR A 22 40.350 -3.710 -8.436 1.00 40.57 C ATOM 238 CG TYR A 22 39.328 -2.874 -7.699 1.00 41.25 C ATOM 239 CD1 TYR A 22 39.184 -1.520 -7.971 1.00 39.34 C ATOM 240 CD2 TYR A 22 38.505 -3.440 -6.735 1.00 44.15 C ATOM 241 CE1 TYR A 22 38.251 -0.752 -7.300 1.00 37.50 C ATOM 242 CE2 TYR A 22 37.568 -2.681 -6.060 1.00 33.83 C ATOM 243 CZ TYR A 22 37.446 -1.337 -6.345 1.00 42.56 C ATOM 244 OH TYR A 22 36.515 -0.577 -5.675 1.00 30.02 O ATOM 245 HH TYR A 22 36.560 0.358 -5.998 1.00 0.00 H ATOM 246 H TYR A 22 42.311 -5.220 -9.114 1.00 0.00 H ATOM 247 N MET A 23 41.970 -4.639 -5.919 1.00 33.82 N ATOM 248 CA MET A 23 42.123 -4.791 -4.475 1.00 42.81 C ATOM 249 C MET A 23 43.428 -4.172 -3.981 1.00 50.97 C ATOM 250 O MET A 23 43.476 -3.582 -2.901 1.00 44.35 O ATOM 251 CB MET A 23 42.053 -6.267 -4.072 1.00 39.07 C ATOM 252 CG MET A 23 40.657 -6.862 -4.135 1.00 41.15 C ATOM 253 SD MET A 23 40.560 -8.502 -3.390 1.00 45.80 S ATOM 254 CE MET A 23 41.543 -9.463 -4.537 1.00 54.54 C ATOM 255 H MET A 23 41.903 -5.490 -6.512 1.00 0.00 H ATOM 256 N LYS A 24 44.480 -4.315 -4.781 1.00 45.54 N ATOM 257 CA LYS A 24 45.774 -3.710 -4.485 1.00 51.49 C ATOM 258 C LYS A 24 45.642 -2.200 -4.341 1.00 48.87 C ATOM 259 O LYS A 24 46.171 -1.605 -3.402 1.00 59.94 O ATOM 260 CB LYS A 24 46.763 -4.025 -5.606 1.00 55.82 C ATOM 261 CG LYS A 24 47.862 -5.001 -5.235 1.00 62.68 C ATOM 262 CD LYS A 24 48.560 -5.502 -6.489 1.00 76.85 C ATOM 263 CE LYS A 24 49.891 -6.159 -6.174 1.00 83.01 C ATOM 264 NZ LYS A 24 50.545 -6.669 -7.411 1.00 71.61 N ATOM 265 HZ1 LYS A 24 49.926 -7.371 -7.864 1.00 0.00 H ATOM 266 HZ2 LYS A 24 50.711 -5.878 -8.065 1.00 0.00 H ATOM 267 HZ3 LYS A 24 51.453 -7.113 -7.164 1.00 0.00 H ATOM 268 H LYS A 24 44.377 -4.878 -5.649 1.00 0.00 H ATOM 269 N GLU A 25 44.928 -1.591 -5.282 1.00 48.11 N ATOM 270 CA GLU A 25 44.749 -0.146 -5.304 1.00 45.15 C ATOM 271 C GLU A 25 43.959 0.332 -4.089 1.00 47.63 C ATOM 272 O GLU A 25 44.167 1.443 -3.601 1.00 55.61 O ATOM 273 CB GLU A 25 44.050 0.280 -6.597 1.00 46.61 C ATOM 274 CG GLU A 25 44.276 1.733 -6.989 1.00 52.38 C ATOM 275 CD GLU A 25 45.649 1.976 -7.592 1.00 63.48 C ATOM 276 OE1 GLU A 25 46.457 1.025 -7.658 1.00 65.78 O ATOM 277 OE2 GLU A 25 45.919 3.122 -8.007 1.00 71.05 O ATOM 278 H GLU A 25 44.483 -2.165 -6.026 1.00 0.00 H ATOM 279 N LEU A 26 43.054 -0.512 -3.604 1.00 43.98 N ATOM 280 CA LEU A 26 42.300 -0.212 -2.392 1.00 43.95 C ATOM 281 C LEU A 26 43.219 -0.240 -1.176 1.00 57.08 C ATOM 282 O LEU A 26 42.963 0.430 -0.175 1.00 49.16 O ATOM 283 CB LEU A 26 41.159 -1.213 -2.201 1.00 53.28 C ATOM 284 CG LEU A 26 39.988 -1.157 -3.182 1.00 37.85 C ATOM 285 CD1 LEU A 26 39.001 -2.271 -2.878 1.00 33.54 C ATOM 286 CD2 LEU A 26 39.301 0.197 -3.121 1.00 34.16 C ATOM 287 H LEU A 26 42.879 -1.409 -4.101 1.00 0.00 H ATOM 288 N GLY A 27 44.290 -1.020 -1.273 1.00 63.94 N ATOM 289 CA GLY A 27 45.240 -1.155 -0.186 1.00 46.43 C ATOM 290 C GLY A 27 45.035 -2.439 0.592 1.00 46.23 C ATOM 291 O GLY A 27 45.371 -2.516 1.771 1.00 60.77 O ATOM 292 H GLY A 27 44.452 -1.549 -2.154 1.00 0.00 H ATOM 293 N VAL A 28 44.484 -3.451 -0.069 1.00 56.11 N ATOM 294 CA VAL A 28 44.208 -4.730 0.578 1.00 54.07 C ATOM 295 C VAL A 28 45.461 -5.611 0.646 1.00 52.80 C ATOM 296 O VAL A 28 46.195 -5.741 -0.336 1.00 49.29 O ATOM 297 CB VAL A 28 43.096 -5.497 -0.167 1.00 49.79 C ATOM 298 CG1 VAL A 28 42.769 -6.787 0.551 1.00 36.83 C ATOM 299 CG2 VAL A 28 41.845 -4.633 -0.310 1.00 42.91 C ATOM 300 H VAL A 28 44.243 -3.329 -1.073 1.00 0.00 H ATOM 301 N GLY A 29 45.697 -6.222 1.804 1.00 59.88 N ATOM 302 CA GLY A 29 46.827 -7.119 1.976 1.00 45.27 C ATOM 303 C GLY A 29 46.753 -8.414 1.188 1.00 59.08 C ATOM 304 O GLY A 29 45.663 -8.940 0.945 1.00 59.54 O ATOM 305 H GLY A 29 45.057 -6.053 2.606 1.00 0.00 H ATOM 306 N ILE A 30 47.915 -8.921 0.787 1.00 60.21 N ATOM 307 CA ILE A 30 47.993 -10.161 0.028 1.00 58.24 C ATOM 308 C ILE A 30 47.172 -11.314 0.646 1.00 47.84 C ATOM 309 O ILE A 30 46.452 -12.039 -0.058 1.00 63.22 O ATOM 310 CB ILE A 30 49.422 -10.680 -0.043 1.00 63.80 C ATOM 311 CG1 ILE A 30 50.440 -9.547 -0.287 1.00 79.83 C ATOM 312 CG2 ILE A 30 49.484 -11.865 -1.023 1.00 55.87 C ATOM 313 CD1 ILE A 30 51.248 -9.168 1.058 1.00 93.72 C ATOM 314 H ILE A 30 48.794 -8.417 1.022 1.00 0.00 H ATOM 315 N ALA A 31 47.339 -11.501 1.954 1.00 49.78 N ATOM 316 CA ALA A 31 46.690 -12.560 2.706 1.00 55.20 C ATOM 317 C ALA A 31 45.191 -12.424 2.517 1.00 52.13 C ATOM 318 O ALA A 31 44.472 -13.415 2.387 1.00 56.63 O ATOM 319 CB ALA A 31 47.069 -12.438 4.171 1.00 65.60 C ATOM 320 H ALA A 31 47.970 -10.852 2.466 1.00 0.00 H ATOM 321 N LEU A 32 44.735 -11.178 2.469 1.00 55.61 N ATOM 322 CA LEU A 32 43.327 -10.890 2.271 1.00 63.88 C ATOM 323 C LEU A 32 42.927 -10.957 0.794 1.00 62.36 C ATOM 324 O LEU A 32 41.846 -11.449 0.469 1.00 54.89 O ATOM 325 CB LEU A 32 42.979 -9.529 2.869 1.00 56.49 C ATOM 326 CG LEU A 32 41.527 -9.337 3.305 1.00 48.86 C ATOM 327 CD1 LEU A 32 41.136 -10.383 4.339 1.00 51.04 C ATOM 328 CD2 LEU A 32 41.317 -7.937 3.855 1.00 54.20 C ATOM 329 H LEU A 32 45.404 -10.389 2.576 1.00 0.00 H ATOM 330 N ARG A 33 43.792 -10.462 -0.090 1.00 42.89 N ATOM 331 CA ARG A 33 43.534 -10.513 -1.528 1.00 40.49 C ATOM 332 C ARG A 33 43.395 -11.951 -2.009 1.00 53.18 C ATOM 333 O ARG A 33 42.569 -12.249 -2.873 1.00 60.02 O ATOM 334 CB ARG A 33 44.650 -9.821 -2.315 1.00 39.10 C ATOM 335 CG ARG A 33 44.775 -8.330 -2.064 1.00 53.56 C ATOM 336 CD ARG A 33 45.473 -7.635 -3.222 1.00 55.94 C ATOM 337 NE ARG A 33 46.766 -8.236 -3.535 1.00 61.44 N ATOM 338 CZ ARG A 33 47.924 -7.824 -3.028 1.00 73.57 C ATOM 339 NH1 ARG A 33 47.954 -6.807 -2.179 1.00 59.24 N ATOM 340 NH2 ARG A 33 49.053 -8.430 -3.371 1.00 66.67 N ATOM 341 HE ARG A 33 46.782 -9.038 -4.197 1.00 0.00 H ATOM 342 HH12 ARG A 33 48.861 -6.486 -1.784 1.00 0.00 H ATOM 343 HH11 ARG A 33 47.071 -6.330 -1.908 1.00 0.00 H ATOM 344 HH22 ARG A 33 49.958 -8.107 -2.974 1.00 0.00 H ATOM 345 HH21 ARG A 33 49.033 -9.228 -4.037 1.00 0.00 H ATOM 346 H ARG A 33 44.673 -10.028 0.252 1.00 0.00 H ATOM 347 N LYS A 34 44.214 -12.836 -1.449 1.00 52.22 N ATOM 348 CA LYS A 34 44.172 -14.249 -1.805 1.00 48.43 C ATOM 349 C LYS A 34 42.806 -14.849 -1.500 1.00 53.32 C ATOM 350 O LYS A 34 42.246 -15.568 -2.321 1.00 65.15 O ATOM 351 CB LYS A 34 45.279 -15.031 -1.090 1.00 57.69 C ATOM 352 CG LYS A 34 46.670 -14.797 -1.663 1.00 73.05 C ATOM 353 CD LYS A 34 47.714 -15.709 -1.029 1.00 80.92 C ATOM 354 CE LYS A 34 47.881 -15.439 0.459 1.00 86.47 C ATOM 355 NZ LYS A 34 48.963 -16.281 1.046 1.00 85.04 N ATOM 356 HZ1 LYS A 34 48.728 -17.286 0.916 1.00 0.00 H ATOM 357 HZ2 LYS A 34 49.862 -16.070 0.568 1.00 0.00 H ATOM 358 HZ3 LYS A 34 49.051 -16.072 2.061 1.00 0.00 H ATOM 359 H LYS A 34 44.902 -12.512 -0.739 1.00 0.00 H ATOM 360 N MET A 35 42.270 -14.540 -0.325 1.00 64.07 N ATOM 361 CA MET A 35 40.948 -15.021 0.062 1.00 57.53 C ATOM 362 C MET A 35 39.855 -14.366 -0.774 1.00 47.02 C ATOM 363 O MET A 35 38.877 -15.012 -1.150 1.00 48.02 O ATOM 364 CB MET A 35 40.697 -14.760 1.547 1.00 60.84 C ATOM 365 CG MET A 35 41.636 -15.515 2.469 1.00 62.90 C ATOM 366 SD MET A 35 41.521 -14.974 4.183 1.00 95.95 S ATOM 367 CE MET A 35 42.761 -16.019 4.944 1.00 77.65 C ATOM 368 H MET A 35 42.805 -13.941 0.335 1.00 0.00 H ATOM 369 N GLY A 36 40.028 -13.080 -1.061 1.00 53.28 N ATOM 370 CA GLY A 36 39.059 -12.334 -1.842 1.00 53.17 C ATOM 371 C GLY A 36 38.909 -12.861 -3.257 1.00 53.15 C ATOM 372 O GLY A 36 37.797 -13.126 -3.714 1.00 65.31 O ATOM 373 H GLY A 36 40.881 -12.595 -0.716 1.00 0.00 H ATOM 374 N ALA A 37 40.032 -13.018 -3.949 1.00 53.86 N ATOM 375 CA ALA A 37 40.023 -13.472 -5.335 1.00 52.99 C ATOM 376 C ALA A 37 39.679 -14.955 -5.459 1.00 48.88 C ATOM 377 O ALA A 37 39.205 -15.405 -6.502 1.00 68.58 O ATOM 378 CB ALA A 37 41.363 -13.179 -5.997 1.00 53.31 C ATOM 379 H ALA A 37 40.942 -12.812 -3.490 1.00 0.00 H ATOM 380 N MET A 38 39.918 -15.710 -4.391 1.00 57.22 N ATOM 381 CA MET A 38 39.664 -17.148 -4.392 1.00 54.97 C ATOM 382 C MET A 38 38.174 -17.454 -4.289 1.00 61.84 C ATOM 383 O MET A 38 37.709 -18.492 -4.760 1.00 60.51 O ATOM 384 CB MET A 38 40.413 -17.816 -3.236 1.00 48.81 C ATOM 385 CG MET A 38 40.343 -19.332 -3.211 1.00 76.73 C ATOM 386 SD MET A 38 41.326 -20.027 -1.868 1.00111.68 S ATOM 387 CE MET A 38 40.541 -19.275 -0.443 1.00 73.22 C ATOM 388 H MET A 38 40.296 -15.264 -3.531 1.00 0.00 H ATOM 389 N ALA A 39 37.429 -16.541 -3.676 1.00 55.18 N ATOM 390 CA ALA A 39 36.014 -16.764 -3.401 1.00 47.81 C ATOM 391 C ALA A 39 35.139 -16.679 -4.650 1.00 47.10 C ATOM 392 O ALA A 39 35.415 -15.901 -5.563 1.00 56.11 O ATOM 393 CB ALA A 39 35.522 -15.786 -2.342 1.00 44.92 C ATOM 394 H ALA A 39 37.866 -15.643 -3.384 1.00 0.00 H ATOM 395 N LYS A 40 34.089 -17.495 -4.681 1.00 38.90 N ATOM 396 CA LYS A 40 33.053 -17.391 -5.701 1.00 53.43 C ATOM 397 C LYS A 40 31.780 -16.902 -5.026 1.00 42.51 C ATOM 398 O LYS A 40 30.914 -17.702 -4.669 1.00 49.96 O ATOM 399 CB LYS A 40 32.798 -18.741 -6.376 1.00 53.03 C ATOM 400 CG LYS A 40 31.913 -18.646 -7.615 1.00 64.74 C ATOM 401 CD LYS A 40 31.520 -20.014 -8.160 1.00 65.25 C ATOM 402 CE LYS A 40 30.316 -20.587 -7.426 1.00 71.40 C ATOM 403 NZ LYS A 40 29.756 -21.780 -8.123 1.00 48.89 N ATOM 404 HZ1 LYS A 40 29.456 -21.511 -9.082 1.00 0.00 H ATOM 405 HZ2 LYS A 40 30.485 -22.520 -8.182 1.00 0.00 H ATOM 406 HZ3 LYS A 40 28.938 -22.139 -7.590 1.00 0.00 H ATOM 407 H LYS A 40 34.004 -18.232 -3.953 1.00 0.00 H ATOM 408 N PRO A 41 31.664 -15.580 -4.841 1.00 38.06 N ATOM 409 CA PRO A 41 30.577 -15.025 -4.034 1.00 38.32 C ATOM 410 C PRO A 41 29.261 -14.911 -4.791 1.00 37.30 C ATOM 411 O PRO A 41 29.244 -14.868 -6.021 1.00 40.58 O ATOM 412 CB PRO A 41 31.092 -13.628 -3.694 1.00 31.15 C ATOM 413 CG PRO A 41 31.901 -13.250 -4.884 1.00 39.04 C ATOM 414 CD PRO A 41 32.546 -14.526 -5.372 1.00 43.27 C ATOM 415 N ASP A 42 28.165 -14.874 -4.042 1.00 33.17 N ATOM 416 CA ASP A 42 26.869 -14.528 -4.599 1.00 32.99 C ATOM 417 C ASP A 42 26.607 -13.053 -4.343 1.00 42.23 C ATOM 418 O ASP A 42 27.194 -12.457 -3.440 1.00 28.74 O ATOM 419 CB ASP A 42 25.754 -15.364 -3.969 1.00 42.72 C ATOM 420 CG ASP A 42 25.598 -16.722 -4.623 1.00 50.92 C ATOM 421 OD1 ASP A 42 26.180 -16.931 -5.708 1.00 48.59 O ATOM 422 OD2 ASP A 42 24.882 -17.575 -4.058 1.00 53.56 O ATOM 423 H ASP A 42 28.237 -15.099 -3.029 1.00 0.00 H ATOM 424 N CYS A 43 25.729 -12.466 -5.145 1.00 39.10 N ATOM 425 CA CYS A 43 25.317 -11.087 -4.935 1.00 33.91 C ATOM 426 C CYS A 43 23.798 -11.003 -4.943 1.00 36.69 C ATOM 427 O CYS A 43 23.157 -11.337 -5.939 1.00 32.73 O ATOM 428 CB CYS A 43 25.905 -10.175 -6.012 1.00 27.48 C ATOM 429 SG CYS A 43 25.527 -8.422 -5.785 1.00 38.55 S ATOM 430 H CYS A 43 25.327 -13.002 -5.940 1.00 0.00 H ATOM 431 N ILE A 44 23.225 -10.574 -3.825 1.00 31.81 N ATOM 432 CA ILE A 44 21.782 -10.403 -3.737 1.00 30.02 C ATOM 433 C ILE A 44 21.412 -8.926 -3.708 1.00 37.85 C ATOM 434 O ILE A 44 21.704 -8.217 -2.744 1.00 28.94 O ATOM 435 CB ILE A 44 21.188 -11.110 -2.506 1.00 26.49 C ATOM 436 CG1 ILE A 44 21.511 -12.605 -2.547 1.00 26.14 C ATOM 437 CG2 ILE A 44 19.684 -10.892 -2.447 1.00 26.39 C ATOM 438 CD1 ILE A 44 20.807 -13.412 -1.475 1.00 25.74 C ATOM 439 H ILE A 44 23.817 -10.356 -2.998 1.00 0.00 H ATOM 440 N ILE A 45 20.773 -8.470 -4.778 1.00 37.22 N ATOM 441 CA ILE A 45 20.373 -7.078 -4.897 1.00 28.90 C ATOM 442 C ILE A 45 18.868 -6.935 -4.725 1.00 31.96 C ATOM 443 O ILE A 45 18.089 -7.599 -5.406 1.00 36.02 O ATOM 444 CB ILE A 45 20.779 -6.496 -6.263 1.00 36.28 C ATOM 445 CG1 ILE A 45 22.288 -6.634 -6.473 1.00 30.42 C ATOM 446 CG2 ILE A 45 20.345 -5.041 -6.376 1.00 23.18 C ATOM 447 CD1 ILE A 45 22.765 -6.146 -7.823 1.00 31.79 C ATOM 448 H ILE A 45 20.552 -9.127 -5.553 1.00 0.00 H ATOM 449 N THR A 46 18.465 -6.076 -3.798 1.00 32.82 N ATOM 450 CA THR A 46 17.056 -5.760 -3.615 1.00 37.28 C ATOM 451 C THR A 46 16.877 -4.252 -3.576 1.00 35.34 C ATOM 452 O THR A 46 17.542 -3.562 -2.805 1.00 36.73 O ATOM 453 CB THR A 46 16.495 -6.363 -2.314 1.00 34.08 C ATOM 454 OG1 THR A 46 17.232 -5.861 -1.193 1.00 43.85 O ATOM 455 CG2 THR A 46 16.587 -7.881 -2.340 1.00 34.53 C ATOM 456 HG1 THR A 46 17.150 -4.875 -1.161 1.00 0.00 H ATOM 457 H THR A 46 19.172 -5.618 -3.188 1.00 0.00 H ATOM 458 N CYS A 47 15.984 -3.738 -4.412 1.00 40.95 N ATOM 459 CA CYS A 47 15.706 -2.309 -4.419 1.00 41.07 C ATOM 460 C CYS A 47 14.208 -2.023 -4.393 1.00 43.20 C ATOM 461 O CYS A 47 13.511 -2.216 -5.391 1.00 42.43 O ATOM 462 CB CYS A 47 16.359 -1.638 -5.630 1.00 40.22 C ATOM 463 SG CYS A 47 16.453 0.163 -5.528 1.00 43.29 S ATOM 464 H CYS A 47 15.477 -4.363 -5.070 1.00 0.00 H ATOM 465 N ASP A 48 13.725 -1.557 -3.245 1.00 53.96 N ATOM 466 CA ASP A 48 12.325 -1.186 -3.079 1.00 43.21 C ATOM 467 C ASP A 48 12.175 0.318 -3.265 1.00 55.82 C ATOM 468 O ASP A 48 12.437 1.089 -2.344 1.00 50.81 O ATOM 469 CB ASP A 48 11.814 -1.625 -1.699 1.00 62.68 C ATOM 470 CG ASP A 48 10.497 -0.971 -1.322 1.00 78.69 C ATOM 471 OD1 ASP A 48 9.450 -1.369 -1.874 1.00 82.38 O ATOM 472 OD2 ASP A 48 10.511 -0.057 -0.470 1.00 84.34 O ATOM 473 H ASP A 48 14.370 -1.453 -2.436 1.00 0.00 H ATOM 474 N GLY A 49 11.760 0.727 -4.462 1.00 52.01 N ATOM 475 CA GLY A 49 11.697 2.135 -4.808 1.00 48.01 C ATOM 476 C GLY A 49 13.090 2.729 -4.836 1.00 54.63 C ATOM 477 O GLY A 49 13.825 2.567 -5.810 1.00 46.02 O ATOM 478 H GLY A 49 11.473 0.019 -5.168 1.00 0.00 H ATOM 479 N LYS A 50 13.463 3.400 -3.751 1.00 46.29 N ATOM 480 CA LYS A 50 14.796 3.980 -3.632 1.00 42.33 C ATOM 481 C LYS A 50 15.614 3.336 -2.516 1.00 49.08 C ATOM 482 O LYS A 50 16.785 3.664 -2.333 1.00 44.92 O ATOM 483 CB LYS A 50 14.720 5.493 -3.415 1.00 47.53 C ATOM 484 CG LYS A 50 14.266 6.284 -4.630 1.00 52.63 C ATOM 485 CD LYS A 50 14.431 7.775 -4.390 1.00 42.81 C ATOM 486 CE LYS A 50 13.815 8.597 -5.508 1.00 57.99 C ATOM 487 NZ LYS A 50 13.921 10.058 -5.235 1.00 57.74 N ATOM 488 HZ1 LYS A 50 13.423 10.281 -4.349 1.00 0.00 H ATOM 489 HZ2 LYS A 50 14.923 10.321 -5.146 1.00 0.00 H ATOM 490 HZ3 LYS A 50 13.490 10.588 -6.019 1.00 0.00 H ATOM 491 H LYS A 50 12.788 3.514 -2.968 1.00 0.00 H ATOM 492 N ASN A 51 14.996 2.428 -1.766 1.00 44.70 N ATOM 493 CA ASN A 51 15.714 1.689 -0.733 1.00 39.28 C ATOM 494 C ASN A 51 16.515 0.541 -1.333 1.00 42.56 C ATOM 495 O ASN A 51 15.949 -0.451 -1.790 1.00 38.10 O ATOM 496 CB ASN A 51 14.755 1.163 0.337 1.00 53.19 C ATOM 497 CG ASN A 51 14.250 2.256 1.256 1.00 55.38 C ATOM 498 OD1 ASN A 51 13.129 2.741 1.106 1.00 68.25 O ATOM 499 ND2 ASN A 51 15.081 2.654 2.213 1.00 58.21 N ATOM 500 HD22 ASN A 51 16.020 2.215 2.302 1.00 0.00 H ATOM 501 HD21 ASN A 51 14.793 3.404 2.873 1.00 0.00 H ATOM 502 H ASN A 51 13.984 2.242 -1.918 1.00 0.00 H ATOM 503 N LEU A 52 17.836 0.686 -1.328 1.00 40.02 N ATOM 504 CA LEU A 52 18.721 -0.299 -1.936 1.00 40.02 C ATOM 505 C LEU A 52 19.432 -1.145 -0.888 1.00 36.00 C ATOM 506 O LEU A 52 19.935 -0.625 0.107 1.00 36.16 O ATOM 507 CB LEU A 52 19.756 0.399 -2.822 1.00 35.31 C ATOM 508 CG LEU A 52 20.875 -0.468 -3.403 1.00 32.15 C ATOM 509 CD1 LEU A 52 20.336 -1.424 -4.457 1.00 29.02 C ATOM 510 CD2 LEU A 52 21.986 0.401 -3.973 1.00 24.92 C ATOM 511 H LEU A 52 18.250 1.527 -0.877 1.00 0.00 H ATOM 512 N THR A 53 19.464 -2.453 -1.116 1.00 37.00 N ATOM 513 CA THR A 53 20.255 -3.354 -0.289 1.00 33.28 C ATOM 514 C THR A 53 21.059 -4.289 -1.182 1.00 35.79 C ATOM 515 O THR A 53 20.517 -4.894 -2.106 1.00 38.41 O ATOM 516 CB THR A 53 19.378 -4.198 0.652 1.00 34.00 C ATOM 517 OG1 THR A 53 18.498 -3.342 1.391 1.00 53.92 O ATOM 518 CG2 THR A 53 20.246 -4.985 1.623 1.00 45.69 C ATOM 519 HG1 THR A 53 17.936 -3.890 1.995 1.00 0.00 H ATOM 520 H THR A 53 18.910 -2.844 -1.905 1.00 0.00 H ATOM 521 N ILE A 54 22.355 -4.393 -0.912 1.00 34.22 N ATOM 522 CA ILE A 54 23.204 -5.330 -1.636 1.00 28.35 C ATOM 523 C ILE A 54 23.931 -6.250 -0.668 1.00 28.97 C ATOM 524 O ILE A 54 24.663 -5.795 0.209 1.00 31.80 O ATOM 525 CB ILE A 54 24.236 -4.614 -2.526 1.00 26.92 C ATOM 526 CG1 ILE A 54 23.533 -3.732 -3.558 1.00 32.56 C ATOM 527 CG2 ILE A 54 25.129 -5.631 -3.223 1.00 21.80 C ATOM 528 CD1 ILE A 54 24.478 -3.053 -4.525 1.00 23.35 C ATOM 529 H ILE A 54 22.772 -3.795 -0.170 1.00 0.00 H ATOM 530 N LYS A 55 23.715 -7.548 -0.833 1.00 36.54 N ATOM 531 CA LYS A 55 24.375 -8.549 -0.012 1.00 32.21 C ATOM 532 C LYS A 55 25.495 -9.202 -0.813 1.00 26.51 C ATOM 533 O LYS A 55 25.279 -9.656 -1.936 1.00 37.73 O ATOM 534 CB LYS A 55 23.363 -9.604 0.436 1.00 24.45 C ATOM 535 CG LYS A 55 23.937 -10.722 1.287 1.00 31.55 C ATOM 536 CD LYS A 55 22.927 -11.849 1.431 1.00 31.77 C ATOM 537 CE LYS A 55 23.429 -12.939 2.358 1.00 32.80 C ATOM 538 NZ LYS A 55 22.490 -14.095 2.398 1.00 29.13 N ATOM 539 HZ1 LYS A 55 21.561 -13.774 2.738 1.00 0.00 H ATOM 540 HZ2 LYS A 55 22.392 -14.493 1.442 1.00 0.00 H ATOM 541 HZ3 LYS A 55 22.864 -14.822 3.041 1.00 0.00 H ATOM 542 H LYS A 55 23.053 -7.859 -1.572 1.00 0.00 H ATOM 543 N THR A 56 26.694 -9.230 -0.244 1.00 29.43 N ATOM 544 CA THR A 56 27.822 -9.900 -0.881 1.00 34.54 C ATOM 545 C THR A 56 28.190 -11.133 -0.067 1.00 28.82 C ATOM 546 O THR A 56 28.739 -11.025 1.029 1.00 29.58 O ATOM 547 CB THR A 56 29.036 -8.971 -1.011 1.00 36.53 C ATOM 548 OG1 THR A 56 28.656 -7.788 -1.725 1.00 39.85 O ATOM 549 CG2 THR A 56 30.159 -9.669 -1.760 1.00 33.80 C ATOM 550 HG1 THR A 56 27.935 -7.323 -1.231 1.00 0.00 H ATOM 551 H THR A 56 26.832 -8.764 0.676 1.00 0.00 H ATOM 552 N GLU A 57 27.888 -12.306 -0.613 1.00 31.93 N ATOM 553 CA GLU A 57 27.892 -13.528 0.179 1.00 32.94 C ATOM 554 C GLU A 57 28.815 -14.623 -0.345 1.00 33.10 C ATOM 555 O GLU A 57 28.728 -15.028 -1.502 1.00 34.52 O ATOM 556 CB GLU A 57 26.466 -14.073 0.283 1.00 19.75 C ATOM 557 CG GLU A 57 26.334 -15.322 1.130 1.00 33.06 C ATOM 558 CD GLU A 57 24.918 -15.863 1.144 1.00 49.62 C ATOM 559 OE1 GLU A 57 24.090 -15.387 0.339 1.00 38.66 O ATOM 560 OE2 GLU A 57 24.635 -16.762 1.962 1.00 49.13 O ATOM 561 H GLU A 57 27.645 -12.352 -1.623 1.00 0.00 H ATOM 562 N SER A 58 29.696 -15.097 0.530 1.00 31.43 N ATOM 563 CA SER A 58 30.488 -16.290 0.270 1.00 32.50 C ATOM 564 C SER A 58 30.291 -17.240 1.447 1.00 39.26 C ATOM 565 O SER A 58 29.724 -16.854 2.469 1.00 29.90 O ATOM 566 CB SER A 58 31.967 -15.938 0.101 1.00 26.67 C ATOM 567 OG SER A 58 32.503 -15.393 1.294 1.00 40.37 O ATOM 568 HG SER A 58 32.007 -14.570 1.531 1.00 0.00 H ATOM 569 H SER A 58 29.824 -14.597 1.433 1.00 0.00 H ATOM 570 N THR A 59 30.753 -18.478 1.307 1.00 37.55 N ATOM 571 CA THR A 59 30.564 -19.480 2.351 1.00 35.00 C ATOM 572 C THR A 59 31.342 -19.147 3.622 1.00 36.26 C ATOM 573 O THR A 59 31.007 -19.624 4.706 1.00 47.39 O ATOM 574 CB THR A 59 30.965 -20.887 1.871 1.00 35.19 C ATOM 575 OG1 THR A 59 32.349 -20.894 1.501 1.00 44.39 O ATOM 576 CG2 THR A 59 30.119 -21.307 0.677 1.00 27.43 C ATOM 577 HG1 THR A 59 32.603 -21.800 1.193 1.00 0.00 H ATOM 578 H THR A 59 31.259 -18.738 0.436 1.00 0.00 H ATOM 579 N LEU A 60 32.377 -18.325 3.484 1.00 34.16 N ATOM 580 CA LEU A 60 33.226 -17.972 4.617 1.00 37.84 C ATOM 581 C LEU A 60 32.877 -16.606 5.205 1.00 49.14 C ATOM 582 O LEU A 60 32.866 -16.433 6.424 1.00 45.29 O ATOM 583 CB LEU A 60 34.701 -18.011 4.210 1.00 48.09 C ATOM 584 CG LEU A 60 35.204 -19.343 3.648 1.00 51.66 C ATOM 585 CD1 LEU A 60 36.676 -19.259 3.276 1.00 39.68 C ATOM 586 CD2 LEU A 60 34.964 -20.468 4.642 1.00 44.52 C ATOM 587 H LEU A 60 32.587 -17.924 2.547 1.00 0.00 H ATOM 588 N LYS A 61 32.589 -15.639 4.339 1.00 51.04 N ATOM 589 CA LYS A 61 32.311 -14.279 4.789 1.00 41.07 C ATOM 590 C LYS A 61 31.143 -13.649 4.036 1.00 41.74 C ATOM 591 O LYS A 61 30.991 -13.839 2.830 1.00 41.61 O ATOM 592 CB LYS A 61 33.561 -13.406 4.648 1.00 38.15 C ATOM 593 CG LYS A 61 33.424 -12.015 5.248 1.00 42.63 C ATOM 594 CD LYS A 61 34.679 -11.188 5.026 1.00 45.24 C ATOM 595 CE LYS A 61 34.547 -9.804 5.642 1.00 56.78 C ATOM 596 NZ LYS A 61 34.348 -9.867 7.117 1.00 56.18 N ATOM 597 HZ1 LYS A 61 33.480 -10.401 7.326 1.00 0.00 H ATOM 598 HZ2 LYS A 61 35.163 -10.342 7.555 1.00 0.00 H ATOM 599 HZ3 LYS A 61 34.263 -8.902 7.496 1.00 0.00 H ATOM 600 H LYS A 61 32.561 -15.856 3.322 1.00 0.00 H ATOM 601 N THR A 62 30.322 -12.895 4.762 1.00 42.04 N ATOM 602 CA THR A 62 29.179 -12.207 4.175 1.00 37.47 C ATOM 603 C THR A 62 29.087 -10.773 4.682 1.00 36.21 C ATOM 604 O THR A 62 29.085 -10.533 5.889 1.00 43.09 O ATOM 605 CB THR A 62 27.857 -12.930 4.504 1.00 41.38 C ATOM 606 OG1 THR A 62 27.826 -14.201 3.843 1.00 38.06 O ATOM 607 CG2 THR A 62 26.663 -12.100 4.053 1.00 33.00 C ATOM 608 HG1 THR A 62 28.588 -14.751 4.153 1.00 0.00 H ATOM 609 H THR A 62 30.502 -12.793 5.781 1.00 0.00 H ATOM 610 N THR A 63 29.021 -9.820 3.758 1.00 29.26 N ATOM 611 CA THR A 63 28.785 -8.427 4.119 1.00 31.24 C ATOM 612 C THR A 63 27.594 -7.878 3.344 1.00 41.55 C ATOM 613 O THR A 63 27.197 -8.432 2.319 1.00 31.76 O ATOM 614 CB THR A 63 30.015 -7.535 3.848 1.00 33.24 C ATOM 615 OG1 THR A 63 30.273 -7.480 2.439 1.00 49.15 O ATOM 616 CG2 THR A 63 31.243 -8.071 4.571 1.00 32.10 C ATOM 617 HG1 THR A 63 31.063 -6.907 2.271 1.00 0.00 H ATOM 618 H THR A 63 29.140 -10.073 2.756 1.00 0.00 H ATOM 619 N GLN A 64 27.024 -6.788 3.843 1.00 41.64 N ATOM 620 CA GLN A 64 25.914 -6.135 3.167 1.00 30.85 C ATOM 621 C GLN A 64 25.845 -4.665 3.540 1.00 42.18 C ATOM 622 O GLN A 64 26.341 -4.255 4.590 1.00 51.73 O ATOM 623 CB GLN A 64 24.587 -6.809 3.524 1.00 32.85 C ATOM 624 CG GLN A 64 24.173 -6.628 4.977 1.00 35.45 C ATOM 625 CD GLN A 64 22.699 -6.903 5.206 1.00 51.95 C ATOM 626 OE1 GLN A 64 21.873 -6.708 4.314 1.00 45.37 O ATOM 627 NE2 GLN A 64 22.362 -7.360 6.406 1.00 68.94 N ATOM 628 HE22 GLN A 64 23.094 -7.510 7.130 1.00 0.00 H ATOM 629 HE21 GLN A 64 21.366 -7.568 6.622 1.00 0.00 H ATOM 630 H GLN A 64 27.379 -6.392 4.737 1.00 0.00 H ATOM 631 N PHE A 65 25.236 -3.870 2.668 1.00 41.92 N ATOM 632 CA PHE A 65 24.908 -2.495 3.007 1.00 40.68 C ATOM 633 C PHE A 65 23.490 -2.166 2.562 1.00 38.63 C ATOM 634 O PHE A 65 22.998 -2.703 1.569 1.00 38.57 O ATOM 635 CB PHE A 65 25.923 -1.503 2.420 1.00 32.05 C ATOM 636 CG PHE A 65 25.841 -1.346 0.926 1.00 40.40 C ATOM 637 CD1 PHE A 65 24.981 -0.418 0.356 1.00 31.75 C ATOM 638 CD2 PHE A 65 26.643 -2.107 0.092 1.00 33.45 C ATOM 639 CE1 PHE A 65 24.908 -0.267 -1.015 1.00 21.64 C ATOM 640 CE2 PHE A 65 26.576 -1.959 -1.282 1.00 32.63 C ATOM 641 CZ PHE A 65 25.708 -1.037 -1.835 1.00 38.42 C ATOM 642 H PHE A 65 24.990 -4.237 1.727 1.00 0.00 H ATOM 643 N SER A 66 22.831 -1.292 3.313 1.00 38.06 N ATOM 644 CA SER A 66 21.509 -0.811 2.944 1.00 45.59 C ATOM 645 C SER A 66 21.519 0.709 2.952 1.00 39.17 C ATOM 646 O SER A 66 22.182 1.327 3.786 1.00 40.82 O ATOM 647 CB SER A 66 20.446 -1.347 3.903 1.00 34.31 C ATOM 648 OG SER A 66 20.667 -0.884 5.223 1.00 64.47 O ATOM 649 HG SER A 66 20.633 0.105 5.234 1.00 0.00 H ATOM 650 H SER A 66 23.271 -0.942 4.188 1.00 0.00 H ATOM 651 N CYS A 67 20.790 1.312 2.021 1.00 37.65 N ATOM 652 CA CYS A 67 20.794 2.761 1.895 1.00 39.72 C ATOM 653 C CYS A 67 19.605 3.276 1.102 1.00 34.77 C ATOM 654 O CYS A 67 18.840 2.504 0.525 1.00 40.09 O ATOM 655 CB CYS A 67 22.078 3.224 1.210 1.00 35.69 C ATOM 656 SG CYS A 67 22.160 2.828 -0.553 1.00 38.01 S ATOM 657 H CYS A 67 20.209 0.742 1.374 1.00 0.00 H ATOM 658 N THR A 68 19.464 4.596 1.083 1.00 41.90 N ATOM 659 CA THR A 68 18.494 5.258 0.228 1.00 38.07 C ATOM 660 C THR A 68 19.248 5.876 -0.939 1.00 35.73 C ATOM 661 O THR A 68 20.253 6.559 -0.738 1.00 44.96 O ATOM 662 CB THR A 68 17.745 6.367 0.983 1.00 38.28 C ATOM 663 OG1 THR A 68 17.087 5.809 2.127 1.00 42.30 O ATOM 664 CG2 THR A 68 16.714 7.029 0.080 1.00 28.92 C ATOM 665 HG1 THR A 68 16.605 6.526 2.611 1.00 0.00 H ATOM 666 H THR A 68 20.068 5.175 1.701 1.00 0.00 H ATOM 667 N LEU A 69 18.774 5.623 -2.155 1.00 30.96 N ATOM 668 CA LEU A 69 19.404 6.180 -3.346 1.00 29.76 C ATOM 669 C LEU A 69 19.439 7.704 -3.283 1.00 36.19 C ATOM 670 O LEU A 69 18.401 8.352 -3.145 1.00 45.08 O ATOM 671 CB LEU A 69 18.674 5.724 -4.612 1.00 29.96 C ATOM 672 CG LEU A 69 18.690 4.229 -4.939 1.00 31.79 C ATOM 673 CD1 LEU A 69 17.960 3.963 -6.247 1.00 30.87 C ATOM 674 CD2 LEU A 69 20.114 3.703 -5.002 1.00 30.30 C ATOM 675 H LEU A 69 17.937 5.015 -2.259 1.00 0.00 H ATOM 676 N GLY A 70 20.640 8.267 -3.367 1.00 40.78 N ATOM 677 CA GLY A 70 20.809 9.709 -3.367 1.00 37.73 C ATOM 678 C GLY A 70 21.263 10.281 -2.036 1.00 46.75 C ATOM 679 O GLY A 70 21.617 11.456 -1.949 1.00 52.50 O ATOM 680 H GLY A 70 21.481 7.659 -3.435 1.00 0.00 H ATOM 681 N GLU A 71 21.257 9.452 -0.998 1.00 42.61 N ATOM 682 CA GLU A 71 21.620 9.909 0.340 1.00 32.54 C ATOM 683 C GLU A 71 22.901 9.251 0.839 1.00 36.74 C ATOM 684 O GLU A 71 22.999 8.025 0.894 1.00 40.81 O ATOM 685 CB GLU A 71 20.478 9.638 1.320 1.00 42.29 C ATOM 686 CG GLU A 71 19.140 10.204 0.878 1.00 59.83 C ATOM 687 CD GLU A 71 18.025 9.889 1.854 1.00 71.52 C ATOM 688 OE1 GLU A 71 18.311 9.290 2.912 1.00 78.71 O ATOM 689 OE2 GLU A 71 16.862 10.239 1.562 1.00 55.26 O ATOM 690 H GLU A 71 20.988 8.458 -1.141 1.00 0.00 H ATOM 691 N LYS A 72 23.879 10.073 1.208 1.00 30.23 N ATOM 692 CA LYS A 72 25.154 9.573 1.712 1.00 33.86 C ATOM 693 C LYS A 72 24.995 8.822 3.031 1.00 33.98 C ATOM 694 O LYS A 72 24.145 9.160 3.854 1.00 46.05 O ATOM 695 CB LYS A 72 26.162 10.713 1.875 1.00 29.72 C ATOM 696 CG LYS A 72 26.677 11.281 0.563 1.00 48.09 C ATOM 697 CD LYS A 72 27.794 12.286 0.797 1.00 54.05 C ATOM 698 CE LYS A 72 28.329 12.835 -0.517 1.00 61.49 C ATOM 699 NZ LYS A 72 29.398 13.849 -0.303 1.00 71.21 N ATOM 700 HZ1 LYS A 72 29.016 14.643 0.250 1.00 0.00 H ATOM 701 HZ2 LYS A 72 30.189 13.414 0.214 1.00 0.00 H ATOM 702 HZ3 LYS A 72 29.734 14.196 -1.224 1.00 0.00 H ATOM 703 H LYS A 72 23.731 11.100 1.135 1.00 0.00 H ATOM 704 N PHE A 73 25.823 7.800 3.217 1.00 35.11 N ATOM 705 CA PHE A 73 25.796 6.985 4.425 1.00 33.00 C ATOM 706 C PHE A 73 27.186 6.419 4.673 1.00 41.17 C ATOM 707 O PHE A 73 28.007 6.355 3.758 1.00 41.49 O ATOM 708 CB PHE A 73 24.785 5.845 4.280 1.00 29.87 C ATOM 709 CG PHE A 73 25.175 4.813 3.256 1.00 33.23 C ATOM 710 CD1 PHE A 73 25.712 3.597 3.646 1.00 34.50 C ATOM 711 CD2 PHE A 73 25.007 5.061 1.904 1.00 30.98 C ATOM 712 CE1 PHE A 73 26.072 2.648 2.706 1.00 34.77 C ATOM 713 CE2 PHE A 73 25.371 4.119 0.959 1.00 36.10 C ATOM 714 CZ PHE A 73 25.900 2.910 1.361 1.00 34.91 C ATOM 715 H PHE A 73 26.515 7.573 2.474 1.00 0.00 H ATOM 716 N GLU A 74 27.455 6.010 5.908 1.00 40.00 N ATOM 717 CA GLU A 74 28.744 5.411 6.228 1.00 43.42 C ATOM 718 C GLU A 74 28.712 3.908 5.979 1.00 38.85 C ATOM 719 O GLU A 74 27.994 3.170 6.654 1.00 39.79 O ATOM 720 CB GLU A 74 29.145 5.703 7.674 1.00 51.12 C ATOM 721 CG GLU A 74 30.597 5.367 7.978 1.00 62.41 C ATOM 722 CD GLU A 74 30.987 5.689 9.405 1.00 71.73 C ATOM 723 OE1 GLU A 74 30.118 5.590 10.297 1.00 83.31 O ATOM 724 OE2 GLU A 74 32.162 6.045 9.635 1.00 72.07 O ATOM 725 H GLU A 74 26.738 6.118 6.654 1.00 0.00 H ATOM 726 N GLU A 75 29.492 3.461 5.002 1.00 35.69 N ATOM 727 CA GLU A 75 29.528 2.052 4.639 1.00 32.94 C ATOM 728 C GLU A 75 30.754 1.351 5.210 1.00 40.38 C ATOM 729 O GLU A 75 31.862 1.885 5.169 1.00 44.37 O ATOM 730 CB GLU A 75 29.517 1.895 3.118 1.00 37.38 C ATOM 731 CG GLU A 75 29.565 0.451 2.655 1.00 44.17 C ATOM 732 CD GLU A 75 29.950 0.316 1.198 1.00 44.72 C ATOM 733 OE1 GLU A 75 30.083 1.351 0.513 1.00 33.08 O ATOM 734 OE2 GLU A 75 30.127 -0.831 0.739 1.00 44.24 O ATOM 735 H GLU A 75 30.092 4.134 4.483 1.00 0.00 H ATOM 736 N THR A 76 30.546 0.154 5.747 1.00 41.77 N ATOM 737 CA THR A 76 31.652 -0.698 6.160 1.00 44.28 C ATOM 738 C THR A 76 31.887 -1.758 5.091 1.00 38.12 C ATOM 739 O THR A 76 31.124 -2.718 4.979 1.00 43.72 O ATOM 740 CB THR A 76 31.370 -1.388 7.506 1.00 46.46 C ATOM 741 OG1 THR A 76 31.164 -0.397 8.520 1.00 50.02 O ATOM 742 CG2 THR A 76 32.538 -2.277 7.903 1.00 35.95 C ATOM 743 HG1 THR A 76 30.983 -0.844 9.385 1.00 0.00 H ATOM 744 H THR A 76 29.570 -0.182 5.875 1.00 0.00 H ATOM 745 N THR A 77 32.938 -1.574 4.299 1.00 42.70 N ATOM 746 CA THR A 77 33.231 -2.487 3.200 1.00 40.21 C ATOM 747 C THR A 77 33.727 -3.832 3.715 1.00 43.29 C ATOM 748 O THR A 77 33.977 -3.997 4.909 1.00 46.94 O ATOM 749 CB THR A 77 34.276 -1.897 2.236 1.00 39.98 C ATOM 750 OG1 THR A 77 35.552 -1.840 2.885 1.00 45.71 O ATOM 751 CG2 THR A 77 33.868 -0.498 1.795 1.00 34.39 C ATOM 752 HG1 THR A 77 36.221 -1.460 2.262 1.00 0.00 H ATOM 753 H THR A 77 33.565 -0.761 4.466 1.00 0.00 H ATOM 754 N ALA A 78 33.868 -4.792 2.807 1.00 45.38 N ATOM 755 CA ALA A 78 34.314 -6.131 3.171 1.00 44.17 C ATOM 756 C ALA A 78 35.761 -6.133 3.653 1.00 51.03 C ATOM 757 O ALA A 78 36.129 -6.912 4.532 1.00 53.76 O ATOM 758 CB ALA A 78 34.144 -7.083 1.996 1.00 39.00 C ATOM 759 H ALA A 78 33.655 -4.582 1.811 1.00 0.00 H ATOM 760 N ASP A 79 36.578 -5.254 3.079 1.00 50.18 N ATOM 761 CA ASP A 79 37.998 -5.201 3.414 1.00 53.08 C ATOM 762 C ASP A 79 38.282 -4.367 4.662 1.00 55.09 C ATOM 763 O ASP A 79 39.432 -4.236 5.079 1.00 54.86 O ATOM 764 CB ASP A 79 38.820 -4.690 2.227 1.00 45.78 C ATOM 765 CG ASP A 79 38.285 -3.389 1.664 1.00 50.88 C ATOM 766 OD1 ASP A 79 39.083 -2.446 1.480 1.00 48.13 O ATOM 767 OD2 ASP A 79 37.068 -3.312 1.396 1.00 53.40 O ATOM 768 H ASP A 79 36.197 -4.590 2.376 1.00 0.00 H ATOM 769 N GLY A 80 37.233 -3.801 5.252 1.00 44.26 N ATOM 770 CA GLY A 80 37.365 -3.104 6.520 1.00 35.88 C ATOM 771 C GLY A 80 37.413 -1.590 6.434 1.00 45.24 C ATOM 772 O GLY A 80 37.621 -0.912 7.442 1.00 47.91 O ATOM 773 H GLY A 80 36.300 -3.858 4.797 1.00 0.00 H ATOM 774 N ARG A 81 37.223 -1.054 5.234 1.00 43.79 N ATOM 775 CA ARG A 81 37.189 0.392 5.050 1.00 32.70 C ATOM 776 C ARG A 81 35.895 0.999 5.582 1.00 42.64 C ATOM 777 O ARG A 81 34.819 0.409 5.459 1.00 48.40 O ATOM 778 CB ARG A 81 37.364 0.761 3.573 1.00 36.41 C ATOM 779 CG ARG A 81 38.797 0.709 3.071 1.00 39.68 C ATOM 780 CD ARG A 81 38.845 0.872 1.560 1.00 44.25 C ATOM 781 NE ARG A 81 38.134 -0.209 0.884 1.00 44.63 N ATOM 782 CZ ARG A 81 37.142 -0.033 0.017 1.00 37.96 C ATOM 783 NH1 ARG A 81 36.739 1.190 -0.299 1.00 32.30 N ATOM 784 NH2 ARG A 81 36.557 -1.083 -0.542 1.00 46.53 N ATOM 785 HE ARG A 81 38.424 -1.185 1.096 1.00 0.00 H ATOM 786 HH12 ARG A 81 35.962 1.322 -0.978 1.00 0.00 H ATOM 787 HH11 ARG A 81 37.200 2.017 0.132 1.00 0.00 H ATOM 788 HH22 ARG A 81 35.781 -0.946 -1.220 1.00 0.00 H ATOM 789 HH21 ARG A 81 36.874 -2.044 -0.302 1.00 0.00 H ATOM 790 H ARG A 81 37.096 -1.677 4.411 1.00 0.00 H ATOM 791 N LYS A 82 36.017 2.176 6.189 1.00 49.24 N ATOM 792 CA LYS A 82 34.861 2.987 6.553 1.00 37.05 C ATOM 793 C LYS A 82 34.788 4.135 5.556 1.00 45.42 C ATOM 794 O LYS A 82 35.635 5.031 5.571 1.00 43.02 O ATOM 795 CB LYS A 82 34.998 3.542 7.974 1.00 49.29 C ATOM 796 CG LYS A 82 34.969 2.493 9.085 1.00 59.22 C ATOM 797 CD LYS A 82 33.575 2.326 9.686 1.00 74.18 C ATOM 798 CE LYS A 82 33.630 1.576 11.017 1.00 92.47 C ATOM 799 NZ LYS A 82 34.583 2.193 11.986 1.00 72.51 N ATOM 800 HZ1 LYS A 82 35.540 2.191 11.578 1.00 0.00 H ATOM 801 HZ2 LYS A 82 34.291 3.172 12.183 1.00 0.00 H ATOM 802 HZ3 LYS A 82 34.580 1.645 12.870 1.00 0.00 H ATOM 803 H LYS A 82 36.969 2.530 6.412 1.00 0.00 H ATOM 804 N THR A 83 33.791 4.099 4.679 1.00 48.11 N ATOM 805 CA THR A 83 33.704 5.078 3.604 1.00 41.86 C ATOM 806 C THR A 83 32.409 5.876 3.657 1.00 41.43 C ATOM 807 O THR A 83 31.417 5.445 4.245 1.00 41.70 O ATOM 808 CB THR A 83 33.795 4.403 2.224 1.00 38.49 C ATOM 809 OG1 THR A 83 32.633 3.591 2.008 1.00 48.38 O ATOM 810 CG2 THR A 83 35.045 3.539 2.124 1.00 34.95 C ATOM 811 HG1 THR A 83 31.823 4.159 2.044 1.00 0.00 H ATOM 812 H THR A 83 33.062 3.361 4.761 1.00 0.00 H ATOM 813 N GLN A 84 32.434 7.057 3.056 1.00 49.63 N ATOM 814 CA GLN A 84 31.211 7.806 2.830 1.00 40.20 C ATOM 815 C GLN A 84 30.724 7.456 1.435 1.00 44.43 C ATOM 816 O GLN A 84 31.368 7.794 0.442 1.00 40.02 O ATOM 817 CB GLN A 84 31.456 9.306 2.961 1.00 36.64 C ATOM 818 CG GLN A 84 31.686 9.763 4.401 1.00 53.03 C ATOM 819 CD GLN A 84 30.449 9.602 5.268 1.00 67.27 C ATOM 820 OE1 GLN A 84 29.374 10.095 4.930 1.00 66.67 O ATOM 821 NE2 GLN A 84 30.595 8.901 6.387 1.00 63.27 N ATOM 822 HE22 GLN A 84 31.523 8.502 6.633 1.00 0.00 H ATOM 823 HE21 GLN A 84 29.781 8.751 7.017 1.00 0.00 H ATOM 824 H GLN A 84 33.343 7.453 2.742 1.00 0.00 H ATOM 825 N THR A 85 29.592 6.764 1.370 1.00 34.02 N ATOM 826 CA THR A 85 29.106 6.201 0.118 1.00 33.41 C ATOM 827 C THR A 85 27.748 6.780 -0.265 1.00 37.67 C ATOM 828 O THR A 85 26.894 7.007 0.589 1.00 40.11 O ATOM 829 CB THR A 85 28.994 4.655 0.212 1.00 35.96 C ATOM 830 OG1 THR A 85 30.267 4.095 0.560 1.00 40.45 O ATOM 831 CG2 THR A 85 28.529 4.053 -1.112 1.00 28.22 C ATOM 832 HG1 THR A 85 30.188 3.110 0.618 1.00 0.00 H ATOM 833 H THR A 85 29.037 6.620 2.238 1.00 0.00 H ATOM 834 N VAL A 86 27.564 7.039 -1.554 1.00 30.45 N ATOM 835 CA VAL A 86 26.247 7.358 -2.083 1.00 31.60 C ATOM 836 C VAL A 86 25.958 6.440 -3.265 1.00 33.47 C ATOM 837 O VAL A 86 26.829 6.187 -4.098 1.00 29.26 O ATOM 838 CB VAL A 86 26.119 8.847 -2.494 1.00 28.64 C ATOM 839 CG1 VAL A 86 27.166 9.220 -3.531 1.00 37.73 C ATOM 840 CG2 VAL A 86 24.716 9.144 -3.009 1.00 29.27 C ATOM 841 H VAL A 86 28.379 7.013 -2.200 1.00 0.00 H ATOM 842 N CYS A 87 24.741 5.912 -3.313 1.00 31.26 N ATOM 843 CA CYS A 87 24.331 5.065 -4.421 1.00 29.91 C ATOM 844 C CYS A 87 23.253 5.764 -5.232 1.00 32.92 C ATOM 845 O CYS A 87 22.317 6.335 -4.675 1.00 32.55 O ATOM 846 CB CYS A 87 23.823 3.714 -3.915 1.00 29.68 C ATOM 847 SG CYS A 87 25.058 2.734 -3.034 1.00 38.95 S ATOM 848 H CYS A 87 24.069 6.108 -2.544 1.00 0.00 H ATOM 849 N ASN A 88 23.400 5.730 -6.550 1.00 24.79 N ATOM 850 CA ASN A 88 22.407 6.302 -7.444 1.00 30.27 C ATOM 851 C ASN A 88 22.135 5.367 -8.607 1.00 32.27 C ATOM 852 O ASN A 88 23.040 4.687 -9.089 1.00 39.32 O ATOM 853 CB ASN A 88 22.874 7.658 -7.982 1.00 27.78 C ATOM 854 CG ASN A 88 22.987 8.711 -6.899 1.00 34.01 C ATOM 855 OD1 ASN A 88 21.982 9.232 -6.418 1.00 36.12 O ATOM 856 ND2 ASN A 88 24.216 9.040 -6.519 1.00 42.66 N ATOM 857 HD22 ASN A 88 25.037 8.573 -6.954 1.00 0.00 H ATOM 858 HD21 ASN A 88 24.357 9.765 -5.787 1.00 0.00 H ATOM 859 H ASN A 88 24.248 5.283 -6.954 1.00 0.00 H ATOM 860 N PHE A 89 20.887 5.324 -9.054 1.00 30.48 N ATOM 861 CA PHE A 89 20.572 4.633 -10.293 1.00 26.99 C ATOM 862 C PHE A 89 20.510 5.662 -11.412 1.00 35.71 C ATOM 863 O PHE A 89 19.475 6.286 -11.645 1.00 38.02 O ATOM 864 CB PHE A 89 19.261 3.858 -10.188 1.00 24.87 C ATOM 865 CG PHE A 89 19.047 2.893 -11.316 1.00 38.94 C ATOM 866 CD1 PHE A 89 19.897 1.812 -11.485 1.00 32.94 C ATOM 867 CD2 PHE A 89 18.004 3.066 -12.209 1.00 31.01 C ATOM 868 CE1 PHE A 89 19.712 0.921 -12.523 1.00 31.72 C ATOM 869 CE2 PHE A 89 17.811 2.176 -13.250 1.00 42.92 C ATOM 870 CZ PHE A 89 18.667 1.103 -13.407 1.00 36.59 C ATOM 871 H PHE A 89 20.129 5.788 -8.514 1.00 0.00 H ATOM 872 N THR A 90 21.637 5.840 -12.092 1.00 34.17 N ATOM 873 CA THR A 90 21.780 6.892 -13.088 1.00 33.32 C ATOM 874 C THR A 90 21.965 6.331 -14.491 1.00 39.73 C ATOM 875 O THR A 90 22.856 5.514 -14.730 1.00 43.78 O ATOM 876 CB THR A 90 22.977 7.802 -12.758 1.00 38.30 C ATOM 877 OG1 THR A 90 22.743 8.469 -11.512 1.00 44.44 O ATOM 878 CG2 THR A 90 23.184 8.837 -13.852 1.00 23.95 C ATOM 879 HG1 THR A 90 23.514 9.053 -11.302 1.00 0.00 H ATOM 880 H THR A 90 22.442 5.208 -11.907 1.00 0.00 H ATOM 881 N ASP A 91 21.113 6.781 -15.409 1.00 41.09 N ATOM 882 CA ASP A 91 21.196 6.409 -16.819 1.00 33.32 C ATOM 883 C ASP A 91 21.168 4.900 -17.038 1.00 31.73 C ATOM 884 O ASP A 91 21.875 4.379 -17.896 1.00 40.43 O ATOM 885 CB ASP A 91 22.443 7.021 -17.467 1.00 30.41 C ATOM 886 CG ASP A 91 22.454 8.537 -17.395 1.00 40.91 C ATOM 887 OD1 ASP A 91 21.360 9.140 -17.368 1.00 39.97 O ATOM 888 OD2 ASP A 91 23.555 9.125 -17.365 1.00 41.66 O ATOM 889 H ASP A 91 20.354 7.426 -15.109 1.00 0.00 H ATOM 890 N GLY A 92 20.351 4.203 -16.254 1.00 35.26 N ATOM 891 CA GLY A 92 20.173 2.772 -16.419 1.00 48.51 C ATOM 892 C GLY A 92 21.269 1.929 -15.797 1.00 42.09 C ATOM 893 O GLY A 92 21.426 0.757 -16.139 1.00 52.02 O ATOM 894 H GLY A 92 19.826 4.696 -15.503 1.00 0.00 H ATOM 895 N ALA A 93 22.029 2.520 -14.882 1.00 37.37 N ATOM 896 CA ALA A 93 23.094 1.797 -14.199 1.00 35.99 C ATOM 897 C ALA A 93 23.154 2.155 -12.719 1.00 30.37 C ATOM 898 O ALA A 93 22.965 3.311 -12.341 1.00 38.00 O ATOM 899 CB ALA A 93 24.434 2.066 -14.866 1.00 35.41 C ATOM 900 H ALA A 93 21.861 3.519 -14.648 1.00 0.00 H ATOM 901 N LEU A 94 23.415 1.154 -11.885 1.00 28.71 N ATOM 902 CA LEU A 94 23.547 1.365 -10.451 1.00 21.97 C ATOM 903 C LEU A 94 24.971 1.811 -10.139 1.00 32.56 C ATOM 904 O LEU A 94 25.923 1.057 -10.339 1.00 30.21 O ATOM 905 CB LEU A 94 23.206 0.081 -9.691 1.00 34.54 C ATOM 906 CG LEU A 94 22.847 0.210 -8.210 1.00 42.18 C ATOM 907 CD1 LEU A 94 21.720 1.212 -8.024 1.00 36.52 C ATOM 908 CD2 LEU A 94 22.455 -1.144 -7.639 1.00 31.96 C ATOM 909 H LEU A 94 23.528 0.193 -12.267 1.00 0.00 H ATOM 910 N VAL A 95 25.112 3.042 -9.659 1.00 30.36 N ATOM 911 CA VAL A 95 26.429 3.618 -9.413 1.00 26.47 C ATOM 912 C VAL A 95 26.710 3.790 -7.924 1.00 32.63 C ATOM 913 O VAL A 95 26.028 4.549 -7.235 1.00 32.43 O ATOM 914 CB VAL A 95 26.589 4.977 -10.120 1.00 30.08 C ATOM 915 CG1 VAL A 95 27.991 5.519 -9.909 1.00 23.73 C ATOM 916 CG2 VAL A 95 26.285 4.842 -11.605 1.00 24.66 C ATOM 917 H VAL A 95 24.264 3.608 -9.454 1.00 0.00 H ATOM 918 N GLN A 96 27.720 3.079 -7.435 1.00 34.09 N ATOM 919 CA GLN A 96 28.108 3.152 -6.032 1.00 30.01 C ATOM 920 C GLN A 96 29.427 3.900 -5.879 1.00 30.65 C ATOM 921 O GLN A 96 30.493 3.367 -6.185 1.00 31.07 O ATOM 922 CB GLN A 96 28.231 1.747 -5.441 1.00 26.38 C ATOM 923 CG GLN A 96 28.661 1.721 -3.986 1.00 26.73 C ATOM 924 CD GLN A 96 28.908 0.315 -3.479 1.00 35.46 C ATOM 925 OE1 GLN A 96 28.754 -0.660 -4.216 1.00 32.50 O ATOM 926 NE2 GLN A 96 29.297 0.201 -2.215 1.00 32.81 N ATOM 927 HE22 GLN A 96 29.414 1.052 -1.628 1.00 0.00 H ATOM 928 HE21 GLN A 96 29.484 -0.739 -1.811 1.00 0.00 H ATOM 929 H GLN A 96 28.250 2.451 -8.073 1.00 0.00 H ATOM 930 N HIS A 97 29.350 5.139 -5.403 1.00 30.53 N ATOM 931 CA HIS A 97 30.535 5.973 -5.247 1.00 33.71 C ATOM 932 C HIS A 97 31.031 5.974 -3.805 1.00 34.67 C ATOM 933 O HIS A 97 30.270 6.253 -2.880 1.00 37.01 O ATOM 934 CB HIS A 97 30.239 7.403 -5.701 1.00 31.99 C ATOM 935 CG HIS A 97 31.431 8.306 -5.665 1.00 45.96 C ATOM 936 ND1 HIS A 97 32.552 8.087 -6.436 1.00 52.44 N ATOM 937 CD2 HIS A 97 31.678 9.430 -4.953 1.00 49.03 C ATOM 938 CE1 HIS A 97 33.438 9.038 -6.201 1.00 51.82 C ATOM 939 NE2 HIS A 97 32.933 9.865 -5.304 1.00 46.61 N ATOM 940 H HIS A 97 28.421 5.523 -5.135 1.00 0.00 H ATOM 941 N GLN A 98 32.310 5.665 -3.621 1.00 30.59 N ATOM 942 CA GLN A 98 32.904 5.622 -2.289 1.00 35.57 C ATOM 943 C GLN A 98 33.988 6.678 -2.111 1.00 41.00 C ATOM 944 O GLN A 98 34.777 6.935 -3.022 1.00 41.26 O ATOM 945 CB GLN A 98 33.496 4.240 -2.007 1.00 30.39 C ATOM 946 CG GLN A 98 32.475 3.130 -1.865 1.00 30.54 C ATOM 947 CD GLN A 98 33.124 1.777 -1.658 1.00 35.74 C ATOM 948 OE1 GLN A 98 34.316 1.603 -1.914 1.00 32.51 O ATOM 949 NE2 GLN A 98 32.344 0.811 -1.189 1.00 34.05 N ATOM 950 HE22 GLN A 98 31.342 1.004 -0.987 1.00 0.00 H ATOM 951 HE21 GLN A 98 32.735 -0.139 -1.024 1.00 0.00 H ATOM 952 H GLN A 98 32.903 5.448 -4.447 1.00 0.00 H ATOM 953 N GLU A 99 34.022 7.284 -0.930 1.00 41.93 N ATOM 954 CA GLU A 99 35.071 8.234 -0.579 1.00 42.98 C ATOM 955 C GLU A 99 35.554 7.987 0.845 1.00 42.40 C ATOM 956 O GLU A 99 34.750 7.798 1.758 1.00 48.38 O ATOM 957 CB GLU A 99 34.575 9.674 -0.726 1.00 35.87 C ATOM 958 CG GLU A 99 34.288 10.090 -2.159 1.00 45.51 C ATOM 959 CD GLU A 99 33.837 11.532 -2.268 1.00 56.47 C ATOM 960 OE1 GLU A 99 33.887 12.251 -1.248 1.00 67.04 O ATOM 961 OE2 GLU A 99 33.432 11.947 -3.375 1.00 61.02 O ATOM 962 H GLU A 99 33.278 7.075 -0.234 1.00 0.00 H ATOM 963 N TRP A 100 36.871 7.987 1.025 1.00 44.47 N ATOM 964 CA TRP A 100 37.468 7.764 2.335 1.00 40.42 C ATOM 965 C TRP A 100 38.929 8.202 2.333 1.00 46.61 C ATOM 966 O TRP A 100 39.670 7.901 1.397 1.00 50.06 O ATOM 967 CB TRP A 100 37.366 6.287 2.730 1.00 32.24 C ATOM 968 CG TRP A 100 38.355 5.405 2.027 1.00 41.75 C ATOM 969 CD1 TRP A 100 39.506 4.889 2.548 1.00 30.08 C ATOM 970 CD2 TRP A 100 38.293 4.952 0.669 1.00 38.86 C ATOM 971 NE1 TRP A 100 40.160 4.136 1.603 1.00 41.79 N ATOM 972 CE2 TRP A 100 39.435 4.159 0.439 1.00 40.41 C ATOM 973 CE3 TRP A 100 37.380 5.135 -0.375 1.00 40.65 C ATOM 974 CZ2 TRP A 100 39.689 3.551 -0.788 1.00 34.46 C ATOM 975 CZ3 TRP A 100 37.634 4.531 -1.593 1.00 41.57 C ATOM 976 CH2 TRP A 100 38.779 3.749 -1.789 1.00 37.75 C ATOM 977 HE1 TRP A 100 41.058 3.631 1.747 1.00 0.00 H ATOM 978 H TRP A 100 37.493 8.151 0.208 1.00 0.00 H ATOM 979 N ASP A 101 39.327 8.924 3.377 1.00 57.76 N ATOM 980 CA ASP A 101 40.717 9.338 3.570 1.00 42.90 C ATOM 981 C ASP A 101 41.296 10.040 2.341 1.00 43.19 C ATOM 982 O ASP A 101 42.462 9.848 1.995 1.00 46.02 O ATOM 983 CB ASP A 101 41.577 8.129 3.954 1.00 51.92 C ATOM 984 CG ASP A 101 42.835 8.520 4.704 1.00 50.97 C ATOM 985 OD1 ASP A 101 42.917 9.676 5.172 1.00 54.20 O ATOM 986 OD2 ASP A 101 43.736 7.666 4.838 1.00 41.85 O ATOM 987 H ASP A 101 38.620 9.206 4.086 1.00 0.00 H ATOM 988 N GLY A 102 40.469 10.844 1.679 1.00 45.79 N ATOM 989 CA GLY A 102 40.890 11.571 0.496 1.00 42.41 C ATOM 990 C GLY A 102 40.931 10.717 -0.758 1.00 49.51 C ATOM 991 O GLY A 102 41.306 11.193 -1.830 1.00 54.43 O ATOM 992 H GLY A 102 39.492 10.955 2.019 1.00 0.00 H ATOM 993 N LYS A 103 40.541 9.453 -0.627 1.00 53.69 N ATOM 994 CA LYS A 103 40.566 8.524 -1.753 1.00 43.82 C ATOM 995 C LYS A 103 39.180 8.336 -2.365 1.00 52.91 C ATOM 996 O LYS A 103 38.177 8.784 -1.809 1.00 54.85 O ATOM 997 CB LYS A 103 41.157 7.181 -1.323 1.00 41.40 C ATOM 998 CG LYS A 103 42.603 7.276 -0.866 1.00 45.52 C ATOM 999 CD LYS A 103 42.942 6.183 0.132 1.00 58.34 C ATOM 1000 CE LYS A 103 44.377 6.309 0.616 1.00 55.67 C ATOM 1001 NZ LYS A 103 44.674 5.349 1.715 1.00 59.68 N ATOM 1002 HZ1 LYS A 103 44.040 5.536 2.518 1.00 0.00 H ATOM 1003 HZ2 LYS A 103 44.527 4.377 1.374 1.00 0.00 H ATOM 1004 HZ3 LYS A 103 45.662 5.466 2.018 1.00 0.00 H ATOM 1005 H LYS A 103 40.210 9.118 0.300 1.00 0.00 H ATOM 1006 N GLU A 104 39.135 7.665 -3.511 1.00 39.67 N ATOM 1007 CA GLU A 104 37.908 7.563 -4.288 1.00 36.25 C ATOM 1008 C GLU A 104 37.809 6.229 -5.018 1.00 34.91 C ATOM 1009 O GLU A 104 38.813 5.691 -5.483 1.00 40.36 O ATOM 1010 CB GLU A 104 37.859 8.695 -5.313 1.00 35.44 C ATOM 1011 CG GLU A 104 36.623 9.564 -5.241 1.00 51.65 C ATOM 1012 CD GLU A 104 36.543 10.536 -6.399 1.00 69.08 C ATOM 1013 OE1 GLU A 104 37.435 10.492 -7.273 1.00 71.57 O ATOM 1014 OE2 GLU A 104 35.590 11.343 -6.440 1.00 79.47 O ATOM 1015 H GLU A 104 39.997 7.201 -3.862 1.00 0.00 H ATOM 1016 N SER A 105 36.592 5.706 -5.124 1.00 41.44 N ATOM 1017 CA SER A 105 36.344 4.494 -5.897 1.00 34.05 C ATOM 1018 C SER A 105 34.885 4.413 -6.327 1.00 33.21 C ATOM 1019 O SER A 105 33.984 4.795 -5.579 1.00 30.65 O ATOM 1020 CB SER A 105 36.727 3.247 -5.099 1.00 33.06 C ATOM 1021 OG SER A 105 36.581 2.078 -5.887 1.00 39.36 O ATOM 1022 HG SER A 105 36.834 1.286 -5.350 1.00 0.00 H ATOM 1023 H SER A 105 35.796 6.173 -4.644 1.00 0.00 H ATOM 1024 N THR A 106 34.657 3.916 -7.537 1.00 32.64 N ATOM 1025 CA THR A 106 33.304 3.790 -8.061 1.00 33.44 C ATOM 1026 C THR A 106 33.030 2.384 -8.581 1.00 37.68 C ATOM 1027 O THR A 106 33.778 1.855 -9.403 1.00 36.87 O ATOM 1028 CB THR A 106 33.039 4.803 -9.190 1.00 33.72 C ATOM 1029 OG1 THR A 106 33.334 6.126 -8.727 1.00 40.78 O ATOM 1030 CG2 THR A 106 31.586 4.737 -9.632 1.00 30.80 C ATOM 1031 HG1 THR A 106 34.285 6.175 -8.456 1.00 0.00 H ATOM 1032 H THR A 106 35.461 3.611 -8.122 1.00 0.00 H ATOM 1033 N ILE A 107 31.953 1.782 -8.087 1.00 33.73 N ATOM 1034 CA ILE A 107 31.501 0.488 -8.575 1.00 28.95 C ATOM 1035 C ILE A 107 30.209 0.669 -9.362 1.00 31.73 C ATOM 1036 O ILE A 107 29.214 1.164 -8.831 1.00 30.60 O ATOM 1037 CB ILE A 107 31.257 -0.498 -7.421 1.00 36.51 C ATOM 1038 CG1 ILE A 107 32.557 -0.749 -6.654 1.00 34.67 C ATOM 1039 CG2 ILE A 107 30.683 -1.804 -7.950 1.00 30.45 C ATOM 1040 CD1 ILE A 107 32.373 -1.556 -5.388 1.00 35.48 C ATOM 1041 H ILE A 107 31.417 2.250 -7.329 1.00 0.00 H ATOM 1042 N THR A 108 30.231 0.276 -10.630 1.00 39.97 N ATOM 1043 CA THR A 108 29.062 0.421 -11.489 1.00 28.30 C ATOM 1044 C THR A 108 28.484 -0.935 -11.875 1.00 34.68 C ATOM 1045 O THR A 108 29.180 -1.785 -12.429 1.00 39.26 O ATOM 1046 CB THR A 108 29.390 1.224 -12.762 1.00 27.48 C ATOM 1047 OG1 THR A 108 29.825 2.540 -12.399 1.00 33.13 O ATOM 1048 CG2 THR A 108 28.163 1.331 -13.654 1.00 36.73 C ATOM 1049 HG1 THR A 108 30.035 3.054 -13.218 1.00 0.00 H ATOM 1050 H THR A 108 31.100 -0.144 -11.018 1.00 0.00 H ATOM 1051 N ARG A 109 27.205 -1.128 -11.573 1.00 36.55 N ATOM 1052 CA ARG A 109 26.519 -2.375 -11.882 1.00 27.86 C ATOM 1053 C ARG A 109 25.445 -2.152 -12.938 1.00 38.91 C ATOM 1054 O ARG A 109 24.555 -1.319 -12.764 1.00 37.38 O ATOM 1055 CB ARG A 109 25.893 -2.966 -10.619 1.00 26.71 C ATOM 1056 CG ARG A 109 26.900 -3.356 -9.552 1.00 30.78 C ATOM 1057 CD ARG A 109 26.206 -3.874 -8.304 1.00 25.16 C ATOM 1058 NE ARG A 109 27.161 -4.332 -7.300 1.00 31.00 N ATOM 1059 CZ ARG A 109 27.690 -3.552 -6.362 1.00 36.05 C ATOM 1060 NH1 ARG A 109 27.357 -2.270 -6.299 1.00 33.44 N ATOM 1061 NH2 ARG A 109 28.552 -4.054 -5.488 1.00 28.54 N ATOM 1062 HE ARG A 109 27.446 -5.332 -7.319 1.00 0.00 H ATOM 1063 HH12 ARG A 109 27.771 -1.661 -5.565 1.00 0.00 H ATOM 1064 HH11 ARG A 109 26.682 -1.874 -6.984 1.00 0.00 H ATOM 1065 HH22 ARG A 109 28.965 -3.443 -4.755 1.00 0.00 H ATOM 1066 HH21 ARG A 109 28.815 -5.059 -5.536 1.00 0.00 H ATOM 1067 H ARG A 109 26.678 -0.366 -11.102 1.00 0.00 H ATOM 1068 N LYS A 110 25.531 -2.898 -14.034 1.00 35.09 N ATOM 1069 CA LYS A 110 24.551 -2.780 -15.105 1.00 36.33 C ATOM 1070 C LYS A 110 24.133 -4.148 -15.630 1.00 40.85 C ATOM 1071 O LYS A 110 24.839 -5.140 -15.448 1.00 40.09 O ATOM 1072 CB LYS A 110 25.102 -1.925 -16.250 1.00 32.49 C ATOM 1073 CG LYS A 110 26.352 -2.489 -16.905 1.00 40.40 C ATOM 1074 CD LYS A 110 26.764 -1.672 -18.122 1.00 42.68 C ATOM 1075 CE LYS A 110 27.120 -0.242 -17.745 1.00 67.78 C ATOM 1076 NZ LYS A 110 27.551 0.554 -18.929 1.00 74.22 N ATOM 1077 HZ1 LYS A 110 28.389 0.111 -19.357 1.00 0.00 H ATOM 1078 HZ2 LYS A 110 26.779 0.583 -19.626 1.00 0.00 H ATOM 1079 HZ3 LYS A 110 27.784 1.522 -18.628 1.00 0.00 H ATOM 1080 H LYS A 110 26.312 -3.578 -14.129 1.00 0.00 H ATOM 1081 N LEU A 111 22.972 -4.193 -16.274 1.00 44.59 N ATOM 1082 CA LEU A 111 22.505 -5.407 -16.923 1.00 35.00 C ATOM 1083 C LEU A 111 22.953 -5.385 -18.378 1.00 39.46 C ATOM 1084 O LEU A 111 22.799 -4.377 -19.066 1.00 47.30 O ATOM 1085 CB LEU A 111 20.982 -5.506 -16.843 1.00 24.61 C ATOM 1086 CG LEU A 111 20.354 -6.832 -17.279 1.00 51.79 C ATOM 1087 CD1 LEU A 111 20.732 -7.950 -16.318 1.00 38.06 C ATOM 1088 CD2 LEU A 111 18.843 -6.702 -17.388 1.00 44.76 C ATOM 1089 H LEU A 111 22.382 -3.338 -16.315 1.00 0.00 H ATOM 1090 N LYS A 112 23.520 -6.493 -18.841 1.00 47.66 N ATOM 1091 CA LYS A 112 23.984 -6.586 -20.219 1.00 38.99 C ATOM 1092 C LYS A 112 23.960 -8.033 -20.694 1.00 48.81 C ATOM 1093 O LYS A 112 24.658 -8.884 -20.143 1.00 50.69 O ATOM 1094 CB LYS A 112 25.392 -6.005 -20.349 1.00 40.47 C ATOM 1095 CG LYS A 112 25.857 -5.816 -21.783 1.00 64.13 C ATOM 1096 CD LYS A 112 27.223 -5.149 -21.831 1.00 63.88 C ATOM 1097 CE LYS A 112 27.655 -4.872 -23.261 1.00 81.75 C ATOM 1098 NZ LYS A 112 27.745 -6.121 -24.066 1.00 84.37 N ATOM 1099 HZ1 LYS A 112 28.441 -6.761 -23.633 1.00 0.00 H ATOM 1100 HZ2 LYS A 112 26.814 -6.584 -24.090 1.00 0.00 H ATOM 1101 HZ3 LYS A 112 28.043 -5.887 -25.035 1.00 0.00 H ATOM 1102 H LYS A 112 23.635 -7.310 -18.208 1.00 0.00 H ATOM 1103 N ASP A 113 23.146 -8.295 -21.714 1.00 60.75 N ATOM 1104 CA ASP A 113 22.966 -9.639 -22.261 1.00 57.81 C ATOM 1105 C ASP A 113 22.479 -10.626 -21.201 1.00 52.56 C ATOM 1106 O ASP A 113 22.850 -11.800 -21.211 1.00 54.05 O ATOM 1107 CB ASP A 113 24.255 -10.142 -22.919 1.00 57.34 C ATOM 1108 CG ASP A 113 24.708 -9.256 -24.063 1.00 80.57 C ATOM 1109 OD1 ASP A 113 24.243 -8.099 -24.142 1.00 79.07 O ATOM 1110 OD2 ASP A 113 25.534 -9.715 -24.880 1.00 82.78 O ATOM 1111 H ASP A 113 22.615 -7.509 -22.141 1.00 0.00 H ATOM 1112 N GLY A 114 21.647 -10.136 -20.287 1.00 39.62 N ATOM 1113 CA GLY A 114 21.060 -10.971 -19.256 1.00 43.90 C ATOM 1114 C GLY A 114 21.957 -11.194 -18.053 1.00 46.77 C ATOM 1115 O GLY A 114 21.533 -11.780 -17.057 1.00 49.23 O ATOM 1116 H GLY A 114 21.410 -9.124 -20.312 1.00 0.00 H ATOM 1117 N LYS A 115 23.198 -10.725 -18.139 1.00 43.33 N ATOM 1118 CA LYS A 115 24.163 -10.933 -17.066 1.00 40.89 C ATOM 1119 C LYS A 115 24.471 -9.650 -16.301 1.00 45.99 C ATOM 1120 O LYS A 115 24.466 -8.557 -16.868 1.00 50.31 O ATOM 1121 CB LYS A 115 25.457 -11.536 -17.617 1.00 38.97 C ATOM 1122 CG LYS A 115 25.298 -12.939 -18.181 1.00 53.20 C ATOM 1123 CD LYS A 115 26.622 -13.477 -18.700 1.00 56.68 C ATOM 1124 CE LYS A 115 26.474 -14.893 -19.233 1.00 56.76 C ATOM 1125 NZ LYS A 115 26.002 -15.836 -18.181 1.00 87.65 N ATOM 1126 HZ1 LYS A 115 26.687 -15.852 -17.399 1.00 0.00 H ATOM 1127 HZ2 LYS A 115 25.076 -15.522 -17.826 1.00 0.00 H ATOM 1128 HZ3 LYS A 115 25.915 -16.790 -18.586 1.00 0.00 H ATOM 1129 H LYS A 115 23.486 -10.199 -18.989 1.00 0.00 H ATOM 1130 N LEU A 116 24.735 -9.795 -15.006 1.00 38.23 N ATOM 1131 CA LEU A 116 25.112 -8.666 -14.169 1.00 34.46 C ATOM 1132 C LEU A 116 26.578 -8.324 -14.390 1.00 39.85 C ATOM 1133 O LEU A 116 27.465 -9.115 -14.070 1.00 38.49 O ATOM 1134 CB LEU A 116 24.873 -8.989 -12.694 1.00 38.96 C ATOM 1135 CG LEU A 116 25.206 -7.888 -11.685 1.00 39.02 C ATOM 1136 CD1 LEU A 116 24.257 -6.711 -11.844 1.00 32.95 C ATOM 1137 CD2 LEU A 116 25.169 -8.432 -10.263 1.00 31.63 C ATOM 1138 H LEU A 116 24.670 -10.741 -14.580 1.00 0.00 H ATOM 1139 N VAL A 117 26.828 -7.144 -14.945 1.00 29.76 N ATOM 1140 CA VAL A 117 28.189 -6.698 -15.201 1.00 34.99 C ATOM 1141 C VAL A 117 28.638 -5.712 -14.129 1.00 38.33 C ATOM 1142 O VAL A 117 28.132 -4.593 -14.054 1.00 38.67 O ATOM 1143 CB VAL A 117 28.314 -6.040 -16.587 1.00 34.64 C ATOM 1144 CG1 VAL A 117 29.743 -5.577 -16.827 1.00 34.00 C ATOM 1145 CG2 VAL A 117 27.875 -7.010 -17.672 1.00 37.57 C ATOM 1146 H VAL A 117 26.033 -6.525 -15.202 1.00 0.00 H ATOM 1147 N VAL A 118 29.585 -6.136 -13.298 1.00 29.38 N ATOM 1148 CA VAL A 118 30.097 -5.288 -12.227 1.00 35.53 C ATOM 1149 C VAL A 118 31.466 -4.718 -12.585 1.00 35.95 C ATOM 1150 O VAL A 118 32.385 -5.456 -12.949 1.00 37.88 O ATOM 1151 CB VAL A 118 30.172 -6.044 -10.888 1.00 27.72 C ATOM 1152 CG1 VAL A 118 30.734 -5.139 -9.805 1.00 33.30 C ATOM 1153 CG2 VAL A 118 28.795 -6.560 -10.496 1.00 27.28 C ATOM 1154 H VAL A 118 29.970 -7.095 -13.414 1.00 0.00 H ATOM 1155 N GLU A 119 31.594 -3.399 -12.479 1.00 33.75 N ATOM 1156 CA GLU A 119 32.796 -2.704 -12.926 1.00 36.46 C ATOM 1157 C GLU A 119 33.347 -1.799 -11.826 1.00 36.82 C ATOM 1158 O GLU A 119 32.750 -0.773 -11.505 1.00 39.28 O ATOM 1159 CB GLU A 119 32.481 -1.893 -14.188 1.00 30.32 C ATOM 1160 CG GLU A 119 33.632 -1.079 -14.750 1.00 61.54 C ATOM 1161 CD GLU A 119 33.203 -0.215 -15.923 1.00 87.47 C ATOM 1162 OE1 GLU A 119 32.474 -0.715 -16.812 1.00 91.91 O ATOM 1163 OE2 GLU A 119 33.590 0.971 -15.946 1.00 69.98 O ATOM 1164 H GLU A 119 30.815 -2.847 -12.066 1.00 0.00 H ATOM 1165 N CYS A 120 34.484 -2.190 -11.253 1.00 38.96 N ATOM 1166 CA CYS A 120 35.093 -1.456 -10.147 1.00 35.12 C ATOM 1167 C CYS A 120 36.257 -0.609 -10.647 1.00 42.12 C ATOM 1168 O CYS A 120 37.117 -1.099 -11.378 1.00 47.90 O ATOM 1169 CB CYS A 120 35.581 -2.432 -9.076 1.00 37.05 C ATOM 1170 SG CYS A 120 34.384 -3.722 -8.663 1.00 51.10 S ATOM 1171 H CYS A 120 34.955 -3.048 -11.605 1.00 0.00 H ATOM 1172 N VAL A 121 36.282 0.661 -10.254 1.00 43.42 N ATOM 1173 CA VAL A 121 37.312 1.583 -10.721 1.00 40.03 C ATOM 1174 C VAL A 121 37.935 2.391 -9.587 1.00 40.61 C ATOM 1175 O VAL A 121 37.234 3.056 -8.824 1.00 45.53 O ATOM 1176 CB VAL A 121 36.754 2.569 -11.773 1.00 33.36 C ATOM 1177 CG1 VAL A 121 37.810 3.595 -12.154 1.00 40.93 C ATOM 1178 CG2 VAL A 121 36.264 1.824 -13.004 1.00 39.89 C ATOM 1179 H VAL A 121 35.551 1.005 -9.599 1.00 0.00 H ATOM 1180 N MET A 122 39.258 2.320 -9.479 1.00 39.39 N ATOM 1181 CA MET A 122 40.006 3.219 -8.610 1.00 47.31 C ATOM 1182 C MET A 122 41.252 3.712 -9.333 1.00 46.75 C ATOM 1183 O MET A 122 42.105 2.915 -9.729 1.00 48.28 O ATOM 1184 CB MET A 122 40.390 2.542 -7.294 1.00 47.17 C ATOM 1185 CG MET A 122 41.093 3.481 -6.324 1.00 39.16 C ATOM 1186 SD MET A 122 41.390 2.765 -4.698 1.00 57.51 S ATOM 1187 CE MET A 122 42.096 4.170 -3.838 1.00 44.46 C ATOM 1188 H MET A 122 39.773 1.604 -10.030 1.00 0.00 H ATOM 1189 N ASN A 123 41.343 5.029 -9.501 1.00 54.15 N ATOM 1190 CA ASN A 123 42.431 5.654 -10.250 1.00 52.09 C ATOM 1191 C ASN A 123 42.533 5.113 -11.674 1.00 52.07 C ATOM 1192 O ASN A 123 41.597 5.243 -12.464 1.00 58.72 O ATOM 1193 CB ASN A 123 43.765 5.499 -9.514 1.00 51.04 C ATOM 1194 CG ASN A 123 43.728 6.077 -8.113 1.00 41.86 C ATOM 1195 OD1 ASN A 123 43.120 7.120 -7.874 1.00 59.67 O ATOM 1196 ND2 ASN A 123 44.376 5.396 -7.175 1.00 46.06 N ATOM 1197 HD22 ASN A 123 44.877 4.519 -7.422 1.00 0.00 H ATOM 1198 HD21 ASN A 123 44.383 5.740 -6.194 1.00 0.00 H ATOM 1199 H ASN A 123 40.611 5.638 -9.083 1.00 0.00 H ATOM 1200 N ASN A 124 43.668 4.500 -11.994 1.00 62.77 N ATOM 1201 CA ASN A 124 43.892 3.953 -13.327 1.00 70.15 C ATOM 1202 C ASN A 124 43.469 2.492 -13.444 1.00 63.20 C ATOM 1203 O ASN A 124 43.498 1.916 -14.532 1.00 71.74 O ATOM 1204 CB ASN A 124 45.363 4.094 -13.726 1.00 84.16 C ATOM 1205 CG ASN A 124 45.848 5.529 -13.671 1.00 94.08 C ATOM 1206 OD1 ASN A 124 45.549 6.331 -14.555 1.00100.10 O ATOM 1207 ND2 ASN A 124 46.609 5.856 -12.633 1.00 90.04 N ATOM 1208 HD22 ASN A 124 46.836 5.144 -11.910 1.00 0.00 H ATOM 1209 HD21 ASN A 124 46.978 6.824 -12.543 1.00 0.00 H ATOM 1210 H ASN A 124 44.415 4.408 -11.276 1.00 0.00 H ATOM 1211 N VAL A 125 43.077 1.896 -12.324 1.00 48.12 N ATOM 1212 CA VAL A 125 42.750 0.474 -12.294 1.00 56.76 C ATOM 1213 C VAL A 125 41.264 0.211 -12.531 1.00 55.71 C ATOM 1214 O VAL A 125 40.404 0.828 -11.903 1.00 50.42 O ATOM 1215 CB VAL A 125 43.173 -0.173 -10.961 1.00 53.47 C ATOM 1216 CG1 VAL A 125 42.951 -1.676 -11.009 1.00 44.28 C ATOM 1217 CG2 VAL A 125 44.629 0.141 -10.661 1.00 43.37 C ATOM 1218 H VAL A 125 43.001 2.454 -11.450 1.00 0.00 H ATOM 1219 N THR A 126 40.974 -0.711 -13.443 1.00 43.20 N ATOM 1220 CA THR A 126 39.603 -1.112 -13.723 1.00 41.24 C ATOM 1221 C THR A 126 39.440 -2.618 -13.552 1.00 40.18 C ATOM 1222 O THR A 126 40.240 -3.402 -14.062 1.00 54.93 O ATOM 1223 CB THR A 126 39.173 -0.716 -15.149 1.00 48.74 C ATOM 1224 OG1 THR A 126 39.306 0.701 -15.315 1.00 58.39 O ATOM 1225 CG2 THR A 126 37.727 -1.116 -15.405 1.00 50.04 C ATOM 1226 HG1 THR A 126 39.029 0.952 -16.232 1.00 0.00 H ATOM 1227 H THR A 126 41.749 -1.159 -13.972 1.00 0.00 H ATOM 1228 N CYS A 127 38.404 -3.013 -12.820 1.00 44.72 N ATOM 1229 CA CYS A 127 38.085 -4.421 -12.630 1.00 38.58 C ATOM 1230 C CYS A 127 36.705 -4.723 -13.195 1.00 38.01 C ATOM 1231 O CYS A 127 35.767 -3.953 -13.001 1.00 39.23 O ATOM 1232 CB CYS A 127 38.128 -4.780 -11.145 1.00 35.81 C ATOM 1233 SG CYS A 127 37.275 -6.317 -10.730 1.00 56.61 S ATOM 1234 H CYS A 127 37.802 -2.295 -12.369 1.00 0.00 H ATOM 1235 N THR A 128 36.582 -5.843 -13.898 1.00 42.08 N ATOM 1236 CA THR A 128 35.300 -6.239 -14.467 1.00 33.54 C ATOM 1237 C THR A 128 34.911 -7.643 -14.020 1.00 38.64 C ATOM 1238 O THR A 128 35.605 -8.616 -14.316 1.00 49.60 O ATOM 1239 CB THR A 128 35.315 -6.182 -16.004 1.00 27.06 C ATOM 1240 OG1 THR A 128 35.841 -4.921 -16.434 1.00 47.92 O ATOM 1241 CG2 THR A 128 33.908 -6.353 -16.552 1.00 32.15 C ATOM 1242 HG1 THR A 128 35.849 -4.888 -17.423 1.00 0.00 H ATOM 1243 H THR A 128 37.415 -6.448 -14.045 1.00 0.00 H ATOM 1244 N ARG A 129 33.797 -7.738 -13.303 1.00 34.36 N ATOM 1245 CA ARG A 129 33.308 -9.019 -12.813 1.00 37.36 C ATOM 1246 C ARG A 129 31.905 -9.299 -13.339 1.00 41.72 C ATOM 1247 O ARG A 129 31.034 -8.430 -13.310 1.00 34.22 O ATOM 1248 CB ARG A 129 33.338 -9.051 -11.283 1.00 33.31 C ATOM 1249 CG ARG A 129 34.748 -9.037 -10.713 1.00 35.16 C ATOM 1250 CD ARG A 129 34.783 -8.593 -9.259 1.00 31.73 C ATOM 1251 NE ARG A 129 34.143 -9.549 -8.360 1.00 43.55 N ATOM 1252 CZ ARG A 129 34.732 -10.646 -7.894 1.00 45.16 C ATOM 1253 NH1 ARG A 129 35.975 -10.938 -8.250 1.00 40.81 N ATOM 1254 NH2 ARG A 129 34.074 -11.456 -7.076 1.00 46.33 N ATOM 1255 HE ARG A 129 33.164 -9.360 -8.065 1.00 0.00 H ATOM 1256 HH12 ARG A 129 36.433 -11.797 -7.884 1.00 0.00 H ATOM 1257 HH11 ARG A 129 36.493 -10.308 -8.896 1.00 0.00 H ATOM 1258 HH22 ARG A 129 34.535 -12.314 -6.712 1.00 0.00 H ATOM 1259 HH21 ARG A 129 33.097 -11.233 -6.799 1.00 0.00 H ATOM 1260 H ARG A 129 33.260 -6.874 -13.086 1.00 0.00 H ATOM 1261 N ILE A 130 31.699 -10.517 -13.830 1.00 41.00 N ATOM 1262 CA ILE A 130 30.424 -10.894 -14.424 1.00 31.47 C ATOM 1263 C ILE A 130 29.668 -11.882 -13.544 1.00 38.40 C ATOM 1264 O ILE A 130 30.209 -12.910 -13.136 1.00 38.42 O ATOM 1265 CB ILE A 130 30.614 -11.524 -15.817 1.00 38.07 C ATOM 1266 CG1 ILE A 130 31.583 -10.690 -16.658 1.00 34.34 C ATOM 1267 CG2 ILE A 130 29.273 -11.673 -16.522 1.00 35.93 C ATOM 1268 CD1 ILE A 130 31.058 -9.319 -17.017 1.00 47.35 C ATOM 1269 H ILE A 130 32.467 -11.217 -13.789 1.00 0.00 H ATOM 1270 N TYR A 131 28.414 -11.557 -13.253 1.00 31.79 N ATOM 1271 CA TYR A 131 27.538 -12.452 -12.513 1.00 32.83 C ATOM 1272 C TYR A 131 26.411 -12.903 -13.430 1.00 41.96 C ATOM 1273 O TYR A 131 26.052 -12.198 -14.373 1.00 46.44 O ATOM 1274 CB TYR A 131 26.940 -11.741 -11.299 1.00 37.14 C ATOM 1275 CG TYR A 131 27.928 -11.390 -10.209 1.00 29.92 C ATOM 1276 CD1 TYR A 131 27.973 -12.119 -9.027 1.00 26.65 C ATOM 1277 CD2 TYR A 131 28.803 -10.322 -10.353 1.00 29.75 C ATOM 1278 CE1 TYR A 131 28.867 -11.799 -8.024 1.00 27.21 C ATOM 1279 CE2 TYR A 131 29.701 -9.995 -9.356 1.00 24.28 C ATOM 1280 CZ TYR A 131 29.729 -10.737 -8.194 1.00 26.21 C ATOM 1281 OH TYR A 131 30.621 -10.414 -7.198 1.00 35.62 O ATOM 1282 HH TYR A 131 30.449 -9.489 -6.890 1.00 0.00 H ATOM 1283 H TYR A 131 28.047 -10.635 -13.563 1.00 0.00 H ATOM 1284 N GLU A 132 25.855 -14.078 -13.160 1.00 35.21 N ATOM 1285 CA GLU A 132 24.674 -14.523 -13.886 1.00 49.67 C ATOM 1286 C GLU A 132 23.572 -14.928 -12.916 1.00 41.16 C ATOM 1287 O GLU A 132 23.841 -15.286 -11.768 1.00 41.61 O ATOM 1288 CB GLU A 132 25.005 -15.660 -14.858 1.00 42.49 C ATOM 1289 CG GLU A 132 25.290 -16.998 -14.208 1.00 57.14 C ATOM 1290 CD GLU A 132 25.632 -18.067 -15.229 1.00 79.36 C ATOM 1291 OE1 GLU A 132 26.057 -17.705 -16.348 1.00 69.26 O ATOM 1292 OE2 GLU A 132 25.470 -19.265 -14.918 1.00 73.48 O ATOM 1293 H GLU A 132 26.267 -14.686 -12.423 1.00 0.00 H ATOM 1294 N LYS A 133 22.332 -14.859 -13.384 1.00 39.11 N ATOM 1295 CA LYS A 133 21.176 -15.066 -12.524 1.00 36.08 C ATOM 1296 C LYS A 133 21.091 -16.492 -11.990 1.00 36.47 C ATOM 1297 O LYS A 133 21.214 -17.456 -12.743 1.00 40.63 O ATOM 1298 CB LYS A 133 19.889 -14.712 -13.271 1.00 38.04 C ATOM 1299 CG LYS A 133 18.767 -14.263 -12.359 1.00 40.72 C ATOM 1300 CD LYS A 133 19.195 -13.049 -11.554 1.00 45.57 C ATOM 1301 CE LYS A 133 18.164 -12.685 -10.506 1.00 40.58 C ATOM 1302 NZ LYS A 133 16.836 -12.399 -11.113 1.00 53.18 N ATOM 1303 HZ1 LYS A 133 16.924 -11.603 -11.776 1.00 0.00 H ATOM 1304 HZ2 LYS A 133 16.501 -13.241 -11.623 1.00 0.00 H ATOM 1305 HZ3 LYS A 133 16.159 -12.154 -10.363 1.00 0.00 H ATOM 1306 H LYS A 133 22.182 -14.652 -14.392 1.00 0.00 H ATOM 1307 N VAL A 134 20.886 -16.614 -10.683 1.00 38.83 N ATOM 1308 CA VAL A 134 20.653 -17.911 -10.065 1.00 36.63 C ATOM 1309 C VAL A 134 19.158 -18.199 -10.079 1.00 50.69 C ATOM 1310 O VAL A 134 18.423 -17.762 -9.192 1.00 54.38 O ATOM 1311 CB VAL A 134 21.165 -17.951 -8.614 1.00 37.54 C ATOM 1312 CG1 VAL A 134 20.988 -19.343 -8.027 1.00 32.94 C ATOM 1313 CG2 VAL A 134 22.621 -17.529 -8.556 1.00 36.70 C ATOM 1314 H VAL A 134 20.892 -15.762 -10.087 1.00 0.00 H ATOM 1315 N GLU A 135 18.708 -18.923 -11.098 1.00 62.48 N ATOM 1316 CA GLU A 135 17.291 -19.230 -11.246 1.00 75.62 C ATOM 1317 C GLU A 135 16.962 -20.615 -10.700 1.00 67.68 C ATOM 1318 O GLU A 135 16.909 -20.816 -9.486 1.00 74.47 O ATOM 1319 CB GLU A 135 16.865 -19.120 -12.714 1.00 75.92 C ATOM 1320 CG GLU A 135 16.973 -17.716 -13.302 1.00 67.35 C ATOM 1321 CD GLU A 135 15.878 -16.780 -12.815 1.00 88.85 C ATOM 1322 OE1 GLU A 135 14.985 -17.235 -12.070 1.00110.52 O ATOM 1323 OE2 GLU A 135 15.908 -15.587 -13.181 1.00 84.39 O ATOM 1324 H GLU A 135 19.382 -19.279 -11.806 1.00 0.00 H TER 1325 GLU A 135 HETATM 1326 O HOH 1 27.536 -5.598 -0.352 1.00 38.80 O HETATM 1327 O HOH 2 23.167 -16.946 -1.761 1.00 39.84 O HETATM 1328 O HOH 3 35.199 -0.931 -3.176 1.00 30.05 O HETATM 1329 O HOH 4 29.018 -16.430 5.043 1.00 32.85 O HETATM 1330 O HOH 5 21.516 6.194 2.505 1.00 40.11 O HETATM 1331 O HOH 6 22.894 6.208 -1.353 1.00 36.20 O HETATM 1332 O HOH 7 28.673 -21.004 4.623 1.00 39.25 O HETATM 1333 O HOH 8 18.416 5.603 -14.943 1.00 39.50 O HETATM 1334 O HOH 9 37.758 11.529 1.655 1.00 48.52 O HETATM 1335 O HOH 10 34.243 8.250 6.658 1.00 51.22 O HETATM 1336 O HOH 11 43.283 12.266 4.380 1.00 42.69 O HETATM 1337 O HOH 12 37.279 11.635 -1.222 1.00 53.54 O HETATM 1338 O HOH 13 25.476 5.665 -15.254 1.00 55.00 O HETATM 1339 O HOH 14 14.637 -9.488 -11.334 1.00 46.50 O HETATM 1340 O HOH 15 22.709 -6.119 -23.914 1.00 45.88 O HETATM 1341 O HOH 16 36.179 6.862 -9.182 1.00 43.20 O HETATM 1342 O HOH 17 27.119 -0.386 -8.151 1.00 34.68 O HETATM 1343 O HOH 18 17.983 -17.982 -6.381 1.00 45.09 O HETATM 1344 O HOH 19 24.663 -0.635 -23.500 1.00 55.90 O HETATM 1345 O HOH 20 28.013 -6.864 -7.140 1.00 46.89 O HETATM 1346 O HOH 21 34.586 -10.628 -2.149 1.00 47.34 O HETATM 1347 O HOH 22 25.208 6.967 8.201 1.00 40.41 O HETATM 1348 C1 EIC A 23 31.733 -7.340 -6.558 1.00 0.03 C HETATM 1349 C2 EIC A 23 33.106 -7.000 -6.085 1.00 0.00 C HETATM 1350 C3 EIC A 23 33.096 -5.686 -5.379 1.00 -0.04 C HETATM 1351 C4 EIC A 23 33.785 -5.837 -4.065 1.00 -0.05 C HETATM 1352 C5 EIC A 23 34.805 -4.760 -3.901 1.00 -0.05 C HETATM 1353 C6 EIC A 23 35.245 -4.709 -2.477 1.00 -0.05 C HETATM 1354 C7 EIC A 23 36.613 -5.288 -2.345 1.00 -0.05 C HETATM 1355 C8 EIC A 23 36.618 -6.302 -1.250 1.00 -0.05 C HETATM 1356 C9 EIC A 23 38.010 -6.785 -1.021 1.00 -0.05 C HETATM 1357 C10 EIC A 23 38.259 -8.105 -0.769 1.00 -0.05 C HETATM 1358 C11 EIC A 23 37.491 -8.852 0.271 1.00 -0.04 C HETATM 1359 C12 EIC A 23 38.449 -9.531 1.192 1.00 -0.10 C HETATM 1360 C13 EIC A 23 38.034 -10.467 2.099 1.00 -0.10 C HETATM 1361 C14 EIC A 23 36.736 -11.188 1.944 1.00 -0.04 C HETATM 1362 C15 EIC A 23 36.985 -12.620 1.600 1.00 -0.05 C HETATM 1363 C16 EIC A 23 37.218 -13.437 2.827 1.00 -0.05 C HETATM 1364 C17 EIC A 23 36.966 -14.869 2.498 1.00 -0.06 C HETATM 1365 C18 EIC A 23 37.565 -15.735 3.551 1.00 -0.07 C HETATM 1366 H EIC A 23 37.378 -16.791 3.307 1.00 0.02 H HETATM 1367 H EIC A 23 37.110 -15.498 4.524 1.00 0.02 H HETATM 1368 H EIC A 23 38.649 -15.556 3.600 1.00 0.02 H HETATM 1369 H EIC A 23 37.421 -15.107 1.525 1.00 0.03 H HETATM 1370 H EIC A 23 35.882 -15.048 2.449 1.00 0.03 H HETATM 1371 H EIC A 23 36.532 -13.113 3.624 1.00 0.03 H HETATM 1372 H EIC A 23 38.257 -13.311 3.164 1.00 0.03 H HETATM 1373 H EIC A 23 37.872 -12.684 0.952 1.00 0.03 H HETATM 1374 H EIC A 23 36.110 -13.018 1.065 1.00 0.03 H HETATM 1375 H EIC A 23 36.151 -10.717 1.140 1.00 0.04 H HETATM 1376 H EIC A 23 36.173 -11.133 2.888 1.00 0.04 H HETATM 1377 H EIC A 23 38.667 -10.692 2.956 1.00 0.04 H HETATM 1378 H EIC A 23 39.506 -9.275 1.141 1.00 0.04 H HETATM 1379 H EIC A 23 36.850 -9.604 -0.213 1.00 0.04 H HETATM 1380 H EIC A 23 36.866 -8.150 0.842 1.00 0.04 H HETATM 1381 H EIC A 23 39.319 -8.173 -0.483 1.00 0.03 H HETATM 1382 H EIC A 23 38.100 -8.639 -1.718 1.00 0.03 H HETATM 1383 H EIC A 23 38.400 -6.222 -0.160 1.00 0.03 H HETATM 1384 H EIC A 23 38.585 -6.523 -1.921 1.00 0.03 H HETATM 1385 H EIC A 23 35.978 -7.151 -1.534 1.00 0.03 H HETATM 1386 H EIC A 23 36.233 -5.845 -0.327 1.00 0.03 H HETATM 1387 H EIC A 23 37.329 -4.487 -2.107 1.00 0.03 H HETATM 1388 H EIC A 23 36.901 -5.769 -3.292 1.00 0.03 H HETATM 1389 H EIC A 23 34.543 -5.287 -1.858 1.00 0.03 H HETATM 1390 H EIC A 23 35.258 -3.663 -2.137 1.00 0.03 H HETATM 1391 H EIC A 23 34.366 -3.792 -4.184 1.00 0.03 H HETATM 1392 H EIC A 23 35.671 -4.973 -4.545 1.00 0.03 H HETATM 1393 H EIC A 23 34.280 -6.818 -4.023 1.00 0.03 H HETATM 1394 H EIC A 23 33.045 -5.765 -3.254 1.00 0.03 H HETATM 1395 H EIC A 23 32.057 -5.362 -5.216 1.00 0.03 H HETATM 1396 H EIC A 23 33.622 -4.936 -5.988 1.00 0.03 H HETATM 1397 H EIC A 23 33.785 -6.943 -6.949 1.00 0.04 H HETATM 1398 H EIC A 23 33.456 -7.781 -5.394 1.00 0.04 H HETATM 1399 O1 EIC A 23 30.735 -6.725 -6.100 1.00 -0.57 O HETATM 1400 O2 EIC A 23 31.575 -8.248 -7.416 1.00 -0.57 O CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1348 1349 1399 1400 CONECT 1349 1348 1350 1397 1398 CONECT 1350 1349 1351 1395 1396 CONECT 1351 1350 1352 1393 1394 CONECT 1352 1351 1353 1391 1392 CONECT 1353 1352 1354 1389 1390 CONECT 1354 1353 1355 1387 1388 CONECT 1355 1354 1356 1385 1386 CONECT 1356 1355 1357 1383 1384 CONECT 1357 1356 1358 1381 1382 CONECT 1358 1357 1359 1379 1380 CONECT 1359 1358 1360 1378 CONECT 1360 1359 1361 1377 CONECT 1361 1360 1362 1375 1376 CONECT 1362 1361 1363 1373 1374 CONECT 1363 1362 1364 1371 1372 CONECT 1364 1363 1365 1369 1370 CONECT 1365 1364 1366 1367 1368 CONECT 1366 1365 CONECT 1367 1365 CONECT 1368 1365 CONECT 1369 1364 CONECT 1370 1364 CONECT 1371 1363 CONECT 1372 1363 CONECT 1373 1362 CONECT 1374 1362 CONECT 1375 1361 CONECT 1376 1361 CONECT 1377 1360 CONECT 1378 1359 CONECT 1379 1358 CONECT 1380 1358 CONECT 1381 1357 CONECT 1382 1357 CONECT 1383 1356 CONECT 1384 1356 CONECT 1385 1355 CONECT 1386 1355 CONECT 1387 1354 CONECT 1388 1354 CONECT 1389 1353 CONECT 1390 1353 CONECT 1391 1352 CONECT 1392 1352 CONECT 1393 1351 CONECT 1394 1351 CONECT 1395 1350 CONECT 1396 1350 CONECT 1397 1349 CONECT 1398 1349 CONECT 1399 1348 CONECT 1400 1348 MASTER 0 0 0 0 0 0 0 0 1399 1 57 11 END
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Related entries of code: 4lkt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1b56
RCSB PDB
PDBbind
135aa, >1B56_1|Chain... at 100%
5hz5
RCSB PDB
PDBbind
134aa, >5HZ5_1|Chain... at 100%
5ur9
RCSB PDB
PDBbind
138aa, >5UR9_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4lkt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Epidermal Fatty Acid Binding Protein (FABP5)
Ligand Name
EIC
EC.Number
E.C.-.-.-.-
Resolution
2.57(Å)
Affinity (Kd/Ki/IC50)
Ki=1.26uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J. Biol. Chem. Vol. 289, 14941-14954
Ligand Properties
Formula
C
1
8
H
3
4
O
2
Molecular Weight
282.461
Exact Mass
282.256
No. of atoms
54
No. of bonds
53
Polar Surface Area
37.3
LOGP Value
8.71 (
Computed with XLOGP3
)
6.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCC/C=C\CCCCCCCCCCC(=O)O
InChI String
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7H,2-5,8-17H2,1H3,(H,19,20)/b7-6-
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):
Q01469
Entrez Gene ID
NCBI Entrez Gene ID:
2171
ASD
Information of known allosteric effects of PDB entries
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