Browse entries in the PDBbind-CN Database
HEADER 5VM6_COMPLEX COMPND 5VM6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 VAL LYS LEU GLN GLN SER GLY GLY GLY MET VAL GLN THR SEQRES 2 A 129 GLY ASP SER LEU ARG LEU SER CYS VAL GLY SER ARG ARG SEQRES 3 A 129 ALA LEU SER SER THR ILE VAL GLY TRP PHE ARG GLN ILE SEQRES 4 A 129 PRO GLY LYS GLU ARG GLU PHE VAL GLY GLY ILE ALA TRP SEQRES 5 A 129 SER SER SER ASP THR TRP TYR ALA ASP SER VAL LYS GLY SEQRES 6 A 129 ARG PHE THR ILE SER LYS ASP ASP ALA ALA ASN GLY VAL SEQRES 7 A 129 HIS LEU GLN MET SER SER LEU LYS PRO GLU ASP THR ALA SEQRES 8 A 129 VAL TYR TYR CYS ALA SER ALA LEU ARG ARG PRO GLY SER SEQRES 9 A 129 ASP ALA SER ASP TYR THR ARG ILE PRO ASP TYR PRO TYR SEQRES 10 A 129 TRP GLY GLN GLY THR GLN VAL THR VAL SER SER HIS HET NA A 1 1 HET UNN A 230 28 SSBOND 1 CYS A 24 CYS A 98 ATOM 1 N VAL A 4 39.870 -12.511 -4.396 1.00 16.82 N ATOM 2 CA VAL A 4 39.751 -11.202 -3.689 1.00 15.26 C ATOM 3 C VAL A 4 40.931 -10.290 -4.018 1.00 14.86 C ATOM 4 O VAL A 4 42.068 -10.755 -4.107 1.00 15.81 O ATOM 5 CB VAL A 4 39.542 -11.390 -2.154 1.00 14.63 C ATOM 6 CG1 VAL A 4 40.761 -11.994 -1.456 1.00 14.60 C ATOM 7 CG2 VAL A 4 39.128 -10.093 -1.491 1.00 13.88 C ATOM 8 HN3 VAL A 4 40.749 -12.984 -4.102 1.00 0.00 H ATOM 9 HN2 VAL A 4 39.889 -12.348 -5.423 1.00 0.00 H ATOM 10 HN1 VAL A 4 39.055 -13.110 -4.154 1.00 0.00 H ATOM 11 N LYS A 5 40.631 -9.002 -4.235 1.00 13.84 N ATOM 12 CA LYS A 5 41.631 -7.938 -4.401 1.00 13.93 C ATOM 13 C LYS A 5 41.570 -7.006 -3.186 1.00 11.19 C ATOM 14 O LYS A 5 40.478 -6.670 -2.711 1.00 10.19 O ATOM 15 CB LYS A 5 41.341 -7.127 -5.666 1.00 17.13 C ATOM 16 CG LYS A 5 41.188 -7.955 -6.941 1.00 20.42 C ATOM 17 CD LYS A 5 42.537 -8.271 -7.555 1.00 23.25 C ATOM 18 CE LYS A 5 42.387 -8.761 -8.984 1.00 25.75 C ATOM 19 NZ LYS A 5 43.423 -8.163 -9.871 1.00 27.49 N ATOM 20 HZ1 LYS A 5 43.328 -7.127 -9.863 1.00 0.00 H ATOM 21 HZ2 LYS A 5 44.368 -8.428 -9.526 1.00 0.00 H ATOM 22 HZ3 LYS A 5 43.294 -8.517 -10.840 1.00 0.00 H ATOM 23 H LYS A 5 39.626 -8.739 -4.289 1.00 0.00 H ATOM 24 N LEU A 6 42.730 -6.549 -2.736 1.00 9.49 N ATOM 25 CA LEU A 6 42.859 -5.736 -1.544 1.00 8.75 C ATOM 26 C LEU A 6 43.361 -4.348 -1.928 1.00 8.96 C ATOM 27 O LEU A 6 44.351 -4.238 -2.658 1.00 8.80 O ATOM 28 CB LEU A 6 43.854 -6.362 -0.540 1.00 8.29 C ATOM 29 CG LEU A 6 43.503 -7.783 -0.096 1.00 8.24 C ATOM 30 CD1 LEU A 6 44.583 -8.349 0.784 1.00 8.28 C ATOM 31 CD2 LEU A 6 42.150 -7.830 0.580 1.00 8.31 C ATOM 32 H LEU A 6 43.593 -6.786 -3.266 1.00 0.00 H ATOM 33 N GLN A 7 42.688 -3.323 -1.389 1.00 9.06 N ATOM 34 CA GLN A 7 42.952 -1.926 -1.697 1.00 10.43 C ATOM 35 C GLN A 7 43.261 -1.177 -0.412 1.00 9.17 C ATOM 36 O GLN A 7 42.443 -1.186 0.493 1.00 8.87 O ATOM 37 CB GLN A 7 41.710 -1.321 -2.359 1.00 12.89 C ATOM 38 CG GLN A 7 41.577 -1.667 -3.845 1.00 15.38 C ATOM 39 CD GLN A 7 42.285 -0.665 -4.730 1.00 18.76 C ATOM 40 OE1 GLN A 7 41.790 0.450 -4.957 1.00 15.40 O ATOM 41 NE2 GLN A 7 43.486 -1.055 -5.236 1.00 19.91 N ATOM 42 HE22 GLN A 7 43.860 -2.000 -5.017 1.00 0.00 H ATOM 43 HE21 GLN A 7 44.030 -0.408 -5.841 1.00 0.00 H ATOM 44 H GLN A 7 41.931 -3.539 -0.709 1.00 0.00 H ATOM 45 N GLN A 8 44.422 -0.524 -0.368 1.00 7.99 N ATOM 46 CA GLN A 8 44.899 0.222 0.815 1.00 7.46 C ATOM 47 C GLN A 8 44.842 1.719 0.633 1.00 7.11 C ATOM 48 O GLN A 8 44.989 2.211 -0.468 1.00 7.39 O ATOM 49 CB GLN A 8 46.352 -0.153 1.111 1.00 7.62 C ATOM 50 CG GLN A 8 46.554 -1.642 1.294 1.00 7.61 C ATOM 51 CD GLN A 8 47.972 -1.998 1.649 1.00 7.36 C ATOM 52 OE1 GLN A 8 48.424 -3.072 1.300 1.00 6.75 O ATOM 53 NE2 GLN A 8 48.656 -1.138 2.403 1.00 7.23 N ATOM 54 HE22 GLN A 8 48.227 -0.231 2.676 1.00 0.00 H ATOM 55 HE21 GLN A 8 49.619 -1.374 2.718 1.00 0.00 H ATOM 56 H GLN A 8 45.026 -0.540 -1.214 1.00 0.00 H ATOM 57 N SER A 9 44.731 2.420 1.748 1.00 6.67 N ATOM 58 CA SER A 9 44.705 3.889 1.763 1.00 6.50 C ATOM 59 C SER A 9 46.130 4.481 1.681 1.00 6.60 C ATOM 60 O SER A 9 47.153 3.766 1.654 1.00 7.30 O ATOM 61 CB SER A 9 43.958 4.356 3.015 1.00 6.52 C ATOM 62 OG SER A 9 44.588 3.893 4.195 1.00 6.37 O ATOM 63 HG SER A 9 45.514 4.242 4.232 1.00 0.00 H ATOM 64 H SER A 9 44.659 1.911 2.652 1.00 0.00 H ATOM 65 N GLY A 10 46.213 5.803 1.696 1.00 6.53 N ATOM 66 CA GLY A 10 47.465 6.489 1.521 1.00 6.59 C ATOM 67 C GLY A 10 48.302 6.522 2.776 1.00 6.76 C ATOM 68 O GLY A 10 47.833 6.253 3.886 1.00 6.59 O ATOM 69 H GLY A 10 45.347 6.361 1.839 1.00 0.00 H ATOM 70 N GLY A 11 49.556 6.904 2.611 1.00 7.46 N ATOM 71 CA GLY A 11 50.477 6.977 3.734 1.00 8.24 C ATOM 72 C GLY A 11 51.089 8.353 3.776 1.00 9.04 C ATOM 73 O GLY A 11 50.381 9.373 3.857 1.00 11.82 O ATOM 74 H GLY A 11 49.891 7.157 1.660 1.00 0.00 H ATOM 75 N GLY A 12 52.396 8.387 3.653 1.00 8.77 N ATOM 76 CA GLY A 12 53.129 9.643 3.633 1.00 9.42 C ATOM 77 C GLY A 12 54.027 9.869 4.817 1.00 10.09 C ATOM 78 O GLY A 12 54.372 8.938 5.572 1.00 9.13 O ATOM 79 H GLY A 12 52.920 7.493 3.568 1.00 0.00 H ATOM 80 N MET A 13 54.422 11.125 4.984 1.00 11.27 N ATOM 81 CA MET A 13 55.351 11.479 6.048 1.00 13.07 C ATOM 82 C MET A 13 54.567 11.884 7.287 1.00 12.09 C ATOM 83 O MET A 13 53.600 12.666 7.236 1.00 11.07 O ATOM 84 CB MET A 13 56.353 12.566 5.607 1.00 17.66 C ATOM 85 CG MET A 13 57.664 12.550 6.433 1.00 23.22 C ATOM 86 SD MET A 13 59.193 13.336 5.785 1.00 32.16 S ATOM 87 CE MET A 13 59.951 11.983 4.887 1.00 30.70 C ATOM 88 H MET A 13 54.064 11.865 4.347 1.00 0.00 H ATOM 89 N VAL A 14 54.984 11.355 8.420 1.00 10.96 N ATOM 90 CA VAL A 14 54.409 11.746 9.685 1.00 12.01 C ATOM 91 C VAL A 14 55.536 12.008 10.676 1.00 12.00 C ATOM 92 O VAL A 14 56.694 11.671 10.411 1.00 12.21 O ATOM 93 CB VAL A 14 53.441 10.700 10.241 1.00 12.84 C ATOM 94 CG1 VAL A 14 52.271 10.464 9.275 1.00 13.70 C ATOM 95 CG2 VAL A 14 54.172 9.408 10.519 1.00 12.42 C ATOM 96 H VAL A 14 55.741 10.643 8.402 1.00 0.00 H ATOM 97 N GLN A 15 55.188 12.669 11.772 1.00 11.61 N ATOM 98 CA GLN A 15 56.188 13.004 12.777 1.00 12.06 C ATOM 99 C GLN A 15 56.121 12.097 13.994 1.00 11.20 C ATOM 100 O GLN A 15 55.062 11.573 14.360 1.00 10.41 O ATOM 101 CB GLN A 15 56.073 14.463 13.157 1.00 13.31 C ATOM 102 CG GLN A 15 56.528 15.332 11.999 1.00 15.02 C ATOM 103 CD GLN A 15 56.711 16.789 12.368 1.00 16.66 C ATOM 104 OE1 GLN A 15 55.749 17.476 12.733 1.00 18.76 O ATOM 105 NE2 GLN A 15 57.948 17.280 12.264 1.00 17.64 N ATOM 106 HE22 GLN A 15 58.727 16.665 11.953 1.00 0.00 H ATOM 107 HE21 GLN A 15 58.133 18.277 12.494 1.00 0.00 H ATOM 108 H GLN A 15 54.197 12.949 11.915 1.00 0.00 H ATOM 109 N THR A 16 57.287 11.880 14.600 1.00 10.51 N ATOM 110 CA THR A 16 57.397 11.088 15.789 1.00 10.76 C ATOM 111 C THR A 16 56.307 11.416 16.802 1.00 11.00 C ATOM 112 O THR A 16 56.045 12.596 17.084 1.00 10.58 O ATOM 113 CB THR A 16 58.799 11.255 16.415 1.00 11.07 C ATOM 114 OG1 THR A 16 59.766 10.780 15.473 1.00 11.61 O ATOM 115 CG2 THR A 16 58.956 10.459 17.706 1.00 11.47 C ATOM 116 HG1 THR A 16 59.699 11.308 14.638 1.00 0.00 H ATOM 117 H THR A 16 58.148 12.300 14.196 1.00 0.00 H ATOM 118 N GLY A 17 55.669 10.370 17.323 1.00 10.95 N ATOM 119 CA GLY A 17 54.588 10.538 18.281 1.00 11.51 C ATOM 120 C GLY A 17 53.204 10.638 17.689 1.00 12.44 C ATOM 121 O GLY A 17 52.226 10.510 18.431 1.00 13.47 O ATOM 122 H GLY A 17 55.950 9.410 17.038 1.00 0.00 H ATOM 123 N ASP A 18 53.115 10.878 16.368 1.00 12.48 N ATOM 124 CA ASP A 18 51.832 11.022 15.662 1.00 12.89 C ATOM 125 C ASP A 18 51.170 9.632 15.533 1.00 11.93 C ATOM 126 O ASP A 18 51.820 8.570 15.658 1.00 11.40 O ATOM 127 CB ASP A 18 51.996 11.563 14.221 1.00 15.09 C ATOM 128 CG ASP A 18 52.347 13.054 14.114 1.00 17.03 C ATOM 129 OD1 ASP A 18 52.257 13.813 15.098 1.00 17.84 O ATOM 130 OD2 ASP A 18 52.704 13.466 12.959 1.00 17.99 O ATOM 131 H ASP A 18 53.995 10.966 15.820 1.00 0.00 H ATOM 132 N SER A 19 49.875 9.662 15.236 1.00 11.96 N ATOM 133 CA SER A 19 49.083 8.483 14.874 1.00 11.69 C ATOM 134 C SER A 19 48.649 8.542 13.410 1.00 10.84 C ATOM 135 O SER A 19 48.501 9.613 12.825 1.00 10.35 O ATOM 136 CB SER A 19 47.831 8.413 15.738 1.00 13.54 C ATOM 137 OG SER A 19 48.135 8.032 17.049 1.00 16.76 O ATOM 138 HG SER A 19 48.756 8.692 17.448 1.00 0.00 H ATOM 139 H SER A 19 49.392 10.583 15.262 1.00 0.00 H ATOM 140 N LEU A 20 48.398 7.367 12.843 1.00 9.72 N ATOM 141 CA LEU A 20 47.883 7.225 11.484 1.00 9.50 C ATOM 142 C LEU A 20 46.918 6.044 11.518 1.00 9.00 C ATOM 143 O LEU A 20 47.222 5.052 12.165 1.00 9.55 O ATOM 144 CB LEU A 20 49.061 6.926 10.572 1.00 10.14 C ATOM 145 CG LEU A 20 48.892 6.699 9.093 1.00 11.01 C ATOM 146 CD1 LEU A 20 48.242 7.871 8.393 1.00 11.15 C ATOM 147 CD2 LEU A 20 50.303 6.493 8.546 1.00 11.24 C ATOM 148 H LEU A 20 48.577 6.504 13.395 1.00 0.00 H ATOM 149 N ARG A 21 45.757 6.160 10.862 1.00 8.02 N ATOM 150 CA ARG A 21 44.828 5.041 10.710 1.00 7.97 C ATOM 151 C ARG A 21 44.706 4.658 9.231 1.00 7.38 C ATOM 152 O ARG A 21 44.080 5.376 8.440 1.00 7.00 O ATOM 153 CB ARG A 21 43.450 5.399 11.255 1.00 8.83 C ATOM 154 CG ARG A 21 42.473 4.222 11.199 1.00 10.17 C ATOM 155 CD ARG A 21 41.306 4.364 12.127 1.00 12.15 C ATOM 156 NE ARG A 21 40.419 5.404 11.671 1.00 13.53 N ATOM 157 CZ ARG A 21 40.023 6.506 12.333 1.00 13.75 C ATOM 158 NH1 ARG A 21 40.396 6.829 13.562 1.00 15.45 N ATOM 159 NH2 ARG A 21 39.206 7.312 11.707 1.00 14.13 N ATOM 160 HE ARG A 21 40.037 5.288 10.710 1.00 0.00 H ATOM 161 HH12 ARG A 21 40.041 7.703 14.000 1.00 0.00 H ATOM 162 HH11 ARG A 21 41.044 6.209 14.089 1.00 0.00 H ATOM 163 HH22 ARG A 21 38.870 8.178 12.175 1.00 0.00 H ATOM 164 HH21 ARG A 21 38.892 7.087 10.741 1.00 0.00 H ATOM 165 H ARG A 21 45.507 7.079 10.445 1.00 0.00 H ATOM 166 N LEU A 22 45.265 3.498 8.885 1.00 6.66 N ATOM 167 CA LEU A 22 45.232 2.965 7.519 1.00 6.79 C ATOM 168 C LEU A 22 43.971 2.120 7.341 1.00 6.99 C ATOM 169 O LEU A 22 43.460 1.544 8.310 1.00 6.99 O ATOM 170 CB LEU A 22 46.475 2.106 7.236 1.00 6.96 C ATOM 171 CG LEU A 22 47.838 2.789 7.355 1.00 7.20 C ATOM 172 CD1 LEU A 22 48.932 1.854 6.895 1.00 7.37 C ATOM 173 CD2 LEU A 22 47.866 4.061 6.538 1.00 7.46 C ATOM 174 H LEU A 22 45.748 2.944 9.620 1.00 0.00 H ATOM 175 N SER A 23 43.477 2.110 6.092 1.00 6.64 N ATOM 176 CA SER A 23 42.353 1.296 5.662 1.00 7.00 C ATOM 177 C SER A 23 42.825 0.258 4.659 1.00 6.86 C ATOM 178 O SER A 23 43.742 0.494 3.854 1.00 6.24 O ATOM 179 CB SER A 23 41.303 2.212 5.023 1.00 7.52 C ATOM 180 OG SER A 23 40.257 1.494 4.351 1.00 7.90 O ATOM 181 HG SER A 23 39.789 0.910 5.000 1.00 0.00 H ATOM 182 H SER A 23 43.929 2.726 5.386 1.00 0.00 H ATOM 183 N CYS A 24 42.211 -0.918 4.728 1.00 6.94 N ATOM 184 CA CYS A 24 42.345 -1.913 3.693 1.00 7.32 C ATOM 185 C CYS A 24 40.960 -2.517 3.424 1.00 7.17 C ATOM 186 O CYS A 24 40.292 -2.930 4.359 1.00 6.94 O ATOM 187 CB CYS A 24 43.320 -2.985 4.155 1.00 7.95 C ATOM 188 SG CYS A 24 43.430 -4.430 3.069 1.00 8.88 S ATOM 189 H CYS A 24 41.615 -1.128 5.554 1.00 0.00 H ATOM 190 N VAL A 25 40.586 -2.598 2.158 1.00 6.98 N ATOM 191 CA VAL A 25 39.227 -3.005 1.786 1.00 7.37 C ATOM 192 C VAL A 25 39.312 -4.150 0.791 1.00 7.06 C ATOM 193 O VAL A 25 40.132 -4.108 -0.119 1.00 7.01 O ATOM 194 CB VAL A 25 38.466 -1.809 1.149 1.00 7.86 C ATOM 195 CG1 VAL A 25 37.160 -2.264 0.519 1.00 8.17 C ATOM 196 CG2 VAL A 25 38.176 -0.736 2.186 1.00 8.46 C ATOM 197 H VAL A 25 41.271 -2.368 1.410 1.00 0.00 H ATOM 198 N GLY A 26 38.457 -5.161 0.939 1.00 6.72 N ATOM 199 CA GLY A 26 38.418 -6.291 0.038 1.00 6.83 C ATOM 200 C GLY A 26 37.360 -6.116 -1.039 1.00 6.81 C ATOM 201 O GLY A 26 36.264 -5.568 -0.796 1.00 6.80 O ATOM 202 H GLY A 26 37.790 -5.136 1.736 1.00 0.00 H ATOM 203 N SER A 27 37.680 -6.607 -2.236 1.00 6.90 N ATOM 204 CA SER A 27 36.784 -6.525 -3.364 1.00 6.97 C ATOM 205 C SER A 27 35.562 -7.423 -3.203 1.00 6.91 C ATOM 206 O SER A 27 34.520 -7.170 -3.817 1.00 6.86 O ATOM 207 CB SER A 27 37.546 -6.909 -4.643 1.00 7.01 C ATOM 208 OG SER A 27 37.928 -8.270 -4.599 1.00 7.17 O ATOM 209 HG SER A 27 38.417 -8.501 -5.428 1.00 0.00 H ATOM 210 H SER A 27 38.606 -7.064 -2.361 1.00 0.00 H ATOM 211 N ARG A 28 35.698 -8.493 -2.429 1.00 6.94 N ATOM 212 CA ARG A 28 34.602 -9.423 -2.161 1.00 6.86 C ATOM 213 C ARG A 28 34.381 -9.492 -0.667 1.00 7.06 C ATOM 214 O ARG A 28 35.326 -9.373 0.119 1.00 6.29 O ATOM 215 CB ARG A 28 34.913 -10.825 -2.684 1.00 7.19 C ATOM 216 CG ARG A 28 34.831 -10.945 -4.195 1.00 7.38 C ATOM 217 CD ARG A 28 33.384 -10.937 -4.697 1.00 7.53 C ATOM 218 NE ARG A 28 33.317 -11.433 -6.056 1.00 7.92 N ATOM 219 CZ ARG A 28 32.207 -11.835 -6.695 1.00 8.21 C ATOM 220 NH1 ARG A 28 31.041 -11.714 -6.124 1.00 8.70 N ATOM 221 NH2 ARG A 28 32.280 -12.292 -7.944 1.00 8.29 N ATOM 222 HE ARG A 28 34.211 -11.482 -6.585 1.00 0.00 H ATOM 223 HH12 ARG A 28 30.183 -12.027 -6.622 1.00 0.00 H ATOM 224 HH11 ARG A 28 30.969 -11.305 -5.171 1.00 0.00 H ATOM 225 HH22 ARG A 28 31.418 -12.602 -8.435 1.00 0.00 H ATOM 226 HH21 ARG A 28 33.199 -12.338 -8.428 1.00 0.00 H ATOM 227 H ARG A 28 36.625 -8.678 -1.994 1.00 0.00 H ATOM 228 N ARG A 29 33.129 -9.687 -0.276 1.00 7.02 N ATOM 229 CA ARG A 29 32.768 -9.766 1.129 1.00 7.40 C ATOM 230 C ARG A 29 33.580 -10.816 1.871 1.00 7.02 C ATOM 231 O ARG A 29 33.836 -11.910 1.338 1.00 6.81 O ATOM 232 CB ARG A 29 31.286 -10.061 1.281 1.00 8.20 C ATOM 233 CG ARG A 29 30.800 -9.855 2.701 1.00 8.66 C ATOM 234 CD ARG A 29 29.341 -10.211 2.764 1.00 8.82 C ATOM 235 NE ARG A 29 28.570 -9.266 1.972 1.00 9.15 N ATOM 236 CZ ARG A 29 27.325 -9.470 1.572 1.00 9.05 C ATOM 237 NH1 ARG A 29 26.700 -10.581 1.882 1.00 9.38 N ATOM 238 NH2 ARG A 29 26.722 -8.532 0.863 1.00 8.96 N ATOM 239 HE ARG A 29 29.027 -8.371 1.702 1.00 0.00 H ATOM 240 HH12 ARG A 29 25.722 -10.733 1.564 1.00 0.00 H ATOM 241 HH11 ARG A 29 27.183 -11.309 2.446 1.00 0.00 H ATOM 242 HH22 ARG A 29 25.744 -8.673 0.539 1.00 0.00 H ATOM 243 HH21 ARG A 29 27.226 -7.653 0.629 1.00 0.00 H ATOM 244 H ARG A 29 32.385 -9.786 -0.995 1.00 0.00 H ATOM 245 N ALA A 30 33.973 -10.479 3.099 1.00 6.96 N ATOM 246 CA ALA A 30 34.680 -11.435 3.962 1.00 7.12 C ATOM 247 C ALA A 30 33.891 -12.714 4.094 1.00 7.49 C ATOM 248 O ALA A 30 32.648 -12.717 4.118 1.00 7.87 O ATOM 249 CB ALA A 30 34.918 -10.861 5.338 1.00 7.32 C ATOM 250 H ALA A 30 33.776 -9.521 3.453 1.00 0.00 H ATOM 251 N LEU A 31 34.631 -13.798 4.203 1.00 8.04 N ATOM 252 CA LEU A 31 34.082 -15.104 4.521 1.00 8.54 C ATOM 253 C LEU A 31 34.259 -15.322 6.023 1.00 8.83 C ATOM 254 O LEU A 31 35.066 -14.657 6.669 1.00 7.94 O ATOM 255 CB LEU A 31 34.842 -16.191 3.736 1.00 8.93 C ATOM 256 CG LEU A 31 34.788 -16.036 2.192 1.00 9.94 C ATOM 257 CD1 LEU A 31 35.517 -17.191 1.521 1.00 10.55 C ATOM 258 CD2 LEU A 31 33.377 -15.826 1.673 1.00 10.85 C ATOM 259 H LEU A 31 35.657 -13.715 4.054 1.00 0.00 H ATOM 260 N SER A 32 33.562 -16.306 6.577 1.00 9.54 N ATOM 261 CA SER A 32 33.771 -16.667 7.986 1.00 10.38 C ATOM 262 C SER A 32 35.215 -17.108 8.309 1.00 9.48 C ATOM 263 O SER A 32 35.652 -17.020 9.448 1.00 10.69 O ATOM 264 CB SER A 32 32.792 -17.772 8.410 1.00 11.60 C ATOM 265 OG SER A 32 32.976 -18.955 7.670 1.00 13.72 O ATOM 266 HG SER A 32 32.327 -19.638 7.975 1.00 0.00 H ATOM 267 H SER A 32 32.862 -16.826 6.010 1.00 0.00 H ATOM 268 N SER A 33 35.929 -17.560 7.291 1.00 8.46 N ATOM 269 CA SER A 33 37.290 -18.038 7.416 1.00 7.73 C ATOM 270 C SER A 33 38.330 -17.002 7.067 1.00 6.42 C ATOM 271 O SER A 33 39.517 -17.283 7.141 1.00 6.38 O ATOM 272 CB SER A 33 37.445 -19.255 6.526 1.00 8.45 C ATOM 273 OG SER A 33 37.111 -18.914 5.185 1.00 9.44 O ATOM 274 HG SER A 33 37.214 -19.712 4.608 1.00 0.00 H ATOM 275 H SER A 33 35.488 -17.573 6.349 1.00 0.00 H ATOM 276 N THR A 34 37.901 -15.792 6.696 1.00 5.48 N ATOM 277 CA THR A 34 38.830 -14.756 6.301 1.00 5.13 C ATOM 278 C THR A 34 39.709 -14.342 7.466 1.00 4.88 C ATOM 279 O THR A 34 39.216 -14.130 8.598 1.00 4.82 O ATOM 280 CB THR A 34 38.047 -13.541 5.762 1.00 5.08 C ATOM 281 OG1 THR A 34 37.479 -13.867 4.488 1.00 4.87 O ATOM 282 CG2 THR A 34 38.925 -12.296 5.607 1.00 5.18 C ATOM 283 HG1 THR A 34 36.977 -13.087 4.143 1.00 0.00 H ATOM 284 H THR A 34 36.881 -15.592 6.691 1.00 0.00 H ATOM 285 N ILE A 35 41.009 -14.234 7.186 1.00 4.68 N ATOM 286 CA ILE A 35 41.973 -13.644 8.087 1.00 4.72 C ATOM 287 C ILE A 35 42.595 -12.463 7.358 1.00 4.54 C ATOM 288 O ILE A 35 42.859 -12.585 6.169 1.00 4.45 O ATOM 289 CB ILE A 35 43.089 -14.648 8.456 1.00 4.57 C ATOM 290 CG1 ILE A 35 42.493 -15.812 9.269 1.00 4.76 C ATOM 291 CG2 ILE A 35 44.237 -13.966 9.196 1.00 4.75 C ATOM 292 CD1 ILE A 35 43.481 -16.918 9.500 1.00 4.79 C ATOM 293 H ILE A 35 41.347 -14.594 6.270 1.00 0.00 H ATOM 294 N VAL A 36 42.738 -11.324 8.016 1.00 4.57 N ATOM 295 CA VAL A 36 43.394 -10.154 7.422 1.00 4.76 C ATOM 296 C VAL A 36 44.603 -9.819 8.255 1.00 4.63 C ATOM 297 O VAL A 36 44.524 -9.686 9.473 1.00 4.80 O ATOM 298 CB VAL A 36 42.461 -8.943 7.339 1.00 4.87 C ATOM 299 CG1 VAL A 36 43.125 -7.777 6.585 1.00 5.14 C ATOM 300 CG2 VAL A 36 41.134 -9.360 6.749 1.00 5.12 C ATOM 301 H VAL A 36 42.373 -11.256 8.987 1.00 0.00 H ATOM 302 N GLY A 37 45.726 -9.693 7.597 1.00 4.74 N ATOM 303 CA GLY A 37 46.988 -9.452 8.238 1.00 5.02 C ATOM 304 C GLY A 37 47.595 -8.163 7.755 1.00 5.22 C ATOM 305 O GLY A 37 47.289 -7.695 6.653 1.00 5.57 O ATOM 306 H GLY A 37 45.704 -9.771 6.560 1.00 0.00 H ATOM 307 N TRP A 38 48.430 -7.584 8.603 1.00 5.66 N ATOM 308 CA TRP A 38 49.294 -6.497 8.234 1.00 5.70 C ATOM 309 C TRP A 38 50.751 -6.873 8.447 1.00 5.43 C ATOM 310 O TRP A 38 51.121 -7.513 9.454 1.00 5.40 O ATOM 311 CB TRP A 38 48.960 -5.245 9.019 1.00 5.88 C ATOM 312 CG TRP A 38 47.698 -4.601 8.647 1.00 6.24 C ATOM 313 CD1 TRP A 38 46.472 -4.862 9.158 1.00 6.82 C ATOM 314 CD2 TRP A 38 47.522 -3.543 7.692 1.00 6.49 C ATOM 315 NE1 TRP A 38 45.532 -4.039 8.585 1.00 6.87 N ATOM 316 CE2 TRP A 38 46.140 -3.225 7.666 1.00 6.86 C ATOM 317 CE3 TRP A 38 48.389 -2.850 6.838 1.00 6.64 C ATOM 318 CZ2 TRP A 38 45.620 -2.214 6.845 1.00 6.77 C ATOM 319 CZ3 TRP A 38 47.860 -1.850 6.007 1.00 6.68 C ATOM 320 CH2 TRP A 38 46.486 -1.561 6.019 1.00 6.68 C ATOM 321 HE1 TRP A 38 44.517 -4.035 8.813 1.00 0.00 H ATOM 322 H TRP A 38 48.462 -7.932 9.582 1.00 0.00 H ATOM 323 N PHE A 39 51.551 -6.528 7.439 1.00 5.26 N ATOM 324 CA PHE A 39 52.998 -6.700 7.469 1.00 5.24 C ATOM 325 C PHE A 39 53.664 -5.351 7.180 1.00 5.44 C ATOM 326 O PHE A 39 53.005 -4.405 6.734 1.00 5.66 O ATOM 327 CB PHE A 39 53.485 -7.677 6.409 1.00 5.19 C ATOM 328 CG PHE A 39 53.063 -9.097 6.616 1.00 5.10 C ATOM 329 CD1 PHE A 39 51.745 -9.487 6.438 1.00 5.06 C ATOM 330 CD2 PHE A 39 53.994 -10.062 6.994 1.00 4.95 C ATOM 331 CE1 PHE A 39 51.346 -10.798 6.612 1.00 5.00 C ATOM 332 CE2 PHE A 39 53.610 -11.382 7.161 1.00 4.87 C ATOM 333 CZ PHE A 39 52.277 -11.737 7.008 1.00 4.91 C ATOM 334 H PHE A 39 51.121 -6.115 6.587 1.00 0.00 H ATOM 335 N ARG A 40 54.945 -5.245 7.444 1.00 5.72 N ATOM 336 CA ARG A 40 55.651 -4.030 7.029 1.00 5.86 C ATOM 337 C ARG A 40 57.025 -4.352 6.529 1.00 5.90 C ATOM 338 O ARG A 40 57.711 -5.209 7.112 1.00 5.73 O ATOM 339 CB ARG A 40 55.705 -3.029 8.179 1.00 6.23 C ATOM 340 CG ARG A 40 56.527 -3.468 9.389 1.00 6.61 C ATOM 341 CD ARG A 40 56.423 -2.418 10.489 1.00 7.28 C ATOM 342 NE ARG A 40 57.245 -2.748 11.638 1.00 7.98 N ATOM 343 CZ ARG A 40 57.452 -1.938 12.675 1.00 8.51 C ATOM 344 NH1 ARG A 40 56.845 -0.752 12.737 1.00 8.20 N ATOM 345 NH2 ARG A 40 58.236 -2.326 13.663 1.00 9.74 N ATOM 346 HE ARG A 40 57.704 -3.681 11.653 1.00 0.00 H ATOM 347 HH12 ARG A 40 57.011 -0.125 13.550 1.00 0.00 H ATOM 348 HH11 ARG A 40 56.205 -0.455 11.973 1.00 0.00 H ATOM 349 HH22 ARG A 40 58.400 -1.697 14.474 1.00 0.00 H ATOM 350 HH21 ARG A 40 58.690 -3.261 13.630 1.00 0.00 H ATOM 351 H ARG A 40 55.449 -6.009 7.938 1.00 0.00 H ATOM 352 N GLN A 41 57.387 -3.739 5.404 1.00 5.76 N ATOM 353 CA GLN A 41 58.715 -3.902 4.843 1.00 5.93 C ATOM 354 C GLN A 41 59.572 -2.746 5.284 1.00 5.74 C ATOM 355 O GLN A 41 59.534 -1.656 4.699 1.00 5.22 O ATOM 356 CB GLN A 41 58.637 -3.977 3.324 1.00 6.58 C ATOM 357 CG GLN A 41 59.960 -4.314 2.648 1.00 7.26 C ATOM 358 CD GLN A 41 59.758 -5.316 1.541 1.00 7.94 C ATOM 359 OE1 GLN A 41 58.878 -5.135 0.679 1.00 9.74 O ATOM 360 NE2 GLN A 41 60.520 -6.386 1.562 1.00 8.23 N ATOM 361 HE22 GLN A 41 61.243 -6.495 2.302 1.00 0.00 H ATOM 362 HE21 GLN A 41 60.400 -7.124 0.839 1.00 0.00 H ATOM 363 H GLN A 41 56.701 -3.129 4.916 1.00 0.00 H ATOM 364 N ILE A 42 60.315 -2.984 6.347 1.00 5.58 N ATOM 365 CA ILE A 42 61.356 -2.088 6.813 1.00 5.72 C ATOM 366 C ILE A 42 62.429 -2.020 5.728 1.00 5.32 C ATOM 367 O ILE A 42 62.716 -3.023 5.104 1.00 5.00 O ATOM 368 CB ILE A 42 61.950 -2.592 8.162 1.00 6.44 C ATOM 369 CG1 ILE A 42 60.883 -2.439 9.260 1.00 7.43 C ATOM 370 CG2 ILE A 42 63.209 -1.847 8.527 1.00 6.57 C ATOM 371 CD1 ILE A 42 61.373 -2.775 10.635 1.00 8.14 C ATOM 372 H ILE A 42 60.146 -3.861 6.880 1.00 0.00 H ATOM 373 N PRO A 43 62.974 -0.817 5.462 1.00 5.07 N ATOM 374 CA PRO A 43 63.942 -0.724 4.363 1.00 5.11 C ATOM 375 C PRO A 43 65.061 -1.757 4.440 1.00 5.23 C ATOM 376 O PRO A 43 65.650 -1.963 5.510 1.00 5.30 O ATOM 377 CB PRO A 43 64.472 0.710 4.511 1.00 4.99 C ATOM 378 CG PRO A 43 63.283 1.454 5.005 1.00 4.96 C ATOM 379 CD PRO A 43 62.625 0.525 5.983 1.00 5.06 C ATOM 380 N GLY A 44 65.299 -2.469 3.336 1.00 5.62 N ATOM 381 CA GLY A 44 66.334 -3.499 3.305 1.00 5.69 C ATOM 382 C GLY A 44 65.926 -4.839 3.879 1.00 6.05 C ATOM 383 O GLY A 44 66.725 -5.784 3.836 1.00 6.36 O ATOM 384 H GLY A 44 64.736 -2.287 2.481 1.00 0.00 H ATOM 385 N LYS A 45 64.720 -4.945 4.444 1.00 6.44 N ATOM 386 CA LYS A 45 64.312 -6.167 5.119 1.00 6.69 C ATOM 387 C LYS A 45 63.129 -6.829 4.401 1.00 7.34 C ATOM 388 O LYS A 45 62.527 -6.254 3.495 1.00 6.97 O ATOM 389 CB LYS A 45 63.935 -5.862 6.566 1.00 6.64 C ATOM 390 CG LYS A 45 64.906 -4.948 7.294 1.00 6.62 C ATOM 391 CD LYS A 45 66.272 -5.599 7.437 1.00 6.86 C ATOM 392 CE LYS A 45 67.273 -4.611 8.003 1.00 7.06 C ATOM 393 NZ LYS A 45 68.626 -5.234 8.070 1.00 7.62 N ATOM 394 HZ1 LYS A 45 68.590 -6.073 8.683 1.00 0.00 H ATOM 395 HZ2 LYS A 45 68.925 -5.514 7.114 1.00 0.00 H ATOM 396 HZ3 LYS A 45 69.303 -4.548 8.459 1.00 0.00 H ATOM 397 H LYS A 45 64.062 -4.141 4.400 1.00 0.00 H ATOM 398 N GLU A 46 62.813 -8.052 4.826 1.00 7.71 N ATOM 399 CA GLU A 46 61.614 -8.743 4.358 1.00 8.79 C ATOM 400 C GLU A 46 60.370 -8.062 4.864 1.00 8.79 C ATOM 401 O GLU A 46 60.439 -7.270 5.788 1.00 9.25 O ATOM 402 CB GLU A 46 61.612 -10.183 4.871 1.00 10.22 C ATOM 403 CG GLU A 46 61.414 -10.306 6.385 1.00 12.19 C ATOM 404 CD GLU A 46 61.470 -11.739 6.835 1.00 14.56 C ATOM 405 OE1 GLU A 46 61.482 -12.627 5.965 1.00 17.35 O ATOM 406 OE2 GLU A 46 61.497 -11.964 8.047 1.00 18.11 O ATOM 407 H GLU A 46 63.437 -8.527 5.509 1.00 0.00 H ATOM 408 N ARG A 47 59.224 -8.359 4.275 1.00 7.78 N ATOM 409 CA ARG A 47 57.947 -8.060 4.910 1.00 7.67 C ATOM 410 C ARG A 47 57.855 -8.791 6.273 1.00 8.07 C ATOM 411 O ARG A 47 57.952 -10.017 6.360 1.00 9.19 O ATOM 412 CB ARG A 47 56.782 -8.446 3.984 1.00 7.12 C ATOM 413 CG ARG A 47 56.537 -7.489 2.844 1.00 6.87 C ATOM 414 CD ARG A 47 55.542 -8.118 1.870 1.00 6.75 C ATOM 415 NE ARG A 47 56.227 -9.101 1.020 1.00 6.47 N ATOM 416 CZ ARG A 47 55.650 -9.863 0.086 1.00 6.61 C ATOM 417 NH1 ARG A 47 54.331 -9.853 -0.069 1.00 7.09 N ATOM 418 NH2 ARG A 47 56.384 -10.666 -0.685 1.00 6.83 N ATOM 419 HE ARG A 47 57.252 -9.214 1.157 1.00 0.00 H ATOM 420 HH12 ARG A 47 53.889 -10.448 -0.798 1.00 0.00 H ATOM 421 HH11 ARG A 47 53.741 -9.250 0.538 1.00 0.00 H ATOM 422 HH22 ARG A 47 55.924 -11.255 -1.409 1.00 0.00 H ATOM 423 HH21 ARG A 47 57.416 -10.704 -0.563 1.00 0.00 H ATOM 424 H ARG A 47 59.234 -8.815 3.340 1.00 0.00 H ATOM 425 N GLU A 48 57.756 -8.016 7.354 1.00 7.59 N ATOM 426 CA GLU A 48 57.693 -8.532 8.709 1.00 7.94 C ATOM 427 C GLU A 48 56.286 -8.410 9.270 1.00 7.09 C ATOM 428 O GLU A 48 55.614 -7.404 9.057 1.00 6.14 O ATOM 429 CB GLU A 48 58.671 -7.758 9.588 1.00 9.07 C ATOM 430 CG GLU A 48 60.128 -8.084 9.259 1.00 10.20 C ATOM 431 CD GLU A 48 61.124 -7.165 9.963 1.00 11.23 C ATOM 432 OE1 GLU A 48 60.771 -6.525 10.978 1.00 11.38 O ATOM 433 OE2 GLU A 48 62.312 -7.062 9.502 1.00 12.59 O ATOM 434 H GLU A 48 57.722 -6.985 7.218 1.00 0.00 H ATOM 435 N PHE A 49 55.850 -9.423 9.992 1.00 6.90 N ATOM 436 CA PHE A 49 54.494 -9.465 10.497 1.00 6.76 C ATOM 437 C PHE A 49 54.255 -8.352 11.519 1.00 6.54 C ATOM 438 O PHE A 49 55.111 -8.110 12.349 1.00 6.65 O ATOM 439 CB PHE A 49 54.214 -10.847 11.131 1.00 6.97 C ATOM 440 CG PHE A 49 52.819 -10.997 11.615 1.00 7.26 C ATOM 441 CD1 PHE A 49 51.772 -11.062 10.705 1.00 7.24 C ATOM 442 CD2 PHE A 49 52.534 -11.060 12.963 1.00 7.40 C ATOM 443 CE1 PHE A 49 50.485 -11.188 11.125 1.00 7.28 C ATOM 444 CE2 PHE A 49 51.242 -11.171 13.394 1.00 7.91 C ATOM 445 CZ PHE A 49 50.215 -11.258 12.472 1.00 7.43 C ATOM 446 H PHE A 49 56.495 -10.211 10.204 1.00 0.00 H ATOM 447 N VAL A 50 53.091 -7.713 11.436 1.00 6.24 N ATOM 448 CA VAL A 50 52.643 -6.682 12.380 1.00 6.48 C ATOM 449 C VAL A 50 51.482 -7.224 13.228 1.00 6.27 C ATOM 450 O VAL A 50 51.561 -7.279 14.457 1.00 6.30 O ATOM 451 CB VAL A 50 52.253 -5.398 11.608 1.00 6.63 C ATOM 452 CG1 VAL A 50 51.508 -4.363 12.469 1.00 6.97 C ATOM 453 CG2 VAL A 50 53.483 -4.780 10.981 1.00 6.67 C ATOM 454 H VAL A 50 52.456 -7.960 10.650 1.00 0.00 H ATOM 455 N GLY A 51 50.418 -7.668 12.578 1.00 6.12 N ATOM 456 CA GLY A 51 49.296 -8.203 13.338 1.00 6.04 C ATOM 457 C GLY A 51 48.255 -8.774 12.406 1.00 5.93 C ATOM 458 O GLY A 51 48.328 -8.573 11.206 1.00 6.03 O ATOM 459 H GLY A 51 50.383 -7.635 11.539 1.00 0.00 H ATOM 460 N GLY A 52 47.318 -9.502 12.974 1.00 5.52 N ATOM 461 CA GLY A 52 46.228 -10.084 12.225 1.00 5.15 C ATOM 462 C GLY A 52 44.922 -10.112 12.988 1.00 5.09 C ATOM 463 O GLY A 52 44.885 -9.997 14.218 1.00 4.80 O ATOM 464 H GLY A 52 47.363 -9.665 14.000 1.00 0.00 H ATOM 465 N ILE A 53 43.857 -10.266 12.217 1.00 4.98 N ATOM 466 CA ILE A 53 42.504 -10.392 12.743 1.00 4.99 C ATOM 467 C ILE A 53 41.790 -11.538 12.045 1.00 4.96 C ATOM 468 O ILE A 53 41.894 -11.748 10.812 1.00 4.45 O ATOM 469 CB ILE A 53 41.699 -9.052 12.650 1.00 5.02 C ATOM 470 CG1 ILE A 53 40.385 -9.168 13.420 1.00 5.22 C ATOM 471 CG2 ILE A 53 41.485 -8.627 11.186 1.00 4.95 C ATOM 472 CD1 ILE A 53 39.757 -7.829 13.709 1.00 5.39 C ATOM 473 H ILE A 53 43.992 -10.299 11.186 1.00 0.00 H ATOM 474 N ALA A 54 41.081 -12.317 12.843 1.00 5.17 N ATOM 475 CA ALA A 54 40.187 -13.316 12.320 1.00 5.43 C ATOM 476 C ALA A 54 38.802 -12.728 12.184 1.00 5.81 C ATOM 477 O ALA A 54 38.207 -12.314 13.183 1.00 5.43 O ATOM 478 CB ALA A 54 40.162 -14.517 13.255 1.00 5.53 C ATOM 479 H ALA A 54 41.171 -12.205 13.873 1.00 0.00 H ATOM 480 N TRP A 55 38.270 -12.699 10.972 1.00 6.26 N ATOM 481 CA TRP A 55 36.986 -12.029 10.722 1.00 6.82 C ATOM 482 C TRP A 55 35.828 -12.547 11.596 1.00 7.64 C ATOM 483 O TRP A 55 35.066 -11.755 12.160 1.00 8.04 O ATOM 484 CB TRP A 55 36.600 -12.148 9.224 1.00 6.67 C ATOM 485 CG TRP A 55 35.602 -11.114 8.860 1.00 6.79 C ATOM 486 CD1 TRP A 55 34.263 -11.211 8.965 1.00 6.93 C ATOM 487 CD2 TRP A 55 35.876 -9.815 8.314 1.00 7.00 C ATOM 488 NE1 TRP A 55 33.668 -10.033 8.539 1.00 7.13 N ATOM 489 CE2 TRP A 55 34.642 -9.162 8.146 1.00 7.35 C ATOM 490 CE3 TRP A 55 37.045 -9.139 7.971 1.00 7.28 C ATOM 491 CZ2 TRP A 55 34.553 -7.857 7.618 1.00 7.70 C ATOM 492 CZ3 TRP A 55 36.946 -7.852 7.460 1.00 7.67 C ATOM 493 CH2 TRP A 55 35.726 -7.240 7.288 1.00 7.78 C ATOM 494 HE1 TRP A 55 32.645 -9.844 8.522 1.00 0.00 H ATOM 495 H TRP A 55 38.769 -13.158 10.184 1.00 0.00 H ATOM 496 N SER A 56 35.682 -13.863 11.725 1.00 8.52 N ATOM 497 CA SER A 56 34.480 -14.425 12.385 1.00 9.58 C ATOM 498 C SER A 56 34.406 -14.085 13.868 1.00 9.63 C ATOM 499 O SER A 56 33.355 -13.704 14.373 1.00 10.33 O ATOM 500 CB SER A 56 34.444 -15.922 12.205 1.00 10.22 C ATOM 501 OG SER A 56 35.600 -16.531 12.729 1.00 11.75 O ATOM 502 HG SER A 56 36.398 -16.177 12.262 1.00 0.00 H ATOM 503 H SER A 56 36.417 -14.502 11.360 1.00 0.00 H ATOM 504 N SER A 57 35.549 -14.146 14.525 1.00 9.27 N ATOM 505 CA SER A 57 35.638 -14.000 15.980 1.00 9.19 C ATOM 506 C SER A 57 36.101 -12.625 16.440 1.00 9.06 C ATOM 507 O SER A 57 35.982 -12.303 17.626 1.00 9.13 O ATOM 508 CB SER A 57 36.626 -15.027 16.518 1.00 9.26 C ATOM 509 OG SER A 57 37.898 -14.838 15.933 1.00 9.45 O ATOM 510 HG SER A 57 38.528 -15.512 16.292 1.00 0.00 H ATOM 511 H SER A 57 36.424 -14.305 13.986 1.00 0.00 H ATOM 512 N SER A 58 36.690 -11.855 15.518 1.00 8.70 N ATOM 513 CA SER A 58 37.399 -10.615 15.797 1.00 8.96 C ATOM 514 C SER A 58 38.643 -10.819 16.660 1.00 8.71 C ATOM 515 O SER A 58 39.188 -9.842 17.168 1.00 9.27 O ATOM 516 CB SER A 58 36.493 -9.522 16.409 1.00 9.72 C ATOM 517 OG SER A 58 35.372 -9.300 15.563 1.00 11.67 O ATOM 518 HG SER A 58 34.795 -8.600 15.959 1.00 0.00 H ATOM 519 H SER A 58 36.637 -12.166 14.527 1.00 0.00 H ATOM 520 N ASP A 59 39.104 -12.061 16.805 1.00 8.16 N ATOM 521 CA ASP A 59 40.345 -12.342 17.514 1.00 8.15 C ATOM 522 C ASP A 59 41.510 -11.653 16.803 1.00 7.30 C ATOM 523 O ASP A 59 41.558 -11.633 15.568 1.00 7.12 O ATOM 524 CB ASP A 59 40.649 -13.829 17.543 1.00 8.68 C ATOM 525 CG ASP A 59 39.658 -14.635 18.341 1.00 9.41 C ATOM 526 OD1 ASP A 59 38.785 -14.067 19.020 1.00 9.93 O ATOM 527 OD2 ASP A 59 39.791 -15.865 18.268 1.00 10.61 O ATOM 528 H ASP A 59 38.563 -12.852 16.401 1.00 0.00 H ATOM 529 N THR A 60 42.472 -11.158 17.569 1.00 6.67 N ATOM 530 CA THR A 60 43.647 -10.480 17.021 1.00 6.34 C ATOM 531 C THR A 60 44.942 -11.072 17.636 1.00 6.40 C ATOM 532 O THR A 60 44.930 -11.639 18.738 1.00 6.61 O ATOM 533 CB THR A 60 43.617 -8.954 17.259 1.00 6.29 C ATOM 534 OG1 THR A 60 43.554 -8.720 18.679 1.00 6.30 O ATOM 535 CG2 THR A 60 42.450 -8.295 16.526 1.00 6.25 C ATOM 536 HG1 THR A 60 43.534 -7.745 18.851 1.00 0.00 H ATOM 537 H THR A 60 42.388 -11.256 18.601 1.00 0.00 H ATOM 538 N TRP A 61 46.042 -10.918 16.915 1.00 6.12 N ATOM 539 CA TRP A 61 47.359 -11.316 17.382 1.00 6.11 C ATOM 540 C TRP A 61 48.368 -10.379 16.759 1.00 6.41 C ATOM 541 O TRP A 61 48.135 -9.851 15.671 1.00 6.47 O ATOM 542 CB TRP A 61 47.639 -12.791 17.089 1.00 5.87 C ATOM 543 CG TRP A 61 47.509 -13.172 15.624 1.00 5.76 C ATOM 544 CD1 TRP A 61 48.514 -13.356 14.751 1.00 5.61 C ATOM 545 CD2 TRP A 61 46.289 -13.365 14.881 1.00 5.53 C ATOM 546 NE1 TRP A 61 48.025 -13.661 13.505 1.00 5.45 N ATOM 547 CE2 TRP A 61 46.656 -13.668 13.558 1.00 5.49 C ATOM 548 CE3 TRP A 61 44.924 -13.343 15.210 1.00 5.77 C ATOM 549 CZ2 TRP A 61 45.705 -13.912 12.560 1.00 5.60 C ATOM 550 CZ3 TRP A 61 43.996 -13.574 14.219 1.00 5.68 C ATOM 551 CH2 TRP A 61 44.389 -13.845 12.915 1.00 5.57 C ATOM 552 HE1 TRP A 61 48.599 -13.855 12.660 1.00 0.00 H ATOM 553 H TRP A 61 45.959 -10.492 15.970 1.00 0.00 H ATOM 554 N TYR A 62 49.467 -10.133 17.463 1.00 6.88 N ATOM 555 CA TYR A 62 50.410 -9.105 17.078 1.00 7.65 C ATOM 556 C TYR A 62 51.845 -9.521 17.274 1.00 8.55 C ATOM 557 O TYR A 62 52.152 -10.398 18.105 1.00 9.52 O ATOM 558 CB TYR A 62 50.188 -7.831 17.906 1.00 7.39 C ATOM 559 CG TYR A 62 48.836 -7.204 17.712 1.00 7.38 C ATOM 560 CD1 TYR A 62 48.623 -6.277 16.698 1.00 7.20 C ATOM 561 CD2 TYR A 62 47.761 -7.541 18.527 1.00 7.24 C ATOM 562 CE1 TYR A 62 47.377 -5.690 16.511 1.00 7.16 C ATOM 563 CE2 TYR A 62 46.509 -6.973 18.327 1.00 7.42 C ATOM 564 CZ TYR A 62 46.330 -6.043 17.313 1.00 7.27 C ATOM 565 OH TYR A 62 45.102 -5.455 17.136 1.00 7.37 O ATOM 566 HH TYR A 62 44.849 -4.967 17.959 1.00 0.00 H ATOM 567 H TYR A 62 49.656 -10.696 18.317 1.00 0.00 H ATOM 568 N ALA A 63 52.723 -8.853 16.536 1.00 9.03 N ATOM 569 CA ALA A 63 54.159 -8.935 16.769 1.00 10.18 C ATOM 570 C ALA A 63 54.513 -8.130 18.001 1.00 11.52 C ATOM 571 O ALA A 63 53.918 -7.077 18.269 1.00 11.82 O ATOM 572 CB ALA A 63 54.916 -8.390 15.600 1.00 10.04 C ATOM 573 H ALA A 63 52.374 -8.250 15.764 1.00 0.00 H ATOM 574 N ASP A 64 55.531 -8.614 18.708 1.00 13.36 N ATOM 575 CA ASP A 64 56.062 -7.916 19.889 1.00 14.24 C ATOM 576 C ASP A 64 56.435 -6.460 19.628 1.00 14.53 C ATOM 577 O ASP A 64 56.168 -5.614 20.471 1.00 15.51 O ATOM 578 CB ASP A 64 57.271 -8.675 20.461 1.00 15.76 C ATOM 579 CG ASP A 64 56.899 -10.023 21.057 1.00 17.77 C ATOM 580 OD1 ASP A 64 55.701 -10.303 21.245 1.00 19.75 O ATOM 581 OD2 ASP A 64 57.832 -10.799 21.370 1.00 19.68 O ATOM 582 H ASP A 64 55.965 -9.513 18.417 1.00 0.00 H ATOM 583 N SER A 65 56.993 -6.154 18.450 1.00 14.82 N ATOM 584 CA SER A 65 57.438 -4.790 18.133 1.00 15.54 C ATOM 585 C SER A 65 56.336 -3.696 18.036 1.00 14.69 C ATOM 586 O SER A 65 56.649 -2.513 18.018 1.00 14.61 O ATOM 587 CB SER A 65 58.252 -4.800 16.836 1.00 16.67 C ATOM 588 OG SER A 65 57.481 -5.209 15.723 1.00 18.95 O ATOM 589 HG SER A 65 58.046 -5.200 14.910 1.00 0.00 H ATOM 590 H SER A 65 57.115 -6.903 17.739 1.00 0.00 H ATOM 591 N VAL A 66 55.069 -4.090 17.983 1.00 14.00 N ATOM 592 CA VAL A 66 53.965 -3.143 17.815 1.00 13.84 C ATOM 593 C VAL A 66 52.877 -3.322 18.867 1.00 13.40 C ATOM 594 O VAL A 66 51.877 -2.597 18.858 1.00 12.77 O ATOM 595 CB VAL A 66 53.338 -3.301 16.406 1.00 13.98 C ATOM 596 CG1 VAL A 66 54.410 -3.031 15.343 1.00 13.88 C ATOM 597 CG2 VAL A 66 52.709 -4.684 16.239 1.00 14.61 C ATOM 598 H VAL A 66 54.854 -5.104 18.063 1.00 0.00 H ATOM 599 N LYS A 67 53.058 -4.282 19.788 1.00 14.57 N ATOM 600 CA LYS A 67 51.988 -4.620 20.747 1.00 16.52 C ATOM 601 C LYS A 67 51.564 -3.402 21.549 1.00 15.55 C ATOM 602 O LYS A 67 52.429 -2.678 22.031 1.00 16.01 O ATOM 603 CB LYS A 67 52.431 -5.740 21.704 1.00 18.57 C ATOM 604 CG LYS A 67 52.248 -7.163 21.172 1.00 20.44 C ATOM 605 CD LYS A 67 52.722 -8.256 22.145 1.00 23.08 C ATOM 606 CE LYS A 67 53.932 -7.846 22.996 1.00 25.16 C ATOM 607 NZ LYS A 67 54.576 -8.954 23.786 1.00 26.48 N ATOM 608 HZ1 LYS A 67 53.879 -9.360 24.443 1.00 0.00 H ATOM 609 HZ2 LYS A 67 54.912 -9.692 23.135 1.00 0.00 H ATOM 610 HZ3 LYS A 67 55.380 -8.572 24.324 1.00 0.00 H ATOM 611 H LYS A 67 53.963 -4.793 19.826 1.00 0.00 H ATOM 612 N GLY A 68 50.251 -3.192 21.658 1.00 14.31 N ATOM 613 CA GLY A 68 49.664 -2.048 22.351 1.00 14.35 C ATOM 614 C GLY A 68 49.638 -0.766 21.556 1.00 13.55 C ATOM 615 O GLY A 68 48.766 0.089 21.781 1.00 15.52 O ATOM 616 H GLY A 68 49.607 -3.884 21.224 1.00 0.00 H ATOM 617 N ARG A 69 50.601 -0.589 20.648 1.00 10.99 N ATOM 618 CA ARG A 69 50.682 0.645 19.853 1.00 10.20 C ATOM 619 C ARG A 69 49.845 0.591 18.600 1.00 9.66 C ATOM 620 O ARG A 69 49.315 1.613 18.175 1.00 9.78 O ATOM 621 CB ARG A 69 52.101 0.931 19.393 1.00 10.22 C ATOM 622 CG ARG A 69 52.979 1.533 20.448 1.00 10.76 C ATOM 623 CD ARG A 69 54.226 2.111 19.821 1.00 10.35 C ATOM 624 NE ARG A 69 54.960 1.104 19.057 1.00 10.63 N ATOM 625 CZ ARG A 69 55.579 1.343 17.898 1.00 11.08 C ATOM 626 NH1 ARG A 69 55.553 2.543 17.373 1.00 11.73 N ATOM 627 NH2 ARG A 69 56.235 0.369 17.284 1.00 11.62 N ATOM 628 HE ARG A 69 55.003 0.138 19.441 1.00 0.00 H ATOM 629 HH12 ARG A 69 56.036 2.726 16.470 1.00 0.00 H ATOM 630 HH11 ARG A 69 55.049 3.312 17.859 1.00 0.00 H ATOM 631 HH22 ARG A 69 56.717 0.555 16.381 1.00 0.00 H ATOM 632 HH21 ARG A 69 56.268 -0.582 17.705 1.00 0.00 H ATOM 633 H ARG A 69 51.307 -1.338 20.500 1.00 0.00 H ATOM 634 N PHE A 70 49.787 -0.594 17.983 1.00 9.43 N ATOM 635 CA PHE A 70 49.059 -0.796 16.720 1.00 9.24 C ATOM 636 C PHE A 70 47.856 -1.685 16.995 1.00 8.73 C ATOM 637 O PHE A 70 48.003 -2.669 17.666 1.00 8.23 O ATOM 638 CB PHE A 70 49.940 -1.465 15.674 1.00 10.23 C ATOM 639 CG PHE A 70 51.075 -0.601 15.158 1.00 11.20 C ATOM 640 CD1 PHE A 70 51.479 0.581 15.791 1.00 12.43 C ATOM 641 CD2 PHE A 70 51.748 -0.969 14.018 1.00 13.14 C ATOM 642 CE1 PHE A 70 52.536 1.342 15.300 1.00 13.38 C ATOM 643 CE2 PHE A 70 52.814 -0.211 13.538 1.00 13.22 C ATOM 644 CZ PHE A 70 53.198 0.937 14.167 1.00 13.55 C ATOM 645 H PHE A 70 50.276 -1.405 18.413 1.00 0.00 H ATOM 646 N THR A 71 46.688 -1.302 16.481 1.00 8.15 N ATOM 647 CA THR A 71 45.444 -2.032 16.729 1.00 8.33 C ATOM 648 C THR A 71 44.744 -2.255 15.393 1.00 7.86 C ATOM 649 O THR A 71 44.527 -1.310 14.647 1.00 7.53 O ATOM 650 CB THR A 71 44.498 -1.250 17.642 1.00 8.88 C ATOM 651 OG1 THR A 71 45.215 -0.887 18.836 1.00 9.75 O ATOM 652 CG2 THR A 71 43.236 -2.045 18.017 1.00 9.13 C ATOM 653 HG1 THR A 71 45.527 -1.707 19.294 1.00 0.00 H ATOM 654 H THR A 71 46.659 -0.453 15.881 1.00 0.00 H ATOM 655 N ILE A 72 44.430 -3.515 15.113 1.00 7.17 N ATOM 656 CA ILE A 72 43.669 -3.860 13.925 1.00 7.19 C ATOM 657 C ILE A 72 42.224 -4.111 14.323 1.00 7.36 C ATOM 658 O ILE A 72 41.956 -4.772 15.302 1.00 7.67 O ATOM 659 CB ILE A 72 44.215 -5.141 13.263 1.00 7.57 C ATOM 660 CG1 ILE A 72 45.659 -4.965 12.859 1.00 7.97 C ATOM 661 CG2 ILE A 72 43.364 -5.500 12.070 1.00 7.40 C ATOM 662 CD1 ILE A 72 46.377 -6.285 12.618 1.00 8.40 C ATOM 663 H ILE A 72 44.736 -4.271 15.759 1.00 0.00 H ATOM 664 N SER A 73 41.298 -3.546 13.562 1.00 7.12 N ATOM 665 CA SER A 73 39.866 -3.714 13.831 1.00 7.73 C ATOM 666 C SER A 73 39.082 -3.897 12.553 1.00 7.40 C ATOM 667 O SER A 73 39.488 -3.418 11.496 1.00 6.95 O ATOM 668 CB SER A 73 39.304 -2.507 14.577 1.00 7.85 C ATOM 669 OG SER A 73 39.422 -1.292 13.882 1.00 9.32 O ATOM 670 HG SER A 73 38.934 -1.356 13.023 1.00 0.00 H ATOM 671 H SER A 73 41.595 -2.967 12.751 1.00 0.00 H ATOM 672 N LYS A 74 37.956 -4.614 12.653 1.00 7.77 N ATOM 673 CA LYS A 74 37.019 -4.784 11.530 1.00 8.56 C ATOM 674 C LYS A 74 36.152 -3.551 11.393 1.00 8.22 C ATOM 675 O LYS A 74 35.640 -3.054 12.395 1.00 8.84 O ATOM 676 CB LYS A 74 36.083 -5.935 11.795 1.00 9.78 C ATOM 677 CG LYS A 74 36.701 -7.295 11.760 1.00 10.96 C ATOM 678 CD LYS A 74 35.761 -8.357 12.325 1.00 12.25 C ATOM 679 CE LYS A 74 34.370 -8.376 11.739 1.00 11.57 C ATOM 680 NZ LYS A 74 33.567 -9.464 12.429 1.00 11.09 N ATOM 681 HZ1 LYS A 74 34.028 -10.383 12.276 1.00 0.00 H ATOM 682 HZ2 LYS A 74 33.519 -9.264 13.448 1.00 0.00 H ATOM 683 HZ3 LYS A 74 32.605 -9.487 12.033 1.00 0.00 H ATOM 684 H LYS A 74 37.734 -5.070 13.561 1.00 0.00 H ATOM 685 N ASP A 75 35.952 -3.079 10.162 1.00 7.75 N ATOM 686 CA ASP A 75 35.069 -1.933 9.912 1.00 8.16 C ATOM 687 C ASP A 75 33.631 -2.293 10.216 1.00 8.83 C ATOM 688 O ASP A 75 33.145 -3.361 9.813 1.00 9.16 O ATOM 689 CB ASP A 75 35.108 -1.508 8.436 1.00 8.35 C ATOM 690 CG ASP A 75 36.453 -1.034 7.969 1.00 8.68 C ATOM 691 OD1 ASP A 75 37.423 -0.922 8.753 1.00 9.49 O ATOM 692 OD2 ASP A 75 36.552 -0.822 6.748 1.00 8.91 O ATOM 693 H ASP A 75 36.433 -3.534 9.360 1.00 0.00 H ATOM 694 N ASP A 76 32.958 -1.406 10.936 1.00 9.80 N ATOM 695 CA ASP A 76 31.541 -1.588 11.272 1.00 11.31 C ATOM 696 C ASP A 76 30.626 -1.373 10.053 1.00 9.93 C ATOM 697 O ASP A 76 29.500 -1.917 10.004 1.00 9.34 O ATOM 698 CB ASP A 76 31.115 -0.567 12.352 1.00 14.22 C ATOM 699 CG ASP A 76 31.676 -0.878 13.707 1.00 18.75 C ATOM 700 OD1 ASP A 76 32.255 -1.985 13.888 1.00 24.04 O ATOM 701 OD2 ASP A 76 31.513 -0.016 14.608 1.00 25.13 O ATOM 702 H ASP A 76 33.450 -0.554 11.273 1.00 0.00 H ATOM 703 N ALA A 77 31.068 -0.531 9.117 1.00 8.38 N ATOM 704 CA ALA A 77 30.231 -0.147 7.975 1.00 7.58 C ATOM 705 C ALA A 77 30.994 -0.116 6.656 1.00 6.90 C ATOM 706 O ALA A 77 30.770 0.742 5.823 1.00 6.78 O ATOM 707 CB ALA A 77 29.599 1.217 8.224 1.00 7.69 C ATOM 708 H ALA A 77 32.027 -0.138 9.199 1.00 0.00 H ATOM 709 N ALA A 78 31.937 -1.026 6.487 1.00 6.23 N ATOM 710 CA ALA A 78 32.531 -1.316 5.210 1.00 5.72 C ATOM 711 C ALA A 78 33.095 -2.740 5.257 1.00 5.56 C ATOM 712 O ALA A 78 33.183 -3.343 6.330 1.00 5.31 O ATOM 713 CB ALA A 78 33.636 -0.322 4.907 1.00 5.84 C ATOM 714 H ALA A 78 32.266 -1.558 7.318 1.00 0.00 H ATOM 715 N ASN A 79 33.502 -3.227 4.089 1.00 5.47 N ATOM 716 CA ASN A 79 34.095 -4.551 3.972 1.00 5.58 C ATOM 717 C ASN A 79 35.599 -4.402 4.021 1.00 5.56 C ATOM 718 O ASN A 79 36.257 -4.581 3.026 1.00 6.36 O ATOM 719 CB ASN A 79 33.625 -5.214 2.679 1.00 5.59 C ATOM 720 CG ASN A 79 34.125 -6.645 2.523 1.00 5.52 C ATOM 721 OD1 ASN A 79 33.918 -7.489 3.392 1.00 6.00 O ATOM 722 ND2 ASN A 79 34.761 -6.926 1.383 1.00 5.32 N ATOM 723 HD22 ASN A 79 34.914 -6.179 0.675 1.00 0.00 H ATOM 724 HD21 ASN A 79 35.103 -7.891 1.203 1.00 0.00 H ATOM 725 H ASN A 79 33.394 -2.645 3.234 1.00 0.00 H ATOM 726 N GLY A 80 36.120 -4.063 5.188 1.00 5.53 N ATOM 727 CA GLY A 80 37.522 -3.736 5.332 1.00 5.27 C ATOM 728 C GLY A 80 37.931 -3.731 6.786 1.00 5.22 C ATOM 729 O GLY A 80 37.123 -4.013 7.671 1.00 5.34 O ATOM 730 H GLY A 80 35.505 -4.031 6.026 1.00 0.00 H ATOM 731 N VAL A 81 39.211 -3.417 6.997 1.00 5.42 N ATOM 732 CA VAL A 81 39.767 -3.282 8.326 1.00 5.59 C ATOM 733 C VAL A 81 40.505 -1.973 8.415 1.00 6.11 C ATOM 734 O VAL A 81 40.823 -1.351 7.405 1.00 6.37 O ATOM 735 CB VAL A 81 40.722 -4.445 8.674 1.00 5.56 C ATOM 736 CG1 VAL A 81 39.997 -5.787 8.571 1.00 5.40 C ATOM 737 CG2 VAL A 81 41.961 -4.448 7.798 1.00 5.60 C ATOM 738 H VAL A 81 39.831 -3.264 6.176 1.00 0.00 H ATOM 739 N HIS A 82 40.792 -1.568 9.645 1.00 6.62 N ATOM 740 CA HIS A 82 41.714 -0.476 9.890 1.00 7.38 C ATOM 741 C HIS A 82 42.922 -0.956 10.661 1.00 7.06 C ATOM 742 O HIS A 82 42.808 -1.844 11.527 1.00 6.43 O ATOM 743 CB HIS A 82 41.039 0.653 10.670 1.00 8.66 C ATOM 744 CG HIS A 82 40.002 1.394 9.881 1.00 10.18 C ATOM 745 ND1 HIS A 82 38.664 1.381 10.209 1.00 12.09 N ATOM 746 CD2 HIS A 82 40.106 2.149 8.766 1.00 11.38 C ATOM 747 CE1 HIS A 82 37.992 2.129 9.349 1.00 12.14 C ATOM 748 NE2 HIS A 82 38.836 2.582 8.445 1.00 12.08 N ATOM 749 H HIS A 82 40.345 -2.045 10.454 1.00 0.00 H ATOM 750 N LEU A 83 44.064 -0.311 10.389 1.00 6.71 N ATOM 751 CA LEU A 83 45.238 -0.419 11.226 1.00 7.25 C ATOM 752 C LEU A 83 45.461 0.941 11.861 1.00 7.15 C ATOM 753 O LEU A 83 45.877 1.893 11.196 1.00 6.98 O ATOM 754 CB LEU A 83 46.481 -0.867 10.451 1.00 7.48 C ATOM 755 CG LEU A 83 47.796 -0.989 11.225 1.00 7.91 C ATOM 756 CD1 LEU A 83 47.686 -2.140 12.204 1.00 7.90 C ATOM 757 CD2 LEU A 83 48.999 -1.148 10.296 1.00 8.39 C ATOM 758 H LEU A 83 44.108 0.291 9.542 1.00 0.00 H ATOM 759 N GLN A 84 45.211 1.025 13.166 1.00 7.87 N ATOM 760 CA GLN A 84 45.483 2.256 13.904 1.00 9.56 C ATOM 761 C GLN A 84 46.907 2.167 14.399 1.00 9.67 C ATOM 762 O GLN A 84 47.234 1.284 15.190 1.00 9.14 O ATOM 763 CB GLN A 84 44.519 2.409 15.096 1.00 11.55 C ATOM 764 CG GLN A 84 44.730 3.696 15.879 1.00 14.26 C ATOM 765 CD GLN A 84 44.276 4.947 15.118 1.00 16.93 C ATOM 766 OE1 GLN A 84 43.067 5.160 14.873 1.00 22.32 O ATOM 767 NE2 GLN A 84 45.236 5.802 14.763 1.00 20.37 N ATOM 768 HE22 GLN A 84 46.230 5.589 14.984 1.00 0.00 H ATOM 769 HE21 GLN A 84 44.991 6.681 14.265 1.00 0.00 H ATOM 770 H GLN A 84 44.817 0.203 13.667 1.00 0.00 H ATOM 771 N MET A 85 47.752 3.100 13.977 1.00 10.32 N ATOM 772 CA MET A 85 49.176 3.083 14.328 1.00 11.93 C ATOM 773 C MET A 85 49.424 4.261 15.239 1.00 12.69 C ATOM 774 O MET A 85 49.318 5.405 14.804 1.00 15.20 O ATOM 775 CB MET A 85 50.031 3.230 13.060 1.00 13.59 C ATOM 776 CG MET A 85 49.671 2.294 11.923 1.00 14.80 C ATOM 777 SD MET A 85 50.333 2.733 10.250 1.00 17.79 S ATOM 778 CE MET A 85 52.044 3.086 10.575 1.00 18.12 C ATOM 779 H MET A 85 47.392 3.869 13.377 1.00 0.00 H ATOM 780 N SER A 86 49.691 4.003 16.513 1.00 12.03 N ATOM 781 CA SER A 86 49.907 5.100 17.476 1.00 12.02 C ATOM 782 C SER A 86 51.368 5.185 17.895 1.00 10.79 C ATOM 783 O SER A 86 52.122 4.249 17.732 1.00 9.99 O ATOM 784 CB SER A 86 49.027 4.872 18.702 1.00 13.25 C ATOM 785 OG SER A 86 47.668 5.069 18.340 1.00 17.12 O ATOM 786 HG SER A 86 47.547 5.994 18.009 1.00 0.00 H ATOM 787 H SER A 86 49.749 3.016 16.836 1.00 0.00 H ATOM 788 N SER A 87 51.740 6.319 18.469 1.00 10.22 N ATOM 789 CA SER A 87 53.066 6.555 19.041 1.00 10.53 C ATOM 790 C SER A 87 54.178 6.128 18.111 1.00 9.69 C ATOM 791 O SER A 87 55.051 5.326 18.480 1.00 9.65 O ATOM 792 CB SER A 87 53.193 5.875 20.385 1.00 11.40 C ATOM 793 OG SER A 87 52.105 6.252 21.224 1.00 12.84 O ATOM 794 HG SER A 87 52.195 5.803 22.102 1.00 0.00 H ATOM 795 H SER A 87 51.045 7.091 18.516 1.00 0.00 H ATOM 796 N LEU A 88 54.128 6.685 16.902 1.00 9.42 N ATOM 797 CA LEU A 88 55.044 6.266 15.850 1.00 9.61 C ATOM 798 C LEU A 88 56.429 6.823 16.123 1.00 10.08 C ATOM 799 O LEU A 88 56.594 7.905 16.743 1.00 10.50 O ATOM 800 CB LEU A 88 54.517 6.663 14.478 1.00 9.69 C ATOM 801 CG LEU A 88 53.341 5.836 13.952 1.00 9.79 C ATOM 802 CD1 LEU A 88 52.666 6.521 12.763 1.00 10.06 C ATOM 803 CD2 LEU A 88 53.784 4.413 13.606 1.00 9.80 C ATOM 804 H LEU A 88 53.427 7.428 16.707 1.00 0.00 H ATOM 805 N LYS A 89 57.426 6.046 15.721 1.00 10.35 N ATOM 806 CA LYS A 89 58.821 6.425 15.886 1.00 11.14 C ATOM 807 C LYS A 89 59.527 6.220 14.549 1.00 9.85 C ATOM 808 O LYS A 89 59.022 5.504 13.685 1.00 8.64 O ATOM 809 CB LYS A 89 59.491 5.621 16.996 1.00 13.60 C ATOM 810 CG LYS A 89 59.392 4.128 16.853 1.00 16.49 C ATOM 811 CD LYS A 89 59.819 3.405 18.121 1.00 19.96 C ATOM 812 CE LYS A 89 59.414 1.936 18.082 1.00 21.93 C ATOM 813 NZ LYS A 89 59.644 1.240 19.387 1.00 22.94 N ATOM 814 HZ1 LYS A 89 60.654 1.287 19.630 1.00 0.00 H ATOM 815 HZ2 LYS A 89 59.085 1.706 20.130 1.00 0.00 H ATOM 816 HZ3 LYS A 89 59.352 0.245 19.304 1.00 0.00 H ATOM 817 H LYS A 89 57.203 5.135 15.272 1.00 0.00 H ATOM 818 N PRO A 90 60.685 6.855 14.363 1.00 9.41 N ATOM 819 CA PRO A 90 61.417 6.702 13.095 1.00 9.00 C ATOM 820 C PRO A 90 61.643 5.240 12.658 1.00 9.29 C ATOM 821 O PRO A 90 61.624 4.949 11.448 1.00 8.80 O ATOM 822 CB PRO A 90 62.743 7.423 13.395 1.00 9.41 C ATOM 823 CG PRO A 90 62.326 8.498 14.356 1.00 9.55 C ATOM 824 CD PRO A 90 61.350 7.815 15.261 1.00 9.66 C ATOM 825 N GLU A 91 61.854 4.330 13.608 1.00 9.82 N ATOM 826 CA GLU A 91 62.079 2.926 13.301 1.00 11.29 C ATOM 827 C GLU A 91 60.855 2.255 12.667 1.00 9.39 C ATOM 828 O GLU A 91 60.952 1.132 12.182 1.00 8.88 O ATOM 829 CB GLU A 91 62.461 2.187 14.597 1.00 14.84 C ATOM 830 CG GLU A 91 62.622 0.677 14.527 1.00 20.44 C ATOM 831 CD GLU A 91 63.148 0.099 15.852 1.00 24.39 C ATOM 832 OE1 GLU A 91 62.864 0.726 16.925 1.00 28.63 O ATOM 833 OE2 GLU A 91 63.821 -0.981 15.822 1.00 29.60 O ATOM 834 H GLU A 91 61.858 4.634 14.603 1.00 0.00 H ATOM 835 N ASP A 92 59.680 2.896 12.736 1.00 7.58 N ATOM 836 CA ASP A 92 58.471 2.356 12.120 1.00 7.40 C ATOM 837 C ASP A 92 58.327 2.705 10.630 1.00 6.49 C ATOM 838 O ASP A 92 57.385 2.280 9.998 1.00 6.31 O ATOM 839 CB ASP A 92 57.225 2.866 12.857 1.00 7.26 C ATOM 840 CG ASP A 92 57.181 2.426 14.300 1.00 7.77 C ATOM 841 OD1 ASP A 92 57.382 1.229 14.623 1.00 7.53 O ATOM 842 OD2 ASP A 92 56.893 3.319 15.118 1.00 8.91 O ATOM 843 H ASP A 92 59.628 3.803 13.242 1.00 0.00 H ATOM 844 N THR A 93 59.274 3.455 10.088 1.00 5.73 N ATOM 845 CA THR A 93 59.333 3.752 8.670 1.00 5.53 C ATOM 846 C THR A 93 59.358 2.455 7.848 1.00 5.20 C ATOM 847 O THR A 93 60.229 1.593 8.058 1.00 4.82 O ATOM 848 CB THR A 93 60.579 4.578 8.358 1.00 5.63 C ATOM 849 OG1 THR A 93 60.422 5.864 8.937 1.00 5.97 O ATOM 850 CG2 THR A 93 60.777 4.725 6.855 1.00 5.81 C ATOM 851 HG1 THR A 93 60.313 5.772 9.917 1.00 0.00 H ATOM 852 H THR A 93 60.010 3.849 10.708 1.00 0.00 H ATOM 853 N ALA A 94 58.400 2.299 6.948 1.00 5.00 N ATOM 854 CA ALA A 94 58.264 1.058 6.196 1.00 4.96 C ATOM 855 C ALA A 94 57.202 1.186 5.147 1.00 4.73 C ATOM 856 O ALA A 94 56.417 2.146 5.174 1.00 4.31 O ATOM 857 CB ALA A 94 57.872 -0.071 7.140 1.00 5.12 C ATOM 858 H ALA A 94 57.732 3.077 6.774 1.00 0.00 H ATOM 859 N VAL A 95 57.120 0.194 4.272 1.00 4.89 N ATOM 860 CA VAL A 95 55.894 0.007 3.481 1.00 4.87 C ATOM 861 C VAL A 95 54.982 -0.972 4.216 1.00 5.03 C ATOM 862 O VAL A 95 55.413 -2.131 4.455 1.00 5.27 O ATOM 863 CB VAL A 95 56.159 -0.522 2.054 1.00 4.96 C ATOM 864 CG1 VAL A 95 54.840 -0.670 1.307 1.00 4.86 C ATOM 865 CG2 VAL A 95 57.106 0.440 1.339 1.00 4.83 C ATOM 866 H VAL A 95 57.924 -0.453 4.144 1.00 0.00 H ATOM 867 N TYR A 96 53.785 -0.515 4.600 1.00 5.15 N ATOM 868 CA TYR A 96 52.806 -1.348 5.296 1.00 5.21 C ATOM 869 C TYR A 96 51.935 -2.023 4.274 1.00 5.35 C ATOM 870 O TYR A 96 51.415 -1.377 3.357 1.00 5.69 O ATOM 871 CB TYR A 96 51.976 -0.496 6.283 1.00 5.27 C ATOM 872 CG TYR A 96 52.854 -0.089 7.452 1.00 5.18 C ATOM 873 CD1 TYR A 96 53.815 0.926 7.346 1.00 5.23 C ATOM 874 CD2 TYR A 96 52.763 -0.760 8.657 1.00 5.26 C ATOM 875 CE1 TYR A 96 54.638 1.244 8.402 1.00 5.22 C ATOM 876 CE2 TYR A 96 53.575 -0.464 9.714 1.00 5.35 C ATOM 877 CZ TYR A 96 54.529 0.531 9.611 1.00 5.29 C ATOM 878 OH TYR A 96 55.357 0.807 10.683 1.00 5.86 O ATOM 879 HH TYR A 96 55.975 1.541 10.440 1.00 0.00 H ATOM 880 H TYR A 96 53.541 0.475 4.395 1.00 0.00 H ATOM 881 N TYR A 97 51.800 -3.343 4.417 1.00 5.53 N ATOM 882 CA TYR A 97 50.998 -4.161 3.496 1.00 5.52 C ATOM 883 C TYR A 97 49.847 -4.825 4.218 1.00 5.60 C ATOM 884 O TYR A 97 50.069 -5.422 5.282 1.00 5.52 O ATOM 885 CB TYR A 97 51.821 -5.301 2.902 1.00 5.74 C ATOM 886 CG TYR A 97 52.822 -4.824 1.885 1.00 5.79 C ATOM 887 CD1 TYR A 97 52.441 -4.639 0.567 1.00 6.05 C ATOM 888 CD2 TYR A 97 54.140 -4.565 2.229 1.00 5.76 C ATOM 889 CE1 TYR A 97 53.326 -4.190 -0.378 1.00 6.10 C ATOM 890 CE2 TYR A 97 55.038 -4.139 1.271 1.00 5.86 C ATOM 891 CZ TYR A 97 54.621 -3.926 -0.026 1.00 5.95 C ATOM 892 OH TYR A 97 55.474 -3.497 -1.027 1.00 6.46 O ATOM 893 HH TYR A 97 55.857 -2.619 -0.778 1.00 0.00 H ATOM 894 H TYR A 97 52.281 -3.811 5.211 1.00 0.00 H ATOM 895 N CYS A 98 48.677 -4.747 3.598 1.00 6.00 N ATOM 896 CA CYS A 98 47.527 -5.549 3.977 1.00 6.62 C ATOM 897 C CYS A 98 47.619 -6.860 3.212 1.00 5.71 C ATOM 898 O CYS A 98 48.006 -6.872 2.047 1.00 5.23 O ATOM 899 CB CYS A 98 46.253 -4.789 3.604 1.00 8.22 C ATOM 900 SG CYS A 98 44.731 -5.613 4.017 1.00 11.60 S ATOM 901 H CYS A 98 48.579 -4.082 2.805 1.00 0.00 H ATOM 902 N ALA A 99 47.242 -7.956 3.852 1.00 5.23 N ATOM 903 CA ALA A 99 47.201 -9.262 3.222 1.00 4.92 C ATOM 904 C ALA A 99 46.011 -10.049 3.768 1.00 4.86 C ATOM 905 O ALA A 99 45.517 -9.777 4.857 1.00 4.78 O ATOM 906 CB ALA A 99 48.506 -10.006 3.460 1.00 4.88 C ATOM 907 H ALA A 99 46.963 -7.877 4.851 1.00 0.00 H ATOM 908 N SER A 100 45.567 -11.042 3.018 1.00 4.98 N ATOM 909 CA SER A 100 44.457 -11.858 3.459 1.00 5.04 C ATOM 910 C SER A 100 44.646 -13.351 3.161 1.00 4.98 C ATOM 911 O SER A 100 45.382 -13.721 2.256 1.00 4.76 O ATOM 912 CB SER A 100 43.158 -11.367 2.836 1.00 5.23 C ATOM 913 OG SER A 100 42.087 -11.877 3.582 1.00 5.67 O ATOM 914 HG SER A 100 42.117 -12.866 3.567 1.00 0.00 H ATOM 915 H SER A 100 46.020 -11.239 2.103 1.00 0.00 H ATOM 916 N ALA A 101 43.969 -14.181 3.948 1.00 4.99 N ATOM 917 CA ALA A 101 44.042 -15.627 3.836 1.00 5.15 C ATOM 918 C ALA A 101 42.688 -16.177 4.215 1.00 5.74 C ATOM 919 O ALA A 101 41.832 -15.460 4.712 1.00 5.50 O ATOM 920 CB ALA A 101 45.098 -16.187 4.754 1.00 5.31 C ATOM 921 H ALA A 101 43.355 -13.774 4.682 1.00 0.00 H ATOM 922 N LEU A 102 42.496 -17.450 3.910 1.00 6.25 N ATOM 923 CA LEU A 102 41.329 -18.199 4.332 1.00 6.92 C ATOM 924 C LEU A 102 41.826 -19.317 5.209 1.00 6.94 C ATOM 925 O LEU A 102 42.599 -20.175 4.767 1.00 7.40 O ATOM 926 CB LEU A 102 40.594 -18.775 3.113 1.00 7.55 C ATOM 927 CG LEU A 102 39.942 -17.793 2.123 1.00 8.46 C ATOM 928 CD1 LEU A 102 39.185 -18.510 1.004 1.00 9.58 C ATOM 929 CD2 LEU A 102 38.992 -16.837 2.832 1.00 9.14 C ATOM 930 H LEU A 102 43.217 -17.937 3.340 1.00 0.00 H ATOM 931 N ARG A 103 41.389 -19.317 6.461 1.00 6.74 N ATOM 932 CA ARG A 103 41.931 -20.233 7.456 1.00 7.12 C ATOM 933 C ARG A 103 41.652 -21.703 7.116 1.00 6.75 C ATOM 934 O ARG A 103 40.513 -22.073 6.776 1.00 6.89 O ATOM 935 CB ARG A 103 41.344 -19.925 8.815 1.00 7.79 C ATOM 936 CG ARG A 103 42.070 -20.665 9.912 1.00 8.41 C ATOM 937 CD ARG A 103 41.506 -20.313 11.278 1.00 8.93 C ATOM 938 NE ARG A 103 40.185 -20.848 11.555 1.00 10.32 N ATOM 939 CZ ARG A 103 39.909 -22.055 12.036 1.00 10.60 C ATOM 940 NH1 ARG A 103 40.862 -22.937 12.268 1.00 10.56 N ATOM 941 NH2 ARG A 103 38.652 -22.376 12.310 1.00 11.88 N ATOM 942 HE ARG A 103 39.376 -20.225 11.358 1.00 0.00 H ATOM 943 HH12 ARG A 103 40.621 -23.876 12.645 1.00 0.00 H ATOM 944 HH11 ARG A 103 41.854 -22.694 12.074 1.00 0.00 H ATOM 945 HH22 ARG A 103 38.426 -23.319 12.687 1.00 0.00 H ATOM 946 HH21 ARG A 103 37.892 -21.685 12.148 1.00 0.00 H ATOM 947 H ARG A 103 40.643 -18.648 6.739 1.00 0.00 H ATOM 948 N ARG A 104 42.702 -22.510 7.176 1.00 6.26 N ATOM 949 CA ARG A 104 42.595 -23.953 6.982 1.00 6.45 C ATOM 950 C ARG A 104 42.004 -24.531 8.256 1.00 6.36 C ATOM 951 O ARG A 104 42.497 -24.258 9.332 1.00 6.27 O ATOM 952 CB ARG A 104 43.978 -24.561 6.726 1.00 6.70 C ATOM 953 CG ARG A 104 43.965 -26.071 6.633 1.00 7.15 C ATOM 954 CD ARG A 104 45.359 -26.594 6.419 1.00 7.57 C ATOM 955 NE ARG A 104 45.761 -26.534 5.015 1.00 7.89 N ATOM 956 CZ ARG A 104 47.002 -26.584 4.551 1.00 8.92 C ATOM 957 NH1 ARG A 104 48.039 -26.551 5.357 1.00 10.15 N ATOM 958 NH2 ARG A 104 47.204 -26.609 3.231 1.00 9.55 N ATOM 959 HE ARG A 104 45.000 -26.443 4.312 1.00 0.00 H ATOM 960 HH12 ARG A 104 49.002 -26.592 4.967 1.00 0.00 H ATOM 961 HH11 ARG A 104 47.897 -26.484 6.385 1.00 0.00 H ATOM 962 HH22 ARG A 104 48.172 -26.648 2.854 1.00 0.00 H ATOM 963 HH21 ARG A 104 46.393 -26.589 2.580 1.00 0.00 H ATOM 964 H ARG A 104 43.638 -22.099 7.369 1.00 0.00 H ATOM 965 N PRO A 105 40.968 -25.386 8.138 1.00 6.48 N ATOM 966 CA PRO A 105 40.452 -26.097 9.335 1.00 6.69 C ATOM 967 C PRO A 105 41.574 -26.830 10.088 1.00 7.23 C ATOM 968 O PRO A 105 42.388 -27.470 9.458 1.00 7.43 O ATOM 969 CB PRO A 105 39.442 -27.079 8.743 1.00 6.66 C ATOM 970 CG PRO A 105 38.985 -26.395 7.476 1.00 6.59 C ATOM 971 CD PRO A 105 40.224 -25.722 6.925 1.00 6.74 C ATOM 972 N GLY A 106 41.619 -26.685 11.415 1.00 7.67 N ATOM 973 CA GLY A 106 42.677 -27.285 12.230 1.00 8.01 C ATOM 974 C GLY A 106 43.899 -26.413 12.451 1.00 8.48 C ATOM 975 O GLY A 106 44.776 -26.770 13.243 1.00 9.98 O ATOM 976 H GLY A 106 40.878 -26.127 11.885 1.00 0.00 H ATOM 977 N SER A 107 43.958 -25.274 11.751 1.00 8.64 N ATOM 978 CA SER A 107 45.055 -24.345 11.887 1.00 8.93 C ATOM 979 C SER A 107 44.552 -23.109 12.590 1.00 8.87 C ATOM 980 O SER A 107 43.643 -22.438 12.097 1.00 9.64 O ATOM 981 CB SER A 107 45.596 -23.959 10.519 1.00 9.31 C ATOM 982 OG SER A 107 46.199 -25.088 9.910 1.00 9.88 O ATOM 983 HG SER A 107 45.525 -25.806 9.807 1.00 0.00 H ATOM 984 H SER A 107 43.189 -25.051 11.088 1.00 0.00 H ATOM 985 N ASP A 108 45.127 -22.822 13.745 1.00 8.80 N ATOM 986 CA ASP A 108 44.729 -21.638 14.495 1.00 9.00 C ATOM 987 C ASP A 108 45.009 -20.390 13.668 1.00 8.39 C ATOM 988 O ASP A 108 46.071 -20.262 13.041 1.00 7.69 O ATOM 989 CB ASP A 108 45.499 -21.510 15.804 1.00 10.08 C ATOM 990 CG ASP A 108 45.146 -22.589 16.836 1.00 11.41 C ATOM 991 OD1 ASP A 108 44.023 -23.153 16.820 1.00 13.28 O ATOM 992 OD2 ASP A 108 46.018 -22.818 17.696 1.00 13.43 O ATOM 993 H ASP A 108 45.869 -23.446 14.121 1.00 0.00 H ATOM 994 N ALA A 109 44.084 -19.454 13.707 1.00 7.96 N ATOM 995 CA ALA A 109 44.258 -18.174 13.025 1.00 7.91 C ATOM 996 C ALA A 109 45.542 -17.484 13.451 1.00 7.76 C ATOM 997 O ALA A 109 46.242 -16.953 12.622 1.00 7.18 O ATOM 998 CB ALA A 109 43.066 -17.249 13.259 1.00 8.16 C ATOM 999 H ALA A 109 43.207 -19.630 14.237 1.00 0.00 H ATOM 1000 N SER A 110 45.838 -17.505 14.747 1.00 7.61 N ATOM 1001 CA SER A 110 47.048 -16.866 15.252 1.00 7.84 C ATOM 1002 C SER A 110 48.364 -17.526 14.806 1.00 8.18 C ATOM 1003 O SER A 110 49.437 -17.007 15.101 1.00 8.09 O ATOM 1004 CB SER A 110 46.978 -16.773 16.772 1.00 8.11 C ATOM 1005 OG SER A 110 46.920 -18.083 17.320 1.00 8.85 O ATOM 1006 HG SER A 110 46.115 -18.547 16.978 1.00 0.00 H ATOM 1007 H SER A 110 45.197 -17.984 15.411 1.00 0.00 H ATOM 1008 N ASP A 111 48.287 -18.658 14.111 1.00 7.97 N ATOM 1009 CA ASP A 111 49.458 -19.211 13.427 1.00 8.46 C ATOM 1010 C ASP A 111 49.792 -18.479 12.122 1.00 7.29 C ATOM 1011 O ASP A 111 50.881 -18.678 11.565 1.00 7.22 O ATOM 1012 CB ASP A 111 49.256 -20.680 13.033 1.00 9.95 C ATOM 1013 CG ASP A 111 49.056 -21.606 14.217 1.00 11.72 C ATOM 1014 OD1 ASP A 111 49.292 -21.174 15.354 1.00 15.13 O ATOM 1015 OD2 ASP A 111 48.667 -22.775 13.977 1.00 15.29 O ATOM 1016 H ASP A 111 47.378 -19.160 14.052 1.00 0.00 H ATOM 1017 N TYR A 112 48.864 -17.656 11.616 1.00 6.53 N ATOM 1018 CA TYR A 112 49.063 -16.963 10.337 1.00 6.22 C ATOM 1019 C TYR A 112 49.923 -15.723 10.578 1.00 5.94 C ATOM 1020 O TYR A 112 49.409 -14.619 10.693 1.00 6.20 O ATOM 1021 CB TYR A 112 47.714 -16.622 9.678 1.00 6.13 C ATOM 1022 CG TYR A 112 47.052 -17.857 9.033 1.00 6.05 C ATOM 1023 CD1 TYR A 112 46.543 -18.878 9.824 1.00 6.10 C ATOM 1024 CD2 TYR A 112 46.966 -18.004 7.647 1.00 6.02 C ATOM 1025 CE1 TYR A 112 45.969 -20.004 9.266 1.00 5.94 C ATOM 1026 CE2 TYR A 112 46.408 -19.153 7.069 1.00 6.24 C ATOM 1027 CZ TYR A 112 45.912 -20.148 7.905 1.00 6.00 C ATOM 1028 OH TYR A 112 45.345 -21.315 7.398 1.00 6.58 O ATOM 1029 HH TYR A 112 46.016 -21.796 6.851 1.00 0.00 H ATOM 1030 H TYR A 112 47.980 -17.504 12.143 1.00 0.00 H ATOM 1031 N THR A 113 51.237 -15.931 10.635 1.00 6.04 N ATOM 1032 CA THR A 113 52.168 -14.855 10.920 1.00 6.39 C ATOM 1033 C THR A 113 53.323 -14.746 9.925 1.00 6.77 C ATOM 1034 O THR A 113 54.192 -13.928 10.114 1.00 6.73 O ATOM 1035 CB THR A 113 52.772 -14.991 12.333 1.00 6.47 C ATOM 1036 OG1 THR A 113 53.432 -16.251 12.442 1.00 6.97 O ATOM 1037 CG2 THR A 113 51.717 -14.925 13.382 1.00 6.76 C ATOM 1038 HG1 THR A 113 53.821 -16.341 13.348 1.00 0.00 H ATOM 1039 H THR A 113 51.606 -16.890 10.471 1.00 0.00 H ATOM 1040 N ARG A 114 53.336 -15.560 8.884 1.00 7.11 N ATOM 1041 CA ARG A 114 54.434 -15.611 7.915 1.00 7.67 C ATOM 1042 C ARG A 114 53.942 -15.217 6.542 1.00 6.98 C ATOM 1043 O ARG A 114 52.771 -15.468 6.200 1.00 6.18 O ATOM 1044 CB ARG A 114 55.026 -17.043 7.842 1.00 9.23 C ATOM 1045 CG ARG A 114 55.459 -17.610 9.174 1.00 11.22 C ATOM 1046 CD ARG A 114 56.611 -16.848 9.747 1.00 13.42 C ATOM 1047 NE ARG A 114 57.877 -17.136 9.090 1.00 16.82 N ATOM 1048 CZ ARG A 114 58.982 -16.410 9.286 1.00 20.57 C ATOM 1049 NH1 ARG A 114 58.964 -15.354 10.127 1.00 22.81 N ATOM 1050 NH2 ARG A 114 60.099 -16.729 8.645 1.00 22.95 N ATOM 1051 HE ARG A 114 57.924 -17.944 8.437 1.00 0.00 H ATOM 1052 HH12 ARG A 114 59.827 -14.793 10.276 1.00 0.00 H ATOM 1053 HH11 ARG A 114 58.087 -15.102 10.626 1.00 0.00 H ATOM 1054 HH22 ARG A 114 60.962 -16.168 8.793 1.00 0.00 H ATOM 1055 HH21 ARG A 114 60.112 -17.540 7.994 1.00 0.00 H ATOM 1056 H ARG A 114 52.526 -16.197 8.745 1.00 0.00 H ATOM 1057 N ILE A 115 54.816 -14.598 5.749 1.00 6.28 N ATOM 1058 CA ILE A 115 54.434 -14.117 4.395 1.00 6.32 C ATOM 1059 C ILE A 115 53.674 -15.183 3.578 1.00 6.10 C ATOM 1060 O ILE A 115 52.596 -14.914 3.094 1.00 5.81 O ATOM 1061 CB ILE A 115 55.665 -13.595 3.620 1.00 6.31 C ATOM 1062 CG1 ILE A 115 56.277 -12.357 4.297 1.00 6.35 C ATOM 1063 CG2 ILE A 115 55.272 -13.206 2.204 1.00 6.40 C ATOM 1064 CD1 ILE A 115 57.707 -12.145 3.897 1.00 6.49 C ATOM 1065 H ILE A 115 55.789 -14.448 6.085 1.00 0.00 H ATOM 1066 N PRO A 116 54.198 -16.427 3.492 1.00 6.19 N ATOM 1067 CA PRO A 116 53.496 -17.379 2.601 1.00 6.39 C ATOM 1068 C PRO A 116 52.168 -17.886 3.152 1.00 6.26 C ATOM 1069 O PRO A 116 51.435 -18.567 2.436 1.00 6.73 O ATOM 1070 CB PRO A 116 54.479 -18.527 2.475 1.00 6.52 C ATOM 1071 CG PRO A 116 55.770 -17.943 2.830 1.00 6.77 C ATOM 1072 CD PRO A 116 55.507 -16.942 3.887 1.00 6.52 C ATOM 1073 N ASP A 117 51.838 -17.570 4.397 1.00 5.67 N ATOM 1074 CA ASP A 117 50.512 -17.926 4.904 1.00 5.54 C ATOM 1075 C ASP A 117 49.380 -17.118 4.251 1.00 5.19 C ATOM 1076 O ASP A 117 48.228 -17.479 4.367 1.00 4.91 O ATOM 1077 CB ASP A 117 50.441 -17.770 6.410 1.00 5.94 C ATOM 1078 CG ASP A 117 51.451 -18.604 7.141 1.00 6.48 C ATOM 1079 OD1 ASP A 117 51.904 -19.659 6.570 1.00 7.10 O ATOM 1080 OD2 ASP A 117 51.792 -18.228 8.279 1.00 6.49 O ATOM 1081 H ASP A 117 52.517 -17.073 5.009 1.00 0.00 H ATOM 1082 N TYR A 118 49.719 -16.021 3.574 1.00 4.67 N ATOM 1083 CA TYR A 118 48.736 -15.110 3.010 1.00 4.45 C ATOM 1084 C TYR A 118 48.867 -15.080 1.495 1.00 4.51 C ATOM 1085 O TYR A 118 49.867 -14.611 0.963 1.00 4.72 O ATOM 1086 CB TYR A 118 49.008 -13.718 3.579 1.00 4.19 C ATOM 1087 CG TYR A 118 48.679 -13.572 5.036 1.00 4.08 C ATOM 1088 CD1 TYR A 118 49.590 -13.975 5.995 1.00 3.95 C ATOM 1089 CD2 TYR A 118 47.469 -13.008 5.459 1.00 4.08 C ATOM 1090 CE1 TYR A 118 49.319 -13.825 7.361 1.00 3.99 C ATOM 1091 CE2 TYR A 118 47.177 -12.857 6.817 1.00 4.00 C ATOM 1092 CZ TYR A 118 48.094 -13.254 7.761 1.00 3.99 C ATOM 1093 OH TYR A 118 47.754 -13.094 9.101 1.00 4.10 O ATOM 1094 HH TYR A 118 48.497 -13.417 9.670 1.00 0.00 H ATOM 1095 H TYR A 118 50.729 -15.808 3.444 1.00 0.00 H ATOM 1096 N PRO A 119 47.845 -15.570 0.763 1.00 4.45 N ATOM 1097 CA PRO A 119 48.012 -15.525 -0.695 1.00 4.47 C ATOM 1098 C PRO A 119 47.764 -14.189 -1.350 1.00 4.46 C ATOM 1099 O PRO A 119 48.268 -13.953 -2.475 1.00 4.59 O ATOM 1100 CB PRO A 119 46.972 -16.560 -1.196 1.00 4.46 C ATOM 1101 CG PRO A 119 46.705 -17.413 -0.017 1.00 4.65 C ATOM 1102 CD PRO A 119 46.814 -16.538 1.167 1.00 4.49 C ATOM 1103 N TYR A 120 46.962 -13.339 -0.699 1.00 4.42 N ATOM 1104 CA TYR A 120 46.379 -12.169 -1.328 1.00 4.33 C ATOM 1105 C TYR A 120 47.000 -10.928 -0.684 1.00 4.33 C ATOM 1106 O TYR A 120 47.010 -10.826 0.539 1.00 4.43 O ATOM 1107 CB TYR A 120 44.856 -12.180 -1.158 1.00 4.44 C ATOM 1108 CG TYR A 120 44.235 -13.435 -1.709 1.00 4.53 C ATOM 1109 CD1 TYR A 120 44.293 -13.747 -3.076 1.00 4.64 C ATOM 1110 CD2 TYR A 120 43.594 -14.334 -0.873 1.00 4.73 C ATOM 1111 CE1 TYR A 120 43.711 -14.906 -3.567 1.00 4.77 C ATOM 1112 CE2 TYR A 120 43.038 -15.503 -1.358 1.00 4.85 C ATOM 1113 CZ TYR A 120 43.100 -15.778 -2.704 1.00 4.94 C ATOM 1114 OH TYR A 120 42.523 -16.945 -3.176 1.00 5.42 O ATOM 1115 HH TYR A 120 42.954 -17.724 -2.742 1.00 0.00 H ATOM 1116 H TYR A 120 46.747 -13.525 0.301 1.00 0.00 H ATOM 1117 N TRP A 121 47.504 -10.003 -1.499 1.00 4.36 N ATOM 1118 CA TRP A 121 48.229 -8.837 -1.017 1.00 4.46 C ATOM 1119 C TRP A 121 47.715 -7.540 -1.592 1.00 4.89 C ATOM 1120 O TRP A 121 47.442 -7.430 -2.805 1.00 4.72 O ATOM 1121 CB TRP A 121 49.736 -8.984 -1.324 1.00 4.33 C ATOM 1122 CG TRP A 121 50.333 -10.071 -0.509 1.00 4.25 C ATOM 1123 CD1 TRP A 121 50.192 -11.424 -0.705 1.00 4.24 C ATOM 1124 CD2 TRP A 121 51.033 -9.923 0.723 1.00 4.22 C ATOM 1125 NE1 TRP A 121 50.808 -12.096 0.296 1.00 4.23 N ATOM 1126 CE2 TRP A 121 51.324 -11.208 1.205 1.00 4.33 C ATOM 1127 CE3 TRP A 121 51.451 -8.819 1.457 1.00 4.34 C ATOM 1128 CZ2 TRP A 121 52.014 -11.412 2.407 1.00 4.35 C ATOM 1129 CZ3 TRP A 121 52.115 -9.006 2.636 1.00 4.30 C ATOM 1130 CH2 TRP A 121 52.422 -10.299 3.097 1.00 4.37 C ATOM 1131 HE1 TRP A 121 50.879 -13.131 0.365 1.00 0.00 H ATOM 1132 H TRP A 121 47.374 -10.119 -2.524 1.00 0.00 H ATOM 1133 N GLY A 122 47.670 -6.541 -0.706 1.00 5.26 N ATOM 1134 CA GLY A 122 47.438 -5.168 -1.105 1.00 5.68 C ATOM 1135 C GLY A 122 48.696 -4.568 -1.706 1.00 6.13 C ATOM 1136 O GLY A 122 49.754 -5.188 -1.734 1.00 6.28 O ATOM 1137 H GLY A 122 47.806 -6.756 0.302 1.00 0.00 H ATOM 1138 N GLN A 123 48.577 -3.341 -2.182 1.00 7.07 N ATOM 1139 CA GLN A 123 49.628 -2.724 -2.980 1.00 7.97 C ATOM 1140 C GLN A 123 50.694 -2.011 -2.138 1.00 7.37 C ATOM 1141 O GLN A 123 51.738 -1.600 -2.666 1.00 7.83 O ATOM 1142 CB GLN A 123 48.975 -1.753 -3.971 1.00 9.16 C ATOM 1143 CG GLN A 123 48.633 -0.351 -3.459 1.00 10.69 C ATOM 1144 CD GLN A 123 47.324 -0.175 -2.684 1.00 12.26 C ATOM 1145 OE1 GLN A 123 46.667 -1.129 -2.218 1.00 12.54 O ATOM 1146 NE2 GLN A 123 46.923 1.100 -2.557 1.00 14.90 N ATOM 1147 HE22 GLN A 123 47.497 1.868 -2.959 1.00 0.00 H ATOM 1148 HE21 GLN A 123 46.038 1.319 -2.057 1.00 0.00 H ATOM 1149 H GLN A 123 47.711 -2.802 -1.982 1.00 0.00 H ATOM 1150 N GLY A 124 50.428 -1.863 -0.847 1.00 6.57 N ATOM 1151 CA GLY A 124 51.385 -1.236 0.065 1.00 6.36 C ATOM 1152 C GLY A 124 51.081 0.235 0.284 1.00 6.12 C ATOM 1153 O GLY A 124 50.526 0.905 -0.574 1.00 6.54 O ATOM 1154 H GLY A 124 49.518 -2.201 -0.474 1.00 0.00 H ATOM 1155 N THR A 125 51.405 0.689 1.490 1.00 5.83 N ATOM 1156 CA THR A 125 51.245 2.068 1.936 1.00 5.66 C ATOM 1157 C THR A 125 52.569 2.471 2.555 1.00 5.52 C ATOM 1158 O THR A 125 52.941 1.936 3.619 1.00 5.14 O ATOM 1159 CB THR A 125 50.137 2.162 3.027 1.00 5.85 C ATOM 1160 OG1 THR A 125 48.885 1.767 2.475 1.00 6.30 O ATOM 1161 CG2 THR A 125 50.013 3.601 3.564 1.00 5.94 C ATOM 1162 HG1 THR A 125 48.655 2.365 1.720 1.00 0.00 H ATOM 1163 H THR A 125 51.803 0.008 2.168 1.00 0.00 H ATOM 1164 N GLN A 126 53.278 3.430 1.940 1.00 5.22 N ATOM 1165 CA GLN A 126 54.597 3.809 2.412 1.00 5.45 C ATOM 1166 C GLN A 126 54.447 4.935 3.430 1.00 5.35 C ATOM 1167 O GLN A 126 53.791 5.956 3.159 1.00 5.65 O ATOM 1168 CB GLN A 126 55.485 4.214 1.226 1.00 5.61 C ATOM 1169 CG GLN A 126 56.969 4.282 1.516 1.00 5.84 C ATOM 1170 CD GLN A 126 57.349 5.489 2.350 1.00 5.82 C ATOM 1171 OE1 GLN A 126 56.811 6.587 2.206 1.00 6.20 O ATOM 1172 NE2 GLN A 126 58.262 5.284 3.223 1.00 5.92 N ATOM 1173 HE22 GLN A 126 58.692 4.342 3.314 1.00 0.00 H ATOM 1174 HE21 GLN A 126 58.574 6.060 3.842 1.00 0.00 H ATOM 1175 H GLN A 126 52.875 3.910 1.110 1.00 0.00 H ATOM 1176 N VAL A 127 55.064 4.731 4.589 1.00 5.33 N ATOM 1177 CA VAL A 127 55.038 5.675 5.687 1.00 5.51 C ATOM 1178 C VAL A 127 56.462 5.942 6.158 1.00 5.64 C ATOM 1179 O VAL A 127 57.189 5.007 6.522 1.00 5.82 O ATOM 1180 CB VAL A 127 54.222 5.109 6.869 1.00 5.46 C ATOM 1181 CG1 VAL A 127 54.183 6.117 7.999 1.00 5.54 C ATOM 1182 CG2 VAL A 127 52.802 4.738 6.462 1.00 5.65 C ATOM 1183 H VAL A 127 55.594 3.845 4.714 1.00 0.00 H ATOM 1184 N THR A 128 56.859 7.223 6.196 1.00 5.99 N ATOM 1185 CA THR A 128 58.147 7.630 6.754 1.00 6.83 C ATOM 1186 C THR A 128 57.875 8.439 8.011 1.00 7.03 C ATOM 1187 O THR A 128 57.139 9.401 7.958 1.00 8.04 O ATOM 1188 CB THR A 128 58.920 8.504 5.757 1.00 7.44 C ATOM 1189 OG1 THR A 128 59.127 7.803 4.523 1.00 7.98 O ATOM 1190 CG2 THR A 128 60.248 8.910 6.309 1.00 7.84 C ATOM 1191 HG1 THR A 128 58.251 7.565 4.129 1.00 0.00 H ATOM 1192 H THR A 128 56.226 7.954 5.814 1.00 0.00 H ATOM 1193 N VAL A 129 58.443 8.026 9.122 1.00 7.29 N ATOM 1194 CA VAL A 129 58.292 8.710 10.396 1.00 7.81 C ATOM 1195 C VAL A 129 59.582 9.466 10.671 1.00 8.97 C ATOM 1196 O VAL A 129 60.673 8.888 10.652 1.00 9.20 O ATOM 1197 CB VAL A 129 58.020 7.711 11.545 1.00 7.51 C ATOM 1198 CG1 VAL A 129 57.771 8.455 12.853 1.00 7.46 C ATOM 1199 CG2 VAL A 129 56.844 6.822 11.209 1.00 7.20 C ATOM 1200 H VAL A 129 59.029 7.168 9.088 1.00 0.00 H ATOM 1201 N SER A 130 59.466 10.753 10.951 1.00 10.92 N ATOM 1202 CA SER A 130 60.639 11.544 11.227 1.00 12.87 C ATOM 1203 C SER A 130 60.502 12.366 12.492 1.00 14.16 C ATOM 1204 O SER A 130 59.412 12.776 12.860 1.00 12.83 O ATOM 1205 CB SER A 130 60.980 12.426 10.019 1.00 14.21 C ATOM 1206 OG SER A 130 60.029 13.448 9.827 1.00 17.74 O ATOM 1207 HG SER A 130 59.998 14.024 10.632 1.00 0.00 H ATOM 1208 H SER A 130 58.525 11.196 10.972 1.00 0.00 H ATOM 1209 N SER A 131 61.652 12.598 13.126 1.00 16.81 N ATOM 1210 CA SER A 131 61.758 13.427 14.328 1.00 19.29 C ATOM 1211 C SER A 131 61.455 14.879 14.003 1.00 20.70 C ATOM 1212 O SER A 131 61.633 15.316 12.878 1.00 20.70 O ATOM 1213 CB SER A 131 63.173 13.348 14.909 1.00 20.48 C ATOM 1214 OG SER A 131 63.605 12.011 15.129 1.00 21.90 O ATOM 1215 HG SER A 131 63.602 11.519 14.270 1.00 0.00 H ATOM 1216 H SER A 131 62.519 12.167 12.747 1.00 0.00 H ATOM 1217 N HIS A 132 61.027 15.629 15.004 1.00 24.30 N ATOM 1218 CA HIS A 132 60.552 17.007 14.810 1.00 27.67 C ATOM 1219 C HIS A 132 61.646 17.999 14.436 1.00 29.07 C ATOM 1220 O HIS A 132 62.818 17.755 14.710 1.00 33.65 O ATOM 1221 CB HIS A 132 59.813 17.466 16.076 1.00 28.78 C ATOM 1222 CG HIS A 132 58.493 16.781 16.267 1.00 30.51 C ATOM 1223 ND1 HIS A 132 57.287 17.402 16.005 1.00 31.29 N ATOM 1224 CD2 HIS A 132 58.192 15.517 16.654 1.00 30.42 C ATOM 1225 CE1 HIS A 132 56.300 16.554 16.239 1.00 30.95 C ATOM 1226 NE2 HIS A 132 56.823 15.401 16.628 1.00 32.14 N ATOM 1227 H HIS A 132 61.026 15.230 15.964 1.00 0.00 H TER 1228 HIS A 132 HETATM 1229 NA NA A 1 64.309 -6.194 10.852 1.00 21.92 NA HETATM 1230 O HOH 2 38.831 -0.022 6.042 1.00 13.10 O HETATM 1231 O HOH 3 41.198 -13.743 2.144 1.00 13.84 O HETATM 1232 O HOH 4 32.201 -12.811 -0.893 1.00 13.64 O HETATM 1233 O HOH 5 44.587 -10.372 -4.128 1.00 17.19 O HETATM 1234 O HOH 6 67.401 -9.062 6.390 1.00 12.89 O HETATM 1235 O HOH 7 41.495 -8.311 20.192 1.00 25.75 O HETATM 1236 O HOH 8 31.687 -6.812 -3.761 1.00 12.06 O HETATM 1237 O HOH 9 59.592 16.068 10.661 1.00 23.18 O HETATM 1238 O HOH 10 60.554 -5.450 7.649 1.00 14.00 O HETATM 1239 O HOH 11 57.551 -6.561 -1.076 1.00 23.82 O HETATM 1240 O HOH 12 37.819 -0.404 11.949 1.00 21.73 O HETATM 1241 O HOH 13 37.789 -15.782 10.373 1.00 10.64 O HETATM 1242 O HOH 14 53.831 -20.986 7.804 1.00 14.86 O HETATM 1243 O HOH 15 37.915 -17.477 19.207 1.00 18.51 O HETATM 1244 O HOH 16 45.549 -24.311 19.847 1.00 22.41 O HETATM 1245 O HOH 17 57.489 -12.191 7.824 1.00 24.33 O HETATM 1246 O HOH 18 45.859 -2.689 20.689 1.00 21.33 O HETATM 1247 O HOH 19 39.000 -22.479 4.621 1.00 22.16 O HETATM 1248 O HOH 20 37.768 -9.786 -6.794 1.00 14.37 O HETATM 1249 O HOH 21 58.734 -5.160 12.046 1.00 14.52 O HETATM 1250 O HOH 22 38.919 -17.250 15.388 1.00 21.46 O HETATM 1251 O HOH 23 57.805 -2.757 0.081 1.00 11.40 O HETATM 1252 O HOH 24 47.024 -19.649 3.343 1.00 8.61 O HETATM 1253 O HOH 25 45.510 -21.624 4.736 1.00 17.15 O HETATM 1254 O HOH 26 45.446 6.277 5.126 1.00 4.66 O HETATM 1255 O HOH 27 50.185 8.653 18.687 1.00 14.14 O HETATM 1256 O HOH 28 40.725 -4.999 17.697 1.00 12.14 O HETATM 1257 O HOH 29 57.592 -11.411 10.589 1.00 19.04 O HETATM 1258 O HOH 30 41.178 1.204 1.811 1.00 13.50 O HETATM 1259 O HOH 31 41.889 -0.268 14.385 1.00 13.41 O HETATM 1260 O HOH 32 50.585 -15.397 16.971 1.00 13.21 O HETATM 1261 O HOH 33 45.093 -27.710 9.692 1.00 7.98 O HETATM 1262 O HOH 34 50.230 -19.145 0.059 1.00 10.40 O HETATM 1263 O HOH 35 43.220 -5.866 19.069 1.00 11.14 O HETATM 1264 O HOH 36 61.014 -13.534 2.665 1.00 15.47 O HETATM 1265 O HOH 37 62.450 1.754 9.659 1.00 9.95 O HETATM 1266 O HOH 38 48.069 -4.158 19.976 1.00 14.08 O HETATM 1267 O HOH 39 60.557 -0.012 2.728 1.00 5.81 O HETATM 1268 O HOH 40 60.284 -7.072 -1.594 1.00 22.66 O HETATM 1269 O HOH 41 68.797 -6.841 5.333 1.00 5.99 O HETATM 1270 O HOH 42 44.443 -18.742 2.421 1.00 13.64 O HETATM 1271 O HOH 43 45.038 -7.610 -4.175 1.00 9.91 O HETATM 1272 O HOH 44 59.127 -1.307 18.397 1.00 18.09 O HETATM 1273 O HOH 45 42.098 -19.333 -1.814 1.00 16.16 O HETATM 1274 O HOH 46 57.181 9.244 3.142 1.00 20.95 O HETATM 1275 O HOH 47 58.339 -13.529 0.273 1.00 8.63 O HETATM 1276 O HOH 48 37.235 11.880 10.203 1.00 23.62 O HETATM 1277 O HOH 49 63.844 -5.302 1.217 1.00 13.93 O HETATM 1278 O HOH 50 44.080 -14.197 19.498 1.00 15.90 O HETATM 1279 O HOH 51 48.528 2.983 -0.668 1.00 22.86 O HETATM 1280 O HOH 52 51.715 2.719 -2.374 1.00 11.71 O HETATM 1281 O HOH 53 64.180 -2.726 0.759 1.00 10.51 O HETATM 1282 O HOH 54 57.319 -9.663 13.182 1.00 14.38 O HETATM 1283 O HOH 55 30.755 -11.733 5.996 1.00 14.35 O HETATM 1284 O HOH 56 58.408 -8.225 17.101 1.00 24.59 O HETATM 1285 O HOH 57 46.448 1.660 18.493 1.00 14.72 O HETATM 1286 O HOH 58 37.285 -5.556 15.259 1.00 10.92 O HETATM 1287 O HOH 59 67.926 -5.459 12.299 1.00 18.69 O HETATM 1288 O HOH 60 64.153 -10.064 9.375 1.00 23.68 O HETATM 1289 O HOH 61 57.479 -14.626 6.793 1.00 8.28 O HETATM 1290 O HOH 62 56.579 -13.670 11.679 1.00 18.64 O HETATM 1291 O HOH 63 54.917 -1.322 20.589 1.00 13.77 O HETATM 1292 O HOH 64 38.138 3.997 6.043 1.00 17.30 O HETATM 1293 O HOH 65 28.600 -4.119 11.618 1.00 19.16 O HETATM 1294 O HOH 66 48.569 -11.527 -3.989 1.00 10.09 O HETATM 1295 O HOH 67 50.501 -15.463 -3.479 1.00 6.88 O HETATM 1296 O HOH 68 64.638 -9.516 6.507 1.00 11.78 O HETATM 1297 O HOH 69 51.082 11.717 6.184 1.00 18.01 O HETATM 1298 O HOH 70 47.367 2.534 21.132 1.00 20.94 O HETATM 1299 O HOH 71 59.395 -0.545 15.711 1.00 14.81 O HETATM 1300 O HOH 72 32.577 -8.530 15.649 1.00 29.90 O HETATM 1301 O HOH 73 46.301 -25.110 15.091 1.00 19.08 O HETATM 1302 O HOH 74 41.550 -20.013 15.009 1.00 13.24 O HETATM 1303 O HOH 75 38.319 -22.482 8.637 1.00 17.02 O HETATM 1304 O HOH 76 37.452 -21.013 3.200 1.00 20.41 O HETATM 1305 O HOH 77 62.825 4.691 16.331 1.00 15.55 O HETATM 1306 O HOH 78 56.952 -10.992 17.730 1.00 18.76 O HETATM 1307 O HOH 79 49.344 -11.103 20.241 1.00 21.47 O HETATM 1308 O HOH 80 64.041 11.231 12.043 1.00 30.43 O HETATM 1309 O HOH 81 38.722 -6.886 17.232 1.00 13.76 O HETATM 1310 O HOH 82 45.500 -9.503 20.826 1.00 19.38 O HETATM 1311 O HOH 83 34.628 0.748 12.240 1.00 28.54 O HETATM 1312 O HOH 84 51.719 -12.967 16.559 1.00 16.39 O HETATM 1313 O HOH 85 43.707 -18.264 16.801 1.00 14.06 O HETATM 1314 O HOH 86 38.460 2.429 13.154 1.00 28.17 O HETATM 1315 O HOH 87 38.819 -17.902 11.507 1.00 20.82 O HETATM 1316 O HOH 88 39.138 -3.610 -3.184 1.00 18.97 O HETATM 1317 O HOH 89 52.400 -0.675 -5.722 1.00 25.73 O HETATM 1318 O HOH 90 43.044 -16.123 18.063 1.00 26.96 O HETATM 1319 O HOH 91 64.198 3.808 9.537 1.00 14.85 O HETATM 1320 O HOH 92 64.919 -12.260 5.908 1.00 21.81 O HETATM 1321 O HOH 93 62.342 -5.285 -1.213 1.00 17.10 O HETATM 1322 O HOH 94 66.615 -2.097 -0.282 1.00 13.07 O HETATM 1323 O HOH 95 58.964 -16.073 4.981 1.00 20.67 O HETATM 1324 O HOH 96 48.141 -20.713 1.013 1.00 9.18 O HETATM 1325 O HOH 97 41.713 1.227 16.582 1.00 24.65 O HETATM 1326 O HOH 98 46.496 -11.522 -5.766 1.00 12.75 O HETATM 1327 O HOH 99 39.545 -2.750 18.577 1.00 23.44 O HETATM 1328 O HOH 100 28.345 4.491 6.964 1.00 20.57 O HETATM 1329 C12 UNN A 101 37.966 -14.291 -0.694 1.00 -0.03 C HETATM 1330 C11 UNN A 101 36.753 -13.702 -0.362 1.00 0.07 C HETATM 1331 N1 UNN A 101 36.566 -12.792 0.641 1.00 -0.21 N HETATM 1332 C8 UNN A 101 37.531 -12.114 1.317 1.00 0.32 C HETATM 1333 N7 UNN A 101 37.183 -10.900 1.781 1.00 -0.21 N HETATM 1334 C4 UNN A 101 37.938 -9.921 2.351 1.00 0.07 C HETATM 1335 C5 UNN A 101 37.245 -8.818 2.869 1.00 -0.04 C HETATM 1336 C6 UNN A 101 37.904 -7.753 3.472 1.00 -0.06 C HETATM 1337 C1 UNN A 101 39.272 -7.803 3.580 1.00 0.02 C HETATM 1338 CL1 UNN A 101 40.131 -6.451 4.315 1.00 -0.09 CL HETATM 1339 C2 UNN A 101 39.980 -8.883 3.094 1.00 -0.06 C HETATM 1340 C3 UNN A 101 39.320 -9.944 2.480 1.00 -0.04 C HETATM 1341 H6 UNN A 101 39.886 -10.788 2.103 1.00 0.05 H HETATM 1342 H5 UNN A 101 41.059 -8.906 3.191 1.00 0.06 H HETATM 1343 H4 UNN A 101 37.350 -6.901 3.849 1.00 0.06 H HETATM 1344 H3 UNN A 101 36.164 -8.795 2.797 1.00 0.05 H HETATM 1345 H7 UNN A 101 36.211 -10.681 1.693 1.00 0.23 H HETATM 1346 O9 UNN A 101 38.663 -12.542 1.431 1.00 -0.38 O HETATM 1347 H2 UNN A 101 35.620 -12.605 0.905 1.00 0.23 H HETATM 1348 C16 UNN A 101 35.643 -14.030 -1.128 1.00 -0.04 C HETATM 1349 C15 UNN A 101 35.713 -14.920 -2.198 1.00 -0.06 C HETATM 1350 C14 UNN A 101 36.936 -15.497 -2.526 1.00 0.04 C HETATM 1351 C13 UNN A 101 38.037 -15.188 -1.760 1.00 0.04 C HETATM 1352 CL2 UNN A 101 39.633 -15.897 -2.164 1.00 -0.07 CL HETATM 1353 CL3 UNN A 101 37.023 -16.617 -3.932 1.00 -0.08 CL HETATM 1354 H8 UNN A 101 34.824 -15.160 -2.769 1.00 0.06 H HETATM 1355 H9 UNN A 101 34.688 -13.578 -0.885 1.00 0.05 H HETATM 1356 H1 UNN A 101 38.858 -14.054 -0.125 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 188 187 900 CONECT 433 431 1229 CONECT 900 188 899 CONECT 1229 433 CONECT 1329 1330 1351 1356 CONECT 1330 1329 1331 1348 CONECT 1331 1330 1332 1347 CONECT 1332 1331 1333 1346 CONECT 1333 1332 1334 1345 CONECT 1334 1333 1335 1340 CONECT 1335 1334 1336 1344 CONECT 1336 1335 1337 1343 CONECT 1337 1336 1338 1339 CONECT 1338 1337 CONECT 1339 1337 1340 1342 CONECT 1340 1334 1339 1341 CONECT 1341 1340 CONECT 1342 1339 CONECT 1343 1336 CONECT 1344 1335 CONECT 1345 1333 CONECT 1346 1332 CONECT 1347 1331 CONECT 1348 1330 1349 1355 CONECT 1349 1348 1350 1354 CONECT 1350 1349 1351 1353 CONECT 1351 1329 1350 1352 CONECT 1352 1351 CONECT 1353 1350 CONECT 1354 1349 CONECT 1355 1348 CONECT 1356 1329 MASTER 0 0 0 0 0 0 0 0 1355 1 36 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 5vm6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5vl2
RCSB PDB
PDBbind
9EG
5vm0
RCSB PDB
PDBbind
9EG
Entry Information
PDB ID
5vm6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
single domain camelid nanobody VHH T10
Ligand Name
9EG
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=78nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Mol. Recognit. Vol. 32: pp. e2755-e2755
Ligand Properties
Formula
C
1
3
H
9
Cl
3
N
2
O
Molecular Weight
315.582
Exact Mass
313.978
No. of atoms
28
No. of bonds
29
Polar Surface Area
41.13
LOGP Value
4.37 (
Computed with XLOGP3
)
5.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl
InChI String
InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
Links to External Databases
RCSB PDB
The mother database
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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娌叕缃戝畨澶囷細
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