Browse entries in the PDBbind-CN Database
HEADER 5HZX_COMPLEX COMPND 5HZX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 THR SER LYS LEU LEU THR LEU VAL LEU VAL VAL GLN PRO SEQRES 2 A 154 GLY ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE GLY SEQRES 3 A 154 ALA GLY LYS TRP ASN GLY PHE GLY GLY LYS VAL GLN THR SEQRES 4 A 154 GLY GLU THR ILE GLU GLN ALA ALA ARG ARG GLU LEU LEU SEQRES 5 A 154 GLU GLU SER GLY LEU THR VAL ASP THR LEU HIS LYS ILE SEQRES 6 A 154 GLY ASN ILE LYS PHE GLU PHE ILE GLY GLU THR GLU LEU SEQRES 7 A 154 MET ASP VAL HIS ILE PHE ARG ALA ASP ASN TYR GLU GLY SEQRES 8 A 154 GLU PRO ALA GLU SER ASP GLU MET ARG PRO GLN TRP PHE SEQRES 9 A 154 ASP ILE ASP LYS ILE PRO PHE SER GLN MET TRP ALA ASP SEQRES 10 A 154 ASP ILE LEU TRP PHE PRO LEU MET LEU GLN LYS LYS ARG SEQRES 11 A 154 PHE LEU GLY TYR PHE LYS PHE GLN GLY HIS ASP VAL ILE SEQRES 12 A 154 VAL GLU HIS LYS LEU ASP GLU VAL GLU ASP LEU HET UNN A 304 29 ATOM 1 N THR A 3 -3.847 19.428 -17.218 1.00 52.53 N ATOM 2 CA THR A 3 -4.666 19.766 -18.429 1.00 51.88 C ATOM 3 C THR A 3 -5.794 18.751 -18.634 1.00 48.41 C ATOM 4 O THR A 3 -5.621 17.564 -18.333 1.00 44.76 O ATOM 5 CB THR A 3 -3.821 19.843 -19.729 1.00 53.74 C ATOM 6 OG1 THR A 3 -4.667 20.221 -20.825 1.00 57.97 O ATOM 7 CG2 THR A 3 -3.141 18.498 -20.071 1.00 52.12 C ATOM 8 HG1 THR A 3 -4.129 20.270 -21.654 1.00 0.00 H ATOM 9 HN3 THR A 3 -3.428 18.484 -17.337 1.00 0.00 H ATOM 10 HN2 THR A 3 -4.457 19.434 -16.376 1.00 0.00 H ATOM 11 HN1 THR A 3 -3.091 20.133 -17.105 1.00 0.00 H ATOM 12 N SER A 4 -6.937 19.235 -19.125 1.00 43.07 N ATOM 13 CA SER A 4 -8.043 18.377 -19.538 1.00 40.79 C ATOM 14 C SER A 4 -8.475 18.763 -20.948 1.00 37.46 C ATOM 15 O SER A 4 -8.511 19.938 -21.293 1.00 36.78 O ATOM 16 CB SER A 4 -9.226 18.488 -18.565 1.00 41.99 C ATOM 17 OG SER A 4 -10.219 19.387 -19.046 1.00 45.81 O ATOM 18 HG SER A 4 -10.964 19.433 -18.395 1.00 0.00 H ATOM 19 H SER A 4 -7.044 20.265 -19.217 1.00 0.00 H ATOM 20 N LYS A 5 -8.761 17.764 -21.771 1.00 34.09 N ATOM 21 CA LYS A 5 -9.379 17.996 -23.079 1.00 31.63 C ATOM 22 C LYS A 5 -10.896 17.906 -22.930 1.00 26.67 C ATOM 23 O LYS A 5 -11.394 16.931 -22.382 1.00 24.40 O ATOM 24 CB LYS A 5 -8.885 16.959 -24.083 1.00 34.55 C ATOM 25 CG LYS A 5 -9.597 17.021 -25.430 1.00 38.17 C ATOM 26 CD LYS A 5 -8.984 16.061 -26.437 1.00 39.69 C ATOM 27 CE LYS A 5 -8.001 16.769 -27.345 1.00 41.63 C ATOM 28 NZ LYS A 5 -7.140 15.792 -28.071 1.00 44.36 N ATOM 29 HZ1 LYS A 5 -6.607 15.223 -27.383 1.00 0.00 H ATOM 30 HZ2 LYS A 5 -7.738 15.168 -28.650 1.00 0.00 H ATOM 31 HZ3 LYS A 5 -6.477 16.306 -28.685 1.00 0.00 H ATOM 32 H LYS A 5 -8.541 16.790 -21.481 1.00 0.00 H ATOM 33 N LEU A 6 -11.613 18.917 -23.415 1.00 22.78 N ATOM 34 CA LEU A 6 -13.066 18.988 -23.276 1.00 20.85 C ATOM 35 C LEU A 6 -13.756 18.257 -24.425 1.00 18.37 C ATOM 36 O LEU A 6 -13.559 18.601 -25.597 1.00 17.80 O ATOM 37 CB LEU A 6 -13.510 20.453 -23.254 1.00 21.84 C ATOM 38 CG LEU A 6 -14.774 20.842 -22.494 1.00 21.64 C ATOM 39 CD1 LEU A 6 -14.665 20.505 -21.011 1.00 22.30 C ATOM 40 CD2 LEU A 6 -14.970 22.333 -22.668 1.00 21.52 C ATOM 41 H LEU A 6 -11.120 19.686 -23.912 1.00 0.00 H ATOM 42 N LEU A 7 -14.586 17.275 -24.083 1.00 16.04 N ATOM 43 CA LEU A 7 -15.238 16.428 -25.065 1.00 14.54 C ATOM 44 C LEU A 7 -16.722 16.290 -24.779 1.00 13.22 C ATOM 45 O LEU A 7 -17.146 16.390 -23.616 1.00 12.88 O ATOM 46 CB LEU A 7 -14.602 15.045 -25.064 1.00 15.24 C ATOM 47 CG LEU A 7 -13.109 15.027 -25.384 1.00 16.09 C ATOM 48 CD1 LEU A 7 -12.456 13.809 -24.766 1.00 17.06 C ATOM 49 CD2 LEU A 7 -12.867 15.089 -26.882 1.00 16.11 C ATOM 50 H LEU A 7 -14.775 17.108 -23.074 1.00 0.00 H ATOM 51 N THR A 8 -17.501 16.072 -25.836 1.00 12.41 N ATOM 52 CA THR A 8 -18.954 15.918 -25.721 1.00 12.14 C ATOM 53 C THR A 8 -19.390 14.544 -26.281 1.00 11.73 C ATOM 54 O THR A 8 -18.732 13.983 -27.161 1.00 11.64 O ATOM 55 CB THR A 8 -19.706 17.143 -26.301 1.00 12.33 C ATOM 56 OG1 THR A 8 -21.037 17.192 -25.769 1.00 12.42 O ATOM 57 CG2 THR A 8 -19.757 17.131 -27.795 1.00 12.42 C ATOM 58 HG1 THR A 8 -21.512 17.976 -26.143 1.00 0.00 H ATOM 59 H THR A 8 -17.063 16.009 -26.777 1.00 0.00 H ATOM 60 N LEU A 9 -20.452 13.981 -25.714 1.00 11.45 N ATOM 61 CA LEU A 9 -20.995 12.678 -26.133 1.00 11.21 C ATOM 62 C LEU A 9 -22.532 12.702 -26.064 1.00 10.70 C ATOM 63 O LEU A 9 -23.098 13.076 -25.042 1.00 10.41 O ATOM 64 CB LEU A 9 -20.437 11.556 -25.247 1.00 11.27 C ATOM 65 CG LEU A 9 -20.827 10.122 -25.622 1.00 11.67 C ATOM 66 CD1 LEU A 9 -20.230 9.726 -26.962 1.00 11.78 C ATOM 67 CD2 LEU A 9 -20.386 9.138 -24.552 1.00 12.14 C ATOM 68 H LEU A 9 -20.923 14.486 -24.936 1.00 0.00 H ATOM 69 N VAL A 10 -23.199 12.295 -27.145 1.00 10.32 N ATOM 70 CA VAL A 10 -24.664 12.325 -27.195 1.00 10.38 C ATOM 71 C VAL A 10 -25.244 10.939 -27.408 1.00 10.56 C ATOM 72 O VAL A 10 -24.853 10.252 -28.343 1.00 10.82 O ATOM 73 CB VAL A 10 -25.190 13.257 -28.308 1.00 10.21 C ATOM 74 CG1 VAL A 10 -26.715 13.299 -28.312 1.00 10.27 C ATOM 75 CG2 VAL A 10 -24.638 14.662 -28.130 1.00 10.23 C ATOM 76 H VAL A 10 -22.669 11.949 -27.970 1.00 0.00 H ATOM 77 N LEU A 11 -26.187 10.555 -26.545 1.00 11.17 N ATOM 78 CA LEU A 11 -26.913 9.295 -26.657 1.00 11.93 C ATOM 79 C LEU A 11 -28.365 9.593 -27.028 1.00 12.13 C ATOM 80 O LEU A 11 -29.120 10.136 -26.234 1.00 12.41 O ATOM 81 CB LEU A 11 -26.836 8.464 -25.352 1.00 12.21 C ATOM 82 CG LEU A 11 -25.554 7.646 -25.079 1.00 12.60 C ATOM 83 CD1 LEU A 11 -25.204 6.726 -26.235 1.00 12.55 C ATOM 84 CD2 LEU A 11 -24.372 8.552 -24.793 1.00 13.32 C ATOM 85 H LEU A 11 -26.416 11.187 -25.751 1.00 0.00 H ATOM 86 N VAL A 12 -28.734 9.232 -28.249 1.00 13.20 N ATOM 87 CA VAL A 12 -30.110 9.406 -28.738 1.00 14.35 C ATOM 88 C VAL A 12 -30.868 8.154 -28.330 1.00 14.98 C ATOM 89 O VAL A 12 -30.439 7.031 -28.659 1.00 14.12 O ATOM 90 CB VAL A 12 -30.162 9.549 -30.261 1.00 14.27 C ATOM 91 CG1 VAL A 12 -31.605 9.706 -30.731 1.00 14.87 C ATOM 92 CG2 VAL A 12 -29.324 10.726 -30.703 1.00 14.73 C ATOM 93 H VAL A 12 -28.026 8.811 -28.883 1.00 0.00 H ATOM 94 N VAL A 13 -31.956 8.337 -27.590 1.00 15.77 N ATOM 95 CA VAL A 13 -32.677 7.222 -26.997 1.00 17.08 C ATOM 96 C VAL A 13 -34.133 7.277 -27.412 1.00 17.66 C ATOM 97 O VAL A 13 -34.714 8.358 -27.601 1.00 17.59 O ATOM 98 CB VAL A 13 -32.567 7.193 -25.474 1.00 17.90 C ATOM 99 CG1 VAL A 13 -31.105 7.149 -25.040 1.00 17.90 C ATOM 100 CG2 VAL A 13 -33.250 8.405 -24.880 1.00 19.76 C ATOM 101 H VAL A 13 -32.302 9.305 -27.430 1.00 0.00 H ATOM 102 N GLN A 14 -34.701 6.096 -27.606 1.00 17.33 N ATOM 103 CA GLN A 14 -36.145 5.948 -27.761 1.00 17.24 C ATOM 104 C GLN A 14 -36.577 4.832 -26.811 1.00 16.38 C ATOM 105 O GLN A 14 -35.733 4.123 -26.267 1.00 15.87 O ATOM 106 CB GLN A 14 -36.513 5.654 -29.218 1.00 17.93 C ATOM 107 CG GLN A 14 -36.273 6.821 -30.179 1.00 18.70 C ATOM 108 CD GLN A 14 -37.327 7.915 -30.052 1.00 19.52 C ATOM 109 OE1 GLN A 14 -38.415 7.800 -30.607 1.00 20.32 O ATOM 110 NE2 GLN A 14 -37.009 8.983 -29.314 1.00 20.21 N ATOM 111 HE22 GLN A 14 -36.075 9.042 -28.860 1.00 0.00 H ATOM 112 HE21 GLN A 14 -37.695 9.755 -29.194 1.00 0.00 H ATOM 113 H GLN A 14 -34.100 5.248 -27.649 1.00 0.00 H ATOM 114 N PRO A 15 -37.885 4.698 -26.558 1.00 16.08 N ATOM 115 CA PRO A 15 -38.263 3.628 -25.645 1.00 16.21 C ATOM 116 C PRO A 15 -37.695 2.264 -26.106 1.00 15.84 C ATOM 117 O PRO A 15 -37.889 1.865 -27.245 1.00 15.95 O ATOM 118 CB PRO A 15 -39.800 3.670 -25.673 1.00 16.45 C ATOM 119 CG PRO A 15 -40.118 5.097 -26.016 1.00 16.21 C ATOM 120 CD PRO A 15 -39.038 5.514 -26.980 1.00 16.09 C ATOM 121 N GLY A 16 -36.951 1.605 -25.228 1.00 15.48 N ATOM 122 CA GLY A 16 -36.361 0.309 -25.510 1.00 15.25 C ATOM 123 C GLY A 16 -35.110 0.256 -26.373 1.00 16.06 C ATOM 124 O GLY A 16 -34.600 -0.835 -26.631 1.00 15.56 O ATOM 125 H GLY A 16 -36.783 2.036 -24.296 1.00 0.00 H ATOM 126 N ARG A 17 -34.628 1.395 -26.875 1.00 16.65 N ATOM 127 CA ARG A 17 -33.508 1.373 -27.818 1.00 17.77 C ATOM 128 C ARG A 17 -32.606 2.610 -27.769 1.00 16.14 C ATOM 129 O ARG A 17 -33.017 3.687 -27.334 1.00 15.47 O ATOM 130 CB ARG A 17 -33.988 1.104 -29.258 1.00 20.54 C ATOM 131 CG ARG A 17 -35.019 2.073 -29.795 1.00 24.32 C ATOM 132 CD ARG A 17 -35.464 1.706 -31.216 1.00 28.56 C ATOM 133 NE ARG A 17 -36.244 2.799 -31.820 1.00 32.85 N ATOM 134 CZ ARG A 17 -36.321 3.083 -33.128 1.00 35.22 C ATOM 135 NH1 ARG A 17 -35.680 2.365 -34.046 1.00 36.34 N ATOM 136 NH2 ARG A 17 -37.049 4.115 -33.528 1.00 37.50 N ATOM 137 HE ARG A 17 -36.785 3.407 -31.172 1.00 0.00 H ATOM 138 HH12 ARG A 17 -35.763 2.614 -35.052 1.00 0.00 H ATOM 139 HH11 ARG A 17 -35.096 1.554 -33.758 1.00 0.00 H ATOM 140 HH22 ARG A 17 -37.115 4.344 -34.540 1.00 0.00 H ATOM 141 HH21 ARG A 17 -37.554 4.697 -32.830 1.00 0.00 H ATOM 142 H ARG A 17 -35.050 2.303 -26.595 1.00 0.00 H ATOM 143 N VAL A 18 -31.369 2.413 -28.205 1.00 14.51 N ATOM 144 CA VAL A 18 -30.370 3.472 -28.239 1.00 14.10 C ATOM 145 C VAL A 18 -29.653 3.454 -29.598 1.00 13.05 C ATOM 146 O VAL A 18 -29.363 2.383 -30.151 1.00 12.86 O ATOM 147 CB VAL A 18 -29.370 3.344 -27.050 1.00 14.11 C ATOM 148 CG1 VAL A 18 -28.659 1.991 -27.056 1.00 14.93 C ATOM 149 CG2 VAL A 18 -28.340 4.460 -27.085 1.00 13.64 C ATOM 150 H VAL A 18 -31.102 1.464 -28.536 1.00 0.00 H ATOM 151 N LEU A 19 -29.411 4.643 -30.144 1.00 12.21 N ATOM 152 CA LEU A 19 -28.664 4.812 -31.383 1.00 11.89 C ATOM 153 C LEU A 19 -27.163 4.942 -31.099 1.00 11.63 C ATOM 154 O LEU A 19 -26.737 5.817 -30.337 1.00 11.42 O ATOM 155 CB LEU A 19 -29.122 6.072 -32.125 1.00 12.22 C ATOM 156 CG LEU A 19 -28.528 6.246 -33.518 1.00 12.27 C ATOM 157 CD1 LEU A 19 -29.078 5.192 -34.461 1.00 12.55 C ATOM 158 CD2 LEU A 19 -28.795 7.637 -34.055 1.00 12.50 C ATOM 159 H LEU A 19 -29.772 5.492 -29.663 1.00 0.00 H ATOM 160 N LEU A 20 -26.379 4.058 -31.703 1.00 10.57 N ATOM 161 CA LEU A 20 -24.930 4.106 -31.583 1.00 10.77 C ATOM 162 C LEU A 20 -24.342 4.242 -32.964 1.00 10.85 C ATOM 163 O LEU A 20 -25.020 4.020 -33.961 1.00 11.19 O ATOM 164 CB LEU A 20 -24.388 2.850 -30.886 1.00 10.58 C ATOM 165 CG LEU A 20 -24.886 2.590 -29.462 1.00 10.27 C ATOM 166 CD1 LEU A 20 -24.363 1.240 -28.984 1.00 10.47 C ATOM 167 CD2 LEU A 20 -24.496 3.691 -28.497 1.00 10.12 C ATOM 168 H LEU A 20 -26.813 3.309 -32.279 1.00 0.00 H ATOM 169 N GLY A 21 -23.078 4.633 -33.013 1.00 11.23 N ATOM 170 CA GLY A 21 -22.343 4.746 -34.254 1.00 11.19 C ATOM 171 C GLY A 21 -21.032 3.997 -34.182 1.00 11.69 C ATOM 172 O GLY A 21 -20.326 4.085 -33.181 1.00 11.22 O ATOM 173 H GLY A 21 -22.594 4.868 -32.123 1.00 0.00 H ATOM 174 N MET A 22 -20.709 3.263 -35.257 1.00 12.12 N ATOM 175 CA MET A 22 -19.410 2.619 -35.409 1.00 12.70 C ATOM 176 C MET A 22 -18.429 3.639 -35.956 1.00 13.26 C ATOM 177 O MET A 22 -18.614 4.167 -37.070 1.00 13.87 O ATOM 178 CB MET A 22 -19.500 1.414 -36.354 1.00 13.34 C ATOM 179 CG MET A 22 -18.167 0.789 -36.776 1.00 13.28 C ATOM 180 SD MET A 22 -17.138 0.295 -35.379 1.00 13.43 S ATOM 181 CE MET A 22 -18.183 -0.917 -34.576 1.00 13.71 C ATOM 182 H MET A 22 -21.414 3.149 -36.013 1.00 0.00 H ATOM 183 N LYS A 23 -17.391 3.920 -35.175 1.00 13.01 N ATOM 184 CA LYS A 23 -16.423 4.940 -35.535 1.00 13.16 C ATOM 185 C LYS A 23 -15.465 4.362 -36.576 1.00 13.26 C ATOM 186 O LYS A 23 -14.905 3.277 -36.393 1.00 12.53 O ATOM 187 CB LYS A 23 -15.690 5.454 -34.303 1.00 13.02 C ATOM 188 CG LYS A 23 -14.894 6.722 -34.569 1.00 13.37 C ATOM 189 CD LYS A 23 -14.525 7.455 -33.300 1.00 14.34 C ATOM 190 CE LYS A 23 -13.763 8.738 -33.615 1.00 14.69 C ATOM 191 NZ LYS A 23 -13.297 9.415 -32.380 1.00 15.67 N ATOM 192 HZ1 LYS A 23 -14.117 9.657 -31.788 1.00 0.00 H ATOM 193 HZ2 LYS A 23 -12.665 8.778 -31.854 1.00 0.00 H ATOM 194 HZ3 LYS A 23 -12.783 10.283 -32.635 1.00 0.00 H ATOM 195 H LYS A 23 -17.269 3.397 -34.285 1.00 0.00 H ATOM 196 N LYS A 24 -15.314 5.074 -37.688 1.00 14.05 N ATOM 197 CA LYS A 24 -14.639 4.514 -38.863 1.00 14.67 C ATOM 198 C LYS A 24 -13.180 4.948 -38.977 1.00 15.34 C ATOM 199 O LYS A 24 -12.461 4.435 -39.813 1.00 16.98 O ATOM 200 CB LYS A 24 -15.413 4.904 -40.128 1.00 14.97 C ATOM 201 CG LYS A 24 -16.783 4.234 -40.237 1.00 14.70 C ATOM 202 CD LYS A 24 -17.752 4.998 -41.136 1.00 14.97 C ATOM 203 CE LYS A 24 -17.240 5.104 -42.569 1.00 14.80 C ATOM 204 NZ LYS A 24 -18.304 5.550 -43.497 1.00 14.63 N ATOM 205 HZ1 LYS A 24 -19.088 4.867 -43.478 1.00 0.00 H ATOM 206 HZ2 LYS A 24 -18.650 6.485 -43.202 1.00 0.00 H ATOM 207 HZ3 LYS A 24 -17.919 5.610 -44.461 1.00 0.00 H ATOM 208 H LYS A 24 -15.681 6.046 -37.725 1.00 0.00 H ATOM 209 N ARG A 25 -12.747 5.886 -38.149 1.00 15.09 N ATOM 210 CA ARG A 25 -11.380 6.409 -38.212 1.00 16.29 C ATOM 211 C ARG A 25 -11.035 7.129 -36.914 1.00 15.87 C ATOM 212 O ARG A 25 -11.910 7.426 -36.101 1.00 15.41 O ATOM 213 CB ARG A 25 -11.229 7.383 -39.397 1.00 17.14 C ATOM 214 CG ARG A 25 -12.013 8.690 -39.239 1.00 17.64 C ATOM 215 CD ARG A 25 -12.122 9.488 -40.536 1.00 18.59 C ATOM 216 NE ARG A 25 -12.980 8.773 -41.472 1.00 19.39 N ATOM 217 CZ ARG A 25 -12.563 8.058 -42.516 1.00 20.33 C ATOM 218 NH1 ARG A 25 -11.268 7.977 -42.839 1.00 19.66 N ATOM 219 NH2 ARG A 25 -13.466 7.425 -43.258 1.00 20.08 N ATOM 220 HE ARG A 25 -14.006 8.825 -41.311 1.00 0.00 H ATOM 221 HH12 ARG A 25 -10.971 7.411 -43.660 1.00 0.00 H ATOM 222 HH11 ARG A 25 -10.558 8.480 -42.270 1.00 0.00 H ATOM 223 HH22 ARG A 25 -13.163 6.861 -44.078 1.00 0.00 H ATOM 224 HH21 ARG A 25 -14.476 7.494 -43.019 1.00 0.00 H ATOM 225 H ARG A 25 -13.398 6.263 -37.431 1.00 0.00 H ATOM 226 N GLY A 26 -9.755 7.403 -36.714 1.00 16.09 N ATOM 227 CA GLY A 26 -9.323 8.231 -35.589 1.00 16.07 C ATOM 228 C GLY A 26 -9.320 7.489 -34.259 1.00 15.65 C ATOM 229 O GLY A 26 -9.203 6.264 -34.212 1.00 15.15 O ATOM 230 H GLY A 26 -9.043 7.022 -37.370 1.00 0.00 H ATOM 231 N PHE A 27 -9.429 8.255 -33.183 1.00 15.27 N ATOM 232 CA PHE A 27 -9.313 7.749 -31.825 1.00 15.73 C ATOM 233 C PHE A 27 -10.572 6.970 -31.442 1.00 15.26 C ATOM 234 O PHE A 27 -11.668 7.537 -31.401 1.00 15.43 O ATOM 235 CB PHE A 27 -9.108 8.930 -30.856 1.00 16.34 C ATOM 236 CG PHE A 27 -8.754 8.517 -29.452 1.00 17.06 C ATOM 237 CD1 PHE A 27 -7.448 8.201 -29.116 1.00 17.73 C ATOM 238 CD2 PHE A 27 -9.714 8.450 -28.478 1.00 17.76 C ATOM 239 CE1 PHE A 27 -7.111 7.822 -27.827 1.00 18.29 C ATOM 240 CE2 PHE A 27 -9.389 8.074 -27.183 1.00 17.77 C ATOM 241 CZ PHE A 27 -8.087 7.764 -26.855 1.00 17.87 C ATOM 242 H PHE A 27 -9.607 9.271 -33.317 1.00 0.00 H ATOM 243 N GLY A 28 -10.408 5.689 -31.137 1.00 14.85 N ATOM 244 CA GLY A 28 -11.519 4.799 -30.837 1.00 14.30 C ATOM 245 C GLY A 28 -12.147 4.164 -32.072 1.00 14.49 C ATOM 246 O GLY A 28 -13.260 3.596 -32.000 1.00 13.78 O ATOM 247 H GLY A 28 -9.442 5.304 -31.111 1.00 0.00 H ATOM 248 N ALA A 29 -11.443 4.229 -33.201 1.00 13.53 N ATOM 249 CA ALA A 29 -11.903 3.581 -34.415 1.00 13.59 C ATOM 250 C ALA A 29 -12.144 2.111 -34.121 1.00 13.13 C ATOM 251 O ALA A 29 -11.327 1.486 -33.460 1.00 12.26 O ATOM 252 CB ALA A 29 -10.877 3.750 -35.525 1.00 13.67 C ATOM 253 H ALA A 29 -10.546 4.755 -33.213 1.00 0.00 H ATOM 254 N GLY A 30 -13.281 1.584 -34.585 1.00 12.65 N ATOM 255 CA GLY A 30 -13.645 0.197 -34.366 1.00 12.63 C ATOM 256 C GLY A 30 -14.559 -0.064 -33.179 1.00 12.72 C ATOM 257 O GLY A 30 -14.981 -1.189 -32.975 1.00 13.16 O ATOM 258 H GLY A 30 -13.930 2.192 -35.124 1.00 0.00 H ATOM 259 N LYS A 31 -14.831 0.955 -32.370 1.00 12.43 N ATOM 260 CA LYS A 31 -15.761 0.852 -31.274 1.00 12.30 C ATOM 261 C LYS A 31 -17.078 1.554 -31.608 1.00 12.01 C ATOM 262 O LYS A 31 -17.096 2.585 -32.288 1.00 11.97 O ATOM 263 CB LYS A 31 -15.173 1.508 -30.027 1.00 13.31 C ATOM 264 CG LYS A 31 -13.927 0.871 -29.440 1.00 13.86 C ATOM 265 CD LYS A 31 -13.357 1.781 -28.362 1.00 14.45 C ATOM 266 CE LYS A 31 -12.359 1.104 -27.429 1.00 15.18 C ATOM 267 NZ LYS A 31 -11.441 0.152 -28.077 1.00 15.72 N ATOM 268 HZ1 LYS A 31 -11.991 -0.608 -28.525 1.00 0.00 H ATOM 269 HZ2 LYS A 31 -10.882 0.649 -28.800 1.00 0.00 H ATOM 270 HZ3 LYS A 31 -10.804 -0.254 -27.363 1.00 0.00 H ATOM 271 H LYS A 31 -14.353 1.864 -32.535 1.00 0.00 H ATOM 272 N TRP A 32 -18.177 0.989 -31.127 1.00 11.46 N ATOM 273 CA TRP A 32 -19.459 1.669 -31.099 1.00 11.05 C ATOM 274 C TRP A 32 -19.449 2.704 -29.993 1.00 10.93 C ATOM 275 O TRP A 32 -18.861 2.469 -28.944 1.00 11.46 O ATOM 276 CB TRP A 32 -20.592 0.682 -30.816 1.00 10.70 C ATOM 277 CG TRP A 32 -20.788 -0.348 -31.857 1.00 10.55 C ATOM 278 CD1 TRP A 32 -20.334 -1.635 -31.830 1.00 10.58 C ATOM 279 CD2 TRP A 32 -21.531 -0.210 -33.070 1.00 10.53 C ATOM 280 NE1 TRP A 32 -20.753 -2.308 -32.947 1.00 10.69 N ATOM 281 CE2 TRP A 32 -21.489 -1.455 -33.727 1.00 10.56 C ATOM 282 CE3 TRP A 32 -22.242 0.840 -33.658 1.00 10.22 C ATOM 283 CZ2 TRP A 32 -22.094 -1.666 -34.962 1.00 10.88 C ATOM 284 CZ3 TRP A 32 -22.867 0.621 -34.892 1.00 10.43 C ATOM 285 CH2 TRP A 32 -22.784 -0.613 -35.529 1.00 10.74 C ATOM 286 HE1 TRP A 32 -20.546 -3.303 -33.167 1.00 0.00 H ATOM 287 H TRP A 32 -18.118 0.020 -30.755 1.00 0.00 H ATOM 288 N ASN A 33 -20.147 3.823 -30.204 1.00 10.85 N ATOM 289 CA ASN A 33 -20.271 4.862 -29.193 1.00 10.50 C ATOM 290 C ASN A 33 -21.432 5.788 -29.560 1.00 10.61 C ATOM 291 O ASN A 33 -22.034 5.668 -30.644 1.00 10.61 O ATOM 292 CB ASN A 33 -18.952 5.659 -29.133 1.00 10.52 C ATOM 293 CG ASN A 33 -18.735 6.399 -27.819 1.00 10.65 C ATOM 294 OD1 ASN A 33 -19.589 6.400 -26.913 1.00 11.03 O ATOM 295 ND2 ASN A 33 -17.573 7.046 -27.707 1.00 10.58 N ATOM 296 HD22 ASN A 33 -16.886 7.020 -28.487 1.00 0.00 H ATOM 297 HD21 ASN A 33 -17.354 7.576 -26.839 1.00 0.00 H ATOM 298 H ASN A 33 -20.618 3.956 -31.122 1.00 0.00 H ATOM 299 N GLY A 34 -21.762 6.711 -28.662 1.00 10.13 N ATOM 300 CA GLY A 34 -22.548 7.867 -29.060 1.00 10.14 C ATOM 301 C GLY A 34 -21.802 8.803 -29.998 1.00 9.93 C ATOM 302 O GLY A 34 -20.664 8.519 -30.421 1.00 9.97 O ATOM 303 H GLY A 34 -21.457 6.606 -27.673 1.00 0.00 H ATOM 304 N PHE A 35 -22.417 9.952 -30.264 1.00 9.90 N ATOM 305 CA PHE A 35 -21.906 10.943 -31.199 1.00 10.17 C ATOM 306 C PHE A 35 -21.319 12.161 -30.465 1.00 10.25 C ATOM 307 O PHE A 35 -21.783 12.552 -29.393 1.00 9.87 O ATOM 308 CB PHE A 35 -23.011 11.340 -32.173 1.00 10.32 C ATOM 309 CG PHE A 35 -23.605 10.166 -32.902 1.00 10.66 C ATOM 310 CD1 PHE A 35 -22.991 9.640 -34.018 1.00 10.79 C ATOM 311 CD2 PHE A 35 -24.771 9.559 -32.437 1.00 10.97 C ATOM 312 CE1 PHE A 35 -23.505 8.530 -34.650 1.00 10.94 C ATOM 313 CE2 PHE A 35 -25.292 8.446 -33.063 1.00 11.00 C ATOM 314 CZ PHE A 35 -24.659 7.934 -34.179 1.00 11.11 C ATOM 315 H PHE A 35 -23.313 10.153 -29.776 1.00 0.00 H ATOM 316 N GLY A 36 -20.250 12.725 -31.012 1.00 10.61 N ATOM 317 CA GLY A 36 -19.569 13.811 -30.317 1.00 10.50 C ATOM 318 C GLY A 36 -18.177 14.115 -30.825 1.00 10.76 C ATOM 319 O GLY A 36 -17.872 13.938 -32.018 1.00 10.56 O ATOM 320 H GLY A 36 -19.899 12.394 -31.933 1.00 0.00 H ATOM 321 N GLY A 37 -17.324 14.564 -29.912 1.00 10.71 N ATOM 322 CA GLY A 37 -15.992 15.045 -30.252 1.00 11.31 C ATOM 323 C GLY A 37 -15.584 16.205 -29.367 1.00 11.54 C ATOM 324 O GLY A 37 -16.092 16.359 -28.245 1.00 11.13 O ATOM 325 H GLY A 37 -17.619 14.573 -28.915 1.00 0.00 H ATOM 326 N LYS A 38 -14.663 17.015 -29.875 1.00 12.40 N ATOM 327 CA LYS A 38 -14.064 18.119 -29.111 1.00 13.25 C ATOM 328 C LYS A 38 -15.000 19.332 -29.030 1.00 12.65 C ATOM 329 O LYS A 38 -15.778 19.590 -29.922 1.00 12.17 O ATOM 330 CB LYS A 38 -12.748 18.578 -29.739 1.00 14.43 C ATOM 331 CG LYS A 38 -11.660 17.508 -29.819 1.00 16.17 C ATOM 332 CD LYS A 38 -10.326 18.082 -30.311 1.00 18.25 C ATOM 333 CE LYS A 38 -9.329 16.988 -30.664 1.00 19.60 C ATOM 334 NZ LYS A 38 -8.412 17.448 -31.744 1.00 20.28 N ATOM 335 HZ1 LYS A 38 -8.967 17.686 -32.590 1.00 0.00 H ATOM 336 HZ2 LYS A 38 -7.892 18.289 -31.421 1.00 0.00 H ATOM 337 HZ3 LYS A 38 -7.739 16.689 -31.972 1.00 0.00 H ATOM 338 H LYS A 38 -14.352 16.862 -30.856 1.00 0.00 H ATOM 339 N VAL A 39 -14.895 20.069 -27.937 1.00 13.18 N ATOM 340 CA VAL A 39 -15.526 21.389 -27.784 1.00 13.34 C ATOM 341 C VAL A 39 -14.471 22.446 -28.149 1.00 13.46 C ATOM 342 O VAL A 39 -13.386 22.461 -27.572 1.00 14.12 O ATOM 343 CB VAL A 39 -15.979 21.611 -26.316 1.00 13.66 C ATOM 344 CG1 VAL A 39 -16.668 22.970 -26.131 1.00 14.09 C ATOM 345 CG2 VAL A 39 -16.887 20.494 -25.846 1.00 13.68 C ATOM 346 H VAL A 39 -14.336 19.695 -27.143 1.00 0.00 H ATOM 347 N GLN A 40 -14.777 23.340 -29.082 1.00 13.73 N ATOM 348 CA GLN A 40 -13.841 24.407 -29.465 1.00 13.85 C ATOM 349 C GLN A 40 -13.863 25.601 -28.488 1.00 13.58 C ATOM 350 O GLN A 40 -14.872 25.881 -27.833 1.00 12.88 O ATOM 351 CB GLN A 40 -14.168 24.959 -30.856 1.00 14.59 C ATOM 352 CG GLN A 40 -14.216 23.938 -31.984 1.00 15.76 C ATOM 353 CD GLN A 40 -12.879 23.289 -32.268 1.00 16.68 C ATOM 354 OE1 GLN A 40 -11.834 23.922 -32.165 1.00 17.39 O ATOM 355 NE2 GLN A 40 -12.905 22.018 -32.607 1.00 17.68 N ATOM 356 HE22 GLN A 40 -13.814 21.519 -32.683 1.00 0.00 H ATOM 357 HE21 GLN A 40 -12.016 21.513 -32.799 1.00 0.00 H ATOM 358 H GLN A 40 -15.702 23.284 -29.554 1.00 0.00 H ATOM 359 N THR A 41 -12.735 26.295 -28.381 1.00 13.74 N ATOM 360 CA THR A 41 -12.653 27.494 -27.555 1.00 14.20 C ATOM 361 C THR A 41 -13.624 28.586 -28.066 1.00 13.87 C ATOM 362 O THR A 41 -13.611 28.920 -29.241 1.00 14.22 O ATOM 363 CB THR A 41 -11.203 28.004 -27.475 1.00 14.60 C ATOM 364 OG1 THR A 41 -10.666 28.205 -28.794 1.00 15.48 O ATOM 365 CG2 THR A 41 -10.355 26.993 -26.734 1.00 14.71 C ATOM 366 HG1 THR A 41 -11.216 28.873 -29.275 1.00 0.00 H ATOM 367 H THR A 41 -11.891 25.976 -28.898 1.00 0.00 H ATOM 368 N GLY A 42 -14.454 29.123 -27.171 1.00 13.10 N ATOM 369 CA GLY A 42 -15.448 30.133 -27.498 1.00 13.53 C ATOM 370 C GLY A 42 -16.886 29.638 -27.668 1.00 13.33 C ATOM 371 O GLY A 42 -17.815 30.456 -27.765 1.00 13.02 O ATOM 372 H GLY A 42 -14.387 28.802 -26.184 1.00 0.00 H ATOM 373 N GLU A 43 -17.082 28.320 -27.705 1.00 13.22 N ATOM 374 CA GLU A 43 -18.428 27.754 -27.755 1.00 13.38 C ATOM 375 C GLU A 43 -18.744 26.950 -26.491 1.00 13.53 C ATOM 376 O GLU A 43 -17.840 26.499 -25.777 1.00 13.23 O ATOM 377 CB GLU A 43 -18.595 26.856 -28.993 1.00 13.67 C ATOM 378 CG GLU A 43 -18.045 25.444 -28.829 1.00 13.80 C ATOM 379 CD GLU A 43 -18.092 24.609 -30.098 1.00 14.37 C ATOM 380 OE1 GLU A 43 -18.911 24.913 -30.981 1.00 16.02 O ATOM 381 OE2 GLU A 43 -17.296 23.662 -30.233 1.00 13.42 O ATOM 382 H GLU A 43 -16.261 27.682 -27.698 1.00 0.00 H ATOM 383 N THR A 44 -20.028 26.733 -26.238 1.00 13.77 N ATOM 384 CA THR A 44 -20.436 25.905 -25.103 1.00 14.68 C ATOM 385 C THR A 44 -20.361 24.418 -25.426 1.00 15.16 C ATOM 386 O THR A 44 -20.372 23.992 -26.588 1.00 14.43 O ATOM 387 CB THR A 44 -21.862 26.225 -24.638 1.00 15.07 C ATOM 388 OG1 THR A 44 -22.801 25.797 -25.632 1.00 15.27 O ATOM 389 CG2 THR A 44 -22.023 27.743 -24.403 1.00 14.93 C ATOM 390 HG1 THR A 44 -23.720 26.005 -25.328 1.00 0.00 H ATOM 391 H THR A 44 -20.752 27.156 -26.853 1.00 0.00 H ATOM 392 N ILE A 45 -20.308 23.627 -24.371 1.00 15.58 N ATOM 393 CA ILE A 45 -20.300 22.178 -24.518 1.00 16.42 C ATOM 394 C ILE A 45 -21.543 21.729 -25.304 1.00 16.48 C ATOM 395 O ILE A 45 -21.448 20.888 -26.214 1.00 14.94 O ATOM 396 CB ILE A 45 -20.220 21.500 -23.141 1.00 16.75 C ATOM 397 CG1 ILE A 45 -18.895 21.854 -22.454 1.00 17.56 C ATOM 398 CG2 ILE A 45 -20.294 19.992 -23.279 1.00 17.22 C ATOM 399 CD1 ILE A 45 -18.890 21.639 -20.943 1.00 17.72 C ATOM 400 H ILE A 45 -20.271 24.045 -23.419 1.00 0.00 H ATOM 401 N GLU A 46 -22.699 22.316 -24.983 1.00 16.38 N ATOM 402 CA GLU A 46 -23.935 21.953 -25.669 1.00 17.13 C ATOM 403 C GLU A 46 -23.907 22.314 -27.166 1.00 15.92 C ATOM 404 O GLU A 46 -24.417 21.580 -28.009 1.00 14.68 O ATOM 405 CB GLU A 46 -25.154 22.576 -24.962 1.00 20.65 C ATOM 406 CG GLU A 46 -26.477 21.977 -25.399 1.00 24.38 C ATOM 407 CD GLU A 46 -27.690 22.513 -24.642 1.00 28.36 C ATOM 408 OE1 GLU A 46 -27.571 22.813 -23.429 1.00 30.95 O ATOM 409 OE2 GLU A 46 -28.776 22.610 -25.269 1.00 31.37 O ATOM 410 H GLU A 46 -22.719 23.040 -24.236 1.00 0.00 H ATOM 411 N GLN A 47 -23.315 23.452 -27.507 1.00 15.13 N ATOM 412 CA GLN A 47 -23.263 23.874 -28.923 1.00 14.54 C ATOM 413 C GLN A 47 -22.454 22.877 -29.778 1.00 13.03 C ATOM 414 O GLN A 47 -22.839 22.529 -30.894 1.00 12.08 O ATOM 415 CB GLN A 47 -22.693 25.301 -29.020 1.00 14.56 C ATOM 416 CG GLN A 47 -23.679 26.345 -28.516 1.00 15.18 C ATOM 417 CD GLN A 47 -23.065 27.704 -28.138 1.00 15.19 C ATOM 418 OE1 GLN A 47 -21.848 27.874 -28.049 1.00 14.36 O ATOM 419 NE2 GLN A 47 -23.938 28.676 -27.901 1.00 15.31 N ATOM 420 HE22 GLN A 47 -24.958 28.491 -27.987 1.00 0.00 H ATOM 421 HE21 GLN A 47 -23.602 29.622 -27.629 1.00 0.00 H ATOM 422 H GLN A 47 -22.885 24.051 -26.773 1.00 0.00 H ATOM 423 N ALA A 48 -21.336 22.424 -29.227 1.00 12.73 N ATOM 424 CA ALA A 48 -20.492 21.407 -29.860 1.00 12.90 C ATOM 425 C ALA A 48 -21.257 20.093 -30.062 1.00 12.49 C ATOM 426 O ALA A 48 -21.236 19.508 -31.145 1.00 11.85 O ATOM 427 CB ALA A 48 -19.255 21.166 -29.003 1.00 13.16 C ATOM 428 H ALA A 48 -21.045 22.807 -28.305 1.00 0.00 H ATOM 429 N ALA A 49 -21.929 19.649 -29.008 1.00 12.77 N ATOM 430 CA ALA A 49 -22.708 18.397 -29.050 1.00 13.16 C ATOM 431 C ALA A 49 -23.734 18.406 -30.176 1.00 13.36 C ATOM 432 O ALA A 49 -23.839 17.446 -30.920 1.00 13.38 O ATOM 433 CB ALA A 49 -23.409 18.148 -27.709 1.00 13.06 C ATOM 434 H ALA A 49 -21.906 20.200 -28.126 1.00 0.00 H ATOM 435 N ARG A 50 -24.499 19.480 -30.299 1.00 14.61 N ATOM 436 CA ARG A 50 -25.545 19.554 -31.342 1.00 16.22 C ATOM 437 C ARG A 50 -24.970 19.510 -32.747 1.00 14.71 C ATOM 438 O ARG A 50 -25.515 18.859 -33.620 1.00 14.55 O ATOM 439 CB ARG A 50 -26.355 20.836 -31.241 1.00 19.30 C ATOM 440 CG ARG A 50 -27.276 20.915 -30.066 1.00 23.50 C ATOM 441 CD ARG A 50 -27.881 22.314 -30.006 1.00 27.76 C ATOM 442 NE ARG A 50 -28.652 22.455 -28.789 1.00 30.53 N ATOM 443 CZ ARG A 50 -29.872 21.968 -28.644 1.00 34.56 C ATOM 444 NH1 ARG A 50 -30.463 21.328 -29.654 1.00 36.80 N ATOM 445 NH2 ARG A 50 -30.506 22.120 -27.490 1.00 38.02 N ATOM 446 HE ARG A 50 -28.225 22.965 -27.989 1.00 0.00 H ATOM 447 HH12 ARG A 50 -31.423 20.946 -29.537 1.00 0.00 H ATOM 448 HH11 ARG A 50 -29.964 21.211 -30.559 1.00 0.00 H ATOM 449 HH22 ARG A 50 -31.466 21.739 -27.370 1.00 0.00 H ATOM 450 HH21 ARG A 50 -30.043 22.620 -26.704 1.00 0.00 H ATOM 451 H ARG A 50 -24.362 20.283 -29.653 1.00 0.00 H ATOM 452 N ARG A 51 -23.872 20.230 -32.951 1.00 13.66 N ATOM 453 CA ARG A 51 -23.191 20.250 -34.238 1.00 12.48 C ATOM 454 C ARG A 51 -22.654 18.883 -34.608 1.00 12.06 C ATOM 455 O ARG A 51 -22.848 18.412 -35.736 1.00 12.22 O ATOM 456 CB ARG A 51 -22.020 21.229 -34.226 1.00 12.35 C ATOM 457 CG ARG A 51 -21.201 21.128 -35.504 1.00 12.18 C ATOM 458 CD ARG A 51 -20.050 22.090 -35.580 1.00 12.11 C ATOM 459 NE ARG A 51 -18.998 21.773 -34.608 1.00 12.12 N ATOM 460 CZ ARG A 51 -18.847 22.391 -33.433 1.00 11.75 C ATOM 461 NH1 ARG A 51 -19.683 23.357 -33.054 1.00 11.16 N ATOM 462 NH2 ARG A 51 -17.842 22.043 -32.636 1.00 11.95 N ATOM 463 HE ARG A 51 -18.325 21.017 -34.849 1.00 0.00 H ATOM 464 HH12 ARG A 51 -19.552 23.828 -32.136 1.00 0.00 H ATOM 465 HH11 ARG A 51 -20.467 23.640 -33.676 1.00 0.00 H ATOM 466 HH22 ARG A 51 -17.716 22.518 -31.720 1.00 0.00 H ATOM 467 HH21 ARG A 51 -17.181 21.295 -32.929 1.00 0.00 H ATOM 468 H ARG A 51 -23.487 20.796 -32.168 1.00 0.00 H ATOM 469 N GLU A 52 -21.956 18.264 -33.662 1.00 11.41 N ATOM 470 CA GLU A 52 -21.281 17.002 -33.929 1.00 11.35 C ATOM 471 C GLU A 52 -22.286 15.867 -34.166 1.00 10.76 C ATOM 472 O GLU A 52 -22.049 15.011 -35.025 1.00 10.41 O ATOM 473 CB GLU A 52 -20.258 16.714 -32.826 1.00 11.39 C ATOM 474 CG GLU A 52 -19.097 17.693 -32.926 1.00 11.79 C ATOM 475 CD GLU A 52 -18.242 17.826 -31.689 1.00 12.00 C ATOM 476 OE1 GLU A 52 -18.557 17.234 -30.644 1.00 12.74 O ATOM 477 OE2 GLU A 52 -17.242 18.566 -31.780 1.00 12.56 O ATOM 478 H GLU A 52 -21.891 18.688 -32.715 1.00 0.00 H ATOM 479 N LEU A 53 -23.415 15.882 -33.454 1.00 10.39 N ATOM 480 CA LEU A 53 -24.471 14.902 -33.708 1.00 10.23 C ATOM 481 C LEU A 53 -24.965 15.007 -35.149 1.00 10.00 C ATOM 482 O LEU A 53 -25.112 14.007 -35.834 1.00 10.17 O ATOM 483 CB LEU A 53 -25.657 15.098 -32.737 1.00 10.17 C ATOM 484 CG LEU A 53 -26.860 14.180 -32.940 1.00 10.23 C ATOM 485 CD1 LEU A 53 -26.503 12.723 -32.596 1.00 10.23 C ATOM 486 CD2 LEU A 53 -28.031 14.675 -32.090 1.00 10.52 C ATOM 487 H LEU A 53 -23.545 16.598 -32.711 1.00 0.00 H ATOM 488 N LEU A 54 -25.250 16.220 -35.594 1.00 10.28 N ATOM 489 CA LEU A 54 -25.786 16.441 -36.939 1.00 10.41 C ATOM 490 C LEU A 54 -24.807 15.983 -38.002 1.00 10.54 C ATOM 491 O LEU A 54 -25.178 15.242 -38.905 1.00 10.89 O ATOM 492 CB LEU A 54 -26.145 17.917 -37.135 1.00 10.34 C ATOM 493 CG LEU A 54 -26.658 18.317 -38.515 1.00 10.50 C ATOM 494 CD1 LEU A 54 -27.835 17.441 -38.907 1.00 10.78 C ATOM 495 CD2 LEU A 54 -27.046 19.779 -38.554 1.00 10.60 C ATOM 496 H LEU A 54 -25.089 17.038 -34.972 1.00 0.00 H ATOM 497 N GLU A 55 -23.550 16.390 -37.865 1.00 10.78 N ATOM 498 CA GLU A 55 -22.509 16.030 -38.828 1.00 11.09 C ATOM 499 C GLU A 55 -22.271 14.535 -38.924 1.00 11.10 C ATOM 500 O GLU A 55 -22.094 14.012 -40.007 1.00 10.75 O ATOM 501 CB GLU A 55 -21.175 16.707 -38.458 1.00 11.38 C ATOM 502 CG GLU A 55 -21.158 18.210 -38.659 1.00 11.63 C ATOM 503 CD GLU A 55 -19.973 18.885 -37.993 1.00 12.36 C ATOM 504 OE1 GLU A 55 -19.416 18.340 -36.994 1.00 12.72 O ATOM 505 OE2 GLU A 55 -19.604 19.975 -38.461 1.00 12.66 O ATOM 506 H GLU A 55 -23.298 16.983 -37.048 1.00 0.00 H ATOM 507 N GLU A 56 -22.274 13.846 -37.785 1.00 11.43 N ATOM 508 CA GLU A 56 -21.919 12.419 -37.749 1.00 11.65 C ATOM 509 C GLU A 56 -23.084 11.466 -38.042 1.00 11.79 C ATOM 510 O GLU A 56 -22.881 10.373 -38.596 1.00 11.47 O ATOM 511 CB GLU A 56 -21.311 12.082 -36.381 1.00 11.77 C ATOM 512 CG GLU A 56 -19.959 12.717 -36.151 1.00 12.10 C ATOM 513 CD GLU A 56 -19.511 12.695 -34.698 1.00 12.63 C ATOM 514 OE1 GLU A 56 -20.116 11.989 -33.853 1.00 12.31 O ATOM 515 OE2 GLU A 56 -18.548 13.438 -34.416 1.00 13.48 O ATOM 516 H GLU A 56 -22.533 14.328 -36.900 1.00 0.00 H ATOM 517 N SER A 57 -24.293 11.855 -37.644 1.00 12.46 N ATOM 518 CA SER A 57 -25.468 10.967 -37.747 1.00 12.58 C ATOM 519 C SER A 57 -26.605 11.463 -38.651 1.00 13.06 C ATOM 520 O SER A 57 -27.476 10.669 -39.028 1.00 13.52 O ATOM 521 CB SER A 57 -26.047 10.700 -36.348 1.00 12.73 C ATOM 522 OG SER A 57 -26.782 11.827 -35.861 1.00 12.76 O ATOM 523 HG SER A 57 -26.182 12.613 -35.808 1.00 0.00 H ATOM 524 H SER A 57 -24.413 12.810 -37.250 1.00 0.00 H ATOM 525 N GLY A 58 -26.623 12.750 -38.984 1.00 13.25 N ATOM 526 CA GLY A 58 -27.728 13.327 -39.761 1.00 13.52 C ATOM 527 C GLY A 58 -28.897 13.877 -38.958 1.00 13.89 C ATOM 528 O GLY A 58 -29.829 14.454 -39.534 1.00 14.41 O ATOM 529 H GLY A 58 -25.836 13.362 -38.687 1.00 0.00 H ATOM 530 N LEU A 59 -28.854 13.742 -37.633 1.00 14.43 N ATOM 531 CA LEU A 59 -29.975 14.119 -36.767 1.00 15.07 C ATOM 532 C LEU A 59 -29.866 15.531 -36.194 1.00 15.81 C ATOM 533 O LEU A 59 -28.796 15.953 -35.736 1.00 15.98 O ATOM 534 CB LEU A 59 -30.103 13.138 -35.598 1.00 15.03 C ATOM 535 CG LEU A 59 -30.300 11.660 -35.958 1.00 15.44 C ATOM 536 CD1 LEU A 59 -30.608 10.863 -34.699 1.00 15.13 C ATOM 537 CD2 LEU A 59 -31.409 11.483 -36.996 1.00 15.96 C ATOM 538 H LEU A 59 -27.993 13.355 -37.197 1.00 0.00 H ATOM 539 N THR A 60 -30.996 16.236 -36.192 1.00 16.98 N ATOM 540 CA THR A 60 -31.128 17.547 -35.548 1.00 18.85 C ATOM 541 C THR A 60 -31.926 17.305 -34.275 1.00 21.62 C ATOM 542 O THR A 60 -33.017 16.722 -34.337 1.00 20.69 O ATOM 543 CB THR A 60 -31.901 18.540 -36.457 1.00 19.04 C ATOM 544 OG1 THR A 60 -31.226 18.688 -37.717 1.00 18.76 O ATOM 545 CG2 THR A 60 -32.047 19.912 -35.798 1.00 19.15 C ATOM 546 HG1 THR A 60 -31.174 17.808 -38.168 1.00 0.00 H ATOM 547 H THR A 60 -31.828 15.836 -36.672 1.00 0.00 H ATOM 548 N VAL A 61 -31.397 17.750 -33.136 1.00 23.05 N ATOM 549 CA VAL A 61 -32.077 17.604 -31.842 1.00 25.68 C ATOM 550 C VAL A 61 -32.553 18.951 -31.286 1.00 28.47 C ATOM 551 O VAL A 61 -31.875 19.966 -31.423 1.00 29.19 O ATOM 552 CB VAL A 61 -31.151 16.930 -30.801 1.00 25.35 C ATOM 553 CG1 VAL A 61 -29.763 17.551 -30.830 1.00 24.90 C ATOM 554 CG2 VAL A 61 -31.727 17.023 -29.399 1.00 25.93 C ATOM 555 H VAL A 61 -30.469 18.218 -33.164 1.00 0.00 H ATOM 556 N ASP A 62 -33.724 18.943 -30.655 1.00 31.36 N ATOM 557 CA ASP A 62 -34.248 20.128 -29.964 1.00 35.55 C ATOM 558 C ASP A 62 -33.539 20.300 -28.608 1.00 33.64 C ATOM 559 O ASP A 62 -32.575 21.039 -28.501 1.00 34.46 O ATOM 560 CB ASP A 62 -35.778 20.032 -29.793 1.00 40.03 C ATOM 561 CG ASP A 62 -36.232 18.692 -29.198 1.00 44.97 C ATOM 562 OD1 ASP A 62 -35.560 17.665 -29.460 1.00 52.62 O ATOM 563 OD2 ASP A 62 -37.239 18.667 -28.453 1.00 47.78 O ATOM 564 H ASP A 62 -34.287 18.069 -30.651 1.00 0.00 H ATOM 565 N THR A 63 -33.996 19.603 -27.580 1.00 31.79 N ATOM 566 CA THR A 63 -33.443 19.757 -26.240 1.00 29.42 C ATOM 567 C THR A 63 -32.454 18.643 -25.982 1.00 24.78 C ATOM 568 O THR A 63 -32.772 17.484 -26.198 1.00 23.66 O ATOM 569 CB THR A 63 -34.568 19.666 -25.196 1.00 30.14 C ATOM 570 OG1 THR A 63 -35.603 20.577 -25.559 1.00 31.82 O ATOM 571 CG2 THR A 63 -34.063 20.003 -23.792 1.00 30.52 C ATOM 572 HG1 THR A 63 -36.334 20.527 -24.893 1.00 0.00 H ATOM 573 H THR A 63 -34.771 18.927 -27.732 1.00 0.00 H ATOM 574 N LEU A 64 -31.264 19.011 -25.514 1.00 22.09 N ATOM 575 CA LEU A 64 -30.285 18.057 -24.989 1.00 20.33 C ATOM 576 C LEU A 64 -30.319 18.063 -23.459 1.00 20.54 C ATOM 577 O LEU A 64 -30.273 19.128 -22.845 1.00 21.12 O ATOM 578 CB LEU A 64 -28.892 18.429 -25.433 1.00 19.82 C ATOM 579 CG LEU A 64 -28.500 18.067 -26.856 1.00 20.00 C ATOM 580 CD1 LEU A 64 -27.188 18.756 -27.211 1.00 20.63 C ATOM 581 CD2 LEU A 64 -28.378 16.572 -27.010 1.00 19.34 C ATOM 582 H LEU A 64 -31.018 20.022 -25.521 1.00 0.00 H ATOM 583 N HIS A 65 -30.439 16.887 -22.858 1.00 19.05 N ATOM 584 CA HIS A 65 -30.476 16.748 -21.403 1.00 18.94 C ATOM 585 C HIS A 65 -29.117 16.336 -20.910 1.00 17.31 C ATOM 586 O HIS A 65 -28.618 15.276 -21.281 1.00 15.96 O ATOM 587 CB HIS A 65 -31.504 15.691 -21.002 1.00 19.66 C ATOM 588 CG HIS A 65 -32.902 16.046 -21.404 1.00 21.89 C ATOM 589 ND1 HIS A 65 -33.716 16.852 -20.635 1.00 22.95 N ATOM 590 CD2 HIS A 65 -33.618 15.732 -22.509 1.00 22.59 C ATOM 591 CE1 HIS A 65 -34.879 17.012 -21.242 1.00 23.45 C ATOM 592 NE2 HIS A 65 -34.847 16.338 -22.379 1.00 24.34 N ATOM 593 H HIS A 65 -30.509 16.031 -23.444 1.00 0.00 H ATOM 594 N LYS A 66 -28.518 17.162 -20.065 1.00 16.89 N ATOM 595 CA LYS A 66 -27.216 16.840 -19.490 1.00 16.61 C ATOM 596 C LYS A 66 -27.416 15.694 -18.512 1.00 15.97 C ATOM 597 O LYS A 66 -28.197 15.814 -17.580 1.00 15.86 O ATOM 598 CB LYS A 66 -26.626 18.055 -18.779 1.00 17.39 C ATOM 599 CG LYS A 66 -25.221 17.857 -18.212 1.00 18.58 C ATOM 600 CD LYS A 66 -24.163 17.502 -19.259 1.00 18.46 C ATOM 601 CE LYS A 66 -22.810 17.241 -18.599 1.00 19.25 C ATOM 602 NZ LYS A 66 -22.190 18.466 -18.010 1.00 17.72 N ATOM 603 HZ1 LYS A 66 -22.041 19.172 -18.759 1.00 0.00 H ATOM 604 HZ2 LYS A 66 -22.822 18.858 -17.283 1.00 0.00 H ATOM 605 HZ3 LYS A 66 -21.276 18.218 -17.580 1.00 0.00 H ATOM 606 H LYS A 66 -28.984 18.055 -19.807 1.00 0.00 H ATOM 607 N ILE A 67 -26.714 14.584 -18.721 1.00 14.91 N ATOM 608 CA ILE A 67 -26.939 13.399 -17.902 1.00 14.45 C ATOM 609 C ILE A 67 -25.684 12.878 -17.187 1.00 13.71 C ATOM 610 O ILE A 67 -25.809 12.127 -16.222 1.00 12.85 O ATOM 611 CB ILE A 67 -27.659 12.295 -18.725 1.00 15.21 C ATOM 612 CG1 ILE A 67 -28.275 11.223 -17.811 1.00 16.26 C ATOM 613 CG2 ILE A 67 -26.734 11.660 -19.758 1.00 15.01 C ATOM 614 CD1 ILE A 67 -29.366 11.729 -16.882 1.00 16.95 C ATOM 615 H ILE A 67 -25.998 14.561 -19.475 1.00 0.00 H ATOM 616 N GLY A 68 -24.484 13.275 -17.618 1.00 12.10 N ATOM 617 CA GLY A 68 -23.286 12.821 -16.928 1.00 11.84 C ATOM 618 C GLY A 68 -22.006 13.573 -17.256 1.00 11.39 C ATOM 619 O GLY A 68 -21.907 14.231 -18.293 1.00 11.50 O ATOM 620 H GLY A 68 -24.406 13.905 -18.442 1.00 0.00 H ATOM 621 N ASN A 69 -21.034 13.460 -16.355 1.00 11.01 N ATOM 622 CA ASN A 69 -19.703 14.027 -16.541 1.00 10.94 C ATOM 623 C ASN A 69 -18.684 13.068 -15.931 1.00 10.40 C ATOM 624 O ASN A 69 -18.786 12.706 -14.777 1.00 9.71 O ATOM 625 CB ASN A 69 -19.650 15.427 -15.904 1.00 11.12 C ATOM 626 CG ASN A 69 -18.266 16.054 -15.912 1.00 11.40 C ATOM 627 OD1 ASN A 69 -17.873 16.702 -14.929 1.00 12.01 O ATOM 628 ND2 ASN A 69 -17.521 15.893 -17.013 1.00 11.58 N ATOM 629 HD22 ASN A 69 -17.890 15.342 -17.814 1.00 0.00 H ATOM 630 HD21 ASN A 69 -16.574 16.319 -17.067 1.00 0.00 H ATOM 631 H ASN A 69 -21.233 12.942 -15.475 1.00 0.00 H ATOM 632 N ILE A 70 -17.745 12.608 -16.753 1.00 10.86 N ATOM 633 CA ILE A 70 -16.713 11.683 -16.325 1.00 11.20 C ATOM 634 C ILE A 70 -15.341 12.180 -16.789 1.00 11.31 C ATOM 635 O ILE A 70 -15.162 12.513 -17.975 1.00 11.29 O ATOM 636 CB ILE A 70 -16.942 10.252 -16.879 1.00 11.33 C ATOM 637 CG1 ILE A 70 -18.343 9.719 -16.532 1.00 11.86 C ATOM 638 CG2 ILE A 70 -15.902 9.308 -16.311 1.00 11.49 C ATOM 639 CD1 ILE A 70 -18.623 8.322 -17.096 1.00 12.09 C ATOM 640 H ILE A 70 -17.751 12.925 -17.744 1.00 0.00 H ATOM 641 N LYS A 71 -14.398 12.249 -15.853 1.00 12.08 N ATOM 642 CA LYS A 71 -12.996 12.485 -16.177 1.00 12.62 C ATOM 643 C LYS A 71 -12.276 11.154 -16.316 1.00 12.53 C ATOM 644 O LYS A 71 -12.444 10.255 -15.481 1.00 12.12 O ATOM 645 CB LYS A 71 -12.303 13.358 -15.125 1.00 14.18 C ATOM 646 CG LYS A 71 -12.560 14.850 -15.326 1.00 15.51 C ATOM 647 CD LYS A 71 -11.581 15.728 -14.566 1.00 16.69 C ATOM 648 CE LYS A 71 -11.851 17.204 -14.820 1.00 17.23 C ATOM 649 NZ LYS A 71 -13.165 17.656 -14.276 1.00 17.60 N ATOM 650 HZ1 LYS A 71 -13.930 17.112 -14.724 1.00 0.00 H ATOM 651 HZ2 LYS A 71 -13.184 17.502 -13.248 1.00 0.00 H ATOM 652 HZ3 LYS A 71 -13.293 18.668 -14.479 1.00 0.00 H ATOM 653 H LYS A 71 -14.670 12.131 -14.856 1.00 0.00 H ATOM 654 N PHE A 72 -11.482 11.035 -17.379 1.00 12.19 N ATOM 655 CA PHE A 72 -10.701 9.841 -17.650 1.00 12.39 C ATOM 656 C PHE A 72 -9.219 10.174 -17.610 1.00 13.87 C ATOM 657 O PHE A 72 -8.765 11.112 -18.273 1.00 13.84 O ATOM 658 CB PHE A 72 -11.058 9.257 -19.020 1.00 11.64 C ATOM 659 CG PHE A 72 -12.479 8.785 -19.137 1.00 11.05 C ATOM 660 CD1 PHE A 72 -12.821 7.483 -18.798 1.00 10.96 C ATOM 661 CD2 PHE A 72 -13.470 9.619 -19.624 1.00 10.99 C ATOM 662 CE1 PHE A 72 -14.125 7.027 -18.923 1.00 10.84 C ATOM 663 CE2 PHE A 72 -14.788 9.163 -19.755 1.00 10.78 C ATOM 664 CZ PHE A 72 -15.110 7.870 -19.406 1.00 10.55 C ATOM 665 H PHE A 72 -11.419 11.832 -18.044 1.00 0.00 H ATOM 666 N GLU A 73 -8.483 9.377 -16.841 1.00 15.44 N ATOM 667 CA GLU A 73 -7.030 9.470 -16.724 1.00 17.60 C ATOM 668 C GLU A 73 -6.409 8.181 -17.236 1.00 17.72 C ATOM 669 O GLU A 73 -6.926 7.095 -16.959 1.00 16.60 O ATOM 670 CB GLU A 73 -6.665 9.656 -15.254 1.00 20.07 C ATOM 671 CG GLU A 73 -5.190 9.830 -14.969 1.00 22.85 C ATOM 672 CD GLU A 73 -4.880 9.812 -13.478 1.00 26.64 C ATOM 673 OE1 GLU A 73 -5.701 10.337 -12.672 1.00 29.47 O ATOM 674 OE2 GLU A 73 -3.797 9.285 -13.119 1.00 28.96 O ATOM 675 H GLU A 73 -8.972 8.643 -16.289 1.00 0.00 H ATOM 676 N PHE A 74 -5.314 8.302 -17.982 1.00 17.98 N ATOM 677 CA PHE A 74 -4.543 7.157 -18.456 1.00 19.37 C ATOM 678 C PHE A 74 -3.194 7.096 -17.759 1.00 19.99 C ATOM 679 O PHE A 74 -2.414 8.043 -17.824 1.00 18.77 O ATOM 680 CB PHE A 74 -4.355 7.263 -19.966 1.00 19.32 C ATOM 681 CG PHE A 74 -5.641 7.285 -20.723 1.00 20.35 C ATOM 682 CD1 PHE A 74 -6.324 8.478 -20.905 1.00 20.75 C ATOM 683 CD2 PHE A 74 -6.183 6.115 -21.228 1.00 20.67 C ATOM 684 CE1 PHE A 74 -7.532 8.503 -21.587 1.00 21.72 C ATOM 685 CE2 PHE A 74 -7.387 6.134 -21.920 1.00 21.82 C ATOM 686 CZ PHE A 74 -8.063 7.329 -22.095 1.00 21.37 C ATOM 687 H PHE A 74 -4.992 9.257 -18.239 1.00 0.00 H ATOM 688 N ILE A 75 -2.919 5.968 -17.112 1.00 21.18 N ATOM 689 CA ILE A 75 -1.649 5.770 -16.411 1.00 23.69 C ATOM 690 C ILE A 75 -0.455 6.021 -17.334 1.00 23.47 C ATOM 691 O ILE A 75 -0.428 5.554 -18.464 1.00 22.18 O ATOM 692 CB ILE A 75 -1.552 4.371 -15.759 1.00 26.30 C ATOM 693 CG1 ILE A 75 -0.421 4.353 -14.735 1.00 27.97 C ATOM 694 CG2 ILE A 75 -1.318 3.272 -16.786 1.00 27.91 C ATOM 695 CD1 ILE A 75 -0.650 5.258 -13.538 1.00 30.17 C ATOM 696 H ILE A 75 -3.626 5.205 -17.103 1.00 0.00 H ATOM 697 N GLY A 76 0.500 6.812 -16.860 1.00 23.33 N ATOM 698 CA GLY A 76 1.661 7.160 -17.654 1.00 24.24 C ATOM 699 C GLY A 76 1.492 8.329 -18.610 1.00 24.81 C ATOM 700 O GLY A 76 2.463 8.715 -19.270 1.00 25.65 O ATOM 701 H GLY A 76 0.413 7.191 -15.895 1.00 0.00 H ATOM 702 N GLU A 77 0.287 8.898 -18.684 1.00 25.34 N ATOM 703 CA GLU A 77 0.001 10.014 -19.587 1.00 25.90 C ATOM 704 C GLU A 77 -0.482 11.233 -18.804 1.00 25.05 C ATOM 705 O GLU A 77 -1.212 11.112 -17.820 1.00 24.10 O ATOM 706 CB GLU A 77 -1.059 9.615 -20.620 1.00 27.24 C ATOM 707 CG GLU A 77 -0.689 8.444 -21.535 1.00 28.53 C ATOM 708 CD GLU A 77 0.469 8.741 -22.477 1.00 29.02 C ATOM 709 OE1 GLU A 77 0.572 9.890 -22.945 1.00 31.07 O ATOM 710 OE2 GLU A 77 1.279 7.825 -22.761 1.00 30.37 O ATOM 711 H GLU A 77 -0.477 8.535 -18.078 1.00 0.00 H ATOM 712 N THR A 78 -0.079 12.413 -19.256 1.00 24.43 N ATOM 713 CA THR A 78 -0.375 13.646 -18.567 1.00 26.12 C ATOM 714 C THR A 78 -1.803 14.170 -18.729 1.00 27.35 C ATOM 715 O THR A 78 -2.447 14.564 -17.755 1.00 28.74 O ATOM 716 CB THR A 78 0.613 14.713 -19.074 1.00 27.66 C ATOM 717 OG1 THR A 78 1.953 14.215 -18.914 1.00 27.67 O ATOM 718 CG2 THR A 78 0.448 16.011 -18.317 1.00 28.03 C ATOM 719 HG1 THR A 78 2.597 14.894 -19.237 1.00 0.00 H ATOM 720 H THR A 78 0.470 12.451 -20.139 1.00 0.00 H ATOM 721 N GLU A 79 -2.307 14.160 -19.950 1.00 28.26 N ATOM 722 CA GLU A 79 -3.573 14.848 -20.249 1.00 28.85 C ATOM 723 C GLU A 79 -4.828 14.023 -19.896 1.00 25.25 C ATOM 724 O GLU A 79 -4.890 12.850 -20.201 1.00 23.18 O ATOM 725 CB GLU A 79 -3.581 15.252 -21.726 1.00 32.58 C ATOM 726 CG GLU A 79 -4.867 15.937 -22.175 1.00 36.39 C ATOM 727 CD GLU A 79 -4.658 16.885 -23.341 1.00 40.11 C ATOM 728 OE1 GLU A 79 -4.559 16.398 -24.496 1.00 42.64 O ATOM 729 OE2 GLU A 79 -4.601 18.114 -23.089 1.00 40.91 O ATOM 730 H GLU A 79 -1.803 13.660 -20.710 1.00 0.00 H ATOM 731 N LEU A 80 -5.817 14.656 -19.261 1.00 23.85 N ATOM 732 CA LEU A 80 -7.105 14.012 -18.956 1.00 22.76 C ATOM 733 C LEU A 80 -8.131 14.278 -20.048 1.00 20.81 C ATOM 734 O LEU A 80 -8.059 15.280 -20.750 1.00 19.61 O ATOM 735 CB LEU A 80 -7.690 14.541 -17.628 1.00 23.46 C ATOM 736 CG LEU A 80 -6.812 14.460 -16.391 1.00 24.22 C ATOM 737 CD1 LEU A 80 -7.537 15.026 -15.177 1.00 24.03 C ATOM 738 CD2 LEU A 80 -6.395 13.021 -16.141 1.00 24.57 C ATOM 739 H LEU A 80 -5.672 15.644 -18.970 1.00 0.00 H ATOM 740 N MET A 81 -9.124 13.406 -20.144 1.00 19.93 N ATOM 741 CA MET A 81 -10.296 13.650 -20.998 1.00 19.50 C ATOM 742 C MET A 81 -11.459 14.014 -20.097 1.00 17.45 C ATOM 743 O MET A 81 -11.808 13.239 -19.215 1.00 17.06 O ATOM 744 CB MET A 81 -10.649 12.386 -21.788 1.00 20.70 C ATOM 745 CG MET A 81 -9.593 11.987 -22.805 1.00 22.59 C ATOM 746 SD MET A 81 -9.954 10.403 -23.590 1.00 25.80 S ATOM 747 CE MET A 81 -11.432 10.728 -24.515 1.00 26.01 C ATOM 748 H MET A 81 -9.073 12.522 -19.599 1.00 0.00 H ATOM 749 N ASP A 82 -12.064 15.181 -20.312 1.00 15.88 N ATOM 750 CA ASP A 82 -13.240 15.606 -19.543 1.00 14.43 C ATOM 751 C ASP A 82 -14.462 15.484 -20.452 1.00 13.22 C ATOM 752 O ASP A 82 -14.699 16.352 -21.299 1.00 12.89 O ATOM 753 CB ASP A 82 -13.082 17.049 -19.052 1.00 14.91 C ATOM 754 CG ASP A 82 -14.242 17.502 -18.150 1.00 15.43 C ATOM 755 OD1 ASP A 82 -14.882 16.653 -17.513 1.00 16.23 O ATOM 756 OD2 ASP A 82 -14.519 18.718 -18.072 1.00 15.96 O ATOM 757 H ASP A 82 -11.691 15.812 -21.049 1.00 0.00 H ATOM 758 N VAL A 83 -15.231 14.414 -20.251 1.00 12.23 N ATOM 759 CA VAL A 83 -16.333 14.035 -21.136 1.00 11.30 C ATOM 760 C VAL A 83 -17.685 14.440 -20.550 1.00 10.98 C ATOM 761 O VAL A 83 -18.018 14.060 -19.415 1.00 10.51 O ATOM 762 CB VAL A 83 -16.324 12.511 -21.390 1.00 10.87 C ATOM 763 CG1 VAL A 83 -17.492 12.084 -22.264 1.00 11.05 C ATOM 764 CG2 VAL A 83 -15.017 12.100 -22.017 1.00 11.01 C ATOM 765 H VAL A 83 -15.038 13.817 -19.422 1.00 0.00 H ATOM 766 N HIS A 84 -18.471 15.172 -21.347 1.00 10.58 N ATOM 767 CA HIS A 84 -19.774 15.666 -20.935 1.00 10.55 C ATOM 768 C HIS A 84 -20.827 14.943 -21.761 1.00 10.87 C ATOM 769 O HIS A 84 -20.755 14.924 -22.997 1.00 10.82 O ATOM 770 CB HIS A 84 -19.817 17.192 -21.089 1.00 10.69 C ATOM 771 CG HIS A 84 -18.891 17.901 -20.146 1.00 10.33 C ATOM 772 ND1 HIS A 84 -19.323 18.465 -18.964 1.00 10.24 N ATOM 773 CD2 HIS A 84 -17.547 18.094 -20.184 1.00 10.37 C ATOM 774 CE1 HIS A 84 -18.296 18.980 -18.316 1.00 10.23 C ATOM 775 NE2 HIS A 84 -17.202 18.760 -19.029 1.00 10.23 N ATOM 776 H HIS A 84 -18.134 15.398 -22.305 1.00 0.00 H ATOM 777 N ILE A 85 -21.764 14.294 -21.066 1.00 11.13 N ATOM 778 CA ILE A 85 -22.654 13.308 -21.675 1.00 11.64 C ATOM 779 C ILE A 85 -24.088 13.813 -21.665 1.00 11.70 C ATOM 780 O ILE A 85 -24.563 14.290 -20.643 1.00 12.06 O ATOM 781 CB ILE A 85 -22.568 11.940 -20.940 1.00 11.73 C ATOM 782 CG1 ILE A 85 -21.102 11.493 -20.840 1.00 11.95 C ATOM 783 CG2 ILE A 85 -23.388 10.879 -21.668 1.00 11.74 C ATOM 784 CD1 ILE A 85 -20.878 10.196 -20.086 1.00 12.04 C ATOM 785 H ILE A 85 -21.864 14.498 -20.051 1.00 0.00 H ATOM 786 N PHE A 86 -24.753 13.719 -22.817 1.00 11.79 N ATOM 787 CA PHE A 86 -26.110 14.201 -23.001 1.00 12.07 C ATOM 788 C PHE A 86 -27.002 13.077 -23.487 1.00 13.29 C ATOM 789 O PHE A 86 -26.547 12.163 -24.168 1.00 13.14 O ATOM 790 CB PHE A 86 -26.164 15.312 -24.055 1.00 12.08 C ATOM 791 CG PHE A 86 -25.421 16.564 -23.680 1.00 11.86 C ATOM 792 CD1 PHE A 86 -24.068 16.690 -23.954 1.00 11.83 C ATOM 793 CD2 PHE A 86 -26.079 17.618 -23.048 1.00 11.88 C ATOM 794 CE1 PHE A 86 -23.385 17.844 -23.608 1.00 11.96 C ATOM 795 CE2 PHE A 86 -25.402 18.776 -22.696 1.00 12.24 C ATOM 796 CZ PHE A 86 -24.051 18.892 -22.972 1.00 12.10 C ATOM 797 H PHE A 86 -24.274 13.277 -23.627 1.00 0.00 H ATOM 798 N ARG A 87 -28.279 13.185 -23.155 1.00 15.01 N ATOM 799 CA ARG A 87 -29.319 12.306 -23.641 1.00 17.13 C ATOM 800 C ARG A 87 -30.244 13.130 -24.521 1.00 17.65 C ATOM 801 O ARG A 87 -30.627 14.252 -24.154 1.00 18.65 O ATOM 802 CB ARG A 87 -30.128 11.786 -22.470 1.00 18.92 C ATOM 803 CG ARG A 87 -30.322 10.299 -22.429 1.00 20.96 C ATOM 804 CD ARG A 87 -31.182 9.892 -21.234 1.00 21.85 C ATOM 805 NE ARG A 87 -32.555 9.620 -21.629 1.00 23.40 N ATOM 806 CZ ARG A 87 -33.249 8.524 -21.333 1.00 25.23 C ATOM 807 NH1 ARG A 87 -34.492 8.401 -21.792 1.00 26.87 N ATOM 808 NH2 ARG A 87 -32.737 7.550 -20.591 1.00 26.03 N ATOM 809 HE ARG A 87 -33.038 10.348 -22.194 1.00 0.00 H ATOM 810 HH12 ARG A 87 -35.047 7.550 -21.569 1.00 0.00 H ATOM 811 HH11 ARG A 87 -34.909 9.156 -22.374 1.00 0.00 H ATOM 812 HH22 ARG A 87 -33.305 6.706 -20.377 1.00 0.00 H ATOM 813 HH21 ARG A 87 -31.768 7.631 -20.223 1.00 0.00 H ATOM 814 H ARG A 87 -28.551 13.949 -22.504 1.00 0.00 H ATOM 815 N ALA A 88 -30.582 12.600 -25.684 1.00 17.09 N ATOM 816 CA ALA A 88 -31.620 13.188 -26.519 1.00 16.91 C ATOM 817 C ALA A 88 -32.767 12.198 -26.613 1.00 17.30 C ATOM 818 O ALA A 88 -32.556 11.033 -26.963 1.00 16.50 O ATOM 819 CB ALA A 88 -31.087 13.522 -27.901 1.00 16.33 C ATOM 820 H ALA A 88 -30.094 11.742 -26.011 1.00 0.00 H ATOM 821 N ASP A 89 -33.968 12.672 -26.284 1.00 18.00 N ATOM 822 CA ASP A 89 -35.170 11.836 -26.236 1.00 19.26 C ATOM 823 C ASP A 89 -36.054 12.057 -27.452 1.00 20.01 C ATOM 824 O ASP A 89 -36.989 11.306 -27.667 1.00 20.61 O ATOM 825 CB ASP A 89 -35.959 12.144 -24.948 1.00 19.73 C ATOM 826 CG ASP A 89 -35.132 11.912 -23.691 1.00 21.15 C ATOM 827 OD1 ASP A 89 -34.462 10.858 -23.601 1.00 22.00 O ATOM 828 OD2 ASP A 89 -35.123 12.784 -22.796 1.00 21.88 O ATOM 829 H ASP A 89 -34.056 13.682 -26.051 1.00 0.00 H ATOM 830 N ASN A 90 -35.762 13.093 -28.235 1.00 21.21 N ATOM 831 CA ASN A 90 -36.489 13.390 -29.469 1.00 22.59 C ATOM 832 C ASN A 90 -35.555 14.009 -30.487 1.00 22.44 C ATOM 833 O ASN A 90 -34.571 14.645 -30.108 1.00 20.79 O ATOM 834 CB ASN A 90 -37.625 14.376 -29.198 1.00 25.19 C ATOM 835 CG ASN A 90 -38.841 13.713 -28.589 1.00 27.01 C ATOM 836 OD1 ASN A 90 -39.439 12.816 -29.186 1.00 32.29 O ATOM 837 ND2 ASN A 90 -39.212 14.145 -27.400 1.00 28.47 N ATOM 838 HD22 ASN A 90 -38.677 14.905 -26.933 1.00 0.00 H ATOM 839 HD21 ASN A 90 -40.039 13.726 -26.929 1.00 0.00 H ATOM 840 H ASN A 90 -34.981 13.720 -27.956 1.00 0.00 H ATOM 841 N TYR A 91 -35.875 13.847 -31.771 1.00 21.17 N ATOM 842 CA TYR A 91 -35.029 14.360 -32.842 1.00 21.32 C ATOM 843 C TYR A 91 -35.803 14.497 -34.153 1.00 21.73 C ATOM 844 O TYR A 91 -36.866 13.896 -34.314 1.00 19.64 O ATOM 845 CB TYR A 91 -33.847 13.406 -33.056 1.00 21.60 C ATOM 846 CG TYR A 91 -34.262 11.987 -33.433 1.00 21.56 C ATOM 847 CD1 TYR A 91 -34.516 11.031 -32.455 1.00 21.60 C ATOM 848 CD2 TYR A 91 -34.397 11.607 -34.770 1.00 21.55 C ATOM 849 CE1 TYR A 91 -34.888 9.736 -32.793 1.00 21.46 C ATOM 850 CE2 TYR A 91 -34.772 10.322 -35.121 1.00 21.23 C ATOM 851 CZ TYR A 91 -35.021 9.391 -34.120 1.00 21.95 C ATOM 852 OH TYR A 91 -35.416 8.124 -34.459 1.00 21.73 O ATOM 853 HH TYR A 91 -35.551 7.590 -33.636 1.00 0.00 H ATOM 854 H TYR A 91 -36.751 13.342 -32.015 1.00 0.00 H ATOM 855 N GLU A 92 -35.255 15.282 -35.077 1.00 22.16 N ATOM 856 CA GLU A 92 -35.726 15.337 -36.462 1.00 23.93 C ATOM 857 C GLU A 92 -34.679 14.737 -37.386 1.00 22.20 C ATOM 858 O GLU A 92 -33.476 14.796 -37.104 1.00 21.05 O ATOM 859 CB GLU A 92 -35.945 16.777 -36.918 1.00 28.06 C ATOM 860 CG GLU A 92 -37.184 17.472 -36.388 1.00 32.77 C ATOM 861 CD GLU A 92 -37.266 18.917 -36.885 1.00 38.13 C ATOM 862 OE1 GLU A 92 -38.323 19.324 -37.415 1.00 41.17 O ATOM 863 OE2 GLU A 92 -36.253 19.648 -36.773 1.00 42.54 O ATOM 864 H GLU A 92 -34.454 15.885 -34.802 1.00 0.00 H ATOM 865 N GLY A 93 -35.142 14.210 -38.517 1.00 21.13 N ATOM 866 CA GLY A 93 -34.267 13.564 -39.495 1.00 21.16 C ATOM 867 C GLY A 93 -34.231 12.057 -39.315 1.00 20.01 C ATOM 868 O GLY A 93 -34.872 11.519 -38.432 1.00 18.36 O ATOM 869 H GLY A 93 -36.162 14.259 -38.712 1.00 0.00 H ATOM 870 N GLU A 94 -33.474 11.395 -40.178 1.00 20.56 N ATOM 871 CA GLU A 94 -33.280 9.959 -40.114 1.00 21.50 C ATOM 872 C GLU A 94 -31.790 9.678 -40.027 1.00 19.15 C ATOM 873 O GLU A 94 -31.011 10.354 -40.682 1.00 17.47 O ATOM 874 CB GLU A 94 -33.875 9.300 -41.351 1.00 25.28 C ATOM 875 CG GLU A 94 -35.405 9.343 -41.314 1.00 30.41 C ATOM 876 CD GLU A 94 -36.066 8.498 -42.384 1.00 35.40 C ATOM 877 OE1 GLU A 94 -35.341 7.968 -43.261 1.00 40.71 O ATOM 878 OE2 GLU A 94 -37.313 8.375 -42.338 1.00 39.32 O ATOM 879 H GLU A 94 -32.998 11.928 -40.934 1.00 0.00 H ATOM 880 N PRO A 95 -31.384 8.710 -39.187 1.00 17.49 N ATOM 881 CA PRO A 95 -29.954 8.393 -39.073 1.00 16.87 C ATOM 882 C PRO A 95 -29.359 7.927 -40.408 1.00 16.43 C ATOM 883 O PRO A 95 -30.027 7.212 -41.153 1.00 15.18 O ATOM 884 CB PRO A 95 -29.910 7.268 -38.025 1.00 17.25 C ATOM 885 CG PRO A 95 -31.252 7.234 -37.381 1.00 17.36 C ATOM 886 CD PRO A 95 -32.221 7.824 -38.358 1.00 17.70 C ATOM 887 N ALA A 96 -28.122 8.331 -40.693 1.00 15.92 N ATOM 888 CA ALA A 96 -27.433 7.931 -41.917 1.00 15.80 C ATOM 889 C ALA A 96 -25.935 7.905 -41.715 1.00 15.61 C ATOM 890 O ALA A 96 -25.394 8.672 -40.921 1.00 15.61 O ATOM 891 CB ALA A 96 -27.788 8.877 -43.061 1.00 16.41 C ATOM 892 H ALA A 96 -27.630 8.953 -40.020 1.00 0.00 H ATOM 893 N GLU A 97 -25.277 7.006 -42.440 1.00 15.05 N ATOM 894 CA GLU A 97 -23.835 6.864 -42.394 1.00 15.14 C ATOM 895 C GLU A 97 -23.132 8.109 -42.923 1.00 14.38 C ATOM 896 O GLU A 97 -23.516 8.645 -43.961 1.00 13.69 O ATOM 897 CB GLU A 97 -23.391 5.625 -43.206 1.00 15.67 C ATOM 898 CG GLU A 97 -21.891 5.378 -43.199 1.00 16.13 C ATOM 899 CD GLU A 97 -21.496 4.011 -43.725 1.00 17.17 C ATOM 900 OE1 GLU A 97 -22.395 3.221 -44.025 1.00 16.72 O ATOM 901 OE2 GLU A 97 -20.271 3.745 -43.849 1.00 18.01 O ATOM 902 H GLU A 97 -25.820 6.378 -43.067 1.00 0.00 H ATOM 903 N SER A 98 -22.104 8.541 -42.200 1.00 14.00 N ATOM 904 CA SER A 98 -21.208 9.637 -42.591 1.00 13.98 C ATOM 905 C SER A 98 -19.798 9.069 -42.720 1.00 15.00 C ATOM 906 O SER A 98 -19.590 7.885 -42.415 1.00 14.75 O ATOM 907 CB SER A 98 -21.203 10.706 -41.504 1.00 13.89 C ATOM 908 OG SER A 98 -20.660 10.202 -40.279 1.00 12.62 O ATOM 909 HG SER A 98 -21.207 9.438 -39.967 1.00 0.00 H ATOM 910 H SER A 98 -21.921 8.069 -41.292 1.00 0.00 H ATOM 911 N ASP A 99 -18.825 9.893 -43.145 1.00 15.37 N ATOM 912 CA ASP A 99 -17.414 9.451 -43.199 1.00 15.51 C ATOM 913 C ASP A 99 -16.876 9.074 -41.816 1.00 15.27 C ATOM 914 O ASP A 99 -15.958 8.275 -41.725 1.00 14.84 O ATOM 915 CB ASP A 99 -16.476 10.529 -43.782 1.00 15.83 C ATOM 916 CG ASP A 99 -16.251 10.391 -45.298 1.00 16.29 C ATOM 917 OD1 ASP A 99 -16.997 9.655 -45.975 1.00 16.36 O ATOM 918 OD2 ASP A 99 -15.317 11.052 -45.813 1.00 16.29 O ATOM 919 H ASP A 99 -19.068 10.860 -43.442 1.00 0.00 H ATOM 920 N GLU A 100 -17.423 9.667 -40.752 1.00 15.37 N ATOM 921 CA GLU A 100 -16.922 9.403 -39.397 1.00 15.53 C ATOM 922 C GLU A 100 -17.605 8.221 -38.690 1.00 15.34 C ATOM 923 O GLU A 100 -16.946 7.492 -37.955 1.00 17.13 O ATOM 924 CB GLU A 100 -17.038 10.672 -38.545 1.00 15.13 C ATOM 925 CG GLU A 100 -16.273 10.631 -37.231 1.00 15.46 C ATOM 926 CD GLU A 100 -14.763 10.753 -37.396 1.00 15.47 C ATOM 927 OE1 GLU A 100 -14.308 11.233 -38.459 1.00 15.22 O ATOM 928 OE2 GLU A 100 -14.033 10.378 -36.445 1.00 15.09 O ATOM 929 H GLU A 100 -18.216 10.326 -40.885 1.00 0.00 H ATOM 930 N MET A 101 -18.905 8.038 -38.893 1.00 15.22 N ATOM 931 CA MET A 101 -19.714 7.120 -38.071 1.00 15.39 C ATOM 932 C MET A 101 -20.742 6.373 -38.913 1.00 14.92 C ATOM 933 O MET A 101 -21.386 6.974 -39.771 1.00 15.25 O ATOM 934 CB MET A 101 -20.488 7.903 -36.985 1.00 16.07 C ATOM 935 CG MET A 101 -19.651 8.586 -35.903 1.00 17.02 C ATOM 936 SD MET A 101 -18.887 7.376 -34.813 1.00 20.20 S ATOM 937 CE MET A 101 -19.817 7.478 -33.278 1.00 20.27 C ATOM 938 H MET A 101 -19.370 8.563 -39.661 1.00 0.00 H ATOM 939 N ARG A 102 -20.929 5.083 -38.633 1.00 14.42 N ATOM 940 CA ARG A 102 -22.046 4.309 -39.194 1.00 14.35 C ATOM 941 C ARG A 102 -23.099 4.053 -38.105 1.00 13.25 C ATOM 942 O ARG A 102 -22.884 3.203 -37.253 1.00 12.62 O ATOM 943 CB ARG A 102 -21.571 2.980 -39.784 1.00 14.80 C ATOM 944 CG ARG A 102 -22.701 2.208 -40.454 1.00 15.81 C ATOM 945 CD ARG A 102 -22.245 0.931 -41.129 1.00 16.29 C ATOM 946 NE ARG A 102 -21.973 -0.135 -40.172 1.00 17.39 N ATOM 947 CZ ARG A 102 -20.760 -0.498 -39.780 1.00 19.01 C ATOM 948 NH1 ARG A 102 -19.666 0.114 -40.260 1.00 19.79 N ATOM 949 NH2 ARG A 102 -20.630 -1.483 -38.903 1.00 19.33 N ATOM 950 HE ARG A 102 -22.785 -0.645 -39.770 1.00 0.00 H ATOM 951 HH12 ARG A 102 -18.722 -0.184 -39.942 1.00 0.00 H ATOM 952 HH11 ARG A 102 -19.763 0.886 -40.950 1.00 0.00 H ATOM 953 HH22 ARG A 102 -19.684 -1.777 -38.588 1.00 0.00 H ATOM 954 HH21 ARG A 102 -21.474 -1.962 -38.530 1.00 0.00 H ATOM 955 H ARG A 102 -20.260 4.607 -37.994 1.00 0.00 H ATOM 956 N PRO A 103 -24.227 4.800 -38.125 1.00 13.16 N ATOM 957 CA PRO A 103 -25.252 4.591 -37.085 1.00 13.19 C ATOM 958 C PRO A 103 -25.996 3.259 -37.176 1.00 13.03 C ATOM 959 O PRO A 103 -26.162 2.711 -38.274 1.00 12.81 O ATOM 960 CB PRO A 103 -26.237 5.746 -37.304 1.00 13.32 C ATOM 961 CG PRO A 103 -25.473 6.778 -38.088 1.00 13.66 C ATOM 962 CD PRO A 103 -24.514 5.996 -38.946 1.00 13.44 C ATOM 963 N GLN A 104 -26.433 2.760 -36.024 1.00 13.13 N ATOM 964 CA GLN A 104 -27.279 1.565 -35.924 1.00 13.18 C ATOM 965 C GLN A 104 -28.029 1.602 -34.588 1.00 12.89 C ATOM 966 O GLN A 104 -27.449 1.952 -33.580 1.00 11.82 O ATOM 967 CB GLN A 104 -26.427 0.293 -36.030 1.00 14.01 C ATOM 968 CG GLN A 104 -27.211 -1.012 -35.988 1.00 14.48 C ATOM 969 CD GLN A 104 -26.415 -2.208 -36.517 1.00 15.30 C ATOM 970 OE1 GLN A 104 -25.665 -2.109 -37.491 1.00 15.75 O ATOM 971 NE2 GLN A 104 -26.618 -3.364 -35.896 1.00 15.96 N ATOM 972 HE22 GLN A 104 -27.258 -3.409 -35.077 1.00 0.00 H ATOM 973 HE21 GLN A 104 -26.137 -4.224 -36.228 1.00 0.00 H ATOM 974 H GLN A 104 -26.160 3.243 -35.145 1.00 0.00 H ATOM 975 N TRP A 105 -29.324 1.271 -34.608 1.00 12.56 N ATOM 976 CA TRP A 105 -30.108 1.129 -33.398 1.00 12.66 C ATOM 977 C TRP A 105 -29.833 -0.211 -32.718 1.00 12.28 C ATOM 978 O TRP A 105 -29.668 -1.237 -33.381 1.00 12.23 O ATOM 979 CB TRP A 105 -31.611 1.218 -33.698 1.00 13.07 C ATOM 980 CG TRP A 105 -32.098 2.583 -34.073 1.00 13.30 C ATOM 981 CD1 TRP A 105 -32.393 3.027 -35.328 1.00 13.47 C ATOM 982 CD2 TRP A 105 -32.406 3.663 -33.187 1.00 13.48 C ATOM 983 NE1 TRP A 105 -32.828 4.311 -35.279 1.00 13.45 N ATOM 984 CE2 TRP A 105 -32.852 4.731 -33.980 1.00 13.54 C ATOM 985 CE3 TRP A 105 -32.332 3.836 -31.801 1.00 13.53 C ATOM 986 CZ2 TRP A 105 -33.215 5.972 -33.437 1.00 14.10 C ATOM 987 CZ3 TRP A 105 -32.700 5.057 -31.263 1.00 13.90 C ATOM 988 CH2 TRP A 105 -33.128 6.114 -32.081 1.00 13.87 C ATOM 989 HE1 TRP A 105 -33.101 4.885 -36.102 1.00 0.00 H ATOM 990 H TRP A 105 -29.786 1.109 -35.526 1.00 0.00 H ATOM 991 N PHE A 106 -29.798 -0.189 -31.392 1.00 12.26 N ATOM 992 CA PHE A 106 -29.709 -1.396 -30.594 1.00 12.23 C ATOM 993 C PHE A 106 -30.780 -1.377 -29.528 1.00 12.71 C ATOM 994 O PHE A 106 -30.971 -0.374 -28.834 1.00 12.67 O ATOM 995 CB PHE A 106 -28.340 -1.524 -29.935 1.00 11.87 C ATOM 996 CG PHE A 106 -27.228 -1.716 -30.907 1.00 11.73 C ATOM 997 CD1 PHE A 106 -26.587 -0.617 -31.486 1.00 11.85 C ATOM 998 CD2 PHE A 106 -26.812 -2.982 -31.254 1.00 11.68 C ATOM 999 CE1 PHE A 106 -25.562 -0.790 -32.404 1.00 11.36 C ATOM 1000 CE2 PHE A 106 -25.773 -3.160 -32.161 1.00 11.57 C ATOM 1001 CZ PHE A 106 -25.157 -2.072 -32.740 1.00 11.52 C ATOM 1002 H PHE A 106 -29.836 0.730 -30.906 1.00 0.00 H ATOM 1003 N ASP A 107 -31.473 -2.497 -29.383 1.00 13.20 N ATOM 1004 CA ASP A 107 -32.341 -2.702 -28.238 1.00 14.24 C ATOM 1005 C ASP A 107 -31.503 -2.664 -26.976 1.00 14.71 C ATOM 1006 O ASP A 107 -30.341 -3.101 -26.961 1.00 13.59 O ATOM 1007 CB ASP A 107 -33.057 -4.061 -28.303 1.00 15.22 C ATOM 1008 CG ASP A 107 -34.107 -4.141 -29.401 1.00 16.12 C ATOM 1009 OD1 ASP A 107 -34.540 -3.113 -29.949 1.00 16.53 O ATOM 1010 OD2 ASP A 107 -34.496 -5.280 -29.726 1.00 17.96 O ATOM 1011 H ASP A 107 -31.393 -3.243 -30.103 1.00 0.00 H ATOM 1012 N ILE A 108 -32.113 -2.188 -25.900 1.00 15.70 N ATOM 1013 CA ILE A 108 -31.415 -2.020 -24.632 1.00 17.72 C ATOM 1014 C ILE A 108 -30.825 -3.332 -24.089 1.00 17.61 C ATOM 1015 O ILE A 108 -29.727 -3.325 -23.535 1.00 18.61 O ATOM 1016 CB ILE A 108 -32.329 -1.314 -23.614 1.00 20.45 C ATOM 1017 CG1 ILE A 108 -32.408 0.167 -23.986 1.00 21.82 C ATOM 1018 CG2 ILE A 108 -31.792 -1.477 -22.207 1.00 22.69 C ATOM 1019 CD1 ILE A 108 -33.567 0.909 -23.354 1.00 24.18 C ATOM 1020 H ILE A 108 -33.118 -1.927 -25.962 1.00 0.00 H ATOM 1021 N ASP A 109 -31.486 -4.463 -24.328 1.00 16.27 N ATOM 1022 CA ASP A 109 -30.909 -5.759 -23.925 1.00 16.59 C ATOM 1023 C ASP A 109 -29.901 -6.325 -24.933 1.00 16.56 C ATOM 1024 O ASP A 109 -29.387 -7.410 -24.717 1.00 16.26 O ATOM 1025 CB ASP A 109 -32.003 -6.796 -23.608 1.00 16.41 C ATOM 1026 CG ASP A 109 -32.907 -7.099 -24.800 1.00 17.33 C ATOM 1027 OD1 ASP A 109 -32.739 -6.493 -25.883 1.00 17.01 O ATOM 1028 OD2 ASP A 109 -33.795 -7.961 -24.650 1.00 17.82 O ATOM 1029 H ASP A 109 -32.412 -4.432 -24.800 1.00 0.00 H ATOM 1030 N LYS A 110 -29.608 -5.597 -26.012 1.00 16.21 N ATOM 1031 CA LYS A 110 -28.627 -6.041 -27.016 1.00 16.95 C ATOM 1032 C LYS A 110 -27.450 -5.067 -27.255 1.00 15.48 C ATOM 1033 O LYS A 110 -26.761 -5.170 -28.270 1.00 14.00 O ATOM 1034 CB LYS A 110 -29.324 -6.274 -28.357 1.00 18.49 C ATOM 1035 CG LYS A 110 -30.430 -7.328 -28.314 1.00 20.84 C ATOM 1036 CD LYS A 110 -30.463 -8.164 -29.590 1.00 23.44 C ATOM 1037 CE LYS A 110 -31.881 -8.569 -29.966 1.00 25.79 C ATOM 1038 NZ LYS A 110 -32.643 -9.084 -28.796 1.00 26.42 N ATOM 1039 HZ1 LYS A 110 -32.158 -9.919 -28.408 1.00 0.00 H ATOM 1040 HZ2 LYS A 110 -32.699 -8.344 -28.067 1.00 0.00 H ATOM 1041 HZ3 LYS A 110 -33.603 -9.348 -29.098 1.00 0.00 H ATOM 1042 H LYS A 110 -30.089 -4.685 -26.148 1.00 0.00 H ATOM 1043 N ILE A 111 -27.212 -4.149 -26.324 1.00 14.38 N ATOM 1044 CA ILE A 111 -26.125 -3.160 -26.477 1.00 14.00 C ATOM 1045 C ILE A 111 -24.769 -3.887 -26.550 1.00 13.20 C ATOM 1046 O ILE A 111 -24.476 -4.734 -25.709 1.00 12.58 O ATOM 1047 CB ILE A 111 -26.172 -2.118 -25.330 1.00 14.51 C ATOM 1048 CG1 ILE A 111 -27.427 -1.243 -25.498 1.00 15.28 C ATOM 1049 CG2 ILE A 111 -24.944 -1.218 -25.325 1.00 14.10 C ATOM 1050 CD1 ILE A 111 -27.839 -0.508 -24.246 1.00 16.03 C ATOM 1051 H ILE A 111 -27.804 -4.126 -25.469 1.00 0.00 H ATOM 1052 N PRO A 112 -23.942 -3.569 -27.562 1.00 12.46 N ATOM 1053 CA PRO A 112 -22.728 -4.360 -27.793 1.00 12.05 C ATOM 1054 C PRO A 112 -21.530 -3.887 -26.957 1.00 11.72 C ATOM 1055 O PRO A 112 -20.491 -3.498 -27.510 1.00 11.61 O ATOM 1056 CB PRO A 112 -22.488 -4.149 -29.291 1.00 12.02 C ATOM 1057 CG PRO A 112 -22.946 -2.750 -29.527 1.00 12.14 C ATOM 1058 CD PRO A 112 -24.157 -2.586 -28.645 1.00 12.23 C ATOM 1059 N PHE A 113 -21.664 -3.972 -25.635 1.00 11.74 N ATOM 1060 CA PHE A 113 -20.675 -3.433 -24.685 1.00 11.40 C ATOM 1061 C PHE A 113 -19.262 -3.961 -24.902 1.00 11.58 C ATOM 1062 O PHE A 113 -18.301 -3.262 -24.616 1.00 11.16 O ATOM 1063 CB PHE A 113 -21.098 -3.703 -23.227 1.00 11.29 C ATOM 1064 CG PHE A 113 -22.280 -2.889 -22.777 1.00 11.11 C ATOM 1065 CD1 PHE A 113 -22.198 -1.492 -22.697 1.00 11.29 C ATOM 1066 CD2 PHE A 113 -23.467 -3.507 -22.413 1.00 11.14 C ATOM 1067 CE1 PHE A 113 -23.286 -0.727 -22.291 1.00 11.10 C ATOM 1068 CE2 PHE A 113 -24.555 -2.755 -21.990 1.00 11.09 C ATOM 1069 CZ PHE A 113 -24.464 -1.363 -21.930 1.00 11.21 C ATOM 1070 H PHE A 113 -22.509 -4.443 -25.254 1.00 0.00 H ATOM 1071 N SER A 114 -19.135 -5.193 -25.389 1.00 11.87 N ATOM 1072 CA SER A 114 -17.805 -5.785 -25.608 1.00 12.49 C ATOM 1073 C SER A 114 -17.046 -5.123 -26.753 1.00 12.17 C ATOM 1074 O SER A 114 -15.835 -5.312 -26.871 1.00 12.47 O ATOM 1075 CB SER A 114 -17.928 -7.301 -25.851 1.00 13.23 C ATOM 1076 OG SER A 114 -18.706 -7.578 -27.014 1.00 14.67 O ATOM 1077 HG SER A 114 -19.615 -7.202 -26.899 1.00 0.00 H ATOM 1078 H SER A 114 -19.986 -5.745 -25.618 1.00 0.00 H ATOM 1079 N GLN A 115 -17.746 -4.367 -27.605 1.00 11.72 N ATOM 1080 CA GLN A 115 -17.103 -3.591 -28.657 1.00 11.97 C ATOM 1081 C GLN A 115 -17.368 -2.079 -28.506 1.00 11.30 C ATOM 1082 O GLN A 115 -17.531 -1.366 -29.493 1.00 11.00 O ATOM 1083 CB GLN A 115 -17.538 -4.101 -30.032 1.00 12.44 C ATOM 1084 CG GLN A 115 -17.227 -5.591 -30.251 1.00 13.38 C ATOM 1085 CD GLN A 115 -15.744 -5.914 -30.134 1.00 14.26 C ATOM 1086 OE1 GLN A 115 -14.875 -5.061 -30.395 1.00 15.18 O ATOM 1087 NE2 GLN A 115 -15.439 -7.159 -29.758 1.00 14.89 N ATOM 1088 HE22 GLN A 115 -16.197 -7.840 -29.550 1.00 0.00 H ATOM 1089 HE21 GLN A 115 -14.443 -7.448 -29.674 1.00 0.00 H ATOM 1090 H GLN A 115 -18.781 -4.332 -27.514 1.00 0.00 H ATOM 1091 N MET A 116 -17.404 -1.631 -27.256 1.00 11.15 N ATOM 1092 CA MET A 116 -17.568 -0.235 -26.870 1.00 10.87 C ATOM 1093 C MET A 116 -16.432 0.112 -25.925 1.00 10.87 C ATOM 1094 O MET A 116 -15.694 -0.778 -25.478 1.00 10.94 O ATOM 1095 CB MET A 116 -18.902 -0.049 -26.171 1.00 11.06 C ATOM 1096 CG MET A 116 -20.074 -0.170 -27.134 1.00 11.33 C ATOM 1097 SD MET A 116 -21.718 -0.373 -26.466 1.00 11.41 S ATOM 1098 CE MET A 116 -22.096 1.219 -25.779 1.00 11.00 C ATOM 1099 H MET A 116 -17.308 -2.331 -26.493 1.00 0.00 H ATOM 1100 N TRP A 117 -16.272 1.385 -25.594 1.00 10.73 N ATOM 1101 CA TRP A 117 -15.289 1.737 -24.555 1.00 10.97 C ATOM 1102 C TRP A 117 -15.616 0.979 -23.264 1.00 10.46 C ATOM 1103 O TRP A 117 -16.776 0.782 -22.928 1.00 10.05 O ATOM 1104 CB TRP A 117 -15.262 3.241 -24.308 1.00 10.89 C ATOM 1105 CG TRP A 117 -14.530 4.001 -25.360 1.00 11.30 C ATOM 1106 CD1 TRP A 117 -15.076 4.759 -26.362 1.00 11.26 C ATOM 1107 CD2 TRP A 117 -13.102 4.085 -25.525 1.00 11.57 C ATOM 1108 NE1 TRP A 117 -14.082 5.302 -27.140 1.00 11.53 N ATOM 1109 CE2 TRP A 117 -12.861 4.899 -26.653 1.00 11.67 C ATOM 1110 CE3 TRP A 117 -12.010 3.533 -24.843 1.00 11.70 C ATOM 1111 CZ2 TRP A 117 -11.569 5.197 -27.099 1.00 11.94 C ATOM 1112 CZ3 TRP A 117 -10.719 3.824 -25.296 1.00 11.74 C ATOM 1113 CH2 TRP A 117 -10.515 4.649 -26.415 1.00 11.83 C ATOM 1114 HE1 TRP A 117 -14.230 5.919 -27.964 1.00 0.00 H ATOM 1115 H TRP A 117 -16.833 2.126 -26.061 1.00 0.00 H ATOM 1116 N ALA A 118 -14.593 0.553 -22.545 1.00 10.78 N ATOM 1117 CA ALA A 118 -14.781 -0.359 -21.395 1.00 10.89 C ATOM 1118 C ALA A 118 -15.677 0.209 -20.316 1.00 10.78 C ATOM 1119 O ALA A 118 -16.347 -0.547 -19.602 1.00 10.82 O ATOM 1120 CB ALA A 118 -13.435 -0.739 -20.794 1.00 11.28 C ATOM 1121 H ALA A 118 -13.633 0.866 -22.793 1.00 0.00 H ATOM 1122 N ASP A 119 -15.690 1.537 -20.191 1.00 10.33 N ATOM 1123 CA ASP A 119 -16.487 2.213 -19.169 1.00 10.34 C ATOM 1124 C ASP A 119 -18.000 2.185 -19.388 1.00 10.29 C ATOM 1125 O ASP A 119 -18.757 2.308 -18.427 1.00 10.23 O ATOM 1126 CB ASP A 119 -16.046 3.675 -19.013 1.00 10.32 C ATOM 1127 CG ASP A 119 -15.873 4.395 -20.357 1.00 10.16 C ATOM 1128 OD1 ASP A 119 -14.899 4.081 -21.064 1.00 9.24 O ATOM 1129 OD2 ASP A 119 -16.697 5.281 -20.677 1.00 10.22 O ATOM 1130 H ASP A 119 -15.115 2.110 -20.841 1.00 0.00 H ATOM 1131 N ASP A 120 -18.446 2.034 -20.633 1.00 10.59 N ATOM 1132 CA ASP A 120 -19.875 2.243 -20.974 1.00 10.58 C ATOM 1133 C ASP A 120 -20.792 1.313 -20.179 1.00 10.64 C ATOM 1134 O ASP A 120 -21.855 1.718 -19.716 1.00 9.87 O ATOM 1135 CB ASP A 120 -20.128 2.031 -22.473 1.00 10.86 C ATOM 1136 CG ASP A 120 -19.472 3.087 -23.347 1.00 10.95 C ATOM 1137 OD1 ASP A 120 -18.573 3.806 -22.866 1.00 11.20 O ATOM 1138 OD2 ASP A 120 -19.860 3.205 -24.533 1.00 11.79 O ATOM 1139 H ASP A 120 -17.778 1.764 -21.383 1.00 0.00 H ATOM 1140 N ILE A 121 -20.380 0.057 -20.045 1.00 11.21 N ATOM 1141 CA ILE A 121 -21.184 -0.950 -19.330 1.00 11.66 C ATOM 1142 C ILE A 121 -21.485 -0.543 -17.888 1.00 11.73 C ATOM 1143 O ILE A 121 -22.550 -0.848 -17.373 1.00 11.51 O ATOM 1144 CB ILE A 121 -20.538 -2.355 -19.408 1.00 11.84 C ATOM 1145 CG1 ILE A 121 -21.516 -3.435 -18.930 1.00 11.99 C ATOM 1146 CG2 ILE A 121 -19.221 -2.416 -18.635 1.00 12.26 C ATOM 1147 CD1 ILE A 121 -21.165 -4.818 -19.453 1.00 12.38 C ATOM 1148 H ILE A 121 -19.466 -0.223 -20.455 1.00 0.00 H ATOM 1149 N LEU A 122 -20.581 0.220 -17.272 1.00 12.47 N ATOM 1150 CA LEU A 122 -20.748 0.673 -15.887 1.00 12.51 C ATOM 1151 C LEU A 122 -21.655 1.887 -15.708 1.00 12.47 C ATOM 1152 O LEU A 122 -22.416 1.939 -14.729 1.00 12.32 O ATOM 1153 CB LEU A 122 -19.373 0.932 -15.239 1.00 12.96 C ATOM 1154 CG LEU A 122 -18.461 -0.289 -15.201 1.00 13.83 C ATOM 1155 CD1 LEU A 122 -17.083 0.068 -14.660 1.00 14.35 C ATOM 1156 CD2 LEU A 122 -19.077 -1.400 -14.363 1.00 14.29 C ATOM 1157 H LEU A 122 -19.727 0.504 -17.793 1.00 0.00 H ATOM 1158 N TRP A 123 -21.594 2.865 -16.618 1.00 12.02 N ATOM 1159 CA TRP A 123 -22.449 4.063 -16.482 1.00 11.93 C ATOM 1160 C TRP A 123 -23.730 4.058 -17.303 1.00 11.88 C ATOM 1161 O TRP A 123 -24.604 4.866 -17.046 1.00 11.48 O ATOM 1162 CB TRP A 123 -21.677 5.367 -16.743 1.00 11.99 C ATOM 1163 CG TRP A 123 -21.035 5.526 -18.096 1.00 11.86 C ATOM 1164 CD1 TRP A 123 -19.706 5.317 -18.401 1.00 11.72 C ATOM 1165 CD2 TRP A 123 -21.657 5.972 -19.314 1.00 11.60 C ATOM 1166 NE1 TRP A 123 -19.479 5.585 -19.720 1.00 11.66 N ATOM 1167 CE2 TRP A 123 -20.652 5.999 -20.305 1.00 11.78 C ATOM 1168 CE3 TRP A 123 -22.953 6.376 -19.655 1.00 11.67 C ATOM 1169 CZ2 TRP A 123 -20.916 6.374 -21.634 1.00 11.84 C ATOM 1170 CZ3 TRP A 123 -23.220 6.756 -20.970 1.00 11.31 C ATOM 1171 CH2 TRP A 123 -22.202 6.754 -21.943 1.00 11.66 C ATOM 1172 HE1 TRP A 123 -18.564 5.491 -20.205 1.00 0.00 H ATOM 1173 H TRP A 123 -20.943 2.782 -17.424 1.00 0.00 H ATOM 1174 N PHE A 124 -23.842 3.166 -18.289 1.00 12.19 N ATOM 1175 CA PHE A 124 -25.055 3.096 -19.101 1.00 12.57 C ATOM 1176 C PHE A 124 -26.352 2.965 -18.288 1.00 12.63 C ATOM 1177 O PHE A 124 -27.328 3.638 -18.603 1.00 12.62 O ATOM 1178 CB PHE A 124 -24.978 1.987 -20.161 1.00 12.47 C ATOM 1179 CG PHE A 124 -24.862 2.509 -21.563 1.00 12.58 C ATOM 1180 CD1 PHE A 124 -23.790 3.319 -21.927 1.00 12.72 C ATOM 1181 CD2 PHE A 124 -25.815 2.191 -22.526 1.00 12.71 C ATOM 1182 CE1 PHE A 124 -23.688 3.828 -23.212 1.00 12.78 C ATOM 1183 CE2 PHE A 124 -25.700 2.670 -23.821 1.00 12.89 C ATOM 1184 CZ PHE A 124 -24.646 3.502 -24.165 1.00 12.82 C ATOM 1185 H PHE A 124 -23.056 2.512 -18.482 1.00 0.00 H ATOM 1186 N PRO A 125 -26.367 2.117 -17.240 1.00 13.74 N ATOM 1187 CA PRO A 125 -27.617 1.990 -16.458 1.00 14.21 C ATOM 1188 C PRO A 125 -28.103 3.291 -15.836 1.00 14.43 C ATOM 1189 O PRO A 125 -29.306 3.545 -15.837 1.00 15.30 O ATOM 1190 CB PRO A 125 -27.266 0.941 -15.403 1.00 14.16 C ATOM 1191 CG PRO A 125 -26.238 0.100 -16.075 1.00 13.89 C ATOM 1192 CD PRO A 125 -25.390 1.100 -16.831 1.00 13.86 C ATOM 1193 N LEU A 126 -27.190 4.136 -15.368 1.00 14.44 N ATOM 1194 CA LEU A 126 -27.587 5.430 -14.827 1.00 14.72 C ATOM 1195 C LEU A 126 -28.186 6.334 -15.918 1.00 14.89 C ATOM 1196 O LEU A 126 -29.213 6.993 -15.697 1.00 14.06 O ATOM 1197 CB LEU A 126 -26.403 6.116 -14.145 1.00 14.85 C ATOM 1198 CG LEU A 126 -25.898 5.396 -12.890 1.00 15.38 C ATOM 1199 CD1 LEU A 126 -24.526 5.906 -12.482 1.00 15.94 C ATOM 1200 CD2 LEU A 126 -26.879 5.554 -11.741 1.00 15.91 C ATOM 1201 H LEU A 126 -26.184 3.872 -15.388 1.00 0.00 H ATOM 1202 N MET A 127 -27.521 6.382 -17.077 1.00 14.67 N ATOM 1203 CA MET A 127 -28.011 7.142 -18.219 1.00 14.94 C ATOM 1204 C MET A 127 -29.410 6.686 -18.629 1.00 15.53 C ATOM 1205 O MET A 127 -30.300 7.513 -18.847 1.00 16.60 O ATOM 1206 CB MET A 127 -27.033 7.021 -19.393 1.00 14.61 C ATOM 1207 CG MET A 127 -27.441 7.792 -20.638 1.00 14.47 C ATOM 1208 SD MET A 127 -28.558 6.879 -21.731 1.00 14.47 S ATOM 1209 CE MET A 127 -27.410 5.635 -22.319 1.00 14.98 C ATOM 1210 H MET A 127 -26.626 5.860 -17.166 1.00 0.00 H ATOM 1211 N LEU A 128 -29.611 5.376 -18.723 1.00 16.35 N ATOM 1212 CA LEU A 128 -30.890 4.829 -19.160 1.00 17.01 C ATOM 1213 C LEU A 128 -32.016 5.111 -18.186 1.00 17.67 C ATOM 1214 O LEU A 128 -33.158 5.253 -18.605 1.00 17.05 O ATOM 1215 CB LEU A 128 -30.773 3.321 -19.402 1.00 17.16 C ATOM 1216 CG LEU A 128 -29.924 2.941 -20.621 1.00 17.02 C ATOM 1217 CD1 LEU A 128 -29.702 1.437 -20.622 1.00 17.06 C ATOM 1218 CD2 LEU A 128 -30.558 3.433 -21.932 1.00 16.84 C ATOM 1219 H LEU A 128 -28.837 4.725 -18.479 1.00 0.00 H ATOM 1220 N GLN A 129 -31.694 5.193 -16.893 1.00 19.19 N ATOM 1221 CA GLN A 129 -32.690 5.504 -15.846 1.00 19.71 C ATOM 1222 C GLN A 129 -32.835 7.002 -15.572 1.00 18.51 C ATOM 1223 O GLN A 129 -33.503 7.383 -14.618 1.00 16.46 O ATOM 1224 CB GLN A 129 -32.311 4.793 -14.544 1.00 22.17 C ATOM 1225 CG GLN A 129 -32.479 3.285 -14.612 1.00 24.61 C ATOM 1226 CD GLN A 129 -31.691 2.557 -13.539 1.00 27.87 C ATOM 1227 OE1 GLN A 129 -31.607 3.002 -12.393 1.00 28.80 O ATOM 1228 NE2 GLN A 129 -31.104 1.426 -13.909 1.00 31.56 N ATOM 1229 HE22 GLN A 129 -31.200 1.086 -14.887 1.00 0.00 H ATOM 1230 HE21 GLN A 129 -30.548 0.880 -13.221 1.00 0.00 H ATOM 1231 H GLN A 129 -30.706 5.032 -16.612 1.00 0.00 H ATOM 1232 N LYS A 130 -32.194 7.844 -16.396 1.00 18.24 N ATOM 1233 CA LYS A 130 -32.222 9.298 -16.228 1.00 18.35 C ATOM 1234 C LYS A 130 -31.754 9.750 -14.832 1.00 18.28 C ATOM 1235 O LYS A 130 -32.301 10.693 -14.261 1.00 17.55 O ATOM 1236 CB LYS A 130 -33.632 9.847 -16.512 1.00 19.20 C ATOM 1237 CG LYS A 130 -34.175 9.505 -17.891 1.00 20.12 C ATOM 1238 CD LYS A 130 -35.528 10.155 -18.127 1.00 21.86 C ATOM 1239 CE LYS A 130 -36.059 9.850 -19.519 1.00 23.42 C ATOM 1240 NZ LYS A 130 -37.469 10.317 -19.689 1.00 24.71 N ATOM 1241 HZ1 LYS A 130 -38.077 9.839 -18.994 1.00 0.00 H ATOM 1242 HZ2 LYS A 130 -37.513 11.345 -19.540 1.00 0.00 H ATOM 1243 HZ3 LYS A 130 -37.794 10.091 -20.651 1.00 0.00 H ATOM 1244 H LYS A 130 -31.653 7.446 -17.190 1.00 0.00 H ATOM 1245 N LYS A 131 -30.743 9.076 -14.290 1.00 17.62 N ATOM 1246 CA LYS A 131 -30.123 9.484 -13.034 1.00 17.77 C ATOM 1247 C LYS A 131 -28.782 10.204 -13.298 1.00 15.97 C ATOM 1248 O LYS A 131 -27.762 9.572 -13.638 1.00 16.81 O ATOM 1249 CB LYS A 131 -29.911 8.267 -12.147 1.00 19.08 C ATOM 1250 CG LYS A 131 -31.220 7.652 -11.672 1.00 20.47 C ATOM 1251 CD LYS A 131 -30.974 6.328 -10.974 1.00 22.83 C ATOM 1252 CE LYS A 131 -32.274 5.759 -10.402 1.00 24.94 C ATOM 1253 NZ LYS A 131 -32.026 4.355 -9.972 1.00 26.91 N ATOM 1254 HZ1 LYS A 131 -31.721 3.791 -10.791 1.00 0.00 H ATOM 1255 HZ2 LYS A 131 -31.282 4.343 -9.245 1.00 0.00 H ATOM 1256 HZ3 LYS A 131 -32.902 3.954 -9.580 1.00 0.00 H ATOM 1257 H LYS A 131 -30.383 8.231 -14.778 1.00 0.00 H ATOM 1258 N ARG A 132 -28.787 11.524 -13.143 1.00 13.93 N ATOM 1259 CA ARG A 132 -27.630 12.330 -13.503 1.00 12.61 C ATOM 1260 C ARG A 132 -26.446 11.966 -12.616 1.00 11.96 C ATOM 1261 O ARG A 132 -26.604 11.824 -11.400 1.00 11.39 O ATOM 1262 CB ARG A 132 -27.955 13.819 -13.418 1.00 12.89 C ATOM 1263 CG ARG A 132 -26.790 14.691 -13.813 1.00 13.42 C ATOM 1264 CD ARG A 132 -27.182 16.122 -14.107 1.00 13.91 C ATOM 1265 NE ARG A 132 -25.992 16.911 -14.419 1.00 13.96 N ATOM 1266 CZ ARG A 132 -25.997 18.197 -14.750 1.00 14.20 C ATOM 1267 NH1 ARG A 132 -27.135 18.886 -14.828 1.00 14.20 N ATOM 1268 NH2 ARG A 132 -24.847 18.812 -14.982 1.00 14.53 N ATOM 1269 HE ARG A 132 -25.071 16.429 -14.379 1.00 0.00 H ATOM 1270 HH12 ARG A 132 -27.117 19.893 -15.089 1.00 0.00 H ATOM 1271 HH11 ARG A 132 -28.042 18.417 -14.628 1.00 0.00 H ATOM 1272 HH22 ARG A 132 -24.839 19.819 -15.242 1.00 0.00 H ATOM 1273 HH21 ARG A 132 -23.952 18.288 -14.904 1.00 0.00 H ATOM 1274 H ARG A 132 -29.633 11.989 -12.757 1.00 0.00 H ATOM 1275 N PHE A 133 -25.273 11.816 -13.234 1.00 11.13 N ATOM 1276 CA PHE A 133 -24.102 11.270 -12.554 1.00 10.75 C ATOM 1277 C PHE A 133 -22.776 12.016 -12.797 1.00 10.67 C ATOM 1278 O PHE A 133 -22.654 12.875 -13.680 1.00 10.98 O ATOM 1279 CB PHE A 133 -23.936 9.768 -12.900 1.00 10.58 C ATOM 1280 CG PHE A 133 -23.715 9.495 -14.374 1.00 10.58 C ATOM 1281 CD1 PHE A 133 -24.790 9.272 -15.224 1.00 10.50 C ATOM 1282 CD2 PHE A 133 -22.437 9.484 -14.909 1.00 10.60 C ATOM 1283 CE1 PHE A 133 -24.598 9.065 -16.581 1.00 10.63 C ATOM 1284 CE2 PHE A 133 -22.233 9.250 -16.268 1.00 10.69 C ATOM 1285 CZ PHE A 133 -23.314 9.038 -17.103 1.00 10.60 C ATOM 1286 H PHE A 133 -25.190 12.097 -14.232 1.00 0.00 H ATOM 1287 N LEU A 134 -21.797 11.644 -11.975 1.00 10.95 N ATOM 1288 CA LEU A 134 -20.452 12.192 -11.989 1.00 11.58 C ATOM 1289 C LEU A 134 -19.486 11.050 -11.689 1.00 11.04 C ATOM 1290 O LEU A 134 -19.678 10.319 -10.705 1.00 11.07 O ATOM 1291 CB LEU A 134 -20.317 13.270 -10.920 1.00 11.84 C ATOM 1292 CG LEU A 134 -18.973 14.000 -10.786 1.00 12.32 C ATOM 1293 CD1 LEU A 134 -18.583 14.751 -12.047 1.00 12.25 C ATOM 1294 CD2 LEU A 134 -19.017 14.953 -9.599 1.00 12.72 C ATOM 1295 H LEU A 134 -22.011 10.908 -11.272 1.00 0.00 H ATOM 1296 N GLY A 135 -18.456 10.892 -12.519 1.00 10.83 N ATOM 1297 CA GLY A 135 -17.450 9.855 -12.300 1.00 10.61 C ATOM 1298 C GLY A 135 -16.011 10.226 -12.600 1.00 10.81 C ATOM 1299 O GLY A 135 -15.702 11.306 -13.110 1.00 10.81 O ATOM 1300 H GLY A 135 -18.366 11.521 -13.342 1.00 0.00 H ATOM 1301 N TYR A 136 -15.121 9.324 -12.197 1.00 11.37 N ATOM 1302 CA TYR A 136 -13.701 9.418 -12.449 1.00 11.73 C ATOM 1303 C TYR A 136 -13.190 8.005 -12.712 1.00 11.72 C ATOM 1304 O TYR A 136 -13.460 7.103 -11.929 1.00 11.48 O ATOM 1305 CB TYR A 136 -12.959 10.049 -11.264 1.00 12.34 C ATOM 1306 CG TYR A 136 -11.576 10.563 -11.627 1.00 12.72 C ATOM 1307 CD1 TYR A 136 -10.518 9.689 -11.858 1.00 13.23 C ATOM 1308 CD2 TYR A 136 -11.332 11.915 -11.757 1.00 13.14 C ATOM 1309 CE1 TYR A 136 -9.254 10.160 -12.205 1.00 13.38 C ATOM 1310 CE2 TYR A 136 -10.081 12.392 -12.111 1.00 13.40 C ATOM 1311 CZ TYR A 136 -9.054 11.513 -12.342 1.00 13.40 C ATOM 1312 OH TYR A 136 -7.809 12.002 -12.652 1.00 14.55 O ATOM 1313 HH TYR A 136 -7.184 11.247 -12.788 1.00 0.00 H ATOM 1314 H TYR A 136 -15.468 8.499 -11.667 1.00 0.00 H ATOM 1315 N PHE A 137 -12.511 7.812 -13.847 1.00 11.93 N ATOM 1316 CA PHE A 137 -11.999 6.505 -14.270 1.00 12.06 C ATOM 1317 C PHE A 137 -10.508 6.595 -14.567 1.00 12.32 C ATOM 1318 O PHE A 137 -10.064 7.548 -15.226 1.00 12.38 O ATOM 1319 CB PHE A 137 -12.703 6.057 -15.556 1.00 12.41 C ATOM 1320 CG PHE A 137 -14.063 5.431 -15.351 1.00 12.35 C ATOM 1321 CD1 PHE A 137 -15.110 6.146 -14.786 1.00 12.68 C ATOM 1322 CD2 PHE A 137 -14.305 4.130 -15.779 1.00 12.49 C ATOM 1323 CE1 PHE A 137 -16.367 5.562 -14.623 1.00 12.87 C ATOM 1324 CE2 PHE A 137 -15.557 3.552 -15.629 1.00 12.80 C ATOM 1325 CZ PHE A 137 -16.587 4.262 -15.053 1.00 12.49 C ATOM 1326 H PHE A 137 -12.337 8.632 -14.462 1.00 0.00 H ATOM 1327 N LYS A 138 -9.732 5.606 -14.109 1.00 12.76 N ATOM 1328 CA LYS A 138 -8.308 5.503 -14.434 1.00 13.20 C ATOM 1329 C LYS A 138 -8.095 4.262 -15.285 1.00 13.08 C ATOM 1330 O LYS A 138 -8.481 3.160 -14.881 1.00 12.32 O ATOM 1331 CB LYS A 138 -7.441 5.423 -13.165 1.00 14.06 C ATOM 1332 CG LYS A 138 -7.573 6.635 -12.261 1.00 15.17 C ATOM 1333 CD LYS A 138 -6.703 6.577 -11.005 1.00 16.24 C ATOM 1334 CE LYS A 138 -6.912 7.847 -10.175 1.00 17.22 C ATOM 1335 NZ LYS A 138 -6.077 7.921 -8.949 1.00 18.51 N ATOM 1336 HZ1 LYS A 138 -6.298 7.114 -8.331 1.00 0.00 H ATOM 1337 HZ2 LYS A 138 -5.072 7.892 -9.214 1.00 0.00 H ATOM 1338 HZ3 LYS A 138 -6.279 8.809 -8.447 1.00 0.00 H ATOM 1339 H LYS A 138 -10.158 4.881 -13.497 1.00 0.00 H ATOM 1340 N PHE A 139 -7.479 4.458 -16.447 1.00 13.29 N ATOM 1341 CA PHE A 139 -7.248 3.390 -17.428 1.00 14.11 C ATOM 1342 C PHE A 139 -5.781 2.994 -17.490 1.00 14.78 C ATOM 1343 O PHE A 139 -4.905 3.820 -17.300 1.00 14.79 O ATOM 1344 CB PHE A 139 -7.673 3.847 -18.822 1.00 13.84 C ATOM 1345 CG PHE A 139 -9.111 3.563 -19.154 1.00 13.82 C ATOM 1346 CD1 PHE A 139 -10.136 4.253 -18.515 1.00 13.91 C ATOM 1347 CD2 PHE A 139 -9.443 2.635 -20.136 1.00 14.00 C ATOM 1348 CE1 PHE A 139 -11.467 4.009 -18.836 1.00 13.95 C ATOM 1349 CE2 PHE A 139 -10.771 2.383 -20.459 1.00 13.73 C ATOM 1350 CZ PHE A 139 -11.781 3.061 -19.802 1.00 13.95 C ATOM 1351 H PHE A 139 -7.144 5.416 -16.673 1.00 0.00 H ATOM 1352 N GLN A 140 -5.546 1.721 -17.789 1.00 16.15 N ATOM 1353 CA GLN A 140 -4.229 1.182 -18.090 1.00 17.37 C ATOM 1354 C GLN A 140 -4.301 0.841 -19.572 1.00 17.87 C ATOM 1355 O GLN A 140 -4.917 -0.142 -19.940 1.00 18.94 O ATOM 1356 CB GLN A 140 -3.988 -0.053 -17.222 1.00 18.55 C ATOM 1357 CG GLN A 140 -2.720 -0.850 -17.468 1.00 19.89 C ATOM 1358 CD GLN A 140 -2.662 -2.082 -16.561 1.00 21.00 C ATOM 1359 OE1 GLN A 140 -2.452 -1.962 -15.347 1.00 21.27 O ATOM 1360 NE2 GLN A 140 -2.857 -3.272 -17.145 1.00 19.92 N ATOM 1361 HE22 GLN A 140 -3.030 -3.327 -18.169 1.00 0.00 H ATOM 1362 HE21 GLN A 140 -2.835 -4.141 -16.574 1.00 0.00 H ATOM 1363 H GLN A 140 -6.355 1.068 -17.809 1.00 0.00 H ATOM 1364 N GLY A 141 -3.698 1.666 -20.425 1.00 19.03 N ATOM 1365 CA GLY A 141 -3.916 1.566 -21.864 1.00 19.38 C ATOM 1366 C GLY A 141 -5.381 1.873 -22.195 1.00 20.33 C ATOM 1367 O GLY A 141 -6.080 2.510 -21.405 1.00 18.79 O ATOM 1368 H GLY A 141 -3.057 2.398 -20.057 1.00 0.00 H ATOM 1369 N HIS A 142 -5.850 1.405 -23.346 1.00 20.68 N ATOM 1370 CA HIS A 142 -7.211 1.702 -23.810 1.00 22.19 C ATOM 1371 C HIS A 142 -8.274 0.717 -23.357 1.00 21.46 C ATOM 1372 O HIS A 142 -9.470 1.029 -23.436 1.00 21.34 O ATOM 1373 CB HIS A 142 -7.251 1.742 -25.340 1.00 24.51 C ATOM 1374 CG HIS A 142 -6.588 2.943 -25.921 1.00 26.33 C ATOM 1375 ND1 HIS A 142 -6.706 3.277 -27.252 1.00 29.41 N ATOM 1376 CD2 HIS A 142 -5.823 3.904 -25.353 1.00 27.62 C ATOM 1377 CE1 HIS A 142 -6.020 4.382 -27.486 1.00 29.00 C ATOM 1378 NE2 HIS A 142 -5.477 4.783 -26.350 1.00 29.25 N ATOM 1379 H HIS A 142 -5.235 0.810 -23.937 1.00 0.00 H ATOM 1380 N ASP A 143 -7.863 -0.464 -22.908 1.00 20.73 N ATOM 1381 CA ASP A 143 -8.815 -1.535 -22.705 1.00 22.30 C ATOM 1382 C ASP A 143 -8.957 -2.030 -21.267 1.00 19.60 C ATOM 1383 O ASP A 143 -9.770 -2.908 -21.033 1.00 19.55 O ATOM 1384 CB ASP A 143 -8.474 -2.716 -23.626 1.00 24.89 C ATOM 1385 CG ASP A 143 -8.462 -2.327 -25.095 1.00 27.55 C ATOM 1386 OD1 ASP A 143 -9.443 -1.699 -25.580 1.00 31.27 O ATOM 1387 OD2 ASP A 143 -7.463 -2.651 -25.765 1.00 31.30 O ATOM 1388 H ASP A 143 -6.855 -0.619 -22.702 1.00 0.00 H ATOM 1389 N VAL A 144 -8.181 -1.496 -20.326 1.00 16.74 N ATOM 1390 CA VAL A 144 -8.206 -1.981 -18.941 1.00 15.28 C ATOM 1391 C VAL A 144 -8.542 -0.843 -17.977 1.00 14.39 C ATOM 1392 O VAL A 144 -7.875 0.179 -17.951 1.00 13.78 O ATOM 1393 CB VAL A 144 -6.871 -2.647 -18.534 1.00 15.31 C ATOM 1394 CG1 VAL A 144 -6.888 -3.104 -17.076 1.00 14.83 C ATOM 1395 CG2 VAL A 144 -6.573 -3.845 -19.438 1.00 15.91 C ATOM 1396 H VAL A 144 -7.541 -0.716 -20.579 1.00 0.00 H ATOM 1397 N ILE A 145 -9.593 -1.037 -17.191 1.00 13.91 N ATOM 1398 CA ILE A 145 -9.949 -0.090 -16.151 1.00 13.96 C ATOM 1399 C ILE A 145 -9.247 -0.475 -14.857 1.00 14.29 C ATOM 1400 O ILE A 145 -9.448 -1.582 -14.330 1.00 14.03 O ATOM 1401 CB ILE A 145 -11.470 -0.047 -15.932 1.00 13.65 C ATOM 1402 CG1 ILE A 145 -12.155 0.437 -17.217 1.00 13.16 C ATOM 1403 CG2 ILE A 145 -11.800 0.860 -14.747 1.00 13.54 C ATOM 1404 CD1 ILE A 145 -13.660 0.424 -17.152 1.00 13.37 C ATOM 1405 H ILE A 145 -10.176 -1.888 -17.323 1.00 0.00 H ATOM 1406 N VAL A 146 -8.418 0.433 -14.345 1.00 15.05 N ATOM 1407 CA VAL A 146 -7.729 0.220 -13.062 1.00 16.20 C ATOM 1408 C VAL A 146 -8.561 0.731 -11.884 1.00 17.40 C ATOM 1409 O VAL A 146 -8.514 0.157 -10.810 1.00 18.24 O ATOM 1410 CB VAL A 146 -6.320 0.861 -13.073 1.00 17.17 C ATOM 1411 CG1 VAL A 146 -5.755 1.032 -11.673 1.00 17.74 C ATOM 1412 CG2 VAL A 146 -5.389 -0.002 -13.897 1.00 17.12 C ATOM 1413 H VAL A 146 -8.253 1.318 -14.867 1.00 0.00 H ATOM 1414 N GLU A 147 -9.313 1.813 -12.082 1.00 18.05 N ATOM 1415 CA GLU A 147 -10.193 2.338 -11.045 1.00 19.47 C ATOM 1416 C GLU A 147 -11.407 2.997 -11.688 1.00 17.82 C ATOM 1417 O GLU A 147 -11.287 3.669 -12.716 1.00 15.44 O ATOM 1418 CB GLU A 147 -9.427 3.358 -10.208 1.00 22.54 C ATOM 1419 CG GLU A 147 -10.044 3.692 -8.872 1.00 25.86 C ATOM 1420 CD GLU A 147 -9.377 4.915 -8.255 1.00 28.32 C ATOM 1421 OE1 GLU A 147 -8.145 5.029 -8.406 1.00 30.74 O ATOM 1422 OE2 GLU A 147 -10.064 5.747 -7.625 1.00 29.00 O ATOM 1423 H GLU A 147 -9.271 2.296 -13.002 1.00 0.00 H ATOM 1424 N HIS A 148 -12.578 2.752 -11.117 1.00 16.71 N ATOM 1425 CA HIS A 148 -13.811 3.386 -11.585 1.00 17.22 C ATOM 1426 C HIS A 148 -14.632 3.870 -10.386 1.00 16.50 C ATOM 1427 O HIS A 148 -14.833 3.127 -9.415 1.00 15.32 O ATOM 1428 CB HIS A 148 -14.627 2.455 -12.472 1.00 18.13 C ATOM 1429 CG HIS A 148 -15.002 1.155 -11.826 1.00 20.32 C ATOM 1430 ND1 HIS A 148 -16.136 1.005 -11.054 1.00 21.39 N ATOM 1431 CD2 HIS A 148 -14.417 -0.066 -11.875 1.00 22.76 C ATOM 1432 CE1 HIS A 148 -16.221 -0.243 -10.634 1.00 23.11 C ATOM 1433 NE2 HIS A 148 -15.193 -0.918 -11.120 1.00 23.71 N ATOM 1434 H HIS A 148 -12.622 2.091 -10.315 1.00 0.00 H ATOM 1435 N LYS A 149 -15.062 5.127 -10.460 1.00 15.92 N ATOM 1436 CA LYS A 149 -15.857 5.766 -9.425 1.00 16.29 C ATOM 1437 C LYS A 149 -17.032 6.479 -10.078 1.00 15.26 C ATOM 1438 O LYS A 149 -16.846 7.217 -11.047 1.00 14.51 O ATOM 1439 CB LYS A 149 -15.008 6.764 -8.647 1.00 17.50 C ATOM 1440 CG LYS A 149 -13.777 6.183 -7.965 1.00 19.42 C ATOM 1441 CD LYS A 149 -14.156 5.223 -6.848 1.00 20.81 C ATOM 1442 CE LYS A 149 -12.945 4.429 -6.388 1.00 22.73 C ATOM 1443 NZ LYS A 149 -13.373 3.432 -5.379 1.00 25.05 N ATOM 1444 HZ1 LYS A 149 -13.799 3.923 -4.567 1.00 0.00 H ATOM 1445 HZ2 LYS A 149 -14.072 2.790 -5.803 1.00 0.00 H ATOM 1446 HZ3 LYS A 149 -12.547 2.886 -5.061 1.00 0.00 H ATOM 1447 H LYS A 149 -14.816 5.682 -11.304 1.00 0.00 H ATOM 1448 N LEU A 150 -18.236 6.229 -9.559 1.00 15.12 N ATOM 1449 CA LEU A 150 -19.486 6.797 -10.085 1.00 15.01 C ATOM 1450 C LEU A 150 -20.444 7.112 -8.947 1.00 15.01 C ATOM 1451 O LEU A 150 -20.608 6.302 -8.022 1.00 14.97 O ATOM 1452 CB LEU A 150 -20.190 5.822 -11.020 1.00 15.68 C ATOM 1453 CG LEU A 150 -19.766 5.682 -12.477 1.00 16.31 C ATOM 1454 CD1 LEU A 150 -20.480 4.492 -13.105 1.00 16.64 C ATOM 1455 CD2 LEU A 150 -20.058 6.937 -13.286 1.00 16.24 C ATOM 1456 H LEU A 150 -18.293 5.596 -8.736 1.00 0.00 H ATOM 1457 N ASP A 151 -21.051 8.296 -9.009 1.00 14.08 N ATOM 1458 CA ASP A 151 -22.074 8.722 -8.064 1.00 14.17 C ATOM 1459 C ASP A 151 -23.194 9.429 -8.813 1.00 14.08 C ATOM 1460 O ASP A 151 -22.955 10.159 -9.785 1.00 13.47 O ATOM 1461 CB ASP A 151 -21.510 9.693 -7.008 1.00 14.18 C ATOM 1462 CG ASP A 151 -21.056 8.989 -5.732 1.00 14.17 C ATOM 1463 OD1 ASP A 151 -21.831 8.187 -5.160 1.00 13.83 O ATOM 1464 OD2 ASP A 151 -19.909 9.226 -5.311 1.00 14.53 O ATOM 1465 H ASP A 151 -20.781 8.950 -9.771 1.00 0.00 H ATOM 1466 N GLU A 152 -24.418 9.217 -8.349 1.00 13.96 N ATOM 1467 CA GLU A 152 -25.517 10.071 -8.729 1.00 14.01 C ATOM 1468 C GLU A 152 -25.291 11.411 -8.052 1.00 14.02 C ATOM 1469 O GLU A 152 -24.949 11.455 -6.859 1.00 14.19 O ATOM 1470 CB GLU A 152 -26.838 9.469 -8.278 1.00 14.65 C ATOM 1471 CG GLU A 152 -27.133 8.125 -8.911 1.00 15.13 C ATOM 1472 CD GLU A 152 -28.328 7.447 -8.284 1.00 16.81 C ATOM 1473 OE1 GLU A 152 -28.230 6.242 -8.005 1.00 18.92 O ATOM 1474 OE2 GLU A 152 -29.356 8.121 -8.065 1.00 18.56 O ATOM 1475 H GLU A 152 -24.589 8.422 -7.700 1.00 0.00 H ATOM 1476 N VAL A 153 -25.461 12.510 -8.793 1.00 13.58 N ATOM 1477 CA VAL A 153 -25.193 13.842 -8.223 1.00 13.75 C ATOM 1478 C VAL A 153 -26.126 14.177 -7.050 1.00 14.71 C ATOM 1479 O VAL A 153 -25.771 14.972 -6.184 1.00 14.52 O ATOM 1480 CB VAL A 153 -25.201 14.984 -9.278 1.00 13.48 C ATOM 1481 CG1 VAL A 153 -24.102 14.742 -10.333 1.00 13.43 C ATOM 1482 CG2 VAL A 153 -26.587 15.171 -9.908 1.00 13.36 C ATOM 1483 H VAL A 153 -25.784 12.425 -9.778 1.00 0.00 H ATOM 1484 N GLU A 154 -27.303 13.564 -7.032 1.00 15.90 N ATOM 1485 CA GLU A 154 -28.244 13.663 -5.918 1.00 17.95 C ATOM 1486 C GLU A 154 -27.612 13.244 -4.562 1.00 17.01 C ATOM 1487 O GLU A 154 -28.073 13.675 -3.508 1.00 16.46 O ATOM 1488 CB GLU A 154 -29.471 12.791 -6.260 1.00 20.50 C ATOM 1489 CG GLU A 154 -30.492 12.533 -5.167 1.00 23.77 C ATOM 1490 CD GLU A 154 -31.576 11.518 -5.555 1.00 27.01 C ATOM 1491 OE1 GLU A 154 -31.950 11.406 -6.742 1.00 27.90 O ATOM 1492 OE2 GLU A 154 -32.086 10.830 -4.645 1.00 30.58 O ATOM 1493 H GLU A 154 -27.569 12.983 -7.853 1.00 0.00 H ATOM 1494 N ASP A 155 -26.566 12.412 -4.599 1.00 16.24 N ATOM 1495 CA ASP A 155 -25.895 11.911 -3.381 1.00 15.95 C ATOM 1496 C ASP A 155 -24.668 12.742 -2.949 1.00 15.92 C ATOM 1497 O ASP A 155 -23.997 12.372 -1.964 1.00 14.38 O ATOM 1498 CB ASP A 155 -25.477 10.432 -3.575 1.00 15.46 C ATOM 1499 CG ASP A 155 -26.676 9.486 -3.707 1.00 15.71 C ATOM 1500 OD1 ASP A 155 -27.785 9.882 -3.329 1.00 16.23 O ATOM 1501 OD2 ASP A 155 -26.515 8.346 -4.186 1.00 15.81 O ATOM 1502 H ASP A 155 -26.209 12.104 -5.526 1.00 0.00 H ATOM 1503 N LEU A 156 -24.400 13.858 -3.647 1.00 15.59 N ATOM 1504 CA LEU A 156 -23.202 14.671 -3.409 1.00 16.97 C ATOM 1505 C LEU A 156 -23.502 16.056 -2.830 1.00 18.49 C ATOM 1506 O LEU A 156 -22.583 16.798 -2.494 1.00 19.94 O ATOM 1507 CB LEU A 156 -22.392 14.860 -4.705 1.00 16.57 C ATOM 1508 CG LEU A 156 -21.953 13.611 -5.478 1.00 16.03 C ATOM 1509 CD1 LEU A 156 -21.186 14.000 -6.724 1.00 15.59 C ATOM 1510 CD2 LEU A 156 -21.119 12.687 -4.594 1.00 15.91 C ATOM 1511 OXT LEU A 156 -24.626 16.511 -2.699 1.00 20.39 O ATOM 1512 H LEU A 156 -25.068 14.158 -4.385 1.00 0.00 H TER 1513 LEU A 156 HETATM 1514 O HOH 1 -33.993 -7.276 -28.272 1.00 23.76 O HETATM 1515 O HOH 2 -28.336 6.736 -4.633 1.00 41.25 O HETATM 1516 O HOH 3 -5.041 -1.723 -21.880 1.00 25.80 O HETATM 1517 O HOH 4 -22.773 1.201 -12.321 1.00 31.45 O HETATM 1518 O HOH 5 -30.378 10.209 -9.122 1.00 23.13 O HETATM 1519 O HOH 6 -1.367 -0.027 -14.042 1.00 32.67 O HETATM 1520 O HOH 7 -35.588 -8.757 -26.319 1.00 29.02 O HETATM 1521 O HOH 8 -34.386 15.477 -26.134 1.00 21.17 O HETATM 1522 O HOH 9 -31.157 21.886 -24.559 1.00 33.52 O HETATM 1523 O HOH 10 -24.303 23.872 -32.577 1.00 17.08 O HETATM 1524 O HOH 11 -23.002 20.934 -18.267 1.00 37.58 O HETATM 1525 O HOH 12 -11.547 11.171 -36.344 1.00 17.81 O HETATM 1526 O HOH 13 -18.138 2.580 -10.438 1.00 23.88 O HETATM 1527 O HOH 14 -39.734 5.690 -31.451 1.00 23.73 O HETATM 1528 O HOH 15 -24.362 7.745 -5.742 1.00 9.14 O HETATM 1529 O HOH 16 -30.358 14.220 -42.111 1.00 15.75 O HETATM 1530 O HOH 17 -19.191 1.483 -43.005 1.00 33.11 O HETATM 1531 O HOH 18 -14.053 -2.572 -30.757 1.00 21.29 O HETATM 1532 O HOH 19 -12.920 20.827 -18.051 1.00 26.65 O HETATM 1533 O HOH 20 -34.857 -0.150 -34.104 1.00 28.34 O HETATM 1534 O HOH 21 -11.939 0.190 -23.924 1.00 13.03 O HETATM 1535 O HOH 22 3.823 15.943 -19.697 1.00 29.95 O HETATM 1536 O HOH 23 -31.451 6.740 -7.167 1.00 33.86 O HETATM 1537 O HOH 24 -26.027 30.183 -30.851 1.00 38.76 O HETATM 1538 O HOH 25 -3.221 -3.696 -19.752 1.00 38.15 O HETATM 1539 O HOH 26 -31.381 16.661 -39.450 1.00 21.09 O HETATM 1540 O HOH 27 -2.702 8.611 -10.768 1.00 32.66 O HETATM 1541 O HOH 28 -11.639 20.303 -26.404 1.00 38.28 O HETATM 1542 O HOH 29 -17.200 -8.983 -28.860 1.00 15.61 O HETATM 1543 O HOH 30 -14.126 13.095 -44.529 1.00 15.58 O HETATM 1544 O HOH 31 -28.800 -3.741 -33.881 1.00 18.03 O HETATM 1545 O HOH 32 -4.146 0.703 -25.332 1.00 30.82 O HETATM 1546 O HOH 33 -31.033 0.647 -16.505 1.00 33.46 O HETATM 1547 O HOH 34 -36.649 3.558 -36.287 1.00 41.29 O HETATM 1548 O HOH 35 -11.284 -3.381 -13.438 1.00 16.33 O HETATM 1549 O HOH 36 -27.827 -5.121 -22.766 1.00 36.66 O HETATM 1550 O HOH 37 -2.098 4.125 -20.079 1.00 17.98 O HETATM 1551 O HOH 38 -25.095 -7.228 -28.926 1.00 27.30 O HETATM 1552 O HOH 39 -15.185 7.105 -29.384 1.00 13.62 O HETATM 1553 O HOH 40 -26.756 28.200 -28.841 1.00 30.43 O HETATM 1554 O HOH 41 -2.806 4.771 -22.926 1.00 40.39 O HETATM 1555 O HOH 42 -15.401 16.201 -13.652 1.00 16.10 O HETATM 1556 O HOH 43 -23.099 -1.976 -14.936 1.00 28.66 O HETATM 1557 O HOH 44 -25.797 -6.278 -23.859 1.00 21.62 O HETATM 1558 O HOH 45 -26.061 0.432 -39.822 1.00 30.10 O HETATM 1559 O HOH 46 -28.117 17.998 -33.969 1.00 12.19 O HETATM 1560 O HOH 47 -23.616 24.284 -14.700 1.00 43.91 O HETATM 1561 O HOH 48 -18.401 -1.387 -22.319 1.00 10.43 O HETATM 1562 O HOH 49 -4.016 10.881 -18.277 1.00 21.64 O HETATM 1563 O HOH 50 -17.923 3.514 -26.522 1.00 11.82 O HETATM 1564 O HOH 51 -31.215 12.822 -12.660 1.00 25.05 O HETATM 1565 O HOH 52 -22.276 14.803 -42.683 1.00 17.24 O HETATM 1566 O HOH 53 -26.572 8.599 -30.050 1.00 13.09 O HETATM 1567 O HOH 54 -21.782 4.914 -25.654 1.00 15.06 O HETATM 1568 O HOH 55 -26.150 3.881 -40.826 1.00 24.90 O HETATM 1569 O HOH 56 -25.511 26.357 -25.138 1.00 20.28 O HETATM 1570 O HOH 57 -30.050 9.025 -5.363 1.00 48.65 O HETATM 1571 O HOH 58 -24.792 -2.304 -18.260 1.00 16.45 O HETATM 1572 O HOH 59 -12.053 26.315 -33.636 1.00 44.73 O HETATM 1573 O HOH 60 -15.354 1.362 -7.280 1.00 29.83 O HETATM 1574 O HOH 61 -38.842 2.478 -29.830 1.00 21.45 O HETATM 1575 O HOH 62 -15.377 25.908 -24.490 1.00 34.96 O HETATM 1576 O HOH 63 -33.592 12.679 -20.403 1.00 29.75 O HETATM 1577 O HOH 64 -7.799 6.704 -6.134 1.00 33.04 O HETATM 1578 O HOH 65 -21.214 -7.362 -25.670 1.00 23.43 O HETATM 1579 O HOH 66 -25.181 2.656 -43.733 1.00 45.05 O HETATM 1580 O HOH 67 -15.853 3.723 -3.977 1.00 20.09 O HETATM 1581 O HOH 68 -24.719 11.319 -41.807 1.00 24.92 O HETATM 1582 O HOH 69 -21.586 5.327 -5.051 1.00 34.61 O HETATM 1583 O HOH 70 -27.137 17.775 -3.365 1.00 19.67 O HETATM 1584 O HOH 71 -15.095 -3.927 -33.893 1.00 34.68 O HETATM 1585 O HOH 72 -28.690 12.211 -9.430 1.00 16.15 O HETATM 1586 O HOH 73 -26.793 5.246 -44.180 1.00 36.09 O HETATM 1587 O HOH 74 -13.971 -2.549 -27.002 1.00 36.10 O HETATM 1588 O HOH 75 -23.079 -3.337 -37.996 1.00 28.01 O HETATM 1589 O HOH 76 -28.371 -2.825 -21.006 1.00 31.76 O HETATM 1590 O HOH 77 -7.371 7.422 -38.393 1.00 34.60 O HETATM 1591 O HOH 78 -34.979 5.564 -21.289 1.00 48.10 O HETATM 1592 O HOH 79 -11.183 -0.513 -31.331 1.00 40.74 O HETATM 1593 O HOH 80 -26.009 14.897 -0.680 1.00 38.48 O HETATM 1594 O HOH 81 -13.884 28.564 -24.349 1.00 31.14 O HETATM 1595 O HOH 82 -8.771 2.177 -29.032 1.00 46.04 O HETATM 1596 O HOH 83 -15.918 4.989 -31.063 1.00 19.31 O HETATM 1597 O HOH 84 -12.638 1.106 -8.670 1.00 25.63 O HETATM 1598 O HOH 85 -29.139 11.418 -1.190 1.00 29.15 O HETATM 1599 O HOH 86 -25.610 8.452 -46.047 1.00 34.11 O HETATM 1600 O HOH 87 -31.128 -4.598 -31.450 1.00 17.19 O HETATM 1601 O HOH 88 -20.651 30.514 -26.885 1.00 26.76 O HETATM 1602 O HOH 89 -32.655 13.165 -42.427 1.00 24.52 O HETATM 1603 O HOH 90 -24.879 13.869 -41.531 1.00 27.83 O HETATM 1604 O HOH 91 -37.986 13.791 -39.298 1.00 25.95 O HETATM 1605 O HOH 92 -19.106 7.572 -45.669 1.00 24.17 O HETATM 1606 O HOH 93 -29.933 19.611 -19.101 1.00 31.40 O HETATM 1607 O HOH 94 -34.335 5.087 -37.742 1.00 29.79 O HETATM 1608 O HOH 95 -1.631 9.625 -15.260 1.00 19.28 O HETATM 1609 O HOH 96 -16.089 19.102 -15.552 1.00 18.83 O HETATM 1610 O HOH 97 -29.457 16.317 -3.227 1.00 31.99 O HETATM 1611 O HOH 98 3.938 10.911 -20.683 1.00 40.40 O HETATM 1612 O HOH 99 -9.043 9.559 -41.576 1.00 31.55 O HETATM 1613 O HOH 100 -7.734 4.298 -30.918 1.00 24.60 O HETATM 1614 O HOH 101 -37.702 8.766 -26.190 1.00 41.19 O HETATM 1615 O HOH 102 -6.769 22.083 -22.522 1.00 31.32 O HETATM 1616 O HOH 103 -38.889 22.139 -38.384 1.00 36.41 O HETATM 1617 O HOH 104 0.534 8.466 -14.319 1.00 28.94 O HETATM 1618 O HOH 105 -15.287 -3.150 -23.629 1.00 28.37 O HETATM 1619 O HOH 106 -35.613 7.638 -37.462 1.00 34.09 O HETATM 1620 O HOH 107 -35.540 18.201 -33.464 1.00 40.18 O HETATM 1621 O HOH 108 -33.623 -1.466 -32.372 1.00 27.03 O HETATM 1622 O HOH 109 -26.586 -8.714 -24.543 1.00 34.15 O HETATM 1623 O HOH 110 -4.337 7.050 -24.553 1.00 42.07 O HETATM 1624 O HOH 111 -23.351 23.735 -22.262 1.00 23.69 O HETATM 1625 O HOH 112 -30.526 0.508 -37.418 1.00 14.66 O HETATM 1626 O HOH 113 -20.357 25.051 -21.544 1.00 23.86 O HETATM 1627 O HOH 114 -12.468 0.783 -3.843 1.00 40.96 O HETATM 1628 O HOH 115 -30.150 17.972 -14.227 1.00 36.02 O HETATM 1629 O HOH 116 -17.265 -1.749 -39.119 1.00 42.04 O HETATM 1630 O HOH 117 -38.546 7.137 -45.076 1.00 45.27 O HETATM 1631 O HOH 118 -2.769 12.737 -15.085 1.00 23.04 O HETATM 1632 O HOH 119 -13.939 0.658 -38.104 1.00 36.17 O HETATM 1633 O HOH 120 -17.948 3.613 -7.578 1.00 13.85 O HETATM 1634 O HOH 121 -35.819 3.078 -22.454 1.00 34.67 O HETATM 1635 O HOH 122 -16.915 25.590 -33.647 1.00 31.51 O HETATM 1636 O HOH 123 -17.256 -3.813 -21.405 1.00 18.10 O HETATM 1637 O HOH 124 -18.442 -6.408 -22.237 1.00 19.95 O HETATM 1638 O HOH 125 -25.540 25.486 -22.626 1.00 40.28 O HETATM 1639 O HOH 126 -3.622 13.090 -12.485 1.00 30.57 O HETATM 1640 O HOH 127 -16.167 0.739 -39.933 1.00 48.78 O HETATM 1641 O HOH 128 -32.507 -3.420 -33.449 1.00 29.22 O HETATM 1642 O HOH 129 -19.964 3.593 -5.635 1.00 34.67 O HETATM 1643 O HOH 130 -9.265 10.771 -38.188 1.00 25.81 O HETATM 1644 O HOH 131 -24.727 -0.279 -12.806 1.00 44.23 O HETATM 1645 O HOH 132 -8.295 12.267 -27.498 1.00 45.60 O HETATM 1646 O HOH 133 -19.274 30.546 -24.304 1.00 34.63 O HETATM 1647 O HOH 134 -16.824 30.225 -24.036 1.00 36.48 O HETATM 1648 O HOH 135 -27.149 -0.943 -19.508 1.00 20.03 O HETATM 1649 O HOH 136 -4.819 5.774 -30.080 1.00 41.13 O HETATM 1650 O HOH 137 -30.115 14.512 -9.666 1.00 30.85 O HETATM 1651 O HOH 138 -9.868 13.060 -29.239 1.00 34.60 O HETATM 1652 O HOH 139 -7.335 18.532 -14.792 1.00 35.38 O HETATM 1653 O HOH 140 -20.951 -7.374 -22.488 1.00 31.37 O HETATM 1654 O HOH 141 -25.724 29.127 -24.280 1.00 30.92 O HETATM 1655 O HOH 142 -23.228 -8.281 -27.295 1.00 28.34 O HETATM 1656 O HOH 143 -20.275 1.060 -11.042 1.00 33.54 O HETATM 1657 O HOH 144 0.071 18.324 -16.347 1.00 40.05 O HETATM 1658 O HOH 145 -30.628 -4.540 -36.164 1.00 31.01 O HETATM 1659 O HOH 146 -33.470 -0.007 -36.735 1.00 36.11 O HETATM 1660 O HOH 147 -24.043 21.431 -20.886 1.00 34.28 O HETATM 1661 O HOH 148 -29.350 -1.126 -17.779 1.00 22.80 O HETATM 1662 O HOH 149 -25.900 -3.653 -16.267 1.00 35.31 O HETATM 1663 C13 UNN A 150 -14.513 7.998 -24.108 1.00 -0.00 C HETATM 1664 C04 UNN A 150 -15.514 8.432 -24.962 1.00 0.04 C HETATM 1665 N03 UNN A 150 -16.713 7.785 -24.936 1.00 -0.27 N HETATM 1666 C02 UNN A 150 -16.920 6.760 -24.093 1.00 0.17 C HETATM 1667 N01 UNN A 150 -18.110 6.166 -24.087 1.00 -0.31 N HETATM 1668 H3 UNN A 150 -18.850 6.488 -24.727 1.00 0.18 H HETATM 1669 H4 UNN A 150 -18.292 5.384 -23.442 1.00 0.18 H HETATM 1670 N19 UNN A 150 -15.958 6.324 -23.245 1.00 -0.25 N HETATM 1671 C14 UNN A 150 -14.750 6.913 -23.232 1.00 0.11 C HETATM 1672 N15 UNN A 150 -13.823 6.433 -22.391 1.00 -0.29 N HETATM 1673 C16 UNN A 150 -12.425 6.967 -22.260 1.00 0.08 C HETATM 1674 C17 UNN A 150 -11.386 5.921 -22.360 1.00 -0.06 C HETATM 1675 C18 UNN A 150 -11.532 6.947 -23.362 1.00 -0.06 C HETATM 1676 H10 UNN A 150 -11.196 7.391 -24.298 1.00 0.06 H HETATM 1677 H2 UNN A 150 -10.885 5.037 -21.969 1.00 0.06 H HETATM 1678 H9 UNN A 150 -12.378 7.782 -21.523 1.00 0.06 H HETATM 1679 H8 UNN A 150 -14.089 5.640 -21.790 1.00 0.18 H HETATM 1680 C05 UNN A 150 -15.365 9.533 -25.867 1.00 0.01 C HETATM 1681 C06 UNN A 150 -16.346 10.532 -25.859 1.00 -0.05 C HETATM 1682 C07 UNN A 150 -16.290 11.624 -26.720 1.00 -0.06 C HETATM 1683 C08 UNN A 150 -15.247 11.742 -27.629 1.00 -0.04 C HETATM 1684 C09 UNN A 150 -14.259 10.766 -27.653 1.00 0.06 C HETATM 1685 CL1 UNN A 150 -12.937 10.897 -28.797 1.00 -0.07 CL HETATM 1686 C11 UNN A 150 -14.310 9.664 -26.773 1.00 0.07 C HETATM 1687 CL2 UNN A 150 -13.059 8.503 -26.858 1.00 -0.07 CL HETATM 1688 H7 UNN A 150 -15.204 12.584 -28.310 1.00 0.06 H HETATM 1689 H6 UNN A 150 -17.062 12.384 -26.681 1.00 0.06 H HETATM 1690 H5 UNN A 150 -17.173 10.453 -25.162 1.00 0.07 H HETATM 1691 H1 UNN A 150 -13.547 8.490 -24.111 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1663 1664 1671 1691 CONECT 1664 1663 1665 1680 CONECT 1665 1664 1666 CONECT 1666 1665 1667 1670 CONECT 1667 1666 1668 1669 CONECT 1668 1667 CONECT 1669 1667 CONECT 1670 1666 1671 CONECT 1671 1663 1670 1672 CONECT 1672 1671 1673 1679 CONECT 1673 1672 1674 1675 1678 CONECT 1674 1673 1675 1677 CONECT 1675 1673 1674 1676 CONECT 1676 1675 CONECT 1677 1674 CONECT 1678 1673 CONECT 1679 1672 CONECT 1680 1664 1681 1686 CONECT 1681 1680 1682 1690 CONECT 1682 1681 1683 1689 CONECT 1683 1682 1684 1688 CONECT 1684 1683 1685 1686 CONECT 1685 1684 CONECT 1686 1680 1684 1687 CONECT 1687 1686 CONECT 1688 1683 CONECT 1689 1682 CONECT 1690 1681 CONECT 1691 1663 MASTER 0 0 0 0 0 0 0 0 1690 1 33 12 END
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Structure:
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Related entries of code: 5hzx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4n1u
RCSB PDB
PDBbind
2GE
5mzg
RCSB PDB
PDBbind
2GE
6ehh
RCSB PDB
PDBbind
2GE
Entry Information
PDB ID
5hzx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Nudix (Nucleoside diphosphate linked moiety X)-type motif 1 (zebrafish MTH1)
Ligand Name
2GE
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=2.8nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cancer Res. Vol. 76: pp. 2366-2375
Ligand Properties
Formula
C
1
3
H
1
0
Cl
2
N
4
Molecular Weight
293.151
Exact Mass
292.028
No. of atoms
29
No. of bonds
31
Polar Surface Area
63.83
LOGP Value
3.52 (
Computed with XLOGP3
)
4.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
Nc1nc(N[C@@H]2C=C2)cc(n1)c1cccc(c1Cl)Cl
InChI String
InChI=1S/C13H10Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-7H,(H3,16,17,18,19)
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q7ZWC3
Entrez Gene ID
NCBI Entrez Gene ID:
406727
ASD
Information of known allosteric effects of PDB entries
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