Browse entries in the PDBbind-CN Database
HEADER 4QH8_COMPLEX COMPND 4QH8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 85 ARG LYS ALA VAL ILE LYS ASN ALA ASP MET SER GLU GLU SEQRES 2 A 85 MET GLN GLN ASP ALA VAL ASP CYS ALA THR GLN ALA LEU SEQRES 3 A 85 GLU LYS TYR ASN ILE GLU LYS ASP ILE ALA ALA TYR ILE SEQRES 4 A 85 LYS LYS GLU PHE ASP LYS LYS TYR ASN PRO THR TRP HIS SEQRES 5 A 85 CYS ILE VAL GLY ARG ASN PHE GLY SER TYR VAL THR HIS SEQRES 6 A 85 GLU THR ARG HIS PHE ILE TYR PHE TYR LEU GLY GLN VAL SEQRES 7 A 85 ALA ILE LEU LEU PHE LYS SER SEQRES 1 B 85 ARG LYS ALA VAL ILE LYS ASN ALA ASP MET SER GLU GLU SEQRES 2 B 85 MET GLN GLN ASP ALA VAL ASP CYS ALA THR GLN ALA LEU SEQRES 3 B 85 GLU LYS TYR ASN ILE GLU LYS ASP ILE ALA ALA TYR ILE SEQRES 4 B 85 LYS LYS GLU PHE ASP LYS LYS TYR ASN PRO THR TRP HIS SEQRES 5 B 85 CYS ILE VAL GLY ARG ASN PHE GLY SER TYR VAL THR HIS SEQRES 6 B 85 GLU THR ARG HIS PHE ILE TYR PHE TYR LEU GLY GLN VAL SEQRES 7 B 85 ALA ILE LEU LEU PHE LYS SER HET TYR A 207 145 ATOM 1 N ARG A 4 1.692 37.994 83.650 1.00 27.99 N ATOM 2 CA ARG A 4 1.006 38.001 82.357 1.00 20.73 C ATOM 3 C ARG A 4 0.279 39.319 82.081 1.00 22.67 C ATOM 4 O ARG A 4 -0.675 39.673 82.781 1.00 19.29 O ATOM 5 CB ARG A 4 0.003 36.847 82.271 1.00 23.78 C ATOM 6 CG ARG A 4 0.612 35.464 82.473 1.00 27.91 C ATOM 7 CD ARG A 4 0.437 34.561 81.244 1.00 39.55 C ATOM 8 NE ARG A 4 1.550 34.676 80.297 1.00 59.13 N ATOM 9 CZ ARG A 4 1.853 33.769 79.368 1.00 52.41 C ATOM 10 NH1 ARG A 4 1.131 32.660 79.256 1.00 49.21 N ATOM 11 NH2 ARG A 4 2.890 33.965 78.557 1.00 44.69 N ATOM 12 HE ARG A 4 2.146 35.526 80.354 1.00 0.00 H ATOM 13 HH12 ARG A 4 1.370 31.955 78.530 1.00 0.00 H ATOM 14 HH11 ARG A 4 0.326 32.497 79.894 1.00 0.00 H ATOM 15 HH22 ARG A 4 3.125 33.256 77.833 1.00 0.00 H ATOM 16 HH21 ARG A 4 3.465 34.827 78.647 1.00 0.00 H ATOM 17 HN3 ARG A 4 0.998 38.141 84.410 1.00 0.00 H ATOM 18 HN2 ARG A 4 2.397 38.758 83.671 1.00 0.00 H ATOM 19 HN1 ARG A 4 2.167 37.078 83.784 1.00 0.00 H ATOM 20 N LYS A 5 0.726 40.035 81.051 1.00 21.09 N ATOM 21 CA LYS A 5 0.116 41.305 80.660 1.00 19.22 C ATOM 22 C LYS A 5 -1.124 41.074 79.815 1.00 19.32 C ATOM 23 O LYS A 5 -1.067 40.359 78.814 1.00 20.40 O ATOM 24 CB LYS A 5 1.102 42.160 79.855 1.00 20.54 C ATOM 25 CG LYS A 5 0.714 43.630 79.809 1.00 22.21 C ATOM 26 CD LYS A 5 1.182 44.368 78.561 1.00 24.38 C ATOM 27 CE LYS A 5 2.646 44.132 78.256 1.00 26.73 C ATOM 28 NZ LYS A 5 3.146 45.129 77.252 1.00 27.72 N ATOM 29 HZ1 LYS A 5 2.600 45.037 76.372 1.00 0.00 H ATOM 30 HZ2 LYS A 5 3.032 46.090 77.633 1.00 0.00 H ATOM 31 HZ3 LYS A 5 4.152 44.949 77.058 1.00 0.00 H ATOM 32 H LYS A 5 1.537 39.679 80.506 1.00 0.00 H ATOM 33 N ALA A 6 -2.235 41.688 80.208 1.00 14.30 N ATOM 34 CA ALA A 6 -3.477 41.579 79.459 1.00 18.34 C ATOM 35 C ALA A 6 -3.637 42.814 78.584 1.00 18.17 C ATOM 36 O ALA A 6 -3.528 43.943 79.070 1.00 16.84 O ATOM 37 CB ALA A 6 -4.676 41.423 80.412 1.00 17.68 C ATOM 38 H ALA A 6 -2.216 42.262 81.075 1.00 0.00 H ATOM 39 N VAL A 7 -3.867 42.591 77.293 1.00 11.50 N ATOM 40 CA VAL A 7 -4.075 43.675 76.333 1.00 17.83 C ATOM 41 C VAL A 7 -5.273 43.363 75.430 1.00 16.73 C ATOM 42 O VAL A 7 -5.242 42.422 74.634 1.00 19.56 O ATOM 43 CB VAL A 7 -2.818 43.923 75.460 1.00 15.46 C ATOM 44 CG1 VAL A 7 -3.083 45.018 74.440 1.00 18.55 C ATOM 45 CG2 VAL A 7 -1.614 44.293 76.325 1.00 18.98 C ATOM 46 H VAL A 7 -3.900 41.609 76.953 1.00 0.00 H ATOM 47 N ILE A 8 -6.339 44.140 75.573 1.00 14.81 N ATOM 48 CA ILE A 8 -7.540 43.949 74.763 1.00 18.40 C ATOM 49 C ILE A 8 -7.357 44.557 73.375 1.00 22.25 C ATOM 50 O ILE A 8 -7.166 45.765 73.252 1.00 20.77 O ATOM 51 CB ILE A 8 -8.749 44.636 75.407 1.00 20.69 C ATOM 52 CG1 ILE A 8 -8.876 44.225 76.874 1.00 16.44 C ATOM 53 CG2 ILE A 8 -10.015 44.310 74.630 1.00 18.89 C ATOM 54 CD1 ILE A 8 -9.207 42.765 77.065 1.00 19.15 C ATOM 55 H ILE A 8 -6.319 44.904 76.279 1.00 0.00 H ATOM 56 N LYS A 9 -7.424 43.729 72.334 1.00 16.35 N ATOM 57 CA LYS A 9 -7.197 44.209 70.972 1.00 21.41 C ATOM 58 C LYS A 9 -8.476 44.662 70.265 1.00 19.07 C ATOM 59 O LYS A 9 -8.534 45.762 69.723 1.00 25.77 O ATOM 60 CB LYS A 9 -6.482 43.147 70.135 1.00 20.14 C ATOM 61 CG LYS A 9 -5.078 42.812 70.614 1.00 20.25 C ATOM 62 CD LYS A 9 -4.144 44.025 70.562 1.00 24.33 C ATOM 63 CE LYS A 9 -2.790 43.679 71.146 1.00 28.85 C ATOM 64 NZ LYS A 9 -1.878 44.846 71.209 1.00 45.27 N ATOM 65 HZ1 LYS A 9 -1.726 45.218 70.250 1.00 0.00 H ATOM 66 HZ2 LYS A 9 -2.303 45.585 71.805 1.00 0.00 H ATOM 67 HZ3 LYS A 9 -0.968 44.551 71.616 1.00 0.00 H ATOM 68 H LYS A 9 -7.641 42.724 72.493 1.00 0.00 H ATOM 69 N ASN A 10 -9.479 43.794 70.253 1.00 17.20 N ATOM 70 CA ASN A 10 -10.790 44.095 69.686 1.00 23.11 C ATOM 71 C ASN A 10 -11.874 43.538 70.595 1.00 26.84 C ATOM 72 O ASN A 10 -11.843 42.356 70.927 1.00 23.60 O ATOM 73 CB ASN A 10 -10.938 43.440 68.317 1.00 19.35 C ATOM 74 CG ASN A 10 -10.989 44.440 67.200 1.00 37.83 C ATOM 75 OD1 ASN A 10 -9.963 44.780 66.608 1.00 34.90 O ATOM 76 ND2 ASN A 10 -12.189 44.924 66.897 1.00 41.52 N ATOM 77 HD22 ASN A 10 -13.026 44.606 67.426 1.00 0.00 H ATOM 78 HD21 ASN A 10 -12.291 45.620 66.131 1.00 0.00 H ATOM 79 H ASN A 10 -9.324 42.853 70.668 1.00 0.00 H ATOM 80 N ALA A 11 -12.837 44.365 70.995 1.00 24.46 N ATOM 81 CA ALA A 11 -13.908 43.881 71.859 1.00 22.46 C ATOM 82 C ALA A 11 -15.273 44.461 71.524 1.00 27.18 C ATOM 83 O ALA A 11 -15.455 45.674 71.503 1.00 29.77 O ATOM 84 CB ALA A 11 -13.582 44.150 73.312 1.00 25.85 C ATOM 85 H ALA A 11 -12.826 45.359 70.691 1.00 0.00 H ATOM 86 N ASP A 12 -16.228 43.578 71.262 1.00 26.66 N ATOM 87 CA ASP A 12 -17.635 43.953 71.236 1.00 37.10 C ATOM 88 C ASP A 12 -18.282 43.203 72.395 1.00 29.09 C ATOM 89 O ASP A 12 -18.776 42.088 72.224 1.00 28.85 O ATOM 90 CB ASP A 12 -18.279 43.568 69.904 1.00 29.98 C ATOM 91 CG ASP A 12 -19.749 43.942 69.835 1.00 35.18 C ATOM 92 OD1 ASP A 12 -20.145 44.925 70.498 1.00 33.56 O ATOM 93 OD2 ASP A 12 -20.506 43.244 69.120 1.00 38.97 O ATOM 94 H ASP A 12 -15.964 42.590 71.070 1.00 0.00 H ATOM 95 N MET A 13 -18.261 43.818 73.574 1.00 31.60 N ATOM 96 CA MET A 13 -18.541 43.096 74.805 1.00 31.86 C ATOM 97 C MET A 13 -18.486 44.063 75.985 1.00 30.83 C ATOM 98 O MET A 13 -17.741 45.036 75.957 1.00 29.72 O ATOM 99 CB MET A 13 -17.491 41.990 74.966 1.00 31.69 C ATOM 100 CG MET A 13 -17.609 41.142 76.203 1.00 32.83 C ATOM 101 SD MET A 13 -16.254 39.954 76.269 1.00 24.37 S ATOM 102 CE MET A 13 -16.825 38.742 75.075 1.00 18.57 C ATOM 103 H MET A 13 -18.040 44.833 73.616 1.00 0.00 H ATOM 104 N SER A 14 -19.270 43.797 77.025 1.00 33.87 N ATOM 105 CA SER A 14 -19.318 44.692 78.176 1.00 36.15 C ATOM 106 C SER A 14 -18.013 44.678 78.971 1.00 33.43 C ATOM 107 O SER A 14 -17.279 43.687 78.958 1.00 32.85 O ATOM 108 CB SER A 14 -20.494 44.338 79.088 1.00 35.77 C ATOM 109 OG SER A 14 -20.437 42.980 79.487 1.00 42.05 O ATOM 110 HG SER A 14 -20.471 42.400 78.685 1.00 0.00 H ATOM 111 H SER A 14 -19.857 42.939 77.018 1.00 0.00 H ATOM 112 N GLU A 15 -17.741 45.789 79.655 1.00 33.86 N ATOM 113 CA GLU A 15 -16.565 45.936 80.510 1.00 34.08 C ATOM 114 C GLU A 15 -16.279 44.714 81.375 1.00 39.11 C ATOM 115 O GLU A 15 -15.198 44.130 81.289 1.00 39.99 O ATOM 116 CB GLU A 15 -16.714 47.163 81.403 1.00 42.06 C ATOM 117 CG GLU A 15 -16.568 48.478 80.665 1.00 48.06 C ATOM 118 CD GLU A 15 -15.118 48.890 80.491 1.00 64.57 C ATOM 119 OE1 GLU A 15 -14.478 49.255 81.504 1.00 71.43 O ATOM 120 OE2 GLU A 15 -14.620 48.853 79.344 1.00 58.34 O ATOM 121 H GLU A 15 -18.398 46.591 79.576 1.00 0.00 H ATOM 122 N GLU A 16 -17.245 44.314 82.196 1.00 39.17 N ATOM 123 CA GLU A 16 -16.991 43.236 83.149 1.00 39.23 C ATOM 124 C GLU A 16 -17.053 41.846 82.513 1.00 35.98 C ATOM 125 O GLU A 16 -16.454 40.903 83.025 1.00 30.08 O ATOM 126 CB GLU A 16 -17.877 43.360 84.401 1.00 43.92 C ATOM 127 CG GLU A 16 -19.086 42.440 84.460 1.00 45.25 C ATOM 128 CD GLU A 16 -20.142 42.928 85.457 1.00 50.50 C ATOM 129 OE1 GLU A 16 -19.888 43.935 86.162 1.00 52.78 O ATOM 130 OE2 GLU A 16 -21.230 42.313 85.528 1.00 44.77 O ATOM 131 H GLU A 16 -18.180 44.768 82.160 1.00 0.00 H ATOM 132 N MET A 17 -17.742 41.711 81.386 1.00 30.94 N ATOM 133 CA MET A 17 -17.650 40.455 80.654 1.00 29.31 C ATOM 134 C MET A 17 -16.232 40.322 80.080 1.00 26.54 C ATOM 135 O MET A 17 -15.651 39.234 80.075 1.00 26.02 O ATOM 136 CB MET A 17 -18.703 40.367 79.549 1.00 31.09 C ATOM 137 CG MET A 17 -18.780 38.996 78.886 1.00 33.14 C ATOM 138 SD MET A 17 -20.050 38.870 77.601 1.00 45.43 S ATOM 139 CE MET A 17 -21.529 38.674 78.590 1.00 38.86 C ATOM 140 H MET A 17 -18.336 42.488 81.032 1.00 0.00 H ATOM 141 N GLN A 18 -15.676 41.435 79.609 1.00 24.06 N ATOM 142 CA GLN A 18 -14.293 41.444 79.136 1.00 23.61 C ATOM 143 C GLN A 18 -13.369 41.030 80.272 1.00 26.50 C ATOM 144 O GLN A 18 -12.493 40.181 80.091 1.00 24.80 O ATOM 145 CB GLN A 18 -13.882 42.820 78.614 1.00 19.87 C ATOM 146 CG GLN A 18 -14.346 43.114 77.206 1.00 19.47 C ATOM 147 CD GLN A 18 -13.989 44.508 76.788 1.00 19.98 C ATOM 148 OE1 GLN A 18 -12.861 44.955 76.985 1.00 24.98 O ATOM 149 NE2 GLN A 18 -14.953 45.221 76.223 1.00 30.66 N ATOM 150 HE22 GLN A 18 -15.893 44.801 76.076 1.00 0.00 H ATOM 151 HE21 GLN A 18 -14.770 46.201 75.926 1.00 0.00 H ATOM 152 H GLN A 18 -16.234 42.312 79.577 1.00 0.00 H ATOM 153 N GLN A 19 -13.570 41.631 81.443 1.00 20.74 N ATOM 154 CA GLN A 19 -12.767 41.286 82.611 1.00 24.45 C ATOM 155 C GLN A 19 -12.887 39.796 82.925 1.00 26.68 C ATOM 156 O GLN A 19 -11.915 39.139 83.320 1.00 23.51 O ATOM 157 CB GLN A 19 -13.184 42.118 83.823 1.00 26.76 C ATOM 158 CG GLN A 19 -12.250 41.956 84.994 1.00 22.81 C ATOM 159 CD GLN A 19 -10.844 42.349 84.633 1.00 28.18 C ATOM 160 OE1 GLN A 19 -10.634 43.338 83.935 1.00 32.08 O ATOM 161 NE2 GLN A 19 -9.868 41.571 85.093 1.00 27.77 N ATOM 162 HE22 GLN A 19 -10.096 40.744 85.681 1.00 0.00 H ATOM 163 HE21 GLN A 19 -8.877 41.790 84.865 1.00 0.00 H ATOM 164 H GLN A 19 -14.310 42.357 81.526 1.00 0.00 H ATOM 165 N ASP A 20 -14.084 39.260 82.731 1.00 26.57 N ATOM 166 CA ASP A 20 -14.311 37.841 82.959 1.00 25.86 C ATOM 167 C ASP A 20 -13.541 36.970 81.983 1.00 26.74 C ATOM 168 O ASP A 20 -13.106 35.876 82.336 1.00 21.02 O ATOM 169 CB ASP A 20 -15.800 37.524 82.879 1.00 34.68 C ATOM 170 CG ASP A 20 -16.498 37.701 84.207 1.00 44.61 C ATOM 171 OD1 ASP A 20 -15.890 37.350 85.243 1.00 47.67 O ATOM 172 OD2 ASP A 20 -17.649 38.193 84.213 1.00 46.21 O ATOM 173 H ASP A 20 -14.870 39.861 82.412 1.00 0.00 H ATOM 174 N ALA A 21 -13.378 37.449 80.752 1.00 24.05 N ATOM 175 CA ALA A 21 -12.641 36.686 79.757 1.00 21.65 C ATOM 176 C ALA A 21 -11.185 36.582 80.180 1.00 15.92 C ATOM 177 O ALA A 21 -10.570 35.528 80.039 1.00 14.00 O ATOM 178 CB ALA A 21 -12.754 37.327 78.390 1.00 13.79 C ATOM 179 H ALA A 21 -13.780 38.374 80.500 1.00 0.00 H ATOM 180 N VAL A 22 -10.648 37.688 80.696 1.00 14.51 N ATOM 181 CA VAL A 22 -9.264 37.739 81.158 1.00 17.20 C ATOM 182 C VAL A 22 -9.036 36.828 82.374 1.00 19.17 C ATOM 183 O VAL A 22 -8.110 36.019 82.392 1.00 12.01 O ATOM 184 CB VAL A 22 -8.866 39.175 81.513 1.00 15.07 C ATOM 185 CG1 VAL A 22 -7.468 39.215 82.094 1.00 19.43 C ATOM 186 CG2 VAL A 22 -8.985 40.079 80.276 1.00 16.26 C ATOM 187 H VAL A 22 -11.235 38.543 80.772 1.00 0.00 H ATOM 188 N ASP A 23 -9.891 36.976 83.380 1.00 18.72 N ATOM 189 CA ASP A 23 -9.842 36.157 84.588 1.00 18.38 C ATOM 190 C ASP A 23 -9.898 34.676 84.264 1.00 17.54 C ATOM 191 O ASP A 23 -9.073 33.899 84.722 1.00 17.51 O ATOM 192 CB ASP A 23 -10.999 36.528 85.514 1.00 22.59 C ATOM 193 CG ASP A 23 -10.837 37.914 86.121 1.00 25.02 C ATOM 194 OD1 ASP A 23 -9.708 38.449 86.097 1.00 20.08 O ATOM 195 OD2 ASP A 23 -11.835 38.465 86.634 1.00 36.06 O ATOM 196 H ASP A 23 -10.627 37.707 83.304 1.00 0.00 H ATOM 197 N CYS A 24 -10.871 34.299 83.445 1.00 23.86 N ATOM 198 CA CYS A 24 -11.032 32.918 83.021 1.00 19.78 C ATOM 199 C CYS A 24 -9.786 32.403 82.287 1.00 21.39 C ATOM 200 O CYS A 24 -9.240 31.357 82.631 1.00 15.70 O ATOM 201 CB CYS A 24 -12.272 32.798 82.142 1.00 23.39 C ATOM 202 SG CYS A 24 -12.684 31.115 81.722 1.00 40.83 S ATOM 203 H CYS A 24 -11.540 35.014 83.095 1.00 0.00 H ATOM 204 N ALA A 25 -9.334 33.155 81.286 1.00 17.69 N ATOM 205 CA ALA A 25 -8.110 32.831 80.560 1.00 15.16 C ATOM 206 C ALA A 25 -6.899 32.688 81.492 1.00 14.56 C ATOM 207 O ALA A 25 -6.039 31.830 81.285 1.00 14.81 O ATOM 208 CB ALA A 25 -7.842 33.896 79.507 1.00 13.51 C ATOM 209 H ALA A 25 -9.871 34.002 81.012 1.00 0.00 H ATOM 210 N THR A 26 -6.830 33.542 82.509 1.00 15.52 N ATOM 211 CA THR A 26 -5.786 33.442 83.525 1.00 13.43 C ATOM 212 C THR A 26 -5.829 32.087 84.246 1.00 14.21 C ATOM 213 O THR A 26 -4.812 31.413 84.361 1.00 13.43 O ATOM 214 CB THR A 26 -5.874 34.600 84.535 1.00 18.73 C ATOM 215 OG1 THR A 26 -5.601 35.841 83.863 1.00 14.37 O ATOM 216 CG2 THR A 26 -4.869 34.412 85.668 1.00 17.33 C ATOM 217 HG1 THR A 26 -6.266 35.978 83.143 1.00 0.00 H ATOM 218 H THR A 26 -7.538 34.301 82.583 1.00 0.00 H ATOM 219 N GLN A 27 -7.008 31.680 84.703 1.00 18.43 N ATOM 220 CA GLN A 27 -7.149 30.383 85.371 1.00 24.69 C ATOM 221 C GLN A 27 -6.738 29.240 84.443 1.00 21.65 C ATOM 222 O GLN A 27 -6.085 28.290 84.871 1.00 18.89 O ATOM 223 CB GLN A 27 -8.589 30.168 85.855 1.00 23.31 C ATOM 224 CG GLN A 27 -9.157 31.302 86.710 1.00 28.97 C ATOM 225 CD GLN A 27 -10.685 31.358 86.669 1.00 37.25 C ATOM 226 OE1 GLN A 27 -11.348 30.391 86.276 1.00 40.17 O ATOM 227 NE2 GLN A 27 -11.247 32.500 87.066 1.00 31.91 N ATOM 228 HE22 GLN A 27 -10.651 33.288 87.389 1.00 0.00 H ATOM 229 HE21 GLN A 27 -12.282 32.603 87.053 1.00 0.00 H ATOM 230 H GLN A 27 -7.842 32.290 84.585 1.00 0.00 H ATOM 231 N ALA A 28 -7.116 29.346 83.168 1.00 18.15 N ATOM 232 CA ALA A 28 -6.793 28.329 82.172 1.00 15.84 C ATOM 233 C ALA A 28 -5.298 28.184 81.962 1.00 18.26 C ATOM 234 O ALA A 28 -4.787 27.067 81.842 1.00 20.26 O ATOM 235 CB ALA A 28 -7.486 28.637 80.837 1.00 16.43 C ATOM 236 H ALA A 28 -7.660 30.182 82.873 1.00 0.00 H ATOM 237 N LEU A 29 -4.599 29.315 81.901 1.00 16.69 N ATOM 238 CA LEU A 29 -3.154 29.314 81.694 1.00 18.14 C ATOM 239 C LEU A 29 -2.389 28.769 82.908 1.00 19.08 C ATOM 240 O LEU A 29 -1.275 28.255 82.769 1.00 21.15 O ATOM 241 CB LEU A 29 -2.645 30.720 81.349 1.00 15.55 C ATOM 242 CG LEU A 29 -2.971 31.246 79.948 1.00 19.94 C ATOM 243 CD1 LEU A 29 -2.513 32.690 79.802 1.00 17.78 C ATOM 244 CD2 LEU A 29 -2.322 30.391 78.889 1.00 12.98 C ATOM 245 H LEU A 29 -5.095 30.223 82.003 1.00 0.00 H ATOM 246 N GLU A 30 -2.981 28.907 84.088 1.00 16.59 N ATOM 247 CA GLU A 30 -2.381 28.390 85.315 1.00 24.71 C ATOM 248 C GLU A 30 -2.492 26.874 85.402 1.00 20.31 C ATOM 249 O GLU A 30 -1.605 26.220 85.938 1.00 22.75 O ATOM 250 CB GLU A 30 -3.040 29.007 86.545 1.00 22.32 C ATOM 251 CG GLU A 30 -2.704 30.465 86.768 1.00 30.00 C ATOM 252 CD GLU A 30 -3.460 31.041 87.948 1.00 36.55 C ATOM 253 OE1 GLU A 30 -4.669 30.739 88.084 1.00 40.30 O ATOM 254 OE2 GLU A 30 -2.843 31.785 88.742 1.00 38.24 O ATOM 255 H GLU A 30 -3.897 29.397 84.140 1.00 0.00 H ATOM 256 N LYS A 31 -3.586 26.325 84.880 1.00 18.39 N ATOM 257 CA LYS A 31 -3.822 24.884 84.955 1.00 20.02 C ATOM 258 C LYS A 31 -3.218 24.114 83.779 1.00 22.10 C ATOM 259 O LYS A 31 -2.541 23.105 83.978 1.00 20.55 O ATOM 260 CB LYS A 31 -5.321 24.593 85.078 1.00 19.58 C ATOM 261 CG LYS A 31 -5.661 23.105 85.139 1.00 18.40 C ATOM 262 CD LYS A 31 -7.011 22.873 85.807 1.00 26.08 C ATOM 263 CE LYS A 31 -7.299 21.382 85.974 1.00 29.68 C ATOM 264 NZ LYS A 31 -8.199 21.129 87.133 1.00 36.13 N ATOM 265 HZ1 LYS A 31 -7.748 21.478 88.003 1.00 0.00 H ATOM 266 HZ2 LYS A 31 -9.101 21.625 86.985 1.00 0.00 H ATOM 267 HZ3 LYS A 31 -8.374 20.107 87.218 1.00 0.00 H ATOM 268 H LYS A 31 -4.287 26.933 84.410 1.00 0.00 H ATOM 269 N TYR A 32 -3.448 24.609 82.561 1.00 22.92 N ATOM 270 CA TYR A 32 -3.066 23.898 81.335 1.00 21.17 C ATOM 271 C TYR A 32 -1.972 24.590 80.528 1.00 22.00 C ATOM 272 O TYR A 32 -1.872 25.823 80.524 1.00 18.08 O ATOM 273 CB TYR A 32 -4.278 23.741 80.419 1.00 18.93 C ATOM 274 CG TYR A 32 -5.476 23.066 81.035 1.00 18.27 C ATOM 275 CD1 TYR A 32 -5.539 21.677 81.146 1.00 20.45 C ATOM 276 CD2 TYR A 32 -6.561 23.811 81.477 1.00 17.31 C ATOM 277 CE1 TYR A 32 -6.649 21.048 81.690 1.00 19.11 C ATOM 278 CE2 TYR A 32 -7.680 23.191 82.026 1.00 28.59 C ATOM 279 CZ TYR A 32 -7.716 21.808 82.133 1.00 26.53 C ATOM 280 OH TYR A 32 -8.824 21.190 82.679 1.00 26.73 O ATOM 281 HH TYR A 32 -8.686 20.210 82.680 1.00 0.00 H ATOM 282 H TYR A 32 -3.916 25.534 82.477 1.00 0.00 H ATOM 283 N ASN A 33 -1.178 23.792 79.812 1.00 16.00 N ATOM 284 CA ASN A 33 -0.160 24.332 78.914 1.00 25.58 C ATOM 285 C ASN A 33 -0.447 24.132 77.435 1.00 20.75 C ATOM 286 O ASN A 33 0.230 24.697 76.584 1.00 22.42 O ATOM 287 CB ASN A 33 1.200 23.727 79.221 1.00 27.12 C ATOM 288 CG ASN A 33 1.681 24.077 80.597 1.00 31.87 C ATOM 289 OD1 ASN A 33 1.891 25.250 80.913 1.00 31.37 O ATOM 290 ND2 ASN A 33 1.863 23.062 81.432 1.00 27.56 N ATOM 291 HD22 ASN A 33 1.672 22.089 81.118 1.00 0.00 H ATOM 292 HD21 ASN A 33 2.197 23.239 82.401 1.00 0.00 H ATOM 293 H ASN A 33 -1.286 22.761 79.895 1.00 0.00 H ATOM 294 N ILE A 34 -1.436 23.312 77.122 1.00 18.57 N ATOM 295 CA ILE A 34 -1.708 23.038 75.724 1.00 19.89 C ATOM 296 C ILE A 34 -2.822 23.956 75.246 1.00 16.99 C ATOM 297 O ILE A 34 -3.874 24.035 75.870 1.00 16.32 O ATOM 298 CB ILE A 34 -2.056 21.565 75.491 1.00 17.99 C ATOM 299 CG1 ILE A 34 -0.934 20.677 76.036 1.00 16.41 C ATOM 300 CG2 ILE A 34 -2.252 21.290 74.001 1.00 22.22 C ATOM 301 CD1 ILE A 34 -1.258 19.201 76.024 1.00 19.95 C ATOM 302 H ILE A 34 -2.011 22.870 77.868 1.00 0.00 H ATOM 303 N GLU A 35 -2.574 24.648 74.139 1.00 17.48 N ATOM 304 CA GLU A 35 -3.504 25.648 73.628 1.00 15.35 C ATOM 305 C GLU A 35 -4.936 25.135 73.500 1.00 12.49 C ATOM 306 O GLU A 35 -5.879 25.812 73.910 1.00 15.76 O ATOM 307 CB GLU A 35 -2.988 26.217 72.302 1.00 14.04 C ATOM 308 CG GLU A 35 -1.857 27.203 72.497 1.00 10.90 C ATOM 309 CD GLU A 35 -1.023 27.419 71.245 1.00 22.20 C ATOM 310 OE1 GLU A 35 -1.314 26.802 70.197 1.00 20.62 O ATOM 311 OE2 GLU A 35 -0.060 28.212 71.311 1.00 24.08 O ATOM 312 H GLU A 35 -1.690 24.471 73.621 1.00 0.00 H ATOM 313 N LYS A 36 -5.100 23.929 72.965 1.00 16.77 N ATOM 314 CA LYS A 36 -6.427 23.327 72.842 1.00 13.47 C ATOM 315 C LYS A 36 -7.134 23.159 74.195 1.00 14.13 C ATOM 316 O LYS A 36 -8.339 23.406 74.324 1.00 14.59 O ATOM 317 CB LYS A 36 -6.321 21.980 72.121 1.00 19.68 C ATOM 318 CG LYS A 36 -7.573 21.134 72.197 1.00 27.67 C ATOM 319 CD LYS A 36 -7.368 19.763 71.551 1.00 36.07 C ATOM 320 CE LYS A 36 -6.233 18.982 72.200 1.00 36.81 C ATOM 321 NZ LYS A 36 -6.118 17.616 71.618 1.00 42.52 N ATOM 322 HZ1 LYS A 36 -7.007 17.099 71.771 1.00 0.00 H ATOM 323 HZ2 LYS A 36 -5.930 17.690 70.598 1.00 0.00 H ATOM 324 HZ3 LYS A 36 -5.337 17.108 72.080 1.00 0.00 H ATOM 325 H LYS A 36 -4.268 23.404 72.627 1.00 0.00 H ATOM 326 N ASP A 37 -6.386 22.732 75.208 1.00 17.56 N ATOM 327 CA ASP A 37 -6.963 22.539 76.542 1.00 15.51 C ATOM 328 C ASP A 37 -7.306 23.869 77.187 1.00 15.87 C ATOM 329 O ASP A 37 -8.337 24.010 77.839 1.00 16.38 O ATOM 330 CB ASP A 37 -5.997 21.768 77.438 1.00 14.57 C ATOM 331 CG ASP A 37 -5.771 20.345 76.964 1.00 19.48 C ATOM 332 OD1 ASP A 37 -6.682 19.772 76.331 1.00 25.21 O ATOM 333 OD2 ASP A 37 -4.683 19.802 77.224 1.00 24.02 O ATOM 334 H ASP A 37 -5.377 22.532 75.052 1.00 0.00 H ATOM 335 N ILE A 38 -6.422 24.843 76.997 1.00 14.34 N ATOM 336 CA ILE A 38 -6.666 26.202 77.450 1.00 15.30 C ATOM 337 C ILE A 38 -7.929 26.739 76.783 1.00 20.26 C ATOM 338 O ILE A 38 -8.815 27.296 77.445 1.00 15.97 O ATOM 339 CB ILE A 38 -5.461 27.088 77.120 1.00 14.05 C ATOM 340 CG1 ILE A 38 -4.218 26.559 77.842 1.00 17.59 C ATOM 341 CG2 ILE A 38 -5.744 28.542 77.476 1.00 18.84 C ATOM 342 CD1 ILE A 38 -2.903 27.089 77.299 1.00 15.79 C ATOM 343 H ILE A 38 -5.529 24.626 76.510 1.00 0.00 H ATOM 344 N ALA A 39 -8.013 26.553 75.468 1.00 17.98 N ATOM 345 CA ALA A 39 -9.185 26.970 74.701 1.00 19.59 C ATOM 346 C ALA A 39 -10.440 26.283 75.226 1.00 18.12 C ATOM 347 O ALA A 39 -11.495 26.897 75.346 1.00 16.50 O ATOM 348 CB ALA A 39 -8.995 26.650 73.229 1.00 12.03 C ATOM 349 H ALA A 39 -7.221 26.097 74.971 1.00 0.00 H ATOM 350 N ALA A 40 -10.316 25.001 75.538 1.00 15.74 N ATOM 351 CA ALA A 40 -11.449 24.252 76.067 1.00 23.45 C ATOM 352 C ALA A 40 -11.968 24.870 77.370 1.00 23.99 C ATOM 353 O ALA A 40 -13.175 25.090 77.530 1.00 23.94 O ATOM 354 CB ALA A 40 -11.071 22.798 76.270 1.00 16.69 C ATOM 355 H ALA A 40 -9.401 24.525 75.404 1.00 0.00 H ATOM 356 N TYR A 41 -11.048 25.153 78.291 1.00 21.15 N ATOM 357 CA TYR A 41 -11.403 25.688 79.602 1.00 21.88 C ATOM 358 C TYR A 41 -12.253 26.956 79.483 1.00 26.26 C ATOM 359 O TYR A 41 -13.348 27.048 80.045 1.00 22.31 O ATOM 360 CB TYR A 41 -10.137 25.954 80.431 1.00 15.98 C ATOM 361 CG TYR A 41 -10.417 26.420 81.845 1.00 25.98 C ATOM 362 CD1 TYR A 41 -10.485 25.511 82.901 1.00 25.61 C ATOM 363 CD2 TYR A 41 -10.625 27.765 82.123 1.00 21.17 C ATOM 364 CE1 TYR A 41 -10.745 25.938 84.184 1.00 25.45 C ATOM 365 CE2 TYR A 41 -10.889 28.196 83.395 1.00 23.03 C ATOM 366 CZ TYR A 41 -10.945 27.283 84.424 1.00 26.96 C ATOM 367 OH TYR A 41 -11.208 27.730 85.693 1.00 33.43 O ATOM 368 HH TYR A 41 -10.507 28.373 85.967 1.00 0.00 H ATOM 369 H TYR A 41 -10.046 24.988 78.069 1.00 0.00 H ATOM 370 N ILE A 42 -11.741 27.925 78.734 1.00 18.10 N ATOM 371 CA ILE A 42 -12.410 29.204 78.561 1.00 15.73 C ATOM 372 C ILE A 42 -13.805 29.032 77.952 1.00 18.25 C ATOM 373 O ILE A 42 -14.787 29.615 78.430 1.00 19.07 O ATOM 374 CB ILE A 42 -11.556 30.130 77.672 1.00 14.22 C ATOM 375 CG1 ILE A 42 -10.222 30.438 78.358 1.00 17.37 C ATOM 376 CG2 ILE A 42 -12.310 31.417 77.346 1.00 16.16 C ATOM 377 CD1 ILE A 42 -9.197 31.102 77.450 1.00 15.00 C ATOM 378 H ILE A 42 -10.832 27.764 78.255 1.00 0.00 H ATOM 379 N LYS A 43 -13.877 28.227 76.895 1.00 19.30 N ATOM 380 CA LYS A 43 -15.114 28.027 76.146 1.00 21.08 C ATOM 381 C LYS A 43 -16.192 27.481 77.059 1.00 26.14 C ATOM 382 O LYS A 43 -17.310 27.986 77.078 1.00 29.88 O ATOM 383 CB LYS A 43 -14.888 27.052 74.979 1.00 22.21 C ATOM 384 CG LYS A 43 -16.117 26.810 74.091 1.00 27.35 C ATOM 385 CD LYS A 43 -16.889 25.551 74.496 1.00 27.44 C ATOM 386 CE LYS A 43 -17.805 25.056 73.382 1.00 27.14 C ATOM 387 NZ LYS A 43 -18.949 25.982 73.111 1.00 24.08 N ATOM 388 HZ1 LYS A 43 -19.524 26.083 73.972 1.00 0.00 H ATOM 389 HZ2 LYS A 43 -18.581 26.913 72.828 1.00 0.00 H ATOM 390 HZ3 LYS A 43 -19.535 25.592 72.345 1.00 0.00 H ATOM 391 H LYS A 43 -13.020 27.722 76.591 1.00 0.00 H ATOM 392 N LYS A 44 -15.838 26.445 77.816 1.00 24.95 N ATOM 393 CA LYS A 44 -16.793 25.753 78.676 1.00 29.29 C ATOM 394 C LYS A 44 -17.322 26.631 79.809 1.00 33.70 C ATOM 395 O LYS A 44 -18.494 26.553 80.176 1.00 36.27 O ATOM 396 CB LYS A 44 -16.171 24.467 79.212 1.00 23.33 C ATOM 397 CG LYS A 44 -15.930 23.431 78.121 1.00 29.47 C ATOM 398 CD LYS A 44 -15.170 22.233 78.642 1.00 25.19 C ATOM 399 CE LYS A 44 -15.166 21.108 77.619 1.00 33.48 C ATOM 400 NZ LYS A 44 -14.363 19.941 78.076 1.00 36.40 N ATOM 401 HZ1 LYS A 44 -13.380 20.239 78.235 1.00 0.00 H ATOM 402 HZ2 LYS A 44 -14.763 19.573 78.963 1.00 0.00 H ATOM 403 HZ3 LYS A 44 -14.388 19.198 77.348 1.00 0.00 H ATOM 404 H LYS A 44 -14.851 26.119 77.794 1.00 0.00 H ATOM 405 N GLU A 45 -16.463 27.487 80.344 1.00 24.51 N ATOM 406 CA GLU A 45 -16.875 28.371 81.418 1.00 30.23 C ATOM 407 C GLU A 45 -17.788 29.491 80.928 1.00 38.09 C ATOM 408 O GLU A 45 -18.649 29.965 81.673 1.00 35.49 O ATOM 409 CB GLU A 45 -15.652 28.928 82.144 1.00 28.80 C ATOM 410 CG GLU A 45 -14.817 27.846 82.797 1.00 37.20 C ATOM 411 CD GLU A 45 -15.606 27.048 83.824 1.00 45.18 C ATOM 412 OE1 GLU A 45 -15.680 25.806 83.691 1.00 40.37 O ATOM 413 OE2 GLU A 45 -16.153 27.668 84.762 1.00 42.92 O ATOM 414 H GLU A 45 -15.486 27.525 79.991 1.00 0.00 H ATOM 415 N PHE A 46 -17.613 29.910 79.677 1.00 30.18 N ATOM 416 CA PHE A 46 -18.473 30.946 79.118 1.00 32.68 C ATOM 417 C PHE A 46 -19.831 30.382 78.697 1.00 35.67 C ATOM 418 O PHE A 46 -20.847 31.080 78.757 1.00 35.06 O ATOM 419 CB PHE A 46 -17.773 31.712 77.980 1.00 26.35 C ATOM 420 CG PHE A 46 -17.141 33.003 78.429 1.00 23.48 C ATOM 421 CD1 PHE A 46 -16.113 32.998 79.356 1.00 24.87 C ATOM 422 CD2 PHE A 46 -17.586 34.219 77.941 1.00 28.82 C ATOM 423 CE1 PHE A 46 -15.543 34.177 79.787 1.00 26.13 C ATOM 424 CE2 PHE A 46 -17.012 35.409 78.363 1.00 29.75 C ATOM 425 CZ PHE A 46 -15.990 35.386 79.288 1.00 26.25 C ATOM 426 H PHE A 46 -16.858 29.496 79.094 1.00 0.00 H ATOM 427 N ASP A 47 -19.844 29.117 78.284 1.00 33.47 N ATOM 428 CA ASP A 47 -21.095 28.391 78.094 1.00 37.38 C ATOM 429 C ASP A 47 -21.887 28.397 79.401 1.00 37.30 C ATOM 430 O ASP A 47 -23.078 28.710 79.422 1.00 38.26 O ATOM 431 CB ASP A 47 -20.829 26.939 77.669 1.00 36.53 C ATOM 432 CG ASP A 47 -20.556 26.798 76.180 1.00 33.83 C ATOM 433 OD1 ASP A 47 -20.926 27.715 75.417 1.00 35.54 O ATOM 434 OD2 ASP A 47 -19.978 25.764 75.776 1.00 33.55 O ATOM 435 H ASP A 47 -18.942 28.635 78.092 1.00 0.00 H ATOM 436 N LYS A 48 -21.202 28.059 80.489 1.00 38.18 N ATOM 437 CA LYS A 48 -21.825 27.938 81.802 1.00 36.77 C ATOM 438 C LYS A 48 -22.395 29.267 82.314 1.00 42.61 C ATOM 439 O LYS A 48 -23.592 29.375 82.569 1.00 42.45 O ATOM 440 CB LYS A 48 -20.822 27.351 82.802 1.00 41.05 C ATOM 441 CG LYS A 48 -21.396 27.026 84.176 1.00 44.48 C ATOM 442 CD LYS A 48 -21.227 25.547 84.514 1.00 47.14 C ATOM 443 CE LYS A 48 -19.758 25.140 84.565 1.00 42.70 C ATOM 444 NZ LYS A 48 -19.049 25.710 85.746 1.00 45.61 N ATOM 445 HZ1 LYS A 48 -19.093 26.748 85.707 1.00 0.00 H ATOM 446 HZ2 LYS A 48 -19.506 25.374 86.618 1.00 0.00 H ATOM 447 HZ3 LYS A 48 -18.055 25.403 85.733 1.00 0.00 H ATOM 448 H LYS A 48 -20.182 27.874 80.400 1.00 0.00 H ATOM 449 N LYS A 49 -21.547 30.282 82.445 1.00 45.39 N ATOM 450 CA LYS A 49 -21.970 31.540 83.057 1.00 42.13 C ATOM 451 C LYS A 49 -22.880 32.401 82.174 1.00 42.79 C ATOM 452 O LYS A 49 -23.775 33.086 82.679 1.00 41.83 O ATOM 453 CB LYS A 49 -20.759 32.355 83.529 1.00 40.28 C ATOM 454 CG LYS A 49 -21.144 33.674 84.172 1.00 44.76 C ATOM 455 CD LYS A 49 -19.967 34.397 84.804 1.00 51.42 C ATOM 456 CE LYS A 49 -20.428 35.708 85.431 1.00 51.79 C ATOM 457 NZ LYS A 49 -19.321 36.454 86.086 1.00 47.24 N ATOM 458 HZ1 LYS A 49 -18.908 35.868 86.840 1.00 0.00 H ATOM 459 HZ2 LYS A 49 -18.591 36.678 85.380 1.00 0.00 H ATOM 460 HZ3 LYS A 49 -19.693 37.335 86.494 1.00 0.00 H ATOM 461 H LYS A 49 -20.569 30.180 82.107 1.00 0.00 H ATOM 462 N TYR A 50 -22.665 32.357 80.862 1.00 38.87 N ATOM 463 CA TYR A 50 -23.350 33.273 79.953 1.00 42.96 C ATOM 464 C TYR A 50 -24.184 32.587 78.870 1.00 44.75 C ATOM 465 O TYR A 50 -24.512 33.213 77.854 1.00 43.45 O ATOM 466 CB TYR A 50 -22.336 34.205 79.283 1.00 45.07 C ATOM 467 CG TYR A 50 -21.495 35.002 80.251 1.00 40.15 C ATOM 468 CD1 TYR A 50 -22.021 36.100 80.911 1.00 43.61 C ATOM 469 CD2 TYR A 50 -20.173 34.664 80.493 1.00 34.51 C ATOM 470 CE1 TYR A 50 -21.259 36.835 81.791 1.00 47.12 C ATOM 471 CE2 TYR A 50 -19.402 35.392 81.374 1.00 40.57 C ATOM 472 CZ TYR A 50 -19.951 36.480 82.018 1.00 44.42 C ATOM 473 OH TYR A 50 -19.196 37.219 82.896 1.00 44.85 O ATOM 474 HH TYR A 50 -18.413 37.595 82.421 1.00 0.00 H ATOM 475 H TYR A 50 -21.998 31.658 80.477 1.00 0.00 H ATOM 476 N ASN A 51 -24.514 31.315 79.092 1.00 43.60 N ATOM 477 CA ASN A 51 -25.269 30.488 78.139 1.00 48.11 C ATOM 478 C ASN A 51 -24.461 30.152 76.880 1.00 44.20 C ATOM 479 O ASN A 51 -23.635 30.950 76.443 1.00 45.84 O ATOM 480 CB ASN A 51 -26.614 31.136 77.758 1.00 52.28 C ATOM 481 CG ASN A 51 -27.323 31.776 78.944 1.00 54.30 C ATOM 482 OD1 ASN A 51 -27.460 31.169 80.005 1.00 51.46 O ATOM 483 ND2 ASN A 51 -27.772 33.016 78.764 1.00 54.75 N ATOM 484 HD22 ASN A 51 -27.634 33.491 77.849 1.00 0.00 H ATOM 485 HD21 ASN A 51 -28.261 33.510 79.538 1.00 0.00 H ATOM 486 H ASN A 51 -24.221 30.882 79.991 1.00 0.00 H ATOM 487 N PRO A 52 -24.696 28.964 76.293 1.00 43.40 N ATOM 488 CA PRO A 52 -24.090 28.590 75.005 1.00 41.45 C ATOM 489 C PRO A 52 -24.555 29.547 73.892 1.00 47.59 C ATOM 490 O PRO A 52 -25.563 30.226 74.097 1.00 47.83 O ATOM 491 CB PRO A 52 -24.626 27.173 74.774 1.00 38.09 C ATOM 492 CG PRO A 52 -24.999 26.676 76.122 1.00 41.74 C ATOM 493 CD PRO A 52 -25.517 27.874 76.846 1.00 40.76 C ATOM 494 N THR A 53 -23.867 29.618 72.748 1.00 42.82 N ATOM 495 CA THR A 53 -22.735 28.759 72.410 1.00 38.50 C ATOM 496 C THR A 53 -21.476 29.547 72.016 1.00 35.47 C ATOM 497 O THR A 53 -21.487 30.339 71.065 1.00 32.68 O ATOM 498 CB THR A 53 -23.114 27.798 71.267 1.00 42.07 C ATOM 499 OG1 THR A 53 -24.193 26.952 71.692 1.00 39.06 O ATOM 500 CG2 THR A 53 -21.929 26.940 70.876 1.00 38.38 C ATOM 501 HG1 THR A 53 -24.436 26.335 70.957 1.00 0.00 H ATOM 502 H THR A 53 -24.157 30.333 72.051 1.00 0.00 H ATOM 503 N TRP A 54 -20.389 29.310 72.747 1.00 33.73 N ATOM 504 CA TRP A 54 -19.138 30.040 72.542 1.00 28.86 C ATOM 505 C TRP A 54 -18.068 29.188 71.849 1.00 26.29 C ATOM 506 O TRP A 54 -18.088 27.961 71.930 1.00 26.61 O ATOM 507 CB TRP A 54 -18.601 30.524 73.886 1.00 26.14 C ATOM 508 CG TRP A 54 -19.485 31.510 74.599 1.00 32.60 C ATOM 509 CD1 TRP A 54 -20.566 31.228 75.386 1.00 29.07 C ATOM 510 CD2 TRP A 54 -19.341 32.936 74.614 1.00 28.85 C ATOM 511 NE1 TRP A 54 -21.110 32.389 75.874 1.00 29.42 N ATOM 512 CE2 TRP A 54 -20.374 33.451 75.421 1.00 25.18 C ATOM 513 CE3 TRP A 54 -18.440 33.826 74.019 1.00 27.99 C ATOM 514 CZ2 TRP A 54 -20.535 34.816 75.644 1.00 32.61 C ATOM 515 CZ3 TRP A 54 -18.600 35.183 74.247 1.00 27.27 C ATOM 516 CH2 TRP A 54 -19.637 35.664 75.053 1.00 31.08 C ATOM 517 HE1 TRP A 54 -21.946 32.452 76.489 1.00 0.00 H ATOM 518 H TRP A 54 -20.431 28.582 73.488 1.00 0.00 H ATOM 519 N HIS A 55 -17.127 29.849 71.179 1.00 20.31 N ATOM 520 CA HIS A 55 -16.008 29.166 70.545 1.00 20.96 C ATOM 521 C HIS A 55 -14.719 29.886 70.944 1.00 18.47 C ATOM 522 O HIS A 55 -14.704 31.107 71.051 1.00 17.06 O ATOM 523 CB HIS A 55 -16.166 29.193 69.024 1.00 24.67 C ATOM 524 CG HIS A 55 -17.565 28.925 68.556 1.00 25.72 C ATOM 525 ND1 HIS A 55 -17.999 27.668 68.184 1.00 24.37 N ATOM 526 CD2 HIS A 55 -18.627 29.751 68.403 1.00 23.60 C ATOM 527 CE1 HIS A 55 -19.266 27.736 67.818 1.00 29.13 C ATOM 528 NE2 HIS A 55 -19.672 28.987 67.943 1.00 30.76 N ATOM 529 H HIS A 55 -17.193 30.884 71.106 1.00 0.00 H ATOM 530 N CYS A 56 -13.646 29.135 71.170 1.00 15.56 N ATOM 531 CA CYS A 56 -12.397 29.737 71.617 1.00 13.65 C ATOM 532 C CYS A 56 -11.198 29.275 70.791 1.00 16.42 C ATOM 533 O CYS A 56 -11.058 28.093 70.463 1.00 16.50 O ATOM 534 CB CYS A 56 -12.157 29.459 73.111 1.00 13.62 C ATOM 535 SG CYS A 56 -10.790 30.398 73.863 1.00 13.83 S ATOM 536 H CYS A 56 -13.699 28.106 71.026 1.00 0.00 H ATOM 537 N ILE A 57 -10.337 30.229 70.452 1.00 13.26 N ATOM 538 CA ILE A 57 -9.079 29.938 69.774 1.00 14.16 C ATOM 539 C ILE A 57 -7.943 30.567 70.577 1.00 10.99 C ATOM 540 O ILE A 57 -8.015 31.739 70.939 1.00 11.32 O ATOM 541 CB ILE A 57 -9.071 30.456 68.311 1.00 11.81 C ATOM 542 CG1 ILE A 57 -10.101 29.694 67.463 1.00 15.51 C ATOM 543 CG2 ILE A 57 -7.694 30.289 67.683 1.00 11.98 C ATOM 544 CD1 ILE A 57 -11.490 30.235 67.550 1.00 22.20 C ATOM 545 H ILE A 57 -10.568 31.217 70.678 1.00 0.00 H ATOM 546 N VAL A 58 -6.920 29.777 70.889 1.00 7.52 N ATOM 547 CA VAL A 58 -5.772 30.273 71.646 1.00 8.38 C ATOM 548 C VAL A 58 -4.509 29.948 70.880 1.00 7.34 C ATOM 549 O VAL A 58 -4.297 28.808 70.490 1.00 9.29 O ATOM 550 CB VAL A 58 -5.686 29.617 73.053 1.00 10.67 C ATOM 551 CG1 VAL A 58 -4.452 30.111 73.814 1.00 9.05 C ATOM 552 CG2 VAL A 58 -6.954 29.875 73.859 1.00 10.95 C ATOM 553 H VAL A 58 -6.937 28.782 70.587 1.00 0.00 H ATOM 554 N GLY A 59 -3.653 30.928 70.653 1.00 8.28 N ATOM 555 CA GLY A 59 -2.406 30.628 69.967 1.00 8.42 C ATOM 556 C GLY A 59 -1.448 31.797 69.922 1.00 13.09 C ATOM 557 O GLY A 59 -1.789 32.893 70.353 1.00 13.47 O ATOM 558 H GLY A 59 -3.867 31.898 70.960 1.00 0.00 H ATOM 559 N ARG A 60 -0.249 31.566 69.397 1.00 11.23 N ATOM 560 CA ARG A 60 0.698 32.651 69.189 1.00 11.14 C ATOM 561 C ARG A 60 0.709 33.128 67.741 1.00 15.72 C ATOM 562 O ARG A 60 1.108 34.259 67.447 1.00 15.23 O ATOM 563 CB ARG A 60 2.105 32.210 69.598 1.00 18.98 C ATOM 564 CG ARG A 60 2.226 31.819 71.060 1.00 24.67 C ATOM 565 CD ARG A 60 3.673 31.507 71.413 1.00 37.19 C ATOM 566 NE ARG A 60 4.233 30.514 70.502 1.00 47.13 N ATOM 567 CZ ARG A 60 5.534 30.294 70.338 1.00 66.66 C ATOM 568 NH1 ARG A 60 6.422 31.001 71.028 1.00 65.61 N ATOM 569 NH2 ARG A 60 5.948 29.368 69.480 1.00 61.39 N ATOM 570 HE ARG A 60 3.570 29.940 69.943 1.00 0.00 H ATOM 571 HH12 ARG A 60 7.439 30.827 70.898 1.00 0.00 H ATOM 572 HH11 ARG A 60 6.100 31.728 71.698 1.00 0.00 H ATOM 573 HH22 ARG A 60 6.966 29.196 69.352 1.00 0.00 H ATOM 574 HH21 ARG A 60 5.255 28.815 68.937 1.00 0.00 H ATOM 575 H ARG A 60 0.016 30.596 69.131 1.00 0.00 H ATOM 576 N ASN A 61 0.263 32.274 66.827 1.00 14.84 N ATOM 577 CA ASN A 61 0.266 32.651 65.420 1.00 14.70 C ATOM 578 C ASN A 61 -0.936 32.136 64.636 1.00 18.03 C ATOM 579 O ASN A 61 -1.006 30.957 64.270 1.00 10.65 O ATOM 580 CB ASN A 61 1.563 32.217 64.745 1.00 14.67 C ATOM 581 CG ASN A 61 1.585 32.567 63.283 1.00 23.40 C ATOM 582 OD1 ASN A 61 1.520 31.692 62.424 1.00 30.34 O ATOM 583 ND2 ASN A 61 1.626 33.858 62.988 1.00 17.31 N ATOM 584 HD22 ASN A 61 1.681 34.564 63.750 1.00 0.00 H ATOM 585 HD21 ASN A 61 1.603 34.165 61.995 1.00 0.00 H ATOM 586 H ASN A 61 -0.088 31.338 67.115 1.00 0.00 H ATOM 587 N PHE A 62 -1.889 33.032 64.409 1.00 9.77 N ATOM 588 CA PHE A 62 -3.045 32.741 63.581 1.00 12.11 C ATOM 589 C PHE A 62 -3.749 34.017 63.190 1.00 14.27 C ATOM 590 O PHE A 62 -3.637 35.039 63.871 1.00 12.15 O ATOM 591 CB PHE A 62 -4.039 31.815 64.288 1.00 10.63 C ATOM 592 CG PHE A 62 -4.679 32.411 65.516 1.00 11.84 C ATOM 593 CD1 PHE A 62 -5.939 32.984 65.449 1.00 9.61 C ATOM 594 CD2 PHE A 62 -4.031 32.382 66.740 1.00 9.02 C ATOM 595 CE1 PHE A 62 -6.536 33.514 66.573 1.00 12.25 C ATOM 596 CE2 PHE A 62 -4.623 32.918 67.871 1.00 9.00 C ATOM 597 CZ PHE A 62 -5.876 33.481 67.788 1.00 8.49 C ATOM 598 H PHE A 62 -1.804 33.975 64.839 1.00 0.00 H ATOM 599 N GLY A 63 -4.462 33.938 62.076 1.00 9.34 N ATOM 600 CA GLY A 63 -5.430 34.941 61.704 1.00 10.38 C ATOM 601 C GLY A 63 -6.804 34.306 61.620 1.00 11.44 C ATOM 602 O GLY A 63 -6.931 33.093 61.415 1.00 11.24 O ATOM 603 H GLY A 63 -4.319 33.123 61.446 1.00 0.00 H ATOM 604 N SER A 64 -7.841 35.116 61.787 1.00 9.97 N ATOM 605 CA SER A 64 -9.192 34.593 61.800 1.00 10.94 C ATOM 606 C SER A 64 -10.135 35.523 61.059 1.00 12.62 C ATOM 607 O SER A 64 -9.832 36.693 60.832 1.00 13.19 O ATOM 608 CB SER A 64 -9.690 34.422 63.236 1.00 13.99 C ATOM 609 OG SER A 64 -9.925 35.681 63.846 1.00 12.12 O ATOM 610 HG SER A 64 -9.083 36.201 63.861 1.00 0.00 H ATOM 611 H SER A 64 -7.683 36.137 61.910 1.00 0.00 H ATOM 612 N TYR A 65 -11.281 34.983 60.677 1.00 15.07 N ATOM 613 CA TYR A 65 -12.337 35.773 60.072 1.00 12.88 C ATOM 614 C TYR A 65 -13.614 35.045 60.419 1.00 14.75 C ATOM 615 O TYR A 65 -13.930 33.998 59.851 1.00 14.48 O ATOM 616 CB TYR A 65 -12.139 35.884 58.562 1.00 11.69 C ATOM 617 CG TYR A 65 -12.911 37.024 57.954 1.00 19.60 C ATOM 618 CD1 TYR A 65 -12.455 38.339 58.061 1.00 16.53 C ATOM 619 CD2 TYR A 65 -14.100 36.795 57.278 1.00 22.15 C ATOM 620 CE1 TYR A 65 -13.169 39.389 57.503 1.00 17.58 C ATOM 621 CE2 TYR A 65 -14.816 37.841 56.714 1.00 22.09 C ATOM 622 CZ TYR A 65 -14.345 39.131 56.830 1.00 20.60 C ATOM 623 OH TYR A 65 -15.066 40.166 56.276 1.00 32.51 O ATOM 624 HH TYR A 65 -14.597 41.021 56.445 1.00 0.00 H ATOM 625 H TYR A 65 -11.429 33.963 60.814 1.00 0.00 H ATOM 626 N VAL A 66 -14.319 35.585 61.403 1.00 13.69 N ATOM 627 CA VAL A 66 -15.454 34.902 62.001 1.00 20.48 C ATOM 628 C VAL A 66 -16.621 35.872 62.081 1.00 22.02 C ATOM 629 O VAL A 66 -16.426 37.092 62.050 1.00 21.74 O ATOM 630 CB VAL A 66 -15.123 34.412 63.432 1.00 15.39 C ATOM 631 CG1 VAL A 66 -13.812 33.645 63.441 1.00 12.81 C ATOM 632 CG2 VAL A 66 -15.056 35.597 64.393 1.00 18.00 C ATOM 633 H VAL A 66 -14.052 36.525 61.758 1.00 0.00 H ATOM 634 N THR A 67 -17.831 35.328 62.180 1.00 22.75 N ATOM 635 CA THR A 67 -19.017 36.155 62.352 1.00 26.33 C ATOM 636 C THR A 67 -19.586 35.941 63.750 1.00 26.30 C ATOM 637 O THR A 67 -19.936 34.830 64.133 1.00 24.99 O ATOM 638 CB THR A 67 -20.095 35.849 61.298 1.00 23.65 C ATOM 639 OG1 THR A 67 -19.506 35.852 59.991 1.00 24.20 O ATOM 640 CG2 THR A 67 -21.187 36.896 61.360 1.00 33.42 C ATOM 641 HG1 THR A 67 -19.112 36.742 59.810 1.00 0.00 H ATOM 642 H THR A 67 -17.932 34.294 62.134 1.00 0.00 H ATOM 643 N HIS A 68 -19.666 37.016 64.516 1.00 25.28 N ATOM 644 CA HIS A 68 -20.024 36.887 65.911 1.00 32.33 C ATOM 645 C HIS A 68 -21.306 37.626 66.222 1.00 33.32 C ATOM 646 O HIS A 68 -21.545 38.716 65.708 1.00 37.40 O ATOM 647 CB HIS A 68 -18.899 37.416 66.793 1.00 24.89 C ATOM 648 CG HIS A 68 -18.520 38.833 66.496 1.00 27.32 C ATOM 649 ND1 HIS A 68 -19.150 39.909 67.084 1.00 29.38 N ATOM 650 CD2 HIS A 68 -17.583 39.350 65.667 1.00 25.46 C ATOM 651 CE1 HIS A 68 -18.609 41.030 66.637 1.00 32.38 C ATOM 652 NE2 HIS A 68 -17.657 40.718 65.775 1.00 33.60 N ATOM 653 H HIS A 68 -19.471 37.955 64.115 1.00 0.00 H ATOM 654 N GLU A 69 -22.127 37.006 67.059 1.00 35.55 N ATOM 655 CA GLU A 69 -23.299 37.645 67.630 1.00 37.74 C ATOM 656 C GLU A 69 -22.858 38.897 68.384 1.00 40.60 C ATOM 657 O GLU A 69 -21.800 38.909 69.015 1.00 35.05 O ATOM 658 CB GLU A 69 -23.981 36.652 68.562 1.00 41.10 C ATOM 659 CG GLU A 69 -25.193 37.154 69.296 1.00 43.22 C ATOM 660 CD GLU A 69 -25.747 36.094 70.221 1.00 50.40 C ATOM 661 OE1 GLU A 69 -26.442 36.452 71.195 1.00 58.32 O ATOM 662 OE2 GLU A 69 -25.474 34.897 69.973 1.00 45.26 O ATOM 663 H GLU A 69 -21.922 36.020 67.317 1.00 0.00 H ATOM 664 N THR A 70 -23.660 39.954 68.300 1.00 42.76 N ATOM 665 CA THR A 70 -23.289 41.251 68.862 1.00 38.54 C ATOM 666 C THR A 70 -23.085 41.207 70.379 1.00 40.70 C ATOM 667 O THR A 70 -23.697 40.394 71.075 1.00 41.13 O ATOM 668 CB THR A 70 -24.335 42.330 68.515 1.00 48.93 C ATOM 669 OG1 THR A 70 -23.932 43.588 69.072 1.00 50.88 O ATOM 670 CG2 THR A 70 -25.709 41.941 69.059 1.00 42.77 C ATOM 671 HG1 THR A 70 -24.605 44.278 68.847 1.00 0.00 H ATOM 672 H THR A 70 -24.578 39.855 67.821 1.00 0.00 H ATOM 673 N ARG A 71 -22.203 42.074 70.874 1.00 40.76 N ATOM 674 CA ARG A 71 -21.906 42.170 72.307 1.00 41.50 C ATOM 675 C ARG A 71 -21.275 40.897 72.882 1.00 37.18 C ATOM 676 O ARG A 71 -21.174 40.733 74.101 1.00 34.90 O ATOM 677 CB ARG A 71 -23.157 42.573 73.101 1.00 41.59 C ATOM 678 CG ARG A 71 -23.646 43.976 72.786 1.00 40.45 C ATOM 679 CD ARG A 71 -22.677 45.021 73.314 1.00 41.24 C ATOM 680 NE ARG A 71 -22.793 45.180 74.761 1.00 44.93 N ATOM 681 CZ ARG A 71 -22.000 45.954 75.496 1.00 47.27 C ATOM 682 NH1 ARG A 71 -21.017 46.639 74.919 1.00 47.56 N ATOM 683 NH2 ARG A 71 -22.188 46.039 76.809 1.00 40.38 N ATOM 684 HE ARG A 71 -23.545 44.653 75.249 1.00 0.00 H ATOM 685 HH12 ARG A 71 -20.397 47.244 75.495 1.00 0.00 H ATOM 686 HH11 ARG A 71 -20.868 46.570 73.892 1.00 0.00 H ATOM 687 HH22 ARG A 71 -21.568 46.644 77.385 1.00 0.00 H ATOM 688 HH21 ARG A 71 -22.955 45.500 77.260 1.00 0.00 H ATOM 689 H ARG A 71 -21.705 42.709 70.218 1.00 0.00 H ATOM 690 N HIS A 72 -20.820 40.020 71.995 1.00 35.47 N ATOM 691 CA HIS A 72 -20.270 38.735 72.402 1.00 33.82 C ATOM 692 C HIS A 72 -19.010 38.381 71.619 1.00 28.98 C ATOM 693 O HIS A 72 -18.902 37.289 71.058 1.00 22.32 O ATOM 694 CB HIS A 72 -21.313 37.632 72.224 1.00 35.60 C ATOM 695 CG HIS A 72 -22.493 37.760 73.137 1.00 46.43 C ATOM 696 ND1 HIS A 72 -23.628 38.464 72.792 1.00 45.35 N ATOM 697 CD2 HIS A 72 -22.715 37.273 74.381 1.00 44.69 C ATOM 698 CE1 HIS A 72 -24.499 38.403 73.785 1.00 50.23 C ATOM 699 NE2 HIS A 72 -23.969 37.687 74.761 1.00 47.70 N ATOM 700 H HIS A 72 -20.857 40.257 70.983 1.00 0.00 H ATOM 701 N PHE A 73 -18.058 39.305 71.586 1.00 26.86 N ATOM 702 CA PHE A 73 -16.806 39.064 70.886 1.00 25.57 C ATOM 703 C PHE A 73 -15.658 39.716 71.633 1.00 25.58 C ATOM 704 O PHE A 73 -15.719 40.910 71.963 1.00 23.61 O ATOM 705 CB PHE A 73 -16.877 39.620 69.460 1.00 24.37 C ATOM 706 CG PHE A 73 -15.589 39.499 68.687 1.00 24.33 C ATOM 707 CD1 PHE A 73 -15.332 38.375 67.912 1.00 19.85 C ATOM 708 CD2 PHE A 73 -14.642 40.513 68.725 1.00 21.48 C ATOM 709 CE1 PHE A 73 -14.154 38.264 67.188 1.00 23.08 C ATOM 710 CE2 PHE A 73 -13.453 40.409 68.009 1.00 23.15 C ATOM 711 CZ PHE A 73 -13.208 39.280 67.242 1.00 25.89 C ATOM 712 H PHE A 73 -18.209 40.214 72.067 1.00 0.00 H ATOM 713 N ILE A 74 -14.608 38.940 71.888 1.00 19.67 N ATOM 714 CA ILE A 74 -13.378 39.509 72.415 1.00 16.66 C ATOM 715 C ILE A 74 -12.143 38.883 71.763 1.00 14.51 C ATOM 716 O ILE A 74 -12.116 37.701 71.441 1.00 13.53 O ATOM 717 CB ILE A 74 -13.297 39.429 73.960 1.00 13.33 C ATOM 718 CG1 ILE A 74 -12.209 40.385 74.475 1.00 18.70 C ATOM 719 CG2 ILE A 74 -13.088 37.988 74.420 1.00 17.45 C ATOM 720 CD1 ILE A 74 -12.101 40.471 75.984 1.00 17.01 C ATOM 721 H ILE A 74 -14.667 37.917 71.709 1.00 0.00 H ATOM 722 N TYR A 75 -11.134 39.711 71.544 1.00 14.14 N ATOM 723 CA TYR A 75 -9.854 39.257 71.044 1.00 11.84 C ATOM 724 C TYR A 75 -8.800 39.996 71.862 1.00 15.33 C ATOM 725 O TYR A 75 -8.744 41.233 71.857 1.00 15.38 O ATOM 726 CB TYR A 75 -9.732 39.561 69.541 1.00 11.28 C ATOM 727 CG TYR A 75 -8.363 39.261 68.971 1.00 13.98 C ATOM 728 CD1 TYR A 75 -7.848 37.966 68.991 1.00 13.65 C ATOM 729 CD2 TYR A 75 -7.589 40.267 68.410 1.00 14.80 C ATOM 730 CE1 TYR A 75 -6.597 37.690 68.480 1.00 11.54 C ATOM 731 CE2 TYR A 75 -6.344 40.003 67.888 1.00 12.66 C ATOM 732 CZ TYR A 75 -5.849 38.715 67.932 1.00 16.87 C ATOM 733 OH TYR A 75 -4.604 38.452 67.422 1.00 16.08 O ATOM 734 HH TYR A 75 -4.586 38.688 66.461 1.00 0.00 H ATOM 735 H TYR A 75 -11.266 40.724 71.738 1.00 0.00 H ATOM 736 N PHE A 76 -7.980 39.244 72.585 1.00 9.53 N ATOM 737 CA PHE A 76 -7.026 39.851 73.502 1.00 11.63 C ATOM 738 C PHE A 76 -5.755 39.030 73.650 1.00 9.24 C ATOM 739 O PHE A 76 -5.741 37.830 73.364 1.00 11.83 O ATOM 740 CB PHE A 76 -7.673 40.094 74.874 1.00 14.19 C ATOM 741 CG PHE A 76 -8.055 38.828 75.627 1.00 12.59 C ATOM 742 CD1 PHE A 76 -7.262 38.352 76.654 1.00 12.78 C ATOM 743 CD2 PHE A 76 -9.219 38.139 75.325 1.00 13.84 C ATOM 744 CE1 PHE A 76 -7.617 37.213 77.363 1.00 12.13 C ATOM 745 CE2 PHE A 76 -9.576 36.991 76.027 1.00 11.50 C ATOM 746 CZ PHE A 76 -8.772 36.529 77.043 1.00 11.68 C ATOM 747 H PHE A 76 -8.019 38.209 72.496 1.00 0.00 H ATOM 748 N TYR A 77 -4.681 39.690 74.061 1.00 11.09 N ATOM 749 CA TYR A 77 -3.456 38.990 74.411 1.00 8.72 C ATOM 750 C TYR A 77 -3.442 38.802 75.911 1.00 12.16 C ATOM 751 O TYR A 77 -3.832 39.696 76.652 1.00 12.45 O ATOM 752 CB TYR A 77 -2.215 39.797 74.024 1.00 14.90 C ATOM 753 CG TYR A 77 -1.983 39.985 72.543 1.00 18.89 C ATOM 754 CD1 TYR A 77 -2.805 39.387 71.597 1.00 16.74 C ATOM 755 CD2 TYR A 77 -0.913 40.757 72.090 1.00 35.43 C ATOM 756 CE1 TYR A 77 -2.577 39.559 70.236 1.00 18.26 C ATOM 757 CE2 TYR A 77 -0.677 40.938 70.734 1.00 30.88 C ATOM 758 CZ TYR A 77 -1.513 40.336 69.812 1.00 28.74 C ATOM 759 OH TYR A 77 -1.277 40.516 68.466 1.00 34.03 O ATOM 760 HH TYR A 77 -1.959 40.024 67.944 1.00 0.00 H ATOM 761 H TYR A 77 -4.716 40.727 74.134 1.00 0.00 H ATOM 762 N LEU A 78 -2.971 37.650 76.362 1.00 10.89 N ATOM 763 CA LEU A 78 -2.716 37.459 77.775 1.00 11.01 C ATOM 764 C LEU A 78 -1.322 36.891 77.847 1.00 20.68 C ATOM 765 O LEU A 78 -1.114 35.705 77.577 1.00 19.42 O ATOM 766 CB LEU A 78 -3.714 36.482 78.396 1.00 11.09 C ATOM 767 CG LEU A 78 -4.425 36.839 79.706 1.00 22.41 C ATOM 768 CD1 LEU A 78 -4.820 35.565 80.440 1.00 16.88 C ATOM 769 CD2 LEU A 78 -3.605 37.768 80.616 1.00 17.79 C ATOM 770 H LEU A 78 -2.782 36.874 75.695 1.00 0.00 H ATOM 771 N GLY A 79 -0.360 37.740 78.187 1.00 25.28 N ATOM 772 CA GLY A 79 1.027 37.328 78.192 1.00 29.64 C ATOM 773 C GLY A 79 1.466 37.035 76.773 1.00 31.65 C ATOM 774 O GLY A 79 1.346 37.884 75.890 1.00 30.96 O ATOM 775 H GLY A 79 -0.607 38.715 78.453 1.00 0.00 H ATOM 776 N GLN A 80 1.935 35.813 76.543 1.00 40.45 N ATOM 777 CA GLN A 80 2.519 35.457 75.255 1.00 41.95 C ATOM 778 C GLN A 80 1.605 34.680 74.309 1.00 29.71 C ATOM 779 O GLN A 80 2.092 34.006 73.404 1.00 27.42 O ATOM 780 CB GLN A 80 3.838 34.699 75.454 1.00 43.55 C ATOM 781 CG GLN A 80 5.002 35.608 75.822 1.00 50.89 C ATOM 782 CD GLN A 80 5.038 36.881 74.983 1.00 56.25 C ATOM 783 OE1 GLN A 80 4.866 36.845 73.761 1.00 55.79 O ATOM 784 NE2 GLN A 80 5.248 38.016 75.644 1.00 50.65 N ATOM 785 HE22 GLN A 80 5.388 37.999 76.674 1.00 0.00 H ATOM 786 HE21 GLN A 80 5.272 38.920 75.130 1.00 0.00 H ATOM 787 H GLN A 80 1.885 35.097 77.296 1.00 0.00 H ATOM 788 N VAL A 81 0.295 34.773 74.513 1.00 20.37 N ATOM 789 CA VAL A 81 -0.660 34.109 73.629 1.00 16.17 C ATOM 790 C VAL A 81 -1.790 35.067 73.302 1.00 16.22 C ATOM 791 O VAL A 81 -2.055 36.015 74.053 1.00 14.07 O ATOM 792 CB VAL A 81 -1.283 32.849 74.270 1.00 17.56 C ATOM 793 CG1 VAL A 81 -0.238 31.761 74.473 1.00 26.06 C ATOM 794 CG2 VAL A 81 -1.958 33.206 75.574 1.00 17.82 C ATOM 795 H VAL A 81 -0.057 35.329 75.318 1.00 0.00 H ATOM 796 N ALA A 82 -2.444 34.824 72.171 1.00 10.93 N ATOM 797 CA ALA A 82 -3.611 35.597 71.773 1.00 12.64 C ATOM 798 C ALA A 82 -4.827 34.718 71.971 1.00 10.82 C ATOM 799 O ALA A 82 -4.772 33.499 71.742 1.00 12.06 O ATOM 800 CB ALA A 82 -3.505 36.040 70.320 1.00 13.00 C ATOM 801 H ALA A 82 -2.112 34.058 71.551 1.00 0.00 H ATOM 802 N ILE A 83 -5.930 35.324 72.391 1.00 8.33 N ATOM 803 CA ILE A 83 -7.135 34.558 72.650 1.00 11.09 C ATOM 804 C ILE A 83 -8.325 35.166 71.944 1.00 10.68 C ATOM 805 O ILE A 83 -8.617 36.351 72.107 1.00 9.29 O ATOM 806 CB ILE A 83 -7.428 34.432 74.159 1.00 10.10 C ATOM 807 CG1 ILE A 83 -6.244 33.761 74.853 1.00 13.51 C ATOM 808 CG2 ILE A 83 -8.722 33.650 74.383 1.00 10.09 C ATOM 809 CD1 ILE A 83 -6.328 33.743 76.341 1.00 10.79 C ATOM 810 H ILE A 83 -5.931 36.354 72.535 1.00 0.00 H ATOM 811 N LEU A 84 -9.004 34.329 71.165 1.00 10.20 N ATOM 812 CA LEU A 84 -10.226 34.713 70.476 1.00 16.25 C ATOM 813 C LEU A 84 -11.385 33.953 71.104 1.00 13.84 C ATOM 814 O LEU A 84 -11.353 32.727 71.192 1.00 12.84 O ATOM 815 CB LEU A 84 -10.121 34.375 68.988 1.00 19.22 C ATOM 816 CG LEU A 84 -11.394 34.556 68.159 1.00 15.94 C ATOM 817 CD1 LEU A 84 -11.883 35.984 68.264 1.00 19.14 C ATOM 818 CD2 LEU A 84 -11.147 34.170 66.720 1.00 13.04 C ATOM 819 H LEU A 84 -8.647 33.360 71.043 1.00 0.00 H ATOM 820 N LEU A 85 -12.396 34.689 71.552 1.00 14.21 N ATOM 821 CA LEU A 85 -13.559 34.093 72.198 1.00 14.96 C ATOM 822 C LEU A 85 -14.818 34.793 71.704 1.00 17.85 C ATOM 823 O LEU A 85 -14.892 36.027 71.726 1.00 18.38 O ATOM 824 CB LEU A 85 -13.443 34.240 73.719 1.00 21.73 C ATOM 825 CG LEU A 85 -14.642 33.804 74.564 1.00 21.17 C ATOM 826 CD1 LEU A 85 -14.834 32.304 74.473 1.00 19.12 C ATOM 827 CD2 LEU A 85 -14.434 34.236 76.001 1.00 22.61 C ATOM 828 H LEU A 85 -12.357 35.722 71.438 1.00 0.00 H ATOM 829 N PHE A 86 -15.808 34.019 71.261 1.00 21.65 N ATOM 830 CA PHE A 86 -16.994 34.625 70.665 1.00 22.55 C ATOM 831 C PHE A 86 -18.213 33.716 70.584 1.00 21.90 C ATOM 832 O PHE A 86 -18.090 32.499 70.517 1.00 24.63 O ATOM 833 CB PHE A 86 -16.662 35.170 69.265 1.00 23.58 C ATOM 834 CG PHE A 86 -16.410 34.101 68.229 1.00 22.79 C ATOM 835 CD1 PHE A 86 -17.403 33.744 67.325 1.00 22.07 C ATOM 836 CD2 PHE A 86 -15.178 33.467 68.146 1.00 21.31 C ATOM 837 CE1 PHE A 86 -17.183 32.774 66.371 1.00 17.81 C ATOM 838 CE2 PHE A 86 -14.954 32.492 67.190 1.00 18.87 C ATOM 839 CZ PHE A 86 -15.965 32.145 66.301 1.00 24.02 C ATOM 840 H PHE A 86 -15.735 32.985 71.340 1.00 0.00 H ATOM 841 N LYS A 87 -19.393 34.329 70.587 1.00 27.69 N ATOM 842 CA LYS A 87 -20.636 33.631 70.261 1.00 30.55 C ATOM 843 C LYS A 87 -20.913 33.832 68.778 1.00 32.01 C ATOM 844 O LYS A 87 -20.822 34.957 68.285 1.00 33.13 O ATOM 845 CB LYS A 87 -21.807 34.197 71.065 1.00 33.14 C ATOM 846 CG LYS A 87 -22.066 33.520 72.393 1.00 36.80 C ATOM 847 CD LYS A 87 -23.439 33.917 72.922 1.00 39.14 C ATOM 848 CE LYS A 87 -23.863 33.019 74.075 1.00 42.10 C ATOM 849 NZ LYS A 87 -25.319 33.131 74.391 1.00 38.76 N ATOM 850 HZ1 LYS A 87 -25.541 34.112 74.654 1.00 0.00 H ATOM 851 HZ2 LYS A 87 -25.876 32.860 73.555 1.00 0.00 H ATOM 852 HZ3 LYS A 87 -25.550 32.498 75.183 1.00 0.00 H ATOM 853 H LYS A 87 -19.433 35.340 70.830 1.00 0.00 H ATOM 854 N SER A 88 -21.265 32.757 68.078 1.00 27.07 N ATOM 855 CA SER A 88 -21.373 32.781 66.617 1.00 32.04 C ATOM 856 C SER A 88 -22.211 33.931 66.060 1.00 40.02 C ATOM 857 O SER A 88 -23.412 33.790 65.849 1.00 37.47 O ATOM 858 CB SER A 88 -21.924 31.454 66.103 1.00 36.94 C ATOM 859 OG SER A 88 -21.886 31.408 64.685 1.00 39.77 O ATOM 860 HG SER A 88 -20.950 31.506 64.378 1.00 0.00 H ATOM 861 H SER A 88 -21.470 31.872 68.584 1.00 0.00 H TER 862 SER A 88 ATOM 863 N ARG B 4 1.134 23.535 49.531 1.00 35.69 N ATOM 864 CA ARG B 4 1.368 22.421 48.620 1.00 36.68 C ATOM 865 C ARG B 4 0.782 21.117 49.149 1.00 32.99 C ATOM 866 O ARG B 4 -0.230 20.630 48.641 1.00 32.31 O ATOM 867 CB ARG B 4 2.863 22.236 48.348 1.00 37.61 C ATOM 868 CG ARG B 4 3.411 23.085 47.215 1.00 28.57 C ATOM 869 CD ARG B 4 2.450 23.144 46.031 1.00 47.85 C ATOM 870 NE ARG B 4 2.118 21.828 45.485 1.00 52.13 N ATOM 871 CZ ARG B 4 2.855 21.196 44.577 1.00 54.08 C ATOM 872 NH1 ARG B 4 3.972 21.759 44.123 1.00 45.09 N ATOM 873 NH2 ARG B 4 2.482 20.001 44.128 1.00 39.75 N ATOM 874 HE ARG B 4 1.255 21.360 45.827 1.00 0.00 H ATOM 875 HH12 ARG B 4 4.551 21.267 43.413 1.00 0.00 H ATOM 876 HH11 ARG B 4 4.266 22.691 44.479 1.00 0.00 H ATOM 877 HH22 ARG B 4 3.060 19.509 43.418 1.00 0.00 H ATOM 878 HH21 ARG B 4 1.612 19.559 44.487 1.00 0.00 H ATOM 879 HN3 ARG B 4 1.576 23.329 50.449 1.00 0.00 H ATOM 880 HN2 ARG B 4 0.110 23.667 49.659 1.00 0.00 H ATOM 881 HN1 ARG B 4 1.549 24.401 49.132 1.00 0.00 H ATOM 882 N LYS B 5 1.421 20.560 50.174 1.00 28.72 N ATOM 883 CA LYS B 5 1.005 19.276 50.728 1.00 25.83 C ATOM 884 C LYS B 5 -0.209 19.390 51.640 1.00 28.80 C ATOM 885 O LYS B 5 -0.139 19.993 52.713 1.00 30.04 O ATOM 886 CB LYS B 5 2.157 18.605 51.480 1.00 25.73 C ATOM 887 CG LYS B 5 1.754 17.308 52.165 1.00 26.09 C ATOM 888 CD LYS B 5 2.902 16.709 52.968 1.00 36.66 C ATOM 889 CE LYS B 5 2.469 15.447 53.689 1.00 39.77 C ATOM 890 NZ LYS B 5 3.596 14.803 54.429 1.00 46.53 N ATOM 891 HZ1 LYS B 5 4.350 14.550 53.758 1.00 0.00 H ATOM 892 HZ2 LYS B 5 3.969 15.468 55.137 1.00 0.00 H ATOM 893 HZ3 LYS B 5 3.251 13.945 54.905 1.00 0.00 H ATOM 894 H LYS B 5 2.237 21.052 50.591 1.00 0.00 H ATOM 895 N ALA B 6 -1.320 18.803 51.208 1.00 20.38 N ATOM 896 CA ALA B 6 -2.536 18.776 52.009 1.00 19.78 C ATOM 897 C ALA B 6 -2.579 17.539 52.896 1.00 29.68 C ATOM 898 O ALA B 6 -2.262 16.438 52.445 1.00 29.94 O ATOM 899 CB ALA B 6 -3.759 18.818 51.114 1.00 19.73 C ATOM 900 H ALA B 6 -1.321 18.350 50.272 1.00 0.00 H ATOM 901 N VAL B 7 -2.962 17.732 54.157 1.00 23.78 N ATOM 902 CA VAL B 7 -3.156 16.635 55.105 1.00 20.42 C ATOM 903 C VAL B 7 -4.396 16.934 55.949 1.00 25.91 C ATOM 904 O VAL B 7 -4.435 17.928 56.672 1.00 24.80 O ATOM 905 CB VAL B 7 -1.926 16.454 56.023 1.00 14.34 C ATOM 906 CG1 VAL B 7 -2.168 15.351 57.050 1.00 25.08 C ATOM 907 CG2 VAL B 7 -0.687 16.149 55.215 1.00 15.66 C ATOM 908 H VAL B 7 -3.131 18.705 54.482 1.00 0.00 H ATOM 909 N ILE B 8 -5.421 16.097 55.849 1.00 15.14 N ATOM 910 CA ILE B 8 -6.636 16.318 56.623 1.00 20.48 C ATOM 911 C ILE B 8 -6.523 15.670 58.011 1.00 31.53 C ATOM 912 O ILE B 8 -6.272 14.473 58.119 1.00 28.09 O ATOM 913 CB ILE B 8 -7.886 15.794 55.891 1.00 23.20 C ATOM 914 CG1 ILE B 8 -8.077 16.530 54.565 1.00 24.48 C ATOM 915 CG2 ILE B 8 -9.121 15.958 56.758 1.00 24.63 C ATOM 916 CD1 ILE B 8 -7.580 15.756 53.367 1.00 33.24 C ATOM 917 H ILE B 8 -5.357 15.277 55.213 1.00 0.00 H ATOM 918 N LYS B 9 -6.706 16.463 59.066 1.00 26.64 N ATOM 919 CA LYS B 9 -6.500 15.979 60.431 1.00 25.41 C ATOM 920 C LYS B 9 -7.778 15.459 61.063 1.00 28.18 C ATOM 921 O LYS B 9 -7.827 14.329 61.541 1.00 33.77 O ATOM 922 CB LYS B 9 -5.904 17.079 61.311 1.00 26.18 C ATOM 923 CG LYS B 9 -4.591 17.610 60.803 1.00 20.33 C ATOM 924 CD LYS B 9 -3.516 16.534 60.791 1.00 25.24 C ATOM 925 CE LYS B 9 -2.197 17.115 60.297 1.00 28.67 C ATOM 926 NZ LYS B 9 -1.074 16.140 60.310 1.00 34.93 N ATOM 927 HZ1 LYS B 9 -0.921 15.803 61.282 1.00 0.00 H ATOM 928 HZ2 LYS B 9 -1.309 15.335 59.695 1.00 0.00 H ATOM 929 HZ3 LYS B 9 -0.210 16.603 59.962 1.00 0.00 H ATOM 930 H LYS B 9 -7.002 17.449 58.916 1.00 0.00 H ATOM 931 N ASN B 10 -8.801 16.302 61.093 1.00 23.33 N ATOM 932 CA ASN B 10 -10.134 15.884 61.495 1.00 25.73 C ATOM 933 C ASN B 10 -11.103 16.460 60.501 1.00 25.78 C ATOM 934 O ASN B 10 -10.971 17.615 60.105 1.00 29.98 O ATOM 935 CB ASN B 10 -10.493 16.394 62.886 1.00 26.83 C ATOM 936 CG ASN B 10 -9.452 16.045 63.915 1.00 39.42 C ATOM 937 OD1 ASN B 10 -9.433 14.933 64.439 1.00 44.96 O ATOM 938 ND2 ASN B 10 -8.573 16.995 64.216 1.00 40.22 N ATOM 939 HD22 ASN B 10 -8.628 17.922 63.747 1.00 0.00 H ATOM 940 HD21 ASN B 10 -7.830 16.812 64.921 1.00 0.00 H ATOM 941 H ASN B 10 -8.645 17.293 60.820 1.00 0.00 H ATOM 942 N ALA B 11 -12.074 15.660 60.088 1.00 21.13 N ATOM 943 CA ALA B 11 -13.100 16.132 59.170 1.00 18.91 C ATOM 944 C ALA B 11 -14.449 15.502 59.480 1.00 32.67 C ATOM 945 O ALA B 11 -14.589 14.279 59.497 1.00 28.16 O ATOM 946 CB ALA B 11 -12.702 15.845 57.731 1.00 25.84 C ATOM 947 H ALA B 11 -12.104 14.677 60.426 1.00 0.00 H ATOM 948 N ASP B 12 -15.426 16.357 59.756 1.00 27.74 N ATOM 949 CA ASP B 12 -16.818 15.960 59.819 1.00 34.98 C ATOM 950 C ASP B 12 -17.449 16.648 58.622 1.00 32.26 C ATOM 951 O ASP B 12 -18.095 17.679 58.768 1.00 36.33 O ATOM 952 CB ASP B 12 -17.449 16.471 61.113 1.00 30.19 C ATOM 953 CG ASP B 12 -18.896 16.064 61.259 1.00 37.40 C ATOM 954 OD1 ASP B 12 -19.431 15.415 60.337 1.00 39.52 O ATOM 955 OD2 ASP B 12 -19.507 16.403 62.294 1.00 42.06 O ATOM 956 H ASP B 12 -15.182 17.352 59.934 1.00 0.00 H ATOM 957 N MET B 13 -17.239 16.091 57.436 1.00 34.17 N ATOM 958 CA MET B 13 -17.584 16.787 56.201 1.00 35.10 C ATOM 959 C MET B 13 -17.427 15.822 55.030 1.00 34.78 C ATOM 960 O MET B 13 -16.581 14.931 55.078 1.00 27.37 O ATOM 961 CB MET B 13 -16.668 18.009 56.037 1.00 30.98 C ATOM 962 CG MET B 13 -16.721 18.721 54.700 1.00 31.78 C ATOM 963 SD MET B 13 -15.583 20.135 54.663 1.00 26.17 S ATOM 964 CE MET B 13 -16.448 21.280 55.730 1.00 18.77 C ATOM 965 H MET B 13 -16.821 15.140 57.386 1.00 0.00 H ATOM 966 N SER B 14 -18.245 15.987 53.991 1.00 35.22 N ATOM 967 CA SER B 14 -18.206 15.085 52.841 1.00 35.21 C ATOM 968 C SER B 14 -16.835 15.117 52.185 1.00 37.28 C ATOM 969 O SER B 14 -16.095 16.089 52.337 1.00 33.46 O ATOM 970 CB SER B 14 -19.254 15.484 51.805 1.00 35.74 C ATOM 971 OG SER B 14 -18.769 16.539 50.988 1.00 40.17 O ATOM 972 HG SER B 14 -19.460 16.784 50.323 1.00 0.00 H ATOM 973 H SER B 14 -18.925 16.774 53.998 1.00 0.00 H ATOM 974 N GLU B 15 -16.504 14.062 51.444 1.00 26.93 N ATOM 975 CA GLU B 15 -15.193 13.965 50.817 1.00 27.57 C ATOM 976 C GLU B 15 -15.042 15.007 49.722 1.00 33.83 C ATOM 977 O GLU B 15 -13.937 15.487 49.450 1.00 31.63 O ATOM 978 CB GLU B 15 -14.962 12.565 50.261 1.00 34.14 C ATOM 979 CG GLU B 15 -14.763 11.514 51.336 1.00 43.22 C ATOM 980 CD GLU B 15 -13.332 11.016 51.406 1.00 53.00 C ATOM 981 OE1 GLU B 15 -12.926 10.263 50.494 1.00 57.48 O ATOM 982 OE2 GLU B 15 -12.614 11.374 52.368 1.00 51.97 O ATOM 983 H GLU B 15 -17.193 13.294 51.311 1.00 0.00 H ATOM 984 N GLU B 16 -16.162 15.367 49.107 1.00 33.62 N ATOM 985 CA GLU B 16 -16.148 16.358 48.041 1.00 38.65 C ATOM 986 C GLU B 16 -15.938 17.759 48.598 1.00 30.22 C ATOM 987 O GLU B 16 -15.121 18.520 48.084 1.00 27.21 O ATOM 988 CB GLU B 16 -17.448 16.310 47.239 1.00 39.25 C ATOM 989 CG GLU B 16 -17.482 17.279 46.070 1.00 34.02 C ATOM 990 CD GLU B 16 -18.755 17.150 45.250 1.00 47.95 C ATOM 991 OE1 GLU B 16 -19.763 16.654 45.794 1.00 49.32 O ATOM 992 OE2 GLU B 16 -18.750 17.536 44.062 1.00 48.42 O ATOM 993 H GLU B 16 -17.064 14.934 49.391 1.00 0.00 H ATOM 994 N MET B 17 -16.689 18.098 49.641 1.00 31.54 N ATOM 995 CA MET B 17 -16.612 19.427 50.228 1.00 33.30 C ATOM 996 C MET B 17 -15.278 19.611 50.950 1.00 31.61 C ATOM 997 O MET B 17 -14.811 20.735 51.129 1.00 29.28 O ATOM 998 CB MET B 17 -17.785 19.674 51.176 1.00 33.00 C ATOM 999 CG MET B 17 -17.930 21.128 51.598 1.00 35.62 C ATOM 1000 SD MET B 17 -19.160 21.377 52.891 1.00 55.10 S ATOM 1001 CE MET B 17 -20.653 20.968 51.995 1.00 31.77 C ATOM 1002 H MET B 17 -17.345 17.399 50.045 1.00 0.00 H ATOM 1003 N GLN B 18 -14.672 18.502 51.365 1.00 29.11 N ATOM 1004 CA GLN B 18 -13.316 18.522 51.891 1.00 30.81 C ATOM 1005 C GLN B 18 -12.350 18.934 50.793 1.00 32.54 C ATOM 1006 O GLN B 18 -11.551 19.849 50.970 1.00 23.67 O ATOM 1007 CB GLN B 18 -12.902 17.146 52.416 1.00 29.63 C ATOM 1008 CG GLN B 18 -13.414 16.795 53.803 1.00 34.67 C ATOM 1009 CD GLN B 18 -12.990 15.401 54.229 1.00 28.95 C ATOM 1010 OE1 GLN B 18 -11.818 15.035 54.129 1.00 30.02 O ATOM 1011 NE2 GLN B 18 -13.948 14.610 54.691 1.00 33.49 N ATOM 1012 HE22 GLN B 18 -14.925 14.961 54.758 1.00 0.00 H ATOM 1013 HE21 GLN B 18 -13.723 13.638 54.986 1.00 0.00 H ATOM 1014 H GLN B 18 -15.181 17.597 51.312 1.00 0.00 H ATOM 1015 N GLN B 19 -12.416 18.240 49.660 1.00 30.64 N ATOM 1016 CA GLN B 19 -11.514 18.517 48.548 1.00 23.83 C ATOM 1017 C GLN B 19 -11.694 19.953 48.054 1.00 26.19 C ATOM 1018 O GLN B 19 -10.743 20.595 47.609 1.00 27.81 O ATOM 1019 CB GLN B 19 -11.728 17.509 47.417 1.00 31.04 C ATOM 1020 CG GLN B 19 -10.903 17.789 46.174 1.00 27.00 C ATOM 1021 CD GLN B 19 -9.417 17.677 46.420 1.00 27.78 C ATOM 1022 OE1 GLN B 19 -8.918 16.619 46.799 1.00 26.71 O ATOM 1023 NE2 GLN B 19 -8.696 18.772 46.202 1.00 29.18 N ATOM 1024 HE22 GLN B 19 -9.161 19.645 45.882 1.00 0.00 H ATOM 1025 HE21 GLN B 19 -7.667 18.755 46.352 1.00 0.00 H ATOM 1026 H GLN B 19 -13.125 17.485 49.565 1.00 0.00 H ATOM 1027 N ASP B 20 -12.917 20.457 48.156 1.00 23.03 N ATOM 1028 CA ASP B 20 -13.196 21.849 47.834 1.00 27.30 C ATOM 1029 C ASP B 20 -12.472 22.805 48.795 1.00 25.54 C ATOM 1030 O ASP B 20 -11.892 23.806 48.368 1.00 24.60 O ATOM 1031 CB ASP B 20 -14.699 22.109 47.892 1.00 28.77 C ATOM 1032 CG ASP B 20 -15.163 23.063 46.813 1.00 41.97 C ATOM 1033 OD1 ASP B 20 -14.615 22.991 45.688 1.00 43.48 O ATOM 1034 OD2 ASP B 20 -16.070 23.882 47.091 1.00 44.42 O ATOM 1035 H ASP B 20 -13.694 19.843 48.473 1.00 0.00 H ATOM 1036 N ALA B 21 -12.523 22.490 50.089 1.00 24.29 N ATOM 1037 CA ALA B 21 -11.880 23.308 51.119 1.00 21.79 C ATOM 1038 C ALA B 21 -10.395 23.435 50.845 1.00 16.54 C ATOM 1039 O ALA B 21 -9.821 24.514 50.989 1.00 23.26 O ATOM 1040 CB ALA B 21 -12.127 22.720 52.501 1.00 18.63 C ATOM 1041 H ALA B 21 -13.037 21.633 50.377 1.00 0.00 H ATOM 1042 N VAL B 22 -9.780 22.328 50.442 1.00 17.76 N ATOM 1043 CA VAL B 22 -8.381 22.308 50.015 1.00 17.72 C ATOM 1044 C VAL B 22 -8.139 23.184 48.774 1.00 20.43 C ATOM 1045 O VAL B 22 -7.208 23.994 48.749 1.00 16.56 O ATOM 1046 CB VAL B 22 -7.904 20.858 49.716 1.00 17.86 C ATOM 1047 CG1 VAL B 22 -6.535 20.855 49.075 1.00 21.41 C ATOM 1048 CG2 VAL B 22 -7.906 20.004 50.989 1.00 21.69 C ATOM 1049 H VAL B 22 -10.317 21.437 50.430 1.00 0.00 H ATOM 1050 N ASP B 23 -8.972 23.014 47.747 1.00 18.73 N ATOM 1051 CA ASP B 23 -8.829 23.793 46.510 1.00 19.48 C ATOM 1052 C ASP B 23 -9.010 25.296 46.768 1.00 15.71 C ATOM 1053 O ASP B 23 -8.254 26.123 46.254 1.00 21.58 O ATOM 1054 CB ASP B 23 -9.825 23.318 45.446 1.00 17.89 C ATOM 1055 CG ASP B 23 -9.604 21.865 45.036 1.00 26.91 C ATOM 1056 OD1 ASP B 23 -8.566 21.276 45.411 1.00 32.31 O ATOM 1057 OD2 ASP B 23 -10.470 21.314 44.326 1.00 27.28 O ATOM 1058 H ASP B 23 -9.739 22.316 47.823 1.00 0.00 H ATOM 1059 N CYS B 24 -10.015 25.628 47.572 1.00 17.46 N ATOM 1060 CA CYS B 24 -10.278 27.005 47.953 1.00 17.53 C ATOM 1061 C CYS B 24 -9.129 27.615 48.769 1.00 20.57 C ATOM 1062 O CYS B 24 -8.735 28.757 48.543 1.00 18.38 O ATOM 1063 CB CYS B 24 -11.585 27.090 48.732 1.00 16.89 C ATOM 1064 SG CYS B 24 -11.993 28.759 49.285 1.00 26.73 S ATOM 1065 H CYS B 24 -10.633 24.877 47.940 1.00 0.00 H ATOM 1066 N ALA B 25 -8.587 26.855 49.716 1.00 15.89 N ATOM 1067 CA ALA B 25 -7.475 27.352 50.517 1.00 14.87 C ATOM 1068 C ALA B 25 -6.234 27.547 49.649 1.00 17.24 C ATOM 1069 O ALA B 25 -5.444 28.472 49.867 1.00 14.62 O ATOM 1070 CB ALA B 25 -7.191 26.418 51.680 1.00 15.19 C ATOM 1071 H ALA B 25 -8.959 25.899 49.886 1.00 0.00 H ATOM 1072 N THR B 26 -6.074 26.688 48.644 1.00 17.58 N ATOM 1073 CA THR B 26 -4.940 26.793 47.726 1.00 13.04 C ATOM 1074 C THR B 26 -5.020 28.111 46.942 1.00 16.28 C ATOM 1075 O THR B 26 -4.014 28.805 46.783 1.00 17.63 O ATOM 1076 CB THR B 26 -4.880 25.583 46.766 1.00 18.12 C ATOM 1077 OG1 THR B 26 -4.665 24.389 47.524 1.00 18.25 O ATOM 1078 CG2 THR B 26 -3.755 25.739 45.762 1.00 19.27 C ATOM 1079 HG1 THR B 26 -5.410 24.268 48.165 1.00 0.00 H ATOM 1080 H THR B 26 -6.770 25.927 48.509 1.00 0.00 H ATOM 1081 N GLN B 27 -6.225 28.458 46.496 1.00 15.07 N ATOM 1082 CA GLN B 27 -6.479 29.743 45.842 1.00 23.70 C ATOM 1083 C GLN B 27 -6.135 30.906 46.767 1.00 23.33 C ATOM 1084 O GLN B 27 -5.554 31.899 46.335 1.00 18.40 O ATOM 1085 CB GLN B 27 -7.944 29.860 45.417 1.00 22.68 C ATOM 1086 CG GLN B 27 -8.381 28.844 44.368 1.00 35.30 C ATOM 1087 CD GLN B 27 -9.838 29.001 43.955 1.00 37.60 C ATOM 1088 OE1 GLN B 27 -10.691 29.395 44.755 1.00 33.93 O ATOM 1089 NE2 GLN B 27 -10.129 28.691 42.696 1.00 47.98 N ATOM 1090 HE22 GLN B 27 -9.379 28.363 42.055 1.00 0.00 H ATOM 1091 HE21 GLN B 27 -11.107 28.777 42.352 1.00 0.00 H ATOM 1092 H GLN B 27 -7.015 27.792 46.616 1.00 0.00 H ATOM 1093 N ALA B 28 -6.501 30.774 48.040 1.00 18.77 N ATOM 1094 CA ALA B 28 -6.253 31.826 49.029 1.00 13.98 C ATOM 1095 C ALA B 28 -4.774 32.087 49.235 1.00 15.14 C ATOM 1096 O ALA B 28 -4.345 33.245 49.308 1.00 17.96 O ATOM 1097 CB ALA B 28 -6.917 31.484 50.360 1.00 14.93 C ATOM 1098 H ALA B 28 -6.976 29.899 48.341 1.00 0.00 H ATOM 1099 N LEU B 29 -3.998 31.011 49.337 1.00 12.83 N ATOM 1100 CA LEU B 29 -2.556 31.113 49.541 1.00 19.11 C ATOM 1101 C LEU B 29 -1.856 31.670 48.309 1.00 15.22 C ATOM 1102 O LEU B 29 -0.820 32.322 48.417 1.00 18.87 O ATOM 1103 CB LEU B 29 -1.958 29.749 49.907 1.00 16.80 C ATOM 1104 CG LEU B 29 -2.416 29.121 51.222 1.00 13.77 C ATOM 1105 CD1 LEU B 29 -1.824 27.725 51.361 1.00 16.94 C ATOM 1106 CD2 LEU B 29 -2.006 29.989 52.394 1.00 18.24 C ATOM 1107 H LEU B 29 -4.432 30.068 49.269 1.00 0.00 H ATOM 1108 N GLU B 30 -2.418 31.392 47.139 1.00 18.86 N ATOM 1109 CA GLU B 30 -1.876 31.930 45.903 1.00 22.28 C ATOM 1110 C GLU B 30 -2.046 33.449 45.867 1.00 17.27 C ATOM 1111 O GLU B 30 -1.145 34.164 45.455 1.00 21.33 O ATOM 1112 CB GLU B 30 -2.546 31.278 44.693 1.00 23.13 C ATOM 1113 CG GLU B 30 -2.042 29.864 44.411 1.00 31.95 C ATOM 1114 CD GLU B 30 -2.673 29.240 43.178 1.00 44.39 C ATOM 1115 OE1 GLU B 30 -3.712 29.754 42.703 1.00 47.15 O ATOM 1116 OE2 GLU B 30 -2.125 28.230 42.683 1.00 52.07 O ATOM 1117 H GLU B 30 -3.258 30.780 47.107 1.00 0.00 H ATOM 1118 N LYS B 31 -3.199 33.933 46.313 1.00 15.30 N ATOM 1119 CA LYS B 31 -3.477 35.367 46.278 1.00 14.46 C ATOM 1120 C LYS B 31 -2.953 36.162 47.492 1.00 12.39 C ATOM 1121 O LYS B 31 -2.450 37.274 47.324 1.00 13.11 O ATOM 1122 CB LYS B 31 -4.968 35.616 46.071 1.00 13.25 C ATOM 1123 CG LYS B 31 -5.329 37.076 45.756 1.00 16.98 C ATOM 1124 CD LYS B 31 -6.838 37.263 45.652 1.00 23.68 C ATOM 1125 CE LYS B 31 -7.197 38.664 45.171 1.00 18.11 C ATOM 1126 NZ LYS B 31 -6.715 38.865 43.778 1.00 29.77 N ATOM 1127 HZ1 LYS B 31 -5.682 38.748 43.750 1.00 0.00 H ATOM 1128 HZ2 LYS B 31 -7.162 38.164 43.153 1.00 0.00 H ATOM 1129 HZ3 LYS B 31 -6.965 39.823 43.461 1.00 0.00 H ATOM 1130 H LYS B 31 -3.915 33.282 46.693 1.00 0.00 H ATOM 1131 N TYR B 32 -3.062 35.603 48.700 1.00 17.85 N ATOM 1132 CA TYR B 32 -2.710 36.341 49.929 1.00 12.28 C ATOM 1133 C TYR B 32 -1.599 35.705 50.765 1.00 15.55 C ATOM 1134 O TYR B 32 -1.370 34.503 50.694 1.00 17.06 O ATOM 1135 CB TYR B 32 -3.942 36.501 50.824 1.00 15.96 C ATOM 1136 CG TYR B 32 -5.125 37.175 50.174 1.00 13.04 C ATOM 1137 CD1 TYR B 32 -5.142 38.559 49.969 1.00 13.02 C ATOM 1138 CD2 TYR B 32 -6.243 36.443 49.807 1.00 14.29 C ATOM 1139 CE1 TYR B 32 -6.240 39.182 49.386 1.00 17.57 C ATOM 1140 CE2 TYR B 32 -7.341 37.052 49.220 1.00 20.67 C ATOM 1141 CZ TYR B 32 -7.338 38.422 49.015 1.00 20.92 C ATOM 1142 OH TYR B 32 -8.434 39.022 48.431 1.00 31.43 O ATOM 1143 HH TYR B 32 -8.275 39.996 48.356 1.00 0.00 H ATOM 1144 H TYR B 32 -3.403 34.624 48.777 1.00 0.00 H ATOM 1145 N ASN B 33 -0.934 36.526 51.581 1.00 12.52 N ATOM 1146 CA ASN B 33 0.135 36.071 52.458 1.00 14.67 C ATOM 1147 C ASN B 33 -0.216 36.171 53.932 1.00 11.83 C ATOM 1148 O ASN B 33 0.390 35.504 54.758 1.00 15.03 O ATOM 1149 CB ASN B 33 1.402 36.890 52.237 1.00 15.87 C ATOM 1150 CG ASN B 33 2.052 36.597 50.923 1.00 24.23 C ATOM 1151 OD1 ASN B 33 2.267 35.434 50.573 1.00 32.70 O ATOM 1152 ND2 ASN B 33 2.354 37.649 50.165 1.00 20.77 N ATOM 1153 HD22 ASN B 33 2.152 38.611 50.506 1.00 0.00 H ATOM 1154 HD21 ASN B 33 2.792 37.509 49.232 1.00 0.00 H ATOM 1155 H ASN B 33 -1.191 37.534 51.591 1.00 0.00 H ATOM 1156 N ILE B 34 -1.173 37.030 54.250 1.00 14.54 N ATOM 1157 CA ILE B 34 -1.516 37.316 55.637 1.00 17.42 C ATOM 1158 C ILE B 34 -2.640 36.383 56.054 1.00 13.39 C ATOM 1159 O ILE B 34 -3.618 36.243 55.325 1.00 10.26 O ATOM 1160 CB ILE B 34 -1.933 38.783 55.797 1.00 16.47 C ATOM 1161 CG1 ILE B 34 -0.755 39.682 55.406 1.00 15.11 C ATOM 1162 CG2 ILE B 34 -2.400 39.064 57.225 1.00 17.21 C ATOM 1163 CD1 ILE B 34 -1.082 41.144 55.356 1.00 21.91 C ATOM 1164 H ILE B 34 -1.693 37.513 53.490 1.00 0.00 H ATOM 1165 N GLU B 35 -2.496 35.746 57.219 1.00 9.79 N ATOM 1166 CA GLU B 35 -3.420 34.682 57.617 1.00 11.41 C ATOM 1167 C GLU B 35 -4.860 35.169 57.705 1.00 10.93 C ATOM 1168 O GLU B 35 -5.788 34.459 57.298 1.00 10.55 O ATOM 1169 CB GLU B 35 -2.953 34.005 58.920 1.00 12.48 C ATOM 1170 CG GLU B 35 -1.644 33.220 58.750 1.00 9.49 C ATOM 1171 CD GLU B 35 -0.865 33.051 60.044 1.00 20.63 C ATOM 1172 OE1 GLU B 35 -1.247 33.675 61.060 1.00 19.82 O ATOM 1173 OE2 GLU B 35 0.134 32.290 60.050 1.00 26.64 O ATOM 1174 H GLU B 35 -1.715 36.010 57.854 1.00 0.00 H ATOM 1175 N LYS B 36 -5.047 36.388 58.212 1.00 10.57 N ATOM 1176 CA LYS B 36 -6.380 36.972 58.301 1.00 12.02 C ATOM 1177 C LYS B 36 -7.059 37.078 56.920 1.00 11.21 C ATOM 1178 O LYS B 36 -8.257 36.829 56.776 1.00 10.93 O ATOM 1179 CB LYS B 36 -6.300 38.353 58.955 1.00 11.90 C ATOM 1180 CG LYS B 36 -7.638 39.020 59.156 1.00 20.47 C ATOM 1181 CD LYS B 36 -7.460 40.435 59.665 1.00 24.66 C ATOM 1182 CE LYS B 36 -6.516 41.224 58.767 1.00 31.03 C ATOM 1183 NZ LYS B 36 -6.039 42.484 59.420 1.00 38.06 N ATOM 1184 HZ1 LYS B 36 -6.856 43.088 59.643 1.00 0.00 H ATOM 1185 HZ2 LYS B 36 -5.531 42.248 60.297 1.00 0.00 H ATOM 1186 HZ3 LYS B 36 -5.400 42.988 58.773 1.00 0.00 H ATOM 1187 H LYS B 36 -4.227 36.932 58.550 1.00 0.00 H ATOM 1188 N ASP B 37 -6.284 37.449 55.908 1.00 14.97 N ATOM 1189 CA ASP B 37 -6.822 37.613 54.563 1.00 12.17 C ATOM 1190 C ASP B 37 -7.150 36.255 53.959 1.00 11.69 C ATOM 1191 O ASP B 37 -8.176 36.093 53.307 1.00 13.88 O ATOM 1192 CB ASP B 37 -5.823 38.354 53.679 1.00 10.76 C ATOM 1193 CG ASP B 37 -5.613 39.803 54.116 1.00 16.86 C ATOM 1194 OD1 ASP B 37 -6.567 40.415 54.625 1.00 15.35 O ATOM 1195 OD2 ASP B 37 -4.492 40.324 53.949 1.00 16.68 O ATOM 1196 H ASP B 37 -5.273 37.626 56.078 1.00 0.00 H ATOM 1197 N ILE B 38 -6.261 35.289 54.179 1.00 10.96 N ATOM 1198 CA ILE B 38 -6.480 33.919 53.726 1.00 16.47 C ATOM 1199 C ILE B 38 -7.766 33.357 54.335 1.00 13.93 C ATOM 1200 O ILE B 38 -8.605 32.791 53.632 1.00 11.59 O ATOM 1201 CB ILE B 38 -5.292 33.016 54.101 1.00 11.40 C ATOM 1202 CG1 ILE B 38 -4.021 33.479 53.385 1.00 11.20 C ATOM 1203 CG2 ILE B 38 -5.606 31.563 53.768 1.00 9.68 C ATOM 1204 CD1 ILE B 38 -2.714 33.091 54.089 1.00 16.47 C ATOM 1205 H ILE B 38 -5.384 35.517 54.689 1.00 0.00 H ATOM 1206 N ALA B 39 -7.922 33.535 55.646 1.00 12.97 N ATOM 1207 CA ALA B 39 -9.122 33.082 56.345 1.00 10.85 C ATOM 1208 C ALA B 39 -10.364 33.773 55.808 1.00 14.65 C ATOM 1209 O ALA B 39 -11.411 33.144 55.658 1.00 11.87 O ATOM 1210 CB ALA B 39 -8.995 33.323 57.830 1.00 10.60 C ATOM 1211 H ALA B 39 -7.170 34.009 56.186 1.00 0.00 H ATOM 1212 N ALA B 40 -10.243 35.070 55.530 1.00 15.69 N ATOM 1213 CA ALA B 40 -11.344 35.837 54.965 1.00 17.93 C ATOM 1214 C ALA B 40 -11.770 35.247 53.633 1.00 13.16 C ATOM 1215 O ALA B 40 -12.955 35.004 53.401 1.00 20.01 O ATOM 1216 CB ALA B 40 -10.949 37.300 54.795 1.00 14.73 C ATOM 1217 H ALA B 40 -9.339 35.547 55.721 1.00 0.00 H ATOM 1218 N TYR B 41 -10.793 35.036 52.760 1.00 15.52 N ATOM 1219 CA TYR B 41 -11.052 34.480 51.437 1.00 17.17 C ATOM 1220 C TYR B 41 -11.818 33.172 51.555 1.00 18.37 C ATOM 1221 O TYR B 41 -12.848 32.982 50.922 1.00 18.44 O ATOM 1222 CB TYR B 41 -9.738 34.245 50.689 1.00 17.85 C ATOM 1223 CG TYR B 41 -9.920 33.751 49.268 1.00 17.23 C ATOM 1224 CD1 TYR B 41 -9.992 34.649 48.200 1.00 23.35 C ATOM 1225 CD2 TYR B 41 -10.028 32.390 48.995 1.00 20.02 C ATOM 1226 CE1 TYR B 41 -10.162 34.198 46.893 1.00 20.94 C ATOM 1227 CE2 TYR B 41 -10.196 31.928 47.700 1.00 24.29 C ATOM 1228 CZ TYR B 41 -10.260 32.831 46.654 1.00 28.61 C ATOM 1229 OH TYR B 41 -10.425 32.350 45.375 1.00 26.43 O ATOM 1230 HH TYR B 41 -11.273 31.842 45.321 1.00 0.00 H ATOM 1231 H TYR B 41 -9.816 35.274 53.027 1.00 0.00 H ATOM 1232 N ILE B 42 -11.315 32.278 52.393 1.00 14.77 N ATOM 1233 CA ILE B 42 -11.947 30.974 52.555 1.00 15.21 C ATOM 1234 C ILE B 42 -13.352 31.091 53.136 1.00 16.47 C ATOM 1235 O ILE B 42 -14.287 30.464 52.626 1.00 18.82 O ATOM 1236 CB ILE B 42 -11.068 30.010 53.391 1.00 13.01 C ATOM 1237 CG1 ILE B 42 -9.711 29.841 52.714 1.00 12.65 C ATOM 1238 CG2 ILE B 42 -11.766 28.659 53.568 1.00 14.22 C ATOM 1239 CD1 ILE B 42 -8.675 29.128 53.558 1.00 17.17 C ATOM 1240 H ILE B 42 -10.461 32.508 52.941 1.00 0.00 H ATOM 1241 N LYS B 43 -13.509 31.898 54.185 1.00 16.67 N ATOM 1242 CA LYS B 43 -14.815 32.054 54.835 1.00 19.35 C ATOM 1243 C LYS B 43 -15.862 32.640 53.894 1.00 20.68 C ATOM 1244 O LYS B 43 -16.989 32.169 53.863 1.00 19.53 O ATOM 1245 CB LYS B 43 -14.706 32.917 56.099 1.00 14.78 C ATOM 1246 CG LYS B 43 -16.031 33.163 56.838 1.00 25.10 C ATOM 1247 CD LYS B 43 -16.712 34.469 56.410 1.00 18.01 C ATOM 1248 CE LYS B 43 -17.760 34.922 57.411 1.00 19.26 C ATOM 1249 NZ LYS B 43 -18.815 33.906 57.624 1.00 16.57 N ATOM 1250 HZ1 LYS B 43 -19.295 33.712 56.722 1.00 0.00 H ATOM 1251 HZ2 LYS B 43 -18.384 33.031 57.984 1.00 0.00 H ATOM 1252 HZ3 LYS B 43 -19.505 34.264 58.315 1.00 0.00 H ATOM 1253 H LYS B 43 -12.691 32.427 54.549 1.00 0.00 H ATOM 1254 N LYS B 44 -15.498 33.689 53.155 1.00 19.92 N ATOM 1255 CA LYS B 44 -16.445 34.328 52.239 1.00 19.89 C ATOM 1256 C LYS B 44 -16.879 33.369 51.123 1.00 23.47 C ATOM 1257 O LYS B 44 -18.060 33.294 50.784 1.00 31.86 O ATOM 1258 CB LYS B 44 -15.851 35.605 51.643 1.00 20.89 C ATOM 1259 CG LYS B 44 -15.602 36.715 52.652 1.00 17.63 C ATOM 1260 CD LYS B 44 -15.288 38.020 51.948 1.00 26.46 C ATOM 1261 CE LYS B 44 -14.531 38.973 52.842 1.00 30.70 C ATOM 1262 NZ LYS B 44 -13.457 39.668 52.070 1.00 26.84 N ATOM 1263 HZ1 LYS B 44 -12.795 38.963 51.687 1.00 0.00 H ATOM 1264 HZ2 LYS B 44 -13.885 40.204 51.288 1.00 0.00 H ATOM 1265 HZ3 LYS B 44 -12.946 40.320 52.699 1.00 0.00 H ATOM 1266 H LYS B 44 -14.529 34.058 53.230 1.00 0.00 H ATOM 1267 N GLU B 45 -15.921 32.635 50.565 1.00 21.13 N ATOM 1268 CA GLU B 45 -16.205 31.684 49.497 1.00 26.07 C ATOM 1269 C GLU B 45 -17.128 30.560 49.939 1.00 30.20 C ATOM 1270 O GLU B 45 -18.030 30.173 49.195 1.00 29.32 O ATOM 1271 CB GLU B 45 -14.918 31.108 48.911 1.00 28.00 C ATOM 1272 CG GLU B 45 -14.342 31.930 47.768 1.00 35.28 C ATOM 1273 CD GLU B 45 -15.385 32.295 46.717 1.00 37.24 C ATOM 1274 OE1 GLU B 45 -15.697 33.499 46.585 1.00 37.91 O ATOM 1275 OE2 GLU B 45 -15.894 31.381 46.030 1.00 43.33 O ATOM 1276 H GLU B 45 -14.942 32.742 50.900 1.00 0.00 H ATOM 1277 N PHE B 46 -16.909 30.035 51.142 1.00 15.06 N ATOM 1278 CA PHE B 46 -17.781 28.993 51.668 1.00 24.81 C ATOM 1279 C PHE B 46 -19.156 29.534 52.062 1.00 28.92 C ATOM 1280 O PHE B 46 -20.152 28.820 51.984 1.00 34.97 O ATOM 1281 CB PHE B 46 -17.112 28.251 52.833 1.00 23.85 C ATOM 1282 CG PHE B 46 -16.442 26.969 52.422 1.00 24.08 C ATOM 1283 CD1 PHE B 46 -16.937 25.746 52.844 1.00 24.77 C ATOM 1284 CD2 PHE B 46 -15.334 26.987 51.589 1.00 21.93 C ATOM 1285 CE1 PHE B 46 -16.323 24.554 52.454 1.00 23.44 C ATOM 1286 CE2 PHE B 46 -14.717 25.803 51.192 1.00 22.62 C ATOM 1287 CZ PHE B 46 -15.217 24.585 51.624 1.00 23.52 C ATOM 1288 H PHE B 46 -16.107 30.372 51.712 1.00 0.00 H ATOM 1289 N ASP B 47 -19.210 30.796 52.477 1.00 27.98 N ATOM 1290 CA ASP B 47 -20.485 31.453 52.725 1.00 30.76 C ATOM 1291 C ASP B 47 -21.234 31.620 51.400 1.00 36.40 C ATOM 1292 O ASP B 47 -22.464 31.527 51.346 1.00 34.95 O ATOM 1293 CB ASP B 47 -20.265 32.817 53.390 1.00 30.68 C ATOM 1294 CG ASP B 47 -20.305 32.744 54.910 1.00 30.49 C ATOM 1295 OD1 ASP B 47 -20.302 31.622 55.462 1.00 29.13 O ATOM 1296 OD2 ASP B 47 -20.342 33.813 55.555 1.00 25.68 O ATOM 1297 H ASP B 47 -18.326 31.323 52.627 1.00 0.00 H ATOM 1298 N LYS B 48 -20.471 31.848 50.335 1.00 32.75 N ATOM 1299 CA LYS B 48 -21.026 32.058 49.001 1.00 34.01 C ATOM 1300 C LYS B 48 -21.594 30.776 48.384 1.00 39.28 C ATOM 1301 O LYS B 48 -22.687 30.789 47.818 1.00 39.68 O ATOM 1302 CB LYS B 48 -19.955 32.648 48.074 1.00 41.20 C ATOM 1303 CG LYS B 48 -20.487 33.201 46.751 1.00 44.42 C ATOM 1304 CD LYS B 48 -20.788 34.693 46.843 1.00 46.63 C ATOM 1305 CE LYS B 48 -19.549 35.538 46.558 1.00 53.67 C ATOM 1306 NZ LYS B 48 -19.152 35.502 45.118 1.00 53.00 N ATOM 1307 HZ1 LYS B 48 -18.943 34.521 44.842 1.00 0.00 H ATOM 1308 HZ2 LYS B 48 -19.932 35.868 44.535 1.00 0.00 H ATOM 1309 HZ3 LYS B 48 -18.306 36.091 44.978 1.00 0.00 H ATOM 1310 H LYS B 48 -19.439 31.878 50.457 1.00 0.00 H ATOM 1311 N LYS B 49 -20.858 29.672 48.502 1.00 31.98 N ATOM 1312 CA LYS B 49 -21.212 28.438 47.803 1.00 32.14 C ATOM 1313 C LYS B 49 -22.056 27.460 48.609 1.00 33.82 C ATOM 1314 O LYS B 49 -22.705 26.590 48.034 1.00 37.14 O ATOM 1315 CB LYS B 49 -19.958 27.719 47.298 1.00 32.23 C ATOM 1316 CG LYS B 49 -19.421 28.261 45.991 1.00 35.94 C ATOM 1317 CD LYS B 49 -18.182 27.504 45.530 1.00 45.85 C ATOM 1318 CE LYS B 49 -17.694 28.039 44.183 1.00 53.07 C ATOM 1319 NZ LYS B 49 -16.457 27.365 43.690 1.00 48.92 N ATOM 1320 HZ1 LYS B 49 -15.690 27.504 44.378 1.00 0.00 H ATOM 1321 HZ2 LYS B 49 -16.640 26.348 43.575 1.00 0.00 H ATOM 1322 HZ3 LYS B 49 -16.182 27.775 42.775 1.00 0.00 H ATOM 1323 H LYS B 49 -20.011 29.688 49.106 1.00 0.00 H ATOM 1324 N TYR B 50 -22.046 27.587 49.933 1.00 37.27 N ATOM 1325 CA TYR B 50 -22.738 26.619 50.784 1.00 36.09 C ATOM 1326 C TYR B 50 -23.564 27.286 51.881 1.00 37.77 C ATOM 1327 O TYR B 50 -23.866 26.654 52.895 1.00 43.49 O ATOM 1328 CB TYR B 50 -21.741 25.646 51.424 1.00 32.79 C ATOM 1329 CG TYR B 50 -20.811 24.946 50.450 1.00 37.79 C ATOM 1330 CD1 TYR B 50 -21.189 23.766 49.820 1.00 42.10 C ATOM 1331 CD2 TYR B 50 -19.549 25.453 50.178 1.00 32.95 C ATOM 1332 CE1 TYR B 50 -20.342 23.120 48.937 1.00 35.06 C ATOM 1333 CE2 TYR B 50 -18.693 24.812 49.296 1.00 41.08 C ATOM 1334 CZ TYR B 50 -19.095 23.646 48.679 1.00 40.84 C ATOM 1335 OH TYR B 50 -18.248 23.004 47.804 1.00 37.08 O ATOM 1336 HH TYR B 50 -18.030 23.611 47.053 1.00 0.00 H ATOM 1337 H TYR B 50 -21.540 28.384 50.369 1.00 0.00 H ATOM 1338 N ASN B 51 -23.918 28.555 51.666 1.00 37.36 N ATOM 1339 CA ASN B 51 -24.671 29.375 52.632 1.00 40.23 C ATOM 1340 C ASN B 51 -23.931 29.697 53.933 1.00 38.10 C ATOM 1341 O ASN B 51 -23.167 28.873 54.437 1.00 38.71 O ATOM 1342 CB ASN B 51 -26.021 28.741 52.989 1.00 43.41 C ATOM 1343 CG ASN B 51 -26.773 28.236 51.781 1.00 43.59 C ATOM 1344 OD1 ASN B 51 -26.630 28.759 50.677 1.00 38.50 O ATOM 1345 ND2 ASN B 51 -27.586 27.207 51.988 1.00 30.27 N ATOM 1346 HD22 ASN B 51 -27.674 26.797 52.940 1.00 0.00 H ATOM 1347 HD21 ASN B 51 -28.134 26.811 51.198 1.00 0.00 H ATOM 1348 H ASN B 51 -23.646 28.992 50.762 1.00 0.00 H ATOM 1349 N PRO B 52 -24.177 30.898 54.488 1.00 38.21 N ATOM 1350 CA PRO B 52 -23.712 31.280 55.829 1.00 39.48 C ATOM 1351 C PRO B 52 -24.230 30.295 56.885 1.00 40.28 C ATOM 1352 O PRO B 52 -25.167 29.555 56.586 1.00 43.10 O ATOM 1353 CB PRO B 52 -24.341 32.664 56.028 1.00 36.76 C ATOM 1354 CG PRO B 52 -24.499 33.203 54.651 1.00 40.61 C ATOM 1355 CD PRO B 52 -24.847 32.017 53.799 1.00 37.14 C ATOM 1356 N THR B 53 -23.643 30.260 58.083 1.00 41.96 N ATOM 1357 CA THR B 53 -22.518 31.111 58.468 1.00 38.49 C ATOM 1358 C THR B 53 -21.267 30.279 58.746 1.00 35.99 C ATOM 1359 O THR B 53 -21.273 29.394 59.604 1.00 30.80 O ATOM 1360 CB THR B 53 -22.855 31.949 59.718 1.00 35.14 C ATOM 1361 OG1 THR B 53 -23.899 32.881 59.408 1.00 43.82 O ATOM 1362 CG2 THR B 53 -21.628 32.711 60.208 1.00 28.89 C ATOM 1363 HG1 THR B 53 -24.112 33.416 60.213 1.00 0.00 H ATOM 1364 H THR B 53 -24.008 29.586 58.786 1.00 0.00 H ATOM 1365 N TRP B 54 -20.195 30.562 58.014 1.00 30.76 N ATOM 1366 CA TRP B 54 -18.934 29.864 58.230 1.00 33.51 C ATOM 1367 C TRP B 54 -17.954 30.730 59.026 1.00 24.28 C ATOM 1368 O TRP B 54 -18.107 31.953 59.102 1.00 27.22 O ATOM 1369 CB TRP B 54 -18.314 29.453 56.895 1.00 28.49 C ATOM 1370 CG TRP B 54 -19.081 28.381 56.168 1.00 32.38 C ATOM 1371 CD1 TRP B 54 -20.166 28.553 55.354 1.00 30.76 C ATOM 1372 CD2 TRP B 54 -18.808 26.973 56.179 1.00 32.89 C ATOM 1373 NE1 TRP B 54 -20.587 27.337 54.861 1.00 32.22 N ATOM 1374 CE2 TRP B 54 -19.771 26.353 55.351 1.00 32.01 C ATOM 1375 CE3 TRP B 54 -17.846 26.176 56.811 1.00 28.32 C ATOM 1376 CZ2 TRP B 54 -19.800 24.973 55.143 1.00 37.05 C ATOM 1377 CZ3 TRP B 54 -17.876 24.802 56.601 1.00 33.37 C ATOM 1378 CH2 TRP B 54 -18.847 24.215 55.774 1.00 36.20 C ATOM 1379 HE1 TRP B 54 -21.393 27.191 54.221 1.00 0.00 H ATOM 1380 H TRP B 54 -20.257 31.292 57.276 1.00 0.00 H ATOM 1381 N HIS B 55 -16.958 30.086 59.624 1.00 21.50 N ATOM 1382 CA HIS B 55 -15.900 30.786 60.342 1.00 21.22 C ATOM 1383 C HIS B 55 -14.586 30.088 60.010 1.00 18.17 C ATOM 1384 O HIS B 55 -14.541 28.861 59.935 1.00 19.10 O ATOM 1385 CB HIS B 55 -16.142 30.737 61.852 1.00 26.50 C ATOM 1386 CG HIS B 55 -17.558 31.013 62.254 1.00 25.63 C ATOM 1387 ND1 HIS B 55 -18.012 32.277 62.571 1.00 23.05 N ATOM 1388 CD2 HIS B 55 -18.621 30.186 62.399 1.00 26.87 C ATOM 1389 CE1 HIS B 55 -19.293 32.215 62.892 1.00 26.46 C ATOM 1390 NE2 HIS B 55 -19.685 30.957 62.796 1.00 28.20 N ATOM 1391 H HIS B 55 -16.932 29.047 59.578 1.00 0.00 H ATOM 1392 N CYS B 56 -13.518 30.854 59.801 1.00 17.33 N ATOM 1393 CA CYS B 56 -12.244 30.254 59.396 1.00 13.63 C ATOM 1394 C CYS B 56 -11.049 30.744 60.209 1.00 12.26 C ATOM 1395 O CYS B 56 -10.925 31.935 60.513 1.00 15.19 O ATOM 1396 CB CYS B 56 -11.977 30.484 57.898 1.00 10.49 C ATOM 1397 SG CYS B 56 -10.568 29.558 57.223 1.00 13.80 S ATOM 1398 H CYS B 56 -13.588 31.884 59.926 1.00 0.00 H ATOM 1399 N ILE B 57 -10.156 29.822 60.541 1.00 11.53 N ATOM 1400 CA ILE B 57 -8.941 30.175 61.276 1.00 11.86 C ATOM 1401 C ILE B 57 -7.727 29.601 60.551 1.00 11.57 C ATOM 1402 O ILE B 57 -7.699 28.424 60.185 1.00 12.39 O ATOM 1403 CB ILE B 57 -8.999 29.716 62.764 1.00 8.85 C ATOM 1404 CG1 ILE B 57 -10.031 30.542 63.530 1.00 10.74 C ATOM 1405 CG2 ILE B 57 -7.659 29.897 63.453 1.00 11.58 C ATOM 1406 CD1 ILE B 57 -11.390 29.982 63.479 1.00 22.00 C ATOM 1407 H ILE B 57 -10.322 28.831 60.274 1.00 0.00 H ATOM 1408 N VAL B 58 -6.739 30.449 60.301 1.00 8.37 N ATOM 1409 CA VAL B 58 -5.572 30.035 59.548 1.00 8.83 C ATOM 1410 C VAL B 58 -4.326 30.382 60.339 1.00 7.97 C ATOM 1411 O VAL B 58 -4.161 31.529 60.763 1.00 9.74 O ATOM 1412 CB VAL B 58 -5.532 30.720 58.160 1.00 11.22 C ATOM 1413 CG1 VAL B 58 -4.268 30.323 57.398 1.00 10.63 C ATOM 1414 CG2 VAL B 58 -6.762 30.348 57.359 1.00 8.26 C ATOM 1415 H VAL B 58 -6.802 31.426 60.651 1.00 0.00 H ATOM 1416 N GLY B 59 -3.447 29.412 60.563 1.00 6.98 N ATOM 1417 CA GLY B 59 -2.271 29.705 61.374 1.00 11.55 C ATOM 1418 C GLY B 59 -1.260 28.586 61.480 1.00 16.68 C ATOM 1419 O GLY B 59 -1.521 27.456 61.081 1.00 13.45 O ATOM 1420 H GLY B 59 -3.595 28.462 60.168 1.00 0.00 H ATOM 1421 N ARG B 60 -0.098 28.914 62.028 1.00 12.94 N ATOM 1422 CA ARG B 60 0.978 27.955 62.214 1.00 16.58 C ATOM 1423 C ARG B 60 1.071 27.541 63.668 1.00 20.48 C ATOM 1424 O ARG B 60 1.674 26.520 63.996 1.00 26.34 O ATOM 1425 CB ARG B 60 2.297 28.566 61.769 1.00 20.35 C ATOM 1426 CG ARG B 60 2.300 28.965 60.300 1.00 25.67 C ATOM 1427 CD ARG B 60 3.583 29.682 59.943 1.00 40.41 C ATOM 1428 NE ARG B 60 4.743 28.881 60.313 1.00 51.82 N ATOM 1429 CZ ARG B 60 5.453 28.162 59.452 1.00 64.63 C ATOM 1430 NH1 ARG B 60 5.129 28.164 58.166 1.00 63.36 N ATOM 1431 NH2 ARG B 60 6.493 27.453 59.875 1.00 71.58 N ATOM 1432 HE ARG B 60 5.032 28.872 61.312 1.00 0.00 H ATOM 1433 HH12 ARG B 60 5.683 27.602 57.489 1.00 0.00 H ATOM 1434 HH11 ARG B 60 4.321 28.728 57.834 1.00 0.00 H ATOM 1435 HH22 ARG B 60 7.048 26.890 59.199 1.00 0.00 H ATOM 1436 HH21 ARG B 60 6.752 27.460 60.882 1.00 0.00 H ATOM 1437 H ARG B 60 0.049 29.896 62.337 1.00 0.00 H ATOM 1438 N ASN B 61 0.464 28.329 64.545 1.00 12.90 N ATOM 1439 CA ASN B 61 0.463 27.988 65.968 1.00 16.74 C ATOM 1440 C ASN B 61 -0.823 28.404 66.691 1.00 11.50 C ATOM 1441 O ASN B 61 -0.989 29.562 67.073 1.00 12.75 O ATOM 1442 CB ASN B 61 1.692 28.590 66.650 1.00 17.34 C ATOM 1443 CG ASN B 61 2.213 27.726 67.780 1.00 34.63 C ATOM 1444 OD1 ASN B 61 1.499 26.871 68.308 1.00 28.43 O ATOM 1445 ND2 ASN B 61 3.456 27.978 68.187 1.00 41.48 N ATOM 1446 HD22 ASN B 61 4.021 28.710 67.710 1.00 0.00 H ATOM 1447 HD21 ASN B 61 3.862 27.443 68.981 1.00 0.00 H ATOM 1448 H ASN B 61 -0.014 29.194 64.220 1.00 0.00 H ATOM 1449 N PHE B 62 -1.744 27.462 66.857 1.00 10.52 N ATOM 1450 CA PHE B 62 -2.953 27.719 67.623 1.00 7.27 C ATOM 1451 C PHE B 62 -3.631 26.422 68.012 1.00 13.62 C ATOM 1452 O PHE B 62 -3.407 25.388 67.397 1.00 11.89 O ATOM 1453 CB PHE B 62 -3.944 28.595 66.851 1.00 12.02 C ATOM 1454 CG PHE B 62 -4.586 27.907 65.673 1.00 10.45 C ATOM 1455 CD1 PHE B 62 -5.861 27.367 65.774 1.00 8.94 C ATOM 1456 CD2 PHE B 62 -3.917 27.801 64.471 1.00 8.47 C ATOM 1457 CE1 PHE B 62 -6.456 26.725 64.687 1.00 15.22 C ATOM 1458 CE2 PHE B 62 -4.506 27.162 63.379 1.00 10.82 C ATOM 1459 CZ PHE B 62 -5.778 26.624 63.490 1.00 7.71 C ATOM 1460 H PHE B 62 -1.598 26.524 66.432 1.00 0.00 H ATOM 1461 N GLY B 63 -4.451 26.498 69.052 1.00 11.71 N ATOM 1462 CA GLY B 63 -5.328 25.414 69.432 1.00 16.04 C ATOM 1463 C GLY B 63 -6.741 25.954 69.439 1.00 15.52 C ATOM 1464 O GLY B 63 -6.944 27.158 69.571 1.00 14.05 O ATOM 1465 H GLY B 63 -4.463 27.372 69.616 1.00 0.00 H ATOM 1466 N SER B 64 -7.728 25.082 69.301 1.00 13.82 N ATOM 1467 CA SER B 64 -9.103 25.544 69.309 1.00 13.14 C ATOM 1468 C SER B 64 -10.044 24.605 70.045 1.00 20.58 C ATOM 1469 O SER B 64 -9.726 23.440 70.293 1.00 19.70 O ATOM 1470 CB SER B 64 -9.604 25.740 67.880 1.00 15.74 C ATOM 1471 OG SER B 64 -9.494 24.531 67.158 1.00 25.53 O ATOM 1472 HG SER B 64 -9.821 24.669 66.234 1.00 0.00 H ATOM 1473 H SER B 64 -7.518 24.070 69.187 1.00 0.00 H ATOM 1474 N TYR B 65 -11.205 25.134 70.399 1.00 20.36 N ATOM 1475 CA TYR B 65 -12.291 24.319 70.918 1.00 20.31 C ATOM 1476 C TYR B 65 -13.582 25.013 70.513 1.00 18.60 C ATOM 1477 O TYR B 65 -13.986 26.015 71.105 1.00 18.87 O ATOM 1478 CB TYR B 65 -12.184 24.158 72.436 1.00 27.10 C ATOM 1479 CG TYR B 65 -13.010 23.018 72.988 1.00 27.24 C ATOM 1480 CD1 TYR B 65 -12.656 21.697 72.742 1.00 30.56 C ATOM 1481 CD2 TYR B 65 -14.138 23.263 73.755 1.00 27.85 C ATOM 1482 CE1 TYR B 65 -13.411 20.645 73.242 1.00 34.01 C ATOM 1483 CE2 TYR B 65 -14.897 22.226 74.264 1.00 33.85 C ATOM 1484 CZ TYR B 65 -14.530 20.916 74.006 1.00 41.91 C ATOM 1485 OH TYR B 65 -15.290 19.881 74.511 1.00 48.03 O ATOM 1486 HH TYR B 65 -14.893 19.017 74.236 1.00 0.00 H ATOM 1487 H TYR B 65 -11.344 26.160 70.303 1.00 0.00 H ATOM 1488 N VAL B 66 -14.215 24.495 69.467 1.00 23.54 N ATOM 1489 CA VAL B 66 -15.406 25.133 68.921 1.00 28.71 C ATOM 1490 C VAL B 66 -16.560 24.136 68.836 1.00 28.27 C ATOM 1491 O VAL B 66 -16.340 22.920 68.853 1.00 24.73 O ATOM 1492 CB VAL B 66 -15.134 25.736 67.520 1.00 22.62 C ATOM 1493 CG1 VAL B 66 -13.818 26.521 67.515 1.00 20.85 C ATOM 1494 CG2 VAL B 66 -15.088 24.652 66.474 1.00 20.57 C ATOM 1495 H VAL B 66 -13.856 23.622 69.031 1.00 0.00 H ATOM 1496 N THR B 67 -17.782 24.664 68.762 1.00 28.42 N ATOM 1497 CA THR B 67 -18.991 23.851 68.599 1.00 35.23 C ATOM 1498 C THR B 67 -19.494 23.950 67.163 1.00 34.21 C ATOM 1499 O THR B 67 -19.985 24.998 66.733 1.00 35.74 O ATOM 1500 CB THR B 67 -20.123 24.320 69.527 1.00 32.78 C ATOM 1501 OG1 THR B 67 -19.713 24.214 70.897 1.00 33.85 O ATOM 1502 CG2 THR B 67 -21.385 23.487 69.306 1.00 38.16 C ATOM 1503 HG1 THR B 67 -20.449 24.518 71.485 1.00 0.00 H ATOM 1504 H THR B 67 -17.882 25.697 68.823 1.00 0.00 H ATOM 1505 N HIS B 68 -19.379 22.856 66.421 1.00 35.76 N ATOM 1506 CA HIS B 68 -19.683 22.896 65.003 1.00 34.64 C ATOM 1507 C HIS B 68 -20.972 22.171 64.634 1.00 41.37 C ATOM 1508 O HIS B 68 -21.458 21.309 65.362 1.00 40.34 O ATOM 1509 CB HIS B 68 -18.521 22.325 64.190 1.00 32.82 C ATOM 1510 CG HIS B 68 -18.300 20.860 64.399 1.00 39.90 C ATOM 1511 ND1 HIS B 68 -17.278 20.364 65.180 1.00 40.79 N ATOM 1512 CD2 HIS B 68 -18.964 19.782 63.918 1.00 37.88 C ATOM 1513 CE1 HIS B 68 -17.323 19.044 65.173 1.00 40.18 C ATOM 1514 NE2 HIS B 68 -18.337 18.665 64.416 1.00 45.32 N ATOM 1515 H HIS B 68 -19.069 21.965 66.858 1.00 0.00 H ATOM 1516 N GLU B 69 -21.508 22.548 63.481 1.00 41.44 N ATOM 1517 CA GLU B 69 -22.658 21.902 62.882 1.00 39.46 C ATOM 1518 C GLU B 69 -22.238 20.535 62.355 1.00 40.77 C ATOM 1519 O GLU B 69 -21.115 20.362 61.873 1.00 35.44 O ATOM 1520 CB GLU B 69 -23.145 22.778 61.733 1.00 41.72 C ATOM 1521 CG GLU B 69 -24.531 22.480 61.203 1.00 51.82 C ATOM 1522 CD GLU B 69 -24.973 23.521 60.187 1.00 53.53 C ATOM 1523 OE1 GLU B 69 -25.116 23.170 58.996 1.00 57.61 O ATOM 1524 OE2 GLU B 69 -25.163 24.693 60.581 1.00 56.86 O ATOM 1525 H GLU B 69 -21.079 23.352 62.979 1.00 0.00 H ATOM 1526 N THR B 70 -23.134 19.560 62.456 1.00 45.15 N ATOM 1527 CA THR B 70 -22.891 18.247 61.873 1.00 46.12 C ATOM 1528 C THR B 70 -22.599 18.377 60.377 1.00 37.64 C ATOM 1529 O THR B 70 -23.239 19.171 59.681 1.00 35.33 O ATOM 1530 CB THR B 70 -24.091 17.294 62.107 1.00 47.72 C ATOM 1531 OG1 THR B 70 -23.966 16.141 61.265 1.00 43.12 O ATOM 1532 CG2 THR B 70 -25.406 17.997 61.802 1.00 45.28 C ATOM 1533 HG1 THR B 70 -24.735 15.537 61.419 1.00 0.00 H ATOM 1534 H THR B 70 -24.026 19.737 62.961 1.00 0.00 H ATOM 1535 N ARG B 71 -21.604 17.622 59.907 1.00 37.12 N ATOM 1536 CA ARG B 71 -21.193 17.600 58.496 1.00 39.02 C ATOM 1537 C ARG B 71 -20.586 18.910 57.977 1.00 40.63 C ATOM 1538 O ARG B 71 -20.325 19.046 56.781 1.00 37.71 O ATOM 1539 CB ARG B 71 -22.343 17.150 57.588 1.00 41.73 C ATOM 1540 CG ARG B 71 -22.964 15.820 57.998 1.00 47.04 C ATOM 1541 CD ARG B 71 -21.950 14.684 57.941 1.00 43.02 C ATOM 1542 NE ARG B 71 -21.598 14.337 56.566 1.00 49.70 N ATOM 1543 CZ ARG B 71 -20.722 13.394 56.233 1.00 48.41 C ATOM 1544 NH1 ARG B 71 -20.099 12.697 57.176 1.00 55.03 N ATOM 1545 NH2 ARG B 71 -20.468 13.149 54.955 1.00 43.24 N ATOM 1546 HE ARG B 71 -22.063 14.862 55.798 1.00 0.00 H ATOM 1547 HH12 ARG B 71 -19.414 11.960 56.911 1.00 0.00 H ATOM 1548 HH11 ARG B 71 -20.296 12.888 58.179 1.00 0.00 H ATOM 1549 HH22 ARG B 71 -19.783 12.412 54.693 1.00 0.00 H ATOM 1550 HH21 ARG B 71 -20.954 13.694 54.214 1.00 0.00 H ATOM 1551 H ARG B 71 -21.090 17.015 60.577 1.00 0.00 H ATOM 1552 N HIS B 72 -20.342 19.862 58.874 1.00 40.64 N ATOM 1553 CA HIS B 72 -19.782 21.152 58.472 1.00 32.98 C ATOM 1554 C HIS B 72 -18.577 21.573 59.313 1.00 25.80 C ATOM 1555 O HIS B 72 -18.532 22.689 59.832 1.00 28.02 O ATOM 1556 CB HIS B 72 -20.864 22.228 58.509 1.00 35.77 C ATOM 1557 CG HIS B 72 -21.945 22.026 57.493 1.00 44.12 C ATOM 1558 ND1 HIS B 72 -22.862 21.002 57.577 1.00 42.83 N ATOM 1559 CD2 HIS B 72 -22.247 22.709 56.362 1.00 47.80 C ATOM 1560 CE1 HIS B 72 -23.689 21.067 56.547 1.00 50.14 C ATOM 1561 NE2 HIS B 72 -23.337 22.095 55.795 1.00 48.06 N ATOM 1562 H HIS B 72 -20.553 19.686 59.877 1.00 0.00 H ATOM 1563 N PHE B 73 -17.607 20.669 59.426 1.00 25.48 N ATOM 1564 CA PHE B 73 -16.383 20.910 60.176 1.00 26.13 C ATOM 1565 C PHE B 73 -15.186 20.280 59.477 1.00 21.27 C ATOM 1566 O PHE B 73 -15.210 19.105 59.119 1.00 23.71 O ATOM 1567 CB PHE B 73 -16.495 20.328 61.588 1.00 29.68 C ATOM 1568 CG PHE B 73 -15.192 20.326 62.353 1.00 26.32 C ATOM 1569 CD1 PHE B 73 -14.829 21.413 63.132 1.00 27.45 C ATOM 1570 CD2 PHE B 73 -14.335 19.234 62.298 1.00 28.33 C ATOM 1571 CE1 PHE B 73 -13.637 21.412 63.831 1.00 25.13 C ATOM 1572 CE2 PHE B 73 -13.142 19.234 62.994 1.00 30.12 C ATOM 1573 CZ PHE B 73 -12.793 20.327 63.758 1.00 25.03 C ATOM 1574 H PHE B 73 -17.729 19.749 58.957 1.00 0.00 H ATOM 1575 N ILE B 74 -14.122 21.056 59.314 1.00 19.07 N ATOM 1576 CA ILE B 74 -12.867 20.502 58.830 1.00 17.51 C ATOM 1577 C ILE B 74 -11.663 21.210 59.454 1.00 21.24 C ATOM 1578 O ILE B 74 -11.716 22.398 59.774 1.00 16.34 O ATOM 1579 CB ILE B 74 -12.778 20.534 57.287 1.00 19.30 C ATOM 1580 CG1 ILE B 74 -11.608 19.674 56.798 1.00 14.54 C ATOM 1581 CG2 ILE B 74 -12.680 21.973 56.772 1.00 16.38 C ATOM 1582 CD1 ILE B 74 -11.405 19.707 55.303 1.00 22.68 C ATOM 1583 H ILE B 74 -14.186 22.070 59.534 1.00 0.00 H ATOM 1584 N TYR B 75 -10.588 20.454 59.630 1.00 17.18 N ATOM 1585 CA TYR B 75 -9.337 20.959 60.164 1.00 19.44 C ATOM 1586 C TYR B 75 -8.214 20.286 59.386 1.00 18.23 C ATOM 1587 O TYR B 75 -8.094 19.056 59.401 1.00 23.10 O ATOM 1588 CB TYR B 75 -9.235 20.644 61.664 1.00 18.21 C ATOM 1589 CG TYR B 75 -7.904 21.017 62.274 1.00 20.63 C ATOM 1590 CD1 TYR B 75 -7.488 22.343 62.320 1.00 20.38 C ATOM 1591 CD2 TYR B 75 -7.062 20.047 62.802 1.00 21.88 C ATOM 1592 CE1 TYR B 75 -6.265 22.691 62.873 1.00 18.76 C ATOM 1593 CE2 TYR B 75 -5.838 20.383 63.357 1.00 23.13 C ATOM 1594 CZ TYR B 75 -5.447 21.708 63.385 1.00 24.98 C ATOM 1595 OH TYR B 75 -4.239 22.052 63.930 1.00 24.42 O ATOM 1596 HH TYR B 75 -4.118 23.033 63.869 1.00 0.00 H ATOM 1597 H TYR B 75 -10.644 19.448 59.372 1.00 0.00 H ATOM 1598 N PHE B 76 -7.390 21.073 58.700 1.00 13.08 N ATOM 1599 CA PHE B 76 -6.346 20.486 57.864 1.00 12.45 C ATOM 1600 C PHE B 76 -5.098 21.334 57.685 1.00 16.52 C ATOM 1601 O PHE B 76 -5.098 22.535 57.934 1.00 16.50 O ATOM 1602 CB PHE B 76 -6.922 20.126 56.490 1.00 19.81 C ATOM 1603 CG PHE B 76 -7.371 21.322 55.676 1.00 13.01 C ATOM 1604 CD1 PHE B 76 -6.587 21.809 54.651 1.00 11.97 C ATOM 1605 CD2 PHE B 76 -8.586 21.939 55.934 1.00 12.57 C ATOM 1606 CE1 PHE B 76 -7.006 22.888 53.883 1.00 14.75 C ATOM 1607 CE2 PHE B 76 -9.008 23.020 55.182 1.00 12.71 C ATOM 1608 CZ PHE B 76 -8.214 23.496 54.156 1.00 13.49 C ATOM 1609 H PHE B 76 -7.489 22.107 58.759 1.00 0.00 H ATOM 1610 N TYR B 77 -4.020 20.701 57.252 1.00 14.91 N ATOM 1611 CA TYR B 77 -2.824 21.445 56.930 1.00 15.33 C ATOM 1612 C TYR B 77 -2.764 21.584 55.422 1.00 22.90 C ATOM 1613 O TYR B 77 -3.270 20.728 54.691 1.00 22.09 O ATOM 1614 CB TYR B 77 -1.560 20.738 57.425 1.00 17.34 C ATOM 1615 CG TYR B 77 -1.385 20.697 58.932 1.00 26.78 C ATOM 1616 CD1 TYR B 77 -0.187 20.267 59.493 1.00 37.01 C ATOM 1617 CD2 TYR B 77 -2.412 21.070 59.792 1.00 28.38 C ATOM 1618 CE1 TYR B 77 -0.016 20.213 60.868 1.00 44.69 C ATOM 1619 CE2 TYR B 77 -2.251 21.020 61.169 1.00 27.21 C ATOM 1620 CZ TYR B 77 -1.053 20.591 61.701 1.00 40.55 C ATOM 1621 OH TYR B 77 -0.886 20.537 63.069 1.00 43.22 O ATOM 1622 HH TYR B 77 0.025 20.210 63.276 1.00 0.00 H ATOM 1623 H TYR B 77 -4.033 19.667 57.143 1.00 0.00 H ATOM 1624 N LEU B 78 -2.157 22.668 54.961 1.00 18.02 N ATOM 1625 CA LEU B 78 -1.904 22.868 53.543 1.00 20.11 C ATOM 1626 C LEU B 78 -0.560 23.540 53.501 1.00 23.94 C ATOM 1627 O LEU B 78 -0.441 24.705 53.872 1.00 27.47 O ATOM 1628 CB LEU B 78 -2.959 23.781 52.917 1.00 17.93 C ATOM 1629 CG LEU B 78 -3.572 23.371 51.577 1.00 33.49 C ATOM 1630 CD1 LEU B 78 -4.293 24.557 50.946 1.00 25.42 C ATOM 1631 CD2 LEU B 78 -2.535 22.788 50.615 1.00 22.41 C ATOM 1632 H LEU B 78 -1.852 23.399 55.635 1.00 0.00 H ATOM 1633 N GLY B 79 0.460 22.812 53.068 1.00 27.33 N ATOM 1634 CA GLY B 79 1.814 23.311 53.186 1.00 32.61 C ATOM 1635 C GLY B 79 2.084 23.478 54.668 1.00 37.04 C ATOM 1636 O GLY B 79 1.636 22.660 55.478 1.00 32.33 O ATOM 1637 H GLY B 79 0.287 21.879 52.642 1.00 0.00 H ATOM 1638 N GLN B 80 2.774 24.552 55.036 1.00 43.93 N ATOM 1639 CA GLN B 80 3.098 24.778 56.442 1.00 47.95 C ATOM 1640 C GLN B 80 2.133 25.745 57.136 1.00 42.56 C ATOM 1641 O GLN B 80 2.558 26.658 57.841 1.00 40.76 O ATOM 1642 CB GLN B 80 4.548 25.252 56.597 1.00 56.10 C ATOM 1643 CG GLN B 80 5.584 24.340 55.938 1.00 50.84 C ATOM 1644 CD GLN B 80 5.543 22.907 56.456 1.00 57.26 C ATOM 1645 OE1 GLN B 80 5.695 21.958 55.686 1.00 57.58 O ATOM 1646 NE2 GLN B 80 5.350 22.746 57.762 1.00 50.06 N ATOM 1647 HE22 GLN B 80 5.226 23.576 58.376 1.00 0.00 H ATOM 1648 HE21 GLN B 80 5.323 21.790 58.170 1.00 0.00 H ATOM 1649 H GLN B 80 3.086 25.237 54.318 1.00 0.00 H ATOM 1650 N VAL B 81 0.835 25.533 56.939 1.00 27.85 N ATOM 1651 CA VAL B 81 -0.181 26.318 57.627 1.00 23.26 C ATOM 1652 C VAL B 81 -1.366 25.409 57.974 1.00 20.65 C ATOM 1653 O VAL B 81 -1.717 24.520 57.201 1.00 20.79 O ATOM 1654 CB VAL B 81 -0.613 27.576 56.787 1.00 25.30 C ATOM 1655 CG1 VAL B 81 -1.726 27.253 55.803 1.00 19.30 C ATOM 1656 CG2 VAL B 81 -1.043 28.704 57.689 1.00 24.85 C ATOM 1657 H VAL B 81 0.538 24.788 56.277 1.00 0.00 H ATOM 1658 N ALA B 82 -1.946 25.604 59.156 1.00 11.31 N ATOM 1659 CA ALA B 82 -3.120 24.848 59.583 1.00 16.28 C ATOM 1660 C ALA B 82 -4.385 25.663 59.364 1.00 15.03 C ATOM 1661 O ALA B 82 -4.389 26.877 59.536 1.00 13.76 O ATOM 1662 CB ALA B 82 -2.999 24.450 61.052 1.00 15.53 C ATOM 1663 H ALA B 82 -1.549 26.320 59.798 1.00 0.00 H ATOM 1664 N ILE B 83 -5.466 24.987 59.001 1.00 12.92 N ATOM 1665 CA ILE B 83 -6.702 25.659 58.655 1.00 10.82 C ATOM 1666 C ILE B 83 -7.909 25.020 59.333 1.00 12.44 C ATOM 1667 O ILE B 83 -8.164 23.826 59.178 1.00 18.47 O ATOM 1668 CB ILE B 83 -6.889 25.691 57.126 1.00 11.74 C ATOM 1669 CG1 ILE B 83 -5.774 26.523 56.490 1.00 12.56 C ATOM 1670 CG2 ILE B 83 -8.257 26.243 56.756 1.00 11.54 C ATOM 1671 CD1 ILE B 83 -5.778 26.517 54.995 1.00 14.64 C ATOM 1672 H ILE B 83 -5.426 23.948 58.964 1.00 0.00 H ATOM 1673 N LEU B 84 -8.640 25.830 60.090 1.00 12.51 N ATOM 1674 CA LEU B 84 -9.885 25.417 60.710 1.00 15.89 C ATOM 1675 C LEU B 84 -11.046 26.146 60.047 1.00 16.51 C ATOM 1676 O LEU B 84 -11.053 27.376 59.968 1.00 17.42 O ATOM 1677 CB LEU B 84 -9.870 25.734 62.204 1.00 12.74 C ATOM 1678 CG LEU B 84 -11.195 25.628 62.957 1.00 12.31 C ATOM 1679 CD1 LEU B 84 -11.743 24.211 62.907 1.00 18.45 C ATOM 1680 CD2 LEU B 84 -11.028 26.077 64.406 1.00 16.87 C ATOM 1681 H LEU B 84 -8.306 26.802 60.245 1.00 0.00 H ATOM 1682 N LEU B 85 -12.035 25.384 59.591 1.00 17.41 N ATOM 1683 CA LEU B 85 -13.188 25.940 58.881 1.00 18.99 C ATOM 1684 C LEU B 85 -14.458 25.221 59.321 1.00 21.90 C ATOM 1685 O LEU B 85 -14.519 23.998 59.270 1.00 20.90 O ATOM 1686 CB LEU B 85 -12.994 25.782 57.371 1.00 20.83 C ATOM 1687 CG LEU B 85 -14.136 26.240 56.460 1.00 21.31 C ATOM 1688 CD1 LEU B 85 -14.260 27.747 56.460 1.00 15.35 C ATOM 1689 CD2 LEU B 85 -13.937 25.718 55.042 1.00 22.21 C ATOM 1690 H LEU B 85 -11.988 24.356 59.744 1.00 0.00 H ATOM 1691 N PHE B 86 -15.471 25.967 59.754 1.00 25.12 N ATOM 1692 CA PHE B 86 -16.662 25.322 60.292 1.00 23.00 C ATOM 1693 C PHE B 86 -17.898 26.220 60.365 1.00 26.51 C ATOM 1694 O PHE B 86 -17.792 27.446 60.428 1.00 28.06 O ATOM 1695 CB PHE B 86 -16.361 24.765 61.695 1.00 28.98 C ATOM 1696 CG PHE B 86 -16.241 25.827 62.758 1.00 24.98 C ATOM 1697 CD1 PHE B 86 -17.301 26.100 63.610 1.00 26.87 C ATOM 1698 CD2 PHE B 86 -15.071 26.555 62.903 1.00 21.50 C ATOM 1699 CE1 PHE B 86 -17.195 27.083 64.590 1.00 27.56 C ATOM 1700 CE2 PHE B 86 -14.964 27.534 63.879 1.00 16.24 C ATOM 1701 CZ PHE B 86 -16.028 27.799 64.718 1.00 19.80 C ATOM 1702 H PHE B 86 -15.413 27.004 59.709 1.00 0.00 H ATOM 1703 N LYS B 87 -19.072 25.589 60.374 1.00 27.01 N ATOM 1704 CA LYS B 87 -20.317 26.281 60.689 1.00 32.38 C ATOM 1705 C LYS B 87 -20.696 26.003 62.134 1.00 32.89 C ATOM 1706 O LYS B 87 -20.496 24.895 62.630 1.00 33.38 O ATOM 1707 CB LYS B 87 -21.452 25.833 59.765 1.00 37.89 C ATOM 1708 CG LYS B 87 -21.364 26.393 58.368 1.00 35.92 C ATOM 1709 CD LYS B 87 -22.511 25.906 57.492 1.00 44.00 C ATOM 1710 CE LYS B 87 -23.839 26.538 57.881 1.00 51.21 C ATOM 1711 NZ LYS B 87 -24.923 26.162 56.929 1.00 47.87 N ATOM 1712 HZ1 LYS B 87 -24.671 26.486 55.973 1.00 0.00 H ATOM 1713 HZ2 LYS B 87 -25.038 25.128 56.927 1.00 0.00 H ATOM 1714 HZ3 LYS B 87 -25.814 26.610 57.225 1.00 0.00 H ATOM 1715 H LYS B 87 -19.101 24.574 60.150 1.00 0.00 H ATOM 1716 N SER B 88 -21.247 27.006 62.808 1.00 29.52 N ATOM 1717 CA SER B 88 -21.599 26.860 64.216 1.00 34.71 C ATOM 1718 C SER B 88 -22.750 25.872 64.417 1.00 37.70 C ATOM 1719 O SER B 88 -22.850 25.219 65.463 1.00 41.21 O ATOM 1720 CB SER B 88 -21.961 28.215 64.809 1.00 30.65 C ATOM 1721 OG SER B 88 -21.956 28.162 66.221 1.00 35.67 O ATOM 1722 HG SER B 88 -21.054 27.905 66.537 1.00 0.00 H ATOM 1723 H SER B 88 -21.430 27.909 62.325 1.00 0.00 H TER 1724 SER B 88 HETATM 1725 O HOH 1 -3.622 37.430 84.610 1.00 17.89 O HETATM 1726 O HOH 2 0.718 29.115 69.605 1.00 25.71 O HETATM 1727 O HOH 3 -5.449 36.537 65.353 1.00 14.21 O HETATM 1728 O HOH 4 0.191 27.809 80.597 1.00 19.74 O HETATM 1729 O HOH 5 -3.078 21.398 78.611 1.00 22.35 O HETATM 1730 O HOH 6 1.249 31.506 81.313 1.00 34.42 O HETATM 1731 O HOH 7 -19.976 24.562 79.597 1.00 30.41 O HETATM 1732 O HOH 8 -0.327 32.734 83.621 1.00 32.06 O HETATM 1733 O HOH 9 -13.990 38.444 86.844 1.00 35.01 O HETATM 1734 O HOH 10 0.247 40.905 76.340 1.00 21.30 O HETATM 1735 O HOH 11 -21.072 41.808 76.675 1.00 32.61 O HETATM 1736 O HOH 12 0.460 30.905 84.177 1.00 34.04 O HETATM 1737 O HOH 13 -1.470 35.929 85.205 1.00 19.99 O HETATM 1738 O HOH 14 -17.139 46.588 73.038 1.00 33.50 O HETATM 1739 O HOH 15 -8.291 34.487 87.347 1.00 28.83 O HETATM 1740 O HOH 16 -16.890 23.896 82.538 1.00 37.24 O HETATM 1741 O HOH 17 -2.527 47.151 71.388 1.00 30.78 O HETATM 1742 O HOH 18 -2.391 38.728 45.088 1.00 10.34 O HETATM 1743 O HOH 19 0.585 32.646 50.726 1.00 23.83 O HETATM 1744 O HOH 20 -21.703 13.980 53.263 1.00 33.42 O HETATM 1745 O HOH 21 1.681 36.483 56.804 1.00 28.34 O HETATM 1746 O HOH 22 -5.802 32.532 43.719 1.00 31.15 O HETATM 1747 O HOH 23 -9.454 38.151 51.804 1.00 24.83 O HETATM 1748 O HOH 24 -5.160 23.904 65.757 1.00 16.04 O HETATM 1749 O HOH 25 0.819 20.066 55.318 1.00 24.07 O HETATM 1750 O HOH 26 3.792 27.505 54.445 1.00 53.15 O HETATM 1751 O HOH 27 -11.408 38.662 50.966 1.00 31.38 O HETATM 1752 O HOH 28 -6.333 30.397 42.356 1.00 31.80 O HETATM 1753 O HOH 29 -5.981 28.100 42.651 1.00 34.19 O HETATM 1754 O HOH 30 -3.126 20.180 48.390 1.00 25.39 O HETATM 1755 O HOH 31 -13.492 34.696 48.724 1.00 24.69 O HETATM 1756 O HOH 32 -17.753 12.812 47.245 1.00 32.61 O HETATM 1757 O HOH 33 -9.742 40.617 53.575 1.00 33.93 O HETATM 1758 O HOH 34 -0.068 36.061 58.629 1.00 22.26 O HETATM 1759 O HOH 35 -13.472 29.526 45.996 1.00 41.05 O HETATM 1760 O HOH 36 -22.358 14.825 50.613 1.00 39.96 O HETATM 1761 N TYR A 37 -28.541 40.028 65.588 1.00 0.24 N HETATM 1762 CA TYR A 37 -27.600 41.042 65.115 1.00 0.06 C HETATM 1763 C TYR A 37 -26.162 40.528 65.154 1.00 0.23 C HETATM 1764 O TYR A 37 -25.549 40.457 66.220 1.00 -0.39 O HETATM 1765 N TYR A 37 -25.630 40.179 63.984 1.00 -0.26 N HETATM 1766 CA TYR A 37 -24.291 39.605 63.881 1.00 0.15 C HETATM 1767 C TYR A 37 -23.318 40.539 63.168 1.00 0.21 C HETATM 1768 O TYR A 37 -23.704 41.285 62.266 1.00 -0.39 O HETATM 1769 N TYR A 37 -22.054 40.484 63.578 1.00 -0.26 N HETATM 1770 CA TYR A 37 -21.004 41.275 62.945 1.00 0.15 C HETATM 1771 C TYR A 37 -19.821 40.397 62.529 1.00 0.21 C HETATM 1772 O TYR A 37 -19.585 39.332 63.103 1.00 -0.39 O HETATM 1773 N TYR A 37 -19.080 40.856 61.527 1.00 -0.26 N HETATM 1774 CA TYR A 37 -17.979 40.082 60.958 1.00 0.16 C HETATM 1775 C TYR A 37 -16.632 40.802 61.089 1.00 0.21 C HETATM 1776 O TYR A 37 -16.483 41.936 60.638 1.00 -0.39 O HETATM 1777 N TYR A 37 -15.649 40.140 61.696 1.00 -0.26 N HETATM 1778 CA TYR A 37 -14.352 40.771 61.935 1.00 0.16 C HETATM 1779 C TYR A 37 -13.166 39.794 61.864 1.00 0.21 C HETATM 1780 O TYR A 37 -13.277 38.605 62.209 1.00 -0.39 O HETATM 1781 N TYR A 37 -12.031 40.311 61.406 1.00 -0.27 N HETATM 1782 CA TYR A 37 -10.823 39.517 61.285 1.00 0.12 C HETATM 1783 C TYR A 37 -9.801 39.864 62.353 1.00 0.20 C HETATM 1784 O TYR A 37 -9.763 40.994 62.838 1.00 -0.39 O HETATM 1785 N TYR A 37 -8.979 38.889 62.727 1.00 -0.26 N HETATM 1786 CA TYR A 37 -7.914 39.118 63.699 1.00 0.16 C HETATM 1787 C TYR A 37 -6.621 38.572 63.130 1.00 0.21 C HETATM 1788 O TYR A 37 -6.644 37.642 62.334 1.00 -0.39 O HETATM 1789 N TYR A 37 -5.498 39.157 63.523 1.00 -0.26 N HETATM 1790 CA TYR A 37 -4.195 38.664 63.095 1.00 0.13 C HETATM 1791 C TYR A 37 -3.197 38.798 64.232 1.00 0.20 C HETATM 1792 O TYR A 37 -3.136 39.839 64.871 1.00 -0.39 O HETATM 1793 N TYR A 37 -2.432 37.739 64.502 1.00 -0.26 N HETATM 1794 CA TYR A 37 -1.362 37.820 65.498 1.00 0.14 C HETATM 1795 C TYR A 37 -0.118 37.080 65.034 1.00 0.20 C HETATM 1796 O TYR A 37 -0.205 36.121 64.268 1.00 -0.39 O HETATM 1797 N TYR A 37 1.037 37.549 65.493 1.00 -0.26 N HETATM 1798 CA TYR A 37 2.301 36.873 65.251 1.00 0.14 C HETATM 1799 C TYR A 37 3.277 37.296 66.338 1.00 0.21 C HETATM 1800 O TYR A 37 4.220 38.065 66.115 1.00 -0.39 O HETATM 1801 N TYR A 37 3.020 36.788 67.533 1.00 -0.26 N HETATM 1802 CA TYR A 37 3.781 37.164 68.699 1.00 0.13 C HETATM 1803 C TYR A 37 3.650 36.037 69.718 1.00 0.20 C HETATM 1804 O TYR A 37 2.587 35.825 70.316 1.00 -0.39 O HETATM 1805 N TYR A 37 4.728 35.272 69.857 1.00 -0.30 N HETATM 1806 H TYR A 37 4.721 34.511 70.506 1.00 0.18 H HETATM 1807 H TYR A 37 5.546 35.457 69.312 1.00 0.18 H HETATM 1808 CB TYR A 37 3.341 38.574 69.239 1.00 -0.00 C HETATM 1809 CG1 TYR A 37 4.346 39.120 70.269 1.00 -0.05 C HETATM 1810 CD1 TYR A 37 5.612 39.709 69.639 1.00 -0.06 C HETATM 1811 H TYR A 37 6.279 40.077 70.432 1.00 0.02 H HETATM 1812 H TYR A 37 5.338 40.542 68.975 1.00 0.02 H HETATM 1813 H TYR A 37 6.128 38.931 69.058 1.00 0.02 H HETATM 1814 H TYR A 37 4.641 38.297 70.937 1.00 0.03 H HETATM 1815 H TYR A 37 3.850 39.908 70.855 1.00 0.03 H HETATM 1816 CG2 TYR A 37 1.864 38.592 69.712 1.00 -0.06 C HETATM 1817 H TYR A 37 1.220 38.187 68.918 1.00 0.02 H HETATM 1818 H TYR A 37 1.563 39.626 69.936 1.00 0.02 H HETATM 1819 H TYR A 37 1.761 37.976 70.618 1.00 0.02 H HETATM 1820 H TYR A 37 3.387 39.261 68.381 1.00 0.03 H HETATM 1821 H TYR A 37 4.841 37.241 68.414 1.00 0.08 H HETATM 1822 H TYR A 37 2.278 36.125 67.630 1.00 0.19 H HETATM 1823 CB TYR A 37 2.854 37.189 63.861 1.00 0.04 C HETATM 1824 CG TYR A 37 4.006 36.281 63.479 1.00 0.04 C HETATM 1825 OD1 TYR A 37 4.233 35.268 64.188 1.00 -0.57 O HETATM 1826 OD2 TYR A 37 4.684 36.580 62.473 1.00 -0.57 O HETATM 1827 H TYR A 37 3.206 38.231 63.849 1.00 0.05 H HETATM 1828 H TYR A 37 2.047 37.066 63.123 1.00 0.05 H HETATM 1829 H TYR A 37 2.141 35.787 65.318 1.00 0.08 H HETATM 1830 H TYR A 37 1.037 38.397 66.023 1.00 0.19 H HETATM 1831 CB TYR A 37 -1.808 37.304 66.878 1.00 0.03 C HETATM 1832 SG TYR A 37 -2.045 35.509 67.045 1.00 -0.17 S HETATM 1833 H TYR A 37 -1.178 35.037 66.844 1.00 0.10 H HETATM 1834 H TYR A 37 -2.764 37.790 67.122 1.00 0.04 H HETATM 1835 H TYR A 37 -1.045 37.608 67.610 1.00 0.04 H HETATM 1836 H TYR A 37 -1.098 38.882 65.611 1.00 0.08 H HETATM 1837 H TYR A 37 -2.591 36.879 64.018 1.00 0.19 H HETATM 1838 CB TYR A 37 -3.700 39.449 61.874 1.00 0.00 C HETATM 1839 CG TYR A 37 -2.309 39.036 61.391 1.00 0.04 C HETATM 1840 CD TYR A 37 -2.294 37.630 60.814 1.00 0.17 C HETATM 1841 OE1 TYR A 37 -3.193 37.250 60.070 1.00 -0.40 O HETATM 1842 NE2 TYR A 37 -1.280 36.851 61.167 1.00 -0.30 N HETATM 1843 H TYR A 37 -1.222 35.916 60.816 1.00 0.18 H HETATM 1844 H TYR A 37 -0.574 37.198 61.784 1.00 0.18 H HETATM 1845 H TYR A 37 -1.612 39.077 62.241 1.00 0.05 H HETATM 1846 H TYR A 37 -1.980 39.741 60.613 1.00 0.05 H HETATM 1847 H TYR A 37 -3.672 40.517 62.137 1.00 0.03 H HETATM 1848 H TYR A 37 -4.412 39.293 61.050 1.00 0.03 H HETATM 1849 H TYR A 37 -4.288 37.602 62.822 1.00 0.08 H HETATM 1850 H TYR A 37 -5.546 39.953 64.126 1.00 0.19 H HETATM 1851 CB TYR A 37 -8.197 38.424 65.064 1.00 0.09 C HETATM 1852 OG1 TYR A 37 -8.198 36.999 64.902 1.00 -0.39 O HETATM 1853 H TYR A 37 -8.873 36.752 64.281 1.00 0.21 H HETATM 1854 CG2 TYR A 37 -9.538 38.880 65.646 1.00 -0.03 C HETATM 1855 H TYR A 37 -9.711 38.375 66.608 1.00 0.03 H HETATM 1856 H TYR A 37 -10.347 38.624 64.947 1.00 0.03 H HETATM 1857 H TYR A 37 -9.519 39.969 65.802 1.00 0.03 H HETATM 1858 H TYR A 37 -7.398 38.700 65.768 1.00 0.06 H HETATM 1859 H TYR A 37 -7.814 40.200 63.867 1.00 0.08 H HETATM 1860 H TYR A 37 -9.093 37.977 62.333 1.00 0.19 H HETATM 1861 H TYR A 37 -10.377 39.698 60.296 1.00 0.08 H HETATM 1862 H TYR A 37 -11.087 38.453 61.379 1.00 0.08 H HETATM 1863 H TYR A 37 -12.009 41.274 61.137 1.00 0.19 H HETATM 1864 CB TYR A 37 -14.332 41.537 63.288 1.00 0.09 C HETATM 1865 OG1 TYR A 37 -13.071 42.198 63.456 1.00 -0.39 O HETATM 1866 H TYR A 37 -13.066 42.663 64.284 1.00 0.21 H HETATM 1867 CG2 TYR A 37 -14.549 40.584 64.442 1.00 -0.03 C HETATM 1868 H TYR A 37 -14.531 41.144 65.388 1.00 0.03 H HETATM 1869 H TYR A 37 -13.750 39.828 64.449 1.00 0.03 H HETATM 1870 H TYR A 37 -15.524 40.087 64.329 1.00 0.03 H HETATM 1871 H TYR A 37 -15.136 42.287 63.285 1.00 0.06 H HETATM 1872 H TYR A 37 -14.207 41.511 61.134 1.00 0.08 H HETATM 1873 H TYR A 37 -15.800 39.197 61.993 1.00 0.19 H HETATM 1874 CB TYR A 37 -18.256 39.770 59.478 1.00 0.09 C HETATM 1875 OG1 TYR A 37 -19.172 38.672 59.381 1.00 -0.39 O HETATM 1876 H TYR A 37 -18.794 37.908 59.800 1.00 0.21 H HETATM 1877 CG2 TYR A 37 -16.980 39.408 58.773 1.00 -0.03 C HETATM 1878 H TYR A 37 -17.194 39.188 57.717 1.00 0.03 H HETATM 1879 H TYR A 37 -16.537 38.521 59.250 1.00 0.03 H HETATM 1880 H TYR A 37 -16.275 40.250 58.836 1.00 0.03 H HETATM 1881 H TYR A 37 -18.696 40.657 58.999 1.00 0.06 H HETATM 1882 H TYR A 37 -17.913 39.132 61.508 1.00 0.08 H HETATM 1883 H TYR A 37 -19.282 41.760 61.150 1.00 0.19 H HETATM 1884 CB TYR A 37 -20.537 42.396 63.876 1.00 0.08 C HETATM 1885 OG TYR A 37 -19.679 43.300 63.199 1.00 -0.39 O HETATM 1886 H TYR A 37 -19.405 43.984 63.799 1.00 0.21 H HETATM 1887 H TYR A 37 -19.995 41.955 64.725 1.00 0.06 H HETATM 1888 H TYR A 37 -21.416 42.944 64.246 1.00 0.06 H HETATM 1889 H TYR A 37 -21.424 41.734 62.038 1.00 0.08 H HETATM 1890 H TYR A 37 -21.817 39.884 64.342 1.00 0.19 H HETATM 1891 CB TYR A 37 -24.338 38.255 63.156 1.00 0.08 C HETATM 1892 OG TYR A 37 -24.672 38.417 61.787 1.00 -0.39 O HETATM 1893 H TYR A 37 -24.020 38.965 61.366 1.00 0.21 H HETATM 1894 H TYR A 37 -25.094 37.616 63.636 1.00 0.06 H HETATM 1895 H TYR A 37 -23.352 37.774 63.230 1.00 0.06 H HETATM 1896 H TYR A 37 -23.916 39.437 64.901 1.00 0.08 H HETATM 1897 H TYR A 37 -26.164 40.314 63.150 1.00 0.19 H HETATM 1898 CB TYR A 37 -27.730 42.323 65.935 1.00 -0.00 C HETATM 1899 H TYR A 37 -27.014 43.071 65.563 1.00 0.03 H HETATM 1900 H TYR A 37 -27.516 42.105 66.992 1.00 0.03 H HETATM 1901 H TYR A 37 -28.753 42.716 65.841 1.00 0.03 H HETATM 1902 H TYR A 37 -27.850 41.277 64.070 1.00 0.11 H HETATM 1903 H TYR A 37 -29.479 40.396 65.550 1.00 0.20 H HETATM 1904 H TYR A 37 -28.316 39.778 66.538 1.00 0.20 H HETATM 1905 H TYR A 37 -28.477 39.211 65.001 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 863 864 879 880 881 CONECT 879 863 CONECT 880 863 CONECT 881 863 CONECT 1761 1762 1903 1904 1905 CONECT 1762 1761 1763 1898 1902 CONECT 1763 1762 1764 1765 CONECT 1764 1763 CONECT 1765 1763 1766 1897 CONECT 1766 1765 1767 1891 1896 CONECT 1767 1766 1768 1769 CONECT 1768 1767 CONECT 1769 1767 1770 1890 CONECT 1770 1769 1771 1884 1889 CONECT 1771 1770 1772 1773 CONECT 1772 1771 CONECT 1773 1771 1774 1883 CONECT 1774 1773 1775 1874 1882 CONECT 1775 1774 1776 1777 CONECT 1776 1775 CONECT 1777 1775 1778 1873 CONECT 1778 1777 1779 1864 1872 CONECT 1779 1778 1780 1781 CONECT 1780 1779 CONECT 1781 1779 1782 1863 CONECT 1782 1781 1783 1861 1862 CONECT 1783 1782 1784 1785 CONECT 1784 1783 CONECT 1785 1783 1786 1860 CONECT 1786 1785 1787 1851 1859 CONECT 1787 1786 1788 1789 CONECT 1788 1787 CONECT 1789 1787 1790 1850 CONECT 1790 1789 1791 1838 1849 CONECT 1791 1790 1792 1793 CONECT 1792 1791 CONECT 1793 1791 1794 1837 CONECT 1794 1793 1795 1831 1836 CONECT 1795 1794 1796 1797 CONECT 1796 1795 CONECT 1797 1795 1798 1830 CONECT 1798 1797 1799 1823 1829 CONECT 1799 1798 1800 1801 CONECT 1800 1799 CONECT 1801 1799 1802 1822 CONECT 1802 1801 1803 1808 1821 CONECT 1803 1802 1804 1805 CONECT 1804 1803 CONECT 1805 1803 1806 1807 CONECT 1806 1805 CONECT 1807 1805 CONECT 1808 1802 1809 1816 1820 CONECT 1809 1808 1810 1814 1815 CONECT 1810 1809 1811 1812 1813 CONECT 1811 1810 CONECT 1812 1810 CONECT 1813 1810 CONECT 1814 1809 CONECT 1815 1809 CONECT 1816 1808 1817 1818 1819 CONECT 1817 1816 CONECT 1818 1816 CONECT 1819 1816 CONECT 1820 1808 CONECT 1821 1802 CONECT 1822 1801 CONECT 1823 1798 1824 1827 1828 CONECT 1824 1823 1825 1826 CONECT 1825 1824 CONECT 1826 1824 CONECT 1827 1823 CONECT 1828 1823 CONECT 1829 1798 CONECT 1830 1797 CONECT 1831 1794 1832 1834 1835 CONECT 1832 1831 1833 CONECT 1833 1832 CONECT 1834 1831 CONECT 1835 1831 CONECT 1836 1794 CONECT 1837 1793 CONECT 1838 1790 1839 1847 1848 CONECT 1839 1838 1840 1845 1846 CONECT 1840 1839 1841 1842 CONECT 1841 1840 CONECT 1842 1840 1843 1844 CONECT 1843 1842 CONECT 1844 1842 CONECT 1845 1839 CONECT 1846 1839 CONECT 1847 1838 CONECT 1848 1838 CONECT 1849 1790 CONECT 1850 1789 CONECT 1851 1786 1852 1854 1858 CONECT 1852 1851 1853 CONECT 1853 1852 CONECT 1854 1851 1855 1856 1857 CONECT 1855 1854 CONECT 1856 1854 CONECT 1857 1854 CONECT 1858 1851 CONECT 1859 1786 CONECT 1860 1785 CONECT 1861 1782 CONECT 1862 1782 CONECT 1863 1781 CONECT 1864 1778 1865 1867 1871 CONECT 1865 1864 1866 CONECT 1866 1865 CONECT 1867 1864 1868 1869 1870 CONECT 1868 1867 CONECT 1869 1867 CONECT 1870 1867 CONECT 1871 1864 CONECT 1872 1778 CONECT 1873 1777 CONECT 1874 1774 1875 1877 1881 CONECT 1875 1874 1876 CONECT 1876 1875 CONECT 1877 1874 1878 1879 1880 CONECT 1878 1877 CONECT 1879 1877 CONECT 1880 1877 CONECT 1881 1874 CONECT 1882 1774 CONECT 1883 1773 CONECT 1884 1770 1885 1887 1888 CONECT 1885 1884 1886 CONECT 1886 1885 CONECT 1887 1884 CONECT 1888 1884 CONECT 1889 1770 CONECT 1890 1769 CONECT 1891 1766 1892 1894 1895 CONECT 1892 1891 1893 CONECT 1893 1892 CONECT 1894 1891 CONECT 1895 1891 CONECT 1896 1766 CONECT 1897 1765 CONECT 1898 1762 1899 1900 1901 CONECT 1899 1898 CONECT 1900 1898 CONECT 1901 1898 CONECT 1902 1762 CONECT 1903 1761 CONECT 1904 1761 CONECT 1905 1761 MASTER 0 0 0 0 0 0 0 0 1903 2 153 14 END
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Entry Information
PDB ID
4qh8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Dynein light chain 1, cytoplasmic LC8
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=12.8uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Biol.Chem. Vol. 289: pp. 20727-20739
Ligand Properties
Formula
C
4
1
H
7
2
N
1
3
O
1
9
S
Molecular Weight
1083.150
Exact Mass
1082.480
No. of atoms
146
No. of bonds
145
Polar Surface Area
582.07
LOGP Value
-9.88 (
Computed with XLOGP3
)
-6.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 0
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CO)CO)CCC(=O)N)CS)CC(=O)O)C
InChI String
InChI=1S/C41H71N13O19S/c1-7-15(2)28(32(44)64)52-35(67)21(10-27(62)63)47-38(70)24(14-74)50-34(66)20(8-9-25(43)60)46-40(72)30(18(5)58)51-26(61)11-45-39(71)29(17(4)57)54-41(73)31(19(6)59)53-37(69)23(13-56)49-36(68)22(12-55)48-33(65)16(3)42/h15-24,28-31,55-59,74H,7-14,42H2,1-6H3,(H2,43,60)(H2,44,64)(H,45,71)(H,46,72)(H,47,70)(H,48,65)(H,49,68)(H,50,66)(H,51,61)(H,52,67)(H,53,69)(H,54,73)(H,62,63)/p+1/t15-,16-,17+,18+,19+,20-,21-,22-,23-,24-,28-,29-,30-,31-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q9XZ31
Q24117
Entrez Gene ID
NCBI Entrez Gene ID:
35878
31405
ASD
Information of known allosteric effects of PDB entries
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