Browse entries in the PDBbind-CN Database
HEADER 3QXV_COMPLEX COMPND 3QXV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN ALA SEQRES 2 A 123 GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER ARG ARG SEQRES 3 A 123 SER SER ARG SER TRP ALA MET ALA TRP PHE ARG GLN ALA SEQRES 4 A 123 PRO GLY LYS GLU ARG GLU PHE VAL ALA LYS ILE SER GLY SEQRES 5 A 123 ASP GLY ARG LEU THR THR TYR GLY ASP SER VAL LYS GLY SEQRES 6 A 123 ARG PHE THR ILE SER ARG ASP ASN ALA GLU TYR LEU VAL SEQRES 7 A 123 TYR LEU GLN MET ASP SER LEU LYS PRO GLU ASP THR ALA SEQRES 8 A 123 VAL TYR TYR CYS ALA ALA ASP ASP ASN TYR VAL THR ALA SEQRES 9 A 123 SER TRP ARG SER GLY PRO ASP TYR TRP GLY GLN GLY THR SEQRES 10 A 123 GLN VAL THR VAL SER SER HET MTX A 139 53 SSBOND 1 CYS A 24 CYS A 98 ATOM 1 N VAL A 4 -28.136 11.620 -32.093 1.00 64.03 N ATOM 2 CA VAL A 4 -26.995 12.490 -31.687 1.00 62.12 C ATOM 3 C VAL A 4 -27.125 13.921 -32.184 1.00 59.06 C ATOM 4 O VAL A 4 -27.119 14.170 -33.392 1.00 57.65 O ATOM 5 CB VAL A 4 -25.648 11.950 -32.198 1.00 60.73 C ATOM 6 CG1 VAL A 4 -24.532 12.957 -31.928 1.00 57.28 C ATOM 7 CG2 VAL A 4 -25.356 10.651 -31.531 1.00 64.52 C ATOM 8 HA VAL A 4 -27.024 12.482 -30.597 1.00 0.00 H ATOM 9 HB VAL A 4 -25.706 11.795 -33.275 1.00 0.00 H ATOM 10 HG11 VAL A 4 -24.757 13.893 -32.440 1.00 0.00 H ATOM 11 HG12 VAL A 4 -24.458 13.137 -30.855 1.00 0.00 H ATOM 12 HG13 VAL A 4 -23.587 12.558 -32.296 1.00 0.00 H ATOM 13 HG21 VAL A 4 -25.305 10.801 -30.453 1.00 0.00 H ATOM 14 HG22 VAL A 4 -26.148 9.939 -31.763 1.00 0.00 H ATOM 15 HG23 VAL A 4 -24.402 10.266 -31.891 1.00 0.00 H ATOM 16 HN3 VAL A 4 -28.194 11.588 -33.131 1.00 0.00 H ATOM 17 HN2 VAL A 4 -29.020 12.008 -31.707 1.00 0.00 H ATOM 18 HN1 VAL A 4 -27.987 10.659 -31.723 1.00 0.00 H ATOM 19 N GLN A 5 -27.218 14.849 -31.238 1.00 58.00 N ATOM 20 CA GLN A 5 -27.387 16.251 -31.548 1.00 56.18 C ATOM 21 C GLN A 5 -26.166 17.001 -31.107 1.00 52.79 C ATOM 22 O GLN A 5 -25.752 16.926 -29.947 1.00 53.33 O ATOM 23 CB GLN A 5 -28.598 16.857 -30.837 1.00 58.37 C ATOM 24 CG GLN A 5 -29.934 16.299 -31.285 1.00 65.76 C ATOM 25 CD GLN A 5 -30.230 16.571 -32.758 1.00 68.15 C ATOM 26 OE1 GLN A 5 -31.202 16.048 -33.313 1.00 70.31 O ATOM 27 NE2 GLN A 5 -29.400 17.390 -33.391 1.00 63.28 N ATOM 28 HA GLN A 5 -27.541 16.332 -32.624 1.00 0.00 H ATOM 29 HB2 GLN A 5 -28.493 16.673 -29.768 1.00 0.00 H ATOM 30 HB3 GLN A 5 -28.599 17.931 -31.021 1.00 0.00 H ATOM 31 HG2 GLN A 5 -29.932 15.221 -31.124 1.00 0.00 H ATOM 32 HG3 GLN A 5 -30.720 16.754 -30.683 1.00 0.00 H ATOM 33 HE22 GLN A 5 -28.594 17.808 -32.884 1.00 0.00 H ATOM 34 HE21 GLN A 5 -29.555 17.614 -34.395 1.00 0.00 H ATOM 35 H GLN A 5 -27.168 14.557 -30.241 1.00 0.00 H ATOM 36 N LEU A 6 -25.621 17.760 -32.039 1.00 49.63 N ATOM 37 CA LEU A 6 -24.643 18.778 -31.730 1.00 46.27 C ATOM 38 C LEU A 6 -25.366 20.108 -31.466 1.00 45.92 C ATOM 39 O LEU A 6 -26.271 20.493 -32.216 1.00 47.13 O ATOM 40 CB LEU A 6 -23.670 18.879 -32.892 1.00 43.17 C ATOM 41 CG LEU A 6 -22.290 18.205 -32.809 1.00 43.72 C ATOM 42 CD1 LEU A 6 -22.279 16.922 -32.045 1.00 43.52 C ATOM 43 CD2 LEU A 6 -21.685 17.965 -34.211 1.00 39.29 C ATOM 44 HA LEU A 6 -24.079 18.525 -30.832 1.00 0.00 H ATOM 45 HB2 LEU A 6 -24.174 18.456 -33.761 1.00 0.00 H ATOM 46 HB3 LEU A 6 -23.491 19.941 -33.059 1.00 0.00 H ATOM 47 HG LEU A 6 -21.676 18.915 -32.255 1.00 0.00 H ATOM 48 HD21 LEU A 6 -22.349 17.319 -34.786 1.00 0.00 H ATOM 49 HD22 LEU A 6 -21.571 18.920 -34.724 1.00 0.00 H ATOM 50 HD23 LEU A 6 -20.711 17.487 -34.108 1.00 0.00 H ATOM 51 HD11 LEU A 6 -22.607 17.107 -31.022 1.00 0.00 H ATOM 52 HD12 LEU A 6 -22.954 16.211 -32.521 1.00 0.00 H ATOM 53 HD13 LEU A 6 -21.268 16.515 -32.036 1.00 0.00 H ATOM 54 H LEU A 6 -25.905 17.621 -33.030 1.00 0.00 H ATOM 55 N VAL A 7 -25.024 20.764 -30.353 1.00 45.71 N ATOM 56 CA VAL A 7 -25.631 22.048 -29.954 1.00 43.80 C ATOM 57 C VAL A 7 -24.523 23.090 -29.705 1.00 41.61 C ATOM 58 O VAL A 7 -23.693 22.955 -28.802 1.00 39.65 O ATOM 59 CB VAL A 7 -26.545 21.943 -28.706 1.00 47.25 C ATOM 60 CG1 VAL A 7 -27.257 23.286 -28.435 1.00 47.60 C ATOM 61 CG2 VAL A 7 -27.615 20.794 -28.834 1.00 47.01 C ATOM 62 HA VAL A 7 -26.272 22.359 -30.779 1.00 0.00 H ATOM 63 HB VAL A 7 -25.894 21.697 -27.867 1.00 0.00 H ATOM 64 HG11 VAL A 7 -26.512 24.062 -28.262 1.00 0.00 H ATOM 65 HG12 VAL A 7 -27.868 23.553 -29.298 1.00 0.00 H ATOM 66 HG13 VAL A 7 -27.892 23.188 -27.555 1.00 0.00 H ATOM 67 HG21 VAL A 7 -28.250 20.985 -29.699 1.00 0.00 H ATOM 68 HG22 VAL A 7 -27.107 19.838 -28.959 1.00 0.00 H ATOM 69 HG23 VAL A 7 -28.227 20.767 -27.932 1.00 0.00 H ATOM 70 H VAL A 7 -24.295 20.349 -29.738 1.00 0.00 H ATOM 71 N GLU A 8 -24.554 24.127 -30.531 1.00 39.12 N ATOM 72 CA GLU A 8 -23.646 25.229 -30.474 1.00 38.00 C ATOM 73 C GLU A 8 -24.188 26.253 -29.526 1.00 39.37 C ATOM 74 O GLU A 8 -25.408 26.486 -29.495 1.00 42.03 O ATOM 75 CB GLU A 8 -23.571 25.876 -31.850 1.00 36.26 C ATOM 76 CG GLU A 8 -22.917 25.012 -32.868 1.00 37.40 C ATOM 77 CD GLU A 8 -23.888 24.401 -33.862 1.00 40.43 C ATOM 78 OE1 GLU A 8 -25.115 24.294 -33.564 1.00 39.86 O ATOM 79 OE2 GLU A 8 -23.394 24.009 -34.954 1.00 39.71 O ATOM 80 HA GLU A 8 -22.665 24.879 -30.153 1.00 0.00 H ATOM 81 HB2 GLU A 8 -24.584 26.099 -32.184 1.00 0.00 H ATOM 82 HB3 GLU A 8 -23.005 26.804 -31.767 1.00 0.00 H ATOM 83 HG2 GLU A 8 -22.194 25.614 -33.418 1.00 0.00 H ATOM 84 HG3 GLU A 8 -22.398 24.204 -32.352 1.00 0.00 H ATOM 85 H GLU A 8 -25.287 24.139 -31.269 1.00 0.00 H ATOM 86 N SER A 9 -23.286 26.877 -28.766 1.00 38.51 N ATOM 87 CA SER A 9 -23.642 28.017 -27.926 1.00 39.09 C ATOM 88 C SER A 9 -22.728 29.221 -28.070 1.00 36.77 C ATOM 89 O SER A 9 -21.533 29.096 -28.423 1.00 36.17 O ATOM 90 CB SER A 9 -23.712 27.614 -26.450 1.00 41.22 C ATOM 91 OG SER A 9 -24.872 26.848 -26.221 1.00 42.95 O ATOM 92 HA SER A 9 -24.624 28.325 -28.286 1.00 0.00 H ATOM 93 HB2 SER A 9 -23.741 28.510 -25.830 1.00 0.00 H ATOM 94 HB3 SER A 9 -22.832 27.025 -26.193 1.00 0.00 H ATOM 95 HG SER A 9 -24.913 26.590 -25.266 1.00 0.00 H ATOM 96 H SER A 9 -22.302 26.542 -28.772 1.00 0.00 H ATOM 97 N GLY A 10 -23.304 30.381 -27.761 1.00 36.78 N ATOM 98 CA GLY A 10 -22.574 31.592 -27.388 1.00 35.33 C ATOM 99 C GLY A 10 -22.669 32.677 -28.448 1.00 34.88 C ATOM 100 O GLY A 10 -21.979 33.709 -28.375 1.00 35.53 O ATOM 101 HA3 GLY A 10 -21.524 31.337 -27.241 1.00 0.00 H ATOM 102 HA2 GLY A 10 -22.987 31.977 -26.455 1.00 0.00 H ATOM 103 H GLY A 10 -24.343 30.429 -27.787 1.00 0.00 H ATOM 104 N GLY A 11 -23.445 32.415 -29.486 1.00 33.80 N ATOM 105 CA GLY A 11 -23.665 33.406 -30.531 1.00 34.21 C ATOM 106 C GLY A 11 -24.400 34.638 -30.013 1.00 35.71 C ATOM 107 O GLY A 11 -25.149 34.559 -29.045 1.00 38.08 O ATOM 108 HA3 GLY A 11 -24.257 32.952 -31.326 1.00 0.00 H ATOM 109 HA2 GLY A 11 -22.699 33.715 -30.930 1.00 0.00 H ATOM 110 H GLY A 11 -23.906 31.486 -29.558 1.00 0.00 H ATOM 111 N GLY A 12 -24.158 35.780 -30.650 1.00 36.31 N ATOM 112 CA GLY A 12 -24.859 37.043 -30.340 1.00 39.21 C ATOM 113 C GLY A 12 -24.205 38.227 -31.052 1.00 39.52 C ATOM 114 O GLY A 12 -23.405 38.039 -31.994 1.00 38.10 O ATOM 115 HA3 GLY A 12 -24.827 37.213 -29.264 1.00 0.00 H ATOM 116 HA2 GLY A 12 -25.897 36.963 -30.663 1.00 0.00 H ATOM 117 H GLY A 12 -23.441 35.784 -31.403 1.00 0.00 H ATOM 118 N LEU A 13 -24.530 39.433 -30.577 1.00 39.93 N ATOM 119 CA LEU A 13 -24.114 40.693 -31.173 1.00 40.21 C ATOM 120 C LEU A 13 -22.843 41.237 -30.498 1.00 39.92 C ATOM 121 O LEU A 13 -22.816 41.451 -29.273 1.00 39.69 O ATOM 122 CB LEU A 13 -25.250 41.725 -31.037 1.00 42.21 C ATOM 123 CG LEU A 13 -24.908 43.150 -31.492 1.00 43.64 C ATOM 124 CD1 LEU A 13 -24.528 43.177 -32.960 1.00 40.55 C ATOM 125 CD2 LEU A 13 -26.031 44.140 -31.224 1.00 43.12 C ATOM 126 HA LEU A 13 -23.892 40.516 -32.226 1.00 0.00 H ATOM 127 HB2 LEU A 13 -26.094 41.376 -31.632 1.00 0.00 H ATOM 128 HB3 LEU A 13 -25.540 41.768 -29.987 1.00 0.00 H ATOM 129 HG LEU A 13 -24.051 43.463 -30.895 1.00 0.00 H ATOM 130 HD21 LEU A 13 -26.927 43.825 -31.759 1.00 0.00 H ATOM 131 HD22 LEU A 13 -26.238 44.172 -30.154 1.00 0.00 H ATOM 132 HD23 LEU A 13 -25.730 45.130 -31.567 1.00 0.00 H ATOM 133 HD11 LEU A 13 -23.658 42.540 -33.121 1.00 0.00 H ATOM 134 HD12 LEU A 13 -25.363 42.810 -33.557 1.00 0.00 H ATOM 135 HD13 LEU A 13 -24.291 44.200 -33.254 1.00 0.00 H ATOM 136 H LEU A 13 -25.121 39.474 -29.722 1.00 0.00 H ATOM 137 N VAL A 14 -21.790 41.458 -31.278 1.00 37.91 N ATOM 138 CA VAL A 14 -20.543 41.915 -30.685 1.00 38.88 C ATOM 139 C VAL A 14 -19.906 43.017 -31.530 1.00 41.32 C ATOM 140 O VAL A 14 -20.355 43.280 -32.653 1.00 41.80 O ATOM 141 CB VAL A 14 -19.540 40.735 -30.475 1.00 36.74 C ATOM 142 CG1 VAL A 14 -19.983 39.880 -29.317 1.00 37.42 C ATOM 143 CG2 VAL A 14 -19.456 39.863 -31.733 1.00 35.33 C ATOM 144 HA VAL A 14 -20.782 42.328 -29.705 1.00 0.00 H ATOM 145 HB VAL A 14 -18.558 41.160 -30.268 1.00 0.00 H ATOM 146 HG11 VAL A 14 -20.018 40.486 -28.412 1.00 0.00 H ATOM 147 HG12 VAL A 14 -20.974 39.476 -29.524 1.00 0.00 H ATOM 148 HG13 VAL A 14 -19.277 39.061 -29.180 1.00 0.00 H ATOM 149 HG21 VAL A 14 -20.441 39.453 -31.956 1.00 0.00 H ATOM 150 HG22 VAL A 14 -19.116 40.470 -32.572 1.00 0.00 H ATOM 151 HG23 VAL A 14 -18.752 39.049 -31.563 1.00 0.00 H ATOM 152 H VAL A 14 -21.857 41.305 -32.305 1.00 0.00 H ATOM 153 N GLN A 15 -18.829 43.603 -31.011 1.00 41.61 N ATOM 154 CA GLN A 15 -18.214 44.798 -31.593 1.00 44.49 C ATOM 155 C GLN A 15 -16.906 44.399 -32.257 1.00 43.54 C ATOM 156 O GLN A 15 -16.219 43.481 -31.783 1.00 43.14 O ATOM 157 CB GLN A 15 -17.942 45.859 -30.518 1.00 46.35 C ATOM 158 CG GLN A 15 -19.127 46.805 -30.226 1.00 50.76 C ATOM 159 CD GLN A 15 -18.774 47.938 -29.277 1.00 57.14 C ATOM 160 OE1 GLN A 15 -19.504 48.943 -29.176 1.00 60.62 O ATOM 161 NE2 GLN A 15 -17.643 47.797 -28.578 1.00 56.69 N ATOM 162 HA GLN A 15 -18.898 45.227 -32.325 1.00 0.00 H ATOM 163 HB2 GLN A 15 -17.682 45.345 -29.592 1.00 0.00 H ATOM 164 HB3 GLN A 15 -17.097 46.465 -30.845 1.00 0.00 H ATOM 165 HG2 GLN A 15 -19.466 47.236 -31.168 1.00 0.00 H ATOM 166 HG3 GLN A 15 -19.934 46.222 -29.783 1.00 0.00 H ATOM 167 HE22 GLN A 15 -17.064 46.941 -28.693 1.00 0.00 H ATOM 168 HE21 GLN A 15 -17.343 48.543 -27.919 1.00 0.00 H ATOM 169 H GLN A 15 -18.405 43.194 -30.154 1.00 0.00 H ATOM 170 N ALA A 16 -16.601 45.032 -33.388 1.00 43.51 N ATOM 171 CA ALA A 16 -15.344 44.787 -34.074 1.00 42.35 C ATOM 172 C ALA A 16 -14.205 45.118 -33.140 1.00 42.39 C ATOM 173 O ALA A 16 -14.250 46.129 -32.439 1.00 42.15 O ATOM 174 CB ALA A 16 -15.232 45.637 -35.344 1.00 44.74 C ATOM 175 HA ALA A 16 -15.302 43.738 -34.366 1.00 0.00 H ATOM 176 HB1 ALA A 16 -16.051 45.389 -36.019 1.00 0.00 H ATOM 177 HB2 ALA A 16 -15.284 46.693 -35.079 1.00 0.00 H ATOM 178 HB3 ALA A 16 -14.281 45.431 -35.835 1.00 0.00 H ATOM 179 H ALA A 16 -17.276 45.715 -33.788 1.00 0.00 H ATOM 180 N GLY A 17 -13.172 44.272 -33.179 1.00 41.84 N ATOM 181 CA GLY A 17 -12.095 44.297 -32.208 1.00 42.26 C ATOM 182 C GLY A 17 -12.431 43.573 -30.913 1.00 41.79 C ATOM 183 O GLY A 17 -11.615 43.531 -30.006 1.00 42.79 O ATOM 184 HA3 GLY A 17 -11.865 45.336 -31.973 1.00 0.00 H ATOM 185 HA2 GLY A 17 -11.219 43.824 -32.651 1.00 0.00 H ATOM 186 H GLY A 17 -13.139 43.564 -33.940 1.00 0.00 H ATOM 187 N GLY A 18 -13.638 43.035 -30.804 1.00 40.48 N ATOM 188 CA GLY A 18 -14.027 42.285 -29.603 1.00 40.37 C ATOM 189 C GLY A 18 -13.584 40.823 -29.570 1.00 39.46 C ATOM 190 O GLY A 18 -12.823 40.333 -30.440 1.00 37.35 O ATOM 191 HA3 GLY A 18 -15.114 42.309 -29.529 1.00 0.00 H ATOM 192 HA2 GLY A 18 -13.594 42.787 -28.738 1.00 0.00 H ATOM 193 H GLY A 18 -14.320 43.146 -31.581 1.00 0.00 H ATOM 194 N SER A 19 -14.051 40.129 -28.535 1.00 39.32 N ATOM 195 CA SER A 19 -13.822 38.695 -28.386 1.00 38.68 C ATOM 196 C SER A 19 -15.157 38.035 -28.159 1.00 37.71 C ATOM 197 O SER A 19 -16.086 38.687 -27.673 1.00 40.26 O ATOM 198 CB SER A 19 -12.917 38.396 -27.209 1.00 38.06 C ATOM 199 OG SER A 19 -11.588 38.604 -27.582 1.00 45.28 O ATOM 200 HA SER A 19 -13.337 38.317 -29.286 1.00 0.00 H ATOM 201 HB2 SER A 19 -13.051 37.359 -26.901 1.00 0.00 H ATOM 202 HB3 SER A 19 -13.170 39.056 -26.379 1.00 0.00 H ATOM 203 HG SER A 19 -11.360 38.004 -28.336 1.00 0.00 H ATOM 204 H SER A 19 -14.600 40.627 -27.805 1.00 0.00 H ATOM 205 N LEU A 20 -15.271 36.770 -28.544 1.00 36.03 N ATOM 206 CA LEU A 20 -16.488 35.955 -28.263 1.00 36.19 C ATOM 207 C LEU A 20 -16.041 34.500 -28.103 1.00 35.44 C ATOM 208 O LEU A 20 -15.130 34.048 -28.786 1.00 35.14 O ATOM 209 CB LEU A 20 -17.465 36.045 -29.432 1.00 35.26 C ATOM 210 CG LEU A 20 -18.864 35.399 -29.299 1.00 39.86 C ATOM 211 CD1 LEU A 20 -19.714 36.079 -28.231 1.00 40.52 C ATOM 212 CD2 LEU A 20 -19.598 35.398 -30.620 1.00 39.14 C ATOM 213 HA LEU A 20 -16.983 36.320 -27.363 1.00 0.00 H ATOM 214 HB2 LEU A 20 -17.621 37.104 -29.636 1.00 0.00 H ATOM 215 HB3 LEU A 20 -16.979 35.579 -30.290 1.00 0.00 H ATOM 216 HG LEU A 20 -18.698 34.367 -28.988 1.00 0.00 H ATOM 217 HD21 LEU A 20 -19.721 36.424 -30.966 1.00 0.00 H ATOM 218 HD22 LEU A 20 -19.023 34.832 -31.353 1.00 0.00 H ATOM 219 HD23 LEU A 20 -20.577 34.937 -30.490 1.00 0.00 H ATOM 220 HD11 LEU A 20 -19.212 36.003 -27.266 1.00 0.00 H ATOM 221 HD12 LEU A 20 -19.849 37.129 -28.490 1.00 0.00 H ATOM 222 HD13 LEU A 20 -20.686 35.589 -28.176 1.00 0.00 H ATOM 223 H LEU A 20 -14.483 36.331 -29.061 1.00 0.00 H ATOM 224 N ARG A 21 -16.682 33.763 -27.210 1.00 36.73 N ATOM 225 CA ARG A 21 -16.416 32.346 -27.067 1.00 36.09 C ATOM 226 C ARG A 21 -17.649 31.568 -27.442 1.00 35.75 C ATOM 227 O ARG A 21 -18.708 31.790 -26.863 1.00 37.01 O ATOM 228 CB ARG A 21 -16.088 32.042 -25.619 1.00 38.54 C ATOM 229 CG ARG A 21 -15.774 30.587 -25.347 1.00 40.39 C ATOM 230 CD ARG A 21 -15.160 30.511 -23.975 1.00 45.79 C ATOM 231 NE ARG A 21 -16.159 30.213 -22.962 1.00 48.51 N ATOM 232 CZ ARG A 21 -16.051 30.542 -21.674 1.00 49.39 C ATOM 233 NH1 ARG A 21 -15.005 31.234 -21.224 1.00 46.52 N ATOM 234 NH2 ARG A 21 -17.009 30.182 -20.839 1.00 48.05 N ATOM 235 HA ARG A 21 -15.582 32.069 -27.712 1.00 0.00 H ATOM 236 HB2 ARG A 21 -15.222 32.638 -25.332 1.00 0.00 H ATOM 237 HB3 ARG A 21 -16.944 32.328 -25.007 1.00 0.00 H ATOM 238 HG2 ARG A 21 -16.689 29.995 -25.380 1.00 0.00 H ATOM 239 HG3 ARG A 21 -15.072 30.211 -26.091 1.00 0.00 H ATOM 240 HD2 ARG A 21 -14.693 31.468 -23.742 1.00 0.00 H ATOM 241 HD3 ARG A 21 -14.403 29.727 -23.968 1.00 0.00 H ATOM 242 HE ARG A 21 -17.017 29.708 -23.262 1.00 0.00 H ATOM 243 HH12 ARG A 21 -14.939 31.481 -20.216 1.00 0.00 H ATOM 244 HH11 ARG A 21 -14.254 31.527 -21.881 1.00 0.00 H ATOM 245 HH22 ARG A 21 -16.941 30.430 -19.831 1.00 0.00 H ATOM 246 HH21 ARG A 21 -17.831 29.650 -21.189 1.00 0.00 H ATOM 247 H ARG A 21 -17.393 34.211 -26.597 1.00 0.00 H ATOM 248 N LEU A 22 -17.503 30.640 -28.390 1.00 34.03 N ATOM 249 CA LEU A 22 -18.575 29.688 -28.722 1.00 30.93 C ATOM 250 C LEU A 22 -18.236 28.322 -28.131 1.00 31.34 C ATOM 251 O LEU A 22 -17.075 28.014 -27.890 1.00 31.10 O ATOM 252 CB LEU A 22 -18.687 29.539 -30.229 1.00 30.55 C ATOM 253 CG LEU A 22 -18.767 30.793 -31.097 1.00 29.61 C ATOM 254 CD1 LEU A 22 -18.785 30.375 -32.560 1.00 33.04 C ATOM 255 CD2 LEU A 22 -20.058 31.522 -30.738 1.00 33.87 C ATOM 256 HA LEU A 22 -19.515 30.059 -28.315 1.00 0.00 H ATOM 257 HB2 LEU A 22 -17.813 28.977 -30.560 1.00 0.00 H ATOM 258 HB3 LEU A 22 -19.587 28.957 -30.426 1.00 0.00 H ATOM 259 HG LEU A 22 -17.912 31.448 -30.930 1.00 0.00 H ATOM 260 HD21 LEU A 22 -20.909 30.869 -30.934 1.00 0.00 H ATOM 261 HD22 LEU A 22 -20.040 31.791 -29.682 1.00 0.00 H ATOM 262 HD23 LEU A 22 -20.144 32.425 -31.343 1.00 0.00 H ATOM 263 HD11 LEU A 22 -17.874 29.823 -32.790 1.00 0.00 H ATOM 264 HD12 LEU A 22 -19.652 29.741 -32.745 1.00 0.00 H ATOM 265 HD13 LEU A 22 -18.842 31.263 -33.190 1.00 0.00 H ATOM 266 H LEU A 22 -16.604 30.588 -28.910 1.00 0.00 H ATOM 267 N SER A 23 -19.242 27.490 -27.911 1.00 32.40 N ATOM 268 CA SER A 23 -18.992 26.156 -27.416 1.00 33.33 C ATOM 269 C SER A 23 -19.846 25.144 -28.115 1.00 34.36 C ATOM 270 O SER A 23 -21.002 25.406 -28.517 1.00 34.47 O ATOM 271 CB SER A 23 -19.225 26.081 -25.893 1.00 36.27 C ATOM 272 OG SER A 23 -20.481 26.614 -25.549 1.00 37.23 O ATOM 273 HA SER A 23 -17.947 25.924 -27.624 1.00 0.00 H ATOM 274 HB2 SER A 23 -18.445 26.648 -25.384 1.00 0.00 H ATOM 275 HB3 SER A 23 -19.180 25.039 -25.576 1.00 0.00 H ATOM 276 HG SER A 23 -21.193 26.099 -26.006 1.00 0.00 H ATOM 277 H SER A 23 -20.218 27.799 -28.096 1.00 0.00 H ATOM 278 N CYS A 24 -19.289 23.954 -28.225 1.00 35.32 N ATOM 279 CA CYS A 24 -20.057 22.879 -28.792 1.00 38.05 C ATOM 280 C CYS A 24 -20.272 21.745 -27.787 1.00 39.03 C ATOM 281 O CYS A 24 -19.333 21.308 -27.128 1.00 40.51 O ATOM 282 CB CYS A 24 -19.429 22.409 -30.107 1.00 36.43 C ATOM 283 SG CYS A 24 -20.475 21.125 -30.803 1.00 41.94 S ATOM 284 HA CYS A 24 -21.053 23.251 -29.030 1.00 0.00 H ATOM 285 HB2 CYS A 24 -18.432 22.011 -29.918 1.00 0.00 H ATOM 286 HB3 CYS A 24 -19.359 23.245 -30.802 1.00 0.00 H ATOM 287 H CYS A 24 -18.311 23.796 -27.907 1.00 0.00 H ATOM 288 N ALA A 25 -21.518 21.298 -27.669 1.00 40.37 N ATOM 289 CA ALA A 25 -21.916 20.221 -26.769 1.00 42.32 C ATOM 290 C ALA A 25 -22.617 19.093 -27.540 1.00 44.00 C ATOM 291 O ALA A 25 -23.024 19.265 -28.700 1.00 43.34 O ATOM 292 CB ALA A 25 -22.857 20.777 -25.639 1.00 43.15 C ATOM 293 HA ALA A 25 -21.017 19.810 -26.309 1.00 0.00 H ATOM 294 HB1 ALA A 25 -22.327 21.541 -25.070 1.00 0.00 H ATOM 295 HB2 ALA A 25 -23.748 21.212 -26.091 1.00 0.00 H ATOM 296 HB3 ALA A 25 -23.146 19.962 -24.975 1.00 0.00 H ATOM 297 H ALA A 25 -22.254 21.743 -28.254 1.00 0.00 H ATOM 298 N ALA A 26 -22.739 17.932 -26.912 1.00 45.89 N ATOM 299 CA ALA A 26 -23.329 16.781 -27.587 1.00 48.64 C ATOM 300 C ALA A 26 -24.417 16.184 -26.715 1.00 51.39 C ATOM 301 O ALA A 26 -24.291 16.188 -25.499 1.00 52.17 O ATOM 302 CB ALA A 26 -22.272 15.748 -27.901 1.00 47.51 C ATOM 303 HA ALA A 26 -23.768 17.108 -28.529 1.00 0.00 H ATOM 304 HB1 ALA A 26 -21.516 16.189 -28.551 1.00 0.00 H ATOM 305 HB2 ALA A 26 -21.806 15.413 -26.974 1.00 0.00 H ATOM 306 HB3 ALA A 26 -22.734 14.899 -28.404 1.00 0.00 H ATOM 307 H ALA A 26 -22.411 17.841 -25.929 1.00 0.00 H ATOM 308 N SER A 27 -25.467 15.640 -27.335 1.00 54.48 N ATOM 309 CA SER A 27 -26.562 15.006 -26.561 1.00 58.55 C ATOM 310 C SER A 27 -26.219 13.633 -25.989 1.00 61.12 C ATOM 311 O SER A 27 -26.902 13.163 -25.083 1.00 64.13 O ATOM 312 CB SER A 27 -27.891 14.950 -27.338 1.00 60.06 C ATOM 313 OG SER A 27 -27.784 14.226 -28.553 1.00 60.48 O ATOM 314 HA SER A 27 -26.693 15.672 -25.708 1.00 0.00 H ATOM 315 HB2 SER A 27 -28.206 15.969 -27.565 1.00 0.00 H ATOM 316 HB3 SER A 27 -28.642 14.470 -26.711 1.00 0.00 H ATOM 317 HG SER A 27 -28.662 14.221 -29.011 1.00 0.00 H ATOM 318 H SER A 27 -25.518 15.661 -28.374 1.00 0.00 H ATOM 319 N ARG A 28 -25.173 12.991 -26.519 1.00 60.00 N ATOM 320 CA ARG A 28 -24.699 11.693 -25.995 1.00 63.12 C ATOM 321 C ARG A 28 -23.174 11.618 -26.089 1.00 60.05 C ATOM 322 O ARG A 28 -22.568 12.351 -26.836 1.00 56.64 O ATOM 323 CB ARG A 28 -25.329 10.491 -26.746 1.00 65.62 C ATOM 324 CG ARG A 28 -26.793 10.648 -27.173 1.00 69.08 C ATOM 325 CD ARG A 28 -27.139 9.769 -28.399 1.00 72.15 C ATOM 326 NE ARG A 28 -27.625 8.454 -28.018 1.00 81.28 N ATOM 327 CZ ARG A 28 -28.225 7.587 -28.839 1.00 85.75 C ATOM 328 NH1 ARG A 28 -28.383 7.866 -30.135 1.00 84.12 N ATOM 329 NH2 ARG A 28 -28.649 6.419 -28.361 1.00 87.63 N ATOM 330 HA ARG A 28 -25.012 11.630 -24.953 1.00 0.00 H ATOM 331 HB2 ARG A 28 -24.738 10.314 -27.645 1.00 0.00 H ATOM 332 HB3 ARG A 28 -25.265 9.621 -26.093 1.00 0.00 H ATOM 333 HG2 ARG A 28 -27.435 10.360 -26.341 1.00 0.00 H ATOM 334 HG3 ARG A 28 -26.976 11.692 -27.426 1.00 0.00 H ATOM 335 HD2 ARG A 28 -26.243 9.649 -29.008 1.00 0.00 H ATOM 336 HD3 ARG A 28 -27.909 10.271 -28.984 1.00 0.00 H ATOM 337 HE ARG A 28 -27.496 8.164 -27.028 1.00 0.00 H ATOM 338 HH12 ARG A 28 -28.852 7.181 -30.761 1.00 0.00 H ATOM 339 HH11 ARG A 28 -28.037 8.769 -30.519 1.00 0.00 H ATOM 340 HH22 ARG A 28 -29.117 5.738 -28.992 1.00 0.00 H ATOM 341 HH21 ARG A 28 -28.512 6.188 -27.356 1.00 0.00 H ATOM 342 H ARG A 28 -24.677 13.419 -27.326 1.00 0.00 H ATOM 343 N ARG A 29 -22.554 10.747 -25.307 1.00 62.59 N ATOM 344 CA ARG A 29 -21.119 10.508 -25.435 1.00 60.89 C ATOM 345 C ARG A 29 -20.899 9.313 -26.314 1.00 61.45 C ATOM 346 O ARG A 29 -21.722 8.399 -26.328 1.00 64.74 O ATOM 347 CB ARG A 29 -20.491 10.212 -24.080 1.00 63.15 C ATOM 348 CG ARG A 29 -20.076 11.432 -23.317 1.00 62.56 C ATOM 349 CD ARG A 29 -19.559 11.023 -21.967 1.00 67.16 C ATOM 350 NE ARG A 29 -19.013 12.172 -21.266 1.00 68.25 N ATOM 351 CZ ARG A 29 -17.739 12.542 -21.328 1.00 68.07 C ATOM 352 NH1 ARG A 29 -16.865 11.836 -22.058 1.00 66.56 N ATOM 353 NH2 ARG A 29 -17.343 13.619 -20.661 1.00 65.51 N ATOM 354 HA ARG A 29 -20.661 11.402 -25.858 1.00 0.00 H ATOM 355 HB2 ARG A 29 -21.216 9.663 -23.479 1.00 0.00 H ATOM 356 HB3 ARG A 29 -19.609 9.592 -24.240 1.00 0.00 H ATOM 357 HG2 ARG A 29 -19.292 11.955 -23.864 1.00 0.00 H ATOM 358 HG3 ARG A 29 -20.933 12.093 -23.193 1.00 0.00 H ATOM 359 HD2 ARG A 29 -18.777 10.274 -22.093 1.00 0.00 H ATOM 360 HD3 ARG A 29 -20.376 10.600 -21.382 1.00 0.00 H ATOM 361 HE ARG A 29 -19.659 12.739 -20.680 1.00 0.00 H ATOM 362 HH12 ARG A 29 -15.868 12.130 -22.103 1.00 0.00 H ATOM 363 HH11 ARG A 29 -17.183 10.994 -22.579 1.00 0.00 H ATOM 364 HH22 ARG A 29 -16.348 13.919 -20.701 1.00 0.00 H ATOM 365 HH21 ARG A 29 -18.028 14.163 -20.098 1.00 0.00 H ATOM 366 H ARG A 29 -23.098 10.225 -24.590 1.00 0.00 H ATOM 367 N SER A 30 -19.761 9.299 -26.994 1.00 58.81 N ATOM 368 CA SER A 30 -19.376 8.204 -27.866 1.00 59.57 C ATOM 369 C SER A 30 -18.159 7.505 -27.282 1.00 60.98 C ATOM 370 O SER A 30 -17.343 8.132 -26.603 1.00 58.96 O ATOM 371 CB SER A 30 -19.032 8.750 -29.256 1.00 56.43 C ATOM 372 OG SER A 30 -18.735 7.709 -30.158 1.00 55.82 O ATOM 373 HA SER A 30 -20.201 7.497 -27.951 1.00 0.00 H ATOM 374 HB2 SER A 30 -18.166 9.407 -29.175 1.00 0.00 H ATOM 375 HB3 SER A 30 -19.882 9.317 -29.635 1.00 0.00 H ATOM 376 HG SER A 30 -19.520 7.111 -30.240 1.00 0.00 H ATOM 377 H SER A 30 -19.115 10.109 -26.898 1.00 0.00 H ATOM 378 N SER A 31 -18.033 6.210 -27.557 1.00 63.71 N ATOM 379 CA SER A 31 -16.869 5.441 -27.111 1.00 66.16 C ATOM 380 C SER A 31 -15.669 5.584 -28.052 1.00 63.94 C ATOM 381 O SER A 31 -14.561 5.153 -27.722 1.00 64.82 O ATOM 382 CB SER A 31 -17.231 3.964 -26.969 1.00 69.91 C ATOM 383 OG SER A 31 -17.381 3.386 -28.251 1.00 70.64 O ATOM 384 HA SER A 31 -16.578 5.850 -26.143 1.00 0.00 H ATOM 385 HB2 SER A 31 -18.166 3.871 -26.417 1.00 0.00 H ATOM 386 HB3 SER A 31 -16.439 3.447 -26.428 1.00 0.00 H ATOM 387 HG SER A 31 -18.101 3.856 -28.741 1.00 0.00 H ATOM 388 H SER A 31 -18.779 5.732 -28.102 1.00 0.00 H ATOM 389 N ARG A 32 -15.906 6.157 -29.230 1.00 61.51 N ATOM 390 CA ARG A 32 -14.845 6.413 -30.207 1.00 59.39 C ATOM 391 C ARG A 32 -14.340 7.840 -30.105 1.00 56.24 C ATOM 392 O ARG A 32 -15.070 8.753 -29.703 1.00 55.30 O ATOM 393 CB ARG A 32 -15.340 6.186 -31.637 1.00 58.29 C ATOM 394 CG ARG A 32 -15.482 4.749 -32.040 1.00 62.90 C ATOM 395 CD ARG A 32 -16.451 4.642 -33.189 1.00 66.21 C ATOM 396 NE ARG A 32 -16.031 3.586 -34.102 1.00 72.33 N ATOM 397 CZ ARG A 32 -15.273 3.771 -35.188 1.00 73.16 C ATOM 398 NH1 ARG A 32 -14.863 5.005 -35.538 1.00 69.75 N ATOM 399 NH2 ARG A 32 -14.940 2.714 -35.940 1.00 72.17 N ATOM 400 HA ARG A 32 -14.038 5.716 -29.981 1.00 0.00 H ATOM 401 HB2 ARG A 32 -16.315 6.663 -31.737 1.00 0.00 H ATOM 402 HB3 ARG A 32 -14.634 6.660 -32.318 1.00 0.00 H ATOM 403 HG2 ARG A 32 -14.511 4.360 -32.346 1.00 0.00 H ATOM 404 HG3 ARG A 32 -15.855 4.170 -31.195 1.00 0.00 H ATOM 405 HD2 ARG A 32 -16.482 5.591 -33.725 1.00 0.00 H ATOM 406 HD3 ARG A 32 -17.444 4.412 -32.803 1.00 0.00 H ATOM 407 HE ARG A 32 -16.344 2.617 -33.893 1.00 0.00 H ATOM 408 HH12 ARG A 32 -14.274 5.136 -36.385 1.00 0.00 H ATOM 409 HH11 ARG A 32 -15.136 5.827 -34.961 1.00 0.00 H ATOM 410 HH22 ARG A 32 -14.351 2.843 -36.787 1.00 0.00 H ATOM 411 HH21 ARG A 32 -15.270 1.764 -35.677 1.00 0.00 H ATOM 412 H ARG A 32 -16.881 6.433 -29.465 1.00 0.00 H ATOM 413 N SER A 33 -13.097 8.025 -30.523 1.00 54.64 N ATOM 414 CA SER A 33 -12.460 9.330 -30.539 1.00 52.37 C ATOM 415 C SER A 33 -12.822 10.060 -31.851 1.00 48.68 C ATOM 416 O SER A 33 -12.625 9.508 -32.930 1.00 49.56 O ATOM 417 CB SER A 33 -10.950 9.133 -30.385 1.00 52.18 C ATOM 418 OG SER A 33 -10.269 10.365 -30.342 1.00 54.06 O ATOM 419 HA SER A 33 -12.811 9.950 -29.714 1.00 0.00 H ATOM 420 HB2 SER A 33 -10.580 8.553 -31.231 1.00 0.00 H ATOM 421 HB3 SER A 33 -10.756 8.589 -29.461 1.00 0.00 H ATOM 422 HG SER A 33 -9.298 10.201 -30.242 1.00 0.00 H ATOM 423 H SER A 33 -12.555 7.202 -30.854 1.00 0.00 H ATOM 424 N TRP A 34 -13.427 11.246 -31.743 1.00 45.59 N ATOM 425 CA TRP A 34 -13.807 12.052 -32.914 1.00 41.66 C ATOM 426 C TRP A 34 -12.943 13.296 -33.114 1.00 38.92 C ATOM 427 O TRP A 34 -12.612 13.987 -32.160 1.00 37.70 O ATOM 428 CB TRP A 34 -15.274 12.483 -32.818 1.00 40.54 C ATOM 429 CG TRP A 34 -16.212 11.315 -32.739 1.00 44.55 C ATOM 430 CD1 TRP A 34 -16.615 10.671 -31.609 1.00 47.48 C ATOM 431 CD2 TRP A 34 -16.864 10.657 -33.832 1.00 46.65 C ATOM 432 NE1 TRP A 34 -17.485 9.658 -31.930 1.00 51.27 N ATOM 433 CE2 TRP A 34 -17.655 9.624 -33.286 1.00 48.92 C ATOM 434 CE3 TRP A 34 -16.868 10.849 -35.221 1.00 44.87 C ATOM 435 CZ2 TRP A 34 -18.427 8.762 -34.079 1.00 50.59 C ATOM 436 CZ3 TRP A 34 -17.648 9.998 -36.013 1.00 46.85 C ATOM 437 CH2 TRP A 34 -18.414 8.962 -35.435 1.00 48.91 C ATOM 438 HA TRP A 34 -13.649 11.403 -33.775 1.00 0.00 H ATOM 439 HB2 TRP A 34 -15.401 13.095 -31.925 1.00 0.00 H ATOM 440 HB3 TRP A 34 -15.524 13.073 -33.700 1.00 0.00 H ATOM 441 HE1 TRP A 34 -17.942 9.018 -31.249 1.00 0.00 H ATOM 442 HD1 TRP A 34 -16.294 10.923 -30.598 1.00 0.00 H ATOM 443 HZ2 TRP A 34 -19.017 7.961 -33.633 1.00 0.00 H ATOM 444 HH2 TRP A 34 -19.005 8.310 -36.078 1.00 0.00 H ATOM 445 HZ3 TRP A 34 -17.664 10.137 -37.094 1.00 0.00 H ATOM 446 HE3 TRP A 34 -16.276 11.644 -35.675 1.00 0.00 H ATOM 447 H TRP A 34 -13.638 11.614 -30.794 1.00 0.00 H ATOM 448 N ALA A 35 -12.591 13.590 -34.364 1.00 36.76 N ATOM 449 CA ALA A 35 -12.059 14.906 -34.666 1.00 34.32 C ATOM 450 C ALA A 35 -13.217 15.909 -34.709 1.00 33.89 C ATOM 451 O ALA A 35 -14.330 15.578 -35.108 1.00 33.58 O ATOM 452 CB ALA A 35 -11.331 14.885 -35.974 1.00 34.06 C ATOM 453 HA ALA A 35 -11.350 15.203 -33.893 1.00 0.00 H ATOM 454 HB1 ALA A 35 -10.508 14.172 -35.919 1.00 0.00 H ATOM 455 HB2 ALA A 35 -12.018 14.588 -36.766 1.00 0.00 H ATOM 456 HB3 ALA A 35 -10.938 15.879 -36.186 1.00 0.00 H ATOM 457 H ALA A 35 -12.697 12.882 -35.118 1.00 0.00 H ATOM 458 N MET A 36 -12.980 17.118 -34.221 1.00 33.09 N ATOM 459 CA MET A 36 -14.048 18.134 -34.247 1.00 32.39 C ATOM 460 C MET A 36 -13.595 19.366 -35.004 1.00 29.49 C ATOM 461 O MET A 36 -12.370 19.658 -35.070 1.00 31.48 O ATOM 462 CB MET A 36 -14.509 18.541 -32.818 1.00 33.22 C ATOM 463 CG MET A 36 -14.988 17.447 -31.914 1.00 31.58 C ATOM 464 SD MET A 36 -16.525 16.592 -32.304 1.00 32.80 S ATOM 465 CE MET A 36 -17.808 17.727 -31.718 1.00 32.73 C ATOM 466 HA MET A 36 -14.899 17.683 -34.758 1.00 0.00 H ATOM 467 HB2 MET A 36 -13.665 19.026 -32.327 1.00 0.00 H ATOM 468 HB3 MET A 36 -15.324 19.256 -32.928 1.00 0.00 H ATOM 469 HG2 MET A 36 -15.109 17.883 -30.923 1.00 0.00 H ATOM 470 HG3 MET A 36 -14.202 16.692 -31.884 1.00 0.00 H ATOM 471 HE1 MET A 36 -17.686 17.890 -30.647 1.00 0.00 H ATOM 472 HE2 MET A 36 -17.718 18.677 -32.244 1.00 0.00 H ATOM 473 HE3 MET A 36 -18.790 17.294 -31.911 1.00 0.00 H ATOM 474 H MET A 36 -12.047 17.348 -33.823 1.00 0.00 H ATOM 475 N ALA A 37 -14.577 20.076 -35.552 1.00 28.51 N ATOM 476 CA ALA A 37 -14.449 21.281 -36.377 1.00 27.47 C ATOM 477 C ALA A 37 -15.527 22.352 -36.130 1.00 28.31 C ATOM 478 O ALA A 37 -16.655 22.033 -35.753 1.00 30.21 O ATOM 479 CB ALA A 37 -14.498 20.894 -37.861 1.00 27.46 C ATOM 480 HA ALA A 37 -13.494 21.722 -36.093 1.00 0.00 H ATOM 481 HB1 ALA A 37 -13.678 20.212 -38.084 1.00 0.00 H ATOM 482 HB2 ALA A 37 -15.448 20.405 -38.077 1.00 0.00 H ATOM 483 HB3 ALA A 37 -14.403 21.791 -38.472 1.00 0.00 H ATOM 484 H ALA A 37 -15.545 19.738 -35.375 1.00 0.00 H ATOM 485 N TRP A 38 -15.200 23.596 -36.464 1.00 27.69 N ATOM 486 CA TRP A 38 -16.207 24.653 -36.673 1.00 27.84 C ATOM 487 C TRP A 38 -16.191 25.108 -38.120 1.00 27.81 C ATOM 488 O TRP A 38 -15.152 25.101 -38.776 1.00 25.83 O ATOM 489 CB TRP A 38 -15.867 25.883 -35.826 1.00 27.58 C ATOM 490 CG TRP A 38 -16.066 25.662 -34.411 1.00 24.41 C ATOM 491 CD1 TRP A 38 -15.160 25.167 -33.545 1.00 26.66 C ATOM 492 CD2 TRP A 38 -17.235 25.933 -33.670 1.00 26.75 C ATOM 493 NE1 TRP A 38 -15.664 25.135 -32.295 1.00 23.98 N ATOM 494 CE2 TRP A 38 -16.962 25.565 -32.336 1.00 28.80 C ATOM 495 CE3 TRP A 38 -18.522 26.383 -34.011 1.00 27.44 C ATOM 496 CZ2 TRP A 38 -17.904 25.706 -31.301 1.00 25.59 C ATOM 497 CZ3 TRP A 38 -19.439 26.540 -33.014 1.00 26.57 C ATOM 498 CH2 TRP A 38 -19.131 26.198 -31.651 1.00 27.83 C ATOM 499 HA TRP A 38 -17.179 24.243 -36.398 1.00 0.00 H ATOM 500 HB2 TRP A 38 -14.822 26.144 -35.994 1.00 0.00 H ATOM 501 HB3 TRP A 38 -16.502 26.710 -36.142 1.00 0.00 H ATOM 502 HE1 TRP A 38 -15.151 24.834 -31.442 1.00 0.00 H ATOM 503 HD1 TRP A 38 -14.157 24.838 -33.818 1.00 0.00 H ATOM 504 HZ2 TRP A 38 -17.668 25.437 -30.272 1.00 0.00 H ATOM 505 HH2 TRP A 38 -19.891 26.334 -30.882 1.00 0.00 H ATOM 506 HZ3 TRP A 38 -20.427 26.933 -33.255 1.00 0.00 H ATOM 507 HE3 TRP A 38 -18.781 26.601 -35.047 1.00 0.00 H ATOM 508 H TRP A 38 -14.194 23.833 -36.583 1.00 0.00 H ATOM 509 N PHE A 39 -17.376 25.452 -38.618 1.00 28.06 N ATOM 510 CA PHE A 39 -17.540 25.956 -39.955 1.00 28.62 C ATOM 511 C PHE A 39 -18.433 27.173 -39.764 1.00 29.34 C ATOM 512 O PHE A 39 -19.047 27.331 -38.691 1.00 28.30 O ATOM 513 CB PHE A 39 -18.242 24.920 -40.851 1.00 30.44 C ATOM 514 CG PHE A 39 -17.322 23.830 -41.431 1.00 29.79 C ATOM 515 CD1 PHE A 39 -16.978 23.832 -42.780 1.00 31.50 C ATOM 516 CD2 PHE A 39 -16.911 22.750 -40.653 1.00 28.64 C ATOM 517 CE1 PHE A 39 -16.176 22.800 -43.336 1.00 29.17 C ATOM 518 CE2 PHE A 39 -16.123 21.739 -41.191 1.00 27.23 C ATOM 519 CZ PHE A 39 -15.766 21.752 -42.531 1.00 24.39 C ATOM 520 HA PHE A 39 -16.590 26.185 -40.439 1.00 0.00 H ATOM 521 HB2 PHE A 39 -19.016 24.430 -40.260 1.00 0.00 H ATOM 522 HB3 PHE A 39 -18.704 25.451 -41.683 1.00 0.00 H ATOM 523 HD2 PHE A 39 -17.212 22.697 -39.607 1.00 0.00 H ATOM 524 HE2 PHE A 39 -15.781 20.925 -40.551 1.00 0.00 H ATOM 525 HZ PHE A 39 -15.167 20.942 -42.947 1.00 0.00 H ATOM 526 HE1 PHE A 39 -15.886 22.833 -44.386 1.00 0.00 H ATOM 527 HD1 PHE A 39 -17.330 24.640 -43.421 1.00 0.00 H ATOM 528 H PHE A 39 -18.218 25.352 -38.016 1.00 0.00 H ATOM 529 N ARG A 40 -18.458 28.060 -40.760 1.00 30.30 N ATOM 530 CA ARG A 40 -19.361 29.216 -40.734 1.00 32.32 C ATOM 531 C ARG A 40 -19.982 29.477 -42.108 1.00 35.18 C ATOM 532 O ARG A 40 -19.436 29.075 -43.161 1.00 34.88 O ATOM 533 CB ARG A 40 -18.618 30.458 -40.199 1.00 32.16 C ATOM 534 CG ARG A 40 -17.682 31.112 -41.174 1.00 28.90 C ATOM 535 CD ARG A 40 -16.878 32.198 -40.477 1.00 29.65 C ATOM 536 NE ARG A 40 -15.831 32.678 -41.349 1.00 28.16 N ATOM 537 CZ ARG A 40 -14.879 33.556 -41.039 1.00 31.24 C ATOM 538 NH1 ARG A 40 -14.824 34.143 -39.848 1.00 32.47 N ATOM 539 NH2 ARG A 40 -13.976 33.870 -41.956 1.00 30.06 N ATOM 540 HA ARG A 40 -20.185 28.992 -40.056 1.00 0.00 H ATOM 541 HB2 ARG A 40 -19.364 31.195 -39.901 1.00 0.00 H ATOM 542 HB3 ARG A 40 -18.039 30.155 -39.327 1.00 0.00 H ATOM 543 HG2 ARG A 40 -17.002 30.363 -41.579 1.00 0.00 H ATOM 544 HG3 ARG A 40 -18.258 31.555 -41.986 1.00 0.00 H ATOM 545 HD2 ARG A 40 -16.433 31.791 -39.569 1.00 0.00 H ATOM 546 HD3 ARG A 40 -17.538 33.025 -40.217 1.00 0.00 H ATOM 547 HE ARG A 40 -15.820 32.299 -42.318 1.00 0.00 H ATOM 548 HH12 ARG A 40 -14.067 34.824 -39.639 1.00 0.00 H ATOM 549 HH11 ARG A 40 -15.538 33.921 -39.125 1.00 0.00 H ATOM 550 HH22 ARG A 40 -13.225 34.554 -41.733 1.00 0.00 H ATOM 551 HH21 ARG A 40 -14.018 33.433 -42.899 1.00 0.00 H ATOM 552 H ARG A 40 -17.823 27.929 -41.573 1.00 0.00 H ATOM 553 N GLN A 41 -21.137 30.136 -42.114 1.00 38.37 N ATOM 554 CA GLN A 41 -21.824 30.380 -43.368 1.00 41.44 C ATOM 555 C GLN A 41 -22.506 31.756 -43.407 1.00 44.18 C ATOM 556 O GLN A 41 -23.543 32.000 -42.718 1.00 42.03 O ATOM 557 CB GLN A 41 -22.816 29.247 -43.663 1.00 42.83 C ATOM 558 CG GLN A 41 -23.421 29.296 -45.060 1.00 49.11 C ATOM 559 CD GLN A 41 -24.524 28.248 -45.280 1.00 56.36 C ATOM 560 OE1 GLN A 41 -24.787 27.411 -44.412 1.00 57.62 O ATOM 561 NE2 GLN A 41 -25.188 28.313 -46.444 1.00 61.05 N ATOM 562 HA GLN A 41 -21.072 30.393 -44.157 1.00 0.00 H ATOM 563 HB2 GLN A 41 -22.294 28.297 -43.549 1.00 0.00 H ATOM 564 HB3 GLN A 41 -23.627 29.304 -42.937 1.00 0.00 H ATOM 565 HG2 GLN A 41 -23.847 30.287 -45.219 1.00 0.00 H ATOM 566 HG3 GLN A 41 -22.628 29.123 -45.787 1.00 0.00 H ATOM 567 HE22 GLN A 41 -24.934 29.035 -47.148 1.00 0.00 H ATOM 568 HE21 GLN A 41 -25.957 27.642 -46.642 1.00 0.00 H ATOM 569 H GLN A 41 -21.547 30.476 -41.221 1.00 0.00 H ATOM 570 N ALA A 42 -21.932 32.640 -44.235 1.00 44.60 N ATOM 571 CA ALA A 42 -22.481 33.983 -44.430 1.00 48.38 C ATOM 572 C ALA A 42 -23.680 34.010 -45.390 1.00 52.06 C ATOM 573 O ALA A 42 -23.948 33.034 -46.092 1.00 52.25 O ATOM 574 CB ALA A 42 -21.387 34.957 -44.867 1.00 48.80 C ATOM 575 HA ALA A 42 -22.866 34.309 -43.464 1.00 0.00 H ATOM 576 HB1 ALA A 42 -20.613 35.000 -44.100 1.00 0.00 H ATOM 577 HB2 ALA A 42 -20.951 34.615 -45.806 1.00 0.00 H ATOM 578 HB3 ALA A 42 -21.819 35.948 -45.006 1.00 0.00 H ATOM 579 H ALA A 42 -21.073 32.364 -44.753 1.00 0.00 H ATOM 580 N PRO A 43 -24.457 35.110 -45.367 1.00 56.48 N ATOM 581 CA PRO A 43 -25.770 35.219 -46.010 1.00 60.11 C ATOM 582 C PRO A 43 -25.985 34.559 -47.390 1.00 63.22 C ATOM 583 O PRO A 43 -27.110 34.106 -47.705 1.00 65.81 O ATOM 584 CB PRO A 43 -25.970 36.738 -46.097 1.00 62.75 C ATOM 585 CG PRO A 43 -24.947 37.350 -45.052 1.00 59.31 C ATOM 586 CD PRO A 43 -24.266 36.207 -44.395 1.00 55.67 C ATOM 587 HA PRO A 43 -26.493 34.656 -45.420 1.00 0.00 H ATOM 588 HD3 PRO A 43 -23.207 36.416 -44.241 1.00 0.00 H ATOM 589 HD2 PRO A 43 -24.731 35.970 -43.438 1.00 0.00 H ATOM 590 HG3 PRO A 43 -25.479 37.946 -44.311 1.00 0.00 H ATOM 591 HG2 PRO A 43 -24.217 37.977 -45.564 1.00 0.00 H ATOM 592 HB2 PRO A 43 -25.750 37.096 -47.103 1.00 0.00 H ATOM 593 HB3 PRO A 43 -26.993 37.005 -45.833 1.00 0.00 H ATOM 594 N GLY A 44 -24.959 34.540 -48.231 1.00 62.62 N ATOM 595 CA GLY A 44 -25.163 34.095 -49.608 1.00 65.12 C ATOM 596 C GLY A 44 -24.187 33.037 -50.085 1.00 63.70 C ATOM 597 O GLY A 44 -24.243 32.611 -51.246 1.00 65.82 O ATOM 598 HA3 GLY A 44 -25.070 34.962 -50.262 1.00 0.00 H ATOM 599 HA2 GLY A 44 -26.171 33.688 -49.687 1.00 0.00 H ATOM 600 H GLY A 44 -24.016 34.840 -47.912 1.00 0.00 H ATOM 601 N LYS A 45 -23.315 32.593 -49.181 1.00 60.07 N ATOM 602 CA LYS A 45 -22.107 31.866 -49.551 1.00 58.10 C ATOM 603 C LYS A 45 -22.118 30.396 -49.133 1.00 56.23 C ATOM 604 O LYS A 45 -23.092 29.901 -48.564 1.00 55.99 O ATOM 605 CB LYS A 45 -20.884 32.562 -48.967 1.00 56.39 C ATOM 606 CG LYS A 45 -20.668 33.982 -49.468 1.00 59.56 C ATOM 607 CD LYS A 45 -19.619 34.688 -48.609 1.00 59.63 C ATOM 608 CE LYS A 45 -18.197 34.248 -48.974 1.00 59.98 C ATOM 609 NZ LYS A 45 -17.226 34.844 -48.019 1.00 58.31 N ATOM 610 HA LYS A 45 -22.067 31.873 -50.640 1.00 0.00 H ATOM 611 HB2 LYS A 45 -20.996 32.596 -47.883 1.00 0.00 H ATOM 612 HB3 LYS A 45 -20.003 31.973 -49.221 1.00 0.00 H ATOM 613 HG2 LYS A 45 -20.326 33.952 -50.503 1.00 0.00 H ATOM 614 HG3 LYS A 45 -21.608 34.531 -49.413 1.00 0.00 H ATOM 615 HD2 LYS A 45 -19.705 35.764 -48.759 1.00 0.00 H ATOM 616 HD3 LYS A 45 -19.804 34.453 -47.561 1.00 0.00 H ATOM 617 HE2 LYS A 45 -17.963 34.582 -49.985 1.00 0.00 H ATOM 618 HE3 LYS A 45 -18.131 33.161 -48.927 1.00 0.00 H ATOM 619 HZ1 LYS A 45 -17.289 35.881 -48.065 1.00 0.00 H ATOM 620 HZ2 LYS A 45 -17.449 34.524 -47.055 1.00 0.00 H ATOM 621 HZ3 LYS A 45 -16.263 34.542 -48.272 1.00 0.00 H ATOM 622 H LYS A 45 -23.503 32.772 -48.174 1.00 0.00 H ATOM 623 N GLU A 46 -21.038 29.692 -49.463 1.00 54.54 N ATOM 624 CA GLU A 46 -20.854 28.327 -48.969 1.00 52.91 C ATOM 625 C GLU A 46 -20.499 28.376 -47.497 1.00 50.02 C ATOM 626 O GLU A 46 -19.832 29.303 -47.030 1.00 47.39 O ATOM 627 CB GLU A 46 -19.705 27.584 -49.680 1.00 52.99 C ATOM 628 CG GLU A 46 -19.434 27.957 -51.116 1.00 56.76 C ATOM 629 CD GLU A 46 -20.340 27.234 -52.088 1.00 63.25 C ATOM 630 OE1 GLU A 46 -21.406 26.698 -51.673 1.00 63.60 O ATOM 631 OE2 GLU A 46 -19.987 27.221 -53.291 1.00 67.68 O ATOM 632 HA GLU A 46 -21.788 27.798 -49.158 1.00 0.00 H ATOM 633 HB2 GLU A 46 -18.792 27.770 -49.114 1.00 0.00 H ATOM 634 HB3 GLU A 46 -19.936 26.519 -49.654 1.00 0.00 H ATOM 635 HG2 GLU A 46 -19.584 29.030 -51.232 1.00 0.00 H ATOM 636 HG3 GLU A 46 -18.399 27.708 -51.352 1.00 0.00 H ATOM 637 H GLU A 46 -20.316 30.117 -50.079 1.00 0.00 H ATOM 638 N ARG A 47 -20.935 27.344 -46.791 1.00 48.38 N ATOM 639 CA ARG A 47 -20.359 26.980 -45.530 1.00 46.21 C ATOM 640 C ARG A 47 -18.840 26.808 -45.708 1.00 43.92 C ATOM 641 O ARG A 47 -18.397 26.055 -46.556 1.00 45.36 O ATOM 642 CB ARG A 47 -20.997 25.681 -45.071 1.00 45.36 C ATOM 643 CG ARG A 47 -21.168 25.598 -43.585 1.00 45.53 C ATOM 644 CD ARG A 47 -21.839 24.294 -43.211 1.00 47.30 C ATOM 645 NE ARG A 47 -23.248 24.304 -43.560 1.00 49.93 N ATOM 646 CZ ARG A 47 -24.137 23.482 -43.021 1.00 54.97 C ATOM 647 NH1 ARG A 47 -23.739 22.596 -42.123 1.00 55.23 N ATOM 648 NH2 ARG A 47 -25.417 23.522 -43.385 1.00 57.18 N ATOM 649 HA ARG A 47 -20.537 27.751 -44.781 1.00 0.00 H ATOM 650 HB2 ARG A 47 -21.978 25.593 -45.538 1.00 0.00 H ATOM 651 HB3 ARG A 47 -20.367 24.852 -45.394 1.00 0.00 H ATOM 652 HG2 ARG A 47 -20.190 25.651 -43.106 1.00 0.00 H ATOM 653 HG3 ARG A 47 -21.784 26.431 -43.245 1.00 0.00 H ATOM 654 HD2 ARG A 47 -21.741 24.140 -42.136 1.00 0.00 H ATOM 655 HD3 ARG A 47 -21.348 23.478 -43.741 1.00 0.00 H ATOM 656 HE ARG A 47 -23.576 24.991 -44.269 1.00 0.00 H ATOM 657 HH12 ARG A 47 -24.428 21.946 -41.693 1.00 0.00 H ATOM 658 HH11 ARG A 47 -22.737 22.550 -41.847 1.00 0.00 H ATOM 659 HH22 ARG A 47 -26.101 22.870 -42.952 1.00 0.00 H ATOM 660 HH21 ARG A 47 -25.732 24.206 -44.102 1.00 0.00 H ATOM 661 H ARG A 47 -21.723 26.778 -47.165 1.00 0.00 H ATOM 662 N GLU A 48 -18.060 27.499 -44.894 1.00 41.95 N ATOM 663 CA GLU A 48 -16.633 27.661 -45.105 1.00 39.19 C ATOM 664 C GLU A 48 -15.917 27.085 -43.883 1.00 36.05 C ATOM 665 O GLU A 48 -16.424 27.197 -42.772 1.00 35.64 O ATOM 666 CB GLU A 48 -16.388 29.174 -45.262 1.00 41.33 C ATOM 667 CG GLU A 48 -14.981 29.755 -44.966 1.00 43.41 C ATOM 668 CD GLU A 48 -14.946 31.309 -45.159 1.00 50.86 C ATOM 669 OE1 GLU A 48 -15.690 31.808 -46.037 1.00 54.88 O ATOM 670 OE2 GLU A 48 -14.156 32.030 -44.491 1.00 51.13 O ATOM 671 HA GLU A 48 -16.260 27.143 -45.989 1.00 0.00 H ATOM 672 HB2 GLU A 48 -16.625 29.428 -46.295 1.00 0.00 H ATOM 673 HB3 GLU A 48 -17.087 29.679 -44.595 1.00 0.00 H ATOM 674 HG2 GLU A 48 -14.710 29.520 -43.937 1.00 0.00 H ATOM 675 HG3 GLU A 48 -14.260 29.298 -45.643 1.00 0.00 H ATOM 676 H GLU A 48 -18.490 27.949 -44.061 1.00 0.00 H ATOM 677 N PHE A 49 -14.747 26.467 -44.076 1.00 33.16 N ATOM 678 CA PHE A 49 -13.989 25.894 -42.987 1.00 29.67 C ATOM 679 C PHE A 49 -13.439 26.986 -42.044 1.00 29.53 C ATOM 680 O PHE A 49 -12.839 27.978 -42.509 1.00 31.21 O ATOM 681 CB PHE A 49 -12.836 25.010 -43.536 1.00 30.27 C ATOM 682 CG PHE A 49 -11.846 24.584 -42.486 1.00 27.89 C ATOM 683 CD1 PHE A 49 -12.232 23.760 -41.464 1.00 25.86 C ATOM 684 CD2 PHE A 49 -10.535 25.074 -42.466 1.00 29.64 C ATOM 685 CE1 PHE A 49 -11.362 23.352 -40.480 1.00 22.10 C ATOM 686 CE2 PHE A 49 -9.675 24.713 -41.425 1.00 24.89 C ATOM 687 CZ PHE A 49 -10.085 23.850 -40.444 1.00 25.81 C ATOM 688 HA PHE A 49 -14.663 25.266 -42.404 1.00 0.00 H ATOM 689 HB2 PHE A 49 -13.271 24.116 -43.982 1.00 0.00 H ATOM 690 HB3 PHE A 49 -12.304 25.575 -44.302 1.00 0.00 H ATOM 691 HD2 PHE A 49 -10.186 25.735 -43.259 1.00 0.00 H ATOM 692 HE2 PHE A 49 -8.666 25.123 -41.394 1.00 0.00 H ATOM 693 HZ PHE A 49 -9.404 23.562 -39.643 1.00 0.00 H ATOM 694 HE1 PHE A 49 -11.688 22.633 -39.729 1.00 0.00 H ATOM 695 HD1 PHE A 49 -13.265 23.415 -41.429 1.00 0.00 H ATOM 696 H PHE A 49 -14.370 26.396 -45.043 1.00 0.00 H ATOM 697 N VAL A 50 -13.494 26.744 -40.733 1.00 26.49 N ATOM 698 CA VAL A 50 -12.950 27.688 -39.766 1.00 25.49 C ATOM 699 C VAL A 50 -11.774 27.057 -38.986 1.00 24.75 C ATOM 700 O VAL A 50 -10.656 27.544 -39.027 1.00 26.75 O ATOM 701 CB VAL A 50 -14.087 28.231 -38.791 1.00 26.16 C ATOM 702 CG1 VAL A 50 -13.501 29.002 -37.668 1.00 25.87 C ATOM 703 CG2 VAL A 50 -15.119 29.099 -39.542 1.00 22.33 C ATOM 704 HA VAL A 50 -12.558 28.547 -40.310 1.00 0.00 H ATOM 705 HB VAL A 50 -14.604 27.360 -38.390 1.00 0.00 H ATOM 706 HG11 VAL A 50 -12.830 28.359 -37.099 1.00 0.00 H ATOM 707 HG12 VAL A 50 -12.944 29.851 -38.064 1.00 0.00 H ATOM 708 HG13 VAL A 50 -14.300 29.360 -37.019 1.00 0.00 H ATOM 709 HG21 VAL A 50 -14.614 29.955 -39.991 1.00 0.00 H ATOM 710 HG22 VAL A 50 -15.592 28.504 -40.323 1.00 0.00 H ATOM 711 HG23 VAL A 50 -15.877 29.449 -38.841 1.00 0.00 H ATOM 712 H VAL A 50 -13.934 25.864 -40.395 1.00 0.00 H ATOM 713 N ALA A 51 -12.044 26.021 -38.211 1.00 25.87 N ATOM 714 CA ALA A 51 -11.013 25.354 -37.406 1.00 23.53 C ATOM 715 C ALA A 51 -11.387 23.918 -37.163 1.00 25.78 C ATOM 716 O ALA A 51 -12.619 23.536 -37.155 1.00 26.53 O ATOM 717 CB ALA A 51 -10.795 26.081 -36.068 1.00 23.62 C ATOM 718 HA ALA A 51 -10.078 25.387 -37.965 1.00 0.00 H ATOM 719 HB1 ALA A 51 -10.478 27.106 -36.260 1.00 0.00 H ATOM 720 HB2 ALA A 51 -11.727 26.088 -35.504 1.00 0.00 H ATOM 721 HB3 ALA A 51 -10.026 25.563 -35.495 1.00 0.00 H ATOM 722 H ALA A 51 -13.021 25.666 -38.170 1.00 0.00 H ATOM 723 N LYS A 52 -10.343 23.098 -37.047 1.00 25.74 N ATOM 724 CA LYS A 52 -10.474 21.707 -36.650 1.00 26.83 C ATOM 725 C LYS A 52 -9.438 21.242 -35.583 1.00 27.01 C ATOM 726 O LYS A 52 -8.354 21.838 -35.440 1.00 27.68 O ATOM 727 CB LYS A 52 -10.453 20.801 -37.873 1.00 26.13 C ATOM 728 CG LYS A 52 -9.083 20.533 -38.455 1.00 26.94 C ATOM 729 CD LYS A 52 -9.131 19.442 -39.532 1.00 26.28 C ATOM 730 CE LYS A 52 -7.950 19.563 -40.506 1.00 25.47 C ATOM 731 NZ LYS A 52 -7.940 18.518 -41.559 1.00 26.21 N ATOM 732 HA LYS A 52 -11.442 21.626 -36.156 1.00 0.00 H ATOM 733 HB2 LYS A 52 -10.893 19.844 -37.591 1.00 0.00 H ATOM 734 HB3 LYS A 52 -11.063 21.266 -38.647 1.00 0.00 H ATOM 735 HG2 LYS A 52 -8.701 21.452 -38.899 1.00 0.00 H ATOM 736 HG3 LYS A 52 -8.415 20.212 -37.655 1.00 0.00 H ATOM 737 HD2 LYS A 52 -9.094 18.465 -39.050 1.00 0.00 H ATOM 738 HD3 LYS A 52 -10.062 19.535 -40.090 1.00 0.00 H ATOM 739 HE2 LYS A 52 -7.024 19.488 -39.936 1.00 0.00 H ATOM 740 HE3 LYS A 52 -8.000 20.539 -40.989 1.00 0.00 H ATOM 741 HZ1 LYS A 52 -7.882 17.580 -41.114 1.00 0.00 H ATOM 742 HZ2 LYS A 52 -8.814 18.584 -42.119 1.00 0.00 H ATOM 743 HZ3 LYS A 52 -7.117 18.660 -42.179 1.00 0.00 H ATOM 744 H LYS A 52 -9.393 23.470 -37.250 1.00 0.00 H ATOM 745 N ILE A 53 -9.759 20.160 -34.886 1.00 26.90 N ATOM 746 CA ILE A 53 -8.945 19.673 -33.759 1.00 28.80 C ATOM 747 C ILE A 53 -9.023 18.148 -33.666 1.00 30.79 C ATOM 748 O ILE A 53 -10.121 17.569 -33.766 1.00 30.39 O ATOM 749 CB ILE A 53 -9.404 20.300 -32.403 1.00 28.68 C ATOM 750 CG1 ILE A 53 -8.553 19.791 -31.237 1.00 27.77 C ATOM 751 CG2 ILE A 53 -10.902 20.021 -32.167 1.00 26.14 C ATOM 752 CD1 ILE A 53 -8.554 20.744 -30.028 1.00 30.69 C ATOM 753 HA ILE A 53 -7.915 19.977 -33.946 1.00 0.00 H ATOM 754 HB ILE A 53 -9.260 21.379 -32.459 1.00 0.00 H ATOM 755 HG12 ILE A 53 -8.944 18.825 -30.918 1.00 0.00 H ATOM 756 HG13 ILE A 53 -7.526 19.670 -31.583 1.00 0.00 H ATOM 757 HD11 ILE A 53 -8.156 21.713 -30.330 1.00 0.00 H ATOM 758 HD12 ILE A 53 -9.574 20.866 -29.664 1.00 0.00 H ATOM 759 HD13 ILE A 53 -7.933 20.325 -29.236 1.00 0.00 H ATOM 760 HG21 ILE A 53 -11.484 20.459 -32.978 1.00 0.00 H ATOM 761 HG22 ILE A 53 -11.070 18.944 -32.138 1.00 0.00 H ATOM 762 HG23 ILE A 53 -11.208 20.464 -31.219 1.00 0.00 H ATOM 763 H ILE A 53 -10.619 19.635 -35.145 1.00 0.00 H ATOM 764 N SER A 54 -7.871 17.493 -33.482 1.00 31.62 N ATOM 765 CA SER A 54 -7.861 16.016 -33.371 1.00 34.75 C ATOM 766 C SER A 54 -8.487 15.516 -32.077 1.00 35.90 C ATOM 767 O SER A 54 -8.536 16.241 -31.080 1.00 36.28 O ATOM 768 CB SER A 54 -6.439 15.453 -33.466 1.00 36.05 C ATOM 769 OG SER A 54 -5.638 15.985 -32.410 1.00 36.82 O ATOM 770 HA SER A 54 -8.461 15.662 -34.210 1.00 0.00 H ATOM 771 HB2 SER A 54 -6.003 15.729 -34.426 1.00 0.00 H ATOM 772 HB3 SER A 54 -6.473 14.367 -33.383 1.00 0.00 H ATOM 773 HG SER A 54 -6.033 15.733 -31.538 1.00 0.00 H ATOM 774 H SER A 54 -6.979 18.023 -33.417 1.00 0.00 H ATOM 775 N GLY A 55 -8.920 14.256 -32.088 1.00 38.12 N ATOM 776 CA GLY A 55 -9.471 13.594 -30.898 1.00 40.66 C ATOM 777 C GLY A 55 -8.853 13.972 -29.560 1.00 42.12 C ATOM 778 O GLY A 55 -9.567 14.253 -28.597 1.00 42.62 O ATOM 779 HA3 GLY A 55 -9.345 12.519 -31.029 1.00 0.00 H ATOM 780 HA2 GLY A 55 -10.534 13.831 -30.850 1.00 0.00 H ATOM 781 H GLY A 55 -8.866 13.718 -32.977 1.00 0.00 H ATOM 782 N ASP A 56 -7.527 14.005 -29.511 1.00 42.82 N ATOM 783 CA ASP A 56 -6.801 14.186 -28.267 1.00 45.96 C ATOM 784 C ASP A 56 -6.449 15.643 -27.982 1.00 45.09 C ATOM 785 O ASP A 56 -5.764 15.941 -26.993 1.00 45.47 O ATOM 786 CB ASP A 56 -5.514 13.339 -28.300 1.00 49.50 C ATOM 787 CG ASP A 56 -4.701 13.552 -29.593 1.00 51.29 C ATOM 788 OD1 ASP A 56 -3.784 12.744 -29.876 1.00 54.59 O ATOM 789 OD2 ASP A 56 -4.999 14.515 -30.333 1.00 50.04 O ATOM 790 HA ASP A 56 -7.459 13.859 -27.462 1.00 0.00 H ATOM 791 HB2 ASP A 56 -4.893 13.613 -27.447 1.00 0.00 H ATOM 792 HB3 ASP A 56 -5.786 12.286 -28.227 1.00 0.00 H ATOM 793 H ASP A 56 -6.989 13.897 -30.395 1.00 0.00 H ATOM 794 N GLY A 57 -6.904 16.547 -28.857 1.00 42.87 N ATOM 795 CA GLY A 57 -6.615 17.971 -28.742 1.00 41.74 C ATOM 796 C GLY A 57 -5.214 18.407 -29.148 1.00 43.06 C ATOM 797 O GLY A 57 -4.853 19.569 -28.985 1.00 43.60 O ATOM 798 HA3 GLY A 57 -6.764 18.258 -27.701 1.00 0.00 H ATOM 799 HA2 GLY A 57 -7.326 18.507 -29.371 1.00 0.00 H ATOM 800 H GLY A 57 -7.488 16.220 -29.653 1.00 0.00 H ATOM 801 N ARG A 58 -4.419 17.483 -29.677 1.00 43.92 N ATOM 802 CA ARG A 58 -3.034 17.769 -30.048 1.00 44.54 C ATOM 803 C ARG A 58 -2.831 18.459 -31.424 1.00 42.14 C ATOM 804 O ARG A 58 -1.878 19.237 -31.608 1.00 41.84 O ATOM 805 CB ARG A 58 -2.236 16.476 -30.004 1.00 47.70 C ATOM 806 CG ARG A 58 -0.754 16.670 -29.886 1.00 53.57 C ATOM 807 CD ARG A 58 -0.053 15.378 -29.445 1.00 62.43 C ATOM 808 NE ARG A 58 -0.486 14.913 -28.119 1.00 67.41 N ATOM 809 CZ ARG A 58 0.081 13.903 -27.458 1.00 73.74 C ATOM 810 NH1 ARG A 58 1.113 13.247 -27.988 1.00 76.24 N ATOM 811 NH2 ARG A 58 -0.384 13.539 -26.264 1.00 76.64 N ATOM 812 HA ARG A 58 -2.681 18.497 -29.318 1.00 0.00 H ATOM 813 HB2 ARG A 58 -2.574 15.895 -29.146 1.00 0.00 H ATOM 814 HB3 ARG A 58 -2.436 15.920 -30.920 1.00 0.00 H ATOM 815 HG2 ARG A 58 -0.358 16.976 -30.854 1.00 0.00 H ATOM 816 HG3 ARG A 58 -0.556 17.450 -29.151 1.00 0.00 H ATOM 817 HD2 ARG A 58 1.022 15.558 -29.416 1.00 0.00 H ATOM 818 HD3 ARG A 58 -0.270 14.598 -30.175 1.00 0.00 H ATOM 819 HE ARG A 58 -1.285 15.403 -27.668 1.00 0.00 H ATOM 820 HH12 ARG A 58 1.551 12.460 -27.468 1.00 0.00 H ATOM 821 HH11 ARG A 58 1.480 13.522 -28.921 1.00 0.00 H ATOM 822 HH22 ARG A 58 0.060 12.751 -25.751 1.00 0.00 H ATOM 823 HH21 ARG A 58 -1.191 14.043 -25.845 1.00 0.00 H ATOM 824 H ARG A 58 -4.794 16.525 -29.832 1.00 0.00 H ATOM 825 N LEU A 59 -3.685 18.160 -32.397 1.00 38.68 N ATOM 826 CA LEU A 59 -3.506 18.758 -33.707 1.00 37.68 C ATOM 827 C LEU A 59 -4.617 19.756 -33.999 1.00 36.15 C ATOM 828 O LEU A 59 -5.805 19.444 -33.823 1.00 36.39 O ATOM 829 CB LEU A 59 -3.407 17.706 -34.814 1.00 37.90 C ATOM 830 CG LEU A 59 -2.313 16.615 -34.754 1.00 40.49 C ATOM 831 CD1 LEU A 59 -2.477 15.615 -35.910 1.00 40.71 C ATOM 832 CD2 LEU A 59 -0.884 17.208 -34.765 1.00 42.60 C ATOM 833 HA LEU A 59 -2.556 19.292 -33.692 1.00 0.00 H ATOM 834 HB2 LEU A 59 -4.366 17.188 -34.842 1.00 0.00 H ATOM 835 HB3 LEU A 59 -3.260 18.247 -35.749 1.00 0.00 H ATOM 836 HG LEU A 59 -2.443 16.094 -33.806 1.00 0.00 H ATOM 837 HD21 LEU A 59 -0.737 17.782 -35.680 1.00 0.00 H ATOM 838 HD22 LEU A 59 -0.756 17.860 -33.901 1.00 0.00 H ATOM 839 HD23 LEU A 59 -0.156 16.398 -34.721 1.00 0.00 H ATOM 840 HD11 LEU A 59 -3.455 15.138 -35.840 1.00 0.00 H ATOM 841 HD12 LEU A 59 -2.396 16.143 -36.860 1.00 0.00 H ATOM 842 HD13 LEU A 59 -1.696 14.857 -35.847 1.00 0.00 H ATOM 843 H LEU A 59 -4.473 17.505 -32.222 1.00 0.00 H ATOM 844 N THR A 60 -4.225 20.967 -34.411 1.00 34.34 N ATOM 845 CA THR A 60 -5.182 21.941 -34.888 1.00 32.41 C ATOM 846 C THR A 60 -4.769 22.477 -36.245 1.00 31.98 C ATOM 847 O THR A 60 -3.580 22.515 -36.584 1.00 33.56 O ATOM 848 CB THR A 60 -5.410 23.099 -33.884 1.00 32.88 C ATOM 849 OG1 THR A 60 -4.171 23.780 -33.662 1.00 33.30 O ATOM 850 CG2 THR A 60 -5.942 22.578 -32.545 1.00 32.19 C ATOM 851 HA THR A 60 -6.136 21.423 -34.988 1.00 0.00 H ATOM 852 HB THR A 60 -6.150 23.779 -34.307 1.00 0.00 H ATOM 853 HG1 THR A 60 -4.313 24.521 -33.021 1.00 0.00 H ATOM 854 HG23 THR A 60 -6.886 22.058 -32.708 1.00 0.00 H ATOM 855 HG21 THR A 60 -5.217 21.890 -32.111 1.00 0.00 H ATOM 856 HG22 THR A 60 -6.100 23.417 -31.867 1.00 0.00 H ATOM 857 H THR A 60 -3.215 21.212 -34.388 1.00 0.00 H ATOM 858 N THR A 61 -5.755 22.862 -37.033 1.00 29.85 N ATOM 859 CA THR A 61 -5.522 23.644 -38.224 1.00 31.74 C ATOM 860 C THR A 61 -6.677 24.612 -38.418 1.00 30.81 C ATOM 861 O THR A 61 -7.844 24.328 -38.063 1.00 29.73 O ATOM 862 CB THR A 61 -5.212 22.815 -39.561 1.00 34.07 C ATOM 863 OG1 THR A 61 -6.346 22.849 -40.428 1.00 35.41 O ATOM 864 CG2 THR A 61 -4.809 21.329 -39.313 1.00 29.71 C ATOM 865 HA THR A 61 -4.591 24.183 -38.049 1.00 0.00 H ATOM 866 HB THR A 61 -4.350 23.302 -40.017 1.00 0.00 H ATOM 867 HG1 THR A 61 -6.147 22.335 -41.250 1.00 0.00 H ATOM 868 HG23 THR A 61 -3.943 21.294 -38.652 1.00 0.00 H ATOM 869 HG21 THR A 61 -5.643 20.800 -38.851 1.00 0.00 H ATOM 870 HG22 THR A 61 -4.560 20.858 -40.264 1.00 0.00 H ATOM 871 H THR A 61 -6.730 22.594 -36.789 1.00 0.00 H ATOM 872 N TYR A 62 -6.323 25.768 -38.966 1.00 30.74 N ATOM 873 CA TYR A 62 -7.226 26.910 -39.093 1.00 31.32 C ATOM 874 C TYR A 62 -7.441 27.349 -40.539 1.00 31.19 C ATOM 875 O TYR A 62 -6.538 27.257 -41.360 1.00 33.13 O ATOM 876 CB TYR A 62 -6.627 28.062 -38.286 1.00 31.08 C ATOM 877 CG TYR A 62 -6.590 27.766 -36.795 1.00 32.66 C ATOM 878 CD1 TYR A 62 -7.731 27.960 -35.995 1.00 28.53 C ATOM 879 CD2 TYR A 62 -5.428 27.278 -36.190 1.00 30.26 C ATOM 880 CE1 TYR A 62 -7.702 27.687 -34.618 1.00 26.99 C ATOM 881 CE2 TYR A 62 -5.382 27.000 -34.813 1.00 28.36 C ATOM 882 CZ TYR A 62 -6.509 27.225 -34.038 1.00 31.90 C ATOM 883 OH TYR A 62 -6.436 26.995 -32.683 1.00 33.39 O ATOM 884 HA TYR A 62 -8.206 26.617 -38.718 1.00 0.00 H ATOM 885 HB3 TYR A 62 -7.229 28.956 -38.451 1.00 0.00 H ATOM 886 HB2 TYR A 62 -5.609 28.241 -38.633 1.00 0.00 H ATOM 887 HD2 TYR A 62 -4.540 27.110 -36.799 1.00 0.00 H ATOM 888 HE2 TYR A 62 -4.470 26.612 -34.360 1.00 0.00 H ATOM 889 HE1 TYR A 62 -8.593 27.832 -34.007 1.00 0.00 H ATOM 890 HD1 TYR A 62 -8.651 28.327 -36.451 1.00 0.00 H ATOM 891 HH TYR A 62 -7.311 27.198 -32.267 1.00 0.00 H ATOM 892 H TYR A 62 -5.351 25.866 -39.324 1.00 0.00 H ATOM 893 N GLY A 63 -8.633 27.846 -40.854 1.00 31.85 N ATOM 894 CA GLY A 63 -8.875 28.491 -42.163 1.00 32.23 C ATOM 895 C GLY A 63 -8.055 29.759 -42.224 1.00 34.53 C ATOM 896 O GLY A 63 -7.776 30.362 -41.175 1.00 33.32 O ATOM 897 HA3 GLY A 63 -9.933 28.730 -42.267 1.00 0.00 H ATOM 898 HA2 GLY A 63 -8.575 27.819 -42.967 1.00 0.00 H ATOM 899 H GLY A 63 -9.411 27.780 -40.167 1.00 0.00 H ATOM 900 N ASP A 64 -7.569 30.096 -43.421 1.00 35.78 N ATOM 901 CA ASP A 64 -6.563 31.148 -43.582 1.00 37.72 C ATOM 902 C ASP A 64 -7.087 32.518 -43.121 1.00 38.23 C ATOM 903 O ASP A 64 -6.311 33.338 -42.652 1.00 39.58 O ATOM 904 CB ASP A 64 -6.101 31.215 -45.051 1.00 40.30 C ATOM 905 CG ASP A 64 -4.688 30.610 -45.285 1.00 45.49 C ATOM 906 OD1 ASP A 64 -4.028 30.102 -44.335 1.00 46.52 O ATOM 907 OD2 ASP A 64 -4.241 30.656 -46.459 1.00 49.98 O ATOM 908 HA ASP A 64 -5.713 30.896 -42.948 1.00 0.00 H ATOM 909 HB2 ASP A 64 -6.817 30.667 -45.663 1.00 0.00 H ATOM 910 HB3 ASP A 64 -6.085 32.260 -45.361 1.00 0.00 H ATOM 911 H ASP A 64 -7.915 29.596 -44.265 1.00 0.00 H ATOM 912 N SER A 65 -8.406 32.746 -43.234 1.00 37.95 N ATOM 913 CA SER A 65 -9.024 34.035 -42.873 1.00 38.77 C ATOM 914 C SER A 65 -9.142 34.314 -41.360 1.00 38.36 C ATOM 915 O SER A 65 -9.287 35.468 -40.958 1.00 39.13 O ATOM 916 CB SER A 65 -10.418 34.184 -43.514 1.00 38.61 C ATOM 917 OG SER A 65 -11.245 33.034 -43.232 1.00 40.03 O ATOM 918 HA SER A 65 -8.328 34.774 -43.269 1.00 0.00 H ATOM 919 HB2 SER A 65 -10.305 34.286 -44.593 1.00 0.00 H ATOM 920 HB3 SER A 65 -10.900 35.076 -43.115 1.00 0.00 H ATOM 921 HG SER A 65 -12.132 33.155 -43.654 1.00 0.00 H ATOM 922 H SER A 65 -9.016 31.983 -43.590 1.00 0.00 H ATOM 923 N VAL A 66 -9.105 33.268 -40.533 1.00 36.59 N ATOM 924 CA VAL A 66 -9.199 33.419 -39.071 1.00 35.22 C ATOM 925 C VAL A 66 -7.835 33.142 -38.383 1.00 36.44 C ATOM 926 O VAL A 66 -7.657 33.321 -37.176 1.00 35.85 O ATOM 927 CB VAL A 66 -10.325 32.524 -38.485 1.00 34.38 C ATOM 928 CG1 VAL A 66 -11.615 32.642 -39.318 1.00 31.38 C ATOM 929 CG2 VAL A 66 -9.881 31.091 -38.414 1.00 34.26 C ATOM 930 HA VAL A 66 -9.462 34.456 -38.863 1.00 0.00 H ATOM 931 HB VAL A 66 -10.537 32.874 -37.475 1.00 0.00 H ATOM 932 HG11 VAL A 66 -11.954 33.678 -39.315 1.00 0.00 H ATOM 933 HG12 VAL A 66 -11.415 32.327 -40.342 1.00 0.00 H ATOM 934 HG13 VAL A 66 -12.386 32.005 -38.884 1.00 0.00 H ATOM 935 HG21 VAL A 66 -9.635 30.738 -39.416 1.00 0.00 H ATOM 936 HG22 VAL A 66 -9.001 31.016 -37.775 1.00 0.00 H ATOM 937 HG23 VAL A 66 -10.686 30.483 -38.001 1.00 0.00 H ATOM 938 H VAL A 66 -9.006 32.314 -40.934 1.00 0.00 H ATOM 939 N LYS A 67 -6.858 32.702 -39.156 1.00 37.63 N ATOM 940 CA LYS A 67 -5.636 32.208 -38.539 1.00 39.34 C ATOM 941 C LYS A 67 -4.983 33.308 -37.683 1.00 40.73 C ATOM 942 O LYS A 67 -4.879 34.466 -38.110 1.00 40.57 O ATOM 943 CB LYS A 67 -4.671 31.730 -39.615 1.00 40.88 C ATOM 944 CG LYS A 67 -3.848 30.547 -39.170 1.00 44.15 C ATOM 945 CD LYS A 67 -2.783 30.191 -40.207 1.00 48.86 C ATOM 946 CE LYS A 67 -2.788 28.673 -40.456 1.00 51.05 C ATOM 947 NZ LYS A 67 -2.486 27.867 -39.197 1.00 50.45 N ATOM 948 HA LYS A 67 -5.884 31.370 -37.888 1.00 0.00 H ATOM 949 HB2 LYS A 67 -5.244 31.445 -40.497 1.00 0.00 H ATOM 950 HB3 LYS A 67 -3.998 32.549 -39.869 1.00 0.00 H ATOM 951 HG2 LYS A 67 -3.359 30.789 -38.227 1.00 0.00 H ATOM 952 HG3 LYS A 67 -4.506 29.690 -39.027 1.00 0.00 H ATOM 953 HD2 LYS A 67 -2.997 30.712 -41.140 1.00 0.00 H ATOM 954 HD3 LYS A 67 -1.803 30.495 -39.839 1.00 0.00 H ATOM 955 HE2 LYS A 67 -2.034 28.441 -41.208 1.00 0.00 H ATOM 956 HE3 LYS A 67 -3.771 28.384 -40.828 1.00 0.00 H ATOM 957 HZ1 LYS A 67 -1.546 28.128 -38.837 1.00 0.00 H ATOM 958 HZ2 LYS A 67 -3.205 28.073 -38.474 1.00 0.00 H ATOM 959 HZ3 LYS A 67 -2.503 26.852 -39.424 1.00 0.00 H ATOM 960 H LYS A 67 -6.961 32.709 -40.191 1.00 0.00 H ATOM 961 N GLY A 68 -4.583 32.945 -36.461 1.00 41.18 N ATOM 962 CA GLY A 68 -3.939 33.889 -35.555 1.00 41.26 C ATOM 963 C GLY A 68 -4.979 34.640 -34.735 1.00 40.47 C ATOM 964 O GLY A 68 -4.623 35.398 -33.851 1.00 42.42 O ATOM 965 HA3 GLY A 68 -3.357 34.604 -36.137 1.00 0.00 H ATOM 966 HA2 GLY A 68 -3.277 33.345 -34.882 1.00 0.00 H ATOM 967 H GLY A 68 -4.735 31.965 -36.148 1.00 0.00 H ATOM 968 N ARG A 69 -6.264 34.453 -35.022 1.00 37.36 N ATOM 969 CA ARG A 69 -7.304 35.253 -34.327 1.00 36.70 C ATOM 970 C ARG A 69 -8.266 34.403 -33.501 1.00 35.42 C ATOM 971 O ARG A 69 -8.745 34.840 -32.455 1.00 35.44 O ATOM 972 CB ARG A 69 -8.108 36.130 -35.323 1.00 35.60 C ATOM 973 CG ARG A 69 -7.303 37.329 -35.895 1.00 39.34 C ATOM 974 CD ARG A 69 -8.262 38.297 -36.594 1.00 36.80 C ATOM 975 NE ARG A 69 -8.923 37.638 -37.720 1.00 38.43 N ATOM 976 CZ ARG A 69 -10.241 37.541 -37.884 1.00 36.60 C ATOM 977 NH1 ARG A 69 -11.086 38.100 -37.012 1.00 33.70 N ATOM 978 NH2 ARG A 69 -10.709 36.930 -38.961 1.00 35.18 N ATOM 979 HA ARG A 69 -6.760 35.897 -33.636 1.00 0.00 H ATOM 980 HB2 ARG A 69 -8.427 35.502 -36.155 1.00 0.00 H ATOM 981 HB3 ARG A 69 -8.985 36.520 -34.807 1.00 0.00 H ATOM 982 HG2 ARG A 69 -6.792 37.846 -35.082 1.00 0.00 H ATOM 983 HG3 ARG A 69 -6.567 36.965 -36.612 1.00 0.00 H ATOM 984 HD2 ARG A 69 -7.701 39.157 -36.960 1.00 0.00 H ATOM 985 HD3 ARG A 69 -9.016 38.633 -35.882 1.00 0.00 H ATOM 986 HE ARG A 69 -8.316 37.212 -38.449 1.00 0.00 H ATOM 987 HH12 ARG A 69 -12.113 38.015 -37.155 1.00 0.00 H ATOM 988 HH11 ARG A 69 -10.717 38.620 -36.191 1.00 0.00 H ATOM 989 HH22 ARG A 69 -11.735 36.845 -39.106 1.00 0.00 H ATOM 990 HH21 ARG A 69 -10.050 36.535 -39.662 1.00 0.00 H ATOM 991 H ARG A 69 -6.540 33.746 -35.733 1.00 0.00 H ATOM 992 N PHE A 70 -8.598 33.231 -34.045 1.00 34.71 N ATOM 993 CA PHE A 70 -9.435 32.220 -33.434 1.00 33.26 C ATOM 994 C PHE A 70 -8.558 31.108 -32.853 1.00 34.20 C ATOM 995 O PHE A 70 -7.506 30.810 -33.402 1.00 35.05 O ATOM 996 CB PHE A 70 -10.367 31.622 -34.487 1.00 33.12 C ATOM 997 CG PHE A 70 -11.414 32.587 -35.005 1.00 30.41 C ATOM 998 CD1 PHE A 70 -11.264 33.962 -34.839 1.00 34.20 C ATOM 999 CD2 PHE A 70 -12.514 32.125 -35.681 1.00 31.86 C ATOM 1000 CE1 PHE A 70 -12.181 34.845 -35.341 1.00 29.82 C ATOM 1001 CE2 PHE A 70 -13.495 32.996 -36.137 1.00 29.76 C ATOM 1002 CZ PHE A 70 -13.324 34.351 -35.995 1.00 33.68 C ATOM 1003 HA PHE A 70 -10.024 32.676 -32.638 1.00 0.00 H ATOM 1004 HB2 PHE A 70 -9.762 31.288 -35.330 1.00 0.00 H ATOM 1005 HB3 PHE A 70 -10.878 30.766 -34.046 1.00 0.00 H ATOM 1006 HD2 PHE A 70 -12.620 31.056 -35.864 1.00 0.00 H ATOM 1007 HE2 PHE A 70 -14.398 32.605 -36.606 1.00 0.00 H ATOM 1008 HZ PHE A 70 -14.071 35.041 -36.388 1.00 0.00 H ATOM 1009 HE1 PHE A 70 -12.027 35.919 -35.235 1.00 0.00 H ATOM 1010 HD1 PHE A 70 -10.398 34.343 -34.298 1.00 0.00 H ATOM 1011 H PHE A 70 -8.222 33.025 -34.993 1.00 0.00 H ATOM 1012 N THR A 71 -8.959 30.547 -31.710 1.00 32.75 N ATOM 1013 CA THR A 71 -8.294 29.365 -31.162 1.00 32.23 C ATOM 1014 C THR A 71 -9.351 28.275 -30.984 1.00 30.22 C ATOM 1015 O THR A 71 -10.444 28.517 -30.467 1.00 32.01 O ATOM 1016 CB THR A 71 -7.602 29.656 -29.813 1.00 32.44 C ATOM 1017 OG1 THR A 71 -6.676 30.730 -29.993 1.00 37.19 O ATOM 1018 CG2 THR A 71 -6.836 28.426 -29.323 1.00 33.49 C ATOM 1019 HA THR A 71 -7.512 29.047 -31.852 1.00 0.00 H ATOM 1020 HB THR A 71 -8.361 29.918 -29.076 1.00 0.00 H ATOM 1021 HG1 THR A 71 -6.227 30.924 -29.133 1.00 0.00 H ATOM 1022 HG23 THR A 71 -7.532 27.599 -29.182 1.00 0.00 H ATOM 1023 HG21 THR A 71 -6.085 28.149 -30.063 1.00 0.00 H ATOM 1024 HG22 THR A 71 -6.347 28.657 -28.377 1.00 0.00 H ATOM 1025 H THR A 71 -9.764 30.960 -31.197 1.00 0.00 H ATOM 1026 N ILE A 72 -9.074 27.092 -31.493 1.00 30.24 N ATOM 1027 CA ILE A 72 -9.992 25.965 -31.243 1.00 29.14 C ATOM 1028 C ILE A 72 -9.384 25.111 -30.122 1.00 29.75 C ATOM 1029 O ILE A 72 -8.189 24.985 -30.036 1.00 31.85 O ATOM 1030 CB ILE A 72 -10.252 25.138 -32.529 1.00 26.29 C ATOM 1031 CG1 ILE A 72 -11.359 24.122 -32.286 1.00 24.57 C ATOM 1032 CG2 ILE A 72 -9.026 24.380 -32.927 1.00 29.32 C ATOM 1033 CD1 ILE A 72 -11.811 23.466 -33.600 1.00 23.92 C ATOM 1034 HA ILE A 72 -10.969 26.339 -30.935 1.00 0.00 H ATOM 1035 HB ILE A 72 -10.535 25.837 -33.316 1.00 0.00 H ATOM 1036 HG12 ILE A 72 -10.991 23.349 -31.611 1.00 0.00 H ATOM 1037 HG13 ILE A 72 -12.210 24.626 -31.829 1.00 0.00 H ATOM 1038 HD11 ILE A 72 -12.186 24.233 -34.278 1.00 0.00 H ATOM 1039 HD12 ILE A 72 -10.965 22.955 -34.060 1.00 0.00 H ATOM 1040 HD13 ILE A 72 -12.602 22.746 -33.392 1.00 0.00 H ATOM 1041 HG21 ILE A 72 -8.213 25.081 -33.116 1.00 0.00 H ATOM 1042 HG22 ILE A 72 -8.743 23.701 -32.122 1.00 0.00 H ATOM 1043 HG23 ILE A 72 -9.232 23.807 -33.831 1.00 0.00 H ATOM 1044 H ILE A 72 -8.217 26.954 -32.065 1.00 0.00 H ATOM 1045 N SER A 73 -10.180 24.595 -29.210 1.00 30.76 N ATOM 1046 CA SER A 73 -9.609 23.681 -28.195 1.00 32.78 C ATOM 1047 C SER A 73 -10.746 22.837 -27.725 1.00 32.79 C ATOM 1048 O SER A 73 -11.891 23.147 -28.034 1.00 34.79 O ATOM 1049 CB SER A 73 -8.983 24.418 -27.010 1.00 33.76 C ATOM 1050 OG SER A 73 -9.932 25.266 -26.390 1.00 32.46 O ATOM 1051 HA SER A 73 -8.801 23.097 -28.637 1.00 0.00 H ATOM 1052 HB2 SER A 73 -8.144 25.018 -27.364 1.00 0.00 H ATOM 1053 HB3 SER A 73 -8.626 23.689 -26.283 1.00 0.00 H ATOM 1054 HG SER A 73 -10.256 25.932 -27.047 1.00 0.00 H ATOM 1055 H SER A 73 -11.194 24.826 -29.202 1.00 0.00 H ATOM 1056 N ARG A 74 -10.458 21.797 -26.955 1.00 34.66 N ATOM 1057 CA ARG A 74 -11.526 20.934 -26.462 1.00 34.27 C ATOM 1058 C ARG A 74 -11.356 20.474 -25.004 1.00 36.80 C ATOM 1059 O ARG A 74 -10.245 20.331 -24.493 1.00 37.40 O ATOM 1060 CB ARG A 74 -11.703 19.736 -27.392 1.00 33.61 C ATOM 1061 CG ARG A 74 -10.464 18.811 -27.475 1.00 34.81 C ATOM 1062 CD ARG A 74 -10.542 17.824 -28.631 1.00 34.00 C ATOM 1063 NE ARG A 74 -11.676 16.898 -28.529 1.00 36.75 N ATOM 1064 CZ ARG A 74 -12.115 16.144 -29.524 1.00 35.06 C ATOM 1065 NH1 ARG A 74 -11.508 16.191 -30.704 1.00 36.47 N ATOM 1066 NH2 ARG A 74 -13.114 15.288 -29.334 1.00 35.66 N ATOM 1067 HA ARG A 74 -12.429 21.545 -26.463 1.00 0.00 H ATOM 1068 HB2 ARG A 74 -12.547 19.147 -27.034 1.00 0.00 H ATOM 1069 HB3 ARG A 74 -11.920 20.109 -28.393 1.00 0.00 H ATOM 1070 HG2 ARG A 74 -9.575 19.429 -27.604 1.00 0.00 H ATOM 1071 HG3 ARG A 74 -10.384 18.251 -26.543 1.00 0.00 H ATOM 1072 HD2 ARG A 74 -9.621 17.242 -28.652 1.00 0.00 H ATOM 1073 HD3 ARG A 74 -10.636 18.386 -29.560 1.00 0.00 H ATOM 1074 HE ARG A 74 -12.167 16.830 -27.615 1.00 0.00 H ATOM 1075 HH12 ARG A 74 -11.850 15.600 -31.489 1.00 0.00 H ATOM 1076 HH11 ARG A 74 -10.691 16.819 -30.844 1.00 0.00 H ATOM 1077 HH22 ARG A 74 -13.452 14.700 -30.122 1.00 0.00 H ATOM 1078 HH21 ARG A 74 -13.558 15.206 -28.397 1.00 0.00 H ATOM 1079 H ARG A 74 -9.469 21.596 -26.702 1.00 0.00 H ATOM 1080 N ASP A 75 -12.485 20.163 -24.367 1.00 38.51 N ATOM 1081 CA ASP A 75 -12.495 19.606 -23.017 1.00 39.38 C ATOM 1082 C ASP A 75 -13.206 18.281 -23.062 1.00 40.40 C ATOM 1083 O ASP A 75 -14.446 18.217 -23.048 1.00 39.65 O ATOM 1084 CB ASP A 75 -13.210 20.550 -22.054 1.00 39.81 C ATOM 1085 CG ASP A 75 -13.048 20.135 -20.598 1.00 42.80 C ATOM 1086 OD1 ASP A 75 -12.602 18.989 -20.325 1.00 42.40 O ATOM 1087 OD2 ASP A 75 -13.362 20.974 -19.725 1.00 43.31 O ATOM 1088 HA ASP A 75 -11.472 19.476 -22.663 1.00 0.00 H ATOM 1089 HB2 ASP A 75 -12.801 21.552 -22.179 1.00 0.00 H ATOM 1090 HB3 ASP A 75 -14.272 20.560 -22.298 1.00 0.00 H ATOM 1091 H ASP A 75 -13.392 20.323 -24.849 1.00 0.00 H ATOM 1092 N ASN A 76 -12.413 17.218 -23.092 1.00 40.98 N ATOM 1093 CA ASN A 76 -12.962 15.898 -23.261 1.00 43.62 C ATOM 1094 C ASN A 76 -13.681 15.363 -22.008 1.00 46.68 C ATOM 1095 O ASN A 76 -14.461 14.410 -22.107 1.00 47.79 O ATOM 1096 CB ASN A 76 -11.886 14.944 -23.773 1.00 43.74 C ATOM 1097 CG ASN A 76 -11.460 15.274 -25.203 1.00 42.08 C ATOM 1098 OD1 ASN A 76 -12.121 16.046 -25.896 1.00 38.60 O ATOM 1099 ND2 ASN A 76 -10.384 14.636 -25.667 1.00 43.71 N ATOM 1100 HA ASN A 76 -13.746 15.968 -24.015 1.00 0.00 H ATOM 1101 HB2 ASN A 76 -11.015 15.013 -23.121 1.00 0.00 H ATOM 1102 HB3 ASN A 76 -12.277 13.927 -23.748 1.00 0.00 H ATOM 1103 HD22 ASN A 76 -9.854 13.992 -25.046 1.00 0.00 H ATOM 1104 HD21 ASN A 76 -10.076 14.783 -26.649 1.00 0.00 H ATOM 1105 H ASN A 76 -11.385 17.339 -22.992 1.00 0.00 H ATOM 1106 N ALA A 77 -13.456 16.011 -20.863 1.00 46.64 N ATOM 1107 CA ALA A 77 -14.109 15.626 -19.595 1.00 49.86 C ATOM 1108 C ALA A 77 -15.571 16.068 -19.518 1.00 49.56 C ATOM 1109 O ALA A 77 -16.455 15.299 -19.119 1.00 51.35 O ATOM 1110 CB ALA A 77 -13.326 16.178 -18.397 1.00 50.46 C ATOM 1111 HA ALA A 77 -14.105 14.536 -19.563 1.00 0.00 H ATOM 1112 HB1 ALA A 77 -12.313 15.776 -18.410 1.00 0.00 H ATOM 1113 HB2 ALA A 77 -13.287 17.266 -18.460 1.00 0.00 H ATOM 1114 HB3 ALA A 77 -13.823 15.884 -17.473 1.00 0.00 H ATOM 1115 H ALA A 77 -12.797 16.816 -20.864 1.00 0.00 H ATOM 1116 N GLU A 78 -15.802 17.320 -19.878 1.00 47.45 N ATOM 1117 CA GLU A 78 -17.133 17.890 -19.976 1.00 48.35 C ATOM 1118 C GLU A 78 -17.757 17.638 -21.348 1.00 47.34 C ATOM 1119 O GLU A 78 -18.900 18.038 -21.582 1.00 48.07 O ATOM 1120 CB GLU A 78 -17.060 19.414 -19.746 1.00 46.72 C ATOM 1121 CG GLU A 78 -16.736 19.848 -18.319 1.00 50.92 C ATOM 1122 CD GLU A 78 -17.799 19.432 -17.302 1.00 55.70 C ATOM 1123 OE1 GLU A 78 -17.506 19.429 -16.084 1.00 59.42 O ATOM 1124 OE2 GLU A 78 -18.935 19.117 -17.710 1.00 57.44 O ATOM 1125 HA GLU A 78 -17.752 17.411 -19.217 1.00 0.00 H ATOM 1126 HB2 GLU A 78 -16.289 19.817 -20.403 1.00 0.00 H ATOM 1127 HB3 GLU A 78 -18.026 19.841 -20.016 1.00 0.00 H ATOM 1128 HG2 GLU A 78 -15.786 19.400 -18.029 1.00 0.00 H ATOM 1129 HG3 GLU A 78 -16.645 20.934 -18.300 1.00 0.00 H ATOM 1130 H GLU A 78 -14.988 17.927 -20.102 1.00 0.00 H ATOM 1131 N TYR A 79 -16.988 17.055 -22.271 1.00 46.81 N ATOM 1132 CA TYR A 79 -17.428 16.864 -23.657 1.00 46.39 C ATOM 1133 C TYR A 79 -17.757 18.206 -24.373 1.00 44.25 C ATOM 1134 O TYR A 79 -18.817 18.370 -24.976 1.00 44.58 O ATOM 1135 CB TYR A 79 -18.627 15.881 -23.694 1.00 49.13 C ATOM 1136 CG TYR A 79 -18.498 14.714 -24.669 1.00 50.50 C ATOM 1137 CD1 TYR A 79 -19.497 14.452 -25.611 1.00 51.55 C ATOM 1138 CD2 TYR A 79 -17.380 13.866 -24.647 1.00 52.87 C ATOM 1139 CE1 TYR A 79 -19.385 13.388 -26.506 1.00 52.03 C ATOM 1140 CE2 TYR A 79 -17.251 12.800 -25.550 1.00 51.81 C ATOM 1141 CZ TYR A 79 -18.268 12.555 -26.458 1.00 53.56 C ATOM 1142 OH TYR A 79 -18.158 11.500 -27.347 1.00 52.73 O ATOM 1143 HA TYR A 79 -16.599 16.429 -24.215 1.00 0.00 H ATOM 1144 HB3 TYR A 79 -19.517 16.448 -23.967 1.00 0.00 H ATOM 1145 HB2 TYR A 79 -18.753 15.469 -22.693 1.00 0.00 H ATOM 1146 HD2 TYR A 79 -16.594 14.039 -23.912 1.00 0.00 H ATOM 1147 HE2 TYR A 79 -16.360 12.172 -25.537 1.00 0.00 H ATOM 1148 HE1 TYR A 79 -20.169 13.208 -27.241 1.00 0.00 H ATOM 1149 HD1 TYR A 79 -20.380 15.091 -25.647 1.00 0.00 H ATOM 1150 HH TYR A 79 -18.965 11.467 -27.920 1.00 0.00 H ATOM 1151 H TYR A 79 -16.041 16.724 -21.997 1.00 0.00 H ATOM 1152 N LEU A 80 -16.869 19.190 -24.282 1.00 42.72 N ATOM 1153 CA LEU A 80 -17.126 20.435 -24.990 1.00 39.47 C ATOM 1154 C LEU A 80 -16.020 20.778 -25.971 1.00 37.55 C ATOM 1155 O LEU A 80 -14.862 20.377 -25.802 1.00 36.57 O ATOM 1156 CB LEU A 80 -17.371 21.599 -24.024 1.00 39.58 C ATOM 1157 CG LEU A 80 -18.509 21.531 -23.008 1.00 41.67 C ATOM 1158 CD1 LEU A 80 -18.370 22.650 -21.951 1.00 39.29 C ATOM 1159 CD2 LEU A 80 -19.886 21.577 -23.666 1.00 43.01 C ATOM 1160 HA LEU A 80 -18.038 20.276 -25.566 1.00 0.00 H ATOM 1161 HB2 LEU A 80 -16.451 21.733 -23.455 1.00 0.00 H ATOM 1162 HB3 LEU A 80 -17.550 22.482 -24.637 1.00 0.00 H ATOM 1163 HG LEU A 80 -18.428 20.565 -22.509 1.00 0.00 H ATOM 1164 HD21 LEU A 80 -19.990 22.507 -24.224 1.00 0.00 H ATOM 1165 HD22 LEU A 80 -19.991 20.731 -24.345 1.00 0.00 H ATOM 1166 HD23 LEU A 80 -20.657 21.525 -22.897 1.00 0.00 H ATOM 1167 HD11 LEU A 80 -17.422 22.536 -21.425 1.00 0.00 H ATOM 1168 HD12 LEU A 80 -18.398 23.621 -22.446 1.00 0.00 H ATOM 1169 HD13 LEU A 80 -19.192 22.580 -21.239 1.00 0.00 H ATOM 1170 H LEU A 80 -16.005 19.073 -23.715 1.00 0.00 H ATOM 1171 N VAL A 81 -16.416 21.477 -27.030 1.00 35.46 N ATOM 1172 CA VAL A 81 -15.485 22.022 -27.979 1.00 33.57 C ATOM 1173 C VAL A 81 -15.646 23.531 -27.915 1.00 33.28 C ATOM 1174 O VAL A 81 -16.777 24.051 -27.847 1.00 34.20 O ATOM 1175 CB VAL A 81 -15.728 21.521 -29.434 1.00 32.51 C ATOM 1176 CG1 VAL A 81 -14.549 21.966 -30.332 1.00 31.64 C ATOM 1177 CG2 VAL A 81 -15.860 20.007 -29.474 1.00 33.99 C ATOM 1178 HA VAL A 81 -14.476 21.698 -27.723 1.00 0.00 H ATOM 1179 HB VAL A 81 -16.659 21.954 -29.801 1.00 0.00 H ATOM 1180 HG11 VAL A 81 -14.480 23.054 -30.327 1.00 0.00 H ATOM 1181 HG12 VAL A 81 -13.621 21.540 -29.949 1.00 0.00 H ATOM 1182 HG13 VAL A 81 -14.718 21.616 -31.350 1.00 0.00 H ATOM 1183 HG21 VAL A 81 -14.944 19.554 -29.096 1.00 0.00 H ATOM 1184 HG22 VAL A 81 -16.702 19.700 -28.853 1.00 0.00 H ATOM 1185 HG23 VAL A 81 -16.029 19.685 -30.502 1.00 0.00 H ATOM 1186 H VAL A 81 -17.433 21.635 -27.177 1.00 0.00 H ATOM 1187 N TYR A 82 -14.520 24.228 -27.887 1.00 31.02 N ATOM 1188 CA TYR A 82 -14.578 25.675 -27.797 1.00 31.95 C ATOM 1189 C TYR A 82 -13.941 26.364 -28.997 1.00 30.29 C ATOM 1190 O TYR A 82 -13.011 25.833 -29.606 1.00 29.80 O ATOM 1191 CB TYR A 82 -13.876 26.161 -26.531 1.00 32.15 C ATOM 1192 CG TYR A 82 -14.563 25.812 -25.238 1.00 32.16 C ATOM 1193 CD1 TYR A 82 -15.594 26.600 -24.752 1.00 34.18 C ATOM 1194 CD2 TYR A 82 -14.116 24.740 -24.448 1.00 33.52 C ATOM 1195 CE1 TYR A 82 -16.208 26.320 -23.504 1.00 38.67 C ATOM 1196 CE2 TYR A 82 -14.713 24.449 -23.210 1.00 37.10 C ATOM 1197 CZ TYR A 82 -15.755 25.243 -22.752 1.00 37.27 C ATOM 1198 OH TYR A 82 -16.360 24.960 -21.562 1.00 41.63 O ATOM 1199 HA TYR A 82 -15.636 25.936 -27.773 1.00 0.00 H ATOM 1200 HB3 TYR A 82 -13.795 27.247 -26.587 1.00 0.00 H ATOM 1201 HB2 TYR A 82 -12.878 25.724 -26.511 1.00 0.00 H ATOM 1202 HD2 TYR A 82 -13.291 24.122 -24.802 1.00 0.00 H ATOM 1203 HE2 TYR A 82 -14.361 23.607 -22.614 1.00 0.00 H ATOM 1204 HE1 TYR A 82 -17.025 26.942 -23.139 1.00 0.00 H ATOM 1205 HD1 TYR A 82 -15.940 27.451 -25.339 1.00 0.00 H ATOM 1206 HH TYR A 82 -17.076 25.622 -21.392 1.00 0.00 H ATOM 1207 H TYR A 82 -13.602 23.742 -27.929 1.00 0.00 H ATOM 1208 N LEU A 83 -14.458 27.550 -29.311 1.00 29.43 N ATOM 1209 CA LEU A 83 -13.897 28.407 -30.325 1.00 28.62 C ATOM 1210 C LEU A 83 -13.719 29.795 -29.720 1.00 29.88 C ATOM 1211 O LEU A 83 -14.693 30.514 -29.511 1.00 30.74 O ATOM 1212 CB LEU A 83 -14.791 28.483 -31.564 1.00 28.19 C ATOM 1213 CG LEU A 83 -14.140 29.227 -32.740 1.00 27.91 C ATOM 1214 CD1 LEU A 83 -12.865 28.524 -33.270 1.00 23.50 C ATOM 1215 CD2 LEU A 83 -15.165 29.427 -33.870 1.00 24.00 C ATOM 1216 HA LEU A 83 -12.940 27.999 -30.649 1.00 0.00 H ATOM 1217 HB2 LEU A 83 -15.026 27.468 -31.884 1.00 0.00 H ATOM 1218 HB3 LEU A 83 -15.712 29.000 -31.295 1.00 0.00 H ATOM 1219 HG LEU A 83 -13.819 30.199 -32.366 1.00 0.00 H ATOM 1220 HD21 LEU A 83 -15.520 28.455 -34.213 1.00 0.00 H ATOM 1221 HD22 LEU A 83 -16.006 30.012 -33.497 1.00 0.00 H ATOM 1222 HD23 LEU A 83 -14.692 29.955 -34.698 1.00 0.00 H ATOM 1223 HD11 LEU A 83 -12.128 28.459 -32.470 1.00 0.00 H ATOM 1224 HD12 LEU A 83 -13.120 27.521 -33.612 1.00 0.00 H ATOM 1225 HD13 LEU A 83 -12.453 29.099 -34.100 1.00 0.00 H ATOM 1226 H LEU A 83 -15.305 27.873 -28.801 1.00 0.00 H ATOM 1227 N GLN A 84 -12.484 30.143 -29.376 1.00 29.84 N ATOM 1228 CA GLN A 84 -12.204 31.516 -28.896 1.00 32.24 C ATOM 1229 C GLN A 84 -12.018 32.398 -30.136 1.00 31.32 C ATOM 1230 O GLN A 84 -11.180 32.099 -31.010 1.00 32.57 O ATOM 1231 CB GLN A 84 -10.944 31.518 -28.013 1.00 33.35 C ATOM 1232 CG GLN A 84 -10.489 32.907 -27.447 1.00 38.93 C ATOM 1233 CD GLN A 84 -11.398 33.458 -26.349 1.00 45.51 C ATOM 1234 OE1 GLN A 84 -11.522 32.862 -25.272 1.00 50.72 O ATOM 1235 NE2 GLN A 84 -12.037 34.607 -26.617 1.00 47.23 N ATOM 1236 HA GLN A 84 -13.023 31.898 -28.287 1.00 0.00 H ATOM 1237 HB2 GLN A 84 -11.133 30.860 -27.165 1.00 0.00 H ATOM 1238 HB3 GLN A 84 -10.123 31.117 -28.607 1.00 0.00 H ATOM 1239 HG2 GLN A 84 -9.484 32.799 -27.038 1.00 0.00 H ATOM 1240 HG3 GLN A 84 -10.471 33.623 -28.269 1.00 0.00 H ATOM 1241 HE22 GLN A 84 -11.903 35.074 -27.536 1.00 0.00 H ATOM 1242 HE21 GLN A 84 -12.666 35.030 -25.905 1.00 0.00 H ATOM 1243 H GLN A 84 -11.712 29.450 -29.444 1.00 0.00 H ATOM 1244 N MET A 85 -12.793 33.465 -30.221 1.00 30.31 N ATOM 1245 CA MET A 85 -12.753 34.370 -31.365 1.00 30.99 C ATOM 1246 C MET A 85 -12.285 35.761 -30.918 1.00 33.13 C ATOM 1247 O MET A 85 -13.047 36.500 -30.325 1.00 35.07 O ATOM 1248 CB MET A 85 -14.147 34.478 -32.005 1.00 30.57 C ATOM 1249 CG MET A 85 -14.662 33.155 -32.565 1.00 31.76 C ATOM 1250 SD MET A 85 -16.464 33.229 -32.838 1.00 38.87 S ATOM 1251 CE MET A 85 -16.476 33.918 -34.438 1.00 30.90 C ATOM 1252 HA MET A 85 -12.052 33.973 -32.099 1.00 0.00 H ATOM 1253 HB2 MET A 85 -14.848 34.829 -31.248 1.00 0.00 H ATOM 1254 HB3 MET A 85 -14.099 35.202 -32.818 1.00 0.00 H ATOM 1255 HG2 MET A 85 -14.439 32.356 -31.858 1.00 0.00 H ATOM 1256 HG3 MET A 85 -14.164 32.949 -33.513 1.00 0.00 H ATOM 1257 HE1 MET A 85 -15.984 34.891 -34.417 1.00 0.00 H ATOM 1258 HE2 MET A 85 -15.945 33.256 -35.121 1.00 0.00 H ATOM 1259 HE3 MET A 85 -17.506 34.037 -34.773 1.00 0.00 H ATOM 1260 H MET A 85 -13.455 33.667 -29.445 1.00 0.00 H ATOM 1261 N ASP A 86 -11.027 36.088 -31.182 1.00 33.91 N ATOM 1262 CA ASP A 86 -10.451 37.380 -30.834 1.00 35.90 C ATOM 1263 C ASP A 86 -10.456 38.329 -32.042 1.00 36.21 C ATOM 1264 O ASP A 86 -10.766 37.928 -33.168 1.00 35.54 O ATOM 1265 CB ASP A 86 -9.005 37.182 -30.350 1.00 38.15 C ATOM 1266 CG ASP A 86 -8.932 36.484 -28.993 1.00 41.12 C ATOM 1267 OD1 ASP A 86 -9.944 36.521 -28.260 1.00 47.70 O ATOM 1268 OD2 ASP A 86 -7.861 35.926 -28.649 1.00 45.93 O ATOM 1269 HA ASP A 86 -11.055 37.823 -30.042 1.00 0.00 H ATOM 1270 HB2 ASP A 86 -8.470 36.578 -31.083 1.00 0.00 H ATOM 1271 HB3 ASP A 86 -8.527 38.158 -30.267 1.00 0.00 H ATOM 1272 H ASP A 86 -10.423 35.389 -31.660 1.00 0.00 H ATOM 1273 N SER A 87 -10.145 39.593 -31.802 1.00 38.23 N ATOM 1274 CA SER A 87 -10.021 40.590 -32.869 1.00 39.36 C ATOM 1275 C SER A 87 -11.028 40.425 -33.998 1.00 38.96 C ATOM 1276 O SER A 87 -10.644 40.254 -35.163 1.00 38.35 O ATOM 1277 CB SER A 87 -8.614 40.543 -33.423 1.00 40.86 C ATOM 1278 OG SER A 87 -7.739 40.971 -32.408 1.00 44.68 O ATOM 1279 HA SER A 87 -10.238 41.559 -32.420 1.00 0.00 H ATOM 1280 HB2 SER A 87 -8.533 41.203 -34.286 1.00 0.00 H ATOM 1281 HB3 SER A 87 -8.366 39.524 -33.722 1.00 0.00 H ATOM 1282 HG SER A 87 -6.809 40.950 -32.745 1.00 0.00 H ATOM 1283 H SER A 87 -9.982 39.890 -30.819 1.00 0.00 H ATOM 1284 N LEU A 88 -12.318 40.472 -33.649 1.00 37.35 N ATOM 1285 CA LEU A 88 -13.372 40.192 -34.621 1.00 37.00 C ATOM 1286 C LEU A 88 -13.487 41.324 -35.615 1.00 38.26 C ATOM 1287 O LEU A 88 -13.186 42.456 -35.281 1.00 40.15 O ATOM 1288 CB LEU A 88 -14.717 39.996 -33.934 1.00 35.56 C ATOM 1289 CG LEU A 88 -14.733 38.768 -33.036 1.00 36.04 C ATOM 1290 CD1 LEU A 88 -15.412 39.104 -31.722 1.00 37.29 C ATOM 1291 CD2 LEU A 88 -15.388 37.615 -33.709 1.00 32.67 C ATOM 1292 HA LEU A 88 -13.103 39.272 -35.140 1.00 0.00 H ATOM 1293 HB2 LEU A 88 -14.933 40.876 -33.329 1.00 0.00 H ATOM 1294 HB3 LEU A 88 -15.487 39.883 -34.697 1.00 0.00 H ATOM 1295 HG LEU A 88 -13.705 38.471 -32.829 1.00 0.00 H ATOM 1296 HD21 LEU A 88 -16.416 37.877 -33.957 1.00 0.00 H ATOM 1297 HD22 LEU A 88 -14.844 37.371 -34.621 1.00 0.00 H ATOM 1298 HD23 LEU A 88 -15.382 36.754 -33.040 1.00 0.00 H ATOM 1299 HD11 LEU A 88 -14.866 39.907 -31.227 1.00 0.00 H ATOM 1300 HD12 LEU A 88 -16.436 39.424 -31.915 1.00 0.00 H ATOM 1301 HD13 LEU A 88 -15.421 38.221 -31.083 1.00 0.00 H ATOM 1302 H LEU A 88 -12.575 40.712 -32.670 1.00 0.00 H ATOM 1303 N LYS A 89 -13.929 40.988 -36.828 1.00 37.58 N ATOM 1304 CA LYS A 89 -14.152 41.937 -37.901 1.00 38.50 C ATOM 1305 C LYS A 89 -15.594 41.741 -38.327 1.00 38.07 C ATOM 1306 O LYS A 89 -16.134 40.675 -38.105 1.00 34.49 O ATOM 1307 CB LYS A 89 -13.278 41.590 -39.097 1.00 39.35 C ATOM 1308 CG LYS A 89 -11.787 41.448 -38.874 1.00 40.65 C ATOM 1309 CD LYS A 89 -11.155 41.097 -40.248 1.00 45.92 C ATOM 1310 CE LYS A 89 -9.820 40.395 -40.113 1.00 46.47 C ATOM 1311 NZ LYS A 89 -8.844 41.280 -39.412 1.00 50.17 N ATOM 1312 HA LYS A 89 -13.929 42.952 -37.573 1.00 0.00 H ATOM 1313 HB2 LYS A 89 -13.637 40.642 -39.497 1.00 0.00 H ATOM 1314 HB3 LYS A 89 -13.421 42.374 -39.841 1.00 0.00 H ATOM 1315 HG2 LYS A 89 -11.373 42.384 -38.499 1.00 0.00 H ATOM 1316 HG3 LYS A 89 -11.589 40.652 -38.156 1.00 0.00 H ATOM 1317 HD2 LYS A 89 -11.839 40.445 -40.791 1.00 0.00 H ATOM 1318 HD3 LYS A 89 -11.010 42.019 -40.811 1.00 0.00 H ATOM 1319 HE2 LYS A 89 -9.439 40.151 -41.105 1.00 0.00 H ATOM 1320 HE3 LYS A 89 -9.951 39.477 -39.540 1.00 0.00 H ATOM 1321 HZ1 LYS A 89 -8.716 42.155 -39.959 1.00 0.00 H ATOM 1322 HZ2 LYS A 89 -9.206 41.512 -38.465 1.00 0.00 H ATOM 1323 HZ3 LYS A 89 -7.932 40.788 -39.325 1.00 0.00 H ATOM 1324 H LYS A 89 -14.126 39.984 -37.015 1.00 0.00 H ATOM 1325 N PRO A 90 -16.203 42.757 -38.984 1.00 40.77 N ATOM 1326 CA PRO A 90 -17.551 42.656 -39.588 1.00 41.46 C ATOM 1327 C PRO A 90 -17.712 41.423 -40.449 1.00 40.38 C ATOM 1328 O PRO A 90 -18.744 40.771 -40.396 1.00 40.63 O ATOM 1329 CB PRO A 90 -17.639 43.897 -40.468 1.00 43.51 C ATOM 1330 CG PRO A 90 -16.774 44.893 -39.741 1.00 45.11 C ATOM 1331 CD PRO A 90 -15.611 44.092 -39.201 1.00 42.31 C ATOM 1332 HA PRO A 90 -18.324 42.586 -38.823 1.00 0.00 H ATOM 1333 HD3 PRO A 90 -14.796 44.047 -39.923 1.00 0.00 H ATOM 1334 HD2 PRO A 90 -15.243 44.515 -38.266 1.00 0.00 H ATOM 1335 HG3 PRO A 90 -17.329 45.358 -38.926 1.00 0.00 H ATOM 1336 HG2 PRO A 90 -16.422 45.665 -40.426 1.00 0.00 H ATOM 1337 HB2 PRO A 90 -17.251 43.697 -41.467 1.00 0.00 H ATOM 1338 HB3 PRO A 90 -18.667 44.252 -40.543 1.00 0.00 H ATOM 1339 N GLU A 91 -16.720 41.124 -41.270 1.00 40.87 N ATOM 1340 CA GLU A 91 -16.656 39.824 -41.902 1.00 42.45 C ATOM 1341 C GLU A 91 -16.453 38.926 -40.698 1.00 39.87 C ATOM 1342 O GLU A 91 -16.227 39.414 -39.600 1.00 42.23 O ATOM 1343 CB GLU A 91 -15.482 39.781 -42.885 1.00 42.70 C ATOM 1344 CG GLU A 91 -14.255 40.575 -42.417 1.00 47.92 C ATOM 1345 CD GLU A 91 -14.358 42.092 -42.651 1.00 51.38 C ATOM 1346 OE1 GLU A 91 -14.278 42.872 -41.675 1.00 51.40 O ATOM 1347 OE2 GLU A 91 -14.511 42.511 -43.820 1.00 56.29 O ATOM 1348 HA GLU A 91 -17.523 39.542 -42.499 1.00 0.00 H ATOM 1349 HB2 GLU A 91 -15.187 38.741 -43.023 1.00 0.00 H ATOM 1350 HB3 GLU A 91 -15.815 40.192 -43.838 1.00 0.00 H ATOM 1351 HG2 GLU A 91 -14.123 40.402 -41.349 1.00 0.00 H ATOM 1352 HG3 GLU A 91 -13.382 40.204 -42.955 1.00 0.00 H ATOM 1353 H GLU A 91 -15.980 41.829 -41.463 1.00 0.00 H ATOM 1354 N ASP A 92 -16.619 37.636 -40.792 1.00 37.83 N ATOM 1355 CA ASP A 92 -16.786 36.930 -39.489 1.00 34.34 C ATOM 1356 C ASP A 92 -18.258 36.857 -39.115 1.00 34.16 C ATOM 1357 O ASP A 92 -18.648 35.940 -38.406 1.00 34.40 O ATOM 1358 CB ASP A 92 -16.080 37.641 -38.333 1.00 34.56 C ATOM 1359 CG ASP A 92 -14.558 37.443 -38.336 1.00 36.23 C ATOM 1360 OD1 ASP A 92 -14.061 36.633 -39.157 1.00 36.74 O ATOM 1361 OD2 ASP A 92 -13.869 38.099 -37.504 1.00 35.49 O ATOM 1362 HA ASP A 92 -16.348 35.942 -39.631 1.00 0.00 H ATOM 1363 HB2 ASP A 92 -16.290 38.708 -38.403 1.00 0.00 H ATOM 1364 HB3 ASP A 92 -16.477 37.254 -37.395 1.00 0.00 H ATOM 1365 H ASP A 92 -16.634 37.138 -41.705 1.00 0.00 H ATOM 1366 N THR A 93 -19.076 37.809 -39.561 1.00 33.40 N ATOM 1367 CA THR A 93 -20.530 37.687 -39.316 1.00 34.86 C ATOM 1368 C THR A 93 -21.030 36.499 -40.075 1.00 34.22 C ATOM 1369 O THR A 93 -20.790 36.419 -41.274 1.00 35.50 O ATOM 1370 CB THR A 93 -21.290 38.927 -39.750 1.00 35.57 C ATOM 1371 OG1 THR A 93 -20.918 39.981 -38.859 1.00 37.40 O ATOM 1372 CG2 THR A 93 -22.840 38.715 -39.694 1.00 36.61 C ATOM 1373 HA THR A 93 -20.695 37.569 -38.245 1.00 0.00 H ATOM 1374 HB THR A 93 -21.039 39.162 -40.784 1.00 0.00 H ATOM 1375 HG1 THR A 93 -19.941 40.131 -38.917 1.00 0.00 H ATOM 1376 HG23 THR A 93 -23.120 37.911 -40.374 1.00 0.00 H ATOM 1377 HG21 THR A 93 -23.133 38.451 -38.678 1.00 0.00 H ATOM 1378 HG22 THR A 93 -23.342 39.636 -39.991 1.00 0.00 H ATOM 1379 H THR A 93 -18.697 38.629 -40.076 1.00 0.00 H ATOM 1380 N ALA A 94 -21.682 35.564 -39.377 1.00 33.98 N ATOM 1381 CA ALA A 94 -22.084 34.278 -39.977 1.00 33.67 C ATOM 1382 C ALA A 94 -22.772 33.362 -38.972 1.00 33.81 C ATOM 1383 O ALA A 94 -22.559 33.484 -37.752 1.00 32.25 O ATOM 1384 CB ALA A 94 -20.851 33.543 -40.523 1.00 32.28 C ATOM 1385 HA ALA A 94 -22.786 34.512 -40.777 1.00 0.00 H ATOM 1386 HB1 ALA A 94 -20.370 34.158 -41.283 1.00 0.00 H ATOM 1387 HB2 ALA A 94 -20.151 33.356 -39.709 1.00 0.00 H ATOM 1388 HB3 ALA A 94 -21.160 32.595 -40.963 1.00 0.00 H ATOM 1389 H ALA A 94 -21.913 35.749 -38.380 1.00 0.00 H ATOM 1390 N VAL A 95 -23.519 32.398 -39.500 1.00 32.98 N ATOM 1391 CA VAL A 95 -23.919 31.232 -38.722 1.00 33.41 C ATOM 1392 C VAL A 95 -22.718 30.256 -38.567 1.00 32.78 C ATOM 1393 O VAL A 95 -22.148 29.792 -39.554 1.00 33.64 O ATOM 1394 CB VAL A 95 -25.154 30.555 -39.365 1.00 34.68 C ATOM 1395 CG1 VAL A 95 -25.682 29.401 -38.477 1.00 34.05 C ATOM 1396 CG2 VAL A 95 -26.246 31.605 -39.666 1.00 34.89 C ATOM 1397 HA VAL A 95 -24.213 31.545 -37.720 1.00 0.00 H ATOM 1398 HB VAL A 95 -24.855 30.110 -40.314 1.00 0.00 H ATOM 1399 HG11 VAL A 95 -24.899 28.653 -38.352 1.00 0.00 H ATOM 1400 HG12 VAL A 95 -25.968 29.796 -37.502 1.00 0.00 H ATOM 1401 HG13 VAL A 95 -26.549 28.945 -38.954 1.00 0.00 H ATOM 1402 HG21 VAL A 95 -26.548 32.089 -38.737 1.00 0.00 H ATOM 1403 HG22 VAL A 95 -25.850 32.352 -40.355 1.00 0.00 H ATOM 1404 HG23 VAL A 95 -27.107 31.113 -40.118 1.00 0.00 H ATOM 1405 H VAL A 95 -23.825 32.477 -40.491 1.00 0.00 H ATOM 1406 N TYR A 96 -22.312 29.997 -37.322 1.00 32.87 N ATOM 1407 CA TYR A 96 -21.233 29.069 -37.011 1.00 31.18 C ATOM 1408 C TYR A 96 -21.740 27.718 -36.627 1.00 32.56 C ATOM 1409 O TYR A 96 -22.640 27.620 -35.832 1.00 34.93 O ATOM 1410 CB TYR A 96 -20.422 29.592 -35.848 1.00 29.90 C ATOM 1411 CG TYR A 96 -19.598 30.755 -36.262 1.00 29.54 C ATOM 1412 CD1 TYR A 96 -18.245 30.661 -36.296 1.00 25.66 C ATOM 1413 CD2 TYR A 96 -20.198 31.930 -36.714 1.00 27.82 C ATOM 1414 CE1 TYR A 96 -17.470 31.740 -36.687 1.00 29.45 C ATOM 1415 CE2 TYR A 96 -19.423 32.994 -37.160 1.00 30.20 C ATOM 1416 CZ TYR A 96 -18.064 32.892 -37.140 1.00 26.91 C ATOM 1417 OH TYR A 96 -17.248 33.938 -37.597 1.00 29.23 O ATOM 1418 HA TYR A 96 -20.629 28.982 -37.914 1.00 0.00 H ATOM 1419 HB3 TYR A 96 -19.767 28.801 -35.484 1.00 0.00 H ATOM 1420 HB2 TYR A 96 -21.098 29.898 -35.050 1.00 0.00 H ATOM 1421 HD2 TYR A 96 -21.285 32.015 -36.718 1.00 0.00 H ATOM 1422 HE2 TYR A 96 -19.899 33.905 -37.524 1.00 0.00 H ATOM 1423 HE1 TYR A 96 -16.383 31.674 -36.635 1.00 0.00 H ATOM 1424 HD1 TYR A 96 -17.763 29.726 -36.012 1.00 0.00 H ATOM 1425 HH TYR A 96 -17.424 34.751 -37.060 1.00 0.00 H ATOM 1426 H TYR A 96 -22.789 30.482 -36.535 1.00 0.00 H ATOM 1427 N TYR A 97 -21.123 26.671 -37.159 1.00 33.17 N ATOM 1428 CA TYR A 97 -21.639 25.311 -36.972 1.00 35.04 C ATOM 1429 C TYR A 97 -20.531 24.468 -36.429 1.00 34.24 C ATOM 1430 O TYR A 97 -19.413 24.555 -36.898 1.00 31.77 O ATOM 1431 CB TYR A 97 -22.036 24.682 -38.298 1.00 34.28 C ATOM 1432 CG TYR A 97 -23.150 25.376 -39.045 1.00 38.37 C ATOM 1433 CD1 TYR A 97 -22.870 26.449 -39.875 1.00 40.01 C ATOM 1434 CD2 TYR A 97 -24.462 24.898 -39.005 1.00 38.20 C ATOM 1435 CE1 TYR A 97 -23.841 27.063 -40.611 1.00 39.27 C ATOM 1436 CE2 TYR A 97 -25.461 25.513 -39.759 1.00 42.18 C ATOM 1437 CZ TYR A 97 -25.132 26.596 -40.559 1.00 42.64 C ATOM 1438 OH TYR A 97 -26.072 27.265 -41.302 1.00 45.78 O ATOM 1439 HA TYR A 97 -22.504 25.363 -36.311 1.00 0.00 H ATOM 1440 HB3 TYR A 97 -22.352 23.657 -38.102 1.00 0.00 H ATOM 1441 HB2 TYR A 97 -21.156 24.673 -38.941 1.00 0.00 H ATOM 1442 HD2 TYR A 97 -24.706 24.039 -38.380 1.00 0.00 H ATOM 1443 HE2 TYR A 97 -26.487 25.147 -39.720 1.00 0.00 H ATOM 1444 HE1 TYR A 97 -23.594 27.920 -41.237 1.00 0.00 H ATOM 1445 HD1 TYR A 97 -21.845 26.813 -39.942 1.00 0.00 H ATOM 1446 HH TYR A 97 -25.635 28.001 -41.799 1.00 0.00 H ATOM 1447 H TYR A 97 -20.258 26.817 -37.718 1.00 0.00 H ATOM 1448 N CYS A 98 -20.849 23.614 -35.471 1.00 36.38 N ATOM 1449 CA CYS A 98 -19.834 22.712 -34.964 1.00 35.86 C ATOM 1450 C CYS A 98 -20.159 21.341 -35.613 1.00 36.77 C ATOM 1451 O CYS A 98 -21.289 21.097 -36.018 1.00 34.81 O ATOM 1452 CB CYS A 98 -19.859 22.712 -33.413 1.00 37.49 C ATOM 1453 SG CYS A 98 -20.159 21.123 -32.813 1.00 47.26 S ATOM 1454 HA CYS A 98 -18.814 23.000 -35.219 1.00 0.00 H ATOM 1455 HB2 CYS A 98 -20.647 23.381 -33.067 1.00 0.00 H ATOM 1456 HB3 CYS A 98 -18.897 23.061 -33.039 1.00 0.00 H ATOM 1457 H CYS A 98 -21.815 23.590 -35.086 1.00 0.00 H ATOM 1458 N ALA A 99 -19.136 20.514 -35.820 1.00 34.97 N ATOM 1459 CA ALA A 99 -19.282 19.249 -36.509 1.00 34.41 C ATOM 1460 C ALA A 99 -18.269 18.258 -36.005 1.00 34.29 C ATOM 1461 O ALA A 99 -17.144 18.643 -35.539 1.00 35.75 O ATOM 1462 CB ALA A 99 -19.072 19.444 -38.025 1.00 35.42 C ATOM 1463 HA ALA A 99 -20.287 18.872 -36.320 1.00 0.00 H ATOM 1464 HB1 ALA A 99 -19.813 20.147 -38.406 1.00 0.00 H ATOM 1465 HB2 ALA A 99 -18.071 19.836 -38.204 1.00 0.00 H ATOM 1466 HB3 ALA A 99 -19.184 18.486 -38.532 1.00 0.00 H ATOM 1467 H ALA A 99 -18.195 20.788 -35.473 1.00 0.00 H ATOM 1468 N ALA A 100 -18.587 16.996 -36.245 1.00 34.19 N ATOM 1469 CA ALA A 100 -17.749 15.868 -35.868 1.00 34.77 C ATOM 1470 C ALA A 100 -17.419 14.979 -37.060 1.00 34.60 C ATOM 1471 O ALA A 100 -18.235 14.795 -37.957 1.00 36.17 O ATOM 1472 CB ALA A 100 -18.436 15.058 -34.793 1.00 37.29 C ATOM 1473 HA ALA A 100 -16.809 16.266 -35.486 1.00 0.00 H ATOM 1474 HB1 ALA A 100 -18.609 15.688 -33.920 1.00 0.00 H ATOM 1475 HB2 ALA A 100 -19.390 14.689 -35.171 1.00 0.00 H ATOM 1476 HB3 ALA A 100 -17.803 14.215 -34.515 1.00 0.00 H ATOM 1477 H ALA A 100 -19.486 16.800 -36.730 1.00 0.00 H ATOM 1478 N ASP A 101 -16.227 14.396 -37.038 1.00 34.67 N ATOM 1479 CA ASP A 101 -15.721 13.592 -38.148 1.00 35.96 C ATOM 1480 C ASP A 101 -14.884 12.488 -37.538 1.00 37.50 C ATOM 1481 O ASP A 101 -14.249 12.685 -36.497 1.00 36.73 O ATOM 1482 CB ASP A 101 -14.880 14.451 -39.130 1.00 35.03 C ATOM 1483 CG ASP A 101 -14.555 13.730 -40.460 1.00 37.44 C ATOM 1484 OD1 ASP A 101 -14.350 14.421 -41.477 1.00 35.21 O ATOM 1485 OD2 ASP A 101 -14.482 12.489 -40.502 1.00 39.19 O ATOM 1486 HA ASP A 101 -16.545 13.180 -38.731 1.00 0.00 H ATOM 1487 HB2 ASP A 101 -15.437 15.360 -39.357 1.00 0.00 H ATOM 1488 HB3 ASP A 101 -13.942 14.714 -38.642 1.00 0.00 H ATOM 1489 H ASP A 101 -15.628 14.516 -36.196 1.00 0.00 H ATOM 1490 N ASP A 102 -14.915 11.320 -38.177 1.00 39.79 N ATOM 1491 CA ASP A 102 -14.298 10.109 -37.625 1.00 42.61 C ATOM 1492 C ASP A 102 -12.776 10.156 -37.775 1.00 41.95 C ATOM 1493 O ASP A 102 -12.045 9.342 -37.191 1.00 43.80 O ATOM 1494 CB ASP A 102 -14.870 8.843 -38.289 1.00 43.98 C ATOM 1495 CG ASP A 102 -14.657 8.824 -39.813 1.00 46.25 C ATOM 1496 OD1 ASP A 102 -15.662 8.692 -40.562 1.00 48.37 O ATOM 1497 OD2 ASP A 102 -13.484 8.909 -40.260 1.00 44.17 O ATOM 1498 HA ASP A 102 -14.536 10.069 -36.562 1.00 0.00 H ATOM 1499 HB2 ASP A 102 -14.380 7.970 -37.857 1.00 0.00 H ATOM 1500 HB3 ASP A 102 -15.940 8.795 -38.085 1.00 0.00 H ATOM 1501 H ASP A 102 -15.393 11.265 -39.099 1.00 0.00 H ATOM 1502 N ASN A 103 -12.308 11.074 -38.611 1.00 39.37 N ATOM 1503 CA ASN A 103 -10.880 11.294 -38.740 1.00 38.40 C ATOM 1504 C ASN A 103 -10.622 12.771 -38.957 1.00 35.16 C ATOM 1505 O ASN A 103 -11.532 13.516 -39.340 1.00 31.94 O ATOM 1506 CB ASN A 103 -10.288 10.465 -39.886 1.00 38.69 C ATOM 1507 CG ASN A 103 -10.540 11.098 -41.229 1.00 39.14 C ATOM 1508 OD1 ASN A 103 -9.725 11.879 -41.739 1.00 41.76 O ATOM 1509 ND2 ASN A 103 -11.678 10.815 -41.787 1.00 38.04 N ATOM 1510 HA ASN A 103 -10.390 10.970 -37.822 1.00 0.00 H ATOM 1511 HB2 ASN A 103 -9.212 10.374 -39.736 1.00 0.00 H ATOM 1512 HB3 ASN A 103 -10.740 9.473 -39.874 1.00 0.00 H ATOM 1513 HD22 ASN A 103 -12.334 10.153 -41.324 1.00 0.00 H ATOM 1514 HD21 ASN A 103 -11.934 11.250 -42.696 1.00 0.00 H ATOM 1515 H ASN A 103 -12.970 11.640 -39.178 1.00 0.00 H ATOM 1516 N TYR A 104 -9.358 13.162 -38.797 1.00 33.81 N ATOM 1517 CA TYR A 104 -8.986 14.561 -38.718 1.00 32.39 C ATOM 1518 C TYR A 104 -8.676 15.139 -40.111 1.00 32.26 C ATOM 1519 O TYR A 104 -8.561 16.350 -40.292 1.00 30.64 O ATOM 1520 CB TYR A 104 -7.782 14.688 -37.774 1.00 33.39 C ATOM 1521 CG TYR A 104 -7.115 16.058 -37.691 1.00 30.25 C ATOM 1522 CD1 TYR A 104 -7.612 17.064 -36.868 1.00 30.22 C ATOM 1523 CD2 TYR A 104 -5.949 16.323 -38.407 1.00 33.12 C ATOM 1524 CE1 TYR A 104 -6.969 18.347 -36.801 1.00 28.45 C ATOM 1525 CE2 TYR A 104 -5.282 17.561 -38.314 1.00 31.89 C ATOM 1526 CZ TYR A 104 -5.805 18.562 -37.509 1.00 33.14 C ATOM 1527 OH TYR A 104 -5.134 19.777 -37.447 1.00 32.39 O ATOM 1528 HA TYR A 104 -9.820 15.141 -38.324 1.00 0.00 H ATOM 1529 HB3 TYR A 104 -7.028 13.973 -38.103 1.00 0.00 H ATOM 1530 HB2 TYR A 104 -8.119 14.424 -36.772 1.00 0.00 H ATOM 1531 HD2 TYR A 104 -5.541 15.550 -39.058 1.00 0.00 H ATOM 1532 HE2 TYR A 104 -4.361 17.731 -38.871 1.00 0.00 H ATOM 1533 HE1 TYR A 104 -7.398 19.145 -36.195 1.00 0.00 H ATOM 1534 HD1 TYR A 104 -8.501 16.876 -36.266 1.00 0.00 H ATOM 1535 HH TYR A 104 -5.619 20.390 -36.839 1.00 0.00 H ATOM 1536 H TYR A 104 -8.613 12.439 -38.726 1.00 0.00 H ATOM 1537 N VAL A 105 -8.465 14.253 -41.076 1.00 33.80 N ATOM 1538 CA VAL A 105 -8.043 14.672 -42.408 1.00 32.83 C ATOM 1539 C VAL A 105 -9.276 15.281 -43.093 1.00 30.85 C ATOM 1540 O VAL A 105 -9.237 16.414 -43.551 1.00 32.09 O ATOM 1541 CB VAL A 105 -7.434 13.500 -43.220 1.00 33.89 C ATOM 1542 CG1 VAL A 105 -7.370 13.851 -44.726 1.00 35.40 C ATOM 1543 CG2 VAL A 105 -6.034 13.046 -42.674 1.00 34.80 C ATOM 1544 HA VAL A 105 -7.244 15.411 -42.343 1.00 0.00 H ATOM 1545 HB VAL A 105 -8.100 12.646 -43.095 1.00 0.00 H ATOM 1546 HG11 VAL A 105 -8.376 14.050 -45.095 1.00 0.00 H ATOM 1547 HG12 VAL A 105 -6.749 14.736 -44.865 1.00 0.00 H ATOM 1548 HG13 VAL A 105 -6.939 13.014 -45.275 1.00 0.00 H ATOM 1549 HG21 VAL A 105 -5.338 13.883 -42.722 1.00 0.00 H ATOM 1550 HG22 VAL A 105 -6.138 12.717 -41.640 1.00 0.00 H ATOM 1551 HG23 VAL A 105 -5.658 12.223 -43.282 1.00 0.00 H ATOM 1552 H VAL A 105 -8.603 13.241 -40.879 1.00 0.00 H ATOM 1553 N THR A 106 -10.394 14.588 -43.050 1.00 30.66 N ATOM 1554 CA THR A 106 -11.578 15.018 -43.768 1.00 29.30 C ATOM 1555 C THR A 106 -12.410 16.044 -43.026 1.00 30.14 C ATOM 1556 O THR A 106 -13.361 16.593 -43.588 1.00 32.76 O ATOM 1557 CB THR A 106 -12.469 13.797 -44.219 1.00 30.63 C ATOM 1558 OG1 THR A 106 -13.105 13.171 -43.087 1.00 32.45 O ATOM 1559 CG2 THR A 106 -11.620 12.755 -45.001 1.00 30.94 C ATOM 1560 HA THR A 106 -11.199 15.519 -44.659 1.00 0.00 H ATOM 1561 HB THR A 106 -13.247 14.181 -44.879 1.00 0.00 H ATOM 1562 HG1 THR A 106 -13.682 13.831 -42.627 1.00 0.00 H ATOM 1563 HG23 THR A 106 -11.145 13.241 -45.853 1.00 0.00 H ATOM 1564 HG21 THR A 106 -10.855 12.344 -44.343 1.00 0.00 H ATOM 1565 HG22 THR A 106 -12.267 11.952 -45.353 1.00 0.00 H ATOM 1566 H THR A 106 -10.429 13.713 -42.489 1.00 0.00 H ATOM 1567 N ALA A 107 -12.067 16.298 -41.774 1.00 29.26 N ATOM 1568 CA ALA A 107 -12.856 17.127 -40.887 1.00 30.85 C ATOM 1569 C ALA A 107 -12.960 18.569 -41.376 1.00 30.31 C ATOM 1570 O ALA A 107 -13.869 19.274 -40.980 1.00 32.46 O ATOM 1571 CB ALA A 107 -12.244 17.104 -39.440 1.00 31.17 C ATOM 1572 HA ALA A 107 -13.863 16.711 -40.873 1.00 0.00 H ATOM 1573 HB1 ALA A 107 -12.240 16.081 -39.065 1.00 0.00 H ATOM 1574 HB2 ALA A 107 -11.223 17.485 -39.473 1.00 0.00 H ATOM 1575 HB3 ALA A 107 -12.846 17.731 -38.782 1.00 0.00 H ATOM 1576 H ALA A 107 -11.187 15.882 -41.409 1.00 0.00 H ATOM 1577 N SER A 108 -12.033 19.003 -42.214 1.00 29.55 N ATOM 1578 CA SER A 108 -12.027 20.381 -42.702 1.00 29.03 C ATOM 1579 C SER A 108 -12.671 20.497 -44.084 1.00 28.99 C ATOM 1580 O SER A 108 -12.671 21.555 -44.680 1.00 29.79 O ATOM 1581 CB SER A 108 -10.595 20.931 -42.755 1.00 27.25 C ATOM 1582 OG SER A 108 -9.675 20.004 -43.338 1.00 31.93 O ATOM 1583 HA SER A 108 -12.616 20.971 -42.000 1.00 0.00 H ATOM 1584 HB2 SER A 108 -10.269 21.157 -41.740 1.00 0.00 H ATOM 1585 HB3 SER A 108 -10.593 21.846 -43.348 1.00 0.00 H ATOM 1586 HG SER A 108 -8.769 20.403 -43.350 1.00 0.00 H ATOM 1587 H SER A 108 -11.291 18.348 -42.533 1.00 0.00 H ATOM 1588 N TRP A 109 -13.198 19.389 -44.584 1.00 29.88 N ATOM 1589 CA TRP A 109 -13.749 19.302 -45.913 1.00 30.50 C ATOM 1590 C TRP A 109 -15.247 19.293 -45.788 1.00 31.92 C ATOM 1591 O TRP A 109 -15.807 18.564 -44.975 1.00 32.12 O ATOM 1592 CB TRP A 109 -13.253 18.021 -46.571 1.00 30.69 C ATOM 1593 CG TRP A 109 -13.804 17.715 -47.954 1.00 33.57 C ATOM 1594 CD1 TRP A 109 -13.817 18.554 -49.050 1.00 30.40 C ATOM 1595 CD2 TRP A 109 -14.327 16.449 -48.411 1.00 30.33 C ATOM 1596 NE1 TRP A 109 -14.299 17.872 -50.147 1.00 31.50 N ATOM 1597 CE2 TRP A 109 -14.633 16.591 -49.780 1.00 32.99 C ATOM 1598 CE3 TRP A 109 -14.573 15.210 -47.785 1.00 36.77 C ATOM 1599 CZ2 TRP A 109 -15.229 15.540 -50.549 1.00 35.51 C ATOM 1600 CZ3 TRP A 109 -15.143 14.151 -48.542 1.00 32.86 C ATOM 1601 CH2 TRP A 109 -15.444 14.328 -49.918 1.00 35.43 C ATOM 1602 HA TRP A 109 -13.439 20.147 -46.528 1.00 0.00 H ATOM 1603 HB2 TRP A 109 -12.168 18.089 -46.653 1.00 0.00 H ATOM 1604 HB3 TRP A 109 -13.515 17.189 -45.918 1.00 0.00 H ATOM 1605 HE1 TRP A 109 -14.395 18.266 -51.105 1.00 0.00 H ATOM 1606 HD1 TRP A 109 -13.496 19.596 -49.048 1.00 0.00 H ATOM 1607 HZ2 TRP A 109 -15.503 15.690 -51.593 1.00 0.00 H ATOM 1608 HH2 TRP A 109 -15.852 13.493 -50.488 1.00 0.00 H ATOM 1609 HZ3 TRP A 109 -15.351 13.195 -48.062 1.00 0.00 H ATOM 1610 HE3 TRP A 109 -14.329 15.066 -46.733 1.00 0.00 H ATOM 1611 H TRP A 109 -13.215 18.538 -43.987 1.00 0.00 H ATOM 1612 N ARG A 110 -15.918 20.126 -46.570 1.00 33.58 N ATOM 1613 CA ARG A 110 -17.349 20.266 -46.399 1.00 34.16 C ATOM 1614 C ARG A 110 -18.055 18.900 -46.297 1.00 35.84 C ATOM 1615 O ARG A 110 -19.008 18.760 -45.535 1.00 36.34 O ATOM 1616 CB ARG A 110 -17.950 21.098 -47.539 1.00 36.78 C ATOM 1617 CG ARG A 110 -19.513 21.136 -47.584 1.00 39.61 C ATOM 1618 CD ARG A 110 -20.212 21.785 -46.320 1.00 40.70 C ATOM 1619 NE ARG A 110 -21.694 21.796 -46.407 1.00 45.32 N ATOM 1620 CZ ARG A 110 -22.479 20.813 -45.962 1.00 47.77 C ATOM 1621 NH1 ARG A 110 -21.945 19.724 -45.435 1.00 46.41 N ATOM 1622 NH2 ARG A 110 -23.803 20.893 -46.062 1.00 52.86 N ATOM 1623 HA ARG A 110 -17.513 20.788 -45.457 1.00 0.00 H ATOM 1624 HB2 ARG A 110 -17.590 22.122 -47.435 1.00 0.00 H ATOM 1625 HB3 ARG A 110 -17.595 20.683 -48.483 1.00 0.00 H ATOM 1626 HG2 ARG A 110 -19.811 21.707 -48.464 1.00 0.00 H ATOM 1627 HG3 ARG A 110 -19.872 20.111 -47.678 1.00 0.00 H ATOM 1628 HD2 ARG A 110 -19.864 22.813 -46.222 1.00 0.00 H ATOM 1629 HD3 ARG A 110 -19.922 21.218 -45.435 1.00 0.00 H ATOM 1630 HE ARG A 110 -22.150 22.623 -46.843 1.00 0.00 H ATOM 1631 HH12 ARG A 110 -22.559 18.959 -45.089 1.00 0.00 H ATOM 1632 HH11 ARG A 110 -20.911 19.632 -45.367 1.00 0.00 H ATOM 1633 HH22 ARG A 110 -24.399 20.117 -45.710 1.00 0.00 H ATOM 1634 HH21 ARG A 110 -24.242 21.732 -46.493 1.00 0.00 H ATOM 1635 H ARG A 110 -15.421 20.675 -47.300 1.00 0.00 H ATOM 1636 N SER A 111 -17.622 17.904 -47.076 1.00 35.55 N ATOM 1637 CA SER A 111 -18.334 16.617 -47.107 1.00 34.56 C ATOM 1638 C SER A 111 -17.782 15.644 -46.095 1.00 33.87 C ATOM 1639 O SER A 111 -18.276 14.524 -46.004 1.00 33.28 O ATOM 1640 CB SER A 111 -18.252 15.960 -48.486 1.00 35.92 C ATOM 1641 OG SER A 111 -18.903 16.702 -49.498 1.00 38.64 O ATOM 1642 HA SER A 111 -19.372 16.846 -46.866 1.00 0.00 H ATOM 1643 HB2 SER A 111 -18.714 14.974 -48.428 1.00 0.00 H ATOM 1644 HB3 SER A 111 -17.202 15.853 -48.757 1.00 0.00 H ATOM 1645 HG SER A 111 -18.815 16.227 -50.362 1.00 0.00 H ATOM 1646 H SER A 111 -16.775 18.040 -47.665 1.00 0.00 H ATOM 1647 N GLY A 112 -16.705 16.028 -45.391 1.00 31.70 N ATOM 1648 CA GLY A 112 -16.102 15.162 -44.361 1.00 32.24 C ATOM 1649 C GLY A 112 -16.960 14.801 -43.154 1.00 34.10 C ATOM 1650 O GLY A 112 -17.242 13.625 -42.896 1.00 35.69 O ATOM 1651 HA3 GLY A 112 -15.211 15.668 -43.989 1.00 0.00 H ATOM 1652 HA2 GLY A 112 -15.812 14.230 -44.846 1.00 0.00 H ATOM 1653 H GLY A 112 -16.285 16.961 -45.577 1.00 0.00 H ATOM 1654 N PRO A 113 -17.385 15.779 -42.396 1.00 34.07 N ATOM 1655 CA PRO A 113 -18.025 15.511 -41.136 1.00 34.45 C ATOM 1656 C PRO A 113 -19.285 14.662 -41.218 1.00 37.81 C ATOM 1657 O PRO A 113 -20.142 14.884 -42.023 1.00 39.67 O ATOM 1658 CB PRO A 113 -18.344 16.894 -40.670 1.00 33.87 C ATOM 1659 CG PRO A 113 -17.207 17.670 -41.111 1.00 30.87 C ATOM 1660 CD PRO A 113 -16.745 17.094 -42.373 1.00 32.51 C ATOM 1661 HA PRO A 113 -17.389 14.920 -40.477 1.00 0.00 H ATOM 1662 HD3 PRO A 113 -17.066 17.700 -43.220 1.00 0.00 H ATOM 1663 HD2 PRO A 113 -15.659 17.001 -42.386 1.00 0.00 H ATOM 1664 HG3 PRO A 113 -16.412 17.622 -40.367 1.00 0.00 H ATOM 1665 HG2 PRO A 113 -17.501 18.709 -41.261 1.00 0.00 H ATOM 1666 HB2 PRO A 113 -19.265 17.257 -41.127 1.00 0.00 H ATOM 1667 HB3 PRO A 113 -18.441 16.927 -39.585 1.00 0.00 H ATOM 1668 N ASP A 119 -19.371 13.714 -40.317 1.00 44.27 N ATOM 1669 CA ASP A 119 -20.498 12.822 -40.204 1.00 46.42 C ATOM 1670 C ASP A 119 -21.692 13.424 -39.417 1.00 45.88 C ATOM 1671 O ASP A 119 -22.769 12.916 -39.514 1.00 46.53 O ATOM 1672 CB ASP A 119 -20.030 11.512 -39.575 1.00 48.83 C ATOM 1673 CG ASP A 119 -18.999 10.755 -40.422 1.00 51.97 C ATOM 1674 OD1 ASP A 119 -18.049 10.219 -39.854 1.00 53.51 O ATOM 1675 OD2 ASP A 119 -19.147 10.658 -41.638 1.00 53.81 O ATOM 1676 HA ASP A 119 -20.879 12.644 -41.210 1.00 0.00 H ATOM 1677 HB2 ASP A 119 -19.583 11.735 -38.606 1.00 0.00 H ATOM 1678 HB3 ASP A 119 -20.898 10.869 -39.433 1.00 0.00 H ATOM 1679 H ASP A 119 -18.584 13.599 -39.647 1.00 0.00 H ATOM 1680 N TYR A 120 -21.474 14.510 -38.661 1.00 43.29 N ATOM 1681 CA TYR A 120 -22.447 15.164 -37.781 1.00 42.58 C ATOM 1682 C TYR A 120 -22.348 16.682 -37.772 1.00 40.08 C ATOM 1683 O TYR A 120 -21.249 17.256 -37.684 1.00 37.18 O ATOM 1684 CB TYR A 120 -22.321 14.659 -36.343 1.00 43.14 C ATOM 1685 CG TYR A 120 -22.566 13.184 -36.185 1.00 44.61 C ATOM 1686 CD1 TYR A 120 -21.502 12.286 -36.204 1.00 44.07 C ATOM 1687 CD2 TYR A 120 -23.854 12.681 -36.049 1.00 47.26 C ATOM 1688 CE1 TYR A 120 -21.700 10.930 -36.062 1.00 47.81 C ATOM 1689 CE2 TYR A 120 -24.072 11.295 -35.940 1.00 51.10 C ATOM 1690 CZ TYR A 120 -22.979 10.435 -35.937 1.00 50.12 C ATOM 1691 OH TYR A 120 -23.137 9.078 -35.810 1.00 54.87 O ATOM 1692 HA TYR A 120 -23.419 14.898 -38.196 1.00 0.00 H ATOM 1693 HB3 TYR A 120 -23.044 15.194 -35.728 1.00 0.00 H ATOM 1694 HB2 TYR A 120 -21.313 14.878 -35.990 1.00 0.00 H ATOM 1695 HD2 TYR A 120 -24.702 13.365 -36.027 1.00 0.00 H ATOM 1696 HE2 TYR A 120 -25.085 10.900 -35.859 1.00 0.00 H ATOM 1697 HE1 TYR A 120 -20.847 10.251 -36.049 1.00 0.00 H ATOM 1698 HD1 TYR A 120 -20.488 12.665 -36.334 1.00 0.00 H ATOM 1699 HH TYR A 120 -22.249 8.640 -35.830 1.00 0.00 H ATOM 1700 H TYR A 120 -20.523 14.929 -38.703 1.00 0.00 H ATOM 1701 N TRP A 121 -23.517 17.319 -37.716 1.00 41.68 N ATOM 1702 CA TRP A 121 -23.602 18.780 -37.790 1.00 40.51 C ATOM 1703 C TRP A 121 -24.533 19.377 -36.764 1.00 41.57 C ATOM 1704 O TRP A 121 -25.660 18.867 -36.563 1.00 42.46 O ATOM 1705 CB TRP A 121 -24.086 19.209 -39.177 1.00 41.15 C ATOM 1706 CG TRP A 121 -23.058 18.993 -40.240 1.00 41.12 C ATOM 1707 CD1 TRP A 121 -22.940 17.891 -41.068 1.00 44.35 C ATOM 1708 CD2 TRP A 121 -22.025 19.884 -40.615 1.00 39.43 C ATOM 1709 NE1 TRP A 121 -21.872 18.045 -41.908 1.00 37.81 N ATOM 1710 CE2 TRP A 121 -21.308 19.270 -41.679 1.00 38.82 C ATOM 1711 CE3 TRP A 121 -21.602 21.140 -40.149 1.00 34.08 C ATOM 1712 CZ2 TRP A 121 -20.187 19.857 -42.249 1.00 32.73 C ATOM 1713 CZ3 TRP A 121 -20.567 21.730 -40.753 1.00 33.29 C ATOM 1714 CH2 TRP A 121 -19.837 21.086 -41.786 1.00 34.03 C ATOM 1715 HA TRP A 121 -22.596 19.149 -37.588 1.00 0.00 H ATOM 1716 HB2 TRP A 121 -24.976 18.632 -39.430 1.00 0.00 H ATOM 1717 HB3 TRP A 121 -24.338 20.269 -39.146 1.00 0.00 H ATOM 1718 HE1 TRP A 121 -21.543 17.347 -42.605 1.00 0.00 H ATOM 1719 HD1 TRP A 121 -23.602 17.025 -41.053 1.00 0.00 H ATOM 1720 HZ2 TRP A 121 -19.615 19.357 -43.030 1.00 0.00 H ATOM 1721 HH2 TRP A 121 -18.973 21.590 -42.219 1.00 0.00 H ATOM 1722 HZ3 TRP A 121 -20.275 22.734 -40.444 1.00 0.00 H ATOM 1723 HE3 TRP A 121 -22.108 21.623 -39.313 1.00 0.00 H ATOM 1724 H TRP A 121 -24.392 16.765 -37.617 1.00 0.00 H ATOM 1725 N GLY A 122 -24.112 20.498 -36.160 1.00 38.58 N ATOM 1726 CA GLY A 122 -25.045 21.237 -35.266 1.00 40.78 C ATOM 1727 C GLY A 122 -26.179 21.942 -36.013 1.00 40.94 C ATOM 1728 O GLY A 122 -26.181 22.009 -37.223 1.00 40.23 O ATOM 1729 HA3 GLY A 122 -24.475 21.987 -34.717 1.00 0.00 H ATOM 1730 HA2 GLY A 122 -25.483 20.528 -34.563 1.00 0.00 H ATOM 1731 H GLY A 122 -23.145 20.847 -36.314 1.00 0.00 H ATOM 1732 N GLN A 123 -27.109 22.554 -35.307 1.00 44.85 N ATOM 1733 CA GLN A 123 -28.054 23.433 -36.000 1.00 46.96 C ATOM 1734 C GLN A 123 -27.555 24.881 -36.219 1.00 45.37 C ATOM 1735 O GLN A 123 -28.237 25.651 -36.900 1.00 46.75 O ATOM 1736 CB GLN A 123 -29.407 23.414 -35.336 1.00 50.90 C ATOM 1737 CG GLN A 123 -30.530 24.028 -36.192 1.00 56.32 C ATOM 1738 CD GLN A 123 -31.429 23.007 -36.869 1.00 62.66 C ATOM 1739 OE1 GLN A 123 -30.961 22.131 -37.609 1.00 63.38 O ATOM 1740 NE2 GLN A 123 -32.749 23.148 -36.660 1.00 65.90 N ATOM 1741 HA GLN A 123 -28.145 23.013 -37.002 1.00 0.00 H ATOM 1742 HB2 GLN A 123 -29.668 22.378 -35.118 1.00 0.00 H ATOM 1743 HB3 GLN A 123 -29.340 23.975 -34.404 1.00 0.00 H ATOM 1744 HG2 GLN A 123 -31.148 24.653 -35.548 1.00 0.00 H ATOM 1745 HG3 GLN A 123 -30.072 24.646 -36.965 1.00 0.00 H ATOM 1746 HE22 GLN A 123 -33.099 23.898 -36.030 1.00 0.00 H ATOM 1747 HE21 GLN A 123 -33.421 22.507 -37.128 1.00 0.00 H ATOM 1748 H GLN A 123 -27.171 22.415 -34.278 1.00 0.00 H ATOM 1749 N GLY A 124 -26.397 25.249 -35.647 1.00 40.51 N ATOM 1750 CA GLY A 124 -25.813 26.586 -35.859 1.00 39.92 C ATOM 1751 C GLY A 124 -26.151 27.750 -34.921 1.00 41.01 C ATOM 1752 O GLY A 124 -27.290 27.936 -34.551 1.00 43.06 O ATOM 1753 HA3 GLY A 124 -26.108 26.899 -36.861 1.00 0.00 H ATOM 1754 HA2 GLY A 124 -24.731 26.462 -35.822 1.00 0.00 H ATOM 1755 H GLY A 124 -25.898 24.571 -35.037 1.00 0.00 H ATOM 1756 N THR A 125 -25.151 28.570 -34.567 1.00 39.44 N ATOM 1757 CA THR A 125 -25.400 29.787 -33.752 1.00 39.37 C ATOM 1758 C THR A 125 -24.969 31.083 -34.493 1.00 37.41 C ATOM 1759 O THR A 125 -23.863 31.155 -35.034 1.00 35.72 O ATOM 1760 CB THR A 125 -24.729 29.682 -32.325 1.00 38.53 C ATOM 1761 OG1 THR A 125 -25.098 30.800 -31.508 1.00 42.14 O ATOM 1762 CG2 THR A 125 -23.203 29.628 -32.430 1.00 32.91 C ATOM 1763 HA THR A 125 -26.477 29.851 -33.600 1.00 0.00 H ATOM 1764 HB THR A 125 -25.087 28.759 -31.868 1.00 0.00 H ATOM 1765 HG1 THR A 125 -26.082 30.817 -31.399 1.00 0.00 H ATOM 1766 HG23 THR A 125 -22.913 28.780 -33.050 1.00 0.00 H ATOM 1767 HG21 THR A 125 -22.838 30.551 -32.881 1.00 0.00 H ATOM 1768 HG22 THR A 125 -22.775 29.515 -31.434 1.00 0.00 H ATOM 1769 H THR A 125 -24.181 28.350 -34.869 1.00 0.00 H ATOM 1770 N GLN A 126 -25.874 32.072 -34.526 1.00 38.42 N ATOM 1771 CA GLN A 126 -25.673 33.385 -35.181 1.00 37.65 C ATOM 1772 C GLN A 126 -24.681 34.246 -34.435 1.00 36.23 C ATOM 1773 O GLN A 126 -24.915 34.569 -33.259 1.00 36.63 O ATOM 1774 CB GLN A 126 -27.015 34.169 -35.249 1.00 39.44 C ATOM 1775 CG GLN A 126 -26.906 35.489 -36.047 1.00 40.55 C ATOM 1776 CD GLN A 126 -26.447 35.265 -37.522 1.00 41.42 C ATOM 1777 OE1 GLN A 126 -27.075 34.522 -38.245 1.00 39.02 O ATOM 1778 NE2 GLN A 126 -25.297 35.840 -37.911 1.00 37.99 N ATOM 1779 HA GLN A 126 -25.291 33.175 -36.180 1.00 0.00 H ATOM 1780 HB2 GLN A 126 -27.763 33.536 -35.726 1.00 0.00 H ATOM 1781 HB3 GLN A 126 -27.333 34.403 -34.233 1.00 0.00 H ATOM 1782 HG2 GLN A 126 -27.882 35.974 -36.055 1.00 0.00 H ATOM 1783 HG3 GLN A 126 -26.184 36.138 -35.551 1.00 0.00 H ATOM 1784 HE22 GLN A 126 -24.786 36.472 -37.262 1.00 0.00 H ATOM 1785 HE21 GLN A 126 -24.917 35.653 -38.861 1.00 0.00 H ATOM 1786 H GLN A 126 -26.786 31.904 -34.056 1.00 0.00 H ATOM 1787 N VAL A 127 -23.589 34.606 -35.105 1.00 33.96 N ATOM 1788 CA VAL A 127 -22.684 35.666 -34.659 1.00 33.33 C ATOM 1789 C VAL A 127 -22.738 36.925 -35.542 1.00 35.42 C ATOM 1790 O VAL A 127 -22.483 36.838 -36.748 1.00 33.89 O ATOM 1791 CB VAL A 127 -21.226 35.186 -34.688 1.00 32.53 C ATOM 1792 CG1 VAL A 127 -20.306 36.330 -34.302 1.00 31.81 C ATOM 1793 CG2 VAL A 127 -21.056 33.932 -33.775 1.00 31.15 C ATOM 1794 HA VAL A 127 -23.017 35.912 -33.651 1.00 0.00 H ATOM 1795 HB VAL A 127 -20.950 34.877 -35.696 1.00 0.00 H ATOM 1796 HG11 VAL A 127 -20.432 37.150 -35.009 1.00 0.00 H ATOM 1797 HG12 VAL A 127 -20.556 36.672 -33.298 1.00 0.00 H ATOM 1798 HG13 VAL A 127 -19.272 35.986 -34.324 1.00 0.00 H ATOM 1799 HG21 VAL A 127 -21.328 34.190 -32.751 1.00 0.00 H ATOM 1800 HG22 VAL A 127 -21.704 33.132 -34.134 1.00 0.00 H ATOM 1801 HG23 VAL A 127 -20.018 33.601 -33.804 1.00 0.00 H ATOM 1802 H VAL A 127 -23.367 34.109 -35.991 1.00 0.00 H ATOM 1803 N THR A 128 -23.078 38.086 -34.950 1.00 36.72 N ATOM 1804 CA THR A 128 -23.092 39.348 -35.692 1.00 37.37 C ATOM 1805 C THR A 128 -22.084 40.332 -35.114 1.00 37.81 C ATOM 1806 O THR A 128 -22.109 40.632 -33.926 1.00 36.91 O ATOM 1807 CB THR A 128 -24.463 39.998 -35.697 1.00 41.10 C ATOM 1808 OG1 THR A 128 -25.461 39.065 -36.139 1.00 40.76 O ATOM 1809 CG2 THR A 128 -24.476 41.185 -36.645 1.00 43.99 C ATOM 1810 HA THR A 128 -22.822 39.101 -36.719 1.00 0.00 H ATOM 1811 HB THR A 128 -24.682 40.323 -34.680 1.00 0.00 H ATOM 1812 HG1 THR A 128 -26.348 39.506 -36.136 1.00 0.00 H ATOM 1813 HG23 THR A 128 -23.725 41.909 -36.329 1.00 0.00 H ATOM 1814 HG21 THR A 128 -24.251 40.844 -37.656 1.00 0.00 H ATOM 1815 HG22 THR A 128 -25.461 41.651 -36.628 1.00 0.00 H ATOM 1816 H THR A 128 -23.337 38.086 -33.943 1.00 0.00 H ATOM 1817 N VAL A 129 -21.178 40.808 -35.975 1.00 38.53 N ATOM 1818 CA VAL A 129 -20.165 41.789 -35.632 1.00 38.77 C ATOM 1819 C VAL A 129 -20.551 43.078 -36.347 1.00 42.29 C ATOM 1820 O VAL A 129 -20.563 43.117 -37.579 1.00 42.26 O ATOM 1821 CB VAL A 129 -18.738 41.325 -36.085 1.00 37.97 C ATOM 1822 CG1 VAL A 129 -17.630 42.133 -35.414 1.00 38.10 C ATOM 1823 CG2 VAL A 129 -18.510 39.835 -35.809 1.00 34.12 C ATOM 1824 HA VAL A 129 -20.121 41.926 -34.552 1.00 0.00 H ATOM 1825 HB VAL A 129 -18.696 41.499 -37.160 1.00 0.00 H ATOM 1826 HG11 VAL A 129 -17.743 43.186 -35.672 1.00 0.00 H ATOM 1827 HG12 VAL A 129 -17.699 42.013 -34.333 1.00 0.00 H ATOM 1828 HG13 VAL A 129 -16.660 41.775 -35.760 1.00 0.00 H ATOM 1829 HG21 VAL A 129 -18.609 39.645 -34.740 1.00 0.00 H ATOM 1830 HG22 VAL A 129 -19.250 39.249 -36.353 1.00 0.00 H ATOM 1831 HG23 VAL A 129 -17.509 39.555 -36.138 1.00 0.00 H ATOM 1832 H VAL A 129 -21.201 40.453 -36.952 1.00 0.00 H ATOM 1833 N SER A 130 -20.921 44.106 -35.572 1.00 44.30 N ATOM 1834 CA SER A 130 -20.986 45.473 -36.066 1.00 48.18 C ATOM 1835 C SER A 130 -19.589 46.075 -36.106 1.00 49.21 C ATOM 1836 O SER A 130 -18.640 45.478 -35.612 1.00 49.85 O ATOM 1837 CB SER A 130 -21.939 46.337 -35.196 1.00 50.44 C ATOM 1838 OG SER A 130 -21.338 46.764 -33.981 1.00 49.99 O ATOM 1839 HA SER A 130 -21.390 45.459 -37.078 1.00 0.00 H ATOM 1840 HB2 SER A 130 -22.825 45.748 -34.959 1.00 0.00 H ATOM 1841 HB3 SER A 130 -22.232 47.217 -35.768 1.00 0.00 H ATOM 1842 HG SER A 130 -21.986 47.309 -33.467 1.00 0.00 H ATOM 1843 H SER A 130 -21.171 43.920 -34.580 1.00 0.00 H ATOM 1844 N SER A 131 -19.442 47.234 -36.730 1.00 52.98 N ATOM 1845 CA SER A 131 -18.177 47.976 -36.683 1.00 54.76 C ATOM 1846 C SER A 131 -17.916 48.538 -35.278 1.00 55.89 C ATOM 1847 O SER A 131 -17.128 49.467 -35.092 1.00 57.93 O ATOM 1848 CB SER A 131 -18.193 49.103 -37.713 1.00 57.64 C ATOM 1849 OG SER A 131 -18.654 48.613 -38.961 1.00 57.99 O ATOM 1850 HA SER A 131 -17.368 47.287 -36.923 1.00 0.00 H ATOM 1851 HB2 SER A 131 -17.184 49.499 -37.831 1.00 0.00 H ATOM 1852 HB3 SER A 131 -18.856 49.897 -37.369 1.00 0.00 H ATOM 1853 HG SER A 131 -18.661 49.350 -39.622 1.00 0.00 H ATOM 1854 H SER A 131 -20.242 47.627 -37.266 1.00 0.00 H TER 1855 SER A 131 HETATM 1856 O HOH 1 -20.666 15.238 -20.716 1.00 63.96 O HETATM 1857 O HOH 2 -22.374 24.380 -25.305 1.00 50.08 O HETATM 1858 O HOH 3 -11.743 28.493 -45.041 1.00 38.22 O HETATM 1859 O HOH 4 -27.702 31.630 -32.042 1.00 53.77 O HETATM 1860 O HOH 5 -9.875 26.771 -45.617 1.00 39.89 O HETATM 1861 O HOH 6 -6.638 18.408 -25.325 1.00 51.24 O HETATM 1862 O HOH 7 -10.550 27.704 -27.527 1.00 33.38 O HETATM 1863 O HOH 8 -25.160 15.598 -38.047 1.00 44.33 O HETATM 1864 O HOH 9 -26.405 32.370 -28.215 1.00 41.48 O HETATM 1865 O HOH 10 -14.467 12.467 -29.148 1.00 46.45 O HETATM 1866 O HOH 11 -10.032 40.662 -29.390 1.00 48.13 O HETATM 1867 O HOH 12 -13.614 33.144 -23.325 1.00 45.16 O HETATM 1868 O HOH 13 -5.487 21.989 -28.077 1.00 42.58 O HETATM 1869 O HOH 14 -5.804 41.947 -41.439 1.00 49.90 O HETATM 1870 O HOH 15 -14.638 22.061 -48.401 1.00 27.98 O HETATM 1871 N1 MTX A 16 -15.602 15.565 -27.817 1.00 -0.27 N HETATM 1872 C2 MTX A 16 -15.569 16.766 -27.148 1.00 0.17 C HETATM 1873 NA2 MTX A 16 -14.445 17.125 -26.515 1.00 -0.31 N HETATM 1874 H1 MTX A 16 -13.637 16.486 -26.497 1.00 0.18 H HETATM 1875 H2 MTX A 16 -14.388 18.040 -26.046 1.00 0.18 H HETATM 1876 N3 MTX A 16 -16.670 17.605 -27.188 1.00 -0.23 N HETATM 1877 C4 MTX A 16 -17.830 17.203 -27.858 1.00 0.15 C HETATM 1878 NA4 MTX A 16 -18.880 18.028 -27.894 1.00 -0.31 N HETATM 1879 H3 MTX A 16 -19.741 17.745 -28.384 1.00 0.19 H HETATM 1880 H4 MTX A 16 -18.829 18.947 -27.432 1.00 0.19 H HETATM 1881 C4A MTX A 16 -17.865 15.967 -28.520 1.00 0.13 C HETATM 1882 N5 MTX A 16 -18.997 15.537 -29.199 1.00 -0.26 N HETATM 1883 C6 MTX A 16 -19.015 14.304 -29.807 1.00 0.08 C HETATM 1884 C7 MTX A 16 -17.870 13.503 -29.770 1.00 0.05 C HETATM 1885 N8 MTX A 16 -16.738 13.931 -29.101 1.00 -0.26 N HETATM 1886 C8A MTX A 16 -16.744 15.149 -28.467 1.00 0.12 C HETATM 1887 H5 MTX A 16 -17.869 12.540 -30.269 1.00 0.10 H HETATM 1888 C9 MTX A 16 -20.258 13.838 -30.545 1.00 0.08 C HETATM 1889 N10 MTX A 16 -19.984 12.662 -31.351 1.00 -0.29 N HETATM 1890 CM MTX A 16 -19.414 12.883 -32.686 1.00 0.02 C HETATM 1891 H8 MTX A 16 -19.258 11.914 -33.183 1.00 0.05 H HETATM 1892 H9 MTX A 16 -18.451 13.406 -32.592 1.00 0.05 H HETATM 1893 H10 MTX A 16 -20.106 13.495 -33.284 1.00 0.05 H HETATM 1894 C14 MTX A 16 -20.876 11.555 -31.286 1.00 0.05 C HETATM 1895 C13 MTX A 16 -20.854 10.642 -32.352 1.00 -0.04 C HETATM 1896 C12 MTX A 16 -21.712 9.553 -32.351 1.00 -0.05 C HETATM 1897 C11 MTX A 16 -22.607 9.381 -31.299 1.00 0.04 C HETATM 1898 C16 MTX A 16 -22.445 10.140 -30.138 1.00 -0.05 C HETATM 1899 C15 MTX A 16 -21.779 11.365 -30.229 1.00 -0.04 C HETATM 1900 H13 MTX A 16 -21.956 12.149 -29.501 1.00 0.05 H HETATM 1901 H14 MTX A 16 -22.828 9.787 -29.187 1.00 0.06 H HETATM 1902 C MTX A 16 -23.535 8.199 -31.343 1.00 0.20 C HETATM 1903 O MTX A 16 -24.389 7.985 -32.452 1.00 -0.39 O HETATM 1904 N MTX A 16 -23.503 7.344 -30.347 1.00 -0.27 N HETATM 1905 CA MTX A 16 -22.889 6.059 -30.593 1.00 0.10 C HETATM 1906 CT MTX A 16 -22.278 5.564 -29.320 1.00 0.06 C HETATM 1907 O1 MTX A 16 -21.541 6.320 -28.641 1.00 -0.57 O HETATM 1908 O2 MTX A 16 -22.535 4.401 -28.933 1.00 -0.57 O HETATM 1909 CB MTX A 16 -21.928 6.118 -31.798 1.00 -0.01 C HETATM 1910 CG MTX A 16 -20.424 6.068 -31.529 1.00 0.00 C HETATM 1911 CD MTX A 16 -19.993 4.745 -30.926 1.00 0.04 C HETATM 1912 OE1 MTX A 16 -19.327 4.734 -29.863 1.00 -0.57 O HETATM 1913 OE2 MTX A 16 -20.301 3.647 -31.454 1.00 -0.57 O HETATM 1914 H19 MTX A 16 -20.162 6.877 -30.831 1.00 0.04 H HETATM 1915 H20 MTX A 16 -19.889 6.215 -32.479 1.00 0.04 H HETATM 1916 H17 MTX A 16 -22.132 7.058 -32.332 1.00 0.03 H HETATM 1917 H18 MTX A 16 -22.171 5.266 -32.450 1.00 0.03 H HETATM 1918 H16 MTX A 16 -23.687 5.352 -30.863 1.00 0.07 H HETATM 1919 H15 MTX A 16 -23.888 7.573 -29.453 1.00 0.19 H HETATM 1920 H11 MTX A 16 -21.686 8.839 -33.166 1.00 0.06 H HETATM 1921 H12 MTX A 16 -20.166 10.789 -33.176 1.00 0.05 H HETATM 1922 H6 MTX A 16 -20.610 14.648 -31.201 1.00 0.07 H HETATM 1923 H7 MTX A 16 -21.040 13.595 -29.811 1.00 0.07 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 283 282 1453 CONECT 1453 283 1452 CONECT 1871 1872 1886 CONECT 1872 1871 1873 1876 CONECT 1873 1872 1874 1875 CONECT 1874 1873 CONECT 1875 1873 CONECT 1876 1872 1877 CONECT 1877 1876 1878 1881 CONECT 1878 1877 1879 1880 CONECT 1879 1878 CONECT 1880 1878 CONECT 1881 1877 1882 1886 CONECT 1882 1881 1883 CONECT 1883 1882 1884 1888 CONECT 1884 1883 1885 1887 CONECT 1885 1884 1886 CONECT 1886 1871 1881 1885 CONECT 1887 1884 CONECT 1888 1883 1889 1922 1923 CONECT 1889 1888 1890 1894 CONECT 1890 1889 1891 1892 1893 CONECT 1891 1890 CONECT 1892 1890 CONECT 1893 1890 CONECT 1894 1889 1895 1899 CONECT 1895 1894 1896 1921 CONECT 1896 1895 1897 1920 CONECT 1897 1896 1898 1902 CONECT 1898 1897 1899 1901 CONECT 1899 1894 1898 1900 CONECT 1900 1899 CONECT 1901 1898 CONECT 1902 1897 1903 1904 CONECT 1903 1902 CONECT 1904 1902 1905 1919 CONECT 1905 1904 1906 1909 1918 CONECT 1906 1905 1907 1908 CONECT 1907 1906 CONECT 1908 1906 CONECT 1909 1905 1910 1916 1917 CONECT 1910 1909 1911 1914 1915 CONECT 1911 1910 1912 1913 CONECT 1912 1911 CONECT 1913 1911 CONECT 1914 1910 CONECT 1915 1910 CONECT 1916 1909 CONECT 1917 1909 CONECT 1918 1905 CONECT 1919 1904 CONECT 1920 1896 CONECT 1921 1895 CONECT 1922 1888 CONECT 1923 1888 MASTER 0 0 0 0 0 0 0 0 1922 1 59 10 END
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Structure:
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Related entries of code: 3qxv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3qxt
RCSB PDB
PDBbind
126aa, >3QXT_1|Chains... *
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
3qxt
RCSB PDB
PDBbind
MTX
4kn0
RCSB PDB
PDBbind
MTX
5j7w
RCSB PDB
PDBbind
MTX
Entry Information
PDB ID
3qxv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Anti-Methotrexate CDR1-4 Graft VHH
Ligand Name
MTX
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=4nM
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
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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
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times since Nov 2007.
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