Browse entries in the PDBbind-CN Database
HEADER 3QXT_COMPLEX COMPND 3QXT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 GLN VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 A 124 ALA GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER ARG SEQRES 3 A 124 ARG SER SER ARG SER TRP ALA MET ALA TRP PHE ARG GLN SEQRES 4 A 124 ALA PRO GLY LYS GLU ARG GLU PHE VAL ALA LYS ILE SER SEQRES 5 A 124 GLY ASP GLY ARG LEU THR THR TYR GLY ASP SER VAL LYS SEQRES 6 A 124 GLY ARG PHE THR ILE SER ARG ASP LYS GLY LYS ASN THR SEQRES 7 A 124 VAL TYR LEU GLN MET ASP SER LEU LYS PRO GLU ASP THR SEQRES 8 A 124 ALA VAL TYR TYR CYS ALA ALA ASP ASP ASN TYR VAL THR SEQRES 9 A 124 ALA SER TRP ARG SER GLY PRO ASP TYR TRP GLY GLN GLY SEQRES 10 A 124 THR GLN VAL THR VAL SER SER HET MTX A 249 53 SSBOND 1 CYS A 24 CYS A 98 ATOM 1 N GLN A 3 41.773 -44.114 -18.027 1.00 50.77 N ATOM 2 CA GLN A 3 41.476 -44.426 -16.658 1.00 49.45 C ATOM 3 C GLN A 3 39.987 -44.249 -16.350 1.00 45.44 C ATOM 4 O GLN A 3 39.138 -44.666 -17.082 1.00 45.58 O ATOM 5 CB GLN A 3 42.340 -43.569 -15.729 1.00 51.31 C ATOM 6 CG GLN A 3 41.994 -42.065 -15.611 1.00 57.13 C ATOM 7 CD GLN A 3 41.538 -41.444 -16.926 1.00 65.23 C ATOM 8 OE1 GLN A 3 42.003 -41.831 -17.997 1.00 70.00 O ATOM 9 NE2 GLN A 3 40.629 -40.487 -16.852 1.00 66.75 N ATOM 10 HA GLN A 3 41.713 -45.476 -16.486 1.00 0.00 H ATOM 11 HB2 GLN A 3 42.270 -43.999 -14.730 1.00 0.00 H ATOM 12 HB3 GLN A 3 43.369 -43.640 -16.083 1.00 0.00 H ATOM 13 HG2 GLN A 3 41.195 -41.950 -14.879 1.00 0.00 H ATOM 14 HG3 GLN A 3 42.880 -41.532 -15.266 1.00 0.00 H ATOM 15 HE22 GLN A 3 40.262 -40.189 -15.926 1.00 0.00 H ATOM 16 HE21 GLN A 3 40.281 -40.032 -17.720 1.00 0.00 H ATOM 17 HN3 GLN A 3 41.512 -43.126 -18.221 1.00 0.00 H ATOM 18 HN2 GLN A 3 41.231 -44.745 -18.651 1.00 0.00 H ATOM 19 HN1 GLN A 3 42.790 -44.245 -18.198 1.00 0.00 H ATOM 20 N VAL A 4 39.703 -43.640 -15.233 1.00 40.11 N ATOM 21 CA VAL A 4 38.306 -43.388 -14.735 1.00 35.37 C ATOM 22 C VAL A 4 37.481 -42.622 -15.729 1.00 32.18 C ATOM 23 O VAL A 4 37.900 -41.598 -16.184 1.00 30.84 O ATOM 24 CB VAL A 4 38.233 -42.552 -13.396 1.00 36.01 C ATOM 25 CG1 VAL A 4 36.796 -42.780 -12.736 1.00 35.80 C ATOM 26 CG2 VAL A 4 39.334 -42.992 -12.498 1.00 40.28 C ATOM 27 HA VAL A 4 37.922 -44.394 -14.567 1.00 0.00 H ATOM 28 HB VAL A 4 38.358 -41.485 -13.583 1.00 0.00 H ATOM 29 HG11 VAL A 4 36.023 -42.445 -13.428 1.00 0.00 H ATOM 30 HG12 VAL A 4 36.660 -43.840 -12.522 1.00 0.00 H ATOM 31 HG13 VAL A 4 36.728 -42.209 -11.810 1.00 0.00 H ATOM 32 HG21 VAL A 4 39.220 -44.054 -12.279 1.00 0.00 H ATOM 33 HG22 VAL A 4 40.292 -42.822 -12.989 1.00 0.00 H ATOM 34 HG23 VAL A 4 39.294 -42.422 -11.570 1.00 0.00 H ATOM 35 H VAL A 4 40.495 -43.306 -14.647 1.00 0.00 H ATOM 36 N GLN A 5 36.250 -43.070 -15.992 1.00 30.18 N ATOM 37 CA GLN A 5 35.386 -42.367 -16.944 1.00 29.57 C ATOM 38 C GLN A 5 34.104 -42.018 -16.156 1.00 26.98 C ATOM 39 O GLN A 5 33.623 -42.864 -15.486 1.00 30.40 O ATOM 40 CB GLN A 5 35.079 -43.316 -18.090 1.00 30.22 C ATOM 41 CG GLN A 5 34.140 -42.697 -19.097 1.00 40.03 C ATOM 42 CD GLN A 5 34.723 -41.433 -19.881 1.00 50.21 C ATOM 43 OE1 GLN A 5 35.933 -41.422 -20.344 1.00 52.28 O ATOM 44 NE2 GLN A 5 33.885 -40.372 -19.997 1.00 43.14 N ATOM 45 HA GLN A 5 35.839 -41.467 -17.359 1.00 0.00 H ATOM 46 HB2 GLN A 5 36.011 -43.577 -18.591 1.00 0.00 H ATOM 47 HB3 GLN A 5 34.619 -44.218 -17.687 1.00 0.00 H ATOM 48 HG2 GLN A 5 33.881 -43.460 -19.831 1.00 0.00 H ATOM 49 HG3 GLN A 5 33.240 -42.382 -18.570 1.00 0.00 H ATOM 50 HE22 GLN A 5 32.921 -40.426 -19.610 1.00 0.00 H ATOM 51 HE21 GLN A 5 34.206 -39.505 -20.473 1.00 0.00 H ATOM 52 H GLN A 5 35.901 -43.927 -15.516 1.00 0.00 H ATOM 53 N LEU A 6 33.668 -40.753 -16.154 1.00 24.19 N ATOM 54 CA LEU A 6 32.330 -40.404 -15.533 1.00 20.07 C ATOM 55 C LEU A 6 31.287 -40.461 -16.653 1.00 20.21 C ATOM 56 O LEU A 6 31.568 -40.037 -17.803 1.00 20.84 O ATOM 57 CB LEU A 6 32.419 -38.942 -15.055 1.00 18.99 C ATOM 58 CG LEU A 6 33.397 -38.825 -13.878 1.00 19.92 C ATOM 59 CD1 LEU A 6 33.406 -37.318 -13.483 1.00 19.91 C ATOM 60 CD2 LEU A 6 33.009 -39.613 -12.704 1.00 24.67 C ATOM 61 HA LEU A 6 32.074 -41.076 -14.714 1.00 0.00 H ATOM 62 HB2 LEU A 6 32.767 -38.315 -15.876 1.00 0.00 H ATOM 63 HB3 LEU A 6 31.432 -38.607 -14.737 1.00 0.00 H ATOM 64 HG LEU A 6 34.369 -39.208 -14.190 1.00 0.00 H ATOM 65 HD21 LEU A 6 32.034 -39.278 -12.349 1.00 0.00 H ATOM 66 HD22 LEU A 6 32.956 -40.667 -12.977 1.00 0.00 H ATOM 67 HD23 LEU A 6 33.750 -39.478 -11.916 1.00 0.00 H ATOM 68 HD11 LEU A 6 33.737 -36.723 -14.334 1.00 0.00 H ATOM 69 HD12 LEU A 6 32.400 -37.013 -13.194 1.00 0.00 H ATOM 70 HD13 LEU A 6 34.087 -37.167 -12.646 1.00 0.00 H ATOM 71 H LEU A 6 34.251 -40.005 -16.581 1.00 0.00 H ATOM 72 N VAL A 7 30.121 -41.015 -16.373 1.00 20.30 N ATOM 73 CA VAL A 7 29.085 -41.091 -17.431 1.00 21.20 C ATOM 74 C VAL A 7 27.735 -40.575 -16.876 1.00 19.32 C ATOM 75 O VAL A 7 27.235 -41.132 -15.894 1.00 21.64 O ATOM 76 CB VAL A 7 28.920 -42.590 -17.888 1.00 21.88 C ATOM 77 CG1 VAL A 7 27.730 -42.637 -18.909 1.00 24.69 C ATOM 78 CG2 VAL A 7 30.203 -43.109 -18.576 1.00 28.35 C ATOM 79 HA VAL A 7 29.387 -40.476 -18.279 1.00 0.00 H ATOM 80 HB VAL A 7 28.730 -43.221 -17.020 1.00 0.00 H ATOM 81 HG11 VAL A 7 26.821 -42.282 -18.423 1.00 0.00 H ATOM 82 HG12 VAL A 7 27.960 -41.999 -19.762 1.00 0.00 H ATOM 83 HG13 VAL A 7 27.585 -43.662 -19.249 1.00 0.00 H ATOM 84 HG21 VAL A 7 30.415 -42.499 -19.454 1.00 0.00 H ATOM 85 HG22 VAL A 7 31.038 -43.047 -17.878 1.00 0.00 H ATOM 86 HG23 VAL A 7 30.057 -44.146 -18.879 1.00 0.00 H ATOM 87 H VAL A 7 29.932 -41.393 -15.423 1.00 0.00 H ATOM 88 N GLU A 8 27.172 -39.539 -17.498 1.00 20.59 N ATOM 89 CA GLU A 8 25.914 -38.968 -17.086 1.00 18.50 C ATOM 90 C GLU A 8 24.765 -39.734 -17.778 1.00 21.52 C ATOM 91 O GLU A 8 24.865 -40.127 -18.950 1.00 20.45 O ATOM 92 CB GLU A 8 25.769 -37.487 -17.533 1.00 19.79 C ATOM 93 CG GLU A 8 26.900 -36.537 -17.020 1.00 20.12 C ATOM 94 CD GLU A 8 28.155 -36.503 -17.929 1.00 22.48 C ATOM 95 OE1 GLU A 8 28.315 -37.377 -18.831 1.00 22.30 O ATOM 96 OE2 GLU A 8 28.919 -35.565 -17.714 1.00 20.39 O ATOM 97 HA GLU A 8 25.876 -39.033 -15.999 1.00 0.00 H ATOM 98 HB2 GLU A 8 25.770 -37.459 -18.623 1.00 0.00 H ATOM 99 HB3 GLU A 8 24.815 -37.112 -17.162 1.00 0.00 H ATOM 100 HG2 GLU A 8 26.496 -35.527 -16.955 1.00 0.00 H ATOM 101 HG3 GLU A 8 27.204 -36.870 -16.028 1.00 0.00 H ATOM 102 H GLU A 8 27.662 -39.124 -18.316 1.00 0.00 H ATOM 103 N SER A 9 23.647 -39.863 -17.105 1.00 18.65 N ATOM 104 CA SER A 9 22.450 -40.323 -17.745 1.00 21.91 C ATOM 105 C SER A 9 21.224 -39.621 -17.167 1.00 21.56 C ATOM 106 O SER A 9 21.359 -38.904 -16.239 1.00 19.32 O ATOM 107 CB SER A 9 22.338 -41.818 -17.625 1.00 26.70 C ATOM 108 OG SER A 9 22.071 -42.134 -16.338 1.00 32.88 O ATOM 109 HA SER A 9 22.500 -40.073 -18.805 1.00 0.00 H ATOM 110 HB2 SER A 9 23.277 -42.281 -17.929 1.00 0.00 H ATOM 111 HB3 SER A 9 21.533 -42.178 -18.265 1.00 0.00 H ATOM 112 HG SER A 9 21.219 -41.711 -16.065 1.00 0.00 H ATOM 113 H SER A 9 23.629 -39.628 -16.092 1.00 0.00 H ATOM 114 N GLY A 10 20.054 -39.850 -17.763 1.00 19.86 N ATOM 115 CA GLY A 10 18.792 -39.297 -17.244 1.00 17.50 C ATOM 116 C GLY A 10 18.351 -38.020 -17.925 1.00 18.81 C ATOM 117 O GLY A 10 17.288 -37.459 -17.549 1.00 18.69 O ATOM 118 HA3 GLY A 10 18.919 -39.092 -16.181 1.00 0.00 H ATOM 119 HA2 GLY A 10 18.010 -40.044 -17.378 1.00 0.00 H ATOM 120 H GLY A 10 20.032 -40.437 -18.621 1.00 0.00 H ATOM 121 N GLY A 11 19.115 -37.572 -18.927 1.00 18.13 N ATOM 122 CA GLY A 11 18.716 -36.389 -19.663 1.00 15.96 C ATOM 123 C GLY A 11 17.506 -36.621 -20.587 1.00 18.82 C ATOM 124 O GLY A 11 17.002 -37.776 -20.674 1.00 19.28 O ATOM 125 HA3 GLY A 11 19.558 -36.061 -20.272 1.00 0.00 H ATOM 126 HA2 GLY A 11 18.460 -35.607 -18.948 1.00 0.00 H ATOM 127 H GLY A 11 19.993 -38.071 -19.177 1.00 0.00 H ATOM 128 N GLY A 12 16.913 -35.553 -21.106 1.00 18.09 N ATOM 129 CA GLY A 12 15.722 -35.780 -21.960 1.00 19.43 C ATOM 130 C GLY A 12 15.140 -34.470 -22.388 1.00 18.08 C ATOM 131 O GLY A 12 15.789 -33.416 -22.237 1.00 16.89 O ATOM 132 HA3 GLY A 12 14.975 -36.340 -21.397 1.00 0.00 H ATOM 133 HA2 GLY A 12 16.014 -36.351 -22.842 1.00 0.00 H ATOM 134 H GLY A 12 17.270 -34.594 -20.921 1.00 0.00 H ATOM 135 N LEU A 13 13.923 -34.504 -22.908 1.00 15.57 N ATOM 136 CA LEU A 13 13.230 -33.309 -23.383 1.00 16.20 C ATOM 137 C LEU A 13 11.890 -33.368 -22.679 1.00 18.62 C ATOM 138 O LEU A 13 11.143 -34.383 -22.849 1.00 21.62 O ATOM 139 CB LEU A 13 13.075 -33.522 -24.909 1.00 16.61 C ATOM 140 CG LEU A 13 12.131 -32.549 -25.569 1.00 20.48 C ATOM 141 CD1 LEU A 13 12.373 -30.986 -25.367 1.00 21.11 C ATOM 142 CD2 LEU A 13 12.107 -32.923 -27.154 1.00 25.49 C ATOM 143 HA LEU A 13 13.720 -32.354 -23.195 1.00 0.00 H ATOM 144 HB2 LEU A 13 14.056 -33.416 -25.372 1.00 0.00 H ATOM 145 HB3 LEU A 13 12.701 -34.532 -25.079 1.00 0.00 H ATOM 146 HG LEU A 13 11.177 -32.681 -25.058 1.00 0.00 H ATOM 147 HD21 LEU A 13 13.113 -32.827 -27.564 1.00 0.00 H ATOM 148 HD22 LEU A 13 11.758 -33.948 -27.279 1.00 0.00 H ATOM 149 HD23 LEU A 13 11.434 -32.243 -27.676 1.00 0.00 H ATOM 150 HD11 LEU A 13 12.319 -30.746 -24.305 1.00 0.00 H ATOM 151 HD12 LEU A 13 13.357 -30.719 -25.752 1.00 0.00 H ATOM 152 HD13 LEU A 13 11.607 -30.428 -25.906 1.00 0.00 H ATOM 153 H LEU A 13 13.439 -35.422 -22.982 1.00 0.00 H ATOM 154 N VAL A 14 11.649 -32.363 -21.834 1.00 17.89 N ATOM 155 CA VAL A 14 10.456 -32.403 -20.965 1.00 19.25 C ATOM 156 C VAL A 14 9.759 -31.070 -21.011 1.00 20.80 C ATOM 157 O VAL A 14 10.340 -30.037 -21.345 1.00 19.55 O ATOM 158 CB VAL A 14 10.971 -32.756 -19.530 1.00 19.78 C ATOM 159 CG1 VAL A 14 11.853 -31.607 -19.033 1.00 23.60 C ATOM 160 CG2 VAL A 14 9.848 -32.899 -18.557 1.00 26.36 C ATOM 161 HA VAL A 14 9.727 -33.146 -21.287 1.00 0.00 H ATOM 162 HB VAL A 14 11.513 -33.700 -19.594 1.00 0.00 H ATOM 163 HG11 VAL A 14 12.697 -31.479 -19.711 1.00 0.00 H ATOM 164 HG12 VAL A 14 11.268 -30.688 -19.003 1.00 0.00 H ATOM 165 HG13 VAL A 14 12.220 -31.839 -18.033 1.00 0.00 H ATOM 166 HG21 VAL A 14 9.295 -31.961 -18.502 1.00 0.00 H ATOM 167 HG22 VAL A 14 9.182 -33.696 -18.888 1.00 0.00 H ATOM 168 HG23 VAL A 14 10.250 -33.144 -17.574 1.00 0.00 H ATOM 169 H VAL A 14 12.300 -31.553 -21.788 1.00 0.00 H ATOM 170 N GLN A 15 8.481 -31.094 -20.696 1.00 20.26 N ATOM 171 CA GLN A 15 7.694 -29.907 -20.638 1.00 19.54 C ATOM 172 C GLN A 15 8.022 -29.049 -19.403 1.00 22.09 C ATOM 173 O GLN A 15 8.238 -29.562 -18.376 1.00 21.96 O ATOM 174 CB GLN A 15 6.243 -30.339 -20.611 1.00 21.88 C ATOM 175 CG GLN A 15 5.231 -29.270 -20.530 1.00 26.48 C ATOM 176 CD GLN A 15 3.785 -29.785 -20.643 1.00 32.05 C ATOM 177 OE1 GLN A 15 2.848 -29.010 -20.696 1.00 26.19 O ATOM 178 NE2 GLN A 15 3.631 -31.109 -20.682 1.00 27.90 N ATOM 179 HA GLN A 15 7.909 -29.283 -21.506 1.00 0.00 H ATOM 180 HB2 GLN A 15 6.051 -30.907 -21.522 1.00 0.00 H ATOM 181 HB3 GLN A 15 6.108 -30.987 -19.745 1.00 0.00 H ATOM 182 HG2 GLN A 15 5.342 -28.761 -19.573 1.00 0.00 H ATOM 183 HG3 GLN A 15 5.410 -28.563 -21.340 1.00 0.00 H ATOM 184 HE22 GLN A 15 4.463 -31.731 -20.634 1.00 0.00 H ATOM 185 HE21 GLN A 15 2.679 -31.520 -20.761 1.00 0.00 H ATOM 186 H GLN A 15 8.032 -32.007 -20.483 1.00 0.00 H ATOM 187 N ALA A 16 8.035 -27.747 -19.560 1.00 22.18 N ATOM 188 CA ALA A 16 8.250 -26.835 -18.432 1.00 22.95 C ATOM 189 C ALA A 16 7.356 -27.185 -17.249 1.00 24.72 C ATOM 190 O ALA A 16 6.169 -27.615 -17.424 1.00 23.07 O ATOM 191 CB ALA A 16 8.028 -25.367 -18.903 1.00 25.76 C ATOM 192 HA ALA A 16 9.278 -26.942 -18.086 1.00 0.00 H ATOM 193 HB1 ALA A 16 8.733 -25.132 -19.701 1.00 0.00 H ATOM 194 HB2 ALA A 16 7.009 -25.256 -19.272 1.00 0.00 H ATOM 195 HB3 ALA A 16 8.188 -24.690 -18.064 1.00 0.00 H ATOM 196 H ALA A 16 7.889 -27.351 -20.510 1.00 0.00 H ATOM 197 N GLY A 17 7.927 -27.026 -16.035 1.00 23.22 N ATOM 198 CA GLY A 17 7.259 -27.437 -14.768 1.00 25.68 C ATOM 199 C GLY A 17 7.502 -28.881 -14.411 1.00 24.24 C ATOM 200 O GLY A 17 7.265 -29.272 -13.261 1.00 26.62 O ATOM 201 HA3 GLY A 17 6.185 -27.282 -14.876 1.00 0.00 H ATOM 202 HA2 GLY A 17 7.635 -26.811 -13.959 1.00 0.00 H ATOM 203 H GLY A 17 8.874 -26.598 -15.982 1.00 0.00 H ATOM 204 N GLY A 18 8.031 -29.663 -15.371 1.00 22.49 N ATOM 205 CA GLY A 18 8.282 -31.088 -15.194 1.00 20.48 C ATOM 206 C GLY A 18 9.563 -31.277 -14.331 1.00 18.69 C ATOM 207 O GLY A 18 10.131 -30.247 -13.853 1.00 20.60 O ATOM 208 HA3 GLY A 18 8.425 -31.557 -16.167 1.00 0.00 H ATOM 209 HA2 GLY A 18 7.432 -31.549 -14.691 1.00 0.00 H ATOM 210 H GLY A 18 8.273 -29.229 -16.285 1.00 0.00 H ATOM 211 N SER A 19 10.000 -32.513 -14.151 1.00 19.81 N ATOM 212 CA SER A 19 11.288 -32.801 -13.387 1.00 18.30 C ATOM 213 C SER A 19 12.058 -33.795 -14.231 1.00 20.65 C ATOM 214 O SER A 19 11.472 -34.532 -15.106 1.00 18.25 O ATOM 215 CB SER A 19 10.950 -33.553 -12.033 1.00 19.86 C ATOM 216 OG SER A 19 10.170 -32.651 -11.209 1.00 23.38 O ATOM 217 HA SER A 19 11.828 -31.876 -13.186 1.00 0.00 H ATOM 218 HB2 SER A 19 11.872 -33.823 -11.518 1.00 0.00 H ATOM 219 HB3 SER A 19 10.375 -34.455 -12.243 1.00 0.00 H ATOM 220 HG SER A 19 9.337 -32.408 -11.685 1.00 0.00 H ATOM 221 H SER A 19 9.452 -33.307 -14.540 1.00 0.00 H ATOM 222 N LEU A 20 13.368 -33.871 -13.938 1.00 16.19 N ATOM 223 CA LEU A 20 14.205 -34.955 -14.382 1.00 16.28 C ATOM 224 C LEU A 20 15.138 -35.327 -13.224 1.00 17.83 C ATOM 225 O LEU A 20 15.169 -34.616 -12.200 1.00 20.69 O ATOM 226 CB LEU A 20 15.075 -34.473 -15.530 1.00 15.91 C ATOM 227 CG LEU A 20 14.325 -34.255 -16.868 1.00 17.80 C ATOM 228 CD1 LEU A 20 15.320 -33.390 -17.790 1.00 21.09 C ATOM 229 CD2 LEU A 20 13.968 -35.588 -17.530 1.00 18.94 C ATOM 230 HA LEU A 20 13.592 -35.800 -14.696 1.00 0.00 H ATOM 231 HB2 LEU A 20 15.529 -33.526 -15.237 1.00 0.00 H ATOM 232 HB3 LEU A 20 15.858 -35.213 -15.697 1.00 0.00 H ATOM 233 HG LEU A 20 13.378 -33.738 -16.713 1.00 0.00 H ATOM 234 HD21 LEU A 20 14.881 -36.148 -17.731 1.00 0.00 H ATOM 235 HD22 LEU A 20 13.327 -36.163 -16.862 1.00 0.00 H ATOM 236 HD23 LEU A 20 13.443 -35.398 -18.466 1.00 0.00 H ATOM 237 HD11 LEU A 20 15.537 -32.442 -17.298 1.00 0.00 H ATOM 238 HD12 LEU A 20 16.247 -33.943 -17.941 1.00 0.00 H ATOM 239 HD13 LEU A 20 14.848 -33.201 -18.754 1.00 0.00 H ATOM 240 H LEU A 20 13.795 -33.114 -13.366 1.00 0.00 H ATOM 241 N ARG A 21 15.778 -36.483 -13.327 1.00 15.99 N ATOM 242 CA ARG A 21 16.814 -36.822 -12.324 1.00 15.10 C ATOM 243 C ARG A 21 18.026 -37.313 -13.074 1.00 17.16 C ATOM 244 O ARG A 21 17.987 -38.373 -13.767 1.00 16.69 O ATOM 245 CB ARG A 21 16.292 -37.982 -11.430 1.00 19.43 C ATOM 246 CG ARG A 21 17.356 -38.313 -10.274 1.00 19.68 C ATOM 247 CD ARG A 21 16.655 -39.492 -9.474 1.00 29.39 C ATOM 248 NE ARG A 21 17.430 -40.050 -8.365 1.00 42.31 N ATOM 249 CZ ARG A 21 17.572 -39.490 -7.145 1.00 49.24 C ATOM 250 NH1 ARG A 21 17.028 -38.296 -6.882 1.00 46.71 N ATOM 251 NH2 ARG A 21 18.302 -40.123 -6.173 1.00 49.66 N ATOM 252 HA ARG A 21 17.052 -35.955 -11.707 1.00 0.00 H ATOM 253 HB2 ARG A 21 15.346 -37.689 -10.976 1.00 0.00 H ATOM 254 HB3 ARG A 21 16.139 -38.870 -12.044 1.00 0.00 H ATOM 255 HG2 ARG A 21 18.307 -38.637 -10.697 1.00 0.00 H ATOM 256 HG3 ARG A 21 17.521 -37.447 -9.633 1.00 0.00 H ATOM 257 HD2 ARG A 21 16.447 -40.298 -10.178 1.00 0.00 H ATOM 258 HD3 ARG A 21 15.716 -39.112 -9.070 1.00 0.00 H ATOM 259 HE ARG A 21 17.913 -40.956 -8.531 1.00 0.00 H ATOM 260 HH12 ARG A 21 17.141 -37.869 -5.940 1.00 0.00 H ATOM 261 HH11 ARG A 21 16.493 -37.795 -7.619 1.00 0.00 H ATOM 262 HH22 ARG A 21 18.408 -39.687 -5.235 1.00 0.00 H ATOM 263 HH21 ARG A 21 18.750 -41.040 -6.373 1.00 0.00 H ATOM 264 H ARG A 21 15.556 -37.142 -14.100 1.00 0.00 H ATOM 265 N LEU A 22 19.103 -36.515 -13.035 1.00 14.86 N ATOM 266 CA LEU A 22 20.339 -36.957 -13.700 1.00 15.77 C ATOM 267 C LEU A 22 21.148 -37.809 -12.747 1.00 15.18 C ATOM 268 O LEU A 22 21.050 -37.638 -11.512 1.00 16.19 O ATOM 269 CB LEU A 22 21.250 -35.761 -14.079 1.00 14.82 C ATOM 270 CG LEU A 22 20.420 -34.716 -14.817 1.00 15.23 C ATOM 271 CD1 LEU A 22 21.471 -33.649 -15.304 1.00 17.76 C ATOM 272 CD2 LEU A 22 19.655 -35.252 -16.082 1.00 19.64 C ATOM 273 HA LEU A 22 20.037 -37.501 -14.595 1.00 0.00 H ATOM 274 HB2 LEU A 22 21.671 -35.321 -13.175 1.00 0.00 H ATOM 275 HB3 LEU A 22 22.058 -36.107 -14.723 1.00 0.00 H ATOM 276 HG LEU A 22 19.646 -34.344 -14.145 1.00 0.00 H ATOM 277 HD21 LEU A 22 20.374 -35.646 -16.800 1.00 0.00 H ATOM 278 HD22 LEU A 22 18.968 -36.044 -15.782 1.00 0.00 H ATOM 279 HD23 LEU A 22 19.094 -34.436 -16.538 1.00 0.00 H ATOM 280 HD11 LEU A 22 21.984 -33.226 -14.440 1.00 0.00 H ATOM 281 HD12 LEU A 22 22.197 -34.129 -15.960 1.00 0.00 H ATOM 282 HD13 LEU A 22 20.957 -32.856 -15.848 1.00 0.00 H ATOM 283 H LEU A 22 19.065 -35.599 -12.543 1.00 0.00 H ATOM 284 N SER A 23 21.884 -38.759 -13.326 1.00 16.73 N ATOM 285 CA SER A 23 22.797 -39.598 -12.523 1.00 17.88 C ATOM 286 C SER A 23 24.171 -39.591 -13.145 1.00 19.08 C ATOM 287 O SER A 23 24.296 -39.438 -14.369 1.00 19.40 O ATOM 288 CB SER A 23 22.343 -41.044 -12.490 1.00 19.00 C ATOM 289 OG SER A 23 21.000 -41.201 -12.087 1.00 21.98 O ATOM 290 HA SER A 23 22.804 -39.186 -11.514 1.00 0.00 H ATOM 291 HB2 SER A 23 22.979 -41.590 -11.794 1.00 0.00 H ATOM 292 HB3 SER A 23 22.456 -41.465 -13.489 1.00 0.00 H ATOM 293 HG SER A 23 20.409 -40.718 -12.717 1.00 0.00 H ATOM 294 H SER A 23 21.814 -38.910 -14.353 1.00 0.00 H ATOM 295 N CYS A 24 25.188 -39.704 -12.286 1.00 17.06 N ATOM 296 CA CYS A 24 26.581 -39.733 -12.815 1.00 20.16 C ATOM 297 C CYS A 24 27.181 -40.964 -12.215 1.00 21.19 C ATOM 298 O CYS A 24 27.330 -41.048 -11.019 1.00 21.13 O ATOM 299 CB CYS A 24 27.261 -38.511 -12.289 1.00 20.44 C ATOM 300 SG CYS A 24 29.077 -38.488 -12.677 1.00 27.61 S ATOM 301 HA CYS A 24 26.658 -39.747 -13.902 1.00 0.00 H ATOM 302 HB2 CYS A 24 27.134 -38.478 -11.207 1.00 0.00 H ATOM 303 HB3 CYS A 24 26.796 -37.632 -12.736 1.00 0.00 H ATOM 304 H CYS A 24 25.010 -39.771 -11.263 1.00 0.00 H ATOM 305 N ALA A 25 27.547 -41.918 -13.033 1.00 22.08 N ATOM 306 CA ALA A 25 28.181 -43.138 -12.580 1.00 24.07 C ATOM 307 C ALA A 25 29.659 -43.100 -12.988 1.00 26.19 C ATOM 308 O ALA A 25 30.080 -42.265 -13.822 1.00 28.43 O ATOM 309 CB ALA A 25 27.474 -44.334 -13.303 1.00 25.38 C ATOM 310 HA ALA A 25 28.104 -43.246 -11.498 1.00 0.00 H ATOM 311 HB1 ALA A 25 26.415 -44.337 -13.046 1.00 0.00 H ATOM 312 HB2 ALA A 25 27.588 -44.223 -14.381 1.00 0.00 H ATOM 313 HB3 ALA A 25 27.930 -45.271 -12.983 1.00 0.00 H ATOM 314 H ALA A 25 27.375 -41.794 -14.051 1.00 0.00 H ATOM 315 N ALA A 26 30.508 -43.849 -12.319 1.00 25.07 N ATOM 316 CA ALA A 26 31.926 -43.855 -12.721 1.00 25.13 C ATOM 317 C ALA A 26 32.347 -45.269 -13.056 1.00 27.53 C ATOM 318 O ALA A 26 31.758 -46.226 -12.515 1.00 27.55 O ATOM 319 CB ALA A 26 32.757 -43.414 -11.526 1.00 25.86 C ATOM 320 HA ALA A 26 32.067 -43.198 -13.579 1.00 0.00 H ATOM 321 HB1 ALA A 26 32.455 -42.411 -11.226 1.00 0.00 H ATOM 322 HB2 ALA A 26 32.597 -44.106 -10.699 1.00 0.00 H ATOM 323 HB3 ALA A 26 33.812 -43.411 -11.800 1.00 0.00 H ATOM 324 H ALA A 26 30.184 -44.428 -11.518 1.00 0.00 H ATOM 325 N SER A 27 33.393 -45.400 -13.875 1.00 29.07 N ATOM 326 CA SER A 27 33.866 -46.789 -14.276 1.00 31.80 C ATOM 327 C SER A 27 34.624 -47.512 -13.134 1.00 33.33 C ATOM 328 O SER A 27 34.811 -48.737 -13.172 1.00 33.82 O ATOM 329 CB SER A 27 34.758 -46.688 -15.516 1.00 33.75 C ATOM 330 OG SER A 27 35.841 -45.817 -15.318 1.00 30.35 O ATOM 331 HA SER A 27 32.981 -47.385 -14.498 1.00 0.00 H ATOM 332 HB2 SER A 27 34.160 -46.322 -16.351 1.00 0.00 H ATOM 333 HB3 SER A 27 35.143 -47.680 -15.754 1.00 0.00 H ATOM 334 HG SER A 27 36.389 -45.782 -16.141 1.00 0.00 H ATOM 335 H SER A 27 33.882 -44.557 -14.237 1.00 0.00 H ATOM 336 N ARG A 28 35.066 -46.754 -12.132 1.00 31.57 N ATOM 337 CA ARG A 28 35.770 -47.306 -10.977 1.00 32.32 C ATOM 338 C ARG A 28 35.480 -46.564 -9.730 1.00 30.24 C ATOM 339 O ARG A 28 35.007 -45.416 -9.780 1.00 28.06 O ATOM 340 CB ARG A 28 37.293 -47.288 -11.109 1.00 34.84 C ATOM 341 CG ARG A 28 37.937 -46.487 -12.190 1.00 42.34 C ATOM 342 CD ARG A 28 39.390 -46.952 -12.370 1.00 52.55 C ATOM 343 NE ARG A 28 39.433 -48.041 -13.320 1.00 62.10 N ATOM 344 CZ ARG A 28 40.254 -49.090 -13.247 1.00 66.73 C ATOM 345 NH1 ARG A 28 41.110 -49.226 -12.228 1.00 67.98 N ATOM 346 NH2 ARG A 28 40.195 -50.023 -14.197 1.00 67.05 N ATOM 347 HA ARG A 28 35.404 -48.332 -10.938 1.00 0.00 H ATOM 348 HB2 ARG A 28 37.687 -46.916 -10.163 1.00 0.00 H ATOM 349 HB3 ARG A 28 37.609 -48.321 -11.251 1.00 0.00 H ATOM 350 HG2 ARG A 28 37.391 -46.628 -13.123 1.00 0.00 H ATOM 351 HG3 ARG A 28 37.923 -45.431 -11.919 1.00 0.00 H ATOM 352 HD2 ARG A 28 39.785 -47.289 -11.412 1.00 0.00 H ATOM 353 HD3 ARG A 28 39.994 -46.123 -12.739 1.00 0.00 H ATOM 354 HE ARG A 28 38.773 -48.004 -14.123 1.00 0.00 H ATOM 355 HH12 ARG A 28 41.743 -50.050 -12.187 1.00 0.00 H ATOM 356 HH11 ARG A 28 41.143 -48.508 -11.477 1.00 0.00 H ATOM 357 HH22 ARG A 28 40.828 -50.848 -14.156 1.00 0.00 H ATOM 358 HH21 ARG A 28 39.516 -49.926 -14.979 1.00 0.00 H ATOM 359 H ARG A 28 34.903 -45.728 -12.173 1.00 0.00 H ATOM 360 N ARG A 29 35.786 -47.209 -8.619 1.00 28.91 N ATOM 361 CA ARG A 29 35.607 -46.684 -7.282 1.00 30.07 C ATOM 362 C ARG A 29 36.923 -46.080 -6.795 1.00 28.30 C ATOM 363 O ARG A 29 37.936 -46.535 -7.179 1.00 30.10 O ATOM 364 CB ARG A 29 35.209 -47.805 -6.340 1.00 30.91 C ATOM 365 CG ARG A 29 33.847 -48.313 -6.490 1.00 33.88 C ATOM 366 CD ARG A 29 33.394 -49.133 -5.315 1.00 39.29 C ATOM 367 NE ARG A 29 32.094 -49.693 -5.613 1.00 47.83 N ATOM 368 CZ ARG A 29 30.954 -49.244 -5.127 1.00 45.81 C ATOM 369 NH1 ARG A 29 30.953 -48.269 -4.280 1.00 41.37 N ATOM 370 NH2 ARG A 29 29.823 -49.791 -5.495 1.00 51.05 N ATOM 371 HA ARG A 29 34.827 -45.922 -7.299 1.00 0.00 H ATOM 372 HB2 ARG A 29 35.895 -48.636 -6.501 1.00 0.00 H ATOM 373 HB3 ARG A 29 35.318 -47.438 -5.319 1.00 0.00 H ATOM 374 HG2 ARG A 29 33.171 -47.466 -6.604 1.00 0.00 H ATOM 375 HG3 ARG A 29 33.804 -48.934 -7.385 1.00 0.00 H ATOM 376 HD2 ARG A 29 33.327 -48.500 -4.430 1.00 0.00 H ATOM 377 HD3 ARG A 29 34.107 -49.937 -5.132 1.00 0.00 H ATOM 378 HE ARG A 29 32.056 -50.509 -6.257 1.00 0.00 H ATOM 379 HH12 ARG A 29 30.054 -47.914 -3.896 1.00 0.00 H ATOM 380 HH11 ARG A 29 31.851 -47.838 -3.982 1.00 0.00 H ATOM 381 HH22 ARG A 29 28.924 -49.436 -5.111 1.00 0.00 H ATOM 382 HH21 ARG A 29 29.823 -50.581 -6.172 1.00 0.00 H ATOM 383 H ARG A 29 36.185 -48.165 -8.712 1.00 0.00 H ATOM 384 N SER A 30 36.879 -45.065 -5.953 1.00 25.72 N ATOM 385 CA SER A 30 38.054 -44.590 -5.282 1.00 26.36 C ATOM 386 C SER A 30 37.925 -44.695 -3.797 1.00 28.43 C ATOM 387 O SER A 30 36.827 -44.466 -3.289 1.00 25.99 O ATOM 388 CB SER A 30 38.261 -43.127 -5.638 1.00 25.74 C ATOM 389 OG SER A 30 39.365 -42.546 -4.947 1.00 22.52 O ATOM 390 HA SER A 30 38.896 -45.204 -5.601 1.00 0.00 H ATOM 391 HB2 SER A 30 37.358 -42.574 -5.381 1.00 0.00 H ATOM 392 HB3 SER A 30 38.440 -43.050 -6.710 1.00 0.00 H ATOM 393 HG SER A 30 40.193 -43.036 -5.179 1.00 0.00 H ATOM 394 H SER A 30 35.968 -44.597 -5.771 1.00 0.00 H ATOM 395 N SER A 31 39.038 -44.983 -3.076 1.00 26.83 N ATOM 396 CA SER A 31 39.036 -44.933 -1.610 1.00 28.30 C ATOM 397 C SER A 31 39.161 -43.562 -1.101 1.00 28.28 C ATOM 398 O SER A 31 38.916 -43.334 0.121 1.00 27.93 O ATOM 399 CB SER A 31 40.191 -45.783 -1.062 1.00 30.18 C ATOM 400 OG SER A 31 39.925 -47.115 -1.360 1.00 33.30 O ATOM 401 HA SER A 31 38.078 -45.328 -1.272 1.00 0.00 H ATOM 402 HB2 SER A 31 40.266 -45.653 0.018 1.00 0.00 H ATOM 403 HB3 SER A 31 41.128 -45.479 -1.529 1.00 0.00 H ATOM 404 HG SER A 31 39.855 -47.225 -2.341 1.00 0.00 H ATOM 405 H SER A 31 39.912 -45.245 -3.574 1.00 0.00 H ATOM 406 N ARG A 32 39.548 -42.624 -1.999 1.00 25.50 N ATOM 407 CA ARG A 32 39.698 -41.254 -1.575 1.00 24.74 C ATOM 408 C ARG A 32 38.392 -40.454 -1.567 1.00 24.95 C ATOM 409 O ARG A 32 37.358 -40.921 -2.049 1.00 24.52 O ATOM 410 CB ARG A 32 40.727 -40.555 -2.486 1.00 24.93 C ATOM 411 CG ARG A 32 42.153 -41.156 -2.227 1.00 31.13 C ATOM 412 CD ARG A 32 43.081 -40.607 -3.274 1.00 30.54 C ATOM 413 NE ARG A 32 42.899 -41.242 -4.573 1.00 32.98 N ATOM 414 CZ ARG A 32 43.328 -40.717 -5.730 1.00 36.81 C ATOM 415 NH1 ARG A 32 43.916 -39.507 -5.759 1.00 37.05 N ATOM 416 NH2 ARG A 32 43.124 -41.365 -6.868 1.00 32.85 N ATOM 417 HA ARG A 32 40.038 -41.284 -0.540 1.00 0.00 H ATOM 418 HB2 ARG A 32 40.452 -40.709 -3.529 1.00 0.00 H ATOM 419 HB3 ARG A 32 40.738 -39.487 -2.269 1.00 0.00 H ATOM 420 HG2 ARG A 32 42.502 -40.869 -1.235 1.00 0.00 H ATOM 421 HG3 ARG A 32 42.116 -42.243 -2.297 1.00 0.00 H ATOM 422 HD2 ARG A 32 44.109 -40.766 -2.948 1.00 0.00 H ATOM 423 HD3 ARG A 32 42.896 -39.538 -3.379 1.00 0.00 H ATOM 424 HE ARG A 32 42.407 -42.158 -4.605 1.00 0.00 H ATOM 425 HH12 ARG A 32 44.245 -39.110 -6.662 1.00 0.00 H ATOM 426 HH11 ARG A 32 44.042 -38.969 -4.878 1.00 0.00 H ATOM 427 HH22 ARG A 32 43.457 -40.958 -7.765 1.00 0.00 H ATOM 428 HH21 ARG A 32 42.631 -42.281 -6.864 1.00 0.00 H ATOM 429 H ARG A 32 39.735 -42.890 -2.987 1.00 0.00 H ATOM 430 N SER A 33 38.488 -39.251 -1.001 1.00 26.55 N ATOM 431 CA SER A 33 37.330 -38.336 -0.865 1.00 27.14 C ATOM 432 C SER A 33 37.272 -37.517 -2.146 1.00 23.24 C ATOM 433 O SER A 33 38.268 -36.821 -2.478 1.00 25.02 O ATOM 434 CB SER A 33 37.586 -37.415 0.366 1.00 29.19 C ATOM 435 OG SER A 33 36.616 -36.362 0.453 1.00 32.81 O ATOM 436 HA SER A 33 36.390 -38.866 -0.716 1.00 0.00 H ATOM 437 HB2 SER A 33 38.579 -36.974 0.277 1.00 0.00 H ATOM 438 HB3 SER A 33 37.537 -38.017 1.274 1.00 0.00 H ATOM 439 HG SER A 33 36.811 -35.800 1.244 1.00 0.00 H ATOM 440 H SER A 33 39.413 -38.942 -0.640 1.00 0.00 H ATOM 441 N TRP A 34 36.155 -37.594 -2.924 1.00 20.35 N ATOM 442 CA TRP A 34 36.056 -36.690 -4.109 1.00 18.10 C ATOM 443 C TRP A 34 34.784 -35.867 -4.000 1.00 16.93 C ATOM 444 O TRP A 34 33.690 -36.427 -3.915 1.00 17.11 O ATOM 445 CB TRP A 34 35.875 -37.539 -5.372 1.00 20.12 C ATOM 446 CG TRP A 34 37.170 -38.282 -5.665 1.00 18.66 C ATOM 447 CD1 TRP A 34 37.504 -39.604 -5.346 1.00 20.77 C ATOM 448 CD2 TRP A 34 38.256 -37.752 -6.413 1.00 18.49 C ATOM 449 NE1 TRP A 34 38.818 -39.861 -5.774 1.00 20.99 N ATOM 450 CE2 TRP A 34 39.288 -38.750 -6.431 1.00 19.94 C ATOM 451 CE3 TRP A 34 38.471 -36.534 -7.040 1.00 20.52 C ATOM 452 CZ2 TRP A 34 40.477 -38.567 -7.096 1.00 22.82 C ATOM 453 CZ3 TRP A 34 39.717 -36.334 -7.717 1.00 20.79 C ATOM 454 CH2 TRP A 34 40.683 -37.341 -7.722 1.00 27.87 C ATOM 455 HA TRP A 34 36.951 -36.069 -4.150 1.00 0.00 H ATOM 456 HB2 TRP A 34 35.070 -38.257 -5.217 1.00 0.00 H ATOM 457 HB3 TRP A 34 35.627 -36.893 -6.214 1.00 0.00 H ATOM 458 HE1 TRP A 34 39.346 -40.744 -5.619 1.00 0.00 H ATOM 459 HD1 TRP A 34 36.850 -40.319 -4.846 1.00 0.00 H ATOM 460 HZ2 TRP A 34 41.231 -39.353 -7.132 1.00 0.00 H ATOM 461 HH2 TRP A 34 41.629 -37.162 -8.233 1.00 0.00 H ATOM 462 HZ3 TRP A 34 39.911 -35.392 -8.230 1.00 0.00 H ATOM 463 HE3 TRP A 34 37.713 -35.751 -7.018 1.00 0.00 H ATOM 464 H TRP A 34 35.392 -38.264 -2.698 1.00 0.00 H ATOM 465 N ALA A 35 34.942 -34.557 -4.031 1.00 16.20 N ATOM 466 CA ALA A 35 33.764 -33.682 -4.184 1.00 14.53 C ATOM 467 C ALA A 35 33.224 -33.884 -5.607 1.00 15.34 C ATOM 468 O ALA A 35 34.016 -34.161 -6.539 1.00 16.49 O ATOM 469 CB ALA A 35 34.210 -32.200 -4.041 1.00 15.84 C ATOM 470 HA ALA A 35 33.010 -33.917 -3.433 1.00 0.00 H ATOM 471 HB1 ALA A 35 34.655 -32.049 -3.057 1.00 0.00 H ATOM 472 HB2 ALA A 35 34.944 -31.967 -4.813 1.00 0.00 H ATOM 473 HB3 ALA A 35 33.343 -31.549 -4.153 1.00 0.00 H ATOM 474 H ALA A 35 35.893 -34.143 -3.948 1.00 0.00 H ATOM 475 N MET A 36 31.898 -33.847 -5.757 1.00 15.34 N ATOM 476 CA MET A 36 31.344 -34.017 -7.115 1.00 16.73 C ATOM 477 C MET A 36 30.486 -32.812 -7.478 1.00 17.70 C ATOM 478 O MET A 36 29.953 -32.132 -6.577 1.00 15.24 O ATOM 479 CB MET A 36 30.436 -35.265 -7.142 1.00 14.96 C ATOM 480 CG MET A 36 31.182 -36.598 -6.720 1.00 16.07 C ATOM 481 SD MET A 36 32.465 -37.075 -7.892 1.00 20.53 S ATOM 482 CE MET A 36 31.493 -37.498 -9.365 1.00 19.98 C ATOM 483 HA MET A 36 32.169 -34.121 -7.820 1.00 0.00 H ATOM 484 HB2 MET A 36 29.605 -35.102 -6.456 1.00 0.00 H ATOM 485 HB3 MET A 36 30.051 -35.390 -8.154 1.00 0.00 H ATOM 486 HG2 MET A 36 30.450 -37.403 -6.657 1.00 0.00 H ATOM 487 HG3 MET A 36 31.640 -36.447 -5.742 1.00 0.00 H ATOM 488 HE1 MET A 36 30.809 -38.312 -9.126 1.00 0.00 H ATOM 489 HE2 MET A 36 30.924 -36.626 -9.686 1.00 0.00 H ATOM 490 HE3 MET A 36 32.165 -37.810 -10.165 1.00 0.00 H ATOM 491 H MET A 36 31.272 -33.702 -4.939 1.00 0.00 H ATOM 492 N ALA A 37 30.349 -32.508 -8.797 1.00 14.43 N ATOM 493 CA ALA A 37 29.671 -31.275 -9.167 1.00 14.90 C ATOM 494 C ALA A 37 28.939 -31.511 -10.465 1.00 14.93 C ATOM 495 O ALA A 37 29.283 -32.444 -11.235 1.00 17.99 O ATOM 496 CB ALA A 37 30.727 -30.149 -9.399 1.00 15.21 C ATOM 497 HA ALA A 37 28.982 -30.979 -8.376 1.00 0.00 H ATOM 498 HB1 ALA A 37 31.295 -29.991 -8.482 1.00 0.00 H ATOM 499 HB2 ALA A 37 31.404 -30.447 -10.200 1.00 0.00 H ATOM 500 HB3 ALA A 37 30.217 -29.226 -9.676 1.00 0.00 H ATOM 501 H ALA A 37 30.723 -33.146 -9.528 1.00 0.00 H ATOM 502 N TRP A 38 27.900 -30.723 -10.664 1.00 14.50 N ATOM 503 CA TRP A 38 27.275 -30.667 -11.977 1.00 13.11 C ATOM 504 C TRP A 38 27.521 -29.220 -12.502 1.00 15.50 C ATOM 505 O TRP A 38 27.407 -28.232 -11.768 1.00 16.77 O ATOM 506 CB TRP A 38 25.730 -30.855 -11.775 1.00 14.76 C ATOM 507 CG TRP A 38 25.452 -32.307 -11.410 1.00 14.54 C ATOM 508 CD1 TRP A 38 25.279 -32.818 -10.133 1.00 17.58 C ATOM 509 CD2 TRP A 38 25.267 -33.389 -12.318 1.00 14.87 C ATOM 510 NE1 TRP A 38 25.031 -34.149 -10.229 1.00 16.77 N ATOM 511 CE2 TRP A 38 24.988 -34.534 -11.553 1.00 16.31 C ATOM 512 CE3 TRP A 38 25.320 -33.490 -13.745 1.00 14.75 C ATOM 513 CZ2 TRP A 38 24.765 -35.819 -12.159 1.00 17.81 C ATOM 514 CZ3 TRP A 38 25.032 -34.740 -14.326 1.00 18.77 C ATOM 515 CH2 TRP A 38 24.803 -35.867 -13.541 1.00 16.71 C ATOM 516 HA TRP A 38 27.665 -31.423 -12.659 1.00 0.00 H ATOM 517 HB2 TRP A 38 25.384 -30.203 -10.973 1.00 0.00 H ATOM 518 HB3 TRP A 38 25.207 -30.603 -12.697 1.00 0.00 H ATOM 519 HE1 TRP A 38 24.893 -34.788 -9.420 1.00 0.00 H ATOM 520 HD1 TRP A 38 25.333 -32.246 -9.207 1.00 0.00 H ATOM 521 HZ2 TRP A 38 24.576 -36.710 -11.560 1.00 0.00 H ATOM 522 HH2 TRP A 38 24.647 -36.826 -14.035 1.00 0.00 H ATOM 523 HZ3 TRP A 38 24.987 -34.827 -15.412 1.00 0.00 H ATOM 524 HE3 TRP A 38 25.575 -32.628 -14.361 1.00 0.00 H ATOM 525 H TRP A 38 27.528 -30.143 -9.885 1.00 0.00 H ATOM 526 N PHE A 39 27.740 -29.141 -13.831 1.00 15.21 N ATOM 527 CA PHE A 39 27.891 -27.899 -14.556 1.00 14.96 C ATOM 528 C PHE A 39 26.951 -27.998 -15.767 1.00 16.03 C ATOM 529 O PHE A 39 26.462 -29.101 -16.080 1.00 17.84 O ATOM 530 CB PHE A 39 29.289 -27.761 -15.131 1.00 15.77 C ATOM 531 CG PHE A 39 30.329 -27.340 -14.091 1.00 16.73 C ATOM 532 CD1 PHE A 39 30.857 -26.026 -14.159 1.00 18.22 C ATOM 533 CD2 PHE A 39 30.773 -28.285 -13.151 1.00 16.41 C ATOM 534 CE1 PHE A 39 31.851 -25.616 -13.187 1.00 19.97 C ATOM 535 CE2 PHE A 39 31.806 -27.859 -12.204 1.00 19.41 C ATOM 536 CZ PHE A 39 32.281 -26.542 -12.273 1.00 20.76 C ATOM 537 HA PHE A 39 27.685 -27.063 -13.887 1.00 0.00 H ATOM 538 HB2 PHE A 39 29.588 -28.721 -15.551 1.00 0.00 H ATOM 539 HB3 PHE A 39 29.266 -27.011 -15.922 1.00 0.00 H ATOM 540 HD2 PHE A 39 30.365 -29.295 -13.127 1.00 0.00 H ATOM 541 HE2 PHE A 39 32.198 -28.553 -11.460 1.00 0.00 H ATOM 542 HZ PHE A 39 33.041 -26.235 -11.554 1.00 0.00 H ATOM 543 HE1 PHE A 39 32.245 -24.600 -13.183 1.00 0.00 H ATOM 544 HD1 PHE A 39 30.520 -25.334 -14.931 1.00 0.00 H ATOM 545 H PHE A 39 27.804 -30.029 -14.368 1.00 0.00 H ATOM 546 N ARG A 40 26.674 -26.863 -16.383 1.00 17.10 N ATOM 547 CA ARG A 40 25.825 -26.940 -17.628 1.00 17.46 C ATOM 548 C ARG A 40 26.349 -25.960 -18.667 1.00 18.66 C ATOM 549 O ARG A 40 26.928 -24.945 -18.302 1.00 19.65 O ATOM 550 CB ARG A 40 24.367 -26.709 -17.284 1.00 16.99 C ATOM 551 CG ARG A 40 24.047 -25.321 -16.844 1.00 17.84 C ATOM 552 CD ARG A 40 22.551 -25.224 -16.325 1.00 16.78 C ATOM 553 NE ARG A 40 22.244 -23.876 -15.808 1.00 20.28 N ATOM 554 CZ ARG A 40 21.048 -23.567 -15.339 1.00 24.28 C ATOM 555 NH1 ARG A 40 20.090 -24.555 -15.297 1.00 18.74 N ATOM 556 NH2 ARG A 40 20.802 -22.310 -14.968 1.00 24.40 N ATOM 557 HA ARG A 40 25.890 -27.938 -18.062 1.00 0.00 H ATOM 558 HB2 ARG A 40 23.769 -26.933 -18.168 1.00 0.00 H ATOM 559 HB3 ARG A 40 24.094 -27.393 -16.480 1.00 0.00 H ATOM 560 HG2 ARG A 40 24.724 -25.036 -16.039 1.00 0.00 H ATOM 561 HG3 ARG A 40 24.178 -24.640 -17.685 1.00 0.00 H ATOM 562 HD2 ARG A 40 22.405 -25.952 -15.527 1.00 0.00 H ATOM 563 HD3 ARG A 40 21.875 -25.450 -17.149 1.00 0.00 H ATOM 564 HE ARG A 40 22.989 -23.150 -15.813 1.00 0.00 H ATOM 565 HH12 ARG A 40 19.139 -24.342 -14.933 1.00 0.00 H ATOM 566 HH11 ARG A 40 20.317 -25.514 -15.629 1.00 0.00 H ATOM 567 HH22 ARG A 40 19.866 -22.051 -14.597 1.00 0.00 H ATOM 568 HH21 ARG A 40 21.547 -21.589 -15.050 1.00 0.00 H ATOM 569 H ARG A 40 27.027 -25.953 -16.024 1.00 0.00 H ATOM 570 N GLN A 41 26.114 -26.248 -19.945 1.00 16.47 N ATOM 571 CA GLN A 41 26.637 -25.332 -20.950 1.00 17.39 C ATOM 572 C GLN A 41 25.544 -25.180 -22.029 1.00 19.13 C ATOM 573 O GLN A 41 24.968 -26.191 -22.500 1.00 18.01 O ATOM 574 CB GLN A 41 27.870 -26.031 -21.540 1.00 19.12 C ATOM 575 CG GLN A 41 28.621 -25.081 -22.563 1.00 19.40 C ATOM 576 CD GLN A 41 29.903 -25.711 -23.084 1.00 23.84 C ATOM 577 OE1 GLN A 41 30.553 -26.450 -22.377 1.00 24.30 O ATOM 578 NE2 GLN A 41 30.272 -25.390 -24.312 1.00 22.45 N ATOM 579 HA GLN A 41 26.900 -24.350 -20.558 1.00 0.00 H ATOM 580 HB2 GLN A 41 28.552 -26.296 -20.732 1.00 0.00 H ATOM 581 HB3 GLN A 41 27.554 -26.936 -22.059 1.00 0.00 H ATOM 582 HG2 GLN A 41 27.960 -24.877 -23.406 1.00 0.00 H ATOM 583 HG3 GLN A 41 28.866 -24.145 -22.061 1.00 0.00 H ATOM 584 HE22 GLN A 41 29.682 -24.751 -24.882 1.00 0.00 H ATOM 585 HE21 GLN A 41 31.153 -25.776 -24.708 1.00 0.00 H ATOM 586 H GLN A 41 25.577 -27.096 -20.216 1.00 0.00 H ATOM 587 N ALA A 42 25.344 -23.950 -22.494 1.00 19.70 N ATOM 588 CA ALA A 42 24.370 -23.783 -23.595 1.00 21.37 C ATOM 589 C ALA A 42 25.085 -23.059 -24.686 1.00 24.90 C ATOM 590 O ALA A 42 26.207 -22.563 -24.462 1.00 27.76 O ATOM 591 CB ALA A 42 23.225 -23.044 -23.113 1.00 25.38 C ATOM 592 HA ALA A 42 23.997 -24.737 -23.969 1.00 0.00 H ATOM 593 HB1 ALA A 42 22.759 -23.592 -22.293 1.00 0.00 H ATOM 594 HB2 ALA A 42 23.549 -22.065 -22.760 1.00 0.00 H ATOM 595 HB3 ALA A 42 22.507 -22.920 -23.923 1.00 0.00 H ATOM 596 H ALA A 42 25.854 -23.135 -22.098 1.00 0.00 H ATOM 597 N PRO A 43 24.481 -22.997 -25.875 1.00 25.30 N ATOM 598 CA PRO A 43 25.170 -22.279 -26.942 1.00 31.87 C ATOM 599 C PRO A 43 25.233 -20.808 -26.528 1.00 34.22 C ATOM 600 O PRO A 43 24.288 -20.156 -25.796 1.00 34.23 O ATOM 601 CB PRO A 43 24.265 -22.514 -28.180 1.00 31.30 C ATOM 602 CG PRO A 43 23.293 -23.491 -27.825 1.00 26.17 C ATOM 603 CD PRO A 43 23.199 -23.549 -26.258 1.00 25.82 C ATOM 604 HA PRO A 43 26.191 -22.599 -27.147 1.00 0.00 H ATOM 605 HD3 PRO A 43 22.375 -22.941 -25.885 1.00 0.00 H ATOM 606 HD2 PRO A 43 23.083 -24.573 -25.903 1.00 0.00 H ATOM 607 HG3 PRO A 43 23.591 -24.465 -28.213 1.00 0.00 H ATOM 608 HG2 PRO A 43 22.324 -23.216 -28.242 1.00 0.00 H ATOM 609 HB2 PRO A 43 23.771 -21.584 -28.462 1.00 0.00 H ATOM 610 HB3 PRO A 43 24.865 -22.873 -29.016 1.00 0.00 H ATOM 611 N GLY A 44 26.357 -20.230 -26.874 1.00 38.81 N ATOM 612 CA GLY A 44 26.556 -18.791 -26.639 1.00 42.84 C ATOM 613 C GLY A 44 27.107 -18.530 -25.260 1.00 44.43 C ATOM 614 O GLY A 44 27.355 -17.365 -24.899 1.00 45.66 O ATOM 615 HA3 GLY A 44 25.599 -18.279 -26.742 1.00 0.00 H ATOM 616 HA2 GLY A 44 27.255 -18.404 -27.380 1.00 0.00 H ATOM 617 H GLY A 44 27.112 -20.791 -27.317 1.00 0.00 H ATOM 618 N LYS A 45 27.360 -19.613 -24.518 1.00 43.46 N ATOM 619 CA LYS A 45 27.842 -19.529 -23.184 1.00 44.47 C ATOM 620 C LYS A 45 29.063 -20.408 -22.829 1.00 43.10 C ATOM 621 O LYS A 45 29.454 -21.426 -23.578 1.00 39.30 O ATOM 622 CB LYS A 45 26.700 -19.735 -22.153 1.00 47.00 C ATOM 623 CG LYS A 45 25.583 -18.697 -22.257 1.00 52.11 C ATOM 624 CD LYS A 45 24.675 -18.892 -21.010 1.00 57.70 C ATOM 625 CE LYS A 45 24.118 -17.559 -20.431 1.00 64.00 C ATOM 626 NZ LYS A 45 23.113 -16.887 -21.307 1.00 64.59 N ATOM 627 HA LYS A 45 28.224 -18.510 -23.124 1.00 0.00 H ATOM 628 HB2 LYS A 45 26.268 -20.723 -22.311 1.00 0.00 H ATOM 629 HB3 LYS A 45 27.127 -19.682 -21.151 1.00 0.00 H ATOM 630 HG2 LYS A 45 26.003 -17.691 -22.262 1.00 0.00 H ATOM 631 HG3 LYS A 45 25.008 -18.854 -23.169 1.00 0.00 H ATOM 632 HD2 LYS A 45 23.833 -19.524 -21.292 1.00 0.00 H ATOM 633 HD3 LYS A 45 25.257 -19.389 -20.234 1.00 0.00 H ATOM 634 HE2 LYS A 45 24.953 -16.875 -20.281 1.00 0.00 H ATOM 635 HE3 LYS A 45 23.648 -17.772 -19.471 1.00 0.00 H ATOM 636 HZ1 LYS A 45 23.549 -16.665 -22.225 1.00 0.00 H ATOM 637 HZ2 LYS A 45 22.302 -17.521 -21.452 1.00 0.00 H ATOM 638 HZ3 LYS A 45 22.791 -16.009 -20.853 1.00 0.00 H ATOM 639 H LYS A 45 27.198 -20.553 -24.933 1.00 0.00 H ATOM 640 N GLU A 46 29.653 -19.926 -21.710 1.00 39.89 N ATOM 641 CA GLU A 46 30.672 -20.641 -20.961 1.00 37.61 C ATOM 642 C GLU A 46 29.906 -21.673 -20.146 1.00 32.37 C ATOM 643 O GLU A 46 28.885 -21.362 -19.585 1.00 35.67 O ATOM 644 CB GLU A 46 31.456 -19.692 -19.994 1.00 39.24 C ATOM 645 CG GLU A 46 32.339 -18.631 -20.699 1.00 42.68 C ATOM 646 CD GLU A 46 33.318 -17.880 -19.702 1.00 49.95 C ATOM 647 OE1 GLU A 46 32.822 -17.096 -18.829 1.00 52.39 O ATOM 648 OE2 GLU A 46 34.567 -18.062 -19.766 1.00 42.43 O ATOM 649 HA GLU A 46 31.411 -21.082 -21.630 1.00 0.00 H ATOM 650 HB2 GLU A 46 30.731 -19.170 -19.370 1.00 0.00 H ATOM 651 HB3 GLU A 46 32.100 -20.306 -19.365 1.00 0.00 H ATOM 652 HG2 GLU A 46 32.936 -19.128 -21.464 1.00 0.00 H ATOM 653 HG3 GLU A 46 31.688 -17.894 -21.169 1.00 0.00 H ATOM 654 H GLU A 46 29.360 -18.989 -21.366 1.00 0.00 H ATOM 655 N ARG A 47 30.476 -22.829 -20.015 1.00 31.85 N ATOM 656 CA ARG A 47 30.013 -23.793 -19.006 1.00 27.59 C ATOM 657 C ARG A 47 29.893 -23.161 -17.625 1.00 29.07 C ATOM 658 O ARG A 47 30.769 -22.342 -17.169 1.00 27.66 O ATOM 659 CB ARG A 47 30.975 -24.909 -18.985 1.00 27.22 C ATOM 660 CG ARG A 47 30.494 -26.098 -18.228 1.00 26.43 C ATOM 661 CD ARG A 47 31.443 -27.183 -18.388 1.00 26.47 C ATOM 662 NE ARG A 47 31.646 -27.529 -19.847 1.00 27.15 N ATOM 663 CZ ARG A 47 32.371 -28.586 -20.279 1.00 30.32 C ATOM 664 NH1 ARG A 47 32.962 -29.418 -19.422 1.00 29.80 N ATOM 665 NH2 ARG A 47 32.486 -28.852 -21.584 1.00 28.86 N ATOM 666 HA ARG A 47 29.015 -24.144 -19.269 1.00 0.00 H ATOM 667 HB2 ARG A 47 31.174 -25.212 -20.013 1.00 0.00 H ATOM 668 HB3 ARG A 47 31.899 -24.559 -18.526 1.00 0.00 H ATOM 669 HG2 ARG A 47 30.404 -25.845 -17.172 1.00 0.00 H ATOM 670 HG3 ARG A 47 29.521 -26.405 -18.611 1.00 0.00 H ATOM 671 HD2 ARG A 47 31.069 -28.062 -17.864 1.00 0.00 H ATOM 672 HD3 ARG A 47 32.399 -26.885 -17.958 1.00 0.00 H ATOM 673 HE ARG A 47 31.201 -26.917 -20.561 1.00 0.00 H ATOM 674 HH12 ARG A 47 33.515 -30.224 -19.777 1.00 0.00 H ATOM 675 HH11 ARG A 47 32.871 -29.261 -18.398 1.00 0.00 H ATOM 676 HH22 ARG A 47 33.047 -29.668 -21.901 1.00 0.00 H ATOM 677 HH21 ARG A 47 32.015 -28.243 -22.282 1.00 0.00 H ATOM 678 H ARG A 47 31.274 -23.079 -20.633 1.00 0.00 H ATOM 679 N GLU A 48 28.780 -23.407 -16.961 1.00 23.92 N ATOM 680 CA GLU A 48 28.534 -22.745 -15.702 1.00 25.92 C ATOM 681 C GLU A 48 28.262 -23.716 -14.585 1.00 23.22 C ATOM 682 O GLU A 48 27.602 -24.751 -14.792 1.00 20.38 O ATOM 683 CB GLU A 48 27.375 -21.730 -15.810 1.00 27.81 C ATOM 684 CG GLU A 48 25.984 -22.266 -15.689 1.00 35.28 C ATOM 685 CD GLU A 48 24.763 -21.219 -15.681 1.00 47.37 C ATOM 686 OE1 GLU A 48 24.928 -19.972 -15.640 1.00 49.48 O ATOM 687 OE2 GLU A 48 23.607 -21.668 -15.823 1.00 41.00 O ATOM 688 HA GLU A 48 29.451 -22.207 -15.461 1.00 0.00 H ATOM 689 HB2 GLU A 48 27.512 -20.991 -15.021 1.00 0.00 H ATOM 690 HB3 GLU A 48 27.455 -21.242 -16.781 1.00 0.00 H ATOM 691 HG2 GLU A 48 25.824 -22.943 -16.528 1.00 0.00 H ATOM 692 HG3 GLU A 48 25.934 -22.828 -14.756 1.00 0.00 H ATOM 693 H GLU A 48 28.082 -24.076 -17.344 1.00 0.00 H ATOM 694 N PHE A 49 28.693 -23.373 -13.389 1.00 19.50 N ATOM 695 CA PHE A 49 28.423 -24.230 -12.242 1.00 20.25 C ATOM 696 C PHE A 49 26.939 -24.335 -11.867 1.00 18.11 C ATOM 697 O PHE A 49 26.199 -23.301 -11.873 1.00 19.94 O ATOM 698 CB PHE A 49 29.157 -23.499 -11.053 1.00 18.83 C ATOM 699 CG PHE A 49 28.799 -24.056 -9.709 1.00 16.68 C ATOM 700 CD1 PHE A 49 29.112 -25.407 -9.377 1.00 17.65 C ATOM 701 CD2 PHE A 49 28.049 -23.280 -8.820 1.00 22.85 C ATOM 702 CE1 PHE A 49 28.731 -25.930 -8.104 1.00 18.24 C ATOM 703 CE2 PHE A 49 27.652 -23.822 -7.522 1.00 22.86 C ATOM 704 CZ PHE A 49 28.009 -25.170 -7.185 1.00 20.41 C ATOM 705 HA PHE A 49 28.750 -25.247 -12.460 1.00 0.00 H ATOM 706 HB2 PHE A 49 30.233 -23.600 -11.195 1.00 0.00 H ATOM 707 HB3 PHE A 49 28.886 -22.443 -11.075 1.00 0.00 H ATOM 708 HD2 PHE A 49 27.759 -22.266 -9.096 1.00 0.00 H ATOM 709 HE2 PHE A 49 27.091 -23.208 -6.817 1.00 0.00 H ATOM 710 HZ PHE A 49 27.720 -25.594 -6.224 1.00 0.00 H ATOM 711 HE1 PHE A 49 29.012 -26.951 -7.844 1.00 0.00 H ATOM 712 HD1 PHE A 49 29.640 -26.038 -10.092 1.00 0.00 H ATOM 713 H PHE A 49 29.227 -22.489 -13.263 1.00 0.00 H ATOM 714 N VAL A 50 26.465 -25.536 -11.525 1.00 15.65 N ATOM 715 CA VAL A 50 25.051 -25.735 -11.119 1.00 15.87 C ATOM 716 C VAL A 50 24.987 -26.199 -9.659 1.00 16.68 C ATOM 717 O VAL A 50 24.167 -25.681 -8.912 1.00 18.47 O ATOM 718 CB VAL A 50 24.428 -26.864 -12.016 1.00 17.59 C ATOM 719 CG1 VAL A 50 22.969 -27.174 -11.547 1.00 17.76 C ATOM 720 CG2 VAL A 50 24.459 -26.310 -13.491 1.00 16.63 C ATOM 721 HA VAL A 50 24.508 -24.797 -11.233 1.00 0.00 H ATOM 722 HB VAL A 50 24.983 -27.800 -11.946 1.00 0.00 H ATOM 723 HG11 VAL A 50 22.985 -27.507 -10.509 1.00 0.00 H ATOM 724 HG12 VAL A 50 22.362 -26.272 -11.631 1.00 0.00 H ATOM 725 HG13 VAL A 50 22.546 -27.958 -12.175 1.00 0.00 H ATOM 726 HG21 VAL A 50 23.872 -25.393 -13.546 1.00 0.00 H ATOM 727 HG22 VAL A 50 25.490 -26.101 -13.778 1.00 0.00 H ATOM 728 HG23 VAL A 50 24.036 -27.054 -14.166 1.00 0.00 H ATOM 729 H VAL A 50 27.105 -26.355 -11.544 1.00 0.00 H ATOM 730 N ALA A 51 25.737 -27.270 -9.309 1.00 15.14 N ATOM 731 CA ALA A 51 25.677 -27.741 -7.910 1.00 15.76 C ATOM 732 C ALA A 51 26.856 -28.571 -7.552 1.00 15.97 C ATOM 733 O ALA A 51 27.527 -29.141 -8.411 1.00 16.62 O ATOM 734 CB ALA A 51 24.364 -28.578 -7.694 1.00 17.38 C ATOM 735 HA ALA A 51 25.678 -26.863 -7.264 1.00 0.00 H ATOM 736 HB1 ALA A 51 23.497 -27.952 -7.905 1.00 0.00 H ATOM 737 HB2 ALA A 51 24.367 -29.436 -8.367 1.00 0.00 H ATOM 738 HB3 ALA A 51 24.321 -28.925 -6.661 1.00 0.00 H ATOM 739 H ALA A 51 26.340 -27.749 -10.007 1.00 0.00 H ATOM 740 N LYS A 52 27.194 -28.603 -6.248 1.00 16.44 N ATOM 741 CA LYS A 52 28.320 -29.470 -5.860 1.00 16.21 C ATOM 742 C LYS A 52 28.048 -30.048 -4.470 1.00 15.64 C ATOM 743 O LYS A 52 27.234 -29.485 -3.687 1.00 15.32 O ATOM 744 CB LYS A 52 29.723 -28.730 -5.889 1.00 15.45 C ATOM 745 CG LYS A 52 29.717 -27.489 -4.894 1.00 16.58 C ATOM 746 CD LYS A 52 31.156 -26.805 -4.920 1.00 14.51 C ATOM 747 CE LYS A 52 31.106 -25.568 -4.025 1.00 17.38 C ATOM 748 NZ LYS A 52 32.522 -24.938 -4.114 1.00 18.09 N ATOM 749 HA LYS A 52 28.388 -30.268 -6.599 1.00 0.00 H ATOM 750 HB2 LYS A 52 30.504 -29.428 -5.588 1.00 0.00 H ATOM 751 HB3 LYS A 52 29.923 -28.378 -6.901 1.00 0.00 H ATOM 752 HG2 LYS A 52 28.963 -26.769 -5.210 1.00 0.00 H ATOM 753 HG3 LYS A 52 29.491 -27.830 -3.884 1.00 0.00 H ATOM 754 HD2 LYS A 52 31.905 -27.503 -4.546 1.00 0.00 H ATOM 755 HD3 LYS A 52 31.410 -26.515 -5.939 1.00 0.00 H ATOM 756 HE2 LYS A 52 30.877 -25.849 -2.997 1.00 0.00 H ATOM 757 HE3 LYS A 52 30.353 -24.867 -4.385 1.00 0.00 H ATOM 758 HZ1 LYS A 52 33.227 -25.624 -3.777 1.00 0.00 H ATOM 759 HZ2 LYS A 52 32.726 -24.686 -5.102 1.00 0.00 H ATOM 760 HZ3 LYS A 52 32.558 -24.083 -3.522 1.00 0.00 H ATOM 761 H LYS A 52 26.680 -28.037 -5.543 1.00 0.00 H ATOM 762 N ILE A 53 28.758 -31.153 -4.165 1.00 13.80 N ATOM 763 CA ILE A 53 28.572 -31.817 -2.898 1.00 14.76 C ATOM 764 C ILE A 53 29.946 -32.257 -2.414 1.00 14.42 C ATOM 765 O ILE A 53 30.805 -32.700 -3.218 1.00 15.21 O ATOM 766 CB ILE A 53 27.598 -33.030 -3.058 1.00 14.39 C ATOM 767 CG1 ILE A 53 27.420 -33.725 -1.677 1.00 16.23 C ATOM 768 CG2 ILE A 53 28.107 -34.088 -4.172 1.00 17.59 C ATOM 769 CD1 ILE A 53 26.081 -34.572 -1.719 1.00 19.99 C ATOM 770 HA ILE A 53 28.120 -31.149 -2.165 1.00 0.00 H ATOM 771 HB ILE A 53 26.638 -32.651 -3.410 1.00 0.00 H ATOM 772 HG12 ILE A 53 28.267 -34.383 -1.482 1.00 0.00 H ATOM 773 HG13 ILE A 53 27.357 -32.973 -0.890 1.00 0.00 H ATOM 774 HD11 ILE A 53 25.239 -33.909 -1.917 1.00 0.00 H ATOM 775 HD12 ILE A 53 26.150 -35.319 -2.509 1.00 0.00 H ATOM 776 HD13 ILE A 53 25.936 -35.068 -0.759 1.00 0.00 H ATOM 777 HG21 ILE A 53 28.184 -33.588 -5.138 1.00 0.00 H ATOM 778 HG22 ILE A 53 29.084 -34.476 -3.883 1.00 0.00 H ATOM 779 HG23 ILE A 53 27.395 -34.910 -4.243 1.00 0.00 H ATOM 780 H ILE A 53 29.445 -31.530 -4.849 1.00 0.00 H ATOM 781 N SER A 54 30.211 -32.086 -1.110 1.00 15.07 N ATOM 782 CA SER A 54 31.513 -32.492 -0.635 1.00 15.11 C ATOM 783 C SER A 54 31.693 -34.001 -0.641 1.00 17.95 C ATOM 784 O SER A 54 30.754 -34.775 -0.736 1.00 18.00 O ATOM 785 CB SER A 54 31.683 -31.983 0.816 1.00 16.51 C ATOM 786 OG SER A 54 30.611 -32.529 1.651 1.00 18.42 O ATOM 787 HA SER A 54 32.260 -32.067 -1.306 1.00 0.00 H ATOM 788 HB2 SER A 54 31.635 -30.894 0.828 1.00 0.00 H ATOM 789 HB3 SER A 54 32.648 -32.307 1.205 1.00 0.00 H ATOM 790 HG SER A 54 30.656 -33.518 1.639 1.00 0.00 H ATOM 791 H SER A 54 29.505 -31.676 -0.465 1.00 0.00 H ATOM 792 N GLY A 55 32.935 -34.372 -0.508 1.00 18.45 N ATOM 793 CA GLY A 55 33.309 -35.830 -0.555 1.00 20.32 C ATOM 794 C GLY A 55 32.507 -36.654 0.442 1.00 21.92 C ATOM 795 O GLY A 55 32.068 -37.789 0.154 1.00 22.19 O ATOM 796 HA3 GLY A 55 34.369 -35.930 -0.323 1.00 0.00 H ATOM 797 HA2 GLY A 55 33.121 -36.210 -1.559 1.00 0.00 H ATOM 798 H GLY A 55 33.675 -33.655 -0.368 1.00 0.00 H ATOM 799 N ASP A 56 32.251 -36.077 1.617 1.00 20.89 N ATOM 800 CA ASP A 56 31.482 -36.786 2.628 1.00 22.59 C ATOM 801 C ASP A 56 29.955 -36.584 2.596 1.00 23.97 C ATOM 802 O ASP A 56 29.152 -37.064 3.507 1.00 23.97 O ATOM 803 CB ASP A 56 32.151 -36.455 4.009 1.00 24.33 C ATOM 804 CG ASP A 56 31.877 -35.000 4.465 1.00 27.93 C ATOM 805 OD1 ASP A 56 31.275 -34.243 3.713 1.00 22.59 O ATOM 806 OD2 ASP A 56 32.319 -34.588 5.587 1.00 25.35 O ATOM 807 HA ASP A 56 31.529 -37.854 2.417 1.00 0.00 H ATOM 808 HB2 ASP A 56 31.757 -37.138 4.762 1.00 0.00 H ATOM 809 HB3 ASP A 56 33.228 -36.597 3.919 1.00 0.00 H ATOM 810 H ASP A 56 32.602 -35.117 1.811 1.00 0.00 H ATOM 811 N GLY A 57 29.502 -35.817 1.600 1.00 20.15 N ATOM 812 CA GLY A 57 28.065 -35.643 1.436 1.00 22.08 C ATOM 813 C GLY A 57 27.471 -34.602 2.394 1.00 22.76 C ATOM 814 O GLY A 57 26.307 -34.233 2.271 1.00 22.63 O ATOM 815 HA3 GLY A 57 27.576 -36.600 1.617 1.00 0.00 H ATOM 816 HA2 GLY A 57 27.869 -35.325 0.412 1.00 0.00 H ATOM 817 H GLY A 57 30.167 -35.350 0.950 1.00 0.00 H ATOM 818 N ARG A 58 28.276 -33.999 3.256 1.00 20.72 N ATOM 819 CA ARG A 58 27.673 -33.094 4.295 1.00 21.12 C ATOM 820 C ARG A 58 27.462 -31.682 3.839 1.00 21.94 C ATOM 821 O ARG A 58 26.631 -30.894 4.451 1.00 23.49 O ATOM 822 CB ARG A 58 28.598 -33.118 5.548 1.00 20.97 C ATOM 823 CG ARG A 58 28.694 -34.512 6.201 1.00 26.73 C ATOM 824 CD ARG A 58 27.314 -35.197 6.437 1.00 33.95 C ATOM 825 NE ARG A 58 26.287 -34.341 7.094 1.00 43.64 N ATOM 826 CZ ARG A 58 25.868 -34.476 8.370 1.00 45.78 C ATOM 827 NH1 ARG A 58 26.377 -35.432 9.129 1.00 45.25 N ATOM 828 NH2 ARG A 58 24.959 -33.635 8.877 1.00 46.39 N ATOM 829 HA ARG A 58 26.676 -33.474 4.518 1.00 0.00 H ATOM 830 HB2 ARG A 58 29.598 -32.805 5.248 1.00 0.00 H ATOM 831 HB3 ARG A 58 28.205 -32.416 6.284 1.00 0.00 H ATOM 832 HG2 ARG A 58 29.290 -35.154 5.553 1.00 0.00 H ATOM 833 HG3 ARG A 58 29.194 -34.406 7.164 1.00 0.00 H ATOM 834 HD2 ARG A 58 27.475 -36.074 7.065 1.00 0.00 H ATOM 835 HD3 ARG A 58 26.923 -35.511 5.469 1.00 0.00 H ATOM 836 HE ARG A 58 25.860 -33.581 6.526 1.00 0.00 H ATOM 837 HH12 ARG A 58 26.058 -35.540 10.113 1.00 0.00 H ATOM 838 HH11 ARG A 58 27.097 -36.075 8.742 1.00 0.00 H ATOM 839 HH22 ARG A 58 24.641 -33.745 9.861 1.00 0.00 H ATOM 840 HH21 ARG A 58 24.571 -32.872 8.287 1.00 0.00 H ATOM 841 H ARG A 58 29.304 -34.148 3.215 1.00 0.00 H ATOM 842 N LEU A 59 28.200 -31.240 2.842 1.00 17.75 N ATOM 843 CA LEU A 59 28.078 -29.843 2.467 1.00 18.11 C ATOM 844 C LEU A 59 27.560 -29.833 0.994 1.00 18.62 C ATOM 845 O LEU A 59 28.066 -30.664 0.195 1.00 18.11 O ATOM 846 CB LEU A 59 29.460 -29.155 2.480 1.00 17.83 C ATOM 847 CG LEU A 59 30.148 -29.065 3.907 1.00 19.17 C ATOM 848 CD1 LEU A 59 31.547 -28.377 3.665 1.00 17.93 C ATOM 849 CD2 LEU A 59 29.300 -28.267 4.821 1.00 23.98 C ATOM 850 HA LEU A 59 27.416 -29.321 3.158 1.00 0.00 H ATOM 851 HB2 LEU A 59 30.123 -29.713 1.819 1.00 0.00 H ATOM 852 HB3 LEU A 59 29.338 -28.141 2.098 1.00 0.00 H ATOM 853 HG LEU A 59 30.276 -30.043 4.371 1.00 0.00 H ATOM 854 HD21 LEU A 59 29.176 -27.263 4.415 1.00 0.00 H ATOM 855 HD22 LEU A 59 28.325 -28.744 4.919 1.00 0.00 H ATOM 856 HD23 LEU A 59 29.777 -28.209 5.799 1.00 0.00 H ATOM 857 HD11 LEU A 59 32.136 -28.985 2.979 1.00 0.00 H ATOM 858 HD12 LEU A 59 31.394 -27.387 3.235 1.00 0.00 H ATOM 859 HD13 LEU A 59 32.074 -28.285 4.615 1.00 0.00 H ATOM 860 H LEU A 59 28.852 -31.874 2.337 1.00 0.00 H ATOM 861 N THR A 60 26.602 -28.951 0.717 1.00 19.36 N ATOM 862 CA THR A 60 26.178 -28.730 -0.723 1.00 19.35 C ATOM 863 C THR A 60 26.073 -27.251 -1.036 1.00 22.27 C ATOM 864 O THR A 60 25.795 -26.396 -0.109 1.00 22.23 O ATOM 865 CB THR A 60 24.825 -29.413 -0.999 1.00 20.60 C ATOM 866 OG1 THR A 60 23.845 -28.870 -0.061 1.00 21.29 O ATOM 867 CG2 THR A 60 24.939 -30.890 -0.841 1.00 19.01 C ATOM 868 HA THR A 60 26.940 -29.171 -1.365 1.00 0.00 H ATOM 869 HB THR A 60 24.511 -29.218 -2.024 1.00 0.00 H ATOM 870 HG1 THR A 60 22.966 -29.296 -0.221 1.00 0.00 H ATOM 871 HG23 THR A 60 25.674 -31.274 -1.549 1.00 0.00 H ATOM 872 HG21 THR A 60 25.256 -31.122 0.176 1.00 0.00 H ATOM 873 HG22 THR A 60 23.970 -31.351 -1.035 1.00 0.00 H ATOM 874 H THR A 60 26.147 -28.416 1.484 1.00 0.00 H ATOM 875 N THR A 61 26.306 -26.882 -2.312 1.00 17.43 N ATOM 876 CA THR A 61 26.169 -25.490 -2.758 1.00 20.20 C ATOM 877 C THR A 61 25.479 -25.572 -4.103 1.00 20.91 C ATOM 878 O THR A 61 25.740 -26.531 -4.878 1.00 19.13 O ATOM 879 CB THR A 61 27.598 -24.854 -3.056 1.00 22.18 C ATOM 880 OG1 THR A 61 28.308 -24.816 -1.846 1.00 27.67 O ATOM 881 CG2 THR A 61 27.511 -23.401 -3.630 1.00 28.25 C ATOM 882 HA THR A 61 25.646 -24.901 -2.004 1.00 0.00 H ATOM 883 HB THR A 61 28.092 -25.468 -3.809 1.00 0.00 H ATOM 884 HG1 THR A 61 28.406 -25.736 -1.493 1.00 0.00 H ATOM 885 HG23 THR A 61 26.961 -23.416 -4.571 1.00 0.00 H ATOM 886 HG21 THR A 61 26.994 -22.760 -2.916 1.00 0.00 H ATOM 887 HG22 THR A 61 28.517 -23.019 -3.801 1.00 0.00 H ATOM 888 H THR A 61 26.592 -27.606 -3.002 1.00 0.00 H ATOM 889 N TYR A 62 24.622 -24.576 -4.385 1.00 20.36 N ATOM 890 CA TYR A 62 23.918 -24.499 -5.686 1.00 19.00 C ATOM 891 C TYR A 62 24.154 -23.154 -6.339 1.00 21.78 C ATOM 892 O TYR A 62 24.313 -22.099 -5.633 1.00 21.98 O ATOM 893 CB TYR A 62 22.422 -24.612 -5.381 1.00 18.56 C ATOM 894 CG TYR A 62 22.091 -25.961 -4.768 1.00 19.90 C ATOM 895 CD1 TYR A 62 21.829 -27.055 -5.647 1.00 20.17 C ATOM 896 CD2 TYR A 62 22.073 -26.175 -3.399 1.00 20.18 C ATOM 897 CE1 TYR A 62 21.509 -28.351 -5.159 1.00 18.12 C ATOM 898 CE2 TYR A 62 21.767 -27.467 -2.869 1.00 22.20 C ATOM 899 CZ TYR A 62 21.486 -28.544 -3.748 1.00 19.02 C ATOM 900 OH TYR A 62 21.202 -29.771 -3.238 1.00 19.17 O ATOM 901 HA TYR A 62 24.275 -25.285 -6.352 1.00 0.00 H ATOM 902 HB3 TYR A 62 21.859 -24.493 -6.307 1.00 0.00 H ATOM 903 HB2 TYR A 62 22.140 -23.824 -4.683 1.00 0.00 H ATOM 904 HD2 TYR A 62 22.294 -25.351 -2.720 1.00 0.00 H ATOM 905 HE2 TYR A 62 21.750 -27.624 -1.791 1.00 0.00 H ATOM 906 HE1 TYR A 62 21.288 -29.171 -5.843 1.00 0.00 H ATOM 907 HD1 TYR A 62 21.876 -26.892 -6.724 1.00 0.00 H ATOM 908 HH TYR A 62 21.970 -30.090 -2.701 1.00 0.00 H ATOM 909 H TYR A 62 24.449 -23.840 -3.671 1.00 0.00 H ATOM 910 N GLY A 63 24.061 -23.091 -7.657 1.00 20.02 N ATOM 911 CA GLY A 63 24.121 -21.796 -8.322 1.00 23.95 C ATOM 912 C GLY A 63 22.836 -21.043 -8.034 1.00 25.57 C ATOM 913 O GLY A 63 21.786 -21.621 -7.684 1.00 23.51 O ATOM 914 HA3 GLY A 63 24.230 -21.940 -9.397 1.00 0.00 H ATOM 915 HA2 GLY A 63 24.972 -21.228 -7.945 1.00 0.00 H ATOM 916 H GLY A 63 23.946 -23.961 -8.215 1.00 0.00 H ATOM 917 N ASP A 64 22.924 -19.717 -8.112 1.00 26.77 N ATOM 918 CA ASP A 64 21.788 -18.901 -7.677 1.00 29.73 C ATOM 919 C ASP A 64 20.552 -19.163 -8.511 1.00 29.15 C ATOM 920 O ASP A 64 19.461 -19.157 -7.955 1.00 30.68 O ATOM 921 CB ASP A 64 22.082 -17.424 -7.887 1.00 32.30 C ATOM 922 CG ASP A 64 23.029 -16.857 -6.824 1.00 40.16 C ATOM 923 OD1 ASP A 64 23.207 -17.511 -5.770 1.00 43.34 O ATOM 924 OD2 ASP A 64 23.590 -15.771 -7.100 1.00 48.15 O ATOM 925 HA ASP A 64 21.626 -19.157 -6.630 1.00 0.00 H ATOM 926 HB2 ASP A 64 22.539 -17.294 -8.868 1.00 0.00 H ATOM 927 HB3 ASP A 64 21.143 -16.872 -7.849 1.00 0.00 H ATOM 928 H ASP A 64 23.788 -19.267 -8.477 1.00 0.00 H ATOM 929 N SER A 65 20.731 -19.446 -9.800 1.00 27.37 N ATOM 930 CA SER A 65 19.532 -19.699 -10.633 1.00 28.15 C ATOM 931 C SER A 65 18.792 -21.044 -10.386 1.00 26.26 C ATOM 932 O SER A 65 17.668 -21.217 -10.863 1.00 26.15 O ATOM 933 CB SER A 65 19.843 -19.507 -12.122 1.00 28.52 C ATOM 934 OG SER A 65 20.807 -20.452 -12.541 1.00 32.65 O ATOM 935 HA SER A 65 18.820 -18.943 -10.301 1.00 0.00 H ATOM 936 HB2 SER A 65 20.230 -18.501 -12.283 1.00 0.00 H ATOM 937 HB3 SER A 65 18.930 -19.641 -12.702 1.00 0.00 H ATOM 938 HG SER A 65 21.637 -20.330 -12.016 1.00 0.00 H ATOM 939 H SER A 65 21.686 -19.488 -10.210 1.00 0.00 H ATOM 940 N VAL A 66 19.364 -21.977 -9.607 1.00 22.02 N ATOM 941 CA VAL A 66 18.709 -23.290 -9.388 1.00 21.75 C ATOM 942 C VAL A 66 18.457 -23.609 -7.973 1.00 24.04 C ATOM 943 O VAL A 66 17.809 -24.635 -7.615 1.00 23.51 O ATOM 944 CB VAL A 66 19.598 -24.463 -10.050 1.00 21.56 C ATOM 945 CG1 VAL A 66 19.856 -24.188 -11.578 1.00 19.97 C ATOM 946 CG2 VAL A 66 20.903 -24.661 -9.225 1.00 19.06 C ATOM 947 HA VAL A 66 17.733 -23.220 -9.868 1.00 0.00 H ATOM 948 HB VAL A 66 19.049 -25.404 -10.013 1.00 0.00 H ATOM 949 HG11 VAL A 66 18.902 -24.136 -12.103 1.00 0.00 H ATOM 950 HG12 VAL A 66 20.387 -23.243 -11.691 1.00 0.00 H ATOM 951 HG13 VAL A 66 20.457 -24.996 -11.995 1.00 0.00 H ATOM 952 HG21 VAL A 66 21.474 -23.732 -9.222 1.00 0.00 H ATOM 953 HG22 VAL A 66 20.646 -24.935 -8.202 1.00 0.00 H ATOM 954 HG23 VAL A 66 21.500 -25.454 -9.676 1.00 0.00 H ATOM 955 H VAL A 66 20.277 -21.776 -9.152 1.00 0.00 H ATOM 956 N LYS A 67 18.970 -22.752 -7.046 1.00 24.64 N ATOM 957 CA LYS A 67 18.764 -23.093 -5.631 1.00 25.98 C ATOM 958 C LYS A 67 17.295 -23.140 -5.303 1.00 25.66 C ATOM 959 O LYS A 67 16.520 -22.313 -5.779 1.00 28.35 O ATOM 960 CB LYS A 67 19.466 -22.027 -4.782 1.00 28.33 C ATOM 961 CG LYS A 67 19.605 -22.392 -3.294 1.00 34.90 C ATOM 962 CD LYS A 67 20.486 -21.256 -2.661 1.00 42.52 C ATOM 963 CE LYS A 67 19.932 -20.836 -1.350 1.00 53.36 C ATOM 964 NZ LYS A 67 20.274 -21.924 -0.426 1.00 56.17 N ATOM 965 HA LYS A 67 19.179 -24.079 -5.421 1.00 0.00 H ATOM 966 HB2 LYS A 67 20.464 -21.869 -5.190 1.00 0.00 H ATOM 967 HB3 LYS A 67 18.895 -21.102 -4.855 1.00 0.00 H ATOM 968 HG2 LYS A 67 18.626 -22.425 -2.817 1.00 0.00 H ATOM 969 HG3 LYS A 67 20.094 -23.360 -3.183 1.00 0.00 H ATOM 970 HD2 LYS A 67 21.501 -21.626 -2.519 1.00 0.00 H ATOM 971 HD3 LYS A 67 20.504 -20.399 -3.334 1.00 0.00 H ATOM 972 HE2 LYS A 67 18.851 -20.712 -1.413 1.00 0.00 H ATOM 973 HE3 LYS A 67 20.386 -19.900 -1.024 1.00 0.00 H ATOM 974 HZ1 LYS A 67 19.842 -22.809 -0.760 1.00 0.00 H ATOM 975 HZ2 LYS A 67 21.308 -22.034 -0.389 1.00 0.00 H ATOM 976 HZ3 LYS A 67 19.914 -21.697 0.523 1.00 0.00 H ATOM 977 H LYS A 67 19.485 -21.894 -7.328 1.00 0.00 H ATOM 978 N GLY A 68 16.908 -24.149 -4.531 1.00 26.59 N ATOM 979 CA GLY A 68 15.515 -24.383 -4.149 1.00 27.86 C ATOM 980 C GLY A 68 14.820 -25.305 -5.117 1.00 27.97 C ATOM 981 O GLY A 68 13.812 -25.921 -4.766 1.00 30.00 O ATOM 982 HA3 GLY A 68 14.989 -23.429 -4.129 1.00 0.00 H ATOM 983 HA2 GLY A 68 15.491 -24.830 -3.155 1.00 0.00 H ATOM 984 H GLY A 68 17.633 -24.807 -4.180 1.00 0.00 H ATOM 985 N ARG A 69 15.317 -25.374 -6.365 1.00 21.38 N ATOM 986 CA ARG A 69 14.603 -26.247 -7.343 1.00 22.08 C ATOM 987 C ARG A 69 15.342 -27.544 -7.572 1.00 21.39 C ATOM 988 O ARG A 69 14.741 -28.598 -7.873 1.00 19.62 O ATOM 989 CB ARG A 69 14.474 -25.539 -8.695 1.00 22.09 C ATOM 990 CG ARG A 69 13.541 -24.354 -8.551 1.00 24.16 C ATOM 991 CD ARG A 69 13.288 -23.744 -9.938 1.00 25.21 C ATOM 992 NE ARG A 69 14.511 -23.214 -10.566 1.00 22.24 N ATOM 993 CZ ARG A 69 14.964 -23.680 -11.736 1.00 23.75 C ATOM 994 NH1 ARG A 69 14.264 -24.624 -12.419 1.00 22.17 N ATOM 995 NH2 ARG A 69 16.068 -23.204 -12.254 1.00 22.04 N ATOM 996 HA ARG A 69 13.620 -26.456 -6.921 1.00 0.00 H ATOM 997 HB2 ARG A 69 15.455 -25.193 -9.021 1.00 0.00 H ATOM 998 HB3 ARG A 69 14.071 -26.233 -9.433 1.00 0.00 H ATOM 999 HG2 ARG A 69 12.596 -24.683 -8.118 1.00 0.00 H ATOM 1000 HG3 ARG A 69 13.996 -23.607 -7.901 1.00 0.00 H ATOM 1001 HD2 ARG A 69 12.570 -22.930 -9.834 1.00 0.00 H ATOM 1002 HD3 ARG A 69 12.871 -24.515 -10.586 1.00 0.00 H ATOM 1003 HE ARG A 69 15.037 -22.456 -10.086 1.00 0.00 H ATOM 1004 HH12 ARG A 69 14.622 -24.981 -13.328 1.00 0.00 H ATOM 1005 HH11 ARG A 69 13.370 -24.989 -12.033 1.00 0.00 H ATOM 1006 HH22 ARG A 69 16.416 -23.570 -13.163 1.00 0.00 H ATOM 1007 HH21 ARG A 69 16.598 -22.460 -11.756 1.00 0.00 H ATOM 1008 H ARG A 69 16.166 -24.840 -6.638 1.00 0.00 H ATOM 1009 N PHE A 70 16.692 -27.475 -7.504 1.00 19.36 N ATOM 1010 CA PHE A 70 17.472 -28.696 -7.759 1.00 18.10 C ATOM 1011 C PHE A 70 18.068 -29.223 -6.464 1.00 20.26 C ATOM 1012 O PHE A 70 18.289 -28.433 -5.504 1.00 21.16 O ATOM 1013 CB PHE A 70 18.679 -28.405 -8.676 1.00 18.23 C ATOM 1014 CG PHE A 70 18.316 -27.999 -10.102 1.00 17.95 C ATOM 1015 CD1 PHE A 70 16.997 -27.855 -10.524 1.00 20.36 C ATOM 1016 CD2 PHE A 70 19.380 -27.822 -11.033 1.00 20.09 C ATOM 1017 CE1 PHE A 70 16.734 -27.465 -11.879 1.00 18.75 C ATOM 1018 CE2 PHE A 70 19.123 -27.517 -12.319 1.00 21.31 C ATOM 1019 CZ PHE A 70 17.842 -27.304 -12.782 1.00 22.30 C ATOM 1020 HA PHE A 70 16.788 -29.410 -8.217 1.00 0.00 H ATOM 1021 HB2 PHE A 70 19.257 -27.596 -8.230 1.00 0.00 H ATOM 1022 HB3 PHE A 70 19.293 -29.304 -8.725 1.00 0.00 H ATOM 1023 HD2 PHE A 70 20.412 -27.935 -10.701 1.00 0.00 H ATOM 1024 HE2 PHE A 70 19.956 -27.436 -13.018 1.00 0.00 H ATOM 1025 HZ PHE A 70 17.671 -27.017 -13.820 1.00 0.00 H ATOM 1026 HE1 PHE A 70 15.712 -27.294 -12.218 1.00 0.00 H ATOM 1027 HD1 PHE A 70 16.174 -28.037 -9.833 1.00 0.00 H ATOM 1028 H PHE A 70 17.167 -26.578 -7.276 1.00 0.00 H ATOM 1029 N THR A 71 18.261 -30.542 -6.410 1.00 17.63 N ATOM 1030 CA THR A 71 18.872 -31.171 -5.203 1.00 19.57 C ATOM 1031 C THR A 71 19.995 -32.112 -5.650 1.00 19.20 C ATOM 1032 O THR A 71 19.760 -33.076 -6.407 1.00 18.39 O ATOM 1033 CB THR A 71 17.868 -31.999 -4.391 1.00 22.44 C ATOM 1034 OG1 THR A 71 16.827 -31.109 -4.024 1.00 22.47 O ATOM 1035 CG2 THR A 71 18.572 -32.488 -3.046 1.00 23.12 C ATOM 1036 HA THR A 71 19.238 -30.361 -4.571 1.00 0.00 H ATOM 1037 HB THR A 71 17.508 -32.856 -4.961 1.00 0.00 H ATOM 1038 HG1 THR A 71 16.407 -30.740 -4.841 1.00 0.00 H ATOM 1039 HG23 THR A 71 19.381 -33.177 -3.290 1.00 0.00 H ATOM 1040 HG21 THR A 71 18.975 -31.626 -2.514 1.00 0.00 H ATOM 1041 HG22 THR A 71 17.840 -32.994 -2.417 1.00 0.00 H ATOM 1042 H THR A 71 17.983 -31.137 -7.216 1.00 0.00 H ATOM 1043 N ILE A 72 21.205 -31.888 -5.119 1.00 17.95 N ATOM 1044 CA ILE A 72 22.306 -32.824 -5.380 1.00 16.11 C ATOM 1045 C ILE A 72 22.457 -33.826 -4.236 1.00 17.82 C ATOM 1046 O ILE A 72 22.309 -33.437 -3.018 1.00 19.57 O ATOM 1047 CB ILE A 72 23.639 -32.052 -5.686 1.00 16.25 C ATOM 1048 CG1 ILE A 72 24.726 -33.042 -6.218 1.00 16.76 C ATOM 1049 CG2 ILE A 72 24.171 -31.143 -4.441 1.00 15.72 C ATOM 1050 CD1 ILE A 72 26.035 -32.298 -6.637 1.00 15.59 C ATOM 1051 HA ILE A 72 22.065 -33.401 -6.272 1.00 0.00 H ATOM 1052 HB ILE A 72 23.419 -31.330 -6.473 1.00 0.00 H ATOM 1053 HG12 ILE A 72 24.964 -33.760 -5.433 1.00 0.00 H ATOM 1054 HG13 ILE A 72 24.328 -33.571 -7.084 1.00 0.00 H ATOM 1055 HD11 ILE A 72 25.808 -31.582 -7.427 1.00 0.00 H ATOM 1056 HD12 ILE A 72 26.444 -31.771 -5.775 1.00 0.00 H ATOM 1057 HD13 ILE A 72 26.763 -33.023 -7.000 1.00 0.00 H ATOM 1058 HG21 ILE A 72 23.416 -30.399 -4.187 1.00 0.00 H ATOM 1059 HG22 ILE A 72 24.357 -31.783 -3.579 1.00 0.00 H ATOM 1060 HG23 ILE A 72 25.095 -30.641 -4.728 1.00 0.00 H ATOM 1061 H ILE A 72 21.364 -31.051 -4.522 1.00 0.00 H ATOM 1062 N SER A 73 22.774 -35.091 -4.539 1.00 16.52 N ATOM 1063 CA SER A 73 22.932 -36.072 -3.453 1.00 17.60 C ATOM 1064 C SER A 73 23.834 -37.156 -3.995 1.00 18.09 C ATOM 1065 O SER A 73 24.131 -37.201 -5.218 1.00 19.31 O ATOM 1066 CB SER A 73 21.584 -36.714 -2.998 1.00 21.20 C ATOM 1067 OG SER A 73 21.035 -37.461 -4.115 1.00 21.36 O ATOM 1068 HA SER A 73 23.339 -35.568 -2.576 1.00 0.00 H ATOM 1069 HB2 SER A 73 20.886 -35.932 -2.698 1.00 0.00 H ATOM 1070 HB3 SER A 73 21.760 -37.384 -2.157 1.00 0.00 H ATOM 1071 HG SER A 73 20.880 -36.847 -4.876 1.00 0.00 H ATOM 1072 H SER A 73 22.907 -35.377 -5.530 1.00 0.00 H ATOM 1073 N ARG A 74 24.381 -37.990 -3.098 1.00 17.74 N ATOM 1074 CA ARG A 74 25.292 -39.028 -3.606 1.00 17.39 C ATOM 1075 C ARG A 74 25.071 -40.303 -2.840 1.00 20.86 C ATOM 1076 O ARG A 74 24.584 -40.205 -1.680 1.00 20.39 O ATOM 1077 CB ARG A 74 26.789 -38.580 -3.537 1.00 17.70 C ATOM 1078 CG ARG A 74 27.238 -38.343 -2.041 1.00 15.65 C ATOM 1079 CD ARG A 74 28.646 -37.676 -2.041 1.00 18.44 C ATOM 1080 NE ARG A 74 29.690 -38.458 -2.760 1.00 17.97 N ATOM 1081 CZ ARG A 74 30.807 -37.851 -3.218 1.00 15.24 C ATOM 1082 NH1 ARG A 74 30.958 -36.498 -3.049 1.00 16.26 N ATOM 1083 NH2 ARG A 74 31.692 -38.592 -3.880 1.00 18.56 N ATOM 1084 HA ARG A 74 25.068 -39.197 -4.659 1.00 0.00 H ATOM 1085 HB2 ARG A 74 27.415 -39.355 -3.979 1.00 0.00 H ATOM 1086 HB3 ARG A 74 26.911 -37.653 -4.098 1.00 0.00 H ATOM 1087 HG2 ARG A 74 26.522 -37.689 -1.542 1.00 0.00 H ATOM 1088 HG3 ARG A 74 27.284 -39.297 -1.516 1.00 0.00 H ATOM 1089 HD2 ARG A 74 28.965 -37.549 -1.006 1.00 0.00 H ATOM 1090 HD3 ARG A 74 28.562 -36.699 -2.516 1.00 0.00 H ATOM 1091 HE ARG A 74 29.558 -39.479 -2.911 1.00 0.00 H ATOM 1092 HH12 ARG A 74 31.815 -36.023 -3.398 1.00 0.00 H ATOM 1093 HH11 ARG A 74 30.216 -35.948 -2.571 1.00 0.00 H ATOM 1094 HH22 ARG A 74 32.563 -38.158 -4.247 1.00 0.00 H ATOM 1095 HH21 ARG A 74 31.513 -39.605 -4.031 1.00 0.00 H ATOM 1096 H ARG A 74 24.170 -37.906 -2.083 1.00 0.00 H ATOM 1097 N ASP A 75 25.370 -41.456 -3.465 1.00 20.68 N ATOM 1098 CA ASP A 75 25.212 -42.744 -2.796 1.00 24.36 C ATOM 1099 C ASP A 75 26.517 -43.516 -2.913 1.00 23.99 C ATOM 1100 O ASP A 75 26.967 -43.873 -3.994 1.00 24.06 O ATOM 1101 CB ASP A 75 24.103 -43.578 -3.429 1.00 23.73 C ATOM 1102 CG ASP A 75 23.857 -44.904 -2.587 1.00 34.57 C ATOM 1103 OD1 ASP A 75 24.392 -45.954 -2.919 1.00 31.33 O ATOM 1104 OD2 ASP A 75 23.270 -44.779 -1.511 1.00 39.99 O ATOM 1105 HA ASP A 75 24.950 -42.555 -1.755 1.00 0.00 H ATOM 1106 HB2 ASP A 75 23.184 -42.993 -3.455 1.00 0.00 H ATOM 1107 HB3 ASP A 75 24.391 -43.846 -4.446 1.00 0.00 H ATOM 1108 H ASP A 75 25.721 -41.429 -4.444 1.00 0.00 H ATOM 1109 N LYS A 76 27.137 -43.781 -1.790 1.00 24.75 N ATOM 1110 CA LYS A 76 28.412 -44.460 -1.795 1.00 25.21 C ATOM 1111 C LYS A 76 28.357 -45.904 -2.284 1.00 27.51 C ATOM 1112 O LYS A 76 29.161 -46.335 -3.037 1.00 28.69 O ATOM 1113 CB LYS A 76 29.011 -44.413 -0.405 1.00 27.87 C ATOM 1114 CG LYS A 76 30.339 -45.012 -0.280 1.00 32.38 C ATOM 1115 CD LYS A 76 30.915 -44.642 1.055 1.00 38.22 C ATOM 1116 CE LYS A 76 32.305 -44.182 0.935 1.00 49.38 C ATOM 1117 NZ LYS A 76 32.486 -42.724 1.004 1.00 45.72 N ATOM 1118 HA LYS A 76 29.037 -43.928 -2.513 1.00 0.00 H ATOM 1119 HB2 LYS A 76 29.082 -43.368 -0.103 1.00 0.00 H ATOM 1120 HB3 LYS A 76 28.338 -44.940 0.271 1.00 0.00 H ATOM 1121 HG2 LYS A 76 30.260 -46.096 -0.357 1.00 0.00 H ATOM 1122 HG3 LYS A 76 30.986 -44.638 -1.074 1.00 0.00 H ATOM 1123 HD2 LYS A 76 30.314 -43.844 1.491 1.00 0.00 H ATOM 1124 HD3 LYS A 76 30.886 -45.515 1.707 1.00 0.00 H ATOM 1125 HE2 LYS A 76 32.694 -44.526 -0.023 1.00 0.00 H ATOM 1126 HE3 LYS A 76 32.882 -44.633 1.743 1.00 0.00 H ATOM 1127 HZ1 LYS A 76 31.955 -42.273 0.232 1.00 0.00 H ATOM 1128 HZ2 LYS A 76 32.134 -42.375 1.918 1.00 0.00 H ATOM 1129 HZ3 LYS A 76 33.496 -42.497 0.910 1.00 0.00 H ATOM 1130 H LYS A 76 26.707 -43.500 -0.886 1.00 0.00 H ATOM 1131 N GLY A 77 27.372 -46.631 -1.832 1.00 28.99 N ATOM 1132 CA GLY A 77 27.247 -48.064 -2.205 1.00 30.35 C ATOM 1133 C GLY A 77 27.078 -48.226 -3.714 1.00 32.51 C ATOM 1134 O GLY A 77 27.685 -49.129 -4.324 1.00 30.74 O ATOM 1135 HA3 GLY A 77 26.379 -48.489 -1.701 1.00 0.00 H ATOM 1136 HA2 GLY A 77 28.145 -48.594 -1.888 1.00 0.00 H ATOM 1137 H GLY A 77 26.665 -46.202 -1.202 1.00 0.00 H ATOM 1138 N LYS A 78 26.330 -47.290 -4.361 1.00 29.67 N ATOM 1139 CA LYS A 78 26.219 -47.378 -5.816 1.00 30.19 C ATOM 1140 C LYS A 78 27.265 -46.593 -6.629 1.00 28.12 C ATOM 1141 O LYS A 78 27.206 -46.595 -7.884 1.00 26.27 O ATOM 1142 CB LYS A 78 24.845 -46.856 -6.255 1.00 30.88 C ATOM 1143 CG LYS A 78 23.732 -47.866 -5.840 1.00 36.54 C ATOM 1144 CD LYS A 78 22.363 -47.383 -6.248 1.00 42.52 C ATOM 1145 CE LYS A 78 21.637 -46.766 -5.084 1.00 49.79 C ATOM 1146 NZ LYS A 78 21.063 -45.401 -5.340 1.00 54.77 N ATOM 1147 HA LYS A 78 26.382 -48.435 -6.026 1.00 0.00 H ATOM 1148 HB2 LYS A 78 24.655 -45.894 -5.779 1.00 0.00 H ATOM 1149 HB3 LYS A 78 24.835 -46.732 -7.338 1.00 0.00 H ATOM 1150 HG2 LYS A 78 23.927 -48.825 -6.321 1.00 0.00 H ATOM 1151 HG3 LYS A 78 23.755 -47.993 -4.758 1.00 0.00 H ATOM 1152 HD2 LYS A 78 22.468 -46.639 -7.037 1.00 0.00 H ATOM 1153 HD3 LYS A 78 21.784 -48.227 -6.622 1.00 0.00 H ATOM 1154 HE2 LYS A 78 22.337 -46.687 -4.252 1.00 0.00 H ATOM 1155 HE3 LYS A 78 20.818 -47.430 -4.806 1.00 0.00 H ATOM 1156 HZ1 LYS A 78 21.830 -44.746 -5.593 1.00 0.00 H ATOM 1157 HZ2 LYS A 78 20.379 -45.455 -6.122 1.00 0.00 H ATOM 1158 HZ3 LYS A 78 20.584 -45.061 -4.482 1.00 0.00 H ATOM 1159 H LYS A 78 25.850 -46.533 -3.834 1.00 0.00 H ATOM 1160 N ASN A 79 28.106 -45.850 -5.922 1.00 24.01 N ATOM 1161 CA ASN A 79 29.169 -44.989 -6.527 1.00 24.36 C ATOM 1162 C ASN A 79 28.477 -44.111 -7.584 1.00 22.36 C ATOM 1163 O ASN A 79 28.985 -44.016 -8.743 1.00 21.85 O ATOM 1164 CB ASN A 79 30.236 -45.865 -7.192 1.00 24.05 C ATOM 1165 CG ASN A 79 31.518 -45.137 -7.442 1.00 25.79 C ATOM 1166 OD1 ASN A 79 32.198 -45.404 -8.468 1.00 28.90 O ATOM 1167 ND2 ASN A 79 31.863 -44.250 -6.569 1.00 20.85 N ATOM 1168 HA ASN A 79 29.660 -44.379 -5.769 1.00 0.00 H ATOM 1169 HB2 ASN A 79 30.441 -46.716 -6.543 1.00 0.00 H ATOM 1170 HB3 ASN A 79 29.847 -46.222 -8.146 1.00 0.00 H ATOM 1171 HD22 ASN A 79 31.259 -44.073 -5.741 1.00 0.00 H ATOM 1172 HD21 ASN A 79 32.744 -43.712 -6.694 1.00 0.00 H ATOM 1173 H ASN A 79 28.021 -45.867 -4.886 1.00 0.00 H ATOM 1174 N THR A 80 27.391 -43.449 -7.193 1.00 20.46 N ATOM 1175 CA THR A 80 26.620 -42.584 -8.145 1.00 21.13 C ATOM 1176 C THR A 80 26.290 -41.271 -7.476 1.00 20.19 C ATOM 1177 O THR A 80 26.140 -41.201 -6.258 1.00 18.70 O ATOM 1178 CB THR A 80 25.302 -43.326 -8.489 1.00 23.39 C ATOM 1179 OG1 THR A 80 25.670 -44.504 -9.195 1.00 24.05 O ATOM 1180 CG2 THR A 80 24.486 -42.508 -9.516 1.00 24.17 C ATOM 1181 HA THR A 80 27.203 -42.389 -9.045 1.00 0.00 H ATOM 1182 HB THR A 80 24.736 -43.500 -7.574 1.00 0.00 H ATOM 1183 HG1 THR A 80 26.251 -45.064 -8.621 1.00 0.00 H ATOM 1184 HG23 THR A 80 24.158 -41.575 -9.057 1.00 0.00 H ATOM 1185 HG21 THR A 80 25.110 -42.288 -10.382 1.00 0.00 H ATOM 1186 HG22 THR A 80 23.617 -43.086 -9.830 1.00 0.00 H ATOM 1187 H THR A 80 27.070 -43.533 -6.207 1.00 0.00 H ATOM 1188 N VAL A 81 26.211 -40.223 -8.262 1.00 16.35 N ATOM 1189 CA VAL A 81 25.806 -38.928 -7.799 1.00 17.29 C ATOM 1190 C VAL A 81 24.590 -38.513 -8.594 1.00 17.37 C ATOM 1191 O VAL A 81 24.514 -38.814 -9.734 1.00 17.98 O ATOM 1192 CB VAL A 81 26.892 -37.871 -8.053 1.00 18.55 C ATOM 1193 CG1 VAL A 81 26.491 -36.585 -7.496 1.00 19.34 C ATOM 1194 CG2 VAL A 81 28.081 -38.267 -7.437 1.00 25.89 C ATOM 1195 HA VAL A 81 25.611 -38.991 -6.728 1.00 0.00 H ATOM 1196 HB VAL A 81 27.034 -37.774 -9.129 1.00 0.00 H ATOM 1197 HG11 VAL A 81 25.563 -36.261 -7.966 1.00 0.00 H ATOM 1198 HG12 VAL A 81 26.339 -36.687 -6.421 1.00 0.00 H ATOM 1199 HG13 VAL A 81 27.272 -35.849 -7.685 1.00 0.00 H ATOM 1200 HG21 VAL A 81 27.917 -38.369 -6.364 1.00 0.00 H ATOM 1201 HG22 VAL A 81 28.401 -39.224 -7.849 1.00 0.00 H ATOM 1202 HG23 VAL A 81 28.850 -37.516 -7.618 1.00 0.00 H ATOM 1203 H VAL A 81 26.453 -40.337 -9.267 1.00 0.00 H ATOM 1204 N TYR A 82 23.704 -37.773 -7.955 1.00 18.29 N ATOM 1205 CA TYR A 82 22.396 -37.457 -8.579 1.00 17.41 C ATOM 1206 C TYR A 82 22.130 -35.994 -8.622 1.00 17.89 C ATOM 1207 O TYR A 82 22.563 -35.311 -7.685 1.00 18.05 O ATOM 1208 CB TYR A 82 21.211 -38.101 -7.765 1.00 20.08 C ATOM 1209 CG TYR A 82 21.344 -39.607 -7.675 1.00 21.84 C ATOM 1210 CD1 TYR A 82 20.958 -40.450 -8.723 1.00 24.84 C ATOM 1211 CD2 TYR A 82 21.963 -40.204 -6.540 1.00 24.23 C ATOM 1212 CE1 TYR A 82 21.107 -41.878 -8.608 1.00 28.27 C ATOM 1213 CE2 TYR A 82 22.129 -41.556 -6.454 1.00 30.17 C ATOM 1214 CZ TYR A 82 21.701 -42.378 -7.486 1.00 28.22 C ATOM 1215 OH TYR A 82 21.920 -43.714 -7.301 1.00 30.24 O ATOM 1216 HA TYR A 82 22.451 -37.860 -9.590 1.00 0.00 H ATOM 1217 HB3 TYR A 82 20.270 -37.858 -8.259 1.00 0.00 H ATOM 1218 HB2 TYR A 82 21.208 -37.686 -6.757 1.00 0.00 H ATOM 1219 HD2 TYR A 82 22.311 -39.569 -5.725 1.00 0.00 H ATOM 1220 HE2 TYR A 82 22.599 -41.991 -5.572 1.00 0.00 H ATOM 1221 HE1 TYR A 82 20.754 -42.542 -9.397 1.00 0.00 H ATOM 1222 HD1 TYR A 82 20.541 -40.022 -9.635 1.00 0.00 H ATOM 1223 HH TYR A 82 21.583 -44.214 -8.086 1.00 0.00 H ATOM 1224 H TYR A 82 23.924 -37.408 -7.006 1.00 0.00 H ATOM 1225 N LEU A 83 21.347 -35.503 -9.604 1.00 16.31 N ATOM 1226 CA LEU A 83 20.859 -34.120 -9.597 1.00 13.86 C ATOM 1227 C LEU A 83 19.338 -34.255 -9.852 1.00 17.32 C ATOM 1228 O LEU A 83 18.933 -34.551 -10.974 1.00 16.91 O ATOM 1229 CB LEU A 83 21.506 -33.254 -10.660 1.00 14.24 C ATOM 1230 CG LEU A 83 21.113 -31.769 -10.564 1.00 15.84 C ATOM 1231 CD1 LEU A 83 21.740 -31.151 -9.274 1.00 18.88 C ATOM 1232 CD2 LEU A 83 21.636 -31.074 -11.843 1.00 17.84 C ATOM 1233 HA LEU A 83 21.100 -33.624 -8.657 1.00 0.00 H ATOM 1234 HB2 LEU A 83 22.588 -33.332 -10.558 1.00 0.00 H ATOM 1235 HB3 LEU A 83 21.207 -33.628 -11.639 1.00 0.00 H ATOM 1236 HG LEU A 83 20.033 -31.639 -10.495 1.00 0.00 H ATOM 1237 HD21 LEU A 83 22.719 -31.182 -11.896 1.00 0.00 H ATOM 1238 HD22 LEU A 83 21.180 -31.536 -12.718 1.00 0.00 H ATOM 1239 HD23 LEU A 83 21.376 -30.016 -11.812 1.00 0.00 H ATOM 1240 HD11 LEU A 83 21.368 -31.685 -8.399 1.00 0.00 H ATOM 1241 HD12 LEU A 83 22.825 -31.239 -9.321 1.00 0.00 H ATOM 1242 HD13 LEU A 83 21.462 -30.099 -9.205 1.00 0.00 H ATOM 1243 H LEU A 83 21.080 -36.126 -10.393 1.00 0.00 H ATOM 1244 N GLN A 84 18.555 -34.069 -8.770 1.00 16.14 N ATOM 1245 CA GLN A 84 17.097 -34.028 -8.909 1.00 16.69 C ATOM 1246 C GLN A 84 16.751 -32.673 -9.365 1.00 18.16 C ATOM 1247 O GLN A 84 17.059 -31.655 -8.726 1.00 18.53 O ATOM 1248 CB GLN A 84 16.468 -34.390 -7.544 1.00 17.61 C ATOM 1249 CG GLN A 84 14.867 -34.341 -7.642 1.00 20.32 C ATOM 1250 CD GLN A 84 14.331 -35.507 -8.606 1.00 29.94 C ATOM 1251 OE1 GLN A 84 14.881 -36.624 -8.576 1.00 31.29 O ATOM 1252 NE2 GLN A 84 13.300 -35.222 -9.485 1.00 35.60 N ATOM 1253 HA GLN A 84 16.713 -34.745 -9.635 1.00 0.00 H ATOM 1254 HB2 GLN A 84 16.781 -35.394 -7.258 1.00 0.00 H ATOM 1255 HB3 GLN A 84 16.805 -33.677 -6.791 1.00 0.00 H ATOM 1256 HG2 GLN A 84 14.442 -34.473 -6.647 1.00 0.00 H ATOM 1257 HG3 GLN A 84 14.560 -33.374 -8.042 1.00 0.00 H ATOM 1258 HE22 GLN A 84 12.862 -34.279 -9.484 1.00 0.00 H ATOM 1259 HE21 GLN A 84 12.964 -35.951 -10.146 1.00 0.00 H ATOM 1260 H GLN A 84 18.988 -33.954 -7.832 1.00 0.00 H ATOM 1261 N MET A 85 16.071 -32.559 -10.549 1.00 17.40 N ATOM 1262 CA MET A 85 15.784 -31.241 -11.072 1.00 17.19 C ATOM 1263 C MET A 85 14.250 -31.056 -11.110 1.00 20.05 C ATOM 1264 O MET A 85 13.589 -31.701 -11.914 1.00 20.77 O ATOM 1265 CB MET A 85 16.296 -31.192 -12.550 1.00 18.25 C ATOM 1266 CG MET A 85 17.813 -31.431 -12.571 1.00 18.11 C ATOM 1267 SD MET A 85 18.349 -31.647 -14.342 1.00 25.73 S ATOM 1268 CE MET A 85 18.432 -29.992 -14.731 1.00 25.24 C ATOM 1269 HA MET A 85 16.256 -30.473 -10.458 1.00 0.00 H ATOM 1270 HB2 MET A 85 15.797 -31.965 -13.134 1.00 0.00 H ATOM 1271 HB3 MET A 85 16.075 -30.215 -12.980 1.00 0.00 H ATOM 1272 HG2 MET A 85 18.053 -32.329 -12.001 1.00 0.00 H ATOM 1273 HG3 MET A 85 18.327 -30.576 -12.132 1.00 0.00 H ATOM 1274 HE1 MET A 85 17.451 -29.538 -14.592 1.00 0.00 H ATOM 1275 HE2 MET A 85 19.156 -29.503 -14.080 1.00 0.00 H ATOM 1276 HE3 MET A 85 18.742 -29.879 -15.770 1.00 0.00 H ATOM 1277 H MET A 85 15.765 -33.409 -11.065 1.00 0.00 H ATOM 1278 N ASP A 86 13.689 -30.255 -10.236 1.00 19.35 N ATOM 1279 CA ASP A 86 12.243 -29.968 -10.208 1.00 22.12 C ATOM 1280 C ASP A 86 11.896 -28.602 -10.697 1.00 21.38 C ATOM 1281 O ASP A 86 12.765 -27.728 -10.861 1.00 21.56 O ATOM 1282 CB ASP A 86 11.681 -30.129 -8.721 1.00 23.78 C ATOM 1283 CG ASP A 86 11.845 -31.533 -8.204 1.00 31.68 C ATOM 1284 OD1 ASP A 86 11.687 -32.525 -8.942 1.00 26.60 O ATOM 1285 OD2 ASP A 86 12.222 -31.734 -7.016 1.00 30.19 O ATOM 1286 HA ASP A 86 11.783 -30.688 -10.885 1.00 0.00 H ATOM 1287 HB2 ASP A 86 12.221 -29.447 -8.065 1.00 0.00 H ATOM 1288 HB3 ASP A 86 10.621 -29.873 -8.716 1.00 0.00 H ATOM 1289 H ASP A 86 14.296 -29.798 -9.526 1.00 0.00 H ATOM 1290 N SER A 87 10.602 -28.380 -11.056 1.00 20.70 N ATOM 1291 CA SER A 87 10.141 -27.070 -11.493 1.00 22.87 C ATOM 1292 C SER A 87 11.000 -26.529 -12.640 1.00 21.00 C ATOM 1293 O SER A 87 11.386 -25.319 -12.663 1.00 21.64 O ATOM 1294 CB SER A 87 10.109 -26.011 -10.361 1.00 26.87 C ATOM 1295 OG SER A 87 9.329 -26.524 -9.289 1.00 32.56 O ATOM 1296 HA SER A 87 9.117 -27.233 -11.829 1.00 0.00 H ATOM 1297 HB2 SER A 87 9.663 -25.088 -10.732 1.00 0.00 H ATOM 1298 HB3 SER A 87 11.123 -25.810 -10.016 1.00 0.00 H ATOM 1299 HG SER A 87 9.737 -27.363 -8.957 1.00 0.00 H ATOM 1300 H SER A 87 9.924 -29.168 -11.017 1.00 0.00 H ATOM 1301 N LEU A 88 11.254 -27.417 -13.626 1.00 20.64 N ATOM 1302 CA LEU A 88 12.102 -27.056 -14.777 1.00 20.91 C ATOM 1303 C LEU A 88 11.572 -25.892 -15.570 1.00 21.37 C ATOM 1304 O LEU A 88 10.333 -25.746 -15.720 1.00 21.74 O ATOM 1305 CB LEU A 88 12.302 -28.289 -15.703 1.00 19.13 C ATOM 1306 CG LEU A 88 13.277 -29.315 -15.047 1.00 20.75 C ATOM 1307 CD1 LEU A 88 13.216 -30.631 -15.846 1.00 22.26 C ATOM 1308 CD2 LEU A 88 14.729 -28.783 -15.057 1.00 22.03 C ATOM 1309 HA LEU A 88 13.061 -26.739 -14.367 1.00 0.00 H ATOM 1310 HB2 LEU A 88 11.338 -28.769 -15.874 1.00 0.00 H ATOM 1311 HB3 LEU A 88 12.717 -27.959 -16.655 1.00 0.00 H ATOM 1312 HG LEU A 88 12.977 -29.477 -14.012 1.00 0.00 H ATOM 1313 HD21 LEU A 88 15.044 -28.609 -16.086 1.00 0.00 H ATOM 1314 HD22 LEU A 88 14.776 -27.848 -14.498 1.00 0.00 H ATOM 1315 HD23 LEU A 88 15.387 -29.518 -14.594 1.00 0.00 H ATOM 1316 HD11 LEU A 88 12.198 -31.020 -15.826 1.00 0.00 H ATOM 1317 HD12 LEU A 88 13.514 -30.442 -16.877 1.00 0.00 H ATOM 1318 HD13 LEU A 88 13.893 -31.358 -15.398 1.00 0.00 H ATOM 1319 H LEU A 88 10.844 -28.371 -13.572 1.00 0.00 H ATOM 1320 N LYS A 89 12.503 -25.047 -16.025 1.00 20.50 N ATOM 1321 CA LYS A 89 12.145 -23.879 -16.855 1.00 23.04 C ATOM 1322 C LYS A 89 12.866 -23.968 -18.164 1.00 22.83 C ATOM 1323 O LYS A 89 13.951 -24.551 -18.257 1.00 21.40 O ATOM 1324 CB LYS A 89 12.605 -22.573 -16.143 1.00 25.60 C ATOM 1325 CG LYS A 89 12.129 -22.446 -14.720 1.00 32.84 C ATOM 1326 CD LYS A 89 12.809 -21.190 -14.134 1.00 39.57 C ATOM 1327 CE LYS A 89 12.345 -21.029 -12.708 1.00 43.76 C ATOM 1328 NZ LYS A 89 12.970 -19.785 -12.195 1.00 46.57 N ATOM 1329 HA LYS A 89 11.066 -23.867 -17.008 1.00 0.00 H ATOM 1330 HB2 LYS A 89 13.695 -22.549 -16.143 1.00 0.00 H ATOM 1331 HB3 LYS A 89 12.224 -21.723 -16.708 1.00 0.00 H ATOM 1332 HG2 LYS A 89 11.045 -22.333 -14.695 1.00 0.00 H ATOM 1333 HG3 LYS A 89 12.414 -23.329 -14.148 1.00 0.00 H ATOM 1334 HD2 LYS A 89 13.892 -21.310 -14.159 1.00 0.00 H ATOM 1335 HD3 LYS A 89 12.528 -20.312 -14.716 1.00 0.00 H ATOM 1336 HE2 LYS A 89 12.662 -21.884 -12.110 1.00 0.00 H ATOM 1337 HE3 LYS A 89 11.259 -20.946 -12.673 1.00 0.00 H ATOM 1338 HZ1 LYS A 89 14.005 -19.874 -12.240 1.00 0.00 H ATOM 1339 HZ2 LYS A 89 12.665 -18.979 -12.777 1.00 0.00 H ATOM 1340 HZ3 LYS A 89 12.677 -19.632 -11.209 1.00 0.00 H ATOM 1341 H LYS A 89 13.502 -25.216 -15.789 1.00 0.00 H ATOM 1342 N PRO A 90 12.341 -23.290 -19.176 1.00 24.17 N ATOM 1343 CA PRO A 90 13.046 -23.177 -20.459 1.00 24.39 C ATOM 1344 C PRO A 90 14.525 -22.784 -20.311 1.00 23.61 C ATOM 1345 O PRO A 90 15.358 -23.301 -21.055 1.00 23.12 O ATOM 1346 CB PRO A 90 12.277 -22.066 -21.177 1.00 26.25 C ATOM 1347 CG PRO A 90 10.904 -22.141 -20.612 1.00 27.22 C ATOM 1348 CD PRO A 90 11.072 -22.541 -19.173 1.00 26.14 C ATOM 1349 HA PRO A 90 13.068 -24.130 -20.987 1.00 0.00 H ATOM 1350 HD3 PRO A 90 11.137 -21.664 -18.529 1.00 0.00 H ATOM 1351 HD2 PRO A 90 10.246 -23.172 -18.844 1.00 0.00 H ATOM 1352 HG3 PRO A 90 10.314 -22.886 -21.146 1.00 0.00 H ATOM 1353 HG2 PRO A 90 10.412 -21.171 -20.681 1.00 0.00 H ATOM 1354 HB2 PRO A 90 12.725 -21.093 -20.974 1.00 0.00 H ATOM 1355 HB3 PRO A 90 12.262 -22.240 -22.253 1.00 0.00 H ATOM 1356 N GLU A 91 14.829 -21.961 -19.388 1.00 24.56 N ATOM 1357 CA GLU A 91 16.160 -21.476 -19.127 1.00 26.42 C ATOM 1358 C GLU A 91 17.133 -22.525 -18.595 1.00 23.92 C ATOM 1359 O GLU A 91 18.299 -22.335 -18.576 1.00 22.67 O ATOM 1360 CB GLU A 91 16.033 -20.325 -18.150 1.00 31.50 C ATOM 1361 CG GLU A 91 15.285 -19.162 -18.780 1.00 40.09 C ATOM 1362 CD GLU A 91 13.715 -19.165 -18.738 1.00 59.25 C ATOM 1363 OE1 GLU A 91 13.028 -20.071 -18.276 1.00 62.53 O ATOM 1364 OE2 GLU A 91 13.188 -18.144 -19.249 1.00 65.14 O ATOM 1365 HA GLU A 91 16.594 -21.167 -20.078 1.00 0.00 H ATOM 1366 HB2 GLU A 91 15.490 -20.663 -17.267 1.00 0.00 H ATOM 1367 HB3 GLU A 91 17.029 -19.993 -17.857 1.00 0.00 H ATOM 1368 HG2 GLU A 91 15.618 -18.255 -18.276 1.00 0.00 H ATOM 1369 HG3 GLU A 91 15.578 -19.122 -19.829 1.00 0.00 H ATOM 1370 H GLU A 91 14.061 -21.614 -18.779 1.00 0.00 H ATOM 1371 N ASP A 92 16.616 -23.584 -18.142 1.00 20.63 N ATOM 1372 CA ASP A 92 17.492 -24.691 -17.704 1.00 18.34 C ATOM 1373 C ASP A 92 18.004 -25.567 -18.874 1.00 19.16 C ATOM 1374 O ASP A 92 18.771 -26.507 -18.658 1.00 18.42 O ATOM 1375 CB ASP A 92 16.732 -25.632 -16.751 1.00 18.22 C ATOM 1376 CG ASP A 92 16.279 -24.925 -15.431 1.00 20.70 C ATOM 1377 OD1 ASP A 92 17.121 -24.192 -14.892 1.00 20.45 O ATOM 1378 OD2 ASP A 92 15.113 -25.133 -15.025 1.00 22.03 O ATOM 1379 HA ASP A 92 18.341 -24.210 -17.218 1.00 0.00 H ATOM 1380 HB2 ASP A 92 15.848 -26.009 -17.265 1.00 0.00 H ATOM 1381 HB3 ASP A 92 17.384 -26.467 -16.493 1.00 0.00 H ATOM 1382 H ASP A 92 15.582 -23.677 -18.078 1.00 0.00 H ATOM 1383 N THR A 93 17.566 -25.287 -20.095 1.00 16.48 N ATOM 1384 CA THR A 93 18.011 -26.108 -21.228 1.00 15.80 C ATOM 1385 C THR A 93 19.503 -25.967 -21.443 1.00 17.18 C ATOM 1386 O THR A 93 20.044 -24.797 -21.579 1.00 18.76 O ATOM 1387 CB THR A 93 17.294 -25.655 -22.495 1.00 17.42 C ATOM 1388 OG1 THR A 93 15.891 -25.800 -22.340 1.00 18.17 O ATOM 1389 CG2 THR A 93 17.897 -26.290 -23.802 1.00 15.68 C ATOM 1390 HA THR A 93 17.778 -27.150 -21.007 1.00 0.00 H ATOM 1391 HB THR A 93 17.473 -24.590 -22.640 1.00 0.00 H ATOM 1392 HG1 THR A 93 15.585 -25.247 -21.578 1.00 0.00 H ATOM 1393 HG23 THR A 93 18.974 -26.123 -23.822 1.00 0.00 H ATOM 1394 HG21 THR A 93 17.694 -27.361 -23.811 1.00 0.00 H ATOM 1395 HG22 THR A 93 17.440 -25.824 -24.675 1.00 0.00 H ATOM 1396 H THR A 93 16.913 -24.492 -20.248 1.00 0.00 H ATOM 1397 N ALA A 94 20.192 -27.081 -21.521 1.00 15.83 N ATOM 1398 CA ALA A 94 21.687 -27.077 -21.629 1.00 15.63 C ATOM 1399 C ALA A 94 22.190 -28.515 -21.698 1.00 16.56 C ATOM 1400 O ALA A 94 21.424 -29.486 -21.409 1.00 16.79 O ATOM 1401 CB ALA A 94 22.353 -26.385 -20.323 1.00 17.00 C ATOM 1402 HA ALA A 94 21.963 -26.519 -22.524 1.00 0.00 H ATOM 1403 HB1 ALA A 94 22.002 -25.356 -20.240 1.00 0.00 H ATOM 1404 HB2 ALA A 94 22.065 -26.942 -19.431 1.00 0.00 H ATOM 1405 HB3 ALA A 94 23.438 -26.393 -20.423 1.00 0.00 H ATOM 1406 H ALA A 94 19.688 -27.990 -21.508 1.00 0.00 H ATOM 1407 N VAL A 95 23.495 -28.679 -22.054 1.00 15.03 N ATOM 1408 CA VAL A 95 24.141 -29.935 -21.820 1.00 15.56 C ATOM 1409 C VAL A 95 24.651 -29.915 -20.343 1.00 16.83 C ATOM 1410 O VAL A 95 25.358 -28.945 -19.975 1.00 15.84 O ATOM 1411 CB VAL A 95 25.325 -30.094 -22.791 1.00 18.33 C ATOM 1412 CG1 VAL A 95 26.096 -31.332 -22.448 1.00 16.91 C ATOM 1413 CG2 VAL A 95 24.656 -30.218 -24.248 1.00 18.18 C ATOM 1414 HA VAL A 95 23.458 -30.769 -21.980 1.00 0.00 H ATOM 1415 HB VAL A 95 26.024 -29.259 -22.743 1.00 0.00 H ATOM 1416 HG11 VAL A 95 26.472 -31.253 -21.428 1.00 0.00 H ATOM 1417 HG12 VAL A 95 25.442 -32.200 -22.529 1.00 0.00 H ATOM 1418 HG13 VAL A 95 26.933 -31.440 -23.138 1.00 0.00 H ATOM 1419 HG21 VAL A 95 23.997 -31.086 -24.271 1.00 0.00 H ATOM 1420 HG22 VAL A 95 24.080 -29.317 -24.460 1.00 0.00 H ATOM 1421 HG23 VAL A 95 25.439 -30.335 -24.997 1.00 0.00 H ATOM 1422 H VAL A 95 24.019 -27.896 -22.494 1.00 0.00 H ATOM 1423 N TYR A 96 24.327 -30.957 -19.568 1.00 15.15 N ATOM 1424 CA TYR A 96 24.767 -31.048 -18.172 1.00 14.82 C ATOM 1425 C TYR A 96 25.905 -32.011 -18.041 1.00 15.85 C ATOM 1426 O TYR A 96 25.860 -33.147 -18.578 1.00 16.23 O ATOM 1427 CB TYR A 96 23.590 -31.542 -17.246 1.00 14.25 C ATOM 1428 CG TYR A 96 22.560 -30.413 -17.025 1.00 16.51 C ATOM 1429 CD1 TYR A 96 22.474 -29.826 -15.732 1.00 15.82 C ATOM 1430 CD2 TYR A 96 21.750 -29.906 -18.084 1.00 13.99 C ATOM 1431 CE1 TYR A 96 21.613 -28.806 -15.491 1.00 16.12 C ATOM 1432 CE2 TYR A 96 20.867 -28.875 -17.825 1.00 16.34 C ATOM 1433 CZ TYR A 96 20.804 -28.338 -16.523 1.00 15.86 C ATOM 1434 OH TYR A 96 19.924 -27.275 -16.329 1.00 16.36 O ATOM 1435 HA TYR A 96 25.085 -30.052 -17.864 1.00 0.00 H ATOM 1436 HB3 TYR A 96 23.997 -31.849 -16.283 1.00 0.00 H ATOM 1437 HB2 TYR A 96 23.095 -32.391 -17.718 1.00 0.00 H ATOM 1438 HD2 TYR A 96 21.827 -30.327 -19.086 1.00 0.00 H ATOM 1439 HE2 TYR A 96 20.228 -28.483 -18.616 1.00 0.00 H ATOM 1440 HE1 TYR A 96 21.555 -28.357 -14.499 1.00 0.00 H ATOM 1441 HD1 TYR A 96 23.106 -30.200 -14.927 1.00 0.00 H ATOM 1442 HH TYR A 96 20.181 -26.523 -16.920 1.00 0.00 H ATOM 1443 H TYR A 96 23.747 -31.723 -19.967 1.00 0.00 H ATOM 1444 N TYR A 97 26.937 -31.608 -17.290 1.00 14.93 N ATOM 1445 CA TYR A 97 28.099 -32.472 -17.117 1.00 15.37 C ATOM 1446 C TYR A 97 28.341 -32.766 -15.657 1.00 15.82 C ATOM 1447 O TYR A 97 28.156 -31.870 -14.807 1.00 18.01 O ATOM 1448 CB TYR A 97 29.391 -31.615 -17.427 1.00 17.55 C ATOM 1449 CG TYR A 97 29.447 -31.198 -18.922 1.00 16.49 C ATOM 1450 CD1 TYR A 97 28.926 -29.980 -19.363 1.00 19.16 C ATOM 1451 CD2 TYR A 97 30.061 -32.067 -19.848 1.00 20.46 C ATOM 1452 CE1 TYR A 97 28.982 -29.637 -20.703 1.00 19.33 C ATOM 1453 CE2 TYR A 97 30.118 -31.720 -21.218 1.00 21.39 C ATOM 1454 CZ TYR A 97 29.508 -30.520 -21.596 1.00 25.51 C ATOM 1455 OH TYR A 97 29.583 -30.162 -22.935 1.00 26.31 O ATOM 1456 HA TYR A 97 27.929 -33.356 -17.731 1.00 0.00 H ATOM 1457 HB3 TYR A 97 30.275 -32.207 -17.190 1.00 0.00 H ATOM 1458 HB2 TYR A 97 29.379 -30.718 -16.808 1.00 0.00 H ATOM 1459 HD2 TYR A 97 30.493 -33.008 -19.507 1.00 0.00 H ATOM 1460 HE2 TYR A 97 30.615 -32.360 -21.947 1.00 0.00 H ATOM 1461 HE1 TYR A 97 28.609 -28.670 -21.040 1.00 0.00 H ATOM 1462 HD1 TYR A 97 28.472 -29.295 -18.647 1.00 0.00 H ATOM 1463 HH TYR A 97 29.153 -30.862 -23.487 1.00 0.00 H ATOM 1464 H TYR A 97 26.910 -30.676 -16.829 1.00 0.00 H ATOM 1465 N CYS A 98 28.794 -33.961 -15.385 1.00 14.74 N ATOM 1466 CA CYS A 98 29.252 -34.182 -14.004 1.00 16.09 C ATOM 1467 C CYS A 98 30.788 -34.161 -13.970 1.00 16.83 C ATOM 1468 O CYS A 98 31.459 -34.300 -14.985 1.00 17.86 O ATOM 1469 CB CYS A 98 28.673 -35.468 -13.435 1.00 17.09 C ATOM 1470 SG CYS A 98 29.217 -36.988 -14.234 1.00 19.94 S ATOM 1471 HA CYS A 98 28.889 -33.378 -13.364 1.00 0.00 H ATOM 1472 HB2 CYS A 98 27.588 -35.414 -13.520 1.00 0.00 H ATOM 1473 HB3 CYS A 98 28.951 -35.524 -12.383 1.00 0.00 H ATOM 1474 H CYS A 98 28.829 -34.713 -16.103 1.00 0.00 H ATOM 1475 N ALA A 99 31.294 -33.859 -12.782 1.00 14.98 N ATOM 1476 CA ALA A 99 32.770 -33.630 -12.657 1.00 15.70 C ATOM 1477 C ALA A 99 33.164 -34.021 -11.256 1.00 16.64 C ATOM 1478 O ALA A 99 32.313 -34.006 -10.314 1.00 17.45 O ATOM 1479 CB ALA A 99 32.994 -32.070 -12.797 1.00 18.21 C ATOM 1480 HA ALA A 99 33.339 -34.191 -13.398 1.00 0.00 H ATOM 1481 HB1 ALA A 99 32.628 -31.737 -13.768 1.00 0.00 H ATOM 1482 HB2 ALA A 99 32.450 -31.554 -12.006 1.00 0.00 H ATOM 1483 HB3 ALA A 99 34.058 -31.848 -12.713 1.00 0.00 H ATOM 1484 H ALA A 99 30.676 -33.782 -11.949 1.00 0.00 H ATOM 1485 N ALA A 100 34.432 -34.456 -11.100 1.00 16.59 N ATOM 1486 CA ALA A 100 34.920 -34.854 -9.755 1.00 16.25 C ATOM 1487 C ALA A 100 36.166 -33.996 -9.461 1.00 16.59 C ATOM 1488 O ALA A 100 36.994 -33.820 -10.340 1.00 18.50 O ATOM 1489 CB ALA A 100 35.318 -36.345 -9.823 1.00 18.46 C ATOM 1490 HA ALA A 100 34.167 -34.711 -8.980 1.00 0.00 H ATOM 1491 HB1 ALA A 100 34.448 -36.939 -10.103 1.00 0.00 H ATOM 1492 HB2 ALA A 100 36.104 -36.476 -10.567 1.00 0.00 H ATOM 1493 HB3 ALA A 100 35.681 -36.668 -8.847 1.00 0.00 H ATOM 1494 H ALA A 100 35.067 -34.512 -11.921 1.00 0.00 H ATOM 1495 N ASP A 101 36.290 -33.523 -8.216 1.00 17.12 N ATOM 1496 CA ASP A 101 37.380 -32.647 -7.823 1.00 17.32 C ATOM 1497 C ASP A 101 37.840 -33.168 -6.485 1.00 16.09 C ATOM 1498 O ASP A 101 37.046 -33.455 -5.601 1.00 17.74 O ATOM 1499 CB ASP A 101 36.806 -31.222 -7.615 1.00 17.24 C ATOM 1500 CG ASP A 101 37.909 -30.133 -7.575 1.00 20.30 C ATOM 1501 OD1 ASP A 101 39.022 -30.417 -7.074 1.00 19.49 O ATOM 1502 OD2 ASP A 101 37.616 -29.002 -7.970 1.00 22.99 O ATOM 1503 HA ASP A 101 38.182 -32.618 -8.561 1.00 0.00 H ATOM 1504 HB2 ASP A 101 36.123 -30.998 -8.435 1.00 0.00 H ATOM 1505 HB3 ASP A 101 36.259 -31.200 -6.672 1.00 0.00 H ATOM 1506 H ASP A 101 35.581 -33.792 -7.504 1.00 0.00 H ATOM 1507 N ASP A 102 39.158 -33.207 -6.299 1.00 19.13 N ATOM 1508 CA ASP A 102 39.626 -33.523 -4.949 1.00 20.59 C ATOM 1509 C ASP A 102 39.434 -32.430 -3.940 1.00 21.15 C ATOM 1510 O ASP A 102 39.688 -32.669 -2.748 1.00 24.40 O ATOM 1511 CB ASP A 102 41.106 -33.914 -4.907 1.00 22.82 C ATOM 1512 CG ASP A 102 42.014 -32.853 -5.488 1.00 29.25 C ATOM 1513 OD1 ASP A 102 41.657 -31.774 -6.029 1.00 31.62 O ATOM 1514 OD2 ASP A 102 43.234 -33.156 -5.413 1.00 40.71 O ATOM 1515 HA ASP A 102 38.991 -34.366 -4.677 1.00 0.00 H ATOM 1516 HB2 ASP A 102 41.391 -34.085 -3.869 1.00 0.00 H ATOM 1517 HB3 ASP A 102 41.239 -34.835 -5.475 1.00 0.00 H ATOM 1518 H ASP A 102 39.823 -33.022 -7.077 1.00 0.00 H ATOM 1519 N ASN A 103 38.917 -31.309 -4.317 1.00 17.14 N ATOM 1520 CA ASN A 103 38.696 -30.191 -3.374 1.00 17.61 C ATOM 1521 C ASN A 103 37.279 -29.584 -3.556 1.00 16.30 C ATOM 1522 O ASN A 103 36.909 -29.197 -4.665 1.00 16.44 O ATOM 1523 CB ASN A 103 39.746 -29.096 -3.696 1.00 17.43 C ATOM 1524 CG ASN A 103 39.706 -27.976 -2.700 1.00 17.52 C ATOM 1525 OD1 ASN A 103 38.938 -27.022 -2.788 1.00 19.50 O ATOM 1526 ND2 ASN A 103 40.643 -28.072 -1.678 1.00 18.85 N ATOM 1527 HA ASN A 103 38.788 -30.554 -2.350 1.00 0.00 H ATOM 1528 HB2 ASN A 103 40.739 -29.545 -3.683 1.00 0.00 H ATOM 1529 HB3 ASN A 103 39.543 -28.693 -4.688 1.00 0.00 H ATOM 1530 HD22 ASN A 103 41.279 -28.893 -1.631 1.00 0.00 H ATOM 1531 HD21 ASN A 103 40.708 -27.323 -0.960 1.00 0.00 H ATOM 1532 H ASN A 103 38.648 -31.188 -5.314 1.00 0.00 H ATOM 1533 N TYR A 104 36.536 -29.560 -2.458 1.00 16.12 N ATOM 1534 CA TYR A 104 35.177 -29.039 -2.539 1.00 16.96 C ATOM 1535 C TYR A 104 35.133 -27.543 -2.900 1.00 16.19 C ATOM 1536 O TYR A 104 34.184 -27.102 -3.584 1.00 16.38 O ATOM 1537 CB TYR A 104 34.438 -29.341 -1.197 1.00 14.48 C ATOM 1538 CG TYR A 104 33.049 -28.744 -1.066 1.00 14.98 C ATOM 1539 CD1 TYR A 104 32.007 -29.280 -1.833 1.00 15.93 C ATOM 1540 CD2 TYR A 104 32.777 -27.736 -0.115 1.00 18.13 C ATOM 1541 CE1 TYR A 104 30.725 -28.753 -1.649 1.00 16.91 C ATOM 1542 CE2 TYR A 104 31.511 -27.211 0.070 1.00 18.45 C ATOM 1543 CZ TYR A 104 30.477 -27.773 -0.717 1.00 19.63 C ATOM 1544 OH TYR A 104 29.233 -27.191 -0.602 1.00 21.07 O ATOM 1545 HA TYR A 104 34.661 -29.544 -3.355 1.00 0.00 H ATOM 1546 HB3 TYR A 104 35.049 -28.952 -0.382 1.00 0.00 H ATOM 1547 HB2 TYR A 104 34.349 -30.423 -1.099 1.00 0.00 H ATOM 1548 HD2 TYR A 104 33.596 -27.357 0.496 1.00 0.00 H ATOM 1549 HE2 TYR A 104 31.320 -26.409 0.783 1.00 0.00 H ATOM 1550 HE1 TYR A 104 29.903 -29.128 -2.259 1.00 0.00 H ATOM 1551 HD1 TYR A 104 32.189 -30.081 -2.549 1.00 0.00 H ATOM 1552 HH TYR A 104 29.290 -26.239 -0.867 1.00 0.00 H ATOM 1553 H TYR A 104 36.916 -29.907 -1.554 1.00 0.00 H ATOM 1554 N VAL A 105 36.114 -26.747 -2.414 1.00 16.21 N ATOM 1555 CA VAL A 105 35.988 -25.283 -2.708 1.00 16.23 C ATOM 1556 C VAL A 105 36.149 -25.083 -4.212 1.00 17.53 C ATOM 1557 O VAL A 105 35.445 -24.234 -4.790 1.00 20.37 O ATOM 1558 CB VAL A 105 37.065 -24.574 -1.893 1.00 17.48 C ATOM 1559 CG1 VAL A 105 36.981 -22.998 -2.256 1.00 18.66 C ATOM 1560 CG2 VAL A 105 36.687 -24.769 -0.397 1.00 19.66 C ATOM 1561 HA VAL A 105 35.018 -24.870 -2.431 1.00 0.00 H ATOM 1562 HB VAL A 105 38.065 -24.957 -2.096 1.00 0.00 H ATOM 1563 HG11 VAL A 105 37.156 -22.862 -3.323 1.00 0.00 H ATOM 1564 HG12 VAL A 105 35.992 -22.619 -1.997 1.00 0.00 H ATOM 1565 HG13 VAL A 105 37.739 -22.455 -1.691 1.00 0.00 H ATOM 1566 HG21 VAL A 105 35.706 -24.331 -0.211 1.00 0.00 H ATOM 1567 HG22 VAL A 105 36.661 -25.834 -0.166 1.00 0.00 H ATOM 1568 HG23 VAL A 105 37.430 -24.278 0.231 1.00 0.00 H ATOM 1569 H VAL A 105 36.911 -27.130 -1.867 1.00 0.00 H ATOM 1570 N THR A 106 37.080 -25.806 -4.844 1.00 17.07 N ATOM 1571 CA THR A 106 37.323 -25.535 -6.247 1.00 16.00 C ATOM 1572 C THR A 106 36.415 -26.305 -7.197 1.00 18.70 C ATOM 1573 O THR A 106 36.454 -26.102 -8.426 1.00 18.56 O ATOM 1574 CB THR A 106 38.760 -25.849 -6.694 1.00 19.29 C ATOM 1575 OG1 THR A 106 39.057 -27.240 -6.523 1.00 21.22 O ATOM 1576 CG2 THR A 106 39.765 -24.912 -5.902 1.00 20.38 C ATOM 1577 HA THR A 106 37.119 -24.466 -6.311 1.00 0.00 H ATOM 1578 HB THR A 106 38.870 -25.643 -7.759 1.00 0.00 H ATOM 1579 HG1 THR A 106 39.986 -27.417 -6.817 1.00 0.00 H ATOM 1580 HG23 THR A 106 39.494 -23.869 -6.067 1.00 0.00 H ATOM 1581 HG21 THR A 106 39.709 -25.139 -4.837 1.00 0.00 H ATOM 1582 HG22 THR A 106 40.780 -25.086 -6.259 1.00 0.00 H ATOM 1583 H THR A 106 37.615 -26.543 -4.342 1.00 0.00 H ATOM 1584 N ALA A 107 35.561 -27.145 -6.617 1.00 16.49 N ATOM 1585 CA ALA A 107 34.665 -27.975 -7.505 1.00 18.68 C ATOM 1586 C ALA A 107 33.651 -27.136 -8.267 1.00 19.63 C ATOM 1587 O ALA A 107 33.020 -27.670 -9.205 1.00 21.23 O ATOM 1588 CB ALA A 107 33.997 -29.032 -6.657 1.00 16.00 C ATOM 1589 HA ALA A 107 35.275 -28.451 -8.273 1.00 0.00 H ATOM 1590 HB1 ALA A 107 34.758 -29.664 -6.200 1.00 0.00 H ATOM 1591 HB2 ALA A 107 33.407 -28.551 -5.877 1.00 0.00 H ATOM 1592 HB3 ALA A 107 33.346 -29.641 -7.284 1.00 0.00 H ATOM 1593 H ALA A 107 35.512 -27.227 -5.581 1.00 0.00 H ATOM 1594 N SER A 108 33.435 -25.891 -7.852 1.00 18.46 N ATOM 1595 CA SER A 108 32.571 -25.020 -8.619 1.00 18.67 C ATOM 1596 C SER A 108 33.306 -24.142 -9.622 1.00 19.63 C ATOM 1597 O SER A 108 32.655 -23.325 -10.300 1.00 21.62 O ATOM 1598 CB SER A 108 31.750 -24.169 -7.634 1.00 20.25 C ATOM 1599 OG SER A 108 32.656 -23.519 -6.713 1.00 20.79 O ATOM 1600 HA SER A 108 31.920 -25.648 -9.228 1.00 0.00 H ATOM 1601 HB2 SER A 108 31.062 -24.809 -7.081 1.00 0.00 H ATOM 1602 HB3 SER A 108 31.183 -23.417 -8.183 1.00 0.00 H ATOM 1603 HG SER A 108 32.137 -22.969 -6.075 1.00 0.00 H ATOM 1604 H SER A 108 33.885 -25.545 -6.980 1.00 0.00 H ATOM 1605 N TRP A 109 34.617 -24.260 -9.699 1.00 21.35 N ATOM 1606 CA TRP A 109 35.425 -23.492 -10.677 1.00 21.75 C ATOM 1607 C TRP A 109 35.517 -24.335 -11.959 1.00 22.17 C ATOM 1608 O TRP A 109 35.749 -25.530 -11.923 1.00 20.80 O ATOM 1609 CB TRP A 109 36.866 -23.344 -10.167 1.00 21.73 C ATOM 1610 CG TRP A 109 37.007 -22.567 -8.815 1.00 21.92 C ATOM 1611 CD1 TRP A 109 35.996 -22.039 -8.043 1.00 23.78 C ATOM 1612 CD2 TRP A 109 38.218 -22.200 -8.203 1.00 20.68 C ATOM 1613 NE1 TRP A 109 36.552 -21.415 -6.910 1.00 22.22 N ATOM 1614 CE2 TRP A 109 37.912 -21.521 -6.996 1.00 25.17 C ATOM 1615 CE3 TRP A 109 39.548 -22.391 -8.553 1.00 22.18 C ATOM 1616 CZ2 TRP A 109 38.898 -21.021 -6.154 1.00 22.51 C ATOM 1617 CZ3 TRP A 109 40.536 -21.878 -7.698 1.00 25.35 C ATOM 1618 CH2 TRP A 109 40.209 -21.236 -6.542 1.00 21.87 C ATOM 1619 HA TRP A 109 34.968 -22.515 -10.836 1.00 0.00 H ATOM 1620 HB2 TRP A 109 37.282 -24.342 -10.030 1.00 0.00 H ATOM 1621 HB3 TRP A 109 37.442 -22.813 -10.925 1.00 0.00 H ATOM 1622 HE1 TRP A 109 36.022 -20.955 -6.143 1.00 0.00 H ATOM 1623 HD1 TRP A 109 34.932 -22.095 -8.273 1.00 0.00 H ATOM 1624 HZ2 TRP A 109 38.652 -20.487 -5.236 1.00 0.00 H ATOM 1625 HH2 TRP A 109 41.011 -20.878 -5.897 1.00 0.00 H ATOM 1626 HZ3 TRP A 109 41.586 -21.996 -7.965 1.00 0.00 H ATOM 1627 HE3 TRP A 109 39.817 -22.924 -9.465 1.00 0.00 H ATOM 1628 H TRP A 109 35.101 -24.914 -9.052 1.00 0.00 H ATOM 1629 N ARG A 110 35.548 -23.638 -13.111 1.00 23.18 N ATOM 1630 CA ARG A 110 35.520 -24.314 -14.381 1.00 25.29 C ATOM 1631 C ARG A 110 36.776 -25.188 -14.479 1.00 26.90 C ATOM 1632 O ARG A 110 36.728 -26.245 -14.969 1.00 30.73 O ATOM 1633 CB ARG A 110 35.436 -23.232 -15.467 1.00 25.06 C ATOM 1634 CG ARG A 110 35.625 -23.786 -16.818 1.00 28.75 C ATOM 1635 CD ARG A 110 34.452 -24.730 -17.181 1.00 31.29 C ATOM 1636 NE ARG A 110 34.676 -25.312 -18.542 1.00 31.42 N ATOM 1637 CZ ARG A 110 35.527 -26.321 -18.822 1.00 32.52 C ATOM 1638 NH1 ARG A 110 36.377 -26.827 -17.947 1.00 31.88 N ATOM 1639 NH2 ARG A 110 35.628 -26.740 -20.109 1.00 35.46 N ATOM 1640 HA ARG A 110 34.662 -24.975 -14.503 1.00 0.00 H ATOM 1641 HB2 ARG A 110 34.456 -22.758 -15.415 1.00 0.00 H ATOM 1642 HB3 ARG A 110 36.209 -22.487 -15.281 1.00 0.00 H ATOM 1643 HG2 ARG A 110 35.666 -22.970 -17.539 1.00 0.00 H ATOM 1644 HG3 ARG A 110 36.560 -24.345 -16.850 1.00 0.00 H ATOM 1645 HD2 ARG A 110 33.519 -24.167 -17.176 1.00 0.00 H ATOM 1646 HD3 ARG A 110 34.393 -25.534 -16.448 1.00 0.00 H ATOM 1647 HE ARG A 110 34.134 -24.908 -19.332 1.00 0.00 H ATOM 1648 HH12 ARG A 110 37.008 -27.606 -18.225 1.00 0.00 H ATOM 1649 HH11 ARG A 110 36.416 -26.447 -16.980 1.00 0.00 H ATOM 1650 HH22 ARG A 110 36.276 -27.516 -20.354 1.00 0.00 H ATOM 1651 HH21 ARG A 110 35.057 -26.285 -20.850 1.00 0.00 H ATOM 1652 H ARG A 110 35.593 -22.599 -13.082 1.00 0.00 H ATOM 1653 N SER A 111 37.880 -24.684 -13.929 1.00 29.25 N ATOM 1654 CA SER A 111 39.108 -25.348 -13.905 1.00 32.74 C ATOM 1655 C SER A 111 39.442 -26.239 -12.740 1.00 31.47 C ATOM 1656 O SER A 111 40.486 -26.937 -12.752 1.00 33.58 O ATOM 1657 CB SER A 111 40.220 -24.250 -13.991 1.00 36.29 C ATOM 1658 OG SER A 111 40.931 -24.648 -15.155 1.00 42.93 O ATOM 1659 HA SER A 111 39.045 -26.044 -14.741 1.00 0.00 H ATOM 1660 HB2 SER A 111 40.861 -24.264 -13.110 1.00 0.00 H ATOM 1661 HB3 SER A 111 39.789 -23.256 -14.109 1.00 0.00 H ATOM 1662 HG SER A 111 41.676 -24.016 -15.317 1.00 0.00 H ATOM 1663 H SER A 111 37.824 -23.742 -13.492 1.00 0.00 H ATOM 1664 N GLY A 112 38.530 -26.336 -11.785 1.00 24.89 N ATOM 1665 CA GLY A 112 38.834 -27.033 -10.553 1.00 23.11 C ATOM 1666 C GLY A 112 38.856 -28.537 -10.736 1.00 21.91 C ATOM 1667 O GLY A 112 39.794 -29.218 -10.415 1.00 21.36 O ATOM 1668 HA3 GLY A 112 38.077 -26.781 -9.811 1.00 0.00 H ATOM 1669 HA2 GLY A 112 39.812 -26.708 -10.198 1.00 0.00 H ATOM 1670 H GLY A 112 37.591 -25.910 -11.920 1.00 0.00 H ATOM 1671 N PRO A 113 37.768 -29.109 -11.314 1.00 19.77 N ATOM 1672 CA PRO A 113 37.744 -30.555 -11.357 1.00 19.01 C ATOM 1673 C PRO A 113 38.819 -31.209 -12.168 1.00 23.68 C ATOM 1674 O PRO A 113 39.323 -30.661 -13.158 1.00 24.92 O ATOM 1675 CB PRO A 113 36.362 -30.880 -12.042 1.00 20.34 C ATOM 1676 CG PRO A 113 35.504 -29.740 -11.486 1.00 20.24 C ATOM 1677 CD PRO A 113 36.463 -28.482 -11.536 1.00 20.69 C ATOM 1678 HA PRO A 113 37.896 -30.935 -10.347 1.00 0.00 H ATOM 1679 HD3 PRO A 113 36.419 -27.984 -12.504 1.00 0.00 H ATOM 1680 HD2 PRO A 113 36.225 -27.766 -10.749 1.00 0.00 H ATOM 1681 HG3 PRO A 113 35.194 -29.951 -10.463 1.00 0.00 H ATOM 1682 HG2 PRO A 113 34.622 -29.580 -12.106 1.00 0.00 H ATOM 1683 HB2 PRO A 113 36.431 -30.839 -13.129 1.00 0.00 H ATOM 1684 HB3 PRO A 113 35.982 -31.856 -11.740 1.00 0.00 H ATOM 1685 N ASP A 119 39.083 -32.490 -11.702 1.00 20.19 N ATOM 1686 CA ASP A 119 40.142 -33.285 -12.264 1.00 25.16 C ATOM 1687 C ASP A 119 39.545 -34.252 -13.315 1.00 24.68 C ATOM 1688 O ASP A 119 40.278 -34.773 -14.198 1.00 24.88 O ATOM 1689 CB ASP A 119 40.680 -34.099 -11.119 1.00 24.76 C ATOM 1690 CG ASP A 119 41.373 -33.206 -10.049 1.00 34.89 C ATOM 1691 OD1 ASP A 119 40.773 -32.797 -8.992 1.00 29.56 O ATOM 1692 OD2 ASP A 119 42.535 -32.816 -10.360 1.00 32.34 O ATOM 1693 HA ASP A 119 40.908 -32.671 -12.738 1.00 0.00 H ATOM 1694 HB2 ASP A 119 39.856 -34.636 -10.650 1.00 0.00 H ATOM 1695 HB3 ASP A 119 41.406 -34.815 -11.505 1.00 0.00 H ATOM 1696 H ASP A 119 38.504 -32.882 -10.932 1.00 0.00 H ATOM 1697 N TYR A 120 38.243 -34.513 -13.240 1.00 20.54 N ATOM 1698 CA TYR A 120 37.643 -35.487 -14.161 1.00 20.88 C ATOM 1699 C TYR A 120 36.286 -34.968 -14.572 1.00 19.39 C ATOM 1700 O TYR A 120 35.587 -34.381 -13.745 1.00 18.91 O ATOM 1701 CB TYR A 120 37.330 -36.838 -13.503 1.00 22.33 C ATOM 1702 CG TYR A 120 38.568 -37.548 -13.010 1.00 23.72 C ATOM 1703 CD1 TYR A 120 39.048 -37.322 -11.704 1.00 25.27 C ATOM 1704 CD2 TYR A 120 39.253 -38.428 -13.856 1.00 28.71 C ATOM 1705 CE1 TYR A 120 40.259 -37.995 -11.303 1.00 26.61 C ATOM 1706 CE2 TYR A 120 40.462 -39.071 -13.433 1.00 32.73 C ATOM 1707 CZ TYR A 120 40.914 -38.846 -12.186 1.00 35.03 C ATOM 1708 OH TYR A 120 42.122 -39.470 -11.776 1.00 36.61 O ATOM 1709 HA TYR A 120 38.361 -35.618 -14.971 1.00 0.00 H ATOM 1710 HB3 TYR A 120 36.831 -37.474 -14.234 1.00 0.00 H ATOM 1711 HB2 TYR A 120 36.665 -36.668 -12.656 1.00 0.00 H ATOM 1712 HD2 TYR A 120 38.860 -38.628 -14.853 1.00 0.00 H ATOM 1713 HE2 TYR A 120 41.006 -39.731 -14.110 1.00 0.00 H ATOM 1714 HE1 TYR A 120 40.663 -37.836 -10.303 1.00 0.00 H ATOM 1715 HD1 TYR A 120 38.520 -36.659 -11.018 1.00 0.00 H ATOM 1716 HH TYR A 120 42.325 -39.212 -10.842 1.00 0.00 H ATOM 1717 H TYR A 120 37.653 -34.030 -12.533 1.00 0.00 H ATOM 1718 N TRP A 121 35.924 -35.203 -15.864 1.00 20.00 N ATOM 1719 CA TRP A 121 34.655 -34.665 -16.369 1.00 19.38 C ATOM 1720 C TRP A 121 33.958 -35.740 -17.208 1.00 20.47 C ATOM 1721 O TRP A 121 34.624 -36.533 -17.887 1.00 20.42 O ATOM 1722 CB TRP A 121 34.957 -33.537 -17.382 1.00 20.74 C ATOM 1723 CG TRP A 121 35.392 -32.221 -16.773 1.00 22.38 C ATOM 1724 CD1 TRP A 121 36.693 -31.829 -16.408 1.00 23.94 C ATOM 1725 CD2 TRP A 121 34.534 -31.172 -16.371 1.00 20.52 C ATOM 1726 NE1 TRP A 121 36.632 -30.595 -15.868 1.00 23.46 N ATOM 1727 CE2 TRP A 121 35.329 -30.192 -15.765 1.00 20.58 C ATOM 1728 CE3 TRP A 121 33.118 -30.983 -16.421 1.00 18.15 C ATOM 1729 CZ2 TRP A 121 34.816 -29.017 -15.270 1.00 19.67 C ATOM 1730 CZ3 TRP A 121 32.606 -29.807 -15.894 1.00 19.61 C ATOM 1731 CH2 TRP A 121 33.453 -28.842 -15.329 1.00 19.47 C ATOM 1732 HA TRP A 121 34.058 -34.330 -15.521 1.00 0.00 H ATOM 1733 HB2 TRP A 121 35.752 -33.882 -18.043 1.00 0.00 H ATOM 1734 HB3 TRP A 121 34.054 -33.357 -17.965 1.00 0.00 H ATOM 1735 HE1 TRP A 121 37.455 -30.032 -15.573 1.00 0.00 H ATOM 1736 HD1 TRP A 121 37.598 -32.423 -16.540 1.00 0.00 H ATOM 1737 HZ2 TRP A 121 35.466 -28.251 -14.846 1.00 0.00 H ATOM 1738 HH2 TRP A 121 33.019 -27.927 -14.925 1.00 0.00 H ATOM 1739 HZ3 TRP A 121 31.531 -29.630 -15.919 1.00 0.00 H ATOM 1740 HE3 TRP A 121 32.463 -31.737 -16.858 1.00 0.00 H ATOM 1741 H TRP A 121 36.542 -35.760 -16.488 1.00 0.00 H ATOM 1742 N GLY A 122 32.649 -35.778 -17.157 1.00 17.81 N ATOM 1743 CA GLY A 122 31.889 -36.615 -18.131 1.00 21.16 C ATOM 1744 C GLY A 122 31.795 -35.904 -19.488 1.00 20.65 C ATOM 1745 O GLY A 122 32.285 -34.753 -19.679 1.00 23.64 O ATOM 1746 HA3 GLY A 122 30.884 -36.791 -17.747 1.00 0.00 H ATOM 1747 HA2 GLY A 122 32.399 -37.569 -18.260 1.00 0.00 H ATOM 1748 H GLY A 122 32.140 -35.225 -16.438 1.00 0.00 H ATOM 1749 N GLN A 123 31.151 -36.565 -20.420 1.00 24.30 N ATOM 1750 CA GLN A 123 30.945 -35.981 -21.758 1.00 24.82 C ATOM 1751 C GLN A 123 29.654 -35.262 -21.919 1.00 22.15 C ATOM 1752 O GLN A 123 29.400 -34.643 -22.941 1.00 23.29 O ATOM 1753 CB GLN A 123 31.098 -37.059 -22.867 1.00 28.36 C ATOM 1754 CG GLN A 123 32.589 -37.544 -23.012 1.00 34.05 C ATOM 1755 CD GLN A 123 33.515 -36.426 -23.503 1.00 38.84 C ATOM 1756 OE1 GLN A 123 33.326 -35.868 -24.603 1.00 40.64 O ATOM 1757 NE2 GLN A 123 34.532 -36.105 -22.707 1.00 41.51 N ATOM 1758 HA GLN A 123 31.727 -35.229 -21.864 1.00 0.00 H ATOM 1759 HB2 GLN A 123 30.471 -37.915 -22.616 1.00 0.00 H ATOM 1760 HB3 GLN A 123 30.770 -36.637 -23.817 1.00 0.00 H ATOM 1761 HG2 GLN A 123 32.942 -37.891 -22.041 1.00 0.00 H ATOM 1762 HG3 GLN A 123 32.623 -38.367 -23.725 1.00 0.00 H ATOM 1763 HE22 GLN A 123 34.655 -36.594 -21.797 1.00 0.00 H ATOM 1764 HE21 GLN A 123 35.204 -35.365 -22.995 1.00 0.00 H ATOM 1765 H GLN A 123 30.780 -37.514 -20.212 1.00 0.00 H ATOM 1766 N GLY A 124 28.783 -35.372 -20.917 1.00 21.68 N ATOM 1767 CA GLY A 124 27.597 -34.527 -20.875 1.00 19.58 C ATOM 1768 C GLY A 124 26.313 -35.282 -21.219 1.00 22.45 C ATOM 1769 O GLY A 124 26.383 -36.320 -21.964 1.00 23.44 O ATOM 1770 HA3 GLY A 124 27.724 -33.714 -21.590 1.00 0.00 H ATOM 1771 HA2 GLY A 124 27.499 -34.115 -19.871 1.00 0.00 H ATOM 1772 H GLY A 124 28.951 -36.065 -20.160 1.00 0.00 H ATOM 1773 N THR A 125 25.177 -34.788 -20.734 1.00 20.06 N ATOM 1774 CA THR A 125 23.840 -35.361 -21.141 1.00 20.08 C ATOM 1775 C THR A 125 22.974 -34.139 -21.486 1.00 19.94 C ATOM 1776 O THR A 125 22.918 -33.131 -20.746 1.00 18.77 O ATOM 1777 CB THR A 125 23.230 -36.353 -20.058 1.00 23.38 C ATOM 1778 OG1 THR A 125 21.961 -36.919 -20.540 1.00 29.20 O ATOM 1779 CG2 THR A 125 22.820 -35.622 -18.792 1.00 24.22 C ATOM 1780 HA THR A 125 23.914 -36.018 -22.007 1.00 0.00 H ATOM 1781 HB THR A 125 24.005 -37.098 -19.877 1.00 0.00 H ATOM 1782 HG1 THR A 125 21.594 -37.534 -19.856 1.00 0.00 H ATOM 1783 HG23 THR A 125 23.697 -35.156 -18.343 1.00 0.00 H ATOM 1784 HG21 THR A 125 22.086 -34.855 -19.038 1.00 0.00 H ATOM 1785 HG22 THR A 125 22.384 -36.332 -18.089 1.00 0.00 H ATOM 1786 H THR A 125 25.210 -33.994 -20.063 1.00 0.00 H ATOM 1787 N GLN A 126 22.171 -34.243 -22.585 1.00 17.44 N ATOM 1788 CA GLN A 126 21.435 -33.051 -22.931 1.00 15.74 C ATOM 1789 C GLN A 126 20.094 -32.955 -22.106 1.00 17.04 C ATOM 1790 O GLN A 126 19.376 -33.986 -22.022 1.00 17.90 O ATOM 1791 CB GLN A 126 21.203 -33.221 -24.470 1.00 18.72 C ATOM 1792 CG GLN A 126 20.723 -32.105 -24.988 1.00 22.52 C ATOM 1793 CD GLN A 126 20.766 -32.051 -26.584 1.00 29.05 C ATOM 1794 OE1 GLN A 126 21.422 -32.798 -27.312 1.00 35.25 O ATOM 1795 NE2 GLN A 126 19.931 -31.240 -27.040 1.00 22.65 N ATOM 1796 HA GLN A 126 21.954 -32.122 -22.697 1.00 0.00 H ATOM 1797 HB2 GLN A 126 22.150 -33.463 -24.952 1.00 0.00 H ATOM 1798 HB3 GLN A 126 20.493 -34.031 -24.640 1.00 0.00 H ATOM 1799 HG2 GLN A 126 19.686 -31.999 -24.670 1.00 0.00 H ATOM 1800 HG3 GLN A 126 21.307 -31.270 -24.602 1.00 0.00 H ATOM 1801 HE22 GLN A 126 19.396 -30.626 -26.393 1.00 0.00 H ATOM 1802 HE21 GLN A 126 19.771 -31.180 -28.066 1.00 0.00 H ATOM 1803 H GLN A 126 22.095 -35.122 -23.136 1.00 0.00 H ATOM 1804 N VAL A 127 19.715 -31.749 -21.658 1.00 15.41 N ATOM 1805 CA VAL A 127 18.426 -31.534 -20.933 1.00 15.93 C ATOM 1806 C VAL A 127 17.776 -30.436 -21.752 1.00 17.03 C ATOM 1807 O VAL A 127 18.364 -29.322 -21.875 1.00 16.74 O ATOM 1808 CB VAL A 127 18.700 -31.085 -19.528 1.00 16.93 C ATOM 1809 CG1 VAL A 127 17.396 -30.545 -18.908 1.00 17.16 C ATOM 1810 CG2 VAL A 127 19.137 -32.339 -18.711 1.00 17.68 C ATOM 1811 HA VAL A 127 17.803 -32.424 -20.843 1.00 0.00 H ATOM 1812 HB VAL A 127 19.468 -30.312 -19.517 1.00 0.00 H ATOM 1813 HG11 VAL A 127 17.036 -29.703 -19.499 1.00 0.00 H ATOM 1814 HG12 VAL A 127 16.644 -31.334 -18.901 1.00 0.00 H ATOM 1815 HG13 VAL A 127 17.589 -30.217 -17.887 1.00 0.00 H ATOM 1816 HG21 VAL A 127 18.336 -33.078 -18.726 1.00 0.00 H ATOM 1817 HG22 VAL A 127 20.035 -32.766 -19.157 1.00 0.00 H ATOM 1818 HG23 VAL A 127 19.344 -32.046 -17.682 1.00 0.00 H ATOM 1819 H VAL A 127 20.341 -30.934 -21.821 1.00 0.00 H ATOM 1820 N THR A 128 16.551 -30.648 -22.252 1.00 15.01 N ATOM 1821 CA THR A 128 15.859 -29.561 -22.910 1.00 17.98 C ATOM 1822 C THR A 128 14.491 -29.392 -22.279 1.00 17.60 C ATOM 1823 O THR A 128 13.801 -30.424 -22.052 1.00 16.75 O ATOM 1824 CB THR A 128 15.679 -30.010 -24.432 1.00 20.74 C ATOM 1825 OG1 THR A 128 17.033 -30.186 -24.943 1.00 22.32 O ATOM 1826 CG2 THR A 128 15.028 -28.851 -25.147 1.00 22.37 C ATOM 1827 HA THR A 128 16.406 -28.622 -22.826 1.00 0.00 H ATOM 1828 HB THR A 128 15.084 -30.915 -24.558 1.00 0.00 H ATOM 1829 HG1 THR A 128 16.993 -30.467 -25.891 1.00 0.00 H ATOM 1830 HG23 THR A 128 14.015 -28.715 -24.768 1.00 0.00 H ATOM 1831 HG21 THR A 128 15.608 -27.945 -24.971 1.00 0.00 H ATOM 1832 HG22 THR A 128 14.993 -29.059 -26.216 1.00 0.00 H ATOM 1833 H THR A 128 16.103 -31.583 -22.168 1.00 0.00 H ATOM 1834 N VAL A 129 14.060 -28.162 -22.028 1.00 17.58 N ATOM 1835 CA VAL A 129 12.769 -27.945 -21.356 1.00 16.87 C ATOM 1836 C VAL A 129 11.935 -27.084 -22.339 1.00 20.28 C ATOM 1837 O VAL A 129 12.347 -25.957 -22.643 1.00 21.84 O ATOM 1838 CB VAL A 129 12.984 -27.140 -20.055 1.00 18.92 C ATOM 1839 CG1 VAL A 129 11.588 -26.990 -19.333 1.00 19.41 C ATOM 1840 CG2 VAL A 129 13.999 -27.969 -19.126 1.00 17.68 C ATOM 1841 HA VAL A 129 12.283 -28.888 -21.104 1.00 0.00 H ATOM 1842 HB VAL A 129 13.395 -26.151 -20.258 1.00 0.00 H ATOM 1843 HG11 VAL A 129 10.895 -26.464 -19.990 1.00 0.00 H ATOM 1844 HG12 VAL A 129 11.192 -27.979 -19.102 1.00 0.00 H ATOM 1845 HG13 VAL A 129 11.716 -26.424 -18.410 1.00 0.00 H ATOM 1846 HG21 VAL A 129 13.569 -28.945 -18.901 1.00 0.00 H ATOM 1847 HG22 VAL A 129 14.945 -28.100 -19.651 1.00 0.00 H ATOM 1848 HG23 VAL A 129 14.169 -27.423 -18.198 1.00 0.00 H ATOM 1849 H VAL A 129 14.639 -27.345 -22.308 1.00 0.00 H ATOM 1850 N SER A 130 10.770 -27.605 -22.754 1.00 21.42 N ATOM 1851 CA SER A 130 10.051 -26.788 -23.745 1.00 26.22 C ATOM 1852 C SER A 130 8.908 -26.045 -23.021 1.00 29.99 C ATOM 1853 O SER A 130 8.306 -26.613 -22.125 1.00 30.06 O ATOM 1854 CB SER A 130 9.424 -27.656 -24.811 1.00 30.27 C ATOM 1855 OG SER A 130 8.577 -28.568 -24.089 1.00 36.41 O ATOM 1856 HA SER A 130 10.759 -26.100 -24.208 1.00 0.00 H ATOM 1857 HB2 SER A 130 10.190 -28.199 -25.365 1.00 0.00 H ATOM 1858 HB3 SER A 130 8.837 -27.052 -25.503 1.00 0.00 H ATOM 1859 HG SER A 130 7.897 -28.056 -23.585 1.00 0.00 H ATOM 1860 H SER A 130 10.404 -28.513 -22.403 1.00 0.00 H ATOM 1861 N SER A 131 8.565 -24.833 -23.468 1.00 32.82 N ATOM 1862 CA SER A 131 7.644 -23.951 -22.670 1.00 39.37 C ATOM 1863 C SER A 131 6.219 -24.461 -22.613 1.00 42.55 C ATOM 1864 O SER A 131 5.774 -25.090 -23.601 1.00 47.38 O ATOM 1865 CB SER A 131 7.664 -22.509 -23.210 1.00 40.77 C ATOM 1866 OG SER A 131 7.526 -22.548 -24.643 1.00 44.07 O ATOM 1867 HA SER A 131 8.026 -23.967 -21.649 1.00 0.00 H ATOM 1868 HB2 SER A 131 8.607 -22.031 -22.945 1.00 0.00 H ATOM 1869 HB3 SER A 131 6.838 -21.944 -22.777 1.00 0.00 H ATOM 1870 HG SER A 131 7.538 -21.625 -25.000 1.00 0.00 H ATOM 1871 H SER A 131 8.939 -24.496 -24.378 1.00 0.00 H TER 1872 SER A 131 HETATM 1873 O HOH 1 23.981 -37.301 -0.324 1.00 17.77 O HETATM 1874 O HOH 2 15.451 -38.117 -15.739 1.00 16.88 O HETATM 1875 O HOH 3 23.736 -23.055 -2.005 1.00 19.26 O HETATM 1876 O HOH 4 19.244 -35.712 -5.454 1.00 18.71 O HETATM 1877 O HOH 5 41.004 -38.574 0.668 1.00 30.77 O HETATM 1878 O HOH 6 29.870 -41.274 -2.073 1.00 19.33 O HETATM 1879 O HOH 7 21.330 -30.043 -0.662 1.00 18.91 O HETATM 1880 O HOH 8 28.860 -25.653 1.545 1.00 18.98 O HETATM 1881 O HOH 9 29.131 -45.871 -10.713 1.00 26.28 O HETATM 1882 O HOH 10 34.241 -44.125 -5.264 1.00 22.94 O HETATM 1883 O HOH 11 5.022 -31.714 -13.525 1.00 24.64 O HETATM 1884 O HOH 12 18.940 -40.891 -13.634 1.00 27.27 O HETATM 1885 O HOH 13 18.563 -26.348 -3.796 1.00 22.69 O HETATM 1886 O HOH 14 8.538 -30.573 -11.160 1.00 21.35 O HETATM 1887 O HOH 15 38.103 -36.144 -17.448 1.00 21.69 O HETATM 1888 O HOH 16 18.042 -21.659 -14.537 1.00 25.19 O HETATM 1889 O HOH 17 32.474 -23.300 -1.865 1.00 12.12 O HETATM 1890 O HOH 18 25.063 -42.903 -15.615 1.00 13.80 O HETATM 1891 O HOH 19 41.376 -28.184 -7.194 1.00 24.02 O HETATM 1892 O HOH 20 30.031 -20.847 -13.193 1.00 20.41 O HETATM 1893 O HOH 21 33.667 -22.726 -20.474 1.00 23.62 O HETATM 1894 O HOH 22 34.064 -39.085 -1.555 1.00 23.89 O HETATM 1895 O HOH 23 36.028 -19.058 -21.759 1.00 24.16 O HETATM 1896 O HOH 24 26.308 -42.515 0.582 1.00 27.29 O HETATM 1897 O HOH 25 29.421 -36.904 8.594 1.00 28.74 O HETATM 1898 O HOH 26 40.160 -48.680 1.278 1.00 21.71 O HETATM 1899 O HOH 27 25.706 -38.872 1.250 1.00 27.08 O HETATM 1900 O HOH 28 24.991 -31.901 6.294 1.00 26.48 O HETATM 1901 O HOH 29 22.268 -36.624 -24.193 1.00 25.73 O HETATM 1902 O HOH 30 23.255 -26.321 0.816 1.00 28.26 O HETATM 1903 O HOH 31 33.801 -32.921 -21.032 1.00 31.51 O HETATM 1904 O HOH 32 33.311 -21.468 -17.454 1.00 29.55 O HETATM 1905 O HOH 33 28.622 -23.327 -25.549 1.00 25.06 O HETATM 1906 O HOH 34 24.048 -42.367 -20.567 1.00 27.87 O HETATM 1907 O HOH 35 23.537 -22.425 -12.390 1.00 34.04 O HETATM 1908 O HOH 36 31.272 -48.079 -9.853 1.00 41.77 O HETATM 1909 O HOH 37 25.616 -18.674 -8.916 1.00 33.72 O HETATM 1910 O HOH 38 0.081 -29.673 -20.735 1.00 24.59 O HETATM 1911 O HOH 39 35.302 -20.551 -13.254 1.00 9.47 O HETATM 1912 O HOH 40 26.642 -20.677 -11.562 1.00 28.31 O HETATM 1913 O HOH 41 30.573 -39.354 -20.262 1.00 28.36 O HETATM 1914 O HOH 42 23.810 -30.228 2.613 1.00 15.89 O HETATM 1915 O HOH 43 26.242 -22.206 -20.595 1.00 27.40 O HETATM 1916 O HOH 44 33.799 -16.837 -16.466 1.00 31.34 O HETATM 1917 O HOH 45 19.336 -42.738 -15.984 1.00 37.34 O HETATM 1918 O HOH 46 34.417 -43.493 -2.778 1.00 30.57 O HETATM 1919 O HOH 47 25.040 -28.622 4.856 1.00 33.33 O HETATM 1920 O HOH 48 12.843 -24.103 -24.776 1.00 38.59 O HETATM 1921 O HOH 49 25.528 -46.187 0.307 1.00 27.45 O HETATM 1922 O HOH 50 43.398 -39.251 -9.611 1.00 32.21 O HETATM 1923 O HOH 51 21.449 -45.253 -9.407 1.00 32.33 O HETATM 1924 O HOH 52 1.955 -32.685 -22.047 1.00 37.77 O HETATM 1925 O HOH 53 20.832 -40.053 -3.184 1.00 41.19 O HETATM 1926 O HOH 54 38.588 -28.759 -14.931 1.00 26.56 O HETATM 1927 O HOH 55 16.665 -20.211 -7.478 1.00 30.96 O HETATM 1928 O HOH 56 38.586 -34.338 1.505 1.00 38.44 O HETATM 1929 O HOH 57 35.313 -32.639 -0.037 1.00 30.00 O HETATM 1930 O HOH 58 38.140 -48.406 -3.679 1.00 39.37 O HETATM 1931 O HOH 59 42.401 -25.238 -9.551 1.00 40.28 O HETATM 1932 O HOH 60 8.640 -23.510 -15.196 1.00 36.43 O HETATM 1933 O HOH 61 26.786 -39.147 -20.958 1.00 36.68 O HETATM 1934 O HOH 62 30.584 -39.995 0.566 1.00 42.55 O HETATM 1935 O HOH 63 36.531 -49.977 -8.851 1.00 36.47 O HETATM 1936 O HOH 64 23.763 -35.093 1.086 1.00 35.11 O HETATM 1937 O HOH 65 42.026 -47.561 -3.251 1.00 36.78 O HETATM 1938 O HOH 66 33.616 -25.175 -22.016 1.00 45.77 O HETATM 1939 O HOH 67 42.948 -30.246 -9.357 1.00 35.02 O HETATM 1940 O HOH 68 21.022 -23.369 -19.395 1.00 36.64 O HETATM 1941 O HOH 69 10.307 -19.612 -17.003 1.00 43.29 O HETATM 1942 O HOH 70 40.506 -36.144 -16.623 1.00 33.59 O HETATM 1943 O HOH 71 26.414 -37.801 3.897 1.00 40.57 O HETATM 1944 O HOH 72 37.891 -39.447 -17.655 1.00 33.69 O HETATM 1945 O HOH 73 35.580 -42.734 -0.731 1.00 43.96 O HETATM 1946 O HOH 74 40.735 -37.262 -3.992 1.00 31.39 O HETATM 1947 O HOH 75 35.031 -39.139 -18.319 1.00 36.79 O HETATM 1948 O HOH 76 10.569 -34.836 -8.251 1.00 37.84 O HETATM 1949 O HOH 77 14.807 -20.861 -9.043 1.00 33.54 O HETATM 1950 O HOH 78 19.281 -22.333 -21.920 1.00 36.62 O HETATM 1951 O HOH 79 27.768 -21.556 -28.792 1.00 31.57 O HETATM 1952 O HOH 80 11.839 -36.805 -6.194 1.00 34.82 O HETATM 1953 O HOH 81 34.297 -34.102 2.443 1.00 19.36 O HETATM 1954 O HOH 82 34.643 -40.021 1.002 1.00 27.51 O HETATM 1955 O HOH 83 23.226 -33.231 4.918 1.00 44.75 O HETATM 1956 O HOH 84 19.401 -25.512 -1.226 1.00 28.29 O HETATM 1957 O HOH 85 3.328 -28.345 -11.625 1.00 41.14 O HETATM 1958 O HOH 86 4.398 -29.565 -15.563 1.00 30.26 O HETATM 1959 O HOH 87 39.794 -34.857 -1.321 1.00 29.05 O HETATM 1960 O HOH 88 23.528 -21.958 -18.980 1.00 48.79 O HETATM 1961 O HOH 89 20.103 -19.983 -17.794 1.00 43.15 O HETATM 1962 O HOH 90 16.938 -22.824 -25.294 1.00 38.37 O HETATM 1963 O HOH 91 24.544 -16.114 -27.886 1.00 35.92 O HETATM 1964 O HOH 92 33.963 -19.707 -15.764 1.00 33.08 O HETATM 1965 O HOH 93 16.937 -24.066 -0.733 1.00 39.42 O HETATM 1966 O HOH 94 10.551 -27.045 -6.835 1.00 35.47 O HETATM 1967 O HOH 95 6.217 -27.443 -11.415 1.00 40.69 O HETATM 1968 O HOH 96 17.051 -35.771 -4.290 1.00 30.52 O HETATM 1969 O HOH 97 28.146 -40.401 0.875 1.00 30.72 O HETATM 1970 O HOH 98 23.658 -41.219 2.977 1.00 35.26 O HETATM 1971 O HOH 99 14.868 -30.841 -6.147 1.00 22.64 O HETATM 1972 O HOH 100 26.213 -48.572 -9.197 1.00 35.89 O HETATM 1973 O HOH 101 40.048 -32.181 0.079 1.00 35.73 O HETATM 1974 O HOH 102 5.945 -27.924 -24.028 1.00 36.17 O HETATM 1975 O HOH 103 23.076 -19.934 -4.394 1.00 40.27 O HETATM 1976 O HOH 104 26.732 -20.289 -5.609 1.00 37.72 O HETATM 1977 O HOH 105 30.598 -21.084 -2.874 1.00 42.47 O HETATM 1978 O HOH 106 22.241 -39.423 0.350 1.00 36.81 O HETATM 1979 O HOH 107 35.085 -37.523 -20.349 1.00 31.86 O HETATM 1980 O HOH 108 41.959 -28.296 -10.993 1.00 31.49 O HETATM 1981 O HOH 109 21.944 -33.959 -0.583 1.00 31.79 O HETATM 1982 O HOH 110 23.605 -48.249 -1.978 1.00 37.33 O HETATM 1983 O HOH 111 38.683 -28.731 -18.576 1.00 37.52 O HETATM 1984 O HOH 112 16.912 -28.424 -2.750 1.00 45.96 O HETATM 1985 O HOH 113 35.701 -36.321 3.207 1.00 28.44 O HETATM 1986 O HOH 114 30.148 -45.940 -16.039 1.00 46.03 O HETATM 1987 O HOH 115 30.501 -32.130 -24.479 1.00 24.50 O HETATM 1988 O HOH 116 42.093 -30.669 -1.638 1.00 26.93 O HETATM 1989 O HOH 117 47.065 -43.184 -7.066 1.00 46.49 O HETATM 1990 O HOH 118 34.398 -40.949 -3.455 1.00 32.25 O HETATM 1991 O HOH 119 15.724 -21.809 -1.534 1.00 43.11 O HETATM 1992 O HOH 120 22.658 -42.486 -0.150 1.00 33.33 O HETATM 1993 O HOH 121 26.570 -45.543 -16.728 1.00 40.12 O HETATM 1994 O HOH 122 43.488 -32.259 -12.581 1.00 41.28 O HETATM 1995 O HOH 123 38.144 -27.513 -21.738 1.00 38.89 O HETATM 1996 O HOH 124 23.269 -19.871 -11.286 1.00 32.52 O HETATM 1997 N1 MTX A 125 31.249 -41.008 -5.650 1.00 -0.27 N HETATM 1998 C2 MTX A 125 29.940 -41.030 -6.021 1.00 0.17 C HETATM 1999 NA2 MTX A 125 29.088 -41.069 -5.058 1.00 -0.31 N HETATM 2000 H1 MTX A 125 29.412 -41.024 -4.081 1.00 0.18 H HETATM 2001 H2 MTX A 125 28.082 -41.145 -5.263 1.00 0.18 H HETATM 2002 N3 MTX A 125 29.587 -41.085 -7.348 1.00 -0.23 N HETATM 2003 C4 MTX A 125 30.548 -41.039 -8.276 1.00 0.15 C HETATM 2004 NA4 MTX A 125 30.147 -41.023 -9.614 1.00 -0.31 N HETATM 2005 H3 MTX A 125 30.853 -40.988 -10.363 1.00 0.19 H HETATM 2006 H4 MTX A 125 29.145 -41.046 -9.852 1.00 0.19 H HETATM 2007 C4A MTX A 125 31.893 -41.071 -7.959 1.00 0.13 C HETATM 2008 N5 MTX A 125 32.876 -41.123 -8.968 1.00 -0.26 N HETATM 2009 C6 MTX A 125 34.196 -41.203 -8.568 1.00 0.08 C HETATM 2010 C7 MTX A 125 34.503 -41.146 -7.180 1.00 0.05 C HETATM 2011 N8 MTX A 125 33.536 -41.023 -6.165 1.00 -0.26 N HETATM 2012 C8A MTX A 125 32.229 -41.031 -6.608 1.00 0.12 C HETATM 2013 H5 MTX A 125 35.545 -41.201 -6.886 1.00 0.10 H HETATM 2014 C9 MTX A 125 35.191 -41.371 -9.669 1.00 0.08 C HETATM 2015 N10 MTX A 125 36.479 -40.906 -9.352 1.00 -0.29 N HETATM 2016 CM MTX A 125 36.565 -39.470 -9.284 1.00 0.02 C HETATM 2017 H8 MTX A 125 37.595 -39.176 -9.033 1.00 0.05 H HETATM 2018 H9 MTX A 125 35.878 -39.098 -8.509 1.00 0.05 H HETATM 2019 H10 MTX A 125 36.288 -39.039 -10.258 1.00 0.05 H HETATM 2020 C14 MTX A 125 37.668 -41.715 -9.207 1.00 0.05 C HETATM 2021 C13 MTX A 125 37.487 -43.079 -9.253 1.00 -0.04 C HETATM 2022 C12 MTX A 125 38.677 -43.896 -9.129 1.00 -0.05 C HETATM 2023 C11 MTX A 125 39.915 -43.269 -8.988 1.00 0.04 C HETATM 2024 C16 MTX A 125 40.070 -41.874 -9.001 1.00 -0.05 C HETATM 2025 C15 MTX A 125 38.887 -41.074 -9.159 1.00 -0.04 C HETATM 2026 H13 MTX A 125 38.952 -39.995 -9.238 1.00 0.05 H HETATM 2027 H14 MTX A 125 41.047 -41.417 -8.896 1.00 0.06 H HETATM 2028 C MTX A 125 41.187 -44.114 -8.837 1.00 0.20 C HETATM 2029 O MTX A 125 42.336 -43.415 -9.086 1.00 -0.39 O HETATM 2030 N MTX A 125 41.101 -45.349 -8.410 1.00 -0.27 N HETATM 2031 CA MTX A 125 42.251 -46.271 -8.373 1.00 0.10 C HETATM 2032 CT MTX A 125 41.848 -47.565 -8.987 1.00 0.06 C HETATM 2033 O1 MTX A 125 42.752 -48.319 -9.368 1.00 -0.57 O HETATM 2034 O2 MTX A 125 40.643 -47.900 -9.186 1.00 -0.57 O HETATM 2035 CB MTX A 125 42.770 -46.601 -6.971 1.00 -0.01 C HETATM 2036 CG MTX A 125 43.208 -45.377 -6.252 1.00 0.00 C HETATM 2037 CD MTX A 125 41.937 -44.876 -5.532 1.00 0.04 C HETATM 2038 OE1 MTX A 125 41.148 -45.670 -4.864 1.00 -0.57 O HETATM 2039 OE2 MTX A 125 41.709 -43.645 -5.612 1.00 -0.57 O HETATM 2040 H19 MTX A 125 43.577 -44.621 -6.961 1.00 0.04 H HETATM 2041 H20 MTX A 125 43.998 -45.615 -5.525 1.00 0.04 H HETATM 2042 H17 MTX A 125 43.624 -47.289 -7.058 1.00 0.03 H HETATM 2043 H18 MTX A 125 41.966 -47.085 -6.397 1.00 0.03 H HETATM 2044 H16 MTX A 125 43.070 -45.821 -8.953 1.00 0.07 H HETATM 2045 H15 MTX A 125 40.213 -45.683 -8.094 1.00 0.19 H HETATM 2046 H11 MTX A 125 38.606 -44.978 -9.146 1.00 0.06 H HETATM 2047 H12 MTX A 125 36.504 -43.519 -9.376 1.00 0.05 H HETATM 2048 H6 MTX A 125 34.830 -40.818 -10.549 1.00 0.07 H HETATM 2049 H7 MTX A 125 35.260 -42.441 -9.912 1.00 0.07 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 300 299 1470 CONECT 1470 300 1469 CONECT 1997 1998 2012 CONECT 1998 1997 1999 2002 CONECT 1999 1998 2000 2001 CONECT 2000 1999 CONECT 2001 1999 CONECT 2002 1998 2003 CONECT 2003 2002 2004 2007 CONECT 2004 2003 2005 2006 CONECT 2005 2004 CONECT 2006 2004 CONECT 2007 2003 2008 2012 CONECT 2008 2007 2009 CONECT 2009 2008 2010 2014 CONECT 2010 2009 2011 2013 CONECT 2011 2010 2012 CONECT 2012 1997 2007 2011 CONECT 2013 2010 CONECT 2014 2009 2015 2048 2049 CONECT 2015 2014 2016 2020 CONECT 2016 2015 2017 2018 2019 CONECT 2017 2016 CONECT 2018 2016 CONECT 2019 2016 CONECT 2020 2015 2021 2025 CONECT 2021 2020 2022 2047 CONECT 2022 2021 2023 2046 CONECT 2023 2022 2024 2028 CONECT 2024 2023 2025 2027 CONECT 2025 2020 2024 2026 CONECT 2026 2025 CONECT 2027 2024 CONECT 2028 2023 2029 2030 CONECT 2029 2028 CONECT 2030 2028 2031 2045 CONECT 2031 2030 2032 2035 2044 CONECT 2032 2031 2033 2034 CONECT 2033 2032 CONECT 2034 2032 CONECT 2035 2031 2036 2042 2043 CONECT 2036 2035 2037 2040 2041 CONECT 2037 2036 2038 2039 CONECT 2038 2037 CONECT 2039 2037 CONECT 2040 2036 CONECT 2041 2036 CONECT 2042 2035 CONECT 2043 2035 CONECT 2044 2031 CONECT 2045 2030 CONECT 2046 2022 CONECT 2047 2021 CONECT 2048 2014 CONECT 2049 2014 MASTER 0 0 0 0 0 0 0 0 2048 1 59 10 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: 3qxt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3qxv
RCSB PDB
PDBbind
126aa, >3QXV_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ao8
RCSB PDB
PDBbind
MTX
1dhi
RCSB PDB
PDBbind
MTX
1dhj
RCSB PDB
PDBbind
MTX
2drc
RCSB PDB
PDBbind
MTX
2qk8
RCSB PDB
PDBbind
MTX
3eig
RCSB PDB
PDBbind
MTX
3qxv
RCSB PDB
PDBbind
MTX
4kn0
RCSB PDB
PDBbind
MTX
5j7w
RCSB PDB
PDBbind
MTX
Entry Information
PDB ID
3qxt
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Anti-Methotrexate CDR1-3 Graft VHH
Ligand Name
MTX
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=6uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Protein Sci. Vol. 20: pp. 1196-1207
Ligand Properties
Formula
C
2
0
H
2
2
N
8
O
5
Molecular Weight
454.439
Exact Mass
454.171
No. of atoms
55
No. of bonds
57
Polar Surface Area
210.54
LOGP Value
1.87 (
Computed with XLOGP3
)
1.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
Canonical SMILES
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C
InChI String
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/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
No matched UniProt accession number (AC) found!
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