Browse entries in the PDBbind-CN Database
HEADER 3IKG_COMPLEX COMPND 3IKG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 GLU PRO ALA ARG VAL ARG CYS SER HIS LEU LEU VAL LYS SEQRES 2 A 113 HIS SER GLN SER ARG ARG PRO SER SER TRP ARG GLN GLU SEQRES 3 A 113 GLN ILE THR ARG THR GLN GLU GLU ALA LEU GLU LEU ILE SEQRES 4 A 113 ASN GLY TYR ILE GLN LYS ILE LYS SER GLY GLU GLU ASP SEQRES 5 A 113 PHE GLU SER LEU ALA SER GLN PHE SER ASP CYS SER SER SEQRES 6 A 113 ALA LYS ALA ARG GLY ASP LEU GLY ALA PHE SER ARG GLY SEQRES 7 A 113 GLN MET GLN LYS PRO PHE GLU ASP ALA SER PHE ALA LEU SEQRES 8 A 113 ARG THR GLY GLU MET SER GLY PRO VAL PHE THR ASP SER SEQRES 9 A 113 GLY ILE HIS ILE ILE LEU ARG THR GLU HET J A 8Z 45 ATOM 1 N GLU A 51 5.766 26.364 6.670 1.00 54.38 N ATOM 2 CA GLU A 51 6.069 25.002 6.231 1.00 41.94 C ATOM 3 C GLU A 51 4.795 24.170 6.172 1.00 32.50 C ATOM 4 O GLU A 51 3.994 24.197 7.108 1.00 33.06 O ATOM 5 CB GLU A 51 7.105 24.381 7.159 1.00 49.37 C ATOM 6 CG GLU A 51 7.134 22.868 7.237 1.00 50.91 C ATOM 7 CD GLU A 51 8.278 22.345 8.094 1.00 50.78 C ATOM 8 OE1 GLU A 51 9.414 22.849 7.952 1.00 34.03 O ATOM 9 OE2 GLU A 51 8.027 21.425 8.902 1.00 41.04 O ATOM 10 HA GLU A 51 6.489 25.028 5.226 1.00 0.00 H ATOM 11 HB2 GLU A 51 8.088 24.713 6.825 1.00 0.00 H ATOM 12 HB3 GLU A 51 6.917 24.760 8.164 1.00 0.00 H ATOM 13 HG2 GLU A 51 6.192 22.523 7.664 1.00 0.00 H ATOM 14 HG3 GLU A 51 7.243 22.469 6.229 1.00 0.00 H ATOM 15 HN3 GLU A 51 5.335 26.334 7.616 1.00 0.00 H ATOM 16 HN2 GLU A 51 5.103 26.804 6.000 1.00 0.00 H ATOM 17 HN1 GLU A 51 6.645 26.919 6.705 1.00 0.00 H ATOM 18 N PRO A 52 4.602 23.439 5.079 1.00 32.41 N ATOM 19 CA PRO A 52 3.413 22.599 4.904 1.00 31.38 C ATOM 20 C PRO A 52 3.436 21.397 5.845 1.00 26.14 C ATOM 21 O PRO A 52 4.530 21.033 6.280 1.00 27.84 O ATOM 22 CB PRO A 52 3.548 22.109 3.460 1.00 34.17 C ATOM 23 CG PRO A 52 5.031 22.097 3.234 1.00 26.92 C ATOM 24 CD PRO A 52 5.517 23.348 3.921 1.00 29.85 C ATOM 25 HA PRO A 52 2.490 23.139 5.114 1.00 0.00 H ATOM 26 HD3 PRO A 52 6.554 23.246 4.242 1.00 0.00 H ATOM 27 HD2 PRO A 52 5.423 24.219 3.272 1.00 0.00 H ATOM 28 HG3 PRO A 52 5.261 22.126 2.169 1.00 0.00 H ATOM 29 HG2 PRO A 52 5.483 21.210 3.678 1.00 0.00 H ATOM 30 HB2 PRO A 52 3.128 21.110 3.346 1.00 0.00 H ATOM 31 HB3 PRO A 52 3.053 22.791 2.768 1.00 0.00 H ATOM 32 N ALA A 53 2.291 20.797 6.133 1.00 29.51 N ATOM 33 CA ALA A 53 2.229 19.603 6.971 1.00 26.88 C ATOM 34 C ALA A 53 3.093 18.470 6.424 1.00 28.75 C ATOM 35 O ALA A 53 3.816 17.781 7.157 1.00 25.70 O ATOM 36 CB ALA A 53 0.785 19.141 7.115 1.00 21.37 C ATOM 37 HA ALA A 53 2.626 19.869 7.951 1.00 0.00 H ATOM 38 HB1 ALA A 53 0.195 19.934 7.576 1.00 0.00 H ATOM 39 HB2 ALA A 53 0.379 18.910 6.130 1.00 0.00 H ATOM 40 HB3 ALA A 53 0.751 18.250 7.742 1.00 0.00 H ATOM 41 H ALA A 53 1.407 21.189 5.750 1.00 0.00 H ATOM 42 N ARG A 54 3.013 18.272 5.116 1.00 25.74 N ATOM 43 CA ARG A 54 3.710 17.218 4.402 1.00 19.95 C ATOM 44 C ARG A 54 4.262 17.756 3.082 1.00 18.86 C ATOM 45 O ARG A 54 3.757 18.737 2.543 1.00 18.66 O ATOM 46 CB ARG A 54 2.802 16.025 4.102 1.00 17.75 C ATOM 47 CG ARG A 54 2.132 15.419 5.321 1.00 18.75 C ATOM 48 CD ARG A 54 1.590 14.034 5.027 1.00 18.02 C ATOM 49 NE ARG A 54 0.551 14.121 3.988 1.00 21.78 N ATOM 50 CZ ARG A 54 0.036 13.031 3.432 1.00 25.21 C ATOM 51 NH1 ARG A 54 0.458 11.833 3.820 1.00 16.48 N ATOM 52 NH2 ARG A 54 -0.893 13.142 2.500 1.00 17.80 N ATOM 53 HA ARG A 54 4.520 16.879 5.047 1.00 0.00 H ATOM 54 HB2 ARG A 54 2.023 16.355 3.414 1.00 0.00 H ATOM 55 HB3 ARG A 54 3.403 15.251 3.624 1.00 0.00 H ATOM 56 HG2 ARG A 54 2.861 15.350 6.129 1.00 0.00 H ATOM 57 HG3 ARG A 54 1.309 16.063 5.630 1.00 0.00 H ATOM 58 HD2 ARG A 54 1.161 13.612 5.935 1.00 0.00 H ATOM 59 HD3 ARG A 54 2.400 13.394 4.678 1.00 0.00 H ATOM 60 HE ARG A 54 0.213 15.056 3.683 1.00 0.00 H ATOM 61 HH12 ARG A 54 0.058 10.976 3.388 1.00 0.00 H ATOM 62 HH11 ARG A 54 1.188 11.752 4.556 1.00 0.00 H ATOM 63 HH22 ARG A 54 -1.297 12.288 2.064 1.00 0.00 H ATOM 64 HH21 ARG A 54 -1.221 14.083 2.202 1.00 0.00 H ATOM 65 H ARG A 54 2.410 18.915 4.564 1.00 0.00 H ATOM 66 N VAL A 55 5.304 17.097 2.579 1.00 15.93 N ATOM 67 CA VAL A 55 5.777 17.417 1.245 1.00 18.33 C ATOM 68 C VAL A 55 5.733 16.130 0.408 1.00 23.02 C ATOM 69 O VAL A 55 5.712 15.029 0.963 1.00 22.28 O ATOM 70 CB VAL A 55 7.187 18.021 1.159 1.00 22.86 C ATOM 71 CG1 VAL A 55 7.227 19.388 1.839 1.00 18.10 C ATOM 72 CG2 VAL A 55 8.217 17.064 1.734 1.00 18.02 C ATOM 73 HA VAL A 55 5.116 18.198 0.871 1.00 0.00 H ATOM 74 HB VAL A 55 7.442 18.174 0.110 1.00 0.00 H ATOM 75 HG11 VAL A 55 6.524 20.059 1.345 1.00 0.00 H ATOM 76 HG12 VAL A 55 6.952 19.279 2.888 1.00 0.00 H ATOM 77 HG13 VAL A 55 8.234 19.799 1.767 1.00 0.00 H ATOM 78 HG21 VAL A 55 7.982 16.864 2.779 1.00 0.00 H ATOM 79 HG22 VAL A 55 8.198 16.131 1.171 1.00 0.00 H ATOM 80 HG23 VAL A 55 9.208 17.513 1.662 1.00 0.00 H ATOM 81 H VAL A 55 5.776 16.358 3.138 1.00 0.00 H ATOM 82 N ARG A 56 5.713 16.312 -0.905 1.00 18.40 N ATOM 83 CA ARG A 56 5.857 15.170 -1.815 1.00 20.12 C ATOM 84 C ARG A 56 7.211 15.289 -2.503 1.00 16.73 C ATOM 85 O ARG A 56 7.568 16.343 -3.028 1.00 18.17 O ATOM 86 CB ARG A 56 4.694 15.069 -2.809 1.00 19.76 C ATOM 87 CG ARG A 56 4.611 13.733 -3.552 1.00 16.63 C ATOM 88 CD ARG A 56 3.605 13.839 -4.703 1.00 22.19 C ATOM 89 NE ARG A 56 3.574 12.626 -5.516 1.00 22.98 N ATOM 90 CZ ARG A 56 2.625 12.312 -6.390 1.00 21.21 C ATOM 91 NH1 ARG A 56 1.598 13.128 -6.581 1.00 19.41 N ATOM 92 NH2 ARG A 56 2.679 11.185 -7.083 1.00 19.47 N ATOM 93 HA ARG A 56 5.819 14.239 -1.250 1.00 0.00 H ATOM 94 HB2 ARG A 56 3.763 15.213 -2.261 1.00 0.00 H ATOM 95 HB3 ARG A 56 4.806 15.863 -3.547 1.00 0.00 H ATOM 96 HG2 ARG A 56 5.593 13.480 -3.952 1.00 0.00 H ATOM 97 HG3 ARG A 56 4.289 12.954 -2.861 1.00 0.00 H ATOM 98 HD2 ARG A 56 3.883 14.681 -5.337 1.00 0.00 H ATOM 99 HD3 ARG A 56 2.612 14.010 -4.288 1.00 0.00 H ATOM 100 HE ARG A 56 4.359 11.954 -5.401 1.00 0.00 H ATOM 101 HH12 ARG A 56 0.856 12.879 -7.266 1.00 0.00 H ATOM 102 HH11 ARG A 56 1.534 14.017 -6.046 1.00 0.00 H ATOM 103 HH22 ARG A 56 1.926 10.956 -7.763 1.00 0.00 H ATOM 104 HH21 ARG A 56 3.474 10.529 -6.947 1.00 0.00 H ATOM 105 H ARG A 56 5.595 17.270 -1.292 1.00 0.00 H ATOM 106 N CYS A 57 7.983 14.194 -2.467 1.00 16.80 N ATOM 107 CA CYS A 57 9.261 14.136 -3.140 1.00 19.26 C ATOM 108 C CYS A 57 9.484 12.794 -3.853 1.00 15.11 C ATOM 109 O CYS A 57 8.933 11.766 -3.494 1.00 16.64 O ATOM 110 CB CYS A 57 10.456 14.324 -2.190 1.00 21.40 C ATOM 111 SG CYS A 57 10.399 15.855 -1.216 1.00 19.63 S ATOM 112 HA CYS A 57 9.217 14.958 -3.855 1.00 0.00 H ATOM 113 HB2 CYS A 57 11.369 14.331 -2.786 1.00 0.00 H ATOM 114 HB3 CYS A 57 10.481 13.480 -1.500 1.00 0.00 H ATOM 115 HG CYS A 57 11.512 15.923 -0.403 1.00 0.00 H ATOM 116 H CYS A 57 7.653 13.361 -1.939 1.00 0.00 H ATOM 117 N SER A 58 10.334 12.886 -4.854 1.00 12.98 N ATOM 118 CA SER A 58 10.953 11.779 -5.548 1.00 17.52 C ATOM 119 C SER A 58 12.430 11.819 -5.143 1.00 18.53 C ATOM 120 O SER A 58 12.940 12.897 -4.791 1.00 16.60 O ATOM 121 CB SER A 58 10.801 11.850 -7.067 1.00 25.27 C ATOM 122 OG SER A 58 9.433 11.848 -7.471 1.00 21.31 O ATOM 123 HA SER A 58 10.466 10.844 -5.270 1.00 0.00 H ATOM 124 HB2 SER A 58 11.300 10.989 -7.511 1.00 0.00 H ATOM 125 HB3 SER A 58 11.272 12.765 -7.425 1.00 0.00 H ATOM 126 HG SER A 58 9.382 11.895 -8.459 1.00 0.00 H ATOM 127 H SER A 58 10.583 13.843 -5.175 1.00 0.00 H ATOM 128 N HIS A 59 13.087 10.681 -5.199 1.00 15.59 N ATOM 129 CA HIS A 59 14.527 10.700 -4.908 1.00 18.75 C ATOM 130 C HIS A 59 15.236 9.655 -5.744 1.00 18.58 C ATOM 131 O HIS A 59 14.627 8.766 -6.341 1.00 19.16 O ATOM 132 CB HIS A 59 14.770 10.507 -3.407 1.00 16.39 C ATOM 133 CG HIS A 59 14.750 9.098 -2.914 1.00 20.46 C ATOM 134 ND1 HIS A 59 15.739 8.579 -2.098 1.00 17.80 N ATOM 135 CD2 HIS A 59 13.879 8.079 -3.123 1.00 20.53 C ATOM 136 CE1 HIS A 59 15.476 7.321 -1.820 1.00 16.16 C ATOM 137 NE2 HIS A 59 14.346 6.989 -2.434 1.00 26.84 N ATOM 138 HA HIS A 59 14.941 11.672 -5.177 1.00 0.00 H ATOM 139 HB2 HIS A 59 15.747 10.929 -3.171 1.00 0.00 H ATOM 140 HB3 HIS A 59 13.998 11.059 -2.871 1.00 0.00 H ATOM 141 HD2 HIS A 59 12.973 8.119 -3.728 1.00 0.00 H ATOM 142 HE1 HIS A 59 16.081 6.664 -1.194 1.00 0.00 H ATOM 143 H HIS A 59 12.602 9.794 -5.442 1.00 0.00 H ATOM 144 N LEU A 60 16.556 9.785 -5.784 1.00 13.89 N ATOM 145 CA LEU A 60 17.425 8.800 -6.398 1.00 13.82 C ATOM 146 C LEU A 60 18.444 8.378 -5.324 1.00 18.30 C ATOM 147 O LEU A 60 19.225 9.201 -4.837 1.00 21.12 O ATOM 148 CB LEU A 60 18.072 9.353 -7.655 1.00 16.05 C ATOM 149 CG LEU A 60 18.827 8.416 -8.590 1.00 23.15 C ATOM 150 CD1 LEU A 60 18.995 9.054 -9.976 1.00 21.89 C ATOM 151 CD2 LEU A 60 20.209 8.020 -8.067 1.00 19.27 C ATOM 152 HA LEU A 60 16.869 7.924 -6.732 1.00 0.00 H ATOM 153 HB2 LEU A 60 17.278 9.815 -8.243 1.00 0.00 H ATOM 154 HB3 LEU A 60 18.779 10.119 -7.336 1.00 0.00 H ATOM 155 HG LEU A 60 18.221 7.512 -8.652 1.00 0.00 H ATOM 156 HD21 LEU A 60 20.817 8.915 -7.938 1.00 0.00 H ATOM 157 HD22 LEU A 60 20.101 7.511 -7.109 1.00 0.00 H ATOM 158 HD23 LEU A 60 20.689 7.353 -8.783 1.00 0.00 H ATOM 159 HD11 LEU A 60 18.013 9.261 -10.401 1.00 0.00 H ATOM 160 HD12 LEU A 60 19.555 9.985 -9.881 1.00 0.00 H ATOM 161 HD13 LEU A 60 19.537 8.368 -10.627 1.00 0.00 H ATOM 162 H LEU A 60 16.986 10.630 -5.356 1.00 0.00 H ATOM 163 N LEU A 61 18.429 7.101 -4.970 1.00 16.29 N ATOM 164 CA LEU A 61 19.349 6.604 -3.936 1.00 20.00 C ATOM 165 C LEU A 61 20.506 5.830 -4.527 1.00 20.32 C ATOM 166 O LEU A 61 20.333 4.937 -5.363 1.00 17.32 O ATOM 167 CB LEU A 61 18.566 5.726 -2.950 1.00 16.83 C ATOM 168 CG LEU A 61 19.408 4.876 -1.985 1.00 18.74 C ATOM 169 CD1 LEU A 61 20.190 5.767 -1.027 1.00 23.43 C ATOM 170 CD2 LEU A 61 18.517 3.911 -1.229 1.00 13.88 C ATOM 171 HA LEU A 61 19.775 7.462 -3.416 1.00 0.00 H ATOM 172 HB2 LEU A 61 17.932 6.381 -2.351 1.00 0.00 H ATOM 173 HB3 LEU A 61 17.940 5.049 -3.531 1.00 0.00 H ATOM 174 HG LEU A 61 20.128 4.297 -2.563 1.00 0.00 H ATOM 175 HD21 LEU A 61 17.776 4.472 -0.659 1.00 0.00 H ATOM 176 HD22 LEU A 61 18.011 3.255 -1.937 1.00 0.00 H ATOM 177 HD23 LEU A 61 19.125 3.314 -0.549 1.00 0.00 H ATOM 178 HD11 LEU A 61 20.854 6.417 -1.597 1.00 0.00 H ATOM 179 HD12 LEU A 61 19.494 6.374 -0.448 1.00 0.00 H ATOM 180 HD13 LEU A 61 20.779 5.145 -0.353 1.00 0.00 H ATOM 181 H LEU A 61 17.762 6.446 -5.426 1.00 0.00 H ATOM 182 N VAL A 62 21.732 6.122 -4.101 1.00 16.87 N ATOM 183 CA VAL A 62 22.853 5.262 -4.475 1.00 16.92 C ATOM 184 C VAL A 62 23.429 4.644 -3.198 1.00 19.12 C ATOM 185 O VAL A 62 23.930 5.393 -2.362 1.00 19.00 O ATOM 186 CB VAL A 62 23.938 6.022 -5.243 1.00 22.47 C ATOM 187 CG1 VAL A 62 25.106 5.110 -5.612 1.00 22.47 C ATOM 188 CG2 VAL A 62 23.366 6.672 -6.504 1.00 15.95 C ATOM 189 HA VAL A 62 22.490 4.484 -5.147 1.00 0.00 H ATOM 190 HB VAL A 62 24.310 6.805 -4.582 1.00 0.00 H ATOM 191 HG11 VAL A 62 25.548 4.702 -4.703 1.00 0.00 H ATOM 192 HG12 VAL A 62 24.745 4.295 -6.240 1.00 0.00 H ATOM 193 HG13 VAL A 62 25.856 5.684 -6.156 1.00 0.00 H ATOM 194 HG21 VAL A 62 22.953 5.900 -7.154 1.00 0.00 H ATOM 195 HG22 VAL A 62 22.579 7.373 -6.225 1.00 0.00 H ATOM 196 HG23 VAL A 62 24.159 7.204 -7.029 1.00 0.00 H ATOM 197 H VAL A 62 21.892 6.959 -3.504 1.00 0.00 H ATOM 198 N LYS A 63 23.327 3.340 -3.033 1.00 15.43 N ATOM 199 CA LYS A 63 23.849 2.668 -1.843 1.00 18.55 C ATOM 200 C LYS A 63 25.333 2.360 -2.053 1.00 19.18 C ATOM 201 O LYS A 63 25.855 2.455 -3.168 1.00 15.27 O ATOM 202 CB LYS A 63 23.102 1.377 -1.522 1.00 13.35 C ATOM 203 CG LYS A 63 21.652 1.507 -1.074 1.00 16.69 C ATOM 204 CD LYS A 63 21.078 0.146 -0.724 1.00 15.94 C ATOM 205 CE LYS A 63 19.727 0.237 -0.044 1.00 13.94 C ATOM 206 NZ LYS A 63 19.260 -1.097 0.426 1.00 19.18 N ATOM 207 HA LYS A 63 23.708 3.340 -0.997 1.00 0.00 H ATOM 208 HB2 LYS A 63 23.114 0.758 -2.419 1.00 0.00 H ATOM 209 HB3 LYS A 63 23.648 0.871 -0.726 1.00 0.00 H ATOM 210 HG2 LYS A 63 21.604 2.153 -0.197 1.00 0.00 H ATOM 211 HG3 LYS A 63 21.065 1.947 -1.880 1.00 0.00 H ATOM 212 HD2 LYS A 63 20.969 -0.433 -1.641 1.00 0.00 H ATOM 213 HD3 LYS A 63 21.772 -0.363 -0.055 1.00 0.00 H ATOM 214 HE2 LYS A 63 19.001 0.638 -0.751 1.00 0.00 H ATOM 215 HE3 LYS A 63 19.806 0.907 0.812 1.00 0.00 H ATOM 216 HZ1 LYS A 63 19.177 -1.740 -0.387 1.00 0.00 H ATOM 217 HZ2 LYS A 63 19.946 -1.483 1.106 1.00 0.00 H ATOM 218 HZ3 LYS A 63 18.333 -0.996 0.886 1.00 0.00 H ATOM 219 H LYS A 63 22.862 2.773 -3.770 1.00 0.00 H ATOM 220 N HIS A 64 26.020 1.990 -0.977 1.00 17.68 N ATOM 221 CA HIS A 64 27.428 1.609 -1.076 1.00 11.29 C ATOM 222 C HIS A 64 27.623 0.427 -0.126 1.00 11.37 C ATOM 223 O HIS A 64 26.686 0.009 0.563 1.00 14.66 O ATOM 224 CB HIS A 64 28.382 2.754 -0.776 1.00 17.59 C ATOM 225 CG HIS A 64 28.021 3.546 0.444 1.00 22.16 C ATOM 226 ND1 HIS A 64 28.184 3.046 1.719 1.00 27.28 N ATOM 227 CD2 HIS A 64 27.503 4.788 0.597 1.00 20.01 C ATOM 228 CE1 HIS A 64 27.781 3.946 2.602 1.00 30.78 C ATOM 229 NE2 HIS A 64 27.364 5.017 1.946 1.00 25.27 N ATOM 230 HA HIS A 64 27.669 1.330 -2.102 1.00 0.00 H ATOM 231 HB2 HIS A 64 29.380 2.340 -0.633 1.00 0.00 H ATOM 232 HB3 HIS A 64 28.389 3.428 -1.633 1.00 0.00 H ATOM 233 HD2 HIS A 64 27.243 5.480 -0.204 1.00 0.00 H ATOM 234 HE1 HIS A 64 27.791 3.825 3.685 1.00 0.00 H ATOM 235 H HIS A 64 25.549 1.971 -0.050 1.00 0.00 H ATOM 236 N SER A 65 28.820 -0.137 -0.109 1.00 17.62 N ATOM 237 CA SER A 65 29.012 -1.354 0.670 1.00 13.57 C ATOM 238 C SER A 65 28.940 -1.109 2.172 1.00 21.43 C ATOM 239 O SER A 65 28.922 -2.073 2.942 1.00 18.83 O ATOM 240 CB SER A 65 30.363 -1.967 0.289 1.00 13.62 C ATOM 241 OG SER A 65 31.389 -1.006 0.520 1.00 21.42 O ATOM 242 HA SER A 65 28.200 -2.042 0.436 1.00 0.00 H ATOM 243 HB2 SER A 65 30.354 -2.247 -0.764 1.00 0.00 H ATOM 244 HB3 SER A 65 30.548 -2.853 0.897 1.00 0.00 H ATOM 245 HG SER A 65 32.266 -1.396 0.276 1.00 0.00 H ATOM 246 H SER A 65 29.610 0.281 -0.642 1.00 0.00 H ATOM 247 N GLN A 66 28.909 0.154 2.595 1.00 18.69 N ATOM 248 CA GLN A 66 28.857 0.427 4.036 1.00 22.34 C ATOM 249 C GLN A 66 27.475 0.941 4.401 1.00 27.92 C ATOM 250 O GLN A 66 27.244 1.444 5.496 1.00 21.73 O ATOM 251 CB GLN A 66 29.956 1.414 4.449 1.00 20.62 C ATOM 252 CG GLN A 66 31.328 0.755 4.402 1.00 20.64 C ATOM 253 CD GLN A 66 32.482 1.641 4.811 1.00 25.09 C ATOM 254 OE1 GLN A 66 33.067 2.304 3.957 1.00 25.11 O ATOM 255 NE2 GLN A 66 32.813 1.635 6.104 1.00 18.39 N ATOM 256 HA GLN A 66 29.040 -0.497 4.584 1.00 0.00 H ATOM 257 HB2 GLN A 66 29.946 2.265 3.768 1.00 0.00 H ATOM 258 HB3 GLN A 66 29.761 1.760 5.464 1.00 0.00 H ATOM 259 HG2 GLN A 66 31.311 -0.107 5.069 1.00 0.00 H ATOM 260 HG3 GLN A 66 31.506 0.419 3.381 1.00 0.00 H ATOM 261 HE22 GLN A 66 32.276 1.050 6.776 1.00 0.00 H ATOM 262 HE21 GLN A 66 33.608 2.215 6.440 1.00 0.00 H ATOM 263 H GLN A 66 28.922 0.938 1.912 1.00 0.00 H ATOM 264 N SER A 67 26.551 0.782 3.450 1.00 25.08 N ATOM 265 CA SER A 67 25.155 1.136 3.714 1.00 19.97 C ATOM 266 C SER A 67 24.556 0.190 4.741 1.00 16.26 C ATOM 267 O SER A 67 25.029 -0.932 4.927 1.00 20.54 O ATOM 268 CB SER A 67 24.296 1.091 2.446 1.00 18.38 C ATOM 269 OG SER A 67 24.681 2.057 1.492 1.00 26.37 O ATOM 270 HA SER A 67 25.157 2.158 4.093 1.00 0.00 H ATOM 271 HB2 SER A 67 23.257 1.268 2.722 1.00 0.00 H ATOM 272 HB3 SER A 67 24.388 0.102 1.997 1.00 0.00 H ATOM 273 HG SER A 67 25.622 1.901 1.227 1.00 0.00 H ATOM 274 H SER A 67 26.824 0.406 2.520 1.00 0.00 H ATOM 275 N ARG A 68 23.493 0.648 5.398 1.00 20.56 N ATOM 276 CA ARG A 68 22.902 -0.195 6.431 1.00 26.61 C ATOM 277 C ARG A 68 22.365 -1.468 5.806 1.00 31.28 C ATOM 278 O ARG A 68 22.342 -2.501 6.473 1.00 25.15 O ATOM 279 CB ARG A 68 21.802 0.531 7.192 1.00 31.10 C ATOM 280 CG ARG A 68 20.469 0.601 6.470 1.00 29.76 C ATOM 281 CD ARG A 68 19.543 1.535 7.239 1.00 32.18 C ATOM 282 NE ARG A 68 18.258 1.686 6.559 1.00 28.64 N ATOM 283 CZ ARG A 68 17.207 2.296 7.082 1.00 28.71 C ATOM 284 NH1 ARG A 68 16.093 2.367 6.364 1.00 33.03 N ATOM 285 NH2 ARG A 68 17.267 2.826 8.301 1.00 28.70 N ATOM 286 HA ARG A 68 23.681 -0.445 7.151 1.00 0.00 H ATOM 287 HB2 ARG A 68 21.648 0.016 8.140 1.00 0.00 H ATOM 288 HB3 ARG A 68 22.138 1.550 7.384 1.00 0.00 H ATOM 289 HG2 ARG A 68 20.619 0.983 5.460 1.00 0.00 H ATOM 290 HG3 ARG A 68 20.027 -0.394 6.419 1.00 0.00 H ATOM 291 HD2 ARG A 68 20.016 2.513 7.326 1.00 0.00 H ATOM 292 HD3 ARG A 68 19.372 1.126 8.235 1.00 0.00 H ATOM 293 HE ARG A 68 18.164 1.288 5.603 1.00 0.00 H ATOM 294 HH12 ARG A 68 15.253 2.841 6.753 1.00 0.00 H ATOM 295 HH11 ARG A 68 16.060 1.948 5.413 1.00 0.00 H ATOM 296 HH22 ARG A 68 16.435 3.303 8.702 1.00 0.00 H ATOM 297 HH21 ARG A 68 18.146 2.763 8.853 1.00 0.00 H ATOM 298 H ARG A 68 23.094 1.583 5.180 1.00 0.00 H ATOM 299 N ARG A 69 21.947 -1.395 4.538 1.00 23.58 N ATOM 300 CA ARG A 69 21.510 -2.663 3.942 1.00 22.84 C ATOM 301 C ARG A 69 22.035 -2.744 2.512 1.00 22.94 C ATOM 302 O ARG A 69 21.415 -2.295 1.555 1.00 24.44 O ATOM 303 CB ARG A 69 19.993 -2.834 3.997 1.00 30.21 C ATOM 304 CG ARG A 69 19.498 -4.068 3.243 1.00 40.70 C ATOM 305 CD ARG A 69 18.078 -4.445 3.624 1.00 45.83 C ATOM 306 NE ARG A 69 17.101 -3.556 2.999 1.00 49.49 N ATOM 307 CZ ARG A 69 16.751 -3.578 1.721 1.00 52.96 C ATOM 308 NH1 ARG A 69 17.286 -4.451 0.878 1.00 35.73 N ATOM 309 NH2 ARG A 69 15.846 -2.707 1.286 1.00 70.46 N ATOM 310 HA ARG A 69 21.923 -3.486 4.525 1.00 0.00 H ATOM 311 HB2 ARG A 69 19.692 -2.922 5.041 1.00 0.00 H ATOM 312 HB3 ARG A 69 19.528 -1.951 3.559 1.00 0.00 H ATOM 313 HG2 ARG A 69 19.531 -3.862 2.173 1.00 0.00 H ATOM 314 HG3 ARG A 69 20.157 -4.906 3.471 1.00 0.00 H ATOM 315 HD2 ARG A 69 17.973 -4.381 4.707 1.00 0.00 H ATOM 316 HD3 ARG A 69 17.884 -5.468 3.301 1.00 0.00 H ATOM 317 HE ARG A 69 16.643 -2.848 3.607 1.00 0.00 H ATOM 318 HH12 ARG A 69 16.998 -4.452 -0.121 1.00 0.00 H ATOM 319 HH11 ARG A 69 17.993 -5.134 1.216 1.00 0.00 H ATOM 320 HH22 ARG A 69 15.560 -2.710 0.286 1.00 0.00 H ATOM 321 HH21 ARG A 69 15.424 -2.022 1.945 1.00 0.00 H ATOM 322 H ARG A 69 21.933 -0.499 4.009 1.00 0.00 H ATOM 323 N PRO A 70 23.228 -3.323 2.396 1.00 21.86 N ATOM 324 CA PRO A 70 23.951 -3.279 1.132 1.00 15.34 C ATOM 325 C PRO A 70 23.382 -4.263 0.104 1.00 14.04 C ATOM 326 O PRO A 70 24.122 -5.087 -0.427 1.00 19.94 O ATOM 327 CB PRO A 70 25.386 -3.661 1.511 1.00 22.19 C ATOM 328 CG PRO A 70 25.366 -4.120 2.924 1.00 25.38 C ATOM 329 CD PRO A 70 23.964 -4.044 3.446 1.00 28.66 C ATOM 330 HA PRO A 70 23.878 -2.299 0.660 1.00 0.00 H ATOM 331 HD3 PRO A 70 23.551 -5.042 3.593 1.00 0.00 H ATOM 332 HD2 PRO A 70 23.931 -3.496 4.388 1.00 0.00 H ATOM 333 HG3 PRO A 70 26.014 -3.482 3.524 1.00 0.00 H ATOM 334 HG2 PRO A 70 25.720 -5.149 2.978 1.00 0.00 H ATOM 335 HB2 PRO A 70 25.742 -4.463 0.864 1.00 0.00 H ATOM 336 HB3 PRO A 70 26.041 -2.796 1.409 1.00 0.00 H ATOM 337 N SER A 71 22.088 -4.158 -0.187 1.00 21.16 N ATOM 338 CA SER A 71 21.499 -4.869 -1.326 1.00 22.46 C ATOM 339 C SER A 71 20.376 -4.014 -1.912 1.00 21.43 C ATOM 340 O SER A 71 19.891 -3.140 -1.198 1.00 18.22 O ATOM 341 CB SER A 71 20.975 -6.250 -0.942 1.00 18.65 C ATOM 342 OG SER A 71 19.967 -6.162 0.045 1.00 26.67 O ATOM 343 HA SER A 71 22.279 -5.030 -2.070 1.00 0.00 H ATOM 344 HB2 SER A 71 21.800 -6.848 -0.555 1.00 0.00 H ATOM 345 HB3 SER A 71 20.563 -6.733 -1.828 1.00 0.00 H ATOM 346 HG SER A 71 19.649 -7.072 0.272 1.00 0.00 H ATOM 347 H SER A 71 21.481 -3.558 0.407 1.00 0.00 H ATOM 348 N SER A 72 19.951 -4.222 -3.155 1.00 25.44 N ATOM 349 CA SER A 72 18.808 -3.483 -3.704 1.00 22.88 C ATOM 350 C SER A 72 18.064 -4.314 -4.750 1.00 19.18 C ATOM 351 O SER A 72 18.537 -5.370 -5.160 1.00 25.14 O ATOM 352 CB SER A 72 19.223 -2.157 -4.348 1.00 15.29 C ATOM 353 OG SER A 72 19.918 -2.398 -5.574 1.00 19.34 O ATOM 354 HA SER A 72 18.155 -3.273 -2.857 1.00 0.00 H ATOM 355 HB2 SER A 72 19.876 -1.614 -3.665 1.00 0.00 H ATOM 356 HB3 SER A 72 18.333 -1.561 -4.550 1.00 0.00 H ATOM 357 HG SER A 72 20.180 -1.533 -5.979 1.00 0.00 H ATOM 358 H SER A 72 20.438 -4.922 -3.750 1.00 0.00 H ATOM 359 N TRP A 73 16.907 -3.829 -5.199 1.00 22.22 N ATOM 360 CA TRP A 73 16.195 -4.541 -6.259 1.00 22.05 C ATOM 361 C TRP A 73 17.085 -4.754 -7.473 1.00 25.43 C ATOM 362 O TRP A 73 16.893 -5.722 -8.206 1.00 29.32 O ATOM 363 CB TRP A 73 14.925 -3.775 -6.676 1.00 20.80 C ATOM 364 CG TRP A 73 15.233 -2.450 -7.316 1.00 22.99 C ATOM 365 CD1 TRP A 73 15.338 -1.250 -6.665 1.00 20.57 C ATOM 366 CD2 TRP A 73 15.474 -2.165 -8.702 1.00 22.76 C ATOM 367 NE1 TRP A 73 15.631 -0.247 -7.567 1.00 19.72 N ATOM 368 CE2 TRP A 73 15.719 -0.784 -8.824 1.00 18.89 C ATOM 369 CE3 TRP A 73 15.508 -2.956 -9.855 1.00 21.29 C ATOM 370 CZ2 TRP A 73 15.990 -0.173 -10.050 1.00 20.10 C ATOM 371 CZ3 TRP A 73 15.777 -2.351 -11.067 1.00 23.33 C ATOM 372 CH2 TRP A 73 16.018 -0.972 -11.172 1.00 19.41 C ATOM 373 HA TRP A 73 15.909 -5.515 -5.862 1.00 0.00 H ATOM 374 HB2 TRP A 73 14.367 -4.385 -7.386 1.00 0.00 H ATOM 375 HB3 TRP A 73 14.315 -3.601 -5.790 1.00 0.00 H ATOM 376 HE1 TRP A 73 15.764 0.757 -7.330 1.00 0.00 H ATOM 377 HD1 TRP A 73 15.209 -1.108 -5.592 1.00 0.00 H ATOM 378 HZ2 TRP A 73 16.173 0.899 -10.117 1.00 0.00 H ATOM 379 HH2 TRP A 73 16.228 -0.531 -12.146 1.00 0.00 H ATOM 380 HZ3 TRP A 73 15.803 -2.962 -11.969 1.00 0.00 H ATOM 381 HE3 TRP A 73 15.326 -4.029 -9.798 1.00 0.00 H ATOM 382 H TRP A 73 16.514 -2.953 -4.799 1.00 0.00 H ATOM 383 N ARG A 74 18.039 -3.847 -7.722 1.00 23.21 N ATOM 384 CA ARG A 74 18.817 -3.950 -8.955 1.00 22.91 C ATOM 385 C ARG A 74 20.162 -4.635 -8.773 1.00 24.19 C ATOM 386 O ARG A 74 20.862 -4.874 -9.769 1.00 23.95 O ATOM 387 CB ARG A 74 19.022 -2.571 -9.586 1.00 29.65 C ATOM 388 CG ARG A 74 19.705 -1.535 -8.719 1.00 24.31 C ATOM 389 CD ARG A 74 19.821 -0.194 -9.429 1.00 19.32 C ATOM 390 NE ARG A 74 20.289 -0.319 -10.798 1.00 21.06 N ATOM 391 CZ ARG A 74 21.537 -0.459 -11.209 1.00 33.02 C ATOM 392 NH1 ARG A 74 22.545 -0.499 -10.342 1.00 43.03 N ATOM 393 NH2 ARG A 74 21.803 -0.562 -12.507 1.00 36.66 N ATOM 394 HA ARG A 74 18.229 -4.580 -9.622 1.00 0.00 H ATOM 395 HB2 ARG A 74 19.624 -2.702 -10.485 1.00 0.00 H ATOM 396 HB3 ARG A 74 18.042 -2.181 -9.861 1.00 0.00 H ATOM 397 HG2 ARG A 74 19.126 -1.402 -7.805 1.00 0.00 H ATOM 398 HG3 ARG A 74 20.705 -1.889 -8.466 1.00 0.00 H ATOM 399 HD2 ARG A 74 20.522 0.433 -8.877 1.00 0.00 H ATOM 400 HD3 ARG A 74 18.840 0.281 -9.438 1.00 0.00 H ATOM 401 HE ARG A 74 19.559 -0.296 -11.539 1.00 0.00 H ATOM 402 HH12 ARG A 74 23.521 -0.610 -10.684 1.00 0.00 H ATOM 403 HH11 ARG A 74 22.357 -0.420 -9.322 1.00 0.00 H ATOM 404 HH22 ARG A 74 22.786 -0.672 -12.829 1.00 0.00 H ATOM 405 HH21 ARG A 74 21.029 -0.532 -13.200 1.00 0.00 H ATOM 406 H ARG A 74 18.224 -3.079 -7.046 1.00 0.00 H ATOM 407 N GLN A 75 20.538 -4.962 -7.540 1.00 20.08 N ATOM 408 CA GLN A 75 21.878 -5.538 -7.324 1.00 25.31 C ATOM 409 C GLN A 75 21.878 -6.378 -6.058 1.00 25.97 C ATOM 410 O GLN A 75 21.566 -5.897 -4.964 1.00 28.55 O ATOM 411 CB GLN A 75 22.905 -4.406 -7.297 1.00 25.10 C ATOM 412 CG GLN A 75 24.356 -4.809 -7.289 1.00 25.17 C ATOM 413 CD GLN A 75 25.376 -3.707 -7.456 1.00 18.11 C ATOM 414 OE1 GLN A 75 25.224 -2.526 -7.114 1.00 19.52 O ATOM 415 NE2 GLN A 75 26.526 -4.084 -8.013 1.00 18.11 N ATOM 416 HA GLN A 75 22.152 -6.207 -8.139 1.00 0.00 H ATOM 417 HB2 GLN A 75 22.739 -3.788 -8.179 1.00 0.00 H ATOM 418 HB3 GLN A 75 22.721 -3.814 -6.400 1.00 0.00 H ATOM 419 HG2 GLN A 75 24.556 -5.300 -6.337 1.00 0.00 H ATOM 420 HG3 GLN A 75 24.504 -5.520 -8.102 1.00 0.00 H ATOM 421 HE22 GLN A 75 26.663 -5.073 -8.304 1.00 0.00 H ATOM 422 HE21 GLN A 75 27.286 -3.389 -8.157 1.00 0.00 H ATOM 423 H GLN A 75 19.894 -4.813 -6.737 1.00 0.00 H ATOM 424 N GLU A 76 22.213 -7.661 -6.166 1.00 22.25 N ATOM 425 CA GLU A 76 22.076 -8.544 -5.000 1.00 23.93 C ATOM 426 C GLU A 76 23.034 -8.149 -3.883 1.00 19.81 C ATOM 427 O GLU A 76 22.654 -8.222 -2.716 1.00 24.77 O ATOM 428 CB GLU A 76 22.254 -10.006 -5.391 1.00 33.39 C ATOM 429 CG GLU A 76 23.534 -10.689 -4.973 1.00 44.51 C ATOM 430 CD GLU A 76 23.947 -11.786 -5.947 1.00 52.34 C ATOM 431 OE1 GLU A 76 25.129 -11.802 -6.370 1.00 33.59 O ATOM 432 OE2 GLU A 76 23.072 -12.619 -6.282 1.00 29.67 O ATOM 433 HA GLU A 76 21.063 -8.424 -4.617 1.00 0.00 H ATOM 434 HB2 GLU A 76 21.427 -10.565 -4.952 1.00 0.00 H ATOM 435 HB3 GLU A 76 22.193 -10.063 -6.478 1.00 0.00 H ATOM 436 HG2 GLU A 76 24.329 -9.945 -4.924 1.00 0.00 H ATOM 437 HG3 GLU A 76 23.390 -11.131 -3.987 1.00 0.00 H ATOM 438 H GLU A 76 22.569 -8.036 -7.068 1.00 0.00 H ATOM 439 N GLN A 77 24.238 -7.722 -4.223 1.00 27.80 N ATOM 440 CA GLN A 77 25.159 -7.190 -3.232 1.00 23.81 C ATOM 441 C GLN A 77 25.709 -5.842 -3.680 1.00 22.61 C ATOM 442 O GLN A 77 26.284 -5.721 -4.760 1.00 20.89 O ATOM 443 CB GLN A 77 26.329 -8.134 -2.966 1.00 26.79 C ATOM 444 CG GLN A 77 27.368 -7.492 -2.032 1.00 25.59 C ATOM 445 CD GLN A 77 28.063 -8.576 -1.219 1.00 22.14 C ATOM 446 OE1 GLN A 77 29.044 -9.163 -1.682 1.00 32.38 O ATOM 447 NE2 GLN A 77 27.546 -8.835 -0.029 1.00 30.83 N ATOM 448 HA GLN A 77 24.590 -7.076 -2.309 1.00 0.00 H ATOM 449 HB2 GLN A 77 25.951 -9.046 -2.503 1.00 0.00 H ATOM 450 HB3 GLN A 77 26.808 -8.381 -3.913 1.00 0.00 H ATOM 451 HG2 GLN A 77 28.107 -6.954 -2.626 1.00 0.00 H ATOM 452 HG3 GLN A 77 26.869 -6.796 -1.358 1.00 0.00 H ATOM 453 HE22 GLN A 77 26.716 -8.304 0.304 1.00 0.00 H ATOM 454 HE21 GLN A 77 27.969 -9.570 0.573 1.00 0.00 H ATOM 455 H GLN A 77 24.532 -7.768 -5.219 1.00 0.00 H ATOM 456 N ILE A 78 25.534 -4.809 -2.847 1.00 22.09 N ATOM 457 CA ILE A 78 26.126 -3.533 -3.260 1.00 19.90 C ATOM 458 C ILE A 78 27.636 -3.583 -3.029 1.00 25.70 C ATOM 459 O ILE A 78 28.119 -3.693 -1.898 1.00 25.66 O ATOM 460 CB ILE A 78 25.507 -2.338 -2.530 1.00 15.26 C ATOM 461 CG1 ILE A 78 23.979 -2.212 -2.622 1.00 17.55 C ATOM 462 CG2 ILE A 78 26.161 -1.043 -3.003 1.00 16.74 C ATOM 463 CD1 ILE A 78 23.497 -2.026 -4.045 1.00 19.46 C ATOM 464 HA ILE A 78 25.916 -3.390 -4.320 1.00 0.00 H ATOM 465 HB ILE A 78 25.709 -2.525 -1.475 1.00 0.00 H ATOM 466 HG12 ILE A 78 23.528 -3.117 -2.216 1.00 0.00 H ATOM 467 HG13 ILE A 78 23.663 -1.353 -2.030 1.00 0.00 H ATOM 468 HD11 ILE A 78 23.935 -1.118 -4.460 1.00 0.00 H ATOM 469 HD12 ILE A 78 23.800 -2.884 -4.645 1.00 0.00 H ATOM 470 HD13 ILE A 78 22.410 -1.943 -4.051 1.00 0.00 H ATOM 471 HG21 ILE A 78 27.230 -1.079 -2.792 1.00 0.00 H ATOM 472 HG22 ILE A 78 26.005 -0.929 -4.076 1.00 0.00 H ATOM 473 HG23 ILE A 78 25.714 -0.199 -2.478 1.00 0.00 H ATOM 474 H ILE A 78 25.007 -4.906 -1.956 1.00 0.00 H ATOM 475 N THR A 79 28.415 -3.508 -4.107 1.00 19.65 N ATOM 476 CA THR A 79 29.861 -3.628 -3.942 1.00 23.66 C ATOM 477 C THR A 79 30.576 -2.308 -4.127 1.00 23.75 C ATOM 478 O THR A 79 31.785 -2.199 -3.874 1.00 24.75 O ATOM 479 CB THR A 79 30.430 -4.657 -4.943 1.00 26.03 C ATOM 480 OG1 THR A 79 30.137 -4.204 -6.273 1.00 25.66 O ATOM 481 CG2 THR A 79 29.783 -6.023 -4.755 1.00 18.31 C ATOM 482 HA THR A 79 30.034 -3.962 -2.919 1.00 0.00 H ATOM 483 HB THR A 79 31.503 -4.749 -4.776 1.00 0.00 H ATOM 484 HG1 THR A 79 30.557 -3.320 -6.419 1.00 0.00 H ATOM 485 HG23 THR A 79 29.993 -6.388 -3.749 1.00 0.00 H ATOM 486 HG21 THR A 79 28.705 -5.935 -4.894 1.00 0.00 H ATOM 487 HG22 THR A 79 30.189 -6.720 -5.488 1.00 0.00 H ATOM 488 H THR A 79 28.000 -3.366 -5.050 1.00 0.00 H ATOM 489 N ARG A 80 29.882 -1.254 -4.569 1.00 14.58 N ATOM 490 CA ARG A 80 30.636 -0.031 -4.838 1.00 13.50 C ATOM 491 C ARG A 80 31.065 0.639 -3.526 1.00 14.21 C ATOM 492 O ARG A 80 30.356 0.462 -2.535 1.00 15.72 O ATOM 493 CB ARG A 80 29.843 0.959 -5.690 1.00 17.48 C ATOM 494 CG ARG A 80 28.649 1.592 -4.986 1.00 14.81 C ATOM 495 CD ARG A 80 28.016 2.649 -5.905 1.00 20.58 C ATOM 496 NE ARG A 80 27.236 2.008 -6.964 1.00 18.71 N ATOM 497 CZ ARG A 80 26.015 1.504 -6.874 1.00 16.56 C ATOM 498 NH1 ARG A 80 25.290 1.506 -5.772 1.00 15.36 N ATOM 499 NH2 ARG A 80 25.463 0.951 -7.958 1.00 22.45 N ATOM 500 HA ARG A 80 31.522 -0.322 -5.403 1.00 0.00 H ATOM 501 HB2 ARG A 80 30.517 1.757 -5.999 1.00 0.00 H ATOM 502 HB3 ARG A 80 29.478 0.432 -6.571 1.00 0.00 H ATOM 503 HG2 ARG A 80 27.913 0.822 -4.755 1.00 0.00 H ATOM 504 HG3 ARG A 80 28.980 2.065 -4.062 1.00 0.00 H ATOM 505 HD2 ARG A 80 28.805 3.252 -6.355 1.00 0.00 H ATOM 506 HD3 ARG A 80 27.361 3.291 -5.316 1.00 0.00 H ATOM 507 HE ARG A 80 27.694 1.940 -7.895 1.00 0.00 H ATOM 508 HH12 ARG A 80 24.336 1.091 -5.776 1.00 0.00 H ATOM 509 HH11 ARG A 80 25.672 1.923 -4.899 1.00 0.00 H ATOM 510 HH22 ARG A 80 24.505 0.550 -7.906 1.00 0.00 H ATOM 511 HH21 ARG A 80 25.992 0.922 -8.853 1.00 0.00 H ATOM 512 H ARG A 80 28.853 -1.302 -4.715 1.00 0.00 H ATOM 513 N THR A 81 32.181 1.373 -3.567 1.00 22.55 N ATOM 514 CA THR A 81 32.687 2.082 -2.397 1.00 22.56 C ATOM 515 C THR A 81 31.885 3.357 -2.167 1.00 33.13 C ATOM 516 O THR A 81 31.292 3.884 -3.109 1.00 20.34 O ATOM 517 CB THR A 81 34.156 2.534 -2.487 1.00 16.15 C ATOM 518 OG1 THR A 81 34.255 3.568 -3.489 1.00 19.41 O ATOM 519 CG2 THR A 81 35.074 1.403 -2.896 1.00 15.75 C ATOM 520 HA THR A 81 32.595 1.352 -1.593 1.00 0.00 H ATOM 521 HB THR A 81 34.459 2.887 -1.501 1.00 0.00 H ATOM 522 HG1 THR A 81 35.195 3.869 -3.559 1.00 0.00 H ATOM 523 HG23 THR A 81 35.019 0.606 -2.155 1.00 0.00 H ATOM 524 HG21 THR A 81 34.765 1.019 -3.868 1.00 0.00 H ATOM 525 HG22 THR A 81 36.098 1.772 -2.959 1.00 0.00 H ATOM 526 H THR A 81 32.706 1.441 -4.462 1.00 0.00 H ATOM 527 N GLN A 82 31.899 3.853 -0.924 1.00 31.16 N ATOM 528 CA GLN A 82 31.115 5.087 -0.728 1.00 24.74 C ATOM 529 C GLN A 82 31.734 6.201 -1.555 1.00 22.52 C ATOM 530 O GLN A 82 31.012 7.075 -2.052 1.00 22.12 O ATOM 531 CB GLN A 82 30.968 5.409 0.752 1.00 29.70 C ATOM 532 CG GLN A 82 32.220 5.773 1.501 1.00 32.73 C ATOM 533 CD GLN A 82 32.077 5.904 3.004 1.00 36.39 C ATOM 534 OE1 GLN A 82 30.995 6.049 3.570 1.00 34.55 O ATOM 535 NE2 GLN A 82 33.228 5.859 3.682 1.00 35.61 N ATOM 536 HA GLN A 82 30.094 4.956 -1.086 1.00 0.00 H ATOM 537 HB2 GLN A 82 30.277 6.248 0.839 1.00 0.00 H ATOM 538 HB3 GLN A 82 30.537 4.533 1.238 1.00 0.00 H ATOM 539 HG2 GLN A 82 32.965 5.002 1.302 1.00 0.00 H ATOM 540 HG3 GLN A 82 32.575 6.728 1.114 1.00 0.00 H ATOM 541 HE22 GLN A 82 34.127 5.735 3.173 1.00 0.00 H ATOM 542 HE21 GLN A 82 33.225 5.948 4.718 1.00 0.00 H ATOM 543 H GLN A 82 32.426 3.400 -0.150 1.00 0.00 H ATOM 544 N GLU A 83 33.049 6.227 -1.768 1.00 14.62 N ATOM 545 CA GLU A 83 33.598 7.256 -2.646 1.00 17.20 C ATOM 546 C GLU A 83 32.991 7.184 -4.050 1.00 27.23 C ATOM 547 O GLU A 83 32.667 8.196 -4.679 1.00 22.48 O ATOM 548 CB GLU A 83 35.129 7.124 -2.762 1.00 18.19 C ATOM 549 CG GLU A 83 35.676 8.042 -3.848 1.00 26.57 C ATOM 550 CD GLU A 83 37.167 8.272 -3.804 1.00 45.31 C ATOM 551 OE1 GLU A 83 37.915 7.432 -4.350 1.00 43.24 O ATOM 552 OE2 GLU A 83 37.608 9.297 -3.236 1.00 60.70 O ATOM 553 HA GLU A 83 33.344 8.217 -2.198 1.00 0.00 H ATOM 554 HB2 GLU A 83 35.583 7.390 -1.808 1.00 0.00 H ATOM 555 HB3 GLU A 83 35.380 6.092 -3.007 1.00 0.00 H ATOM 556 HG2 GLU A 83 35.430 7.604 -4.815 1.00 0.00 H ATOM 557 HG3 GLU A 83 35.182 9.009 -3.753 1.00 0.00 H ATOM 558 H GLU A 83 33.673 5.527 -1.317 1.00 0.00 H ATOM 559 N GLU A 84 32.847 5.958 -4.552 1.00 26.21 N ATOM 560 CA GLU A 84 32.278 5.714 -5.872 1.00 19.31 C ATOM 561 C GLU A 84 30.811 6.113 -5.891 1.00 20.07 C ATOM 562 O GLU A 84 30.321 6.680 -6.868 1.00 22.09 O ATOM 563 CB GLU A 84 32.426 4.240 -6.259 1.00 25.41 C ATOM 564 CG GLU A 84 33.819 3.931 -6.793 1.00 23.49 C ATOM 565 CD GLU A 84 34.148 2.455 -6.853 1.00 24.48 C ATOM 566 OE1 GLU A 84 33.331 1.631 -6.415 1.00 22.03 O ATOM 567 OE2 GLU A 84 35.251 2.116 -7.342 1.00 34.48 O ATOM 568 HA GLU A 84 32.820 6.319 -6.599 1.00 0.00 H ATOM 569 HB2 GLU A 84 32.241 3.624 -5.379 1.00 0.00 H ATOM 570 HB3 GLU A 84 31.692 4.002 -7.029 1.00 0.00 H ATOM 571 HG2 GLU A 84 33.898 4.340 -7.800 1.00 0.00 H ATOM 572 HG3 GLU A 84 34.549 4.418 -6.146 1.00 0.00 H ATOM 573 H GLU A 84 33.152 5.144 -3.981 1.00 0.00 H ATOM 574 N ALA A 85 30.104 5.830 -4.806 1.00 15.41 N ATOM 575 CA ALA A 85 28.683 6.193 -4.746 1.00 18.25 C ATOM 576 C ALA A 85 28.505 7.698 -4.839 1.00 25.37 C ATOM 577 O ALA A 85 27.608 8.197 -5.529 1.00 20.16 O ATOM 578 CB ALA A 85 28.075 5.619 -3.483 1.00 19.94 C ATOM 579 HA ALA A 85 28.158 5.767 -5.601 1.00 0.00 H ATOM 580 HB1 ALA A 85 28.176 4.534 -3.494 1.00 0.00 H ATOM 581 HB2 ALA A 85 28.594 6.025 -2.615 1.00 0.00 H ATOM 582 HB3 ALA A 85 27.019 5.887 -3.435 1.00 0.00 H ATOM 583 H ALA A 85 30.555 5.352 -4.000 1.00 0.00 H ATOM 584 N LEU A 86 29.349 8.476 -4.164 1.00 13.92 N ATOM 585 CA LEU A 86 29.222 9.929 -4.255 1.00 15.16 C ATOM 586 C LEU A 86 29.644 10.450 -5.621 1.00 18.84 C ATOM 587 O LEU A 86 29.038 11.437 -6.061 1.00 20.03 O ATOM 588 CB LEU A 86 30.034 10.652 -3.177 1.00 18.48 C ATOM 589 CG LEU A 86 29.895 12.168 -3.074 1.00 18.38 C ATOM 590 CD1 LEU A 86 28.462 12.642 -2.918 1.00 18.97 C ATOM 591 CD2 LEU A 86 30.681 12.670 -1.861 1.00 21.33 C ATOM 592 HA LEU A 86 28.164 10.141 -4.100 1.00 0.00 H ATOM 593 HB2 LEU A 86 29.741 10.233 -2.214 1.00 0.00 H ATOM 594 HB3 LEU A 86 31.086 10.434 -3.362 1.00 0.00 H ATOM 595 HG LEU A 86 30.280 12.568 -4.012 1.00 0.00 H ATOM 596 HD21 LEU A 86 30.287 12.206 -0.957 1.00 0.00 H ATOM 597 HD22 LEU A 86 31.733 12.408 -1.977 1.00 0.00 H ATOM 598 HD23 LEU A 86 30.581 13.753 -1.788 1.00 0.00 H ATOM 599 HD11 LEU A 86 27.878 12.321 -3.781 1.00 0.00 H ATOM 600 HD12 LEU A 86 28.036 12.215 -2.010 1.00 0.00 H ATOM 601 HD13 LEU A 86 28.446 13.730 -2.852 1.00 0.00 H ATOM 602 H LEU A 86 30.094 8.052 -3.575 1.00 0.00 H ATOM 603 N GLU A 87 30.634 9.837 -6.255 1.00 17.95 N ATOM 604 CA GLU A 87 31.010 10.210 -7.613 1.00 17.82 C ATOM 605 C GLU A 87 29.804 10.078 -8.559 1.00 19.94 C ATOM 606 O GLU A 87 29.504 10.948 -9.381 1.00 23.97 O ATOM 607 CB GLU A 87 32.147 9.362 -8.164 1.00 24.45 C ATOM 608 CG GLU A 87 33.399 9.225 -7.325 1.00 46.88 C ATOM 609 CD GLU A 87 34.581 8.591 -8.037 1.00 54.94 C ATOM 610 OE1 GLU A 87 35.721 9.102 -7.913 1.00 59.74 O ATOM 611 OE2 GLU A 87 34.416 7.564 -8.733 1.00 59.31 O ATOM 612 HA GLU A 87 31.349 11.245 -7.561 1.00 0.00 H ATOM 613 HB2 GLU A 87 31.754 8.359 -8.328 1.00 0.00 H ATOM 614 HB3 GLU A 87 32.442 9.796 -9.120 1.00 0.00 H ATOM 615 HG2 GLU A 87 33.696 10.220 -6.995 1.00 0.00 H ATOM 616 HG3 GLU A 87 33.159 8.613 -6.456 1.00 0.00 H ATOM 617 H GLU A 87 31.153 9.075 -5.774 1.00 0.00 H ATOM 618 N LEU A 88 29.096 8.966 -8.454 1.00 20.06 N ATOM 619 CA LEU A 88 27.900 8.713 -9.252 1.00 23.07 C ATOM 620 C LEU A 88 26.827 9.771 -9.044 1.00 21.02 C ATOM 621 O LEU A 88 26.231 10.308 -9.977 1.00 20.03 O ATOM 622 CB LEU A 88 27.334 7.336 -8.884 1.00 21.00 C ATOM 623 CG LEU A 88 27.978 6.175 -9.639 1.00 25.17 C ATOM 624 CD1 LEU A 88 27.866 4.885 -8.840 1.00 20.05 C ATOM 625 CD2 LEU A 88 27.335 6.030 -11.016 1.00 29.13 C ATOM 626 HA LEU A 88 28.190 8.746 -10.302 1.00 0.00 H ATOM 627 HB2 LEU A 88 27.486 7.177 -7.816 1.00 0.00 H ATOM 628 HB3 LEU A 88 26.266 7.335 -9.101 1.00 0.00 H ATOM 629 HG LEU A 88 29.039 6.386 -9.775 1.00 0.00 H ATOM 630 HD21 LEU A 88 26.269 5.836 -10.899 1.00 0.00 H ATOM 631 HD22 LEU A 88 27.478 6.951 -11.581 1.00 0.00 H ATOM 632 HD23 LEU A 88 27.800 5.200 -11.547 1.00 0.00 H ATOM 633 HD11 LEU A 88 28.372 5.007 -7.882 1.00 0.00 H ATOM 634 HD12 LEU A 88 26.814 4.655 -8.670 1.00 0.00 H ATOM 635 HD13 LEU A 88 28.331 4.072 -9.398 1.00 0.00 H ATOM 636 H LEU A 88 29.404 8.241 -7.775 1.00 0.00 H ATOM 637 N ILE A 89 26.549 10.089 -7.783 1.00 21.96 N ATOM 638 CA ILE A 89 25.574 11.112 -7.424 1.00 20.92 C ATOM 639 C ILE A 89 25.956 12.464 -7.995 1.00 21.33 C ATOM 640 O ILE A 89 25.127 13.212 -8.537 1.00 19.04 O ATOM 641 CB ILE A 89 25.414 11.146 -5.883 1.00 20.03 C ATOM 642 CG1 ILE A 89 24.502 10.017 -5.385 1.00 24.87 C ATOM 643 CG2 ILE A 89 24.956 12.500 -5.358 1.00 12.48 C ATOM 644 CD1 ILE A 89 23.016 10.315 -5.393 1.00 15.44 C ATOM 645 HA ILE A 89 24.608 10.862 -7.863 1.00 0.00 H ATOM 646 HB ILE A 89 26.411 10.981 -5.474 1.00 0.00 H ATOM 647 HG12 ILE A 89 24.672 9.146 -6.018 1.00 0.00 H ATOM 648 HG13 ILE A 89 24.790 9.782 -4.361 1.00 0.00 H ATOM 649 HD11 ILE A 89 22.815 11.174 -4.752 1.00 0.00 H ATOM 650 HD12 ILE A 89 22.697 10.538 -6.411 1.00 0.00 H ATOM 651 HD13 ILE A 89 22.471 9.447 -5.021 1.00 0.00 H ATOM 652 HG21 ILE A 89 25.688 13.260 -5.631 1.00 0.00 H ATOM 653 HG22 ILE A 89 23.990 12.750 -5.796 1.00 0.00 H ATOM 654 HG23 ILE A 89 24.864 12.455 -4.273 1.00 0.00 H ATOM 655 H ILE A 89 27.048 9.587 -7.021 1.00 0.00 H ATOM 656 N ASN A 90 27.243 12.828 -7.902 1.00 16.55 N ATOM 657 CA ASN A 90 27.605 14.145 -8.419 1.00 19.05 C ATOM 658 C ASN A 90 27.556 14.128 -9.949 1.00 15.47 C ATOM 659 O ASN A 90 27.275 15.158 -10.552 1.00 21.03 O ATOM 660 CB ASN A 90 28.986 14.585 -7.933 1.00 20.79 C ATOM 661 CG ASN A 90 28.987 15.106 -6.511 1.00 22.61 C ATOM 662 OD1 ASN A 90 28.086 15.834 -6.111 1.00 22.84 O ATOM 663 ND2 ASN A 90 29.991 14.745 -5.711 1.00 17.28 N ATOM 664 HA ASN A 90 26.883 14.869 -8.040 1.00 0.00 H ATOM 665 HB2 ASN A 90 29.660 13.730 -7.988 1.00 0.00 H ATOM 666 HB3 ASN A 90 29.348 15.375 -8.591 1.00 0.00 H ATOM 667 HD22 ASN A 90 30.746 14.126 -6.071 1.00 0.00 H ATOM 668 HD21 ASN A 90 30.019 15.082 -4.728 1.00 0.00 H ATOM 669 H ASN A 90 27.954 12.198 -7.479 1.00 0.00 H ATOM 670 N GLY A 91 27.837 12.975 -10.535 1.00 15.45 N ATOM 671 CA GLY A 91 27.746 12.789 -11.979 1.00 17.32 C ATOM 672 C GLY A 91 26.300 13.025 -12.412 1.00 28.15 C ATOM 673 O GLY A 91 26.028 13.702 -13.409 1.00 29.11 O ATOM 674 HA3 GLY A 91 28.046 11.774 -12.238 1.00 0.00 H ATOM 675 HA2 GLY A 91 28.401 13.500 -12.483 1.00 0.00 H ATOM 676 H GLY A 91 28.134 12.172 -9.944 1.00 0.00 H ATOM 677 N TYR A 92 25.381 12.475 -11.627 1.00 20.41 N ATOM 678 CA TYR A 92 23.951 12.577 -11.927 1.00 23.06 C ATOM 679 C TYR A 92 23.486 14.022 -11.799 1.00 27.64 C ATOM 680 O TYR A 92 22.745 14.522 -12.650 1.00 22.40 O ATOM 681 CB TYR A 92 23.091 11.692 -11.028 1.00 18.65 C ATOM 682 CG TYR A 92 23.283 10.203 -11.211 1.00 16.91 C ATOM 683 CD1 TYR A 92 23.647 9.639 -12.422 1.00 25.83 C ATOM 684 CD2 TYR A 92 23.087 9.337 -10.147 1.00 12.96 C ATOM 685 CE1 TYR A 92 23.816 8.274 -12.569 1.00 29.23 C ATOM 686 CE2 TYR A 92 23.252 7.971 -10.275 1.00 14.87 C ATOM 687 CZ TYR A 92 23.617 7.441 -11.487 1.00 24.89 C ATOM 688 OH TYR A 92 23.773 6.085 -11.605 1.00 25.68 O ATOM 689 HA TYR A 92 23.825 12.228 -12.952 1.00 0.00 H ATOM 690 HB3 TYR A 92 22.045 11.924 -11.228 1.00 0.00 H ATOM 691 HB2 TYR A 92 23.324 11.937 -9.992 1.00 0.00 H ATOM 692 HD2 TYR A 92 22.794 9.746 -9.180 1.00 0.00 H ATOM 693 HE2 TYR A 92 23.093 7.318 -9.417 1.00 0.00 H ATOM 694 HE1 TYR A 92 24.105 7.859 -13.534 1.00 0.00 H ATOM 695 HD1 TYR A 92 23.805 10.288 -13.283 1.00 0.00 H ATOM 696 HH TYR A 92 24.036 5.864 -12.534 1.00 0.00 H ATOM 697 H TYR A 92 25.685 11.958 -10.777 1.00 0.00 H ATOM 698 N ILE A 93 23.928 14.671 -10.723 1.00 20.99 N ATOM 699 CA ILE A 93 23.592 16.086 -10.539 1.00 23.98 C ATOM 700 C ILE A 93 24.033 16.928 -11.726 1.00 25.17 C ATOM 701 O ILE A 93 23.305 17.802 -12.214 1.00 18.85 O ATOM 702 CB ILE A 93 24.237 16.629 -9.241 1.00 22.89 C ATOM 703 CG1 ILE A 93 23.638 15.999 -7.975 1.00 23.21 C ATOM 704 CG2 ILE A 93 24.181 18.145 -9.178 1.00 17.78 C ATOM 705 CD1 ILE A 93 24.429 16.287 -6.710 1.00 19.54 C ATOM 706 HA ILE A 93 22.507 16.156 -10.461 1.00 0.00 H ATOM 707 HB ILE A 93 25.286 16.334 -9.275 1.00 0.00 H ATOM 708 HG12 ILE A 93 22.628 16.386 -7.844 1.00 0.00 H ATOM 709 HG13 ILE A 93 23.596 14.919 -8.116 1.00 0.00 H ATOM 710 HD11 ILE A 93 25.440 15.895 -6.818 1.00 0.00 H ATOM 711 HD12 ILE A 93 24.471 17.364 -6.546 1.00 0.00 H ATOM 712 HD13 ILE A 93 23.941 15.808 -5.861 1.00 0.00 H ATOM 713 HG21 ILE A 93 24.718 18.563 -10.030 1.00 0.00 H ATOM 714 HG22 ILE A 93 23.141 18.470 -9.207 1.00 0.00 H ATOM 715 HG23 ILE A 93 24.644 18.486 -8.252 1.00 0.00 H ATOM 716 H ILE A 93 24.509 14.176 -10.017 1.00 0.00 H ATOM 717 N GLN A 94 25.250 16.693 -12.233 1.00 19.27 N ATOM 718 CA GLN A 94 25.729 17.584 -13.303 1.00 25.52 C ATOM 719 C GLN A 94 25.038 17.322 -14.644 1.00 29.32 C ATOM 720 O GLN A 94 24.920 18.249 -15.455 1.00 26.29 O ATOM 721 CB GLN A 94 27.243 17.469 -13.466 1.00 29.42 C ATOM 722 CG GLN A 94 28.038 17.802 -12.213 1.00 40.04 C ATOM 723 CD GLN A 94 27.756 19.173 -11.633 1.00 38.39 C ATOM 724 OE1 GLN A 94 27.889 20.199 -12.305 1.00 41.42 O ATOM 725 NE2 GLN A 94 27.369 19.217 -10.363 1.00 30.07 N ATOM 726 HA GLN A 94 25.473 18.599 -12.998 1.00 0.00 H ATOM 727 HB2 GLN A 94 27.478 16.445 -13.757 1.00 0.00 H ATOM 728 HB3 GLN A 94 27.553 18.151 -14.258 1.00 0.00 H ATOM 729 HG2 GLN A 94 27.804 17.056 -11.453 1.00 0.00 H ATOM 730 HG3 GLN A 94 29.099 17.748 -12.459 1.00 0.00 H ATOM 731 HE22 GLN A 94 27.265 18.336 -9.820 1.00 0.00 H ATOM 732 HE21 GLN A 94 27.170 20.132 -9.911 1.00 0.00 H ATOM 733 H GLN A 94 25.836 15.909 -11.883 1.00 0.00 H ATOM 734 N LYS A 95 24.593 16.100 -14.890 1.00 20.88 N ATOM 735 CA LYS A 95 23.877 15.729 -16.105 1.00 29.34 C ATOM 736 C LYS A 95 22.465 16.307 -16.092 1.00 26.34 C ATOM 737 O LYS A 95 21.923 16.719 -17.122 1.00 28.21 O ATOM 738 CB LYS A 95 23.788 14.211 -16.261 1.00 23.37 C ATOM 739 CG LYS A 95 25.041 13.564 -16.832 1.00 24.41 C ATOM 740 CD LYS A 95 25.208 12.172 -16.238 1.00 34.10 C ATOM 741 CE LYS A 95 26.328 11.404 -16.924 1.00 41.94 C ATOM 742 NZ LYS A 95 27.162 12.296 -17.776 1.00 53.45 N ATOM 743 HA LYS A 95 24.437 16.138 -16.946 1.00 0.00 H ATOM 744 HB2 LYS A 95 23.597 13.778 -15.279 1.00 0.00 H ATOM 745 HB3 LYS A 95 22.954 13.984 -16.925 1.00 0.00 H ATOM 746 HG2 LYS A 95 24.950 13.489 -17.916 1.00 0.00 H ATOM 747 HG3 LYS A 95 25.910 14.172 -16.583 1.00 0.00 H ATOM 748 HD2 LYS A 95 25.440 12.265 -15.177 1.00 0.00 H ATOM 749 HD3 LYS A 95 24.275 11.621 -16.358 1.00 0.00 H ATOM 750 HE2 LYS A 95 25.892 10.624 -17.548 1.00 0.00 H ATOM 751 HE3 LYS A 95 26.961 10.947 -16.164 1.00 0.00 H ATOM 752 HZ1 LYS A 95 26.565 12.731 -18.508 1.00 0.00 H ATOM 753 HZ2 LYS A 95 27.587 13.040 -17.186 1.00 0.00 H ATOM 754 HZ3 LYS A 95 27.915 11.738 -18.227 1.00 0.00 H ATOM 755 H LYS A 95 24.764 15.363 -14.177 1.00 0.00 H ATOM 756 N ILE A 96 21.885 16.321 -14.897 1.00 19.66 N ATOM 757 CA ILE A 96 20.551 16.909 -14.730 1.00 19.74 C ATOM 758 C ILE A 96 20.609 18.423 -14.829 1.00 29.12 C ATOM 759 O ILE A 96 19.710 19.099 -15.329 1.00 27.26 O ATOM 760 CB ILE A 96 19.932 16.497 -13.381 1.00 15.13 C ATOM 761 CG1 ILE A 96 19.719 14.992 -13.252 1.00 19.70 C ATOM 762 CG2 ILE A 96 18.667 17.300 -13.142 1.00 19.32 C ATOM 763 CD1 ILE A 96 19.564 14.462 -11.841 1.00 23.11 C ATOM 764 HA ILE A 96 19.921 16.529 -15.534 1.00 0.00 H ATOM 765 HB ILE A 96 20.645 16.734 -12.591 1.00 0.00 H ATOM 766 HG12 ILE A 96 18.817 14.734 -13.807 1.00 0.00 H ATOM 767 HG13 ILE A 96 20.577 14.494 -13.704 1.00 0.00 H ATOM 768 HD11 ILE A 96 20.462 14.692 -11.267 1.00 0.00 H ATOM 769 HD12 ILE A 96 18.700 14.932 -11.370 1.00 0.00 H ATOM 770 HD13 ILE A 96 19.419 13.382 -11.874 1.00 0.00 H ATOM 771 HG21 ILE A 96 18.911 18.362 -13.123 1.00 0.00 H ATOM 772 HG22 ILE A 96 17.956 17.104 -13.945 1.00 0.00 H ATOM 773 HG23 ILE A 96 18.228 17.009 -12.188 1.00 0.00 H ATOM 774 H ILE A 96 22.378 15.914 -14.077 1.00 0.00 H ATOM 775 N LYS A 97 21.700 19.022 -14.348 1.00 20.81 N ATOM 776 CA LYS A 97 21.863 20.463 -14.495 1.00 24.97 C ATOM 777 C LYS A 97 22.105 20.865 -15.944 1.00 26.25 C ATOM 778 O LYS A 97 21.678 21.932 -16.409 1.00 21.37 O ATOM 779 CB LYS A 97 23.024 20.926 -13.607 1.00 22.85 C ATOM 780 CG LYS A 97 22.701 20.899 -12.115 1.00 29.19 C ATOM 781 CD LYS A 97 23.798 21.581 -11.303 1.00 30.03 C ATOM 782 CE LYS A 97 23.565 21.426 -9.807 1.00 26.80 C ATOM 783 NZ LYS A 97 22.545 22.383 -9.303 1.00 32.86 N ATOM 784 HA LYS A 97 20.938 20.949 -14.183 1.00 0.00 H ATOM 785 HB2 LYS A 97 23.878 20.273 -13.787 1.00 0.00 H ATOM 786 HB3 LYS A 97 23.285 21.947 -13.885 1.00 0.00 H ATOM 787 HG2 LYS A 97 21.757 21.418 -11.945 1.00 0.00 H ATOM 788 HG3 LYS A 97 22.608 19.863 -11.789 1.00 0.00 H ATOM 789 HD2 LYS A 97 24.759 21.134 -11.560 1.00 0.00 H ATOM 790 HD3 LYS A 97 23.814 22.642 -11.551 1.00 0.00 H ATOM 791 HE2 LYS A 97 24.504 21.604 -9.283 1.00 0.00 H ATOM 792 HE3 LYS A 97 23.225 20.410 -9.606 1.00 0.00 H ATOM 793 HZ1 LYS A 97 22.865 23.356 -9.484 1.00 0.00 H ATOM 794 HZ2 LYS A 97 21.643 22.216 -9.793 1.00 0.00 H ATOM 795 HZ3 LYS A 97 22.416 22.244 -8.280 1.00 0.00 H ATOM 796 H LYS A 97 22.433 18.461 -13.869 1.00 0.00 H ATOM 797 N SER A 98 22.817 20.032 -16.694 1.00 25.48 N ATOM 798 CA SER A 98 23.133 20.356 -18.084 1.00 28.20 C ATOM 799 C SER A 98 21.948 20.080 -19.007 1.00 27.02 C ATOM 800 O SER A 98 21.835 20.666 -20.085 1.00 29.74 O ATOM 801 CB SER A 98 24.348 19.565 -18.568 1.00 27.75 C ATOM 802 OG SER A 98 23.954 18.293 -19.054 1.00 27.82 O ATOM 803 HA SER A 98 23.361 21.421 -18.119 1.00 0.00 H ATOM 804 HB2 SER A 98 25.043 19.432 -17.739 1.00 0.00 H ATOM 805 HB3 SER A 98 24.840 20.118 -19.368 1.00 0.00 H ATOM 806 HG SER A 98 24.753 17.797 -19.362 1.00 0.00 H ATOM 807 H SER A 98 23.155 19.137 -16.287 1.00 0.00 H ATOM 808 N GLY A 99 21.062 19.192 -18.581 1.00 20.39 N ATOM 809 CA GLY A 99 19.895 18.863 -19.391 1.00 23.42 C ATOM 810 C GLY A 99 20.056 17.511 -20.064 1.00 24.95 C ATOM 811 O GLY A 99 19.131 16.980 -20.672 1.00 23.36 O ATOM 812 HA3 GLY A 99 19.766 19.628 -20.156 1.00 0.00 H ATOM 813 HA2 GLY A 99 19.013 18.839 -18.751 1.00 0.00 H ATOM 814 H GLY A 99 21.200 18.726 -17.662 1.00 0.00 H ATOM 815 N GLU A 100 21.252 16.941 -19.948 1.00 22.41 N ATOM 816 CA GLU A 100 21.579 15.688 -20.609 1.00 20.52 C ATOM 817 C GLU A 100 20.778 14.498 -20.089 1.00 25.70 C ATOM 818 O GLU A 100 20.633 13.496 -20.801 1.00 25.36 O ATOM 819 CB GLU A 100 23.077 15.400 -20.467 1.00 22.67 C ATOM 820 CG GLU A 100 23.479 14.093 -21.129 1.00 29.88 C ATOM 821 CD GLU A 100 24.934 13.741 -20.903 1.00 38.66 C ATOM 822 OE1 GLU A 100 25.745 14.676 -20.757 1.00 38.35 O ATOM 823 OE2 GLU A 100 25.260 12.534 -20.875 1.00 56.76 O ATOM 824 HA GLU A 100 21.310 15.813 -21.658 1.00 0.00 H ATOM 825 HB2 GLU A 100 23.636 16.214 -20.929 1.00 0.00 H ATOM 826 HB3 GLU A 100 23.325 15.347 -19.407 1.00 0.00 H ATOM 827 HG2 GLU A 100 22.860 13.293 -20.723 1.00 0.00 H ATOM 828 HG3 GLU A 100 23.304 14.178 -22.202 1.00 0.00 H ATOM 829 H GLU A 100 21.977 17.407 -19.366 1.00 0.00 H ATOM 830 N GLU A 101 20.258 14.578 -18.871 1.00 21.65 N ATOM 831 CA GLU A 101 19.474 13.502 -18.286 1.00 20.01 C ATOM 832 C GLU A 101 18.285 14.045 -17.514 1.00 22.70 C ATOM 833 O GLU A 101 18.324 15.147 -16.970 1.00 24.06 O ATOM 834 CB GLU A 101 20.316 12.633 -17.344 1.00 25.48 C ATOM 835 CG GLU A 101 21.535 12.013 -18.005 1.00 27.03 C ATOM 836 CD GLU A 101 21.204 10.781 -18.827 1.00 31.41 C ATOM 837 OE1 GLU A 101 20.016 10.406 -18.881 1.00 29.98 O ATOM 838 OE2 GLU A 101 22.135 10.189 -19.415 1.00 41.09 O ATOM 839 HA GLU A 101 19.122 12.890 -19.117 1.00 0.00 H ATOM 840 HB2 GLU A 101 20.654 13.254 -16.514 1.00 0.00 H ATOM 841 HB3 GLU A 101 19.686 11.829 -16.963 1.00 0.00 H ATOM 842 HG2 GLU A 101 21.990 12.756 -18.660 1.00 0.00 H ATOM 843 HG3 GLU A 101 22.246 11.731 -17.228 1.00 0.00 H ATOM 844 H GLU A 101 20.417 15.442 -18.314 1.00 0.00 H ATOM 845 N ASP A 102 17.225 13.237 -17.464 1.00 21.39 N ATOM 846 CA ASP A 102 16.028 13.588 -16.713 1.00 17.21 C ATOM 847 C ASP A 102 16.038 12.911 -15.340 1.00 21.56 C ATOM 848 O ASP A 102 16.357 11.723 -15.252 1.00 22.21 O ATOM 849 CB ASP A 102 14.801 13.191 -17.525 1.00 21.36 C ATOM 850 CG ASP A 102 13.485 13.439 -16.826 1.00 21.39 C ATOM 851 OD1 ASP A 102 13.114 12.623 -15.953 1.00 36.04 O ATOM 852 OD2 ASP A 102 12.822 14.446 -17.149 1.00 46.30 O ATOM 853 HA ASP A 102 16.001 14.664 -16.540 1.00 0.00 H ATOM 854 HB2 ASP A 102 14.807 13.761 -18.454 1.00 0.00 H ATOM 855 HB3 ASP A 102 14.872 12.127 -17.753 1.00 0.00 H ATOM 856 H ASP A 102 17.254 12.332 -17.975 1.00 0.00 H ATOM 857 N PHE A 103 15.690 13.664 -14.299 1.00 22.08 N ATOM 858 CA PHE A 103 15.763 13.180 -12.925 1.00 25.94 C ATOM 859 C PHE A 103 15.015 11.852 -12.791 1.00 27.02 C ATOM 860 O PHE A 103 15.587 10.871 -12.299 1.00 14.34 O ATOM 861 CB PHE A 103 15.205 14.178 -11.901 1.00 24.79 C ATOM 862 CG PHE A 103 15.309 13.751 -10.439 1.00 25.81 C ATOM 863 CD1 PHE A 103 14.334 13.003 -9.792 1.00 27.30 C ATOM 864 CD2 PHE A 103 16.425 14.118 -9.688 1.00 34.54 C ATOM 865 CE1 PHE A 103 14.446 12.607 -8.473 1.00 25.90 C ATOM 866 CE2 PHE A 103 16.554 13.737 -8.366 1.00 33.84 C ATOM 867 CZ PHE A 103 15.566 12.988 -7.748 1.00 32.80 C ATOM 868 HA PHE A 103 16.822 13.046 -12.705 1.00 0.00 H ATOM 869 HB2 PHE A 103 15.748 15.116 -12.016 1.00 0.00 H ATOM 870 HB3 PHE A 103 14.151 14.339 -12.129 1.00 0.00 H ATOM 871 HD2 PHE A 103 17.209 14.716 -10.152 1.00 0.00 H ATOM 872 HE2 PHE A 103 17.441 14.029 -7.804 1.00 0.00 H ATOM 873 HZ PHE A 103 15.668 12.701 -6.702 1.00 0.00 H ATOM 874 HE1 PHE A 103 13.666 12.004 -8.009 1.00 0.00 H ATOM 875 HD1 PHE A 103 13.442 12.716 -10.349 1.00 0.00 H ATOM 876 H PHE A 103 15.354 14.633 -14.472 1.00 0.00 H ATOM 877 N GLU A 104 13.749 11.895 -13.197 1.00 22.23 N ATOM 878 CA GLU A 104 12.867 10.739 -13.043 1.00 27.23 C ATOM 879 C GLU A 104 13.264 9.551 -13.900 1.00 25.00 C ATOM 880 O GLU A 104 13.094 8.402 -13.456 1.00 23.34 O ATOM 881 CB GLU A 104 11.408 11.155 -13.307 1.00 31.27 C ATOM 882 CG GLU A 104 10.839 11.857 -12.079 1.00 38.69 C ATOM 883 CD GLU A 104 9.680 12.783 -12.369 1.00 46.35 C ATOM 884 OE1 GLU A 104 9.869 13.832 -13.023 1.00 63.13 O ATOM 885 OE2 GLU A 104 8.563 12.448 -11.919 1.00 29.94 O ATOM 886 HA GLU A 104 12.968 10.399 -12.012 1.00 0.00 H ATOM 887 HB2 GLU A 104 11.374 11.833 -14.160 1.00 0.00 H ATOM 888 HB3 GLU A 104 10.813 10.268 -13.525 1.00 0.00 H ATOM 889 HG2 GLU A 104 10.499 11.095 -11.377 1.00 0.00 H ATOM 890 HG3 GLU A 104 11.636 12.442 -11.620 1.00 0.00 H ATOM 891 H GLU A 104 13.380 12.765 -13.631 1.00 0.00 H ATOM 892 N SER A 105 13.814 9.760 -15.090 1.00 21.93 N ATOM 893 CA SER A 105 14.304 8.623 -15.862 1.00 26.00 C ATOM 894 C SER A 105 15.532 7.995 -15.219 1.00 25.69 C ATOM 895 O SER A 105 15.688 6.773 -15.220 1.00 27.29 O ATOM 896 CB SER A 105 14.636 9.035 -17.300 1.00 33.87 C ATOM 897 OG SER A 105 13.652 9.929 -17.792 1.00 39.61 O ATOM 898 HA SER A 105 13.503 7.883 -15.877 1.00 0.00 H ATOM 899 HB2 SER A 105 14.665 8.147 -17.932 1.00 0.00 H ATOM 900 HB3 SER A 105 15.610 9.525 -17.319 1.00 0.00 H ATOM 901 HG SER A 105 13.626 10.737 -17.220 1.00 0.00 H ATOM 902 H SER A 105 13.895 10.725 -15.469 1.00 0.00 H ATOM 903 N LEU A 106 16.413 8.833 -14.679 1.00 22.06 N ATOM 904 CA LEU A 106 17.604 8.309 -14.009 1.00 24.02 C ATOM 905 C LEU A 106 17.219 7.449 -12.813 1.00 20.90 C ATOM 906 O LEU A 106 17.753 6.361 -12.579 1.00 22.50 O ATOM 907 CB LEU A 106 18.515 9.465 -13.581 1.00 21.05 C ATOM 908 CG LEU A 106 19.459 10.013 -14.645 1.00 23.17 C ATOM 909 CD1 LEU A 106 20.294 11.162 -14.088 1.00 29.12 C ATOM 910 CD2 LEU A 106 20.363 8.918 -15.189 1.00 20.06 C ATOM 911 HA LEU A 106 18.149 7.677 -14.710 1.00 0.00 H ATOM 912 HB2 LEU A 106 17.878 10.284 -13.249 1.00 0.00 H ATOM 913 HB3 LEU A 106 19.123 9.117 -12.746 1.00 0.00 H ATOM 914 HG LEU A 106 18.851 10.393 -15.466 1.00 0.00 H ATOM 915 HD21 LEU A 106 20.957 8.501 -14.375 1.00 0.00 H ATOM 916 HD22 LEU A 106 19.753 8.132 -15.634 1.00 0.00 H ATOM 917 HD23 LEU A 106 21.025 9.338 -15.946 1.00 0.00 H ATOM 918 HD11 LEU A 106 19.633 11.963 -13.758 1.00 0.00 H ATOM 919 HD12 LEU A 106 20.884 10.805 -13.244 1.00 0.00 H ATOM 920 HD13 LEU A 106 20.960 11.536 -14.866 1.00 0.00 H ATOM 921 H LEU A 106 16.255 9.860 -14.733 1.00 0.00 H ATOM 922 N ALA A 107 16.255 7.944 -12.023 1.00 23.81 N ATOM 923 CA ALA A 107 15.883 7.225 -10.812 1.00 22.67 C ATOM 924 C ALA A 107 15.213 5.888 -11.136 1.00 24.43 C ATOM 925 O ALA A 107 15.479 4.888 -10.465 1.00 19.56 O ATOM 926 CB ALA A 107 14.990 8.075 -9.929 1.00 14.06 C ATOM 927 HA ALA A 107 16.800 7.010 -10.264 1.00 0.00 H ATOM 928 HB1 ALA A 107 15.520 8.985 -9.648 1.00 0.00 H ATOM 929 HB2 ALA A 107 14.083 8.335 -10.475 1.00 0.00 H ATOM 930 HB3 ALA A 107 14.728 7.514 -9.032 1.00 0.00 H ATOM 931 H ALA A 107 15.777 8.833 -12.273 1.00 0.00 H ATOM 932 N SER A 108 14.361 5.862 -12.159 1.00 22.64 N ATOM 933 CA SER A 108 13.691 4.612 -12.520 1.00 19.30 C ATOM 934 C SER A 108 14.682 3.563 -12.979 1.00 16.44 C ATOM 935 O SER A 108 14.408 2.364 -12.876 1.00 32.14 O ATOM 936 CB SER A 108 12.621 4.850 -13.598 1.00 28.81 C ATOM 937 OG SER A 108 13.203 5.267 -14.810 1.00 32.32 O ATOM 938 HA SER A 108 13.198 4.238 -11.623 1.00 0.00 H ATOM 939 HB2 SER A 108 11.931 5.620 -13.251 1.00 0.00 H ATOM 940 HB3 SER A 108 12.073 3.923 -13.767 1.00 0.00 H ATOM 941 HG SER A 108 13.698 6.112 -14.664 1.00 0.00 H ATOM 942 H SER A 108 14.172 6.729 -12.701 1.00 0.00 H ATOM 943 N GLN A 109 15.835 3.969 -13.493 1.00 17.14 N ATOM 944 CA GLN A 109 16.805 2.979 -13.937 1.00 26.72 C ATOM 945 C GLN A 109 17.865 2.656 -12.884 1.00 25.99 C ATOM 946 O GLN A 109 18.300 1.507 -12.769 1.00 19.49 O ATOM 947 CB GLN A 109 17.529 3.456 -15.201 1.00 36.57 C ATOM 948 CG GLN A 109 16.693 4.287 -16.159 1.00 44.74 C ATOM 949 CD GLN A 109 17.541 4.864 -17.279 1.00 48.45 C ATOM 950 OE1 GLN A 109 17.035 5.515 -18.191 1.00 59.57 O ATOM 951 NE2 GLN A 109 18.845 4.621 -17.221 1.00 56.77 N ATOM 952 HA GLN A 109 16.227 2.076 -14.133 1.00 0.00 H ATOM 953 HB2 GLN A 109 18.384 4.058 -14.892 1.00 0.00 H ATOM 954 HB3 GLN A 109 17.881 2.576 -15.739 1.00 0.00 H ATOM 955 HG2 GLN A 109 15.916 3.656 -16.591 1.00 0.00 H ATOM 956 HG3 GLN A 109 16.230 5.105 -15.607 1.00 0.00 H ATOM 957 HE22 GLN A 109 19.236 4.066 -16.433 1.00 0.00 H ATOM 958 HE21 GLN A 109 19.475 4.986 -17.963 1.00 0.00 H ATOM 959 H GLN A 109 16.044 4.984 -13.578 1.00 0.00 H ATOM 960 N PHE A 110 18.317 3.669 -12.132 1.00 19.54 N ATOM 961 CA PHE A 110 19.508 3.392 -11.327 1.00 24.00 C ATOM 962 C PHE A 110 19.306 3.563 -9.832 1.00 24.20 C ATOM 963 O PHE A 110 20.260 3.289 -9.086 1.00 23.54 O ATOM 964 CB PHE A 110 20.654 4.324 -11.740 1.00 23.25 C ATOM 965 CG PHE A 110 20.966 4.295 -13.222 1.00 27.78 C ATOM 966 CD1 PHE A 110 21.456 3.143 -13.810 1.00 26.98 C ATOM 967 CD2 PHE A 110 20.755 5.424 -13.994 1.00 34.48 C ATOM 968 CE1 PHE A 110 21.746 3.132 -15.162 1.00 41.40 C ATOM 969 CE2 PHE A 110 21.043 5.413 -15.346 1.00 38.79 C ATOM 970 CZ PHE A 110 21.531 4.262 -15.934 1.00 44.00 C ATOM 971 HA PHE A 110 19.738 2.344 -11.518 1.00 0.00 H ATOM 972 HB2 PHE A 110 20.383 5.344 -11.466 1.00 0.00 H ATOM 973 HB3 PHE A 110 21.550 4.029 -11.195 1.00 0.00 H ATOM 974 HD2 PHE A 110 20.359 6.329 -13.533 1.00 0.00 H ATOM 975 HE2 PHE A 110 20.886 6.309 -15.946 1.00 0.00 H ATOM 976 HZ PHE A 110 21.746 4.243 -17.002 1.00 0.00 H ATOM 977 HE1 PHE A 110 22.146 2.229 -15.623 1.00 0.00 H ATOM 978 HD1 PHE A 110 21.613 2.247 -13.210 1.00 0.00 H ATOM 979 H PHE A 110 17.849 4.598 -12.121 1.00 0.00 H ATOM 980 N SER A 111 18.135 4.018 -9.400 1.00 18.25 N ATOM 981 CA SER A 111 17.936 4.175 -7.961 1.00 20.58 C ATOM 982 C SER A 111 17.904 2.808 -7.271 1.00 31.01 C ATOM 983 O SER A 111 17.239 1.872 -7.721 1.00 22.62 O ATOM 984 CB SER A 111 16.668 4.958 -7.642 1.00 20.55 C ATOM 985 OG SER A 111 16.573 5.156 -6.232 1.00 22.50 O ATOM 986 HA SER A 111 18.781 4.748 -7.578 1.00 0.00 H ATOM 987 HB2 SER A 111 15.799 4.400 -7.990 1.00 0.00 H ATOM 988 HB3 SER A 111 16.702 5.925 -8.144 1.00 0.00 H ATOM 989 HG SER A 111 15.749 5.665 -6.026 1.00 0.00 H ATOM 990 H SER A 111 17.377 4.257 -10.071 1.00 0.00 H ATOM 991 N ASP A 112 18.643 2.723 -6.167 1.00 20.00 N ATOM 992 CA ASP A 112 18.693 1.505 -5.364 1.00 19.70 C ATOM 993 C ASP A 112 17.536 1.455 -4.386 1.00 15.73 C ATOM 994 O ASP A 112 17.485 0.609 -3.500 1.00 27.72 O ATOM 995 CB ASP A 112 19.998 1.404 -4.562 1.00 19.50 C ATOM 996 CG ASP A 112 21.168 0.971 -5.401 1.00 15.59 C ATOM 997 OD1 ASP A 112 21.066 -0.048 -6.116 1.00 19.53 O ATOM 998 OD2 ASP A 112 22.209 1.668 -5.356 1.00 20.60 O ATOM 999 HA ASP A 112 18.633 0.671 -6.064 1.00 0.00 H ATOM 1000 HB2 ASP A 112 20.220 2.381 -4.133 1.00 0.00 H ATOM 1001 HB3 ASP A 112 19.858 0.680 -3.759 1.00 0.00 H ATOM 1002 H ASP A 112 19.201 3.548 -5.868 1.00 0.00 H ATOM 1003 N CYS A 113 16.597 2.388 -4.524 1.00 14.84 N ATOM 1004 CA CYS A 113 15.396 2.351 -3.702 1.00 13.64 C ATOM 1005 C CYS A 113 14.293 1.694 -4.532 1.00 18.54 C ATOM 1006 O CYS A 113 14.265 1.913 -5.746 1.00 24.38 O ATOM 1007 CB CYS A 113 14.969 3.742 -3.250 1.00 13.19 C ATOM 1008 SG CYS A 113 13.417 3.823 -2.341 1.00 21.60 S ATOM 1009 HA CYS A 113 15.594 1.781 -2.794 1.00 0.00 H ATOM 1010 HB2 CYS A 113 14.871 4.368 -4.137 1.00 0.00 H ATOM 1011 HB3 CYS A 113 15.755 4.142 -2.609 1.00 0.00 H ATOM 1012 HG CYS A 113 13.155 5.133 -1.996 1.00 0.00 H ATOM 1013 H CYS A 113 16.722 3.148 -5.223 1.00 0.00 H ATOM 1014 N SER A 114 13.399 0.928 -3.934 1.00 21.07 N ATOM 1015 CA SER A 114 12.342 0.283 -4.708 1.00 23.55 C ATOM 1016 C SER A 114 11.383 1.301 -5.308 1.00 26.43 C ATOM 1017 O SER A 114 10.593 0.978 -6.201 1.00 27.82 O ATOM 1018 CB SER A 114 11.589 -0.708 -3.823 1.00 18.71 C ATOM 1019 OG SER A 114 10.812 -0.005 -2.874 1.00 28.27 O ATOM 1020 HA SER A 114 12.805 -0.252 -5.537 1.00 0.00 H ATOM 1021 HB2 SER A 114 12.304 -1.347 -3.304 1.00 0.00 H ATOM 1022 HB3 SER A 114 10.936 -1.323 -4.442 1.00 0.00 H ATOM 1023 HG SER A 114 11.406 0.553 -2.311 1.00 0.00 H ATOM 1024 H SER A 114 13.448 0.783 -2.905 1.00 0.00 H ATOM 1025 N SER A 115 11.446 2.554 -4.852 1.00 22.43 N ATOM 1026 CA SER A 115 10.646 3.619 -5.451 1.00 19.11 C ATOM 1027 C SER A 115 11.043 3.887 -6.897 1.00 17.10 C ATOM 1028 O SER A 115 10.345 4.613 -7.618 1.00 22.36 O ATOM 1029 CB SER A 115 10.760 4.887 -4.601 1.00 23.42 C ATOM 1030 OG SER A 115 12.101 5.348 -4.552 1.00 16.52 O ATOM 1031 HA SER A 115 9.605 3.295 -5.470 1.00 0.00 H ATOM 1032 HB2 SER A 115 10.420 4.669 -3.588 1.00 0.00 H ATOM 1033 HB3 SER A 115 10.131 5.665 -5.034 1.00 0.00 H ATOM 1034 HG SER A 115 12.413 5.551 -5.469 1.00 0.00 H ATOM 1035 H SER A 115 12.077 2.776 -4.055 1.00 0.00 H ATOM 1036 N ALA A 116 12.132 3.309 -7.394 1.00 15.37 N ATOM 1037 CA ALA A 116 12.499 3.407 -8.791 1.00 16.58 C ATOM 1038 C ALA A 116 11.352 2.944 -9.704 1.00 18.74 C ATOM 1039 O ALA A 116 11.236 3.381 -10.855 1.00 21.26 O ATOM 1040 CB ALA A 116 13.728 2.579 -9.103 1.00 17.22 C ATOM 1041 HA ALA A 116 12.715 4.458 -8.981 1.00 0.00 H ATOM 1042 HB1 ALA A 116 14.565 2.932 -8.501 1.00 0.00 H ATOM 1043 HB2 ALA A 116 13.528 1.533 -8.871 1.00 0.00 H ATOM 1044 HB3 ALA A 116 13.972 2.678 -10.161 1.00 0.00 H ATOM 1045 H ALA A 116 12.745 2.765 -6.754 1.00 0.00 H ATOM 1046 N LYS A 117 10.522 2.050 -9.197 1.00 19.08 N ATOM 1047 CA LYS A 117 9.411 1.532 -9.997 1.00 30.27 C ATOM 1048 C LYS A 117 8.346 2.614 -10.152 1.00 36.41 C ATOM 1049 O LYS A 117 7.459 2.517 -11.003 1.00 33.71 O ATOM 1050 CB LYS A 117 8.823 0.274 -9.370 1.00 32.62 C ATOM 1051 CG LYS A 117 8.160 0.486 -8.020 1.00 47.34 C ATOM 1052 CD LYS A 117 7.827 -0.869 -7.400 1.00 64.85 C ATOM 1053 CE LYS A 117 8.211 -1.988 -8.363 1.00 75.82 C ATOM 1054 NZ LYS A 117 8.683 -3.209 -7.657 1.00 87.47 N ATOM 1055 HA LYS A 117 9.785 1.259 -10.984 1.00 0.00 H ATOM 1056 HB2 LYS A 117 8.077 -0.130 -10.055 1.00 0.00 H ATOM 1057 HB3 LYS A 117 9.628 -0.450 -9.243 1.00 0.00 H ATOM 1058 HG2 LYS A 117 8.838 1.030 -7.363 1.00 0.00 H ATOM 1059 HG3 LYS A 117 7.244 1.061 -8.151 1.00 0.00 H ATOM 1060 HD2 LYS A 117 8.381 -0.987 -6.469 1.00 0.00 H ATOM 1061 HD3 LYS A 117 6.758 -0.920 -7.194 1.00 0.00 H ATOM 1062 HE2 LYS A 117 9.008 -1.631 -9.015 1.00 0.00 H ATOM 1063 HE3 LYS A 117 7.340 -2.246 -8.965 1.00 0.00 H ATOM 1064 HZ1 LYS A 117 9.520 -2.976 -7.086 1.00 0.00 H ATOM 1065 HZ2 LYS A 117 7.927 -3.564 -7.038 1.00 0.00 H ATOM 1066 HZ3 LYS A 117 8.931 -3.938 -8.356 1.00 0.00 H ATOM 1067 H LYS A 117 10.659 1.712 -8.223 1.00 0.00 H ATOM 1068 N ALA A 118 8.462 3.642 -9.316 1.00 21.58 N ATOM 1069 CA ALA A 118 7.524 4.756 -9.328 1.00 17.97 C ATOM 1070 C ALA A 118 8.191 5.987 -9.924 1.00 17.20 C ATOM 1071 O ALA A 118 7.709 7.094 -9.709 1.00 28.15 O ATOM 1072 CB ALA A 118 7.019 5.063 -7.931 1.00 19.18 C ATOM 1073 HA ALA A 118 6.668 4.475 -9.942 1.00 0.00 H ATOM 1074 HB1 ALA A 118 6.513 4.186 -7.528 1.00 0.00 H ATOM 1075 HB2 ALA A 118 7.862 5.324 -7.291 1.00 0.00 H ATOM 1076 HB3 ALA A 118 6.321 5.899 -7.974 1.00 0.00 H ATOM 1077 H ALA A 118 9.246 3.651 -8.633 1.00 0.00 H ATOM 1078 N ARG A 119 9.280 5.725 -10.633 1.00 15.23 N ATOM 1079 CA ARG A 119 10.158 6.733 -11.193 1.00 17.31 C ATOM 1080 C ARG A 119 10.640 7.643 -10.067 1.00 20.30 C ATOM 1081 O ARG A 119 10.806 8.850 -10.209 1.00 17.33 O ATOM 1082 CB ARG A 119 9.470 7.534 -12.310 1.00 23.48 C ATOM 1083 CG ARG A 119 9.016 6.606 -13.444 1.00 23.87 C ATOM 1084 CD ARG A 119 8.210 7.368 -14.475 1.00 25.68 C ATOM 1085 NE ARG A 119 8.941 8.423 -15.155 1.00 35.89 N ATOM 1086 CZ ARG A 119 9.945 8.250 -16.003 1.00 47.72 C ATOM 1087 NH1 ARG A 119 10.530 9.300 -16.565 1.00 42.21 N ATOM 1088 NH2 ARG A 119 10.384 7.032 -16.307 1.00 69.10 N ATOM 1089 HA ARG A 119 11.015 6.243 -11.655 1.00 0.00 H ATOM 1090 HB2 ARG A 119 8.601 8.048 -11.899 1.00 0.00 H ATOM 1091 HB3 ARG A 119 10.171 8.268 -12.707 1.00 0.00 H ATOM 1092 HG2 ARG A 119 9.893 6.174 -13.925 1.00 0.00 H ATOM 1093 HG3 ARG A 119 8.401 5.808 -13.028 1.00 0.00 H ATOM 1094 HD2 ARG A 119 7.353 7.817 -13.973 1.00 0.00 H ATOM 1095 HD3 ARG A 119 7.860 6.659 -15.225 1.00 0.00 H ATOM 1096 HE ARG A 119 8.651 9.402 -14.959 1.00 0.00 H ATOM 1097 HH12 ARG A 119 11.318 9.162 -17.230 1.00 0.00 H ATOM 1098 HH11 ARG A 119 10.201 10.261 -16.340 1.00 0.00 H ATOM 1099 HH22 ARG A 119 11.173 6.915 -16.974 1.00 0.00 H ATOM 1100 HH21 ARG A 119 9.938 6.196 -15.877 1.00 0.00 H ATOM 1101 H ARG A 119 9.521 4.727 -10.799 1.00 0.00 H ATOM 1102 N GLY A 120 10.866 7.038 -8.897 1.00 17.59 N ATOM 1103 CA GLY A 120 11.471 7.811 -7.814 1.00 14.58 C ATOM 1104 C GLY A 120 10.482 8.379 -6.831 1.00 18.70 C ATOM 1105 O GLY A 120 10.855 8.836 -5.741 1.00 19.01 O ATOM 1106 HA3 GLY A 120 12.028 8.638 -8.254 1.00 0.00 H ATOM 1107 HA2 GLY A 120 12.157 7.160 -7.271 1.00 0.00 H ATOM 1108 H GLY A 120 10.617 6.038 -8.760 1.00 0.00 H ATOM 1109 N ASP A 121 9.185 8.371 -7.151 1.00 21.93 N ATOM 1110 CA ASP A 121 8.232 9.043 -6.270 1.00 21.94 C ATOM 1111 C ASP A 121 8.037 8.307 -4.953 1.00 18.86 C ATOM 1112 O ASP A 121 7.784 7.104 -5.018 1.00 19.65 O ATOM 1113 CB ASP A 121 6.881 9.170 -6.982 1.00 21.54 C ATOM 1114 CG ASP A 121 5.809 9.838 -6.156 1.00 21.94 C ATOM 1115 OD1 ASP A 121 6.067 10.851 -5.482 1.00 20.66 O ATOM 1116 OD2 ASP A 121 4.652 9.361 -6.171 1.00 27.94 O ATOM 1117 HA ASP A 121 8.641 10.027 -6.039 1.00 0.00 H ATOM 1118 HB2 ASP A 121 7.026 9.754 -7.891 1.00 0.00 H ATOM 1119 HB3 ASP A 121 6.537 8.170 -7.245 1.00 0.00 H ATOM 1120 H ASP A 121 8.858 7.893 -8.015 1.00 0.00 H ATOM 1121 N LEU A 122 8.137 9.016 -3.831 1.00 14.93 N ATOM 1122 CA LEU A 122 7.904 8.421 -2.520 1.00 14.10 C ATOM 1123 C LEU A 122 6.512 8.740 -2.000 1.00 19.13 C ATOM 1124 O LEU A 122 6.082 8.244 -0.967 1.00 22.07 O ATOM 1125 CB LEU A 122 8.921 8.938 -1.479 1.00 14.50 C ATOM 1126 CG LEU A 122 10.375 8.537 -1.746 1.00 19.47 C ATOM 1127 CD1 LEU A 122 11.340 9.481 -1.041 1.00 32.94 C ATOM 1128 CD2 LEU A 122 10.618 7.094 -1.325 1.00 16.60 C ATOM 1129 HA LEU A 122 8.014 7.345 -2.652 1.00 0.00 H ATOM 1130 HB2 LEU A 122 8.867 10.027 -1.463 1.00 0.00 H ATOM 1131 HB3 LEU A 122 8.635 8.547 -0.502 1.00 0.00 H ATOM 1132 HG LEU A 122 10.558 8.614 -2.818 1.00 0.00 H ATOM 1133 HD21 LEU A 122 10.411 6.988 -0.260 1.00 0.00 H ATOM 1134 HD22 LEU A 122 9.959 6.436 -1.892 1.00 0.00 H ATOM 1135 HD23 LEU A 122 11.657 6.829 -1.523 1.00 0.00 H ATOM 1136 HD11 LEU A 122 11.184 10.496 -1.405 1.00 0.00 H ATOM 1137 HD12 LEU A 122 11.159 9.448 0.033 1.00 0.00 H ATOM 1138 HD13 LEU A 122 12.365 9.172 -1.248 1.00 0.00 H ATOM 1139 H LEU A 122 8.389 10.023 -3.891 1.00 0.00 H ATOM 1140 N GLY A 123 5.791 9.610 -2.707 1.00 18.83 N ATOM 1141 CA GLY A 123 4.519 10.074 -2.176 1.00 14.95 C ATOM 1142 C GLY A 123 4.763 11.136 -1.111 1.00 23.93 C ATOM 1143 O GLY A 123 5.870 11.666 -0.965 1.00 26.65 O ATOM 1144 HA3 GLY A 123 3.983 9.234 -1.734 1.00 0.00 H ATOM 1145 HA2 GLY A 123 3.923 10.500 -2.983 1.00 0.00 H ATOM 1146 H GLY A 123 6.134 9.953 -3.627 1.00 0.00 H ATOM 1147 N ALA A 124 3.733 11.453 -0.351 1.00 20.52 N ATOM 1148 CA ALA A 124 3.775 12.507 0.655 1.00 23.20 C ATOM 1149 C ALA A 124 4.212 11.991 2.018 1.00 24.16 C ATOM 1150 O ALA A 124 3.931 10.859 2.406 1.00 20.92 O ATOM 1151 CB ALA A 124 2.397 13.161 0.787 1.00 27.22 C ATOM 1152 HA ALA A 124 4.512 13.237 0.320 1.00 0.00 H ATOM 1153 HB1 ALA A 124 2.107 13.591 -0.172 1.00 0.00 H ATOM 1154 HB2 ALA A 124 1.666 12.409 1.085 1.00 0.00 H ATOM 1155 HB3 ALA A 124 2.440 13.947 1.541 1.00 0.00 H ATOM 1156 H ALA A 124 2.846 10.924 -0.476 1.00 0.00 H ATOM 1157 N PHE A 125 4.907 12.830 2.785 1.00 23.36 N ATOM 1158 CA PHE A 125 5.311 12.386 4.118 1.00 25.72 C ATOM 1159 C PHE A 125 5.408 13.607 5.030 1.00 23.07 C ATOM 1160 O PHE A 125 5.643 14.698 4.510 1.00 21.54 O ATOM 1161 CB PHE A 125 6.633 11.636 4.073 1.00 25.67 C ATOM 1162 CG PHE A 125 7.784 12.328 3.365 1.00 28.39 C ATOM 1163 CD1 PHE A 125 7.969 12.185 1.996 1.00 23.41 C ATOM 1164 CD2 PHE A 125 8.682 13.107 4.073 1.00 20.09 C ATOM 1165 CE1 PHE A 125 9.024 12.811 1.359 1.00 24.31 C ATOM 1166 CE2 PHE A 125 9.736 13.742 3.449 1.00 16.70 C ATOM 1167 CZ PHE A 125 9.915 13.586 2.085 1.00 24.61 C ATOM 1168 HA PHE A 125 4.566 11.693 4.509 1.00 0.00 H ATOM 1169 HB2 PHE A 125 6.942 11.448 5.101 1.00 0.00 H ATOM 1170 HB3 PHE A 125 6.457 10.686 3.568 1.00 0.00 H ATOM 1171 HD2 PHE A 125 8.554 13.222 5.149 1.00 0.00 H ATOM 1172 HE2 PHE A 125 10.423 14.362 4.026 1.00 0.00 H ATOM 1173 HZ PHE A 125 10.753 14.071 1.584 1.00 0.00 H ATOM 1174 HE1 PHE A 125 9.156 12.695 0.283 1.00 0.00 H ATOM 1175 HD1 PHE A 125 7.276 11.573 1.418 1.00 0.00 H ATOM 1176 H PHE A 125 5.157 13.780 2.443 1.00 0.00 H ATOM 1177 N SER A 126 5.222 13.378 6.323 1.00 20.39 N ATOM 1178 CA SER A 126 5.327 14.430 7.325 1.00 23.27 C ATOM 1179 C SER A 126 6.693 14.362 8.015 1.00 26.58 C ATOM 1180 O SER A 126 7.470 13.438 7.737 1.00 23.39 O ATOM 1181 CB SER A 126 4.219 14.309 8.373 1.00 23.61 C ATOM 1182 OG SER A 126 4.295 13.053 9.034 1.00 24.60 O ATOM 1183 HA SER A 126 5.219 15.389 6.818 1.00 0.00 H ATOM 1184 HB2 SER A 126 3.250 14.399 7.883 1.00 0.00 H ATOM 1185 HB3 SER A 126 4.329 15.108 9.106 1.00 0.00 H ATOM 1186 HG SER A 126 5.174 12.970 9.483 1.00 0.00 H ATOM 1187 H SER A 126 4.993 12.412 6.633 1.00 0.00 H ATOM 1188 N ARG A 127 6.976 15.315 8.906 1.00 22.46 N ATOM 1189 CA ARG A 127 8.210 15.193 9.695 1.00 25.45 C ATOM 1190 C ARG A 127 8.068 14.035 10.669 1.00 18.74 C ATOM 1191 O ARG A 127 6.944 13.690 11.040 1.00 25.85 O ATOM 1192 CB ARG A 127 8.501 16.503 10.422 1.00 24.98 C ATOM 1193 CG ARG A 127 9.185 17.537 9.529 1.00 25.78 C ATOM 1194 CD ARG A 127 9.389 18.829 10.290 1.00 27.18 C ATOM 1195 NE ARG A 127 10.075 19.871 9.565 1.00 27.17 N ATOM 1196 CZ ARG A 127 11.319 19.969 9.157 1.00 31.19 C ATOM 1197 NH1 ARG A 127 12.198 19.005 9.381 1.00 34.39 N ATOM 1198 NH2 ARG A 127 11.707 21.059 8.499 1.00 34.63 N ATOM 1199 HA ARG A 127 9.054 14.989 9.035 1.00 0.00 H ATOM 1200 HB2 ARG A 127 7.559 16.920 10.780 1.00 0.00 H ATOM 1201 HB3 ARG A 127 9.150 16.293 11.272 1.00 0.00 H ATOM 1202 HG2 ARG A 127 10.152 17.152 9.207 1.00 0.00 H ATOM 1203 HG3 ARG A 127 8.562 17.728 8.655 1.00 0.00 H ATOM 1204 HD2 ARG A 127 9.968 18.605 11.186 1.00 0.00 H ATOM 1205 HD3 ARG A 127 8.409 19.209 10.578 1.00 0.00 H ATOM 1206 HE ARG A 127 9.479 20.688 9.323 1.00 0.00 H ATOM 1207 HH12 ARG A 127 13.178 19.107 9.047 1.00 0.00 H ATOM 1208 HH11 ARG A 127 11.909 18.146 9.891 1.00 0.00 H ATOM 1209 HH22 ARG A 127 12.690 21.146 8.172 1.00 0.00 H ATOM 1210 HH21 ARG A 127 11.027 21.823 8.312 1.00 0.00 H ATOM 1211 H ARG A 127 6.338 16.125 9.039 1.00 0.00 H ATOM 1212 N GLY A 128 9.167 13.411 11.077 1.00 20.97 N ATOM 1213 CA GLY A 128 9.070 12.306 12.011 1.00 21.85 C ATOM 1214 C GLY A 128 8.945 10.937 11.384 1.00 27.67 C ATOM 1215 O GLY A 128 8.838 9.939 12.108 1.00 38.78 O ATOM 1216 HA3 GLY A 128 8.193 12.471 12.637 1.00 0.00 H ATOM 1217 HA2 GLY A 128 9.965 12.311 12.633 1.00 0.00 H ATOM 1218 H GLY A 128 10.098 13.715 10.726 1.00 0.00 H ATOM 1219 N GLN A 129 8.947 10.812 10.059 1.00 28.66 N ATOM 1220 CA GLN A 129 8.805 9.506 9.424 1.00 23.29 C ATOM 1221 C GLN A 129 10.076 9.042 8.732 1.00 18.90 C ATOM 1222 O GLN A 129 10.433 7.858 8.784 1.00 28.17 O ATOM 1223 CB GLN A 129 7.665 9.543 8.397 1.00 29.24 C ATOM 1224 CG GLN A 129 6.506 10.425 8.835 1.00 41.71 C ATOM 1225 CD GLN A 129 5.885 9.969 10.140 1.00 47.07 C ATOM 1226 OE1 GLN A 129 5.613 8.782 10.320 1.00 39.21 O ATOM 1227 NE2 GLN A 129 5.657 10.909 11.053 1.00 49.23 N ATOM 1228 HA GLN A 129 8.584 8.796 10.221 1.00 0.00 H ATOM 1229 HB2 GLN A 129 8.057 9.925 7.455 1.00 0.00 H ATOM 1230 HB3 GLN A 129 7.295 8.528 8.250 1.00 0.00 H ATOM 1231 HG2 GLN A 129 6.871 11.445 8.960 1.00 0.00 H ATOM 1232 HG3 GLN A 129 5.741 10.407 8.059 1.00 0.00 H ATOM 1233 HE22 GLN A 129 5.905 11.899 10.853 1.00 0.00 H ATOM 1234 HE21 GLN A 129 5.231 10.654 11.967 1.00 0.00 H ATOM 1235 H GLN A 129 9.052 11.660 9.466 1.00 0.00 H ATOM 1236 N MET A 130 10.770 9.962 8.059 1.00 21.45 N ATOM 1237 CA MET A 130 11.987 9.590 7.349 1.00 20.63 C ATOM 1238 C MET A 130 13.232 9.803 8.216 1.00 22.69 C ATOM 1239 O MET A 130 13.153 10.559 9.185 1.00 22.20 O ATOM 1240 CB MET A 130 12.141 10.415 6.065 1.00 27.58 C ATOM 1241 CG MET A 130 10.892 10.506 5.209 1.00 31.81 C ATOM 1242 SD MET A 130 10.415 8.890 4.565 1.00 38.36 S ATOM 1243 CE MET A 130 11.091 9.018 2.912 1.00 42.88 C ATOM 1244 HA MET A 130 11.899 8.532 7.104 1.00 0.00 H ATOM 1245 HB2 MET A 130 12.434 11.427 6.346 1.00 0.00 H ATOM 1246 HB3 MET A 130 12.931 9.963 5.465 1.00 0.00 H ATOM 1247 HG2 MET A 130 11.083 11.179 4.373 1.00 0.00 H ATOM 1248 HG3 MET A 130 10.076 10.902 5.813 1.00 0.00 H ATOM 1249 HE1 MET A 130 10.628 9.859 2.396 1.00 0.00 H ATOM 1250 HE2 MET A 130 12.168 9.175 2.972 1.00 0.00 H ATOM 1251 HE3 MET A 130 10.887 8.098 2.365 1.00 0.00 H ATOM 1252 H MET A 130 10.441 10.948 8.041 1.00 0.00 H ATOM 1253 N GLN A 131 14.347 9.174 7.862 1.00 25.81 N ATOM 1254 CA GLN A 131 15.610 9.445 8.561 1.00 25.16 C ATOM 1255 C GLN A 131 15.839 10.951 8.535 1.00 28.65 C ATOM 1256 O GLN A 131 15.630 11.593 7.499 1.00 20.44 O ATOM 1257 CB GLN A 131 16.784 8.692 7.945 1.00 25.60 C ATOM 1258 CG GLN A 131 16.874 7.219 8.336 1.00 26.53 C ATOM 1259 CD GLN A 131 17.805 6.432 7.438 1.00 29.01 C ATOM 1260 OE1 GLN A 131 19.027 6.604 7.451 1.00 37.53 O ATOM 1261 NE2 GLN A 131 17.232 5.542 6.633 1.00 25.25 N ATOM 1262 HA GLN A 131 15.541 9.090 9.589 1.00 0.00 H ATOM 1263 HB2 GLN A 131 16.694 8.751 6.860 1.00 0.00 H ATOM 1264 HB3 GLN A 131 17.705 9.184 8.259 1.00 0.00 H ATOM 1265 HG2 GLN A 131 17.238 7.152 9.361 1.00 0.00 H ATOM 1266 HG3 GLN A 131 15.878 6.780 8.276 1.00 0.00 H ATOM 1267 HE22 GLN A 131 16.199 5.419 6.645 1.00 0.00 H ATOM 1268 HE21 GLN A 131 17.817 4.969 5.992 1.00 0.00 H ATOM 1269 H GLN A 131 14.326 8.484 7.084 1.00 0.00 H ATOM 1270 N LYS A 132 16.239 11.516 9.670 1.00 20.73 N ATOM 1271 CA LYS A 132 16.281 12.956 9.843 1.00 17.84 C ATOM 1272 C LYS A 132 17.076 13.733 8.808 1.00 15.87 C ATOM 1273 O LYS A 132 16.602 14.821 8.447 1.00 20.16 O ATOM 1274 CB LYS A 132 16.837 13.300 11.244 1.00 27.85 C ATOM 1275 CG LYS A 132 17.174 14.784 11.347 1.00 35.24 C ATOM 1276 CD LYS A 132 16.532 15.423 12.564 1.00 44.54 C ATOM 1277 CE LYS A 132 16.451 16.937 12.438 1.00 44.19 C ATOM 1278 NZ LYS A 132 15.059 17.377 12.140 1.00 44.23 N ATOM 1279 HA LYS A 132 15.245 13.269 9.715 1.00 0.00 H ATOM 1280 HB2 LYS A 132 16.089 13.051 11.996 1.00 0.00 H ATOM 1281 HB3 LYS A 132 17.739 12.716 11.423 1.00 0.00 H ATOM 1282 HG2 LYS A 132 18.256 14.897 11.418 1.00 0.00 H ATOM 1283 HG3 LYS A 132 16.815 15.291 10.451 1.00 0.00 H ATOM 1284 HD2 LYS A 132 15.524 15.025 12.680 1.00 0.00 H ATOM 1285 HD3 LYS A 132 17.123 15.174 13.445 1.00 0.00 H ATOM 1286 HE2 LYS A 132 17.108 17.263 11.632 1.00 0.00 H ATOM 1287 HE3 LYS A 132 16.775 17.390 13.375 1.00 0.00 H ATOM 1288 HZ1 LYS A 132 14.746 16.951 11.244 1.00 0.00 H ATOM 1289 HZ2 LYS A 132 14.428 17.072 12.909 1.00 0.00 H ATOM 1290 HZ3 LYS A 132 15.034 18.414 12.060 1.00 0.00 H ATOM 1291 H LYS A 132 16.531 10.906 10.460 1.00 0.00 H ATOM 1292 N PRO A 133 18.235 13.317 8.320 1.00 14.83 N ATOM 1293 CA PRO A 133 18.913 14.098 7.285 1.00 20.98 C ATOM 1294 C PRO A 133 18.075 14.199 6.004 1.00 24.92 C ATOM 1295 O PRO A 133 18.167 15.208 5.304 1.00 17.28 O ATOM 1296 CB PRO A 133 20.191 13.317 6.989 1.00 22.28 C ATOM 1297 CG PRO A 133 20.386 12.432 8.171 1.00 22.68 C ATOM 1298 CD PRO A 133 19.010 12.123 8.695 1.00 18.14 C ATOM 1299 HA PRO A 133 19.093 15.119 7.620 1.00 0.00 H ATOM 1300 HD3 PRO A 133 18.603 11.228 8.224 1.00 0.00 H ATOM 1301 HD2 PRO A 133 19.024 11.989 9.777 1.00 0.00 H ATOM 1302 HG3 PRO A 133 20.975 12.943 8.933 1.00 0.00 H ATOM 1303 HG2 PRO A 133 20.894 11.514 7.876 1.00 0.00 H ATOM 1304 HB2 PRO A 133 20.076 12.724 6.081 1.00 0.00 H ATOM 1305 HB3 PRO A 133 21.037 13.995 6.874 1.00 0.00 H ATOM 1306 N PHE A 134 17.287 13.176 5.716 1.00 23.38 N ATOM 1307 CA PHE A 134 16.486 13.150 4.491 1.00 19.21 C ATOM 1308 C PHE A 134 15.315 14.123 4.641 1.00 25.74 C ATOM 1309 O PHE A 134 14.962 14.929 3.775 1.00 21.54 O ATOM 1310 CB PHE A 134 15.977 11.737 4.203 1.00 15.32 C ATOM 1311 CG PHE A 134 15.274 11.587 2.852 1.00 17.42 C ATOM 1312 CD1 PHE A 134 13.929 11.880 2.686 1.00 23.72 C ATOM 1313 CD2 PHE A 134 16.008 11.150 1.759 1.00 17.36 C ATOM 1314 CE1 PHE A 134 13.330 11.760 1.442 1.00 22.76 C ATOM 1315 CE2 PHE A 134 15.423 11.033 0.513 1.00 17.94 C ATOM 1316 CZ PHE A 134 14.090 11.349 0.360 1.00 17.10 C ATOM 1317 HA PHE A 134 17.108 13.455 3.649 1.00 0.00 H ATOM 1318 HB2 PHE A 134 16.828 11.056 4.223 1.00 0.00 H ATOM 1319 HB3 PHE A 134 15.273 11.460 4.988 1.00 0.00 H ATOM 1320 HD2 PHE A 134 17.060 10.896 1.885 1.00 0.00 H ATOM 1321 HE2 PHE A 134 16.010 10.694 -0.341 1.00 0.00 H ATOM 1322 HZ PHE A 134 13.629 11.274 -0.625 1.00 0.00 H ATOM 1323 HE1 PHE A 134 12.271 11.987 1.317 1.00 0.00 H ATOM 1324 HD1 PHE A 134 13.338 12.207 3.541 1.00 0.00 H ATOM 1325 H PHE A 134 17.236 12.373 6.374 1.00 0.00 H ATOM 1326 N GLU A 135 14.681 13.998 5.800 1.00 19.18 N ATOM 1327 CA GLU A 135 13.593 14.879 6.183 1.00 21.03 C ATOM 1328 C GLU A 135 14.013 16.338 6.108 1.00 25.75 C ATOM 1329 O GLU A 135 13.341 17.169 5.496 1.00 22.17 O ATOM 1330 CB GLU A 135 13.140 14.507 7.599 1.00 22.32 C ATOM 1331 CG GLU A 135 12.082 15.450 8.155 1.00 29.51 C ATOM 1332 CD GLU A 135 11.804 15.189 9.626 1.00 27.99 C ATOM 1333 OE1 GLU A 135 11.444 14.043 9.963 1.00 22.63 O ATOM 1334 OE2 GLU A 135 11.962 16.156 10.395 1.00 21.19 O ATOM 1335 HA GLU A 135 12.762 14.754 5.488 1.00 0.00 H ATOM 1336 HB2 GLU A 135 12.729 13.498 7.578 1.00 0.00 H ATOM 1337 HB3 GLU A 135 14.007 14.531 8.259 1.00 0.00 H ATOM 1338 HG2 GLU A 135 12.429 16.477 8.039 1.00 0.00 H ATOM 1339 HG3 GLU A 135 11.158 15.314 7.592 1.00 0.00 H ATOM 1340 H GLU A 135 14.973 13.245 6.455 1.00 0.00 H ATOM 1341 N ASP A 136 15.140 16.679 6.739 1.00 21.70 N ATOM 1342 CA ASP A 136 15.583 18.072 6.750 1.00 25.19 C ATOM 1343 C ASP A 136 15.837 18.589 5.342 1.00 20.63 C ATOM 1344 O ASP A 136 15.387 19.694 5.012 1.00 26.28 O ATOM 1345 CB ASP A 136 16.816 18.220 7.647 1.00 26.63 C ATOM 1346 CG ASP A 136 16.456 18.094 9.122 1.00 34.08 C ATOM 1347 OD1 ASP A 136 15.284 18.295 9.527 1.00 22.59 O ATOM 1348 OD2 ASP A 136 17.374 17.779 9.913 1.00 47.15 O ATOM 1349 HA ASP A 136 14.785 18.688 7.165 1.00 0.00 H ATOM 1350 HB2 ASP A 136 17.535 17.442 7.391 1.00 0.00 H ATOM 1351 HB3 ASP A 136 17.264 19.199 7.474 1.00 0.00 H ATOM 1352 H ASP A 136 15.704 15.952 7.224 1.00 0.00 H ATOM 1353 N ALA A 137 16.519 17.840 4.480 1.00 21.43 N ATOM 1354 CA ALA A 137 16.757 18.334 3.122 1.00 23.04 C ATOM 1355 C ALA A 137 15.450 18.506 2.344 1.00 18.35 C ATOM 1356 O ALA A 137 15.270 19.464 1.592 1.00 23.51 O ATOM 1357 CB ALA A 137 17.705 17.413 2.361 1.00 18.04 C ATOM 1358 HA ALA A 137 17.224 19.314 3.217 1.00 0.00 H ATOM 1359 HB1 ALA A 137 18.659 17.361 2.886 1.00 0.00 H ATOM 1360 HB2 ALA A 137 17.269 16.416 2.299 1.00 0.00 H ATOM 1361 HB3 ALA A 137 17.863 17.806 1.356 1.00 0.00 H ATOM 1362 H ALA A 137 16.881 16.909 4.769 1.00 0.00 H ATOM 1363 N SER A 138 14.533 17.565 2.518 1.00 21.42 N ATOM 1364 CA SER A 138 13.275 17.618 1.771 1.00 15.04 C ATOM 1365 C SER A 138 12.470 18.846 2.126 1.00 16.88 C ATOM 1366 O SER A 138 11.980 19.557 1.248 1.00 22.90 O ATOM 1367 CB SER A 138 12.463 16.364 2.078 1.00 16.40 C ATOM 1368 OG SER A 138 13.148 15.195 1.674 1.00 16.52 O ATOM 1369 HA SER A 138 13.507 17.669 0.707 1.00 0.00 H ATOM 1370 HB2 SER A 138 11.512 16.419 1.549 1.00 0.00 H ATOM 1371 HB3 SER A 138 12.278 16.314 3.151 1.00 0.00 H ATOM 1372 HG SER A 138 14.011 15.137 2.155 1.00 0.00 H ATOM 1373 H SER A 138 14.707 16.788 3.186 1.00 0.00 H ATOM 1374 N PHE A 139 12.324 19.105 3.435 1.00 13.86 N ATOM 1375 CA PHE A 139 11.472 20.213 3.849 1.00 17.67 C ATOM 1376 C PHE A 139 12.170 21.543 3.587 1.00 23.38 C ATOM 1377 O PHE A 139 11.560 22.607 3.635 1.00 22.36 O ATOM 1378 CB PHE A 139 11.075 20.088 5.317 1.00 20.45 C ATOM 1379 CG PHE A 139 9.852 19.205 5.526 1.00 25.44 C ATOM 1380 CD1 PHE A 139 9.976 17.843 5.761 1.00 20.65 C ATOM 1381 CD2 PHE A 139 8.584 19.752 5.477 1.00 22.53 C ATOM 1382 CE1 PHE A 139 8.875 17.037 5.955 1.00 20.82 C ATOM 1383 CE2 PHE A 139 7.482 18.947 5.682 1.00 15.99 C ATOM 1384 CZ PHE A 139 7.611 17.593 5.913 1.00 15.92 C ATOM 1385 HA PHE A 139 10.557 20.178 3.257 1.00 0.00 H ATOM 1386 HB2 PHE A 139 11.912 19.660 5.869 1.00 0.00 H ATOM 1387 HB3 PHE A 139 10.857 21.083 5.705 1.00 0.00 H ATOM 1388 HD2 PHE A 139 8.455 20.816 5.277 1.00 0.00 H ATOM 1389 HE2 PHE A 139 6.487 19.391 5.661 1.00 0.00 H ATOM 1390 HZ PHE A 139 6.728 16.971 6.060 1.00 0.00 H ATOM 1391 HE1 PHE A 139 9.000 15.970 6.140 1.00 0.00 H ATOM 1392 HD1 PHE A 139 10.971 17.399 5.793 1.00 0.00 H ATOM 1393 H PHE A 139 12.813 18.523 4.145 1.00 0.00 H ATOM 1394 N ALA A 140 13.463 21.510 3.279 1.00 21.40 N ATOM 1395 CA ALA A 140 14.111 22.782 2.942 1.00 27.09 C ATOM 1396 C ALA A 140 13.984 23.079 1.456 1.00 24.31 C ATOM 1397 O ALA A 140 14.334 24.149 0.969 1.00 28.35 O ATOM 1398 CB ALA A 140 15.574 22.774 3.374 1.00 26.52 C ATOM 1399 HA ALA A 140 13.602 23.577 3.487 1.00 0.00 H ATOM 1400 HB1 ALA A 140 15.632 22.623 4.452 1.00 0.00 H ATOM 1401 HB2 ALA A 140 16.098 21.966 2.864 1.00 0.00 H ATOM 1402 HB3 ALA A 140 16.034 23.727 3.114 1.00 0.00 H ATOM 1403 H ALA A 140 13.995 20.616 3.277 1.00 0.00 H ATOM 1404 N LEU A 141 13.482 22.139 0.649 1.00 19.52 N ATOM 1405 CA LEU A 141 13.373 22.489 -0.770 1.00 21.25 C ATOM 1406 C LEU A 141 12.066 23.203 -1.090 1.00 22.42 C ATOM 1407 O LEU A 141 11.038 22.980 -0.451 1.00 23.32 O ATOM 1408 CB LEU A 141 13.463 21.231 -1.646 1.00 24.21 C ATOM 1409 CG LEU A 141 14.678 20.324 -1.424 1.00 22.99 C ATOM 1410 CD1 LEU A 141 14.469 18.974 -2.105 1.00 20.41 C ATOM 1411 CD2 LEU A 141 15.948 21.006 -1.909 1.00 15.57 C ATOM 1412 HA LEU A 141 14.202 23.163 -0.985 1.00 0.00 H ATOM 1413 HB2 LEU A 141 12.568 20.636 -1.463 1.00 0.00 H ATOM 1414 HB3 LEU A 141 13.477 21.553 -2.687 1.00 0.00 H ATOM 1415 HG LEU A 141 14.789 20.141 -0.355 1.00 0.00 H ATOM 1416 HD21 LEU A 141 15.858 21.224 -2.973 1.00 0.00 H ATOM 1417 HD22 LEU A 141 16.093 21.935 -1.357 1.00 0.00 H ATOM 1418 HD23 LEU A 141 16.799 20.346 -1.743 1.00 0.00 H ATOM 1419 HD11 LEU A 141 13.585 18.491 -1.688 1.00 0.00 H ATOM 1420 HD12 LEU A 141 14.331 19.126 -3.175 1.00 0.00 H ATOM 1421 HD13 LEU A 141 15.342 18.344 -1.936 1.00 0.00 H ATOM 1422 H LEU A 141 13.185 21.210 1.009 1.00 0.00 H ATOM 1423 N ARG A 142 12.134 24.042 -2.115 1.00 23.41 N ATOM 1424 CA ARG A 142 10.968 24.636 -2.744 1.00 29.68 C ATOM 1425 C ARG A 142 10.354 23.604 -3.689 1.00 28.33 C ATOM 1426 O ARG A 142 11.076 22.729 -4.170 1.00 17.13 O ATOM 1427 CB ARG A 142 11.322 25.850 -3.584 1.00 39.72 C ATOM 1428 CG ARG A 142 11.294 27.214 -2.932 1.00 47.33 C ATOM 1429 CD ARG A 142 11.627 28.274 -3.989 1.00 52.04 C ATOM 1430 NE ARG A 142 13.075 28.326 -4.200 1.00 58.94 N ATOM 1431 CZ ARG A 142 13.796 29.404 -3.900 1.00 62.54 C ATOM 1432 NH1 ARG A 142 13.193 30.473 -3.399 1.00 66.24 N ATOM 1433 NH2 ARG A 142 15.105 29.410 -4.106 1.00 49.15 N ATOM 1434 HA ARG A 142 10.286 24.942 -1.950 1.00 0.00 H ATOM 1435 HB2 ARG A 142 12.332 25.695 -3.963 1.00 0.00 H ATOM 1436 HB3 ARG A 142 10.622 25.878 -4.419 1.00 0.00 H ATOM 1437 HG2 ARG A 142 10.302 27.404 -2.522 1.00 0.00 H ATOM 1438 HG3 ARG A 142 12.031 27.252 -2.130 1.00 0.00 H ATOM 1439 HD2 ARG A 142 11.275 29.248 -3.649 1.00 0.00 H ATOM 1440 HD3 ARG A 142 11.133 28.018 -4.927 1.00 0.00 H ATOM 1441 HE ARG A 142 13.556 27.494 -4.597 1.00 0.00 H ATOM 1442 HH12 ARG A 142 13.748 31.320 -3.162 1.00 0.00 H ATOM 1443 HH11 ARG A 142 12.165 30.465 -3.243 1.00 0.00 H ATOM 1444 HH22 ARG A 142 15.665 30.254 -3.870 1.00 0.00 H ATOM 1445 HH21 ARG A 142 15.573 28.570 -4.503 1.00 0.00 H ATOM 1446 H ARG A 142 13.073 24.288 -2.488 1.00 0.00 H ATOM 1447 N THR A 143 9.062 23.703 -3.983 1.00 23.37 N ATOM 1448 CA THR A 143 8.542 22.745 -4.973 1.00 20.44 C ATOM 1449 C THR A 143 9.265 22.945 -6.292 1.00 18.05 C ATOM 1450 O THR A 143 9.475 24.105 -6.655 1.00 19.78 O ATOM 1451 CB THR A 143 7.025 22.934 -5.101 1.00 27.08 C ATOM 1452 OG1 THR A 143 6.436 22.632 -3.823 1.00 31.90 O ATOM 1453 CG2 THR A 143 6.439 21.950 -6.093 1.00 36.09 C ATOM 1454 HA THR A 143 8.723 21.718 -4.655 1.00 0.00 H ATOM 1455 HB THR A 143 6.825 23.954 -5.430 1.00 0.00 H ATOM 1456 HG1 THR A 143 5.454 22.746 -3.878 1.00 0.00 H ATOM 1457 HG23 THR A 143 6.857 22.140 -7.081 1.00 0.00 H ATOM 1458 HG21 THR A 143 6.684 20.934 -5.783 1.00 0.00 H ATOM 1459 HG22 THR A 143 5.356 22.071 -6.126 1.00 0.00 H ATOM 1460 H THR A 143 8.451 24.418 -3.538 1.00 0.00 H ATOM 1461 N GLY A 144 9.667 21.904 -6.999 1.00 18.42 N ATOM 1462 CA GLY A 144 10.415 21.963 -8.237 1.00 19.11 C ATOM 1463 C GLY A 144 11.922 22.025 -8.075 1.00 25.07 C ATOM 1464 O GLY A 144 12.700 22.021 -9.039 1.00 20.36 O ATOM 1465 HA3 GLY A 144 10.097 22.851 -8.782 1.00 0.00 H ATOM 1466 HA2 GLY A 144 10.174 21.074 -8.820 1.00 0.00 H ATOM 1467 H GLY A 144 9.425 20.960 -6.635 1.00 0.00 H ATOM 1468 N GLU A 145 12.408 22.094 -6.836 1.00 25.83 N ATOM 1469 CA GLU A 145 13.850 22.230 -6.605 1.00 21.68 C ATOM 1470 C GLU A 145 14.472 20.880 -6.265 1.00 20.54 C ATOM 1471 O GLU A 145 13.801 19.985 -5.753 1.00 23.01 O ATOM 1472 CB GLU A 145 14.078 23.258 -5.498 1.00 27.54 C ATOM 1473 CG GLU A 145 15.460 23.856 -5.367 1.00 37.68 C ATOM 1474 CD GLU A 145 15.761 24.395 -3.980 1.00 45.26 C ATOM 1475 OE1 GLU A 145 14.825 24.788 -3.250 1.00 23.37 O ATOM 1476 OE2 GLU A 145 16.958 24.426 -3.607 1.00 58.40 O ATOM 1477 HA GLU A 145 14.340 22.581 -7.513 1.00 0.00 H ATOM 1478 HB2 GLU A 145 13.382 24.080 -5.668 1.00 0.00 H ATOM 1479 HB3 GLU A 145 13.841 22.774 -4.550 1.00 0.00 H ATOM 1480 HG2 GLU A 145 16.193 23.085 -5.604 1.00 0.00 H ATOM 1481 HG3 GLU A 145 15.551 24.674 -6.082 1.00 0.00 H ATOM 1482 H GLU A 145 11.758 22.051 -6.025 1.00 0.00 H ATOM 1483 N MET A 146 15.755 20.730 -6.560 1.00 15.44 N ATOM 1484 CA MET A 146 16.495 19.494 -6.375 1.00 15.72 C ATOM 1485 C MET A 146 17.596 19.709 -5.328 1.00 15.77 C ATOM 1486 O MET A 146 18.210 20.774 -5.374 1.00 15.10 O ATOM 1487 CB MET A 146 17.135 19.057 -7.684 1.00 17.02 C ATOM 1488 CG MET A 146 17.802 17.698 -7.637 1.00 22.42 C ATOM 1489 SD MET A 146 18.430 17.197 -9.247 1.00 27.34 S ATOM 1490 CE MET A 146 19.962 18.108 -9.362 1.00 30.26 C ATOM 1491 HA MET A 146 15.804 18.721 -6.039 1.00 0.00 H ATOM 1492 HB2 MET A 146 16.359 19.029 -8.449 1.00 0.00 H ATOM 1493 HB3 MET A 146 17.888 19.796 -7.958 1.00 0.00 H ATOM 1494 HG2 MET A 146 17.074 16.960 -7.298 1.00 0.00 H ATOM 1495 HG3 MET A 146 18.633 17.738 -6.932 1.00 0.00 H ATOM 1496 HE1 MET A 146 19.753 19.176 -9.302 1.00 0.00 H ATOM 1497 HE2 MET A 146 20.618 17.818 -8.542 1.00 0.00 H ATOM 1498 HE3 MET A 146 20.446 17.884 -10.313 1.00 0.00 H ATOM 1499 H MET A 146 16.264 21.549 -6.949 1.00 0.00 H ATOM 1500 N SER A 147 17.803 18.741 -4.456 1.00 18.81 N ATOM 1501 CA SER A 147 18.865 18.861 -3.453 1.00 19.93 C ATOM 1502 C SER A 147 20.232 18.597 -4.054 1.00 25.13 C ATOM 1503 O SER A 147 20.384 18.131 -5.185 1.00 20.42 O ATOM 1504 CB SER A 147 18.577 17.871 -2.318 1.00 14.26 C ATOM 1505 OG SER A 147 19.034 16.578 -2.726 1.00 16.37 O ATOM 1506 HA SER A 147 18.877 19.881 -3.068 1.00 0.00 H ATOM 1507 HB2 SER A 147 17.506 17.838 -2.119 1.00 0.00 H ATOM 1508 HB3 SER A 147 19.103 18.181 -1.415 1.00 0.00 H ATOM 1509 HG SER A 147 20.007 16.615 -2.907 1.00 0.00 H ATOM 1510 H SER A 147 17.209 17.888 -4.480 1.00 0.00 H ATOM 1511 N GLY A 148 21.283 18.888 -3.283 1.00 19.67 N ATOM 1512 CA GLY A 148 22.582 18.295 -3.565 1.00 18.65 C ATOM 1513 C GLY A 148 22.643 16.932 -2.859 1.00 20.87 C ATOM 1514 O GLY A 148 21.602 16.401 -2.460 1.00 20.66 O ATOM 1515 HA3 GLY A 148 23.374 18.943 -3.190 1.00 0.00 H ATOM 1516 HA2 GLY A 148 22.703 18.161 -4.640 1.00 0.00 H ATOM 1517 H GLY A 148 21.173 19.539 -2.480 1.00 0.00 H ATOM 1518 N PRO A 149 23.838 16.379 -2.697 1.00 18.71 N ATOM 1519 CA PRO A 149 23.995 15.072 -2.054 1.00 17.75 C ATOM 1520 C PRO A 149 23.448 15.097 -0.634 1.00 19.97 C ATOM 1521 O PRO A 149 23.683 16.014 0.154 1.00 18.62 O ATOM 1522 CB PRO A 149 25.513 14.851 -2.055 1.00 15.68 C ATOM 1523 CG PRO A 149 26.002 15.719 -3.178 1.00 18.02 C ATOM 1524 CD PRO A 149 25.138 16.955 -3.107 1.00 12.90 C ATOM 1525 HA PRO A 149 23.452 14.278 -2.567 1.00 0.00 H ATOM 1526 HD3 PRO A 149 25.513 17.662 -2.367 1.00 0.00 H ATOM 1527 HD2 PRO A 149 25.068 17.449 -4.076 1.00 0.00 H ATOM 1528 HG3 PRO A 149 25.876 15.216 -4.137 1.00 0.00 H ATOM 1529 HG2 PRO A 149 27.052 15.975 -3.038 1.00 0.00 H ATOM 1530 HB2 PRO A 149 25.951 15.160 -1.106 1.00 0.00 H ATOM 1531 HB3 PRO A 149 25.753 13.804 -2.241 1.00 0.00 H ATOM 1532 N VAL A 150 22.673 14.077 -0.291 1.00 17.19 N ATOM 1533 CA VAL A 150 22.075 13.955 1.039 1.00 20.99 C ATOM 1534 C VAL A 150 22.511 12.617 1.621 1.00 25.27 C ATOM 1535 O VAL A 150 22.353 11.594 0.942 1.00 17.26 O ATOM 1536 CB VAL A 150 20.544 14.064 0.961 1.00 19.49 C ATOM 1537 CG1 VAL A 150 19.884 13.721 2.291 1.00 21.19 C ATOM 1538 CG2 VAL A 150 20.133 15.461 0.513 1.00 15.07 C ATOM 1539 HA VAL A 150 22.412 14.766 1.685 1.00 0.00 H ATOM 1540 HB VAL A 150 20.201 13.337 0.224 1.00 0.00 H ATOM 1541 HG11 VAL A 150 20.141 12.699 2.570 1.00 0.00 H ATOM 1542 HG12 VAL A 150 20.238 14.409 3.059 1.00 0.00 H ATOM 1543 HG13 VAL A 150 18.802 13.811 2.192 1.00 0.00 H ATOM 1544 HG21 VAL A 150 20.506 16.195 1.228 1.00 0.00 H ATOM 1545 HG22 VAL A 150 20.555 15.664 -0.471 1.00 0.00 H ATOM 1546 HG23 VAL A 150 19.046 15.520 0.463 1.00 0.00 H ATOM 1547 H VAL A 150 22.483 13.335 -0.995 1.00 0.00 H ATOM 1548 N PHE A 151 23.065 12.587 2.829 1.00 21.52 N ATOM 1549 CA PHE A 151 23.621 11.349 3.371 1.00 17.66 C ATOM 1550 C PHE A 151 22.765 10.756 4.467 1.00 18.84 C ATOM 1551 O PHE A 151 22.420 11.454 5.418 1.00 19.45 O ATOM 1552 CB PHE A 151 25.023 11.608 3.946 1.00 21.26 C ATOM 1553 CG PHE A 151 26.050 11.922 2.876 1.00 18.91 C ATOM 1554 CD1 PHE A 151 26.139 13.202 2.353 1.00 22.12 C ATOM 1555 CD2 PHE A 151 26.905 10.947 2.402 1.00 17.91 C ATOM 1556 CE1 PHE A 151 27.071 13.491 1.378 1.00 19.92 C ATOM 1557 CE2 PHE A 151 27.849 11.229 1.437 1.00 24.32 C ATOM 1558 CZ PHE A 151 27.927 12.512 0.927 1.00 23.29 C ATOM 1559 HA PHE A 151 23.660 10.641 2.544 1.00 0.00 H ATOM 1560 HB2 PHE A 151 24.967 12.452 4.633 1.00 0.00 H ATOM 1561 HB3 PHE A 151 25.346 10.720 4.489 1.00 0.00 H ATOM 1562 HD2 PHE A 151 26.832 9.934 2.798 1.00 0.00 H ATOM 1563 HE2 PHE A 151 28.525 10.451 1.081 1.00 0.00 H ATOM 1564 HZ PHE A 151 28.669 12.749 0.165 1.00 0.00 H ATOM 1565 HE1 PHE A 151 27.130 14.497 0.964 1.00 0.00 H ATOM 1566 HD1 PHE A 151 25.470 13.984 2.713 1.00 0.00 H ATOM 1567 H PHE A 151 23.103 13.457 3.397 1.00 0.00 H ATOM 1568 N THR A 152 22.414 9.477 4.348 1.00 11.96 N ATOM 1569 CA THR A 152 21.666 8.832 5.408 1.00 12.59 C ATOM 1570 C THR A 152 22.272 7.456 5.686 1.00 11.49 C ATOM 1571 O THR A 152 23.181 7.028 4.978 1.00 15.99 O ATOM 1572 CB THR A 152 20.179 8.615 5.077 1.00 20.19 C ATOM 1573 OG1 THR A 152 20.115 7.615 4.052 1.00 20.27 O ATOM 1574 CG2 THR A 152 19.551 9.880 4.525 1.00 21.87 C ATOM 1575 HA THR A 152 21.726 9.501 6.267 1.00 0.00 H ATOM 1576 HB THR A 152 19.647 8.324 5.983 1.00 0.00 H ATOM 1577 HG1 THR A 152 20.608 7.931 3.253 1.00 0.00 H ATOM 1578 HG23 THR A 152 19.585 10.662 5.284 1.00 0.00 H ATOM 1579 HG21 THR A 152 20.104 10.204 3.643 1.00 0.00 H ATOM 1580 HG22 THR A 152 18.515 9.681 4.253 1.00 0.00 H ATOM 1581 H THR A 152 22.676 8.942 3.496 1.00 0.00 H ATOM 1582 N ASP A 153 21.740 6.775 6.695 1.00 17.19 N ATOM 1583 CA ASP A 153 22.271 5.419 6.906 1.00 21.45 C ATOM 1584 C ASP A 153 21.966 4.529 5.706 1.00 25.95 C ATOM 1585 O ASP A 153 22.696 3.574 5.452 1.00 16.29 O ATOM 1586 CB ASP A 153 21.703 4.801 8.175 1.00 19.98 C ATOM 1587 CG ASP A 153 22.117 5.479 9.468 1.00 30.34 C ATOM 1588 OD1 ASP A 153 23.134 6.205 9.519 1.00 26.22 O ATOM 1589 OD2 ASP A 153 21.390 5.277 10.469 1.00 39.54 O ATOM 1590 HA ASP A 153 23.352 5.498 7.017 1.00 0.00 H ATOM 1591 HB2 ASP A 153 20.616 4.836 8.109 1.00 0.00 H ATOM 1592 HB3 ASP A 153 22.030 3.762 8.220 1.00 0.00 H ATOM 1593 H ASP A 153 20.994 7.176 7.299 1.00 0.00 H ATOM 1594 N SER A 154 20.899 4.792 4.946 1.00 19.82 N ATOM 1595 CA SER A 154 20.646 3.947 3.771 1.00 15.08 C ATOM 1596 C SER A 154 21.662 4.159 2.662 1.00 13.19 C ATOM 1597 O SER A 154 21.930 3.265 1.846 1.00 17.42 O ATOM 1598 CB SER A 154 19.235 4.210 3.222 1.00 16.04 C ATOM 1599 OG SER A 154 18.219 3.832 4.131 1.00 21.20 O ATOM 1600 HA SER A 154 20.736 2.914 4.106 1.00 0.00 H ATOM 1601 HB2 SER A 154 19.107 3.643 2.300 1.00 0.00 H ATOM 1602 HB3 SER A 154 19.135 5.274 3.009 1.00 0.00 H ATOM 1603 HG SER A 154 18.295 2.864 4.325 1.00 0.00 H ATOM 1604 H SER A 154 20.261 5.579 5.181 1.00 0.00 H ATOM 1605 N GLY A 155 22.269 5.342 2.541 1.00 18.12 N ATOM 1606 CA GLY A 155 23.210 5.587 1.453 1.00 18.86 C ATOM 1607 C GLY A 155 23.165 7.038 1.005 1.00 19.97 C ATOM 1608 O GLY A 155 22.946 7.914 1.848 1.00 17.84 O ATOM 1609 HA3 GLY A 155 22.954 4.946 0.610 1.00 0.00 H ATOM 1610 HA2 GLY A 155 24.218 5.351 1.794 1.00 0.00 H ATOM 1611 H GLY A 155 22.069 6.096 3.229 1.00 0.00 H ATOM 1612 N ILE A 156 23.372 7.352 -0.274 1.00 16.27 N ATOM 1613 CA ILE A 156 23.443 8.762 -0.680 1.00 13.41 C ATOM 1614 C ILE A 156 22.328 9.087 -1.691 1.00 21.65 C ATOM 1615 O ILE A 156 22.151 8.315 -2.627 1.00 18.48 O ATOM 1616 CB ILE A 156 24.792 9.151 -1.282 1.00 12.10 C ATOM 1617 CG1 ILE A 156 26.001 8.561 -0.536 1.00 17.22 C ATOM 1618 CG2 ILE A 156 24.959 10.658 -1.407 1.00 14.15 C ATOM 1619 CD1 ILE A 156 27.288 8.810 -1.302 1.00 14.99 C ATOM 1620 HA ILE A 156 23.313 9.344 0.232 1.00 0.00 H ATOM 1621 HB ILE A 156 24.776 8.710 -2.279 1.00 0.00 H ATOM 1622 HG12 ILE A 156 26.075 9.026 0.447 1.00 0.00 H ATOM 1623 HG13 ILE A 156 25.858 7.487 -0.418 1.00 0.00 H ATOM 1624 HD11 ILE A 156 27.221 8.343 -2.284 1.00 0.00 H ATOM 1625 HD12 ILE A 156 27.438 9.883 -1.418 1.00 0.00 H ATOM 1626 HD13 ILE A 156 28.126 8.382 -0.751 1.00 0.00 H ATOM 1627 HG21 ILE A 156 24.175 11.057 -2.051 1.00 0.00 H ATOM 1628 HG22 ILE A 156 24.887 11.113 -0.419 1.00 0.00 H ATOM 1629 HG23 ILE A 156 25.934 10.879 -1.840 1.00 0.00 H ATOM 1630 H ILE A 156 23.483 6.600 -0.983 1.00 0.00 H ATOM 1631 N HIS A 157 21.643 10.193 -1.465 1.00 20.23 N ATOM 1632 CA HIS A 157 20.445 10.615 -2.155 1.00 22.00 C ATOM 1633 C HIS A 157 20.570 11.954 -2.874 1.00 27.22 C ATOM 1634 O HIS A 157 21.277 12.870 -2.463 1.00 21.27 O ATOM 1635 CB HIS A 157 19.282 10.788 -1.173 1.00 13.82 C ATOM 1636 CG HIS A 157 19.047 9.725 -0.158 1.00 18.76 C ATOM 1637 ND1 HIS A 157 17.917 8.945 -0.183 1.00 16.32 N ATOM 1638 CD2 HIS A 157 19.758 9.313 0.925 1.00 18.77 C ATOM 1639 CE1 HIS A 157 17.938 8.088 0.830 1.00 20.31 C ATOM 1640 NE2 HIS A 157 19.047 8.291 1.519 1.00 16.71 N ATOM 1641 HA HIS A 157 20.274 9.825 -2.886 1.00 0.00 H ATOM 1642 HB2 HIS A 157 19.453 11.718 -0.632 1.00 0.00 H ATOM 1643 HB3 HIS A 157 18.371 10.876 -1.765 1.00 0.00 H ATOM 1644 HD2 HIS A 157 20.713 9.716 1.262 1.00 0.00 H ATOM 1645 HE1 HIS A 157 17.173 7.345 1.055 1.00 0.00 H ATOM 1646 H HIS A 157 22.000 10.822 -0.718 1.00 0.00 H ATOM 1647 N ILE A 158 19.810 12.048 -3.965 1.00 18.97 N ATOM 1648 CA ILE A 158 19.428 13.364 -4.473 1.00 15.54 C ATOM 1649 C ILE A 158 17.901 13.396 -4.428 1.00 15.52 C ATOM 1650 O ILE A 158 17.238 12.376 -4.645 1.00 20.19 O ATOM 1651 CB ILE A 158 19.971 13.718 -5.859 1.00 22.85 C ATOM 1652 CG1 ILE A 158 19.716 12.700 -6.966 1.00 28.64 C ATOM 1653 CG2 ILE A 158 21.466 14.027 -5.733 1.00 22.41 C ATOM 1654 CD1 ILE A 158 20.419 13.017 -8.269 1.00 35.10 C ATOM 1655 HA ILE A 158 19.882 14.132 -3.847 1.00 0.00 H ATOM 1656 HB ILE A 158 19.404 14.589 -6.187 1.00 0.00 H ATOM 1657 HG12 ILE A 158 20.058 11.725 -6.620 1.00 0.00 H ATOM 1658 HG13 ILE A 158 18.643 12.661 -7.156 1.00 0.00 H ATOM 1659 HD11 ILE A 158 20.080 13.985 -8.637 1.00 0.00 H ATOM 1660 HD12 ILE A 158 21.496 13.048 -8.101 1.00 0.00 H ATOM 1661 HD13 ILE A 158 20.186 12.246 -9.003 1.00 0.00 H ATOM 1662 HG21 ILE A 158 21.606 14.867 -5.053 1.00 0.00 H ATOM 1663 HG22 ILE A 158 21.985 13.152 -5.343 1.00 0.00 H ATOM 1664 HG23 ILE A 158 21.867 14.281 -6.714 1.00 0.00 H ATOM 1665 H ILE A 158 19.490 11.187 -4.453 1.00 0.00 H ATOM 1666 N ILE A 159 17.343 14.548 -4.089 1.00 14.52 N ATOM 1667 CA ILE A 159 15.918 14.627 -3.792 1.00 15.44 C ATOM 1668 C ILE A 159 15.300 15.751 -4.623 1.00 15.75 C ATOM 1669 O ILE A 159 15.925 16.806 -4.757 1.00 15.67 O ATOM 1670 CB ILE A 159 15.655 14.932 -2.305 1.00 18.39 C ATOM 1671 CG1 ILE A 159 16.360 13.967 -1.341 1.00 17.91 C ATOM 1672 CG2 ILE A 159 14.160 15.018 -2.028 1.00 15.00 C ATOM 1673 CD1 ILE A 159 16.330 14.389 0.106 1.00 16.15 C ATOM 1674 HA ILE A 159 15.475 13.660 -4.031 1.00 0.00 H ATOM 1675 HB ILE A 159 16.101 15.907 -2.108 1.00 0.00 H ATOM 1676 HG12 ILE A 159 15.877 12.993 -1.421 1.00 0.00 H ATOM 1677 HG13 ILE A 159 17.402 13.881 -1.648 1.00 0.00 H ATOM 1678 HD11 ILE A 159 16.822 15.356 0.211 1.00 0.00 H ATOM 1679 HD12 ILE A 159 15.295 14.468 0.439 1.00 0.00 H ATOM 1680 HD13 ILE A 159 16.852 13.647 0.710 1.00 0.00 H ATOM 1681 HG21 ILE A 159 13.725 15.813 -2.633 1.00 0.00 H ATOM 1682 HG22 ILE A 159 13.690 14.068 -2.281 1.00 0.00 H ATOM 1683 HG23 ILE A 159 13.999 15.234 -0.972 1.00 0.00 H ATOM 1684 H ILE A 159 17.928 15.406 -4.034 1.00 0.00 H ATOM 1685 N LEU A 160 14.107 15.470 -5.128 1.00 18.56 N ATOM 1686 CA LEU A 160 13.345 16.438 -5.910 1.00 12.76 C ATOM 1687 C LEU A 160 11.998 16.651 -5.254 1.00 15.01 C ATOM 1688 O LEU A 160 11.195 15.730 -5.131 1.00 17.94 O ATOM 1689 CB LEU A 160 13.169 15.966 -7.354 1.00 21.07 C ATOM 1690 CG LEU A 160 12.170 16.791 -8.179 1.00 21.90 C ATOM 1691 CD1 LEU A 160 12.759 18.134 -8.540 1.00 18.96 C ATOM 1692 CD2 LEU A 160 11.764 16.023 -9.430 1.00 35.60 C ATOM 1693 HA LEU A 160 13.892 17.380 -5.939 1.00 0.00 H ATOM 1694 HB2 LEU A 160 14.139 16.013 -7.848 1.00 0.00 H ATOM 1695 HB3 LEU A 160 12.823 14.933 -7.334 1.00 0.00 H ATOM 1696 HG LEU A 160 11.279 16.966 -7.576 1.00 0.00 H ATOM 1697 HD21 LEU A 160 12.648 15.822 -10.035 1.00 0.00 H ATOM 1698 HD22 LEU A 160 11.298 15.081 -9.141 1.00 0.00 H ATOM 1699 HD23 LEU A 160 11.056 16.618 -10.006 1.00 0.00 H ATOM 1700 HD11 LEU A 160 13.001 18.680 -7.628 1.00 0.00 H ATOM 1701 HD12 LEU A 160 13.665 17.986 -9.127 1.00 0.00 H ATOM 1702 HD13 LEU A 160 12.035 18.702 -9.124 1.00 0.00 H ATOM 1703 H LEU A 160 13.700 14.527 -4.961 1.00 0.00 H ATOM 1704 N ARG A 161 11.740 17.876 -4.788 1.00 16.57 N ATOM 1705 CA ARG A 161 10.444 18.133 -4.180 1.00 13.77 C ATOM 1706 C ARG A 161 9.414 18.431 -5.273 1.00 20.85 C ATOM 1707 O ARG A 161 9.654 19.277 -6.132 1.00 15.82 O ATOM 1708 CB ARG A 161 10.492 19.308 -3.195 1.00 14.94 C ATOM 1709 CG ARG A 161 9.165 19.463 -2.464 1.00 17.01 C ATOM 1710 CD ARG A 161 9.200 20.527 -1.378 1.00 19.62 C ATOM 1711 NE ARG A 161 7.832 20.901 -1.026 1.00 21.34 N ATOM 1712 CZ ARG A 161 7.435 22.061 -0.523 1.00 22.90 C ATOM 1713 NH1 ARG A 161 8.307 23.033 -0.287 1.00 22.25 N ATOM 1714 NH2 ARG A 161 6.145 22.244 -0.259 1.00 20.47 N ATOM 1715 HA ARG A 161 10.160 17.241 -3.622 1.00 0.00 H ATOM 1716 HB2 ARG A 161 11.282 19.130 -2.466 1.00 0.00 H ATOM 1717 HB3 ARG A 161 10.706 20.225 -3.744 1.00 0.00 H ATOM 1718 HG2 ARG A 161 8.399 19.734 -3.190 1.00 0.00 H ATOM 1719 HG3 ARG A 161 8.908 18.508 -2.006 1.00 0.00 H ATOM 1720 HD2 ARG A 161 9.735 21.403 -1.743 1.00 0.00 H ATOM 1721 HD3 ARG A 161 9.708 20.133 -0.498 1.00 0.00 H ATOM 1722 HE ARG A 161 7.096 20.184 -1.186 1.00 0.00 H ATOM 1723 HH12 ARG A 161 7.982 23.939 0.108 1.00 0.00 H ATOM 1724 HH11 ARG A 161 9.315 22.889 -0.497 1.00 0.00 H ATOM 1725 HH22 ARG A 161 5.818 23.149 0.136 1.00 0.00 H ATOM 1726 HH21 ARG A 161 5.462 21.482 -0.447 1.00 0.00 H ATOM 1727 H ARG A 161 12.452 18.631 -4.859 1.00 0.00 H ATOM 1728 N THR A 162 8.281 17.737 -5.235 1.00 24.42 N ATOM 1729 CA THR A 162 7.281 17.942 -6.279 1.00 24.94 C ATOM 1730 C THR A 162 6.017 18.579 -5.739 1.00 23.64 C ATOM 1731 O THR A 162 5.240 19.180 -6.490 1.00 22.86 O ATOM 1732 CB THR A 162 6.931 16.602 -6.949 1.00 24.23 C ATOM 1733 OG1 THR A 162 6.473 15.685 -5.948 1.00 22.60 O ATOM 1734 CG2 THR A 162 8.173 15.994 -7.575 1.00 16.24 C ATOM 1735 HA THR A 162 7.715 18.623 -7.011 1.00 0.00 H ATOM 1736 HB THR A 162 6.168 16.780 -7.707 1.00 0.00 H ATOM 1737 HG1 THR A 162 6.246 14.820 -6.373 1.00 0.00 H ATOM 1738 HG23 THR A 162 8.555 16.664 -8.346 1.00 0.00 H ATOM 1739 HG21 THR A 162 8.933 15.851 -6.807 1.00 0.00 H ATOM 1740 HG22 THR A 162 7.920 15.032 -8.021 1.00 0.00 H ATOM 1741 H THR A 162 8.108 17.055 -4.469 1.00 0.00 H ATOM 1742 N GLU A 163 5.740 18.454 -4.440 1.00 16.82 N ATOM 1743 CA GLU A 163 4.584 19.151 -3.885 1.00 21.89 C ATOM 1744 C GLU A 163 4.891 19.585 -2.450 1.00 20.28 C ATOM 1745 O GLU A 163 5.759 18.937 -1.834 1.00 16.44 O ATOM 1746 CB GLU A 163 3.306 18.308 -3.870 1.00 23.26 C ATOM 1747 CG GLU A 163 2.898 17.689 -5.191 1.00 21.14 C ATOM 1748 CD GLU A 163 1.763 16.695 -5.089 1.00 25.07 C ATOM 1749 OE1 GLU A 163 1.078 16.592 -4.042 1.00 22.08 O ATOM 1750 OE2 GLU A 163 1.558 15.991 -6.106 1.00 21.00 O ATOM 1751 HA GLU A 163 4.403 20.006 -4.536 1.00 0.00 H ATOM 1752 OXT GLU A 163 4.239 20.528 -1.973 1.00 15.58 O ATOM 1753 HB2 GLU A 163 3.449 17.499 -3.153 1.00 0.00 H ATOM 1754 HB3 GLU A 163 2.489 18.948 -3.536 1.00 0.00 H ATOM 1755 HG2 GLU A 163 2.591 18.490 -5.863 1.00 0.00 H ATOM 1756 HG3 GLU A 163 3.764 17.177 -5.610 1.00 0.00 H ATOM 1757 H GLU A 163 6.342 17.866 -3.829 1.00 0.00 H TER 1758 GLU A 163 HETATM 1759 O HOH 1 14.204 5.976 -6.401 1.00 20.05 O HETATM 1760 O HOH 2 25.814 16.962 1.535 1.00 18.72 O HETATM 1761 O HOH 3 23.340 -0.796 -7.499 1.00 19.37 O HETATM 1762 O HOH 4 10.208 12.610 7.954 1.00 25.01 O HETATM 1763 O HOH 5 27.756 18.032 -7.977 1.00 25.11 O HETATM 1764 O HOH 6 -1.120 10.150 1.337 1.00 21.51 O HETATM 1765 O HOH 7 1.301 15.874 -1.311 1.00 19.49 O HETATM 1766 O HOH 8 7.209 13.079 -6.313 1.00 19.26 O HETATM 1767 O HOH 9 22.518 3.058 -7.732 1.00 22.49 O HETATM 1768 O HOH 10 16.538 -6.573 -10.797 1.00 25.71 O HETATM 1769 O HOH 11 32.425 1.848 1.038 1.00 24.90 O HETATM 1770 O HOH 12 9.014 11.316 -9.972 1.00 26.32 O HETATM 1771 O HOH 13 35.109 5.009 -0.350 1.00 33.44 O HETATM 1772 O HOH 14 -0.486 19.182 -3.653 1.00 25.54 O HETATM 1773 O HOH 15 19.463 2.888 10.338 1.00 35.53 O HETATM 1774 O HOH 16 21.776 19.650 -6.778 1.00 21.75 O HETATM 1775 O HOH 17 33.530 11.001 -4.220 1.00 20.72 O HETATM 1776 O HOH 18 25.981 -8.052 -6.744 1.00 32.16 O HETATM 1777 O HOH 19 12.215 14.476 -13.959 1.00 31.05 O HETATM 1778 O HOH 20 19.002 22.917 -3.502 1.00 47.35 O HETATM 1779 O HOH 21 23.098 14.974 4.207 1.00 32.37 O HETATM 1780 O HOH 22 20.397 16.743 5.421 1.00 34.32 O HETATM 1781 O HOH 23 25.080 -7.497 1.354 1.00 24.64 O HETATM 1782 O HOH 24 27.545 -1.624 -6.421 1.00 22.15 O HETATM 1783 O HOH 25 2.679 20.110 0.311 1.00 31.88 O HETATM 1784 O HOH 26 17.670 20.568 0.567 1.00 35.10 O HETATM 1785 O HOH 27 15.639 -2.030 -3.357 1.00 26.52 O HETATM 1786 O HOH 28 24.178 4.260 -9.812 1.00 32.12 O HETATM 1787 O HOH 29 2.983 22.318 -3.342 1.00 39.04 O HETATM 1788 O HOH 30 20.121 22.107 -9.831 1.00 54.06 O HETATM 1789 O HOH 31 0.429 20.694 1.576 1.00 50.72 O HETATM 1790 O HOH 32 5.189 17.696 9.193 1.00 34.92 O HETATM 1791 O HOH 33 24.490 10.355 -19.336 1.00 42.92 O HETATM 1792 O HOH 34 30.641 18.329 -8.644 1.00 39.08 O HETATM 1793 O HOH 35 31.170 12.467 -10.564 1.00 37.40 O HETATM 1794 O HOH 36 11.667 -2.002 -7.808 1.00 38.41 O HETATM 1795 O HOH 37 31.591 -2.384 -7.475 1.00 32.86 O HETATM 1796 O HOH 38 28.740 1.410 -9.345 1.00 22.83 O HETATM 1797 O HOH 39 6.217 20.033 -9.283 1.00 44.76 O HETATM 1798 O HOH 40 11.761 22.598 -11.405 1.00 32.28 O HETATM 1799 O HOH 41 17.583 15.101 -21.354 1.00 27.61 O HETATM 1800 O HOH 42 32.192 13.025 -6.064 1.00 27.71 O HETATM 1801 O HOH 43 14.169 21.251 6.948 1.00 25.38 O HETATM 1802 O HOH 44 28.965 -1.283 -8.578 1.00 32.05 O HETATM 1803 O HOH 45 13.600 0.139 -1.126 1.00 31.61 O HETATM 1804 O HOH 46 12.240 -1.374 -10.180 1.00 34.95 O HETATM 1805 O HOH 47 17.462 10.878 -19.150 1.00 37.86 O HETATM 1806 O HOH 48 26.011 16.890 -19.086 1.00 29.29 O HETATM 1807 O HOH 49 16.502 -1.092 -1.274 1.00 40.74 O HETATM 1808 O HOH 50 20.167 8.304 8.493 1.00 36.07 O HETATM 1809 O HOH 51 27.255 -10.936 -6.935 1.00 59.71 O HETATM 1810 O HOH 52 8.260 9.831 14.640 1.00 34.82 O HETATM 1811 O HOH 53 6.020 20.314 8.742 1.00 33.10 O HETATM 1812 O HOH 54 12.200 15.793 12.935 1.00 32.76 O HETATM 1813 O HOH 55 5.062 9.621 6.574 1.00 46.42 O HETATM 1814 O HOH 56 23.874 13.037 6.941 1.00 36.00 O HETATM 1815 O HOH 57 25.846 2.248 -11.281 1.00 43.08 O HETATM 1816 O HOH 58 24.724 5.268 -14.106 1.00 37.38 O HETATM 1817 O HOH 59 4.394 9.333 13.175 1.00 43.08 O HETATM 1818 O HOH 60 34.338 -1.663 -5.460 1.00 47.71 O HETATM 1819 O HOH 61 13.562 6.584 6.136 1.00 32.19 O HETATM 1820 O HOH 62 35.074 1.946 1.310 1.00 35.15 O HETATM 1821 O HOH 63 15.040 25.997 -0.946 1.00 38.85 O HETATM 1822 O HOH 64 18.258 24.825 -6.509 1.00 43.00 O HETATM 1823 O HOH 65 36.843 4.099 -4.051 1.00 28.40 O HETATM 1824 O HOH 66 7.659 26.059 -2.431 1.00 43.62 O HETATM 1825 O HOH 67 5.793 12.946 -12.410 1.00 40.96 O HETATM 1826 O HOH 68 11.599 1.903 -12.772 1.00 41.07 O HETATM 1827 O HOH 69 -0.794 21.141 5.393 1.00 40.68 O HETATM 1828 O HOH 70 26.843 9.554 -12.519 1.00 31.52 O HETATM 1829 O HOH 71 0.000 8.516 0.000 1.00 66.10 O HETATM 1830 O HOH 72 24.676 0.970 -13.452 1.00 45.67 O HETATM 1831 O HOH 73 37.872 4.250 -1.353 1.00 39.53 O HETATM 1832 O HOH 74 31.551 5.826 -9.584 1.00 38.36 O HETATM 1833 O HOH 75 30.855 14.892 -11.472 1.00 38.01 O HETATM 1834 O HOH 76 3.010 20.850 -6.818 1.00 38.17 O HETATM 1835 O HOH 77 5.304 13.289 -8.662 1.00 37.88 O HETATM 1836 O HOH 78 2.088 10.872 6.192 1.00 35.33 O HETATM 1837 O HOH 79 10.617 11.725 -17.318 1.00 45.79 O HETATM 1838 O HOH 80 24.411 -9.143 -0.302 1.00 44.40 O HETATM 1839 O HOH 81 20.761 0.515 2.981 1.00 18.76 O HETATM 1840 O HOH 82 22.401 18.660 -0.236 1.00 42.84 O HETATM 1841 O HOH 83 20.832 -12.496 -6.767 1.00 42.29 O HETATM 1842 O HOH 84 5.672 5.597 -4.470 1.00 39.32 O HETATM 1843 O HOH 85 23.755 6.909 -17.169 1.00 54.89 O HETATM 1844 O HOH 86 3.131 15.888 -7.771 1.00 38.27 O HETATM 1845 O HOH 87 5.886 9.536 -12.990 1.00 41.01 O HETATM 1846 O HOH 88 27.369 19.063 -20.821 1.00 46.05 O HETATM 1847 O HOH 89 25.923 3.786 6.420 1.00 40.00 O HETATM 1848 O HOH 90 40.805 7.351 -3.258 1.00 85.47 O HETATM 1849 O HOH 91 24.065 8.947 -16.173 1.00 49.61 O HETATM 1850 O HOH 92 15.686 26.189 2.615 1.00 51.81 O HETATM 1851 O HOH 93 29.377 -5.868 -8.127 1.00 37.24 O HETATM 1852 O HOH 94 5.224 8.706 1.577 1.00 44.54 O HETATM 1853 O HOH 95 7.261 9.617 -10.406 1.00 43.92 O HETATM 1854 O HOH 96 25.834 7.060 3.597 1.00 59.65 O HETATM 1855 O HOH 97 0.000 17.843 0.000 1.00 41.64 O HETATM 1856 O HOH 98 15.497 4.204 10.367 1.00 37.02 O HETATM 1857 O HOH 99 21.053 22.474 -2.580 1.00 39.97 O HETATM 1858 O HOH 100 38.611 1.912 -2.137 1.00 47.81 O HETATM 1859 O HOH 101 1.685 20.637 -9.425 1.00 46.72 O HETATM 1860 O HOH 102 13.746 3.333 7.104 1.00 48.17 O HETATM 1861 O HOH 103 20.219 -9.460 0.382 1.00 51.06 O HETATM 1862 O HOH 104 40.206 10.654 -4.909 1.00 64.09 O HETATM 1863 O HOH 105 14.390 26.418 -6.061 1.00 65.84 O HETATM 1864 O HOH 106 32.549 3.613 7.974 1.00 61.67 O HETATM 1865 O HOH 107 18.207 12.902 -22.316 1.00 71.01 O HETATM 1866 O HOH 108 23.727 -11.271 -1.576 1.00 38.43 O HETATM 1867 N1 J A 8 13.403 2.904 1.250 1.00 -0.28 N HETATM 1868 C2 J A 8 14.655 2.829 1.991 1.00 0.08 C HETATM 1869 C3 J A 8 15.362 1.497 1.670 1.00 0.10 C HETATM 1870 O4 J A 8 16.755 1.647 1.964 1.00 -0.27 O HETATM 1871 P7 J A 8 17.104 0.551 3.120 1.00 0.20 P HETATM 1872 O8 J A 8 17.257 -0.763 2.466 1.00 -0.55 O HETATM 1873 O9 J A 8 18.494 0.964 3.820 1.00 -0.55 O HETATM 1874 O10 J A 8 15.933 0.561 4.206 1.00 -0.55 O HETATM 1875 H3 J A 8 15.230 1.253 0.606 1.00 0.06 H HETATM 1876 H4 J A 8 14.936 0.692 2.286 1.00 0.06 H HETATM 1877 C20 J A 8 15.544 3.952 1.393 1.00 0.00 C HETATM 1878 C22 J A 8 15.054 5.363 1.727 1.00 -0.05 C HETATM 1879 C21 J A 8 14.010 5.976 1.000 1.00 -0.07 C HETATM 1880 C26 J A 8 13.565 7.267 1.329 1.00 -0.08 C HETATM 1881 C25 J A 8 14.172 7.974 2.371 1.00 -0.07 C HETATM 1882 C24 J A 8 15.201 7.360 3.105 1.00 -0.05 C HETATM 1883 C23 J A 8 15.637 6.069 2.783 1.00 -0.06 C HETATM 1884 H13 J A 8 16.434 5.613 3.358 1.00 0.05 H HETATM 1885 C27 J A 8 15.891 8.144 4.225 1.00 -0.03 C HETATM 1886 H16 J A 8 16.665 7.515 4.689 1.00 0.04 H HETATM 1887 H17 J A 8 15.148 8.431 4.984 1.00 0.04 H HETATM 1888 H18 J A 8 16.356 9.049 3.807 1.00 0.04 H HETATM 1889 H14 J A 8 13.853 8.982 2.610 1.00 0.05 H HETATM 1890 H15 J A 8 12.749 7.716 0.774 1.00 0.06 H HETATM 1891 H12 J A 8 13.546 5.444 0.178 1.00 0.05 H HETATM 1892 H10 J A 8 15.559 3.839 0.299 1.00 0.04 H HETATM 1893 H11 J A 8 16.564 3.836 1.788 1.00 0.04 H HETATM 1894 H2 J A 8 14.497 2.951 3.073 1.00 0.06 H HETATM 1895 C5 J A 8 12.271 3.314 1.862 1.00 0.21 C HETATM 1896 O6 J A 8 12.251 3.651 3.029 1.00 -0.39 O HETATM 1897 C11 J A 8 11.111 3.541 0.999 1.00 0.10 C HETATM 1898 C12 J A 8 10.753 2.972 -0.171 1.00 -0.04 C HETATM 1899 C13 J A 8 9.558 3.377 -0.790 1.00 -0.01 C HETATM 1900 C14 J A 8 8.824 4.385 -0.111 1.00 0.04 C HETATM 1901 S15 J A 8 9.802 4.712 1.324 1.00 -0.02 S HETATM 1902 C19 J A 8 7.660 4.925 -0.613 1.00 -0.05 C HETATM 1903 C18 J A 8 7.162 4.440 -1.799 1.00 -0.07 C HETATM 1904 C17 J A 8 7.861 3.446 -2.487 1.00 -0.07 C HETATM 1905 C16 J A 8 9.009 2.903 -1.996 1.00 -0.06 C HETATM 1906 H6 J A 8 9.502 2.103 -2.536 1.00 0.06 H HETATM 1907 H7 J A 8 7.479 3.097 -3.439 1.00 0.06 H HETATM 1908 H8 J A 8 6.231 4.827 -2.198 1.00 0.06 H HETATM 1909 H9 J A 8 7.146 5.718 -0.082 1.00 0.06 H HETATM 1910 H5 J A 8 11.381 2.210 -0.629 1.00 0.05 H HETATM 1911 H1 J A 8 13.382 2.651 0.283 1.00 0.18 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1867 1868 1895 1911 CONECT 1868 1867 1869 1877 1894 CONECT 1869 1868 1870 1875 1876 CONECT 1870 1869 1871 CONECT 1871 1870 1872 1873 1874 CONECT 1872 1871 CONECT 1873 1871 CONECT 1874 1871 CONECT 1875 1869 CONECT 1876 1869 CONECT 1877 1868 1878 1892 1893 CONECT 1878 1877 1879 1883 CONECT 1879 1878 1880 1891 CONECT 1880 1879 1881 1890 CONECT 1881 1880 1882 1889 CONECT 1882 1881 1883 1885 CONECT 1883 1878 1882 1884 CONECT 1884 1883 CONECT 1885 1882 1886 1887 1888 CONECT 1886 1885 CONECT 1887 1885 CONECT 1888 1885 CONECT 1889 1881 CONECT 1890 1880 CONECT 1891 1879 CONECT 1892 1877 CONECT 1893 1877 CONECT 1894 1868 CONECT 1895 1867 1896 1897 CONECT 1896 1895 CONECT 1897 1895 1898 1901 CONECT 1898 1897 1899 1910 CONECT 1899 1898 1900 1905 CONECT 1900 1899 1901 1902 CONECT 1901 1897 1900 CONECT 1902 1900 1903 1909 CONECT 1903 1902 1904 1908 CONECT 1904 1903 1905 1907 CONECT 1905 1899 1904 1906 CONECT 1906 1905 CONECT 1907 1904 CONECT 1908 1903 CONECT 1909 1902 CONECT 1910 1898 CONECT 1911 1867 MASTER 0 0 0 0 0 0 0 0 1910 1 49 9 END
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Related entries of code: 3ikg
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
167aa, >1F8A_1|Chain... *
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RCSB PDB
PDBbind
167aa, >2ITK_1|Chain... at 99%
2xp3
RCSB PDB
PDBbind
167aa, >2XP3_1|Chain... at 99%
2xp4
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PDBbind
167aa, >2XP4_1|Chain... at 99%
2xp5
RCSB PDB
PDBbind
167aa, >2XP5_1|Chain... at 99%
2xp6
RCSB PDB
PDBbind
167aa, >2XP6_1|Chain... at 98%
2xp7
RCSB PDB
PDBbind
167aa, >2XP7_1|Chain... at 99%
2xp8
RCSB PDB
PDBbind
167aa, >2XP8_1|Chain... at 99%
2xpa
RCSB PDB
PDBbind
167aa, >2XPA_1|Chain... at 99%
2xpb
RCSB PDB
PDBbind
167aa, >2XPB_1|Chain... at 99%
3i6c
RCSB PDB
PDBbind
123aa, >3I6C_1|Chains... at 95%
3ikd
RCSB PDB
PDBbind
123aa, >3IKD_1|Chains... at 95%
3jyj
RCSB PDB
PDBbind
123aa, >3JYJ_1|Chains... at 95%
3kab
RCSB PDB
PDBbind
167aa, >3KAB_1|Chain... at 99%
3kac
RCSB PDB
PDBbind
123aa, >3KAC_1|Chains... at 96%
3kad
RCSB PDB
PDBbind
167aa, >3KAD_1|Chain... at 98%
3kaf
RCSB PDB
PDBbind
167aa, >3KAF_1|Chain... at 98%
3kag
RCSB PDB
PDBbind
167aa, >3KAG_1|Chain... at 99%
3kah
RCSB PDB
PDBbind
167aa, >3KAH_1|Chain... at 99%
3kai
RCSB PDB
PDBbind
167aa, >3KAI_1|Chain... at 99%
3kce
RCSB PDB
PDBbind
167aa, >3KCE_1|Chain... at 99%
3ntp
RCSB PDB
PDBbind
167aa, >3NTP_1|Chain... at 99%
3odk
RCSB PDB
PDBbind
167aa, >3ODK_1|Chain... at 99%
3oob
RCSB PDB
PDBbind
163aa, >3OOB_1|Chain... at 99%
3tc5
RCSB PDB
PDBbind
166aa, >3TC5_1|Chain... at 97%
4tyo
RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3ikg
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Ligand Name
J8Z
EC.Number
E.C.5.2.1.8
Resolution
1.86(Å)
Affinity (Kd/Ki/IC50)
Ki=0.057uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Bioorg.Med.Chem.Lett. Vol. 19: pp. 5613-5616
Ligand Properties
Formula
C
1
9
H
2
1
NO
5
PS
Molecular Weight
406.413
Exact Mass
406.088
No. of atoms
48
No. of bonds
50
Polar Surface Area
140.85
LOGP Value
3.00 (
Computed with XLOGP3
)
3.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
Cc1cccc(c1)C[C@@H](NC(=O)c1cc2c(s1)cccc2)COP(O)(O)O
InChI String
InChI=1S/C19H22NO5PS/c1-13-5-4-6-14(9-13)10-16(12-25-26(22,23)24)20-19(21)18-11-15-7-2-3-8-17(15)27-18/h2-9,11,16,22-24,26H,10,12H2,1H3,(H,20,21)/t16-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q13526
Entrez Gene ID
NCBI Entrez Gene ID:
5300
ASD
Information of known allosteric effects of PDB entries
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