Browse entries in the PDBbind-CN Database
HEADER 1MAI_COMPLEX COMPND 1MAI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 GLY LEU GLN ASP ASP PRO ASP LEU GLN ALA LEU LEU LYS SEQRES 2 A 119 GLY SER GLN LEU LEU LYS VAL LYS SER SER SER TRP ARG SEQRES 3 A 119 ARG GLU ARG PHE TYR LYS LEU GLN GLU ASP CYS LYS THR SEQRES 4 A 119 ILE TRP GLN GLU SER ARG LYS VAL MET ARG SER PRO GLU SEQRES 5 A 119 SER GLN LEU PHE SER ILE GLU ASP ILE GLN GLU VAL ARG SEQRES 6 A 119 MET GLY HIS ARG THR GLU GLY LEU GLU LYS PHE ALA ARG SEQRES 7 A 119 ASP ILE PRO GLU ASP ARG CYS PHE SER ILE VAL PHE LYS SEQRES 8 A 119 ASP GLN ARG ASN THR LEU ASP LEU ILE ALA PRO SER PRO SEQRES 9 A 119 ALA ASP ALA GLN HIS TRP VAL GLN GLY LEU ARG LYS ILE SEQRES 10 A 119 ILE HIS HET I A 3P 33 ATOM 1 N GLY A 12 6.715 -1.897 17.650 1.00 66.13 N ATOM 2 CA GLY A 12 7.656 -0.825 17.229 1.00 66.75 C ATOM 3 C GLY A 12 8.009 -1.032 15.773 1.00 66.90 C ATOM 4 O GLY A 12 7.307 -1.771 15.082 1.00 67.55 O ATOM 5 HA3 GLY A 12 8.560 -0.871 17.836 1.00 0.00 H ATOM 6 HA2 GLY A 12 7.184 0.149 17.357 1.00 0.00 H ATOM 7 HN3 GLY A 12 7.169 -2.824 17.525 1.00 0.00 H ATOM 8 HN2 GLY A 12 5.855 -1.850 17.068 1.00 0.00 H ATOM 9 HN1 GLY A 12 6.465 -1.764 18.651 1.00 0.00 H ATOM 10 N LEU A 13 9.075 -0.375 15.317 1.00 66.96 N ATOM 11 CA LEU A 13 9.584 -0.457 13.937 1.00 66.13 C ATOM 12 C LEU A 13 8.524 -0.401 12.845 1.00 64.91 C ATOM 13 O LEU A 13 8.333 0.635 12.214 1.00 66.03 O ATOM 14 CB LEU A 13 10.451 -1.709 13.752 1.00 66.94 C ATOM 15 CG LEU A 13 11.205 -1.858 12.427 1.00 67.52 C ATOM 16 CD1 LEU A 13 12.277 -0.795 12.352 1.00 67.32 C ATOM 17 CD2 LEU A 13 11.832 -3.247 12.308 1.00 68.59 C ATOM 18 HA LEU A 13 10.179 0.448 13.813 1.00 0.00 H ATOM 19 HB2 LEU A 13 11.192 -1.715 14.552 1.00 0.00 H ATOM 20 HB3 LEU A 13 9.799 -2.576 13.856 1.00 0.00 H ATOM 21 HG LEU A 13 10.503 -1.737 11.602 1.00 0.00 H ATOM 22 HD21 LEU A 13 12.532 -3.400 13.129 1.00 0.00 H ATOM 23 HD22 LEU A 13 11.048 -4.003 12.352 1.00 0.00 H ATOM 24 HD23 LEU A 13 12.361 -3.325 11.358 1.00 0.00 H ATOM 25 HD11 LEU A 13 11.814 0.190 12.405 1.00 0.00 H ATOM 26 HD12 LEU A 13 12.968 -0.918 13.186 1.00 0.00 H ATOM 27 HD13 LEU A 13 12.819 -0.893 11.412 1.00 0.00 H ATOM 28 H LEU A 13 9.584 0.240 15.983 1.00 0.00 H ATOM 29 N GLN A 14 7.850 -1.526 12.627 1.00 64.35 N ATOM 30 CA GLN A 14 6.805 -1.634 11.619 1.00 62.28 C ATOM 31 C GLN A 14 5.557 -0.850 12.013 1.00 57.87 C ATOM 32 O GLN A 14 4.818 -0.373 11.148 1.00 57.94 O ATOM 33 CB GLN A 14 6.452 -3.111 11.374 1.00 66.43 C ATOM 34 CG GLN A 14 6.627 -3.578 9.908 1.00 72.24 C ATOM 35 CD GLN A 14 8.098 -3.622 9.423 1.00 75.28 C ATOM 36 OE1 GLN A 14 8.987 -2.965 9.986 1.00 75.65 O ATOM 37 NE2 GLN A 14 8.345 -4.398 8.364 1.00 75.34 N ATOM 38 HA GLN A 14 7.190 -1.200 10.696 1.00 0.00 H ATOM 39 HB2 GLN A 14 7.094 -3.724 12.006 1.00 0.00 H ATOM 40 HB3 GLN A 14 5.411 -3.264 11.659 1.00 0.00 H ATOM 41 HG2 GLN A 14 6.207 -4.580 9.816 1.00 0.00 H ATOM 42 HG3 GLN A 14 6.075 -2.894 9.263 1.00 0.00 H ATOM 43 HE22 GLN A 14 7.572 -4.933 7.920 1.00 0.00 H ATOM 44 HE21 GLN A 14 9.310 -4.467 7.984 1.00 0.00 H ATOM 45 H GLN A 14 8.079 -2.363 13.200 1.00 0.00 H ATOM 46 N ASP A 15 5.305 -0.737 13.313 1.00 51.91 N ATOM 47 CA ASP A 15 4.137 -0.006 13.779 1.00 47.76 C ATOM 48 C ASP A 15 4.427 1.429 14.184 1.00 41.48 C ATOM 49 O ASP A 15 3.512 2.233 14.333 1.00 39.71 O ATOM 50 CB ASP A 15 3.452 -0.750 14.931 1.00 55.33 C ATOM 51 CG ASP A 15 2.497 -1.837 14.444 1.00 61.63 C ATOM 52 OD1 ASP A 15 2.744 -2.406 13.354 1.00 65.21 O ATOM 53 OD2 ASP A 15 1.494 -2.116 15.150 1.00 64.54 O ATOM 54 HA ASP A 15 3.465 0.047 12.922 1.00 0.00 H ATOM 55 HB2 ASP A 15 4.219 -1.212 15.553 1.00 0.00 H ATOM 56 HB3 ASP A 15 2.888 -0.031 15.525 1.00 0.00 H ATOM 57 H ASP A 15 5.948 -1.175 14.003 1.00 0.00 H ATOM 58 N ASP A 16 5.696 1.767 14.348 1.00 35.75 N ATOM 59 CA ASP A 16 6.040 3.121 14.748 1.00 29.68 C ATOM 60 C ASP A 16 6.229 3.998 13.519 1.00 26.53 C ATOM 61 O ASP A 16 7.139 3.761 12.720 1.00 25.16 O ATOM 62 CB ASP A 16 7.310 3.113 15.585 1.00 32.97 C ATOM 63 CG ASP A 16 7.520 4.416 16.325 1.00 37.64 C ATOM 64 OD1 ASP A 16 7.726 5.459 15.672 1.00 39.75 O ATOM 65 OD2 ASP A 16 7.452 4.400 17.574 1.00 41.54 O ATOM 66 HA ASP A 16 5.226 3.527 15.348 1.00 0.00 H ATOM 67 HB2 ASP A 16 7.246 2.303 16.312 1.00 0.00 H ATOM 68 HB3 ASP A 16 8.162 2.942 14.927 1.00 0.00 H ATOM 69 H ASP A 16 6.446 1.064 14.191 1.00 0.00 H ATOM 70 N PRO A 17 5.422 5.068 13.385 1.00 22.46 N ATOM 71 CA PRO A 17 5.492 5.997 12.244 1.00 19.84 C ATOM 72 C PRO A 17 6.831 6.734 12.071 1.00 19.39 C ATOM 73 O PRO A 17 7.243 7.042 10.941 1.00 21.04 O ATOM 74 CB PRO A 17 4.323 6.940 12.508 1.00 19.77 C ATOM 75 CG PRO A 17 4.220 6.926 14.009 1.00 22.94 C ATOM 76 CD PRO A 17 4.388 5.487 14.346 1.00 20.91 C ATOM 77 HA PRO A 17 5.428 5.466 11.294 1.00 0.00 H ATOM 78 HD3 PRO A 17 4.726 5.357 15.374 1.00 0.00 H ATOM 79 HD2 PRO A 17 3.461 4.934 14.197 1.00 0.00 H ATOM 80 HG3 PRO A 17 3.248 7.294 14.338 1.00 0.00 H ATOM 81 HG2 PRO A 17 5.008 7.529 14.461 1.00 0.00 H ATOM 82 HB2 PRO A 17 4.535 7.943 12.137 1.00 0.00 H ATOM 83 HB3 PRO A 17 3.407 6.570 12.047 1.00 0.00 H ATOM 84 N ASP A 18 7.510 7.019 13.183 1.00 18.45 N ATOM 85 CA ASP A 18 8.808 7.678 13.142 1.00 14.00 C ATOM 86 C ASP A 18 9.823 6.708 12.552 1.00 15.66 C ATOM 87 O ASP A 18 10.556 7.067 11.645 1.00 16.10 O ATOM 88 CB ASP A 18 9.272 8.074 14.536 1.00 14.06 C ATOM 89 CG ASP A 18 8.330 9.031 15.216 1.00 14.71 C ATOM 90 OD1 ASP A 18 7.808 9.940 14.559 1.00 16.47 O ATOM 91 OD2 ASP A 18 8.131 8.888 16.427 1.00 19.45 O ATOM 92 HA ASP A 18 8.721 8.580 12.536 1.00 0.00 H ATOM 93 HB2 ASP A 18 9.353 7.174 15.145 1.00 0.00 H ATOM 94 HB3 ASP A 18 10.251 8.547 14.456 1.00 0.00 H ATOM 95 H ASP A 18 7.101 6.764 14.105 1.00 0.00 H ATOM 96 N LEU A 19 9.869 5.486 13.079 1.00 16.38 N ATOM 97 CA LEU A 19 10.798 4.470 12.585 1.00 16.16 C ATOM 98 C LEU A 19 10.497 4.066 11.143 1.00 18.81 C ATOM 99 O LEU A 19 11.418 3.780 10.387 1.00 21.10 O ATOM 100 CB LEU A 19 10.836 3.245 13.506 1.00 16.09 C ATOM 101 CG LEU A 19 11.460 3.477 14.895 1.00 18.31 C ATOM 102 CD1 LEU A 19 11.489 2.188 15.673 1.00 15.22 C ATOM 103 CD2 LEU A 19 12.878 4.049 14.784 1.00 16.44 C ATOM 104 HA LEU A 19 11.789 4.923 12.592 1.00 0.00 H ATOM 105 HB2 LEU A 19 9.812 2.902 13.651 1.00 0.00 H ATOM 106 HB3 LEU A 19 11.411 2.466 13.005 1.00 0.00 H ATOM 107 HG LEU A 19 10.841 4.204 15.420 1.00 0.00 H ATOM 108 HD21 LEU A 19 13.508 3.350 14.234 1.00 0.00 H ATOM 109 HD22 LEU A 19 12.844 5.002 14.256 1.00 0.00 H ATOM 110 HD23 LEU A 19 13.287 4.200 15.783 1.00 0.00 H ATOM 111 HD11 LEU A 19 10.472 1.816 15.795 1.00 0.00 H ATOM 112 HD12 LEU A 19 12.084 1.452 15.132 1.00 0.00 H ATOM 113 HD13 LEU A 19 11.932 2.366 16.653 1.00 0.00 H ATOM 114 H LEU A 19 9.228 5.248 13.862 1.00 0.00 H ATOM 115 N GLN A 20 9.224 4.050 10.757 1.00 19.46 N ATOM 116 CA GLN A 20 8.853 3.728 9.378 1.00 19.91 C ATOM 117 C GLN A 20 9.445 4.803 8.458 1.00 18.75 C ATOM 118 O GLN A 20 9.928 4.514 7.359 1.00 15.87 O ATOM 119 CB GLN A 20 7.325 3.718 9.189 1.00 24.36 C ATOM 120 CG GLN A 20 6.544 2.502 9.724 1.00 32.38 C ATOM 121 CD GLN A 20 5.001 2.693 9.637 1.00 40.65 C ATOM 122 OE1 GLN A 20 4.233 1.723 9.750 1.00 43.31 O ATOM 123 NE2 GLN A 20 4.551 3.944 9.452 1.00 38.25 N ATOM 124 HA GLN A 20 9.236 2.736 9.140 1.00 0.00 H ATOM 125 HB2 GLN A 20 6.930 4.604 9.687 1.00 0.00 H ATOM 126 HB3 GLN A 20 7.129 3.786 8.119 1.00 0.00 H ATOM 127 HG2 GLN A 20 6.821 1.625 9.139 1.00 0.00 H ATOM 128 HG3 GLN A 20 6.818 2.343 10.767 1.00 0.00 H ATOM 129 HE22 GLN A 20 5.225 4.731 9.362 1.00 0.00 H ATOM 130 HE21 GLN A 20 3.528 4.126 9.399 1.00 0.00 H ATOM 131 H GLN A 20 8.478 4.270 11.448 1.00 0.00 H ATOM 132 N ALA A 21 9.400 6.053 8.906 1.00 16.38 N ATOM 133 CA ALA A 21 9.937 7.137 8.113 1.00 16.47 C ATOM 134 C ALA A 21 11.461 7.036 7.987 1.00 17.28 C ATOM 135 O ALA A 21 12.014 7.226 6.900 1.00 16.53 O ATOM 136 CB ALA A 21 9.533 8.451 8.710 1.00 15.89 C ATOM 137 HA ALA A 21 9.525 7.065 7.106 1.00 0.00 H ATOM 138 HB1 ALA A 21 8.445 8.521 8.728 1.00 0.00 H ATOM 139 HB2 ALA A 21 9.920 8.521 9.727 1.00 0.00 H ATOM 140 HB3 ALA A 21 9.941 9.263 8.108 1.00 0.00 H ATOM 141 H ALA A 21 8.975 6.254 9.834 1.00 0.00 H ATOM 142 N LEU A 22 12.137 6.717 9.094 1.00 19.28 N ATOM 143 CA LEU A 22 13.605 6.569 9.111 1.00 18.14 C ATOM 144 C LEU A 22 14.093 5.412 8.223 1.00 18.48 C ATOM 145 O LEU A 22 15.145 5.533 7.574 1.00 16.29 O ATOM 146 CB LEU A 22 14.129 6.390 10.540 1.00 13.79 C ATOM 147 CG LEU A 22 13.735 7.457 11.583 1.00 15.00 C ATOM 148 CD1 LEU A 22 14.722 7.425 12.737 1.00 13.39 C ATOM 149 CD2 LEU A 22 13.700 8.844 10.990 1.00 12.43 C ATOM 150 HA LEU A 22 14.009 7.493 8.698 1.00 0.00 H ATOM 151 HB2 LEU A 22 13.766 5.429 10.903 1.00 0.00 H ATOM 152 HB3 LEU A 22 15.218 6.370 10.489 1.00 0.00 H ATOM 153 HG LEU A 22 12.731 7.222 11.935 1.00 0.00 H ATOM 154 HD21 LEU A 22 14.686 9.096 10.601 1.00 0.00 H ATOM 155 HD22 LEU A 22 12.970 8.873 10.181 1.00 0.00 H ATOM 156 HD23 LEU A 22 13.418 9.561 11.761 1.00 0.00 H ATOM 157 HD11 LEU A 22 14.705 6.439 13.201 1.00 0.00 H ATOM 158 HD12 LEU A 22 15.724 7.634 12.362 1.00 0.00 H ATOM 159 HD13 LEU A 22 14.443 8.179 13.473 1.00 0.00 H ATOM 160 H LEU A 22 11.609 6.567 9.977 1.00 0.00 H ATOM 161 N LEU A 23 13.328 4.314 8.183 1.00 17.16 N ATOM 162 CA LEU A 23 13.682 3.152 7.345 1.00 20.37 C ATOM 163 C LEU A 23 13.671 3.533 5.850 1.00 19.90 C ATOM 164 O LEU A 23 14.376 2.938 5.040 1.00 21.70 O ATOM 165 CB LEU A 23 12.769 1.933 7.628 1.00 16.80 C ATOM 166 CG LEU A 23 12.920 1.221 8.990 1.00 18.39 C ATOM 167 CD1 LEU A 23 11.907 0.110 9.090 1.00 18.14 C ATOM 168 CD2 LEU A 23 14.319 0.658 9.201 1.00 14.02 C ATOM 169 HA LEU A 23 14.696 2.852 7.610 1.00 0.00 H ATOM 170 HB2 LEU A 23 11.737 2.275 7.552 1.00 0.00 H ATOM 171 HB3 LEU A 23 12.963 1.194 6.851 1.00 0.00 H ATOM 172 HG LEU A 23 12.749 1.964 9.769 1.00 0.00 H ATOM 173 HD21 LEU A 23 14.540 -0.066 8.417 1.00 0.00 H ATOM 174 HD22 LEU A 23 15.045 1.470 9.163 1.00 0.00 H ATOM 175 HD23 LEU A 23 14.369 0.168 10.174 1.00 0.00 H ATOM 176 HD11 LEU A 23 10.903 0.527 9.006 1.00 0.00 H ATOM 177 HD12 LEU A 23 12.073 -0.605 8.285 1.00 0.00 H ATOM 178 HD13 LEU A 23 12.014 -0.392 10.052 1.00 0.00 H ATOM 179 H LEU A 23 12.462 4.279 8.757 1.00 0.00 H ATOM 180 N LYS A 24 12.868 4.528 5.503 1.00 18.65 N ATOM 181 CA LYS A 24 12.808 5.015 4.139 1.00 21.76 C ATOM 182 C LYS A 24 13.983 5.958 3.864 1.00 19.99 C ATOM 183 O LYS A 24 14.431 6.084 2.723 1.00 20.26 O ATOM 184 CB LYS A 24 11.493 5.751 3.895 1.00 22.14 C ATOM 185 CG LYS A 24 10.321 4.848 3.753 1.00 30.06 C ATOM 186 CD LYS A 24 9.078 5.660 3.509 1.00 36.92 C ATOM 187 CE LYS A 24 7.939 4.763 3.033 1.00 45.43 C ATOM 188 NZ LYS A 24 7.588 3.704 4.034 1.00 49.12 N ATOM 189 HA LYS A 24 12.867 4.161 3.465 1.00 0.00 H ATOM 190 HB2 LYS A 24 11.312 6.421 4.736 1.00 0.00 H ATOM 191 HB3 LYS A 24 11.590 6.336 2.980 1.00 0.00 H ATOM 192 HG2 LYS A 24 10.484 4.173 2.913 1.00 0.00 H ATOM 193 HG3 LYS A 24 10.200 4.266 4.666 1.00 0.00 H ATOM 194 HD2 LYS A 24 8.784 6.153 4.435 1.00 0.00 H ATOM 195 HD3 LYS A 24 9.284 6.413 2.748 1.00 0.00 H ATOM 196 HE2 LYS A 24 8.239 4.280 2.103 1.00 0.00 H ATOM 197 HE3 LYS A 24 7.059 5.380 2.853 1.00 0.00 H ATOM 198 HZ1 LYS A 24 8.419 3.103 4.207 1.00 0.00 H ATOM 199 HZ2 LYS A 24 7.292 4.154 4.924 1.00 0.00 H ATOM 200 HZ3 LYS A 24 6.810 3.122 3.663 1.00 0.00 H ATOM 201 H LYS A 24 12.266 4.970 6.227 1.00 0.00 H ATOM 202 N GLY A 25 14.454 6.640 4.905 1.00 20.68 N ATOM 203 CA GLY A 25 15.565 7.558 4.763 1.00 16.70 C ATOM 204 C GLY A 25 15.078 8.946 4.452 1.00 18.85 C ATOM 205 O GLY A 25 13.959 9.109 3.995 1.00 18.86 O ATOM 206 HA3 GLY A 25 16.210 7.216 3.953 1.00 0.00 H ATOM 207 HA2 GLY A 25 16.132 7.579 5.693 1.00 0.00 H ATOM 208 H GLY A 25 14.016 6.511 5.839 1.00 0.00 H ATOM 209 N SER A 26 15.918 9.946 4.699 1.00 17.87 N ATOM 210 CA SER A 26 15.589 11.353 4.450 1.00 18.73 C ATOM 211 C SER A 26 16.781 12.096 3.879 1.00 15.72 C ATOM 212 O SER A 26 17.920 11.745 4.137 1.00 16.25 O ATOM 213 CB SER A 26 15.239 12.094 5.766 1.00 12.47 C ATOM 214 OG SER A 26 14.261 11.424 6.523 1.00 22.59 O ATOM 215 HA SER A 26 14.745 11.344 3.760 1.00 0.00 H ATOM 216 HB2 SER A 26 14.868 13.089 5.518 1.00 0.00 H ATOM 217 HB3 SER A 26 16.144 12.184 6.367 1.00 0.00 H ATOM 218 HG SER A 26 14.076 11.937 7.349 1.00 0.00 H ATOM 219 H SER A 26 16.855 9.719 5.088 1.00 0.00 H ATOM 220 N GLN A 27 16.499 13.140 3.118 1.00 17.22 N ATOM 221 CA GLN A 27 17.531 14.027 2.606 1.00 18.42 C ATOM 222 C GLN A 27 17.581 15.131 3.675 1.00 19.77 C ATOM 223 O GLN A 27 16.595 15.838 3.896 1.00 23.78 O ATOM 224 CB GLN A 27 17.102 14.653 1.275 1.00 19.32 C ATOM 225 CG GLN A 27 17.035 13.681 0.103 1.00 22.88 C ATOM 226 CD GLN A 27 18.402 13.164 -0.315 1.00 25.60 C ATOM 227 OE1 GLN A 27 18.502 12.211 -1.102 1.00 32.33 O ATOM 228 NE2 GLN A 27 19.467 13.784 0.200 1.00 25.55 N ATOM 229 HA GLN A 27 18.478 13.516 2.429 1.00 0.00 H ATOM 230 HB2 GLN A 27 16.113 15.091 1.409 1.00 0.00 H ATOM 231 HB3 GLN A 27 17.815 15.438 1.024 1.00 0.00 H ATOM 232 HG2 GLN A 27 16.414 12.832 0.390 1.00 0.00 H ATOM 233 HG3 GLN A 27 16.581 14.191 -0.747 1.00 0.00 H ATOM 234 HE22 GLN A 27 19.338 14.580 0.857 1.00 0.00 H ATOM 235 HE21 GLN A 27 20.425 13.471 -0.056 1.00 0.00 H ATOM 236 H GLN A 27 15.506 13.333 2.878 1.00 0.00 H ATOM 237 N LEU A 28 18.690 15.248 4.380 1.00 17.43 N ATOM 238 CA LEU A 28 18.814 16.275 5.395 1.00 14.37 C ATOM 239 C LEU A 28 19.965 17.167 4.979 1.00 16.66 C ATOM 240 O LEU A 28 20.663 16.882 4.011 1.00 19.40 O ATOM 241 CB LEU A 28 19.114 15.641 6.771 1.00 14.48 C ATOM 242 CG LEU A 28 18.114 14.616 7.316 1.00 16.65 C ATOM 243 CD1 LEU A 28 18.600 14.035 8.634 1.00 15.13 C ATOM 244 CD2 LEU A 28 16.749 15.259 7.498 1.00 14.87 C ATOM 245 HA LEU A 28 17.887 16.841 5.485 1.00 0.00 H ATOM 246 HB2 LEU A 28 20.082 15.145 6.697 1.00 0.00 H ATOM 247 HB3 LEU A 28 19.177 16.452 7.497 1.00 0.00 H ATOM 248 HG LEU A 28 18.029 13.804 6.594 1.00 0.00 H ATOM 249 HD21 LEU A 28 16.830 16.088 8.201 1.00 0.00 H ATOM 250 HD22 LEU A 28 16.392 15.630 6.537 1.00 0.00 H ATOM 251 HD23 LEU A 28 16.049 14.519 7.886 1.00 0.00 H ATOM 252 HD11 LEU A 28 19.560 13.542 8.480 1.00 0.00 H ATOM 253 HD12 LEU A 28 18.714 14.837 9.363 1.00 0.00 H ATOM 254 HD13 LEU A 28 17.873 13.310 9.000 1.00 0.00 H ATOM 255 H LEU A 28 19.482 14.597 4.206 1.00 0.00 H ATOM 256 N LEU A 29 20.138 18.276 5.688 1.00 17.10 N ATOM 257 CA LEU A 29 21.226 19.196 5.417 1.00 15.39 C ATOM 258 C LEU A 29 22.180 19.109 6.595 1.00 15.73 C ATOM 259 O LEU A 29 21.753 19.244 7.751 1.00 16.28 O ATOM 260 CB LEU A 29 20.707 20.636 5.303 1.00 14.53 C ATOM 261 CG LEU A 29 19.887 20.961 4.071 1.00 19.37 C ATOM 262 CD1 LEU A 29 19.305 22.358 4.270 1.00 21.63 C ATOM 263 CD2 LEU A 29 20.749 20.865 2.778 1.00 16.52 C ATOM 264 HA LEU A 29 21.713 18.935 4.477 1.00 0.00 H ATOM 265 HB2 LEU A 29 20.087 20.835 6.177 1.00 0.00 H ATOM 266 HB3 LEU A 29 21.570 21.302 5.312 1.00 0.00 H ATOM 267 HG LEU A 29 19.081 20.239 3.943 1.00 0.00 H ATOM 268 HD21 LEU A 29 21.577 21.571 2.841 1.00 0.00 H ATOM 269 HD22 LEU A 29 21.141 19.853 2.678 1.00 0.00 H ATOM 270 HD23 LEU A 29 20.131 21.104 1.912 1.00 0.00 H ATOM 271 HD11 LEU A 29 18.678 22.365 5.161 1.00 0.00 H ATOM 272 HD12 LEU A 29 20.117 23.075 4.390 1.00 0.00 H ATOM 273 HD13 LEU A 29 18.706 22.628 3.400 1.00 0.00 H ATOM 274 H LEU A 29 19.475 18.491 6.460 1.00 0.00 H ATOM 275 N LYS A 30 23.451 18.852 6.321 1.00 15.18 N ATOM 276 CA LYS A 30 24.437 18.786 7.378 1.00 15.46 C ATOM 277 C LYS A 30 25.083 20.171 7.472 1.00 19.20 C ATOM 278 O LYS A 30 25.545 20.729 6.453 1.00 19.08 O ATOM 279 CB LYS A 30 25.501 17.717 7.089 1.00 17.35 C ATOM 280 CG LYS A 30 26.415 17.455 8.277 1.00 15.38 C ATOM 281 CD LYS A 30 27.780 16.923 7.876 1.00 19.49 C ATOM 282 CE LYS A 30 27.793 15.449 7.686 1.00 18.01 C ATOM 283 NZ LYS A 30 29.172 15.004 7.412 1.00 17.74 N ATOM 284 HA LYS A 30 23.962 18.507 8.318 1.00 0.00 H ATOM 285 HB2 LYS A 30 24.997 16.787 6.825 1.00 0.00 H ATOM 286 HB3 LYS A 30 26.110 18.050 6.248 1.00 0.00 H ATOM 287 HG2 LYS A 30 26.553 18.389 8.821 1.00 0.00 H ATOM 288 HG3 LYS A 30 25.936 16.724 8.929 1.00 0.00 H ATOM 289 HD2 LYS A 30 28.077 17.397 6.941 1.00 0.00 H ATOM 290 HD3 LYS A 30 28.497 17.180 8.656 1.00 0.00 H ATOM 291 HE2 LYS A 30 27.151 15.184 6.846 1.00 0.00 H ATOM 292 HE3 LYS A 30 27.426 14.962 8.589 1.00 0.00 H ATOM 293 HZ1 LYS A 30 29.520 15.470 6.550 1.00 0.00 H ATOM 294 HZ2 LYS A 30 29.783 15.257 8.215 1.00 0.00 H ATOM 295 HZ3 LYS A 30 29.182 13.973 7.279 1.00 0.00 H ATOM 296 H LYS A 30 23.743 18.696 5.335 1.00 0.00 H ATOM 297 N VAL A 31 25.104 20.705 8.697 1.00 19.42 N ATOM 298 CA VAL A 31 25.665 22.029 9.019 1.00 21.43 C ATOM 299 C VAL A 31 27.091 21.923 9.575 1.00 21.39 C ATOM 300 O VAL A 31 27.317 21.261 10.600 1.00 19.49 O ATOM 301 CB VAL A 31 24.783 22.770 10.094 1.00 19.62 C ATOM 302 CG1 VAL A 31 25.417 24.103 10.509 1.00 18.55 C ATOM 303 CG2 VAL A 31 23.385 23.017 9.548 1.00 19.05 C ATOM 304 HA VAL A 31 25.677 22.591 8.085 1.00 0.00 H ATOM 305 HB VAL A 31 24.721 22.129 10.974 1.00 0.00 H ATOM 306 HG11 VAL A 31 26.403 23.918 10.935 1.00 0.00 H ATOM 307 HG12 VAL A 31 25.513 24.746 9.634 1.00 0.00 H ATOM 308 HG13 VAL A 31 24.784 24.589 11.251 1.00 0.00 H ATOM 309 HG21 VAL A 31 23.450 23.635 8.652 1.00 0.00 H ATOM 310 HG22 VAL A 31 22.919 22.063 9.300 1.00 0.00 H ATOM 311 HG23 VAL A 31 22.787 23.530 10.302 1.00 0.00 H ATOM 312 H VAL A 31 24.697 20.148 9.476 1.00 0.00 H ATOM 313 N LYS A 32 28.041 22.561 8.892 1.00 21.21 N ATOM 314 CA LYS A 32 29.446 22.572 9.328 1.00 21.36 C ATOM 315 C LYS A 32 29.996 23.997 9.553 1.00 22.54 C ATOM 316 O LYS A 32 30.889 24.186 10.356 1.00 22.13 O ATOM 317 CB LYS A 32 30.341 21.804 8.353 1.00 18.81 C ATOM 318 CG LYS A 32 30.097 20.284 8.281 1.00 15.62 C ATOM 319 CD LYS A 32 30.324 19.585 9.608 1.00 17.21 C ATOM 320 CE LYS A 32 31.730 19.826 10.158 1.00 20.05 C ATOM 321 NZ LYS A 32 31.987 19.007 11.387 1.00 22.99 N ATOM 322 HA LYS A 32 29.463 22.065 10.293 1.00 0.00 H ATOM 323 HB2 LYS A 32 30.183 22.217 7.357 1.00 0.00 H ATOM 324 HB3 LYS A 32 31.377 21.964 8.651 1.00 0.00 H ATOM 325 HG2 LYS A 32 29.067 20.111 7.969 1.00 0.00 H ATOM 326 HG3 LYS A 32 30.776 19.857 7.542 1.00 0.00 H ATOM 327 HD2 LYS A 32 29.597 19.957 10.329 1.00 0.00 H ATOM 328 HD3 LYS A 32 30.181 18.513 9.469 1.00 0.00 H ATOM 329 HE2 LYS A 32 31.837 20.882 10.407 1.00 0.00 H ATOM 330 HE3 LYS A 32 32.460 19.558 9.394 1.00 0.00 H ATOM 331 HZ1 LYS A 32 31.297 19.262 12.122 1.00 0.00 H ATOM 332 HZ2 LYS A 32 31.892 17.998 11.156 1.00 0.00 H ATOM 333 HZ3 LYS A 32 32.950 19.196 11.733 1.00 0.00 H ATOM 334 H LYS A 32 27.781 23.068 8.022 1.00 0.00 H ATOM 335 N SER A 33 29.471 24.990 8.838 1.00 23.26 N ATOM 336 CA SER A 33 29.894 26.380 9.013 1.00 23.37 C ATOM 337 C SER A 33 28.762 27.245 8.470 1.00 27.08 C ATOM 338 O SER A 33 27.643 26.753 8.264 1.00 23.78 O ATOM 339 CB SER A 33 31.183 26.676 8.255 1.00 17.90 C ATOM 340 OG SER A 33 30.925 26.752 6.871 1.00 17.02 O ATOM 341 HA SER A 33 30.095 26.584 10.065 1.00 0.00 H ATOM 342 HB2 SER A 33 31.904 25.881 8.444 1.00 0.00 H ATOM 343 HB3 SER A 33 31.593 27.626 8.598 1.00 0.00 H ATOM 344 HG SER A 33 31.768 26.944 6.389 1.00 0.00 H ATOM 345 H SER A 33 28.738 24.771 8.134 1.00 0.00 H ATOM 346 N SER A 34 29.042 28.534 8.276 1.00 33.20 N ATOM 347 CA SER A 34 28.053 29.494 7.743 1.00 37.66 C ATOM 348 C SER A 34 27.738 29.181 6.286 1.00 35.27 C ATOM 349 O SER A 34 26.590 29.290 5.837 1.00 36.82 O ATOM 350 CB SER A 34 28.598 30.922 7.824 1.00 40.65 C ATOM 351 OG SER A 34 28.936 31.266 9.156 1.00 52.92 O ATOM 352 HA SER A 34 27.148 29.408 8.344 1.00 0.00 H ATOM 353 HB2 SER A 34 27.839 31.614 7.459 1.00 0.00 H ATOM 354 HB3 SER A 34 29.488 30.999 7.200 1.00 0.00 H ATOM 355 HG SER A 34 29.285 32.192 9.178 1.00 0.00 H ATOM 356 H SER A 34 29.995 28.878 8.509 1.00 0.00 H ATOM 357 N SER A 35 28.785 28.799 5.562 1.00 33.72 N ATOM 358 CA SER A 35 28.692 28.455 4.156 1.00 33.57 C ATOM 359 C SER A 35 28.410 26.973 3.933 1.00 30.36 C ATOM 360 O SER A 35 27.545 26.623 3.134 1.00 34.41 O ATOM 361 CB SER A 35 29.992 28.831 3.450 1.00 33.65 C ATOM 362 OG SER A 35 31.100 28.214 4.095 1.00 39.87 O ATOM 363 HA SER A 35 27.853 29.015 3.742 1.00 0.00 H ATOM 364 HB2 SER A 35 30.117 29.914 3.478 1.00 0.00 H ATOM 365 HB3 SER A 35 29.948 28.498 2.413 1.00 0.00 H ATOM 366 HG SER A 35 30.990 27.230 4.069 1.00 0.00 H ATOM 367 H SER A 35 29.715 28.744 6.025 1.00 0.00 H ATOM 368 N TRP A 36 29.146 26.107 4.619 1.00 26.21 N ATOM 369 CA TRP A 36 28.981 24.664 4.459 1.00 22.47 C ATOM 370 C TRP A 36 27.689 24.154 5.105 1.00 22.10 C ATOM 371 O TRP A 36 27.605 23.996 6.328 1.00 21.54 O ATOM 372 CB TRP A 36 30.196 23.931 5.057 1.00 21.19 C ATOM 373 CG TRP A 36 30.566 22.623 4.387 1.00 18.33 C ATOM 374 CD1 TRP A 36 31.613 22.419 3.535 1.00 19.27 C ATOM 375 CD2 TRP A 36 29.887 21.352 4.503 1.00 17.45 C ATOM 376 NE1 TRP A 36 31.626 21.111 3.110 1.00 21.77 N ATOM 377 CE2 TRP A 36 30.579 20.435 3.687 1.00 18.84 C ATOM 378 CE3 TRP A 36 28.762 20.905 5.211 1.00 16.68 C ATOM 379 CZ2 TRP A 36 30.181 19.092 3.556 1.00 16.54 C ATOM 380 CZ3 TRP A 36 28.374 19.575 5.079 1.00 16.50 C ATOM 381 CH2 TRP A 36 29.083 18.686 4.257 1.00 15.75 C ATOM 382 HA TRP A 36 28.913 24.457 3.391 1.00 0.00 H ATOM 383 HB2 TRP A 36 31.056 24.597 4.991 1.00 0.00 H ATOM 384 HB3 TRP A 36 29.980 23.722 6.105 1.00 0.00 H ATOM 385 HE1 TRP A 36 32.320 20.698 2.454 1.00 0.00 H ATOM 386 HD1 TRP A 36 32.333 23.181 3.236 1.00 0.00 H ATOM 387 HZ2 TRP A 36 30.730 18.400 2.917 1.00 0.00 H ATOM 388 HH2 TRP A 36 28.750 17.651 4.177 1.00 0.00 H ATOM 389 HZ3 TRP A 36 27.502 19.217 5.625 1.00 0.00 H ATOM 390 HE3 TRP A 36 28.202 21.586 5.852 1.00 0.00 H ATOM 391 H TRP A 36 29.858 26.465 5.287 1.00 0.00 H ATOM 392 N ARG A 37 26.687 23.908 4.270 1.00 21.03 N ATOM 393 CA ARG A 37 25.387 23.386 4.696 1.00 22.41 C ATOM 394 C ARG A 37 24.988 22.575 3.489 1.00 23.24 C ATOM 395 O ARG A 37 24.468 23.122 2.520 1.00 23.01 O ATOM 396 CB ARG A 37 24.388 24.517 4.895 1.00 24.82 C ATOM 397 CG ARG A 37 22.983 24.038 5.227 1.00 30.90 C ATOM 398 CD ARG A 37 22.049 25.215 5.438 1.00 35.35 C ATOM 399 NE ARG A 37 22.472 26.053 6.560 1.00 37.97 N ATOM 400 CZ ARG A 37 21.776 27.086 7.028 1.00 37.80 C ATOM 401 NH1 ARG A 37 20.621 27.422 6.467 1.00 40.04 N ATOM 402 NH2 ARG A 37 22.206 27.751 8.088 1.00 36.22 N ATOM 403 HA ARG A 37 25.419 22.836 5.637 1.00 0.00 H ATOM 404 HB2 ARG A 37 24.739 25.148 5.712 1.00 0.00 H ATOM 405 HB3 ARG A 37 24.344 25.104 3.978 1.00 0.00 H ATOM 406 HG2 ARG A 37 22.609 23.428 4.405 1.00 0.00 H ATOM 407 HG3 ARG A 37 23.015 23.439 6.137 1.00 0.00 H ATOM 408 HD2 ARG A 37 21.046 24.838 5.638 1.00 0.00 H ATOM 409 HD3 ARG A 37 22.034 25.820 4.532 1.00 0.00 H ATOM 410 HE ARG A 37 23.376 25.827 7.022 1.00 0.00 H ATOM 411 HH12 ARG A 37 20.080 28.230 6.835 1.00 0.00 H ATOM 412 HH11 ARG A 37 20.257 26.877 5.659 1.00 0.00 H ATOM 413 HH22 ARG A 37 21.660 28.558 8.452 1.00 0.00 H ATOM 414 HH21 ARG A 37 23.090 27.467 8.557 1.00 0.00 H ATOM 415 H ARG A 37 26.833 24.096 3.258 1.00 0.00 H ATOM 416 N ARG A 38 25.236 21.275 3.541 1.00 22.40 N ATOM 417 CA ARG A 38 24.988 20.442 2.385 1.00 18.70 C ATOM 418 C ARG A 38 24.072 19.284 2.607 1.00 19.11 C ATOM 419 O ARG A 38 23.999 18.733 3.701 1.00 17.34 O ATOM 420 CB ARG A 38 26.326 19.965 1.822 1.00 21.67 C ATOM 421 CG ARG A 38 27.202 21.132 1.411 1.00 22.89 C ATOM 422 CD ARG A 38 28.514 20.757 0.826 1.00 22.62 C ATOM 423 NE ARG A 38 29.322 21.957 0.665 1.00 26.42 N ATOM 424 CZ ARG A 38 30.492 21.997 0.042 1.00 30.11 C ATOM 425 NH1 ARG A 38 30.997 20.891 -0.492 1.00 34.56 N ATOM 426 NH2 ARG A 38 31.164 23.141 -0.031 1.00 29.31 N ATOM 427 HA ARG A 38 24.455 21.071 1.672 1.00 0.00 H ATOM 428 HB2 ARG A 38 26.845 19.383 2.584 1.00 0.00 H ATOM 429 HB3 ARG A 38 26.141 19.337 0.951 1.00 0.00 H ATOM 430 HG2 ARG A 38 26.658 21.720 0.672 1.00 0.00 H ATOM 431 HG3 ARG A 38 27.388 21.743 2.294 1.00 0.00 H ATOM 432 HD2 ARG A 38 28.360 20.287 -0.145 1.00 0.00 H ATOM 433 HD3 ARG A 38 29.024 20.059 1.490 1.00 0.00 H ATOM 434 HE ARG A 38 28.957 22.844 1.066 1.00 0.00 H ATOM 435 HH12 ARG A 38 31.914 20.922 -0.981 1.00 0.00 H ATOM 436 HH11 ARG A 38 30.475 19.994 -0.421 1.00 0.00 H ATOM 437 HH22 ARG A 38 32.082 23.175 -0.519 1.00 0.00 H ATOM 438 HH21 ARG A 38 30.772 24.003 0.400 1.00 0.00 H ATOM 439 H ARG A 38 25.610 20.852 4.415 1.00 0.00 H ATOM 440 N GLU A 39 23.392 18.902 1.534 1.00 17.79 N ATOM 441 CA GLU A 39 22.441 17.810 1.564 1.00 18.66 C ATOM 442 C GLU A 39 23.137 16.465 1.730 1.00 16.20 C ATOM 443 O GLU A 39 24.104 16.164 1.042 1.00 15.82 O ATOM 444 CB GLU A 39 21.643 17.831 0.281 1.00 21.36 C ATOM 445 CG GLU A 39 20.414 16.984 0.291 1.00 30.89 C ATOM 446 CD GLU A 39 19.780 16.952 -1.077 1.00 36.43 C ATOM 447 OE1 GLU A 39 20.481 16.564 -2.043 1.00 41.36 O ATOM 448 OE2 GLU A 39 18.598 17.337 -1.194 1.00 38.94 O ATOM 449 HA GLU A 39 21.781 17.940 2.422 1.00 0.00 H ATOM 450 HB2 GLU A 39 21.343 18.861 0.085 1.00 0.00 H ATOM 451 HB3 GLU A 39 22.288 17.482 -0.525 1.00 0.00 H ATOM 452 HG2 GLU A 39 20.680 15.969 0.586 1.00 0.00 H ATOM 453 HG3 GLU A 39 19.702 17.394 1.007 1.00 0.00 H ATOM 454 H GLU A 39 23.548 19.406 0.637 1.00 0.00 H ATOM 455 N ARG A 40 22.596 15.641 2.611 1.00 13.19 N ATOM 456 CA ARG A 40 23.153 14.339 2.890 1.00 11.52 C ATOM 457 C ARG A 40 21.963 13.445 3.183 1.00 11.36 C ATOM 458 O ARG A 40 21.030 13.853 3.865 1.00 12.94 O ATOM 459 CB ARG A 40 24.076 14.415 4.110 1.00 11.36 C ATOM 460 CG ARG A 40 25.415 15.139 3.896 1.00 10.51 C ATOM 461 CD ARG A 40 26.304 14.330 2.948 1.00 13.34 C ATOM 462 NE ARG A 40 27.675 14.838 2.794 1.00 15.34 N ATOM 463 CZ ARG A 40 28.052 15.764 1.914 1.00 16.90 C ATOM 464 NH1 ARG A 40 27.166 16.319 1.093 1.00 19.36 N ATOM 465 NH2 ARG A 40 29.323 16.134 1.844 1.00 18.66 N ATOM 466 HA ARG A 40 23.746 13.960 2.058 1.00 0.00 H ATOM 467 HB2 ARG A 40 23.539 14.934 4.904 1.00 0.00 H ATOM 468 HB3 ARG A 40 24.295 13.395 4.428 1.00 0.00 H ATOM 469 HG2 ARG A 40 25.229 16.123 3.465 1.00 0.00 H ATOM 470 HG3 ARG A 40 25.920 15.254 4.855 1.00 0.00 H ATOM 471 HD2 ARG A 40 25.833 14.325 1.965 1.00 0.00 H ATOM 472 HD3 ARG A 40 26.362 13.310 3.327 1.00 0.00 H ATOM 473 HE ARG A 40 28.406 14.444 3.420 1.00 0.00 H ATOM 474 HH12 ARG A 40 27.471 17.041 0.410 1.00 0.00 H ATOM 475 HH11 ARG A 40 26.167 16.031 1.134 1.00 0.00 H ATOM 476 HH22 ARG A 40 29.617 16.857 1.157 1.00 0.00 H ATOM 477 HH21 ARG A 40 30.026 15.701 2.476 1.00 0.00 H ATOM 478 H ARG A 40 21.740 15.941 3.120 1.00 0.00 H ATOM 479 N PHE A 41 21.960 12.256 2.596 1.00 11.79 N ATOM 480 CA PHE A 41 20.886 11.303 2.797 1.00 9.47 C ATOM 481 C PHE A 41 21.252 10.380 3.964 1.00 12.02 C ATOM 482 O PHE A 41 22.372 9.879 4.030 1.00 11.21 O ATOM 483 CB PHE A 41 20.685 10.498 1.517 1.00 11.60 C ATOM 484 CG PHE A 41 19.556 9.516 1.593 1.00 13.66 C ATOM 485 CD1 PHE A 41 18.246 9.928 1.386 1.00 11.97 C ATOM 486 CD2 PHE A 41 19.803 8.171 1.842 1.00 15.46 C ATOM 487 CE1 PHE A 41 17.193 9.024 1.422 1.00 12.44 C ATOM 488 CE2 PHE A 41 18.741 7.247 1.881 1.00 16.80 C ATOM 489 CZ PHE A 41 17.435 7.680 1.668 1.00 14.52 C ATOM 490 HA PHE A 41 19.957 11.821 3.034 1.00 0.00 H ATOM 491 HB2 PHE A 41 20.483 11.193 0.702 1.00 0.00 H ATOM 492 HB3 PHE A 41 21.604 9.951 1.307 1.00 0.00 H ATOM 493 HD2 PHE A 41 20.825 7.829 2.008 1.00 0.00 H ATOM 494 HE2 PHE A 41 18.941 6.194 2.078 1.00 0.00 H ATOM 495 HZ PHE A 41 16.609 6.969 1.694 1.00 0.00 H ATOM 496 HE1 PHE A 41 16.173 9.371 1.257 1.00 0.00 H ATOM 497 HD1 PHE A 41 18.041 10.981 1.192 1.00 0.00 H ATOM 498 H PHE A 41 22.752 11.999 1.973 1.00 0.00 H ATOM 499 N TYR A 42 20.292 10.144 4.855 1.00 12.19 N ATOM 500 CA TYR A 42 20.465 9.295 6.025 1.00 11.52 C ATOM 501 C TYR A 42 19.363 8.262 6.001 1.00 11.45 C ATOM 502 O TYR A 42 18.240 8.564 5.627 1.00 13.92 O ATOM 503 CB TYR A 42 20.353 10.120 7.314 1.00 12.69 C ATOM 504 CG TYR A 42 21.502 11.068 7.509 1.00 15.43 C ATOM 505 CD1 TYR A 42 22.697 10.647 8.116 1.00 17.32 C ATOM 506 CD2 TYR A 42 21.428 12.373 7.038 1.00 16.44 C ATOM 507 CE1 TYR A 42 23.785 11.502 8.235 1.00 11.46 C ATOM 508 CE2 TYR A 42 22.504 13.233 7.149 1.00 15.83 C ATOM 509 CZ TYR A 42 23.674 12.786 7.742 1.00 16.93 C ATOM 510 OH TYR A 42 24.731 13.636 7.784 1.00 18.11 O ATOM 511 HA TYR A 42 21.450 8.828 6.003 1.00 0.00 H ATOM 512 HB3 TYR A 42 20.319 9.436 8.162 1.00 0.00 H ATOM 513 HB2 TYR A 42 19.429 10.697 7.278 1.00 0.00 H ATOM 514 HD2 TYR A 42 20.507 12.724 6.574 1.00 0.00 H ATOM 515 HE2 TYR A 42 22.433 14.254 6.773 1.00 0.00 H ATOM 516 HE1 TYR A 42 24.708 11.166 8.708 1.00 0.00 H ATOM 517 HD1 TYR A 42 22.772 9.630 8.501 1.00 0.00 H ATOM 518 HH TYR A 42 25.494 13.191 8.231 1.00 0.00 H ATOM 519 H TYR A 42 19.365 10.592 4.707 1.00 0.00 H ATOM 520 N LYS A 43 19.657 7.050 6.439 1.00 11.98 N ATOM 521 CA LYS A 43 18.650 6.013 6.409 1.00 13.11 C ATOM 522 C LYS A 43 18.909 4.956 7.455 1.00 13.51 C ATOM 523 O LYS A 43 19.981 4.346 7.501 1.00 10.56 O ATOM 524 CB LYS A 43 18.638 5.381 5.023 1.00 13.10 C ATOM 525 CG LYS A 43 17.692 4.226 4.838 1.00 13.49 C ATOM 526 CD LYS A 43 17.679 3.875 3.349 1.00 18.13 C ATOM 527 CE LYS A 43 16.911 2.613 3.039 1.00 16.57 C ATOM 528 NZ LYS A 43 16.914 2.385 1.561 1.00 17.28 N ATOM 529 HA LYS A 43 17.681 6.461 6.630 1.00 0.00 H ATOM 530 HB2 LYS A 43 18.366 6.155 4.305 1.00 0.00 H ATOM 531 HB3 LYS A 43 19.646 5.026 4.808 1.00 0.00 H ATOM 532 HG2 LYS A 43 18.032 3.369 5.420 1.00 0.00 H ATOM 533 HG3 LYS A 43 16.691 4.509 5.163 1.00 0.00 H ATOM 534 HD2 LYS A 43 17.223 4.701 2.803 1.00 0.00 H ATOM 535 HD3 LYS A 43 18.708 3.745 3.015 1.00 0.00 H ATOM 536 HE2 LYS A 43 15.884 2.715 3.390 1.00 0.00 H ATOM 537 HE3 LYS A 43 17.382 1.767 3.539 1.00 0.00 H ATOM 538 HZ1 LYS A 43 16.464 3.193 1.086 1.00 0.00 H ATOM 539 HZ2 LYS A 43 17.895 2.288 1.228 1.00 0.00 H ATOM 540 HZ3 LYS A 43 16.385 1.516 1.344 1.00 0.00 H ATOM 541 H LYS A 43 20.609 6.843 6.804 1.00 0.00 H ATOM 542 N LEU A 44 17.916 4.744 8.306 1.00 14.79 N ATOM 543 CA LEU A 44 18.008 3.740 9.344 1.00 15.31 C ATOM 544 C LEU A 44 17.879 2.384 8.642 1.00 16.43 C ATOM 545 O LEU A 44 17.009 2.194 7.775 1.00 16.66 O ATOM 546 CB LEU A 44 16.876 3.924 10.349 1.00 13.90 C ATOM 547 CG LEU A 44 16.806 2.906 11.477 1.00 15.26 C ATOM 548 CD1 LEU A 44 18.044 3.023 12.341 1.00 16.59 C ATOM 549 CD2 LEU A 44 15.547 3.123 12.297 1.00 14.02 C ATOM 550 HA LEU A 44 18.949 3.814 9.890 1.00 0.00 H ATOM 551 HB2 LEU A 44 16.987 4.911 10.798 1.00 0.00 H ATOM 552 HB3 LEU A 44 15.935 3.879 9.802 1.00 0.00 H ATOM 553 HG LEU A 44 16.767 1.900 11.059 1.00 0.00 H ATOM 554 HD21 LEU A 44 15.559 4.127 12.720 1.00 0.00 H ATOM 555 HD22 LEU A 44 14.673 3.008 11.656 1.00 0.00 H ATOM 556 HD23 LEU A 44 15.508 2.389 13.101 1.00 0.00 H ATOM 557 HD11 LEU A 44 18.929 2.833 11.734 1.00 0.00 H ATOM 558 HD12 LEU A 44 18.099 4.028 12.761 1.00 0.00 H ATOM 559 HD13 LEU A 44 17.992 2.293 13.149 1.00 0.00 H ATOM 560 H LEU A 44 17.049 5.313 8.226 1.00 0.00 H ATOM 561 N GLN A 45 18.769 1.462 8.997 1.00 16.92 N ATOM 562 CA GLN A 45 18.788 0.124 8.413 1.00 16.89 C ATOM 563 C GLN A 45 17.754 -0.767 9.110 1.00 20.12 C ATOM 564 O GLN A 45 17.389 -0.511 10.269 1.00 17.17 O ATOM 565 CB GLN A 45 20.199 -0.452 8.522 1.00 14.75 C ATOM 566 CG GLN A 45 21.226 0.475 7.912 1.00 10.75 C ATOM 567 CD GLN A 45 21.043 0.610 6.416 1.00 17.00 C ATOM 568 OE1 GLN A 45 21.231 -0.356 5.678 1.00 15.76 O ATOM 569 NE2 GLN A 45 20.649 1.793 5.958 1.00 11.97 N ATOM 570 HA GLN A 45 18.519 0.172 7.358 1.00 0.00 H ATOM 571 HB2 GLN A 45 20.439 -0.604 9.574 1.00 0.00 H ATOM 572 HB3 GLN A 45 20.232 -1.409 8.001 1.00 0.00 H ATOM 573 HG2 GLN A 45 21.129 1.459 8.370 1.00 0.00 H ATOM 574 HG3 GLN A 45 22.222 0.079 8.112 1.00 0.00 H ATOM 575 HE22 GLN A 45 20.502 2.583 6.618 1.00 0.00 H ATOM 576 HE21 GLN A 45 20.488 1.929 4.940 1.00 0.00 H ATOM 577 H GLN A 45 19.479 1.703 9.718 1.00 0.00 H ATOM 578 N GLU A 46 17.296 -1.801 8.396 1.00 21.04 N ATOM 579 CA GLU A 46 16.283 -2.746 8.875 1.00 26.10 C ATOM 580 C GLU A 46 16.590 -3.386 10.236 1.00 26.00 C ATOM 581 O GLU A 46 15.669 -3.685 11.004 1.00 27.62 O ATOM 582 CB GLU A 46 16.029 -3.860 7.840 1.00 27.98 C ATOM 583 CG GLU A 46 15.705 -3.405 6.418 1.00 36.90 C ATOM 584 CD GLU A 46 14.411 -2.646 6.315 1.00 40.21 C ATOM 585 OE1 GLU A 46 13.523 -2.861 7.168 1.00 45.66 O ATOM 586 OE2 GLU A 46 14.273 -1.831 5.377 1.00 44.17 O ATOM 587 HA GLU A 46 15.389 -2.137 9.012 1.00 0.00 H ATOM 588 HB2 GLU A 46 16.924 -4.481 7.794 1.00 0.00 H ATOM 589 HB3 GLU A 46 15.191 -4.459 8.196 1.00 0.00 H ATOM 590 HG2 GLU A 46 16.512 -2.762 6.068 1.00 0.00 H ATOM 591 HG3 GLU A 46 15.641 -4.286 5.779 1.00 0.00 H ATOM 592 H GLU A 46 17.683 -1.943 7.441 1.00 0.00 H ATOM 593 N ASP A 47 17.866 -3.627 10.524 1.00 24.09 N ATOM 594 CA ASP A 47 18.253 -4.221 11.799 1.00 25.27 C ATOM 595 C ASP A 47 18.063 -3.262 12.992 1.00 26.97 C ATOM 596 O ASP A 47 18.310 -3.624 14.147 1.00 25.73 O ATOM 597 CB ASP A 47 19.704 -4.699 11.725 1.00 26.07 C ATOM 598 CG ASP A 47 20.697 -3.583 11.426 1.00 27.57 C ATOM 599 OD1 ASP A 47 20.345 -2.381 11.445 1.00 29.30 O ATOM 600 OD2 ASP A 47 21.872 -3.917 11.174 1.00 32.00 O ATOM 601 HA ASP A 47 17.590 -5.068 11.975 1.00 0.00 H ATOM 602 HB2 ASP A 47 19.968 -5.149 12.682 1.00 0.00 H ATOM 603 HB3 ASP A 47 19.781 -5.449 10.938 1.00 0.00 H ATOM 604 H ASP A 47 18.601 -3.388 9.828 1.00 0.00 H ATOM 605 N CYS A 48 17.646 -2.033 12.685 1.00 28.55 N ATOM 606 CA CYS A 48 17.437 -0.973 13.674 1.00 31.81 C ATOM 607 C CYS A 48 18.679 -0.767 14.522 1.00 30.52 C ATOM 608 O CYS A 48 18.595 -0.245 15.625 1.00 32.52 O ATOM 609 CB CYS A 48 16.228 -1.265 14.572 1.00 36.89 C ATOM 610 SG CYS A 48 14.664 -0.566 14.000 1.00 39.46 S ATOM 611 HA CYS A 48 17.233 -0.056 13.121 1.00 0.00 H ATOM 612 HB2 CYS A 48 16.437 -0.861 15.562 1.00 0.00 H ATOM 613 HB3 CYS A 48 16.110 -2.347 14.640 1.00 0.00 H ATOM 614 HG CYS A 48 13.662 -0.898 14.889 1.00 0.00 H ATOM 615 H CYS A 48 17.458 -1.815 11.686 1.00 0.00 H ATOM 616 N LYS A 49 19.830 -1.142 13.975 1.00 29.45 N ATOM 617 CA LYS A 49 21.102 -1.024 14.672 1.00 31.68 C ATOM 618 C LYS A 49 22.068 -0.044 14.031 1.00 29.09 C ATOM 619 O LYS A 49 22.931 0.506 14.718 1.00 26.68 O ATOM 620 CB LYS A 49 21.800 -2.383 14.760 1.00 37.40 C ATOM 621 CG LYS A 49 21.094 -3.406 15.628 1.00 44.67 C ATOM 622 CD LYS A 49 21.957 -4.655 15.769 1.00 53.18 C ATOM 623 CE LYS A 49 22.098 -5.435 14.454 1.00 54.68 C ATOM 624 NZ LYS A 49 20.852 -6.221 14.129 1.00 59.98 N ATOM 625 HA LYS A 49 20.846 -0.645 15.661 1.00 0.00 H ATOM 626 HB2 LYS A 49 21.879 -2.790 13.752 1.00 0.00 H ATOM 627 HB3 LYS A 49 22.799 -2.226 15.166 1.00 0.00 H ATOM 628 HG2 LYS A 49 20.912 -2.979 16.614 1.00 0.00 H ATOM 629 HG3 LYS A 49 20.143 -3.674 15.169 1.00 0.00 H ATOM 630 HD2 LYS A 49 22.950 -4.356 16.105 1.00 0.00 H ATOM 631 HD3 LYS A 49 21.504 -5.309 16.515 1.00 0.00 H ATOM 632 HE2 LYS A 49 22.937 -6.125 14.542 1.00 0.00 H ATOM 633 HE3 LYS A 49 22.291 -4.730 13.645 1.00 0.00 H ATOM 634 HZ1 LYS A 49 20.664 -6.901 14.893 1.00 0.00 H ATOM 635 HZ2 LYS A 49 20.047 -5.569 14.037 1.00 0.00 H ATOM 636 HZ3 LYS A 49 20.990 -6.732 13.234 1.00 0.00 H ATOM 637 H LYS A 49 19.822 -1.535 13.012 1.00 0.00 H ATOM 638 N THR A 50 21.972 0.140 12.716 1.00 25.81 N ATOM 639 CA THR A 50 22.889 1.052 12.032 1.00 22.69 C ATOM 640 C THR A 50 22.178 2.067 11.159 1.00 16.72 C ATOM 641 O THR A 50 21.018 1.896 10.813 1.00 15.17 O ATOM 642 CB THR A 50 23.971 0.281 11.168 1.00 25.18 C ATOM 643 OG1 THR A 50 23.376 -0.237 9.978 1.00 29.71 O ATOM 644 CG2 THR A 50 24.549 -0.892 11.953 1.00 27.84 C ATOM 645 HA THR A 50 23.395 1.591 12.833 1.00 0.00 H ATOM 646 HB THR A 50 24.762 0.989 10.920 1.00 0.00 H ATOM 647 HG1 THR A 50 24.062 -0.715 9.449 1.00 0.00 H ATOM 648 HG23 THR A 50 25.010 -0.523 12.869 1.00 0.00 H ATOM 649 HG21 THR A 50 23.749 -1.589 12.203 1.00 0.00 H ATOM 650 HG22 THR A 50 25.299 -1.400 11.346 1.00 0.00 H ATOM 651 H THR A 50 21.243 -0.366 12.173 1.00 0.00 H ATOM 652 N ILE A 51 22.888 3.138 10.841 1.00 14.47 N ATOM 653 CA ILE A 51 22.387 4.199 9.990 1.00 15.25 C ATOM 654 C ILE A 51 23.382 4.395 8.848 1.00 14.90 C ATOM 655 O ILE A 51 24.591 4.439 9.081 1.00 16.80 O ATOM 656 CB ILE A 51 22.275 5.531 10.775 1.00 13.00 C ATOM 657 CG1 ILE A 51 21.175 5.408 11.836 1.00 17.87 C ATOM 658 CG2 ILE A 51 21.999 6.706 9.833 1.00 11.30 C ATOM 659 CD1 ILE A 51 21.132 6.579 12.778 1.00 20.06 C ATOM 660 HA ILE A 51 21.399 3.926 9.620 1.00 0.00 H ATOM 661 HB ILE A 51 23.226 5.729 11.270 1.00 0.00 H ATOM 662 HG12 ILE A 51 20.212 5.333 11.331 1.00 0.00 H ATOM 663 HG13 ILE A 51 21.351 4.502 12.416 1.00 0.00 H ATOM 664 HD11 ILE A 51 22.086 6.660 13.298 1.00 0.00 H ATOM 665 HD12 ILE A 51 20.946 7.492 12.212 1.00 0.00 H ATOM 666 HD13 ILE A 51 20.333 6.431 13.504 1.00 0.00 H ATOM 667 HG21 ILE A 51 22.813 6.792 9.114 1.00 0.00 H ATOM 668 HG22 ILE A 51 21.062 6.533 9.304 1.00 0.00 H ATOM 669 HG23 ILE A 51 21.926 7.626 10.413 1.00 0.00 H ATOM 670 H ILE A 51 23.853 3.222 11.220 1.00 0.00 H ATOM 671 N TRP A 52 22.888 4.428 7.617 1.00 12.55 N ATOM 672 CA TRP A 52 23.745 4.679 6.462 1.00 12.63 C ATOM 673 C TRP A 52 23.745 6.183 6.253 1.00 11.58 C ATOM 674 O TRP A 52 22.701 6.821 6.355 1.00 13.29 O ATOM 675 CB TRP A 52 23.186 3.997 5.205 1.00 14.73 C ATOM 676 CG TRP A 52 24.083 4.146 3.992 1.00 15.78 C ATOM 677 CD1 TRP A 52 25.133 3.328 3.621 1.00 15.14 C ATOM 678 CD2 TRP A 52 24.032 5.192 3.024 1.00 14.23 C ATOM 679 NE1 TRP A 52 25.735 3.821 2.485 1.00 15.80 N ATOM 680 CE2 TRP A 52 25.080 4.964 2.102 1.00 17.10 C ATOM 681 CE3 TRP A 52 23.206 6.303 2.850 1.00 13.61 C ATOM 682 CZ2 TRP A 52 25.318 5.813 1.028 1.00 18.54 C ATOM 683 CZ3 TRP A 52 23.436 7.140 1.792 1.00 14.86 C ATOM 684 CH2 TRP A 52 24.487 6.896 0.888 1.00 20.04 C ATOM 685 HA TRP A 52 24.746 4.285 6.636 1.00 0.00 H ATOM 686 HB2 TRP A 52 23.061 2.935 5.414 1.00 0.00 H ATOM 687 HB3 TRP A 52 22.216 4.438 4.974 1.00 0.00 H ATOM 688 HE1 TRP A 52 26.551 3.397 1.998 1.00 0.00 H ATOM 689 HD1 TRP A 52 25.440 2.425 4.150 1.00 0.00 H ATOM 690 HZ2 TRP A 52 26.131 5.627 0.326 1.00 0.00 H ATOM 691 HH2 TRP A 52 24.645 7.584 0.057 1.00 0.00 H ATOM 692 HZ3 TRP A 52 22.795 8.010 1.647 1.00 0.00 H ATOM 693 HE3 TRP A 52 22.391 6.501 3.546 1.00 0.00 H ATOM 694 H TRP A 52 21.870 4.272 7.472 1.00 0.00 H ATOM 695 N GLN A 53 24.898 6.759 5.956 1.00 12.30 N ATOM 696 CA GLN A 53 24.988 8.195 5.718 1.00 12.53 C ATOM 697 C GLN A 53 25.787 8.457 4.459 1.00 13.58 C ATOM 698 O GLN A 53 26.824 7.826 4.190 1.00 14.98 O ATOM 699 CB GLN A 53 25.652 8.907 6.891 1.00 15.26 C ATOM 700 CG GLN A 53 26.978 8.281 7.253 1.00 24.73 C ATOM 701 CD GLN A 53 27.638 8.945 8.429 1.00 26.80 C ATOM 702 OE1 GLN A 53 27.141 9.943 8.959 1.00 26.84 O ATOM 703 NE2 GLN A 53 28.754 8.371 8.874 1.00 26.85 N ATOM 704 HA GLN A 53 23.975 8.582 5.604 1.00 0.00 H ATOM 705 HB2 GLN A 53 25.816 9.951 6.623 1.00 0.00 H ATOM 706 HB3 GLN A 53 24.990 8.855 7.755 1.00 0.00 H ATOM 707 HG2 GLN A 53 26.813 7.231 7.494 1.00 0.00 H ATOM 708 HG3 GLN A 53 27.644 8.355 6.393 1.00 0.00 H ATOM 709 HE22 GLN A 53 29.134 7.531 8.393 1.00 0.00 H ATOM 710 HE21 GLN A 53 29.246 8.763 9.702 1.00 0.00 H ATOM 711 H GLN A 53 25.757 6.177 5.891 1.00 0.00 H ATOM 712 N GLU A 54 25.271 9.358 3.648 1.00 13.66 N ATOM 713 CA GLU A 54 25.942 9.717 2.420 1.00 14.75 C ATOM 714 C GLU A 54 27.225 10.434 2.806 1.00 16.09 C ATOM 715 O GLU A 54 27.304 11.082 3.843 1.00 14.31 O ATOM 716 CB GLU A 54 25.068 10.651 1.604 1.00 14.19 C ATOM 717 CG GLU A 54 25.722 11.139 0.348 1.00 17.64 C ATOM 718 CD GLU A 54 24.887 12.172 -0.373 1.00 23.68 C ATOM 719 OE1 GLU A 54 23.725 12.395 0.024 1.00 23.04 O ATOM 720 OE2 GLU A 54 25.398 12.779 -1.337 1.00 24.47 O ATOM 721 HA GLU A 54 26.149 8.830 1.821 1.00 0.00 H ATOM 722 HB2 GLU A 54 24.155 10.121 1.334 1.00 0.00 H ATOM 723 HB3 GLU A 54 24.817 11.514 2.220 1.00 0.00 H ATOM 724 HG2 GLU A 54 26.684 11.583 0.604 1.00 0.00 H ATOM 725 HG3 GLU A 54 25.880 10.290 -0.317 1.00 0.00 H ATOM 726 H GLU A 54 24.370 9.816 3.895 1.00 0.00 H ATOM 727 N SER A 55 28.232 10.311 1.965 1.00 17.77 N ATOM 728 CA SER A 55 29.489 10.955 2.217 1.00 17.95 C ATOM 729 C SER A 55 30.086 11.372 0.877 1.00 20.11 C ATOM 730 O SER A 55 29.812 10.772 -0.164 1.00 19.32 O ATOM 731 CB SER A 55 30.415 9.981 2.940 1.00 20.88 C ATOM 732 OG SER A 55 31.705 10.538 3.125 1.00 23.37 O ATOM 733 HA SER A 55 29.357 11.836 2.845 1.00 0.00 H ATOM 734 HB2 SER A 55 30.503 9.069 2.349 1.00 0.00 H ATOM 735 HB3 SER A 55 29.988 9.742 3.914 1.00 0.00 H ATOM 736 HG SER A 55 32.281 9.884 3.595 1.00 0.00 H ATOM 737 H SER A 55 28.114 9.738 1.105 1.00 0.00 H ATOM 738 N ARG A 56 30.879 12.429 0.917 1.00 21.75 N ATOM 739 CA ARG A 56 31.563 12.944 -0.256 1.00 24.19 C ATOM 740 C ARG A 56 33.039 13.129 0.104 1.00 25.28 C ATOM 741 O ARG A 56 33.740 13.929 -0.519 1.00 25.72 O ATOM 742 CB ARG A 56 30.951 14.274 -0.695 1.00 24.67 C ATOM 743 CG ARG A 56 29.632 14.125 -1.369 1.00 28.33 C ATOM 744 CD ARG A 56 29.837 13.421 -2.695 1.00 38.01 C ATOM 745 NE ARG A 56 28.575 13.074 -3.342 1.00 42.55 N ATOM 746 CZ ARG A 56 27.902 11.944 -3.132 1.00 44.48 C ATOM 747 NH1 ARG A 56 28.361 11.029 -2.282 1.00 42.73 N ATOM 748 NH2 ARG A 56 26.768 11.726 -3.792 1.00 44.29 N ATOM 749 HA ARG A 56 31.461 12.245 -1.086 1.00 0.00 H ATOM 750 HB2 ARG A 56 30.820 14.902 0.186 1.00 0.00 H ATOM 751 HB3 ARG A 56 31.640 14.760 -1.386 1.00 0.00 H ATOM 752 HG2 ARG A 56 28.964 13.536 -0.741 1.00 0.00 H ATOM 753 HG3 ARG A 56 29.195 15.109 -1.540 1.00 0.00 H ATOM 754 HD2 ARG A 56 30.405 12.507 -2.522 1.00 0.00 H ATOM 755 HD3 ARG A 56 30.401 14.078 -3.357 1.00 0.00 H ATOM 756 HE ARG A 56 28.173 13.758 -4.015 1.00 0.00 H ATOM 757 HH12 ARG A 56 27.827 10.150 -2.126 1.00 0.00 H ATOM 758 HH11 ARG A 56 29.254 11.193 -1.774 1.00 0.00 H ATOM 759 HH22 ARG A 56 26.236 10.847 -3.635 1.00 0.00 H ATOM 760 HH21 ARG A 56 26.414 12.435 -4.465 1.00 0.00 H ATOM 761 H ARG A 56 31.019 12.912 1.827 1.00 0.00 H ATOM 762 N LYS A 57 33.491 12.413 1.137 1.00 25.16 N ATOM 763 CA LYS A 57 34.886 12.480 1.576 1.00 26.23 C ATOM 764 C LYS A 57 35.809 11.934 0.496 1.00 29.28 C ATOM 765 O LYS A 57 35.442 11.015 -0.250 1.00 27.54 O ATOM 766 CB LYS A 57 35.104 11.700 2.877 1.00 21.22 C ATOM 767 CG LYS A 57 34.687 12.462 4.103 1.00 22.06 C ATOM 768 CD LYS A 57 35.026 11.710 5.361 1.00 23.88 C ATOM 769 CE LYS A 57 34.638 12.503 6.593 1.00 23.55 C ATOM 770 NZ LYS A 57 33.172 12.462 6.855 1.00 24.00 N ATOM 771 HA LYS A 57 35.120 13.528 1.760 1.00 0.00 H ATOM 772 HB2 LYS A 57 34.525 10.778 2.829 1.00 0.00 H ATOM 773 HB3 LYS A 57 36.163 11.459 2.963 1.00 0.00 H ATOM 774 HG2 LYS A 57 35.201 13.423 4.115 1.00 0.00 H ATOM 775 HG3 LYS A 57 33.610 12.628 4.068 1.00 0.00 H ATOM 776 HD2 LYS A 57 34.489 10.761 5.364 1.00 0.00 H ATOM 777 HD3 LYS A 57 36.099 11.519 5.384 1.00 0.00 H ATOM 778 HE2 LYS A 57 34.940 13.541 6.451 1.00 0.00 H ATOM 779 HE3 LYS A 57 35.160 12.089 7.455 1.00 0.00 H ATOM 780 HZ1 LYS A 57 32.664 12.863 6.041 1.00 0.00 H ATOM 781 HZ2 LYS A 57 32.874 11.476 7.000 1.00 0.00 H ATOM 782 HZ3 LYS A 57 32.958 13.019 7.707 1.00 0.00 H ATOM 783 H LYS A 57 32.832 11.789 1.645 1.00 0.00 H ATOM 784 N VAL A 58 36.997 12.528 0.414 1.00 31.92 N ATOM 785 CA VAL A 58 38.026 12.142 -0.549 1.00 36.03 C ATOM 786 C VAL A 58 38.251 10.624 -0.548 1.00 38.62 C ATOM 787 O VAL A 58 38.146 9.969 -1.589 1.00 39.17 O ATOM 788 CB VAL A 58 39.374 12.859 -0.229 1.00 37.13 C ATOM 789 CG1 VAL A 58 40.492 12.362 -1.133 1.00 40.11 C ATOM 790 CG2 VAL A 58 39.223 14.347 -0.388 1.00 37.36 C ATOM 791 HA VAL A 58 37.676 12.445 -1.536 1.00 0.00 H ATOM 792 HB VAL A 58 39.636 12.627 0.803 1.00 0.00 H ATOM 793 HG11 VAL A 58 40.625 11.290 -0.988 1.00 0.00 H ATOM 794 HG12 VAL A 58 40.232 12.559 -2.173 1.00 0.00 H ATOM 795 HG13 VAL A 58 41.417 12.882 -0.884 1.00 0.00 H ATOM 796 HG21 VAL A 58 38.933 14.574 -1.414 1.00 0.00 H ATOM 797 HG22 VAL A 58 38.455 14.708 0.296 1.00 0.00 H ATOM 798 HG23 VAL A 58 40.172 14.833 -0.161 1.00 0.00 H ATOM 799 H VAL A 58 37.204 13.308 1.070 1.00 0.00 H ATOM 800 N MET A 59 38.483 10.067 0.636 1.00 40.25 N ATOM 801 CA MET A 59 38.745 8.639 0.785 1.00 42.80 C ATOM 802 C MET A 59 37.570 7.915 1.468 1.00 43.26 C ATOM 803 O MET A 59 37.756 7.280 2.503 1.00 48.40 O ATOM 804 CB MET A 59 40.028 8.482 1.620 1.00 44.97 C ATOM 805 CG MET A 59 40.807 7.175 1.461 1.00 46.30 C ATOM 806 SD MET A 59 41.601 6.986 -0.129 1.00 46.87 S ATOM 807 CE MET A 59 40.521 5.817 -0.815 1.00 44.61 C ATOM 808 HA MET A 59 38.866 8.187 -0.199 1.00 0.00 H ATOM 809 HB2 MET A 59 40.698 9.299 1.350 1.00 0.00 H ATOM 810 HB3 MET A 59 39.750 8.573 2.670 1.00 0.00 H ATOM 811 HG2 MET A 59 40.114 6.345 1.599 1.00 0.00 H ATOM 812 HG3 MET A 59 41.575 7.138 2.234 1.00 0.00 H ATOM 813 HE1 MET A 59 40.519 4.919 -0.197 1.00 0.00 H ATOM 814 HE2 MET A 59 39.515 6.234 -0.855 1.00 0.00 H ATOM 815 HE3 MET A 59 40.852 5.566 -1.823 1.00 0.00 H ATOM 816 H MET A 59 38.478 10.668 1.484 1.00 0.00 H ATOM 817 N ARG A 60 36.374 7.985 0.896 1.00 41.49 N ATOM 818 CA ARG A 60 35.216 7.334 1.516 1.00 40.92 C ATOM 819 C ARG A 60 35.161 5.841 1.214 1.00 40.48 C ATOM 820 O ARG A 60 35.817 5.347 0.292 1.00 39.80 O ATOM 821 CB ARG A 60 33.902 8.023 1.108 1.00 40.62 C ATOM 822 CG ARG A 60 33.388 7.627 -0.255 1.00 42.42 C ATOM 823 CD ARG A 60 32.359 8.600 -0.797 1.00 44.70 C ATOM 824 NE ARG A 60 32.971 9.762 -1.436 1.00 48.40 N ATOM 825 CZ ARG A 60 32.656 10.199 -2.655 1.00 50.26 C ATOM 826 NH1 ARG A 60 31.732 9.569 -3.379 1.00 50.65 N ATOM 827 NH2 ARG A 60 33.254 11.280 -3.143 1.00 50.06 N ATOM 828 HA ARG A 60 35.338 7.441 2.594 1.00 0.00 H ATOM 829 HB2 ARG A 60 33.141 7.771 1.846 1.00 0.00 H ATOM 830 HB3 ARG A 60 34.066 9.101 1.111 1.00 0.00 H ATOM 831 HG2 ARG A 60 34.229 7.587 -0.947 1.00 0.00 H ATOM 832 HG3 ARG A 60 32.931 6.640 -0.183 1.00 0.00 H ATOM 833 HD2 ARG A 60 31.733 8.943 0.027 1.00 0.00 H ATOM 834 HD3 ARG A 60 31.740 8.083 -1.530 1.00 0.00 H ATOM 835 HE ARG A 60 33.699 10.282 -0.906 1.00 0.00 H ATOM 836 HH12 ARG A 60 31.491 9.915 -4.330 1.00 0.00 H ATOM 837 HH11 ARG A 60 31.252 8.731 -2.994 1.00 0.00 H ATOM 838 HH22 ARG A 60 33.011 11.624 -4.094 1.00 0.00 H ATOM 839 HH21 ARG A 60 33.965 11.782 -2.574 1.00 0.00 H ATOM 840 H ARG A 60 36.258 8.505 0.003 1.00 0.00 H ATOM 841 N SER A 61 34.337 5.139 1.977 1.00 40.90 N ATOM 842 CA SER A 61 34.182 3.707 1.833 1.00 41.42 C ATOM 843 C SER A 61 32.850 3.274 2.417 1.00 43.44 C ATOM 844 O SER A 61 32.329 3.915 3.321 1.00 43.25 O ATOM 845 CB SER A 61 35.308 3.009 2.594 1.00 44.47 C ATOM 846 OG SER A 61 35.328 3.401 3.964 1.00 47.05 O ATOM 847 HA SER A 61 34.218 3.441 0.776 1.00 0.00 H ATOM 848 HB2 SER A 61 36.262 3.270 2.136 1.00 0.00 H ATOM 849 HB3 SER A 61 35.161 1.931 2.535 1.00 0.00 H ATOM 850 HG SER A 61 35.466 4.379 4.024 1.00 0.00 H ATOM 851 H SER A 61 33.782 5.634 2.705 1.00 0.00 H ATOM 852 N PRO A 62 32.294 2.158 1.931 1.00 47.04 N ATOM 853 CA PRO A 62 31.015 1.631 2.414 1.00 48.15 C ATOM 854 C PRO A 62 30.935 1.507 3.932 1.00 47.48 C ATOM 855 O PRO A 62 29.931 1.880 4.521 1.00 48.84 O ATOM 856 CB PRO A 62 30.934 0.279 1.724 1.00 49.81 C ATOM 857 CG PRO A 62 31.489 0.606 0.377 1.00 50.45 C ATOM 858 CD PRO A 62 32.739 1.409 0.744 1.00 49.26 C ATOM 859 HA PRO A 62 30.182 2.295 2.184 1.00 0.00 H ATOM 860 HD3 PRO A 62 33.575 0.751 0.982 1.00 0.00 H ATOM 861 HD2 PRO A 62 33.027 2.083 -0.063 1.00 0.00 H ATOM 862 HG3 PRO A 62 30.789 1.204 -0.207 1.00 0.00 H ATOM 863 HG2 PRO A 62 31.745 -0.297 -0.178 1.00 0.00 H ATOM 864 HB2 PRO A 62 31.541 -0.468 2.236 1.00 0.00 H ATOM 865 HB3 PRO A 62 29.905 -0.075 1.657 1.00 0.00 H ATOM 866 N GLU A 63 31.976 1.001 4.578 1.00 45.26 N ATOM 867 CA GLU A 63 31.914 0.910 6.025 1.00 43.77 C ATOM 868 C GLU A 63 32.000 2.283 6.664 1.00 39.51 C ATOM 869 O GLU A 63 31.464 2.486 7.744 1.00 39.42 O ATOM 870 CB GLU A 63 32.987 -0.014 6.600 1.00 48.86 C ATOM 871 CG GLU A 63 33.017 -0.065 8.152 1.00 57.76 C ATOM 872 CD GLU A 63 31.649 -0.364 8.820 1.00 60.99 C ATOM 873 OE1 GLU A 63 31.030 -1.412 8.511 1.00 60.90 O ATOM 874 OE2 GLU A 63 31.209 0.446 9.678 1.00 58.89 O ATOM 875 HA GLU A 63 30.946 0.471 6.266 1.00 0.00 H ATOM 876 HB2 GLU A 63 32.806 -1.022 6.228 1.00 0.00 H ATOM 877 HB3 GLU A 63 33.960 0.332 6.250 1.00 0.00 H ATOM 878 HG2 GLU A 63 33.719 -0.843 8.452 1.00 0.00 H ATOM 879 HG3 GLU A 63 33.369 0.900 8.516 1.00 0.00 H ATOM 880 H GLU A 63 32.818 0.677 4.060 1.00 0.00 H ATOM 881 N SER A 64 32.664 3.238 6.024 1.00 35.78 N ATOM 882 CA SER A 64 32.729 4.559 6.638 1.00 33.31 C ATOM 883 C SER A 64 31.345 5.216 6.602 1.00 30.80 C ATOM 884 O SER A 64 31.023 6.063 7.434 1.00 31.77 O ATOM 885 CB SER A 64 33.792 5.460 5.981 1.00 35.70 C ATOM 886 OG SER A 64 33.527 5.728 4.615 1.00 33.86 O ATOM 887 HA SER A 64 33.036 4.431 7.676 1.00 0.00 H ATOM 888 HB2 SER A 64 34.761 4.966 6.056 1.00 0.00 H ATOM 889 HB3 SER A 64 33.826 6.407 6.520 1.00 0.00 H ATOM 890 HG SER A 64 33.503 4.876 4.111 1.00 0.00 H ATOM 891 H SER A 64 33.125 3.049 5.111 1.00 0.00 H ATOM 892 N GLN A 65 30.494 4.759 5.692 1.00 27.44 N ATOM 893 CA GLN A 65 29.166 5.330 5.574 1.00 25.13 C ATOM 894 C GLN A 65 28.061 4.709 6.444 1.00 23.15 C ATOM 895 O GLN A 65 26.873 4.978 6.263 1.00 22.05 O ATOM 896 CB GLN A 65 28.780 5.421 4.103 1.00 27.45 C ATOM 897 CG GLN A 65 29.741 6.306 3.324 1.00 26.57 C ATOM 898 CD GLN A 65 29.326 6.495 1.897 1.00 26.11 C ATOM 899 OE1 GLN A 65 29.920 5.918 0.978 1.00 29.50 O ATOM 900 NE2 GLN A 65 28.305 7.302 1.689 1.00 21.02 N ATOM 901 HA GLN A 65 29.242 6.328 6.005 1.00 0.00 H ATOM 902 HB2 GLN A 65 28.792 4.420 3.672 1.00 0.00 H ATOM 903 HB3 GLN A 65 27.775 5.836 4.026 1.00 0.00 H ATOM 904 HG2 GLN A 65 29.785 7.282 3.807 1.00 0.00 H ATOM 905 HG3 GLN A 65 30.730 5.848 3.342 1.00 0.00 H ATOM 906 HE22 GLN A 65 27.836 7.766 2.493 1.00 0.00 H ATOM 907 HE21 GLN A 65 27.968 7.475 0.720 1.00 0.00 H ATOM 908 H GLN A 65 30.781 3.986 5.059 1.00 0.00 H ATOM 909 N LEU A 66 28.451 3.869 7.388 1.00 20.75 N ATOM 910 CA LEU A 66 27.497 3.288 8.312 1.00 21.74 C ATOM 911 C LEU A 66 28.001 3.694 9.689 1.00 22.67 C ATOM 912 O LEU A 66 29.209 3.875 9.894 1.00 24.82 O ATOM 913 CB LEU A 66 27.492 1.758 8.267 1.00 21.90 C ATOM 914 CG LEU A 66 26.850 0.927 7.165 1.00 24.95 C ATOM 915 CD1 LEU A 66 25.391 1.288 6.960 1.00 22.40 C ATOM 916 CD2 LEU A 66 27.631 1.121 5.916 1.00 30.72 C ATOM 917 HA LEU A 66 26.490 3.627 8.069 1.00 0.00 H ATOM 918 HB2 LEU A 66 28.541 1.461 8.284 1.00 0.00 H ATOM 919 HB3 LEU A 66 27.011 1.440 9.192 1.00 0.00 H ATOM 920 HG LEU A 66 26.867 -0.124 7.454 1.00 0.00 H ATOM 921 HD21 LEU A 66 27.620 2.176 5.643 1.00 0.00 H ATOM 922 HD22 LEU A 66 28.659 0.797 6.078 1.00 0.00 H ATOM 923 HD23 LEU A 66 27.185 0.532 5.115 1.00 0.00 H ATOM 924 HD11 LEU A 66 24.841 1.112 7.885 1.00 0.00 H ATOM 925 HD12 LEU A 66 25.314 2.340 6.684 1.00 0.00 H ATOM 926 HD13 LEU A 66 24.974 0.671 6.165 1.00 0.00 H ATOM 927 H LEU A 66 29.458 3.621 7.469 1.00 0.00 H ATOM 928 N PHE A 67 27.079 3.954 10.597 1.00 20.40 N ATOM 929 CA PHE A 67 27.465 4.243 11.963 1.00 20.42 C ATOM 930 C PHE A 67 26.421 3.574 12.847 1.00 21.29 C ATOM 931 O PHE A 67 25.280 3.377 12.428 1.00 21.24 O ATOM 932 CB PHE A 67 27.723 5.744 12.249 1.00 19.57 C ATOM 933 CG PHE A 67 26.502 6.625 12.270 1.00 19.64 C ATOM 934 CD1 PHE A 67 25.678 6.680 13.393 1.00 18.94 C ATOM 935 CD2 PHE A 67 26.223 7.466 11.202 1.00 19.86 C ATOM 936 CE1 PHE A 67 24.602 7.558 13.449 1.00 16.19 C ATOM 937 CE2 PHE A 67 25.142 8.355 11.250 1.00 18.22 C ATOM 938 CZ PHE A 67 24.335 8.394 12.380 1.00 14.63 C ATOM 939 HA PHE A 67 28.449 3.830 12.186 1.00 0.00 H ATOM 940 HB2 PHE A 67 28.208 5.821 13.222 1.00 0.00 H ATOM 941 HB3 PHE A 67 28.395 6.121 11.478 1.00 0.00 H ATOM 942 HD2 PHE A 67 26.854 7.434 10.314 1.00 0.00 H ATOM 943 HE2 PHE A 67 24.935 9.012 10.406 1.00 0.00 H ATOM 944 HZ PHE A 67 23.492 9.083 12.424 1.00 0.00 H ATOM 945 HE1 PHE A 67 23.968 7.588 14.336 1.00 0.00 H ATOM 946 HD1 PHE A 67 25.881 6.025 14.240 1.00 0.00 H ATOM 947 H PHE A 67 26.074 3.951 10.331 1.00 0.00 H ATOM 948 N SER A 68 26.854 3.080 13.997 1.00 20.19 N ATOM 949 CA SER A 68 25.963 2.388 14.897 1.00 19.75 C ATOM 950 C SER A 68 25.174 3.292 15.804 1.00 20.16 C ATOM 951 O SER A 68 25.675 4.308 16.296 1.00 20.54 O ATOM 952 CB SER A 68 26.747 1.396 15.757 1.00 23.13 C ATOM 953 OG SER A 68 25.923 0.833 16.775 1.00 25.20 O ATOM 954 HA SER A 68 25.246 1.876 14.255 1.00 0.00 H ATOM 955 HB2 SER A 68 27.585 1.914 16.223 1.00 0.00 H ATOM 956 HB3 SER A 68 27.125 0.595 15.122 1.00 0.00 H ATOM 957 HG SER A 68 26.456 0.196 17.315 1.00 0.00 H ATOM 958 H SER A 68 27.855 3.193 14.256 1.00 0.00 H ATOM 959 N ILE A 69 23.945 2.872 16.072 1.00 19.84 N ATOM 960 CA ILE A 69 23.069 3.582 16.977 1.00 21.94 C ATOM 961 C ILE A 69 23.716 3.463 18.366 1.00 24.63 C ATOM 962 O ILE A 69 23.504 4.312 19.228 1.00 20.63 O ATOM 963 CB ILE A 69 21.689 2.933 16.995 1.00 26.49 C ATOM 964 CG1 ILE A 69 20.954 3.253 15.693 1.00 28.90 C ATOM 965 CG2 ILE A 69 20.898 3.387 18.216 1.00 29.86 C ATOM 966 CD1 ILE A 69 20.601 4.701 15.546 1.00 31.02 C ATOM 967 HA ILE A 69 22.941 4.621 16.674 1.00 0.00 H ATOM 968 HB ILE A 69 21.799 1.851 17.067 1.00 0.00 H ATOM 969 HG12 ILE A 69 21.592 2.967 14.857 1.00 0.00 H ATOM 970 HG13 ILE A 69 20.034 2.669 15.663 1.00 0.00 H ATOM 971 HD11 ILE A 69 19.953 5.001 16.369 1.00 0.00 H ATOM 972 HD12 ILE A 69 21.512 5.299 15.562 1.00 0.00 H ATOM 973 HD13 ILE A 69 20.082 4.853 14.600 1.00 0.00 H ATOM 974 HG21 ILE A 69 21.434 3.102 19.121 1.00 0.00 H ATOM 975 HG22 ILE A 69 20.779 4.470 18.188 1.00 0.00 H ATOM 976 HG23 ILE A 69 19.917 2.912 18.209 1.00 0.00 H ATOM 977 H ILE A 69 23.600 2.003 15.616 1.00 0.00 H ATOM 978 N GLU A 70 24.512 2.403 18.557 1.00 25.09 N ATOM 979 CA GLU A 70 25.231 2.164 19.810 1.00 27.71 C ATOM 980 C GLU A 70 26.274 3.232 20.089 1.00 23.72 C ATOM 981 O GLU A 70 26.793 3.310 21.199 1.00 23.33 O ATOM 982 CB GLU A 70 25.942 0.804 19.809 1.00 32.92 C ATOM 983 CG GLU A 70 25.057 -0.356 20.196 1.00 44.15 C ATOM 984 CD GLU A 70 25.848 -1.585 20.628 1.00 51.56 C ATOM 985 OE1 GLU A 70 26.414 -1.572 21.751 1.00 56.77 O ATOM 986 OE2 GLU A 70 25.887 -2.572 19.858 1.00 55.21 O ATOM 987 HA GLU A 70 24.468 2.187 20.588 1.00 0.00 H ATOM 988 HB2 GLU A 70 26.328 0.620 18.806 1.00 0.00 H ATOM 989 HB3 GLU A 70 26.772 0.851 20.514 1.00 0.00 H ATOM 990 HG2 GLU A 70 24.417 -0.046 21.022 1.00 0.00 H ATOM 991 HG3 GLU A 70 24.438 -0.623 19.339 1.00 0.00 H ATOM 992 H GLU A 70 24.624 1.720 17.781 1.00 0.00 H ATOM 993 N ASP A 71 26.615 4.022 19.078 1.00 20.19 N ATOM 994 CA ASP A 71 27.609 5.067 19.253 1.00 18.18 C ATOM 995 C ASP A 71 26.966 6.412 19.561 1.00 16.67 C ATOM 996 O ASP A 71 27.645 7.431 19.602 1.00 15.68 O ATOM 997 CB ASP A 71 28.495 5.192 18.016 1.00 19.87 C ATOM 998 CG ASP A 71 29.707 6.065 18.264 1.00 23.93 C ATOM 999 OD1 ASP A 71 30.274 5.986 19.376 1.00 28.07 O ATOM 1000 OD2 ASP A 71 30.103 6.837 17.370 1.00 21.29 O ATOM 1001 HA ASP A 71 28.225 4.779 20.105 1.00 0.00 H ATOM 1002 HB2 ASP A 71 28.833 4.198 17.724 1.00 0.00 H ATOM 1003 HB3 ASP A 71 27.909 5.627 17.207 1.00 0.00 H ATOM 1004 H ASP A 71 26.165 3.891 18.149 1.00 0.00 H ATOM 1005 N ILE A 72 25.663 6.411 19.791 1.00 14.45 N ATOM 1006 CA ILE A 72 24.954 7.647 20.073 1.00 17.50 C ATOM 1007 C ILE A 72 24.646 7.851 21.549 1.00 16.97 C ATOM 1008 O ILE A 72 24.032 7.002 22.185 1.00 18.38 O ATOM 1009 CB ILE A 72 23.635 7.714 19.299 1.00 16.28 C ATOM 1010 CG1 ILE A 72 23.899 7.556 17.791 1.00 19.33 C ATOM 1011 CG2 ILE A 72 22.965 9.036 19.570 1.00 16.65 C ATOM 1012 CD1 ILE A 72 22.642 7.469 16.964 1.00 17.60 C ATOM 1013 HA ILE A 72 25.632 8.439 19.755 1.00 0.00 H ATOM 1014 HB ILE A 72 22.983 6.904 19.625 1.00 0.00 H ATOM 1015 HG12 ILE A 72 24.477 8.415 17.450 1.00 0.00 H ATOM 1016 HG13 ILE A 72 24.478 6.645 17.636 1.00 0.00 H ATOM 1017 HD11 ILE A 72 22.057 6.607 17.285 1.00 0.00 H ATOM 1018 HD12 ILE A 72 22.056 8.378 17.099 1.00 0.00 H ATOM 1019 HD13 ILE A 72 22.907 7.359 15.913 1.00 0.00 H ATOM 1020 HG21 ILE A 72 22.767 9.130 20.638 1.00 0.00 H ATOM 1021 HG22 ILE A 72 23.619 9.846 19.248 1.00 0.00 H ATOM 1022 HG23 ILE A 72 22.026 9.085 19.020 1.00 0.00 H ATOM 1023 H ILE A 72 25.139 5.513 19.770 1.00 0.00 H ATOM 1024 N GLN A 73 25.035 9.016 22.055 1.00 17.21 N ATOM 1025 CA GLN A 73 24.804 9.420 23.445 1.00 17.47 C ATOM 1026 C GLN A 73 23.433 10.048 23.619 1.00 18.02 C ATOM 1027 O GLN A 73 22.761 9.829 24.622 1.00 21.90 O ATOM 1028 CB GLN A 73 25.774 10.509 23.860 1.00 16.81 C ATOM 1029 CG GLN A 73 27.174 10.126 24.092 1.00 19.35 C ATOM 1030 CD GLN A 73 27.808 11.146 24.985 1.00 16.38 C ATOM 1031 OE1 GLN A 73 27.319 11.375 26.081 1.00 19.31 O ATOM 1032 NE2 GLN A 73 28.841 11.809 24.511 1.00 14.80 N ATOM 1033 HA GLN A 73 24.916 8.513 24.038 1.00 0.00 H ATOM 1034 HB2 GLN A 73 25.769 11.266 23.076 1.00 0.00 H ATOM 1035 HB3 GLN A 73 25.398 10.945 24.786 1.00 0.00 H ATOM 1036 HG2 GLN A 73 27.213 9.146 24.568 1.00 0.00 H ATOM 1037 HG3 GLN A 73 27.707 10.088 23.142 1.00 0.00 H ATOM 1038 HE22 GLN A 73 29.221 11.577 23.571 1.00 0.00 H ATOM 1039 HE21 GLN A 73 29.277 12.565 25.076 1.00 0.00 H ATOM 1040 H GLN A 73 25.533 9.680 21.428 1.00 0.00 H ATOM 1041 N GLU A 74 23.062 10.922 22.690 1.00 19.03 N ATOM 1042 CA GLU A 74 21.782 11.608 22.774 1.00 18.84 C ATOM 1043 C GLU A 74 21.494 12.284 21.448 1.00 17.60 C ATOM 1044 O GLU A 74 22.374 12.430 20.601 1.00 14.85 O ATOM 1045 CB GLU A 74 21.826 12.683 23.872 1.00 23.76 C ATOM 1046 CG GLU A 74 22.751 13.852 23.514 1.00 30.13 C ATOM 1047 CD GLU A 74 22.812 14.979 24.559 1.00 36.03 C ATOM 1048 OE1 GLU A 74 21.751 15.475 25.007 1.00 38.93 O ATOM 1049 OE2 GLU A 74 23.946 15.396 24.895 1.00 40.45 O ATOM 1050 HA GLU A 74 21.006 10.880 23.010 1.00 0.00 H ATOM 1051 HB2 GLU A 74 20.818 13.069 24.024 1.00 0.00 H ATOM 1052 HB3 GLU A 74 22.182 12.226 24.795 1.00 0.00 H ATOM 1053 HG2 GLU A 74 23.759 13.458 23.383 1.00 0.00 H ATOM 1054 HG3 GLU A 74 22.405 14.281 22.574 1.00 0.00 H ATOM 1055 H GLU A 74 23.697 11.119 21.890 1.00 0.00 H ATOM 1056 N VAL A 75 20.246 12.703 21.292 1.00 17.04 N ATOM 1057 CA VAL A 75 19.787 13.396 20.106 1.00 14.31 C ATOM 1058 C VAL A 75 19.081 14.607 20.688 1.00 15.64 C ATOM 1059 O VAL A 75 18.194 14.461 21.527 1.00 19.00 O ATOM 1060 CB VAL A 75 18.777 12.527 19.307 1.00 16.94 C ATOM 1061 CG1 VAL A 75 18.289 13.293 18.065 1.00 15.91 C ATOM 1062 CG2 VAL A 75 19.431 11.196 18.898 1.00 12.36 C ATOM 1063 HA VAL A 75 20.592 13.638 19.412 1.00 0.00 H ATOM 1064 HB VAL A 75 17.917 12.309 19.941 1.00 0.00 H ATOM 1065 HG11 VAL A 75 17.800 14.216 18.378 1.00 0.00 H ATOM 1066 HG12 VAL A 75 19.141 13.530 17.428 1.00 0.00 H ATOM 1067 HG13 VAL A 75 17.582 12.674 17.513 1.00 0.00 H ATOM 1068 HG21 VAL A 75 20.302 11.397 18.274 1.00 0.00 H ATOM 1069 HG22 VAL A 75 19.740 10.655 19.792 1.00 0.00 H ATOM 1070 HG23 VAL A 75 18.713 10.596 18.339 1.00 0.00 H ATOM 1071 H VAL A 75 19.564 12.526 22.057 1.00 0.00 H ATOM 1072 N ARG A 76 19.550 15.791 20.321 1.00 17.95 N ATOM 1073 CA ARG A 76 18.985 17.055 20.792 1.00 20.07 C ATOM 1074 C ARG A 76 18.092 17.703 19.732 1.00 19.87 C ATOM 1075 O ARG A 76 18.416 17.679 18.556 1.00 18.86 O ATOM 1076 CB ARG A 76 20.117 18.040 21.111 1.00 21.56 C ATOM 1077 CG ARG A 76 21.205 17.468 21.989 1.00 24.11 C ATOM 1078 CD ARG A 76 22.241 18.506 22.331 1.00 26.19 C ATOM 1079 NE ARG A 76 23.303 17.903 23.126 1.00 31.76 N ATOM 1080 CZ ARG A 76 24.441 18.510 23.437 1.00 35.93 C ATOM 1081 NH1 ARG A 76 24.667 19.747 23.022 1.00 37.82 N ATOM 1082 NH2 ARG A 76 25.371 17.870 24.142 1.00 39.01 N ATOM 1083 HA ARG A 76 18.391 16.834 21.679 1.00 0.00 H ATOM 1084 HB2 ARG A 76 20.568 18.359 20.171 1.00 0.00 H ATOM 1085 HB3 ARG A 76 19.687 18.904 21.618 1.00 0.00 H ATOM 1086 HG2 ARG A 76 20.758 17.096 22.911 1.00 0.00 H ATOM 1087 HG3 ARG A 76 21.688 16.644 21.463 1.00 0.00 H ATOM 1088 HD2 ARG A 76 21.774 19.309 22.901 1.00 0.00 H ATOM 1089 HD3 ARG A 76 22.663 18.912 21.412 1.00 0.00 H ATOM 1090 HE ARG A 76 23.159 16.933 23.472 1.00 0.00 H ATOM 1091 HH12 ARG A 76 25.559 20.223 23.266 1.00 0.00 H ATOM 1092 HH11 ARG A 76 23.952 20.243 22.452 1.00 0.00 H ATOM 1093 HH22 ARG A 76 26.262 18.349 24.384 1.00 0.00 H ATOM 1094 HH21 ARG A 76 25.207 16.891 24.451 1.00 0.00 H ATOM 1095 H ARG A 76 20.358 15.823 19.667 1.00 0.00 H ATOM 1096 N MET A 77 17.003 18.324 20.169 1.00 20.76 N ATOM 1097 CA MET A 77 16.080 19.017 19.282 1.00 20.15 C ATOM 1098 C MET A 77 16.338 20.512 19.468 1.00 20.67 C ATOM 1099 O MET A 77 16.570 20.973 20.583 1.00 22.49 O ATOM 1100 CB MET A 77 14.642 18.677 19.677 1.00 23.85 C ATOM 1101 CG MET A 77 13.530 19.396 18.877 1.00 30.03 C ATOM 1102 SD MET A 77 13.006 18.694 17.278 1.00 26.44 S ATOM 1103 CE MET A 77 13.758 19.731 16.249 1.00 17.96 C ATOM 1104 HA MET A 77 16.224 18.723 18.242 1.00 0.00 H ATOM 1105 HB2 MET A 77 14.505 17.603 19.547 1.00 0.00 H ATOM 1106 HB3 MET A 77 14.515 18.934 20.729 1.00 0.00 H ATOM 1107 HG2 MET A 77 13.879 20.410 18.683 1.00 0.00 H ATOM 1108 HG3 MET A 77 12.648 19.433 19.516 1.00 0.00 H ATOM 1109 HE1 MET A 77 13.397 20.744 16.428 1.00 0.00 H ATOM 1110 HE2 MET A 77 14.834 19.692 16.418 1.00 0.00 H ATOM 1111 HE3 MET A 77 13.540 19.442 15.221 1.00 0.00 H ATOM 1112 H MET A 77 16.801 18.315 21.189 1.00 0.00 H ATOM 1113 N GLY A 78 16.332 21.259 18.377 1.00 17.86 N ATOM 1114 CA GLY A 78 16.553 22.682 18.457 1.00 16.48 C ATOM 1115 C GLY A 78 18.007 23.056 18.368 1.00 18.46 C ATOM 1116 O GLY A 78 18.872 22.212 18.119 1.00 18.67 O ATOM 1117 HA3 GLY A 78 16.159 23.042 19.407 1.00 0.00 H ATOM 1118 HA2 GLY A 78 16.019 23.163 17.638 1.00 0.00 H ATOM 1119 H GLY A 78 16.166 20.816 17.451 1.00 0.00 H ATOM 1120 N HIS A 79 18.284 24.337 18.577 1.00 20.81 N ATOM 1121 CA HIS A 79 19.647 24.857 18.509 1.00 21.84 C ATOM 1122 C HIS A 79 20.350 24.567 19.839 1.00 23.64 C ATOM 1123 O HIS A 79 20.552 25.462 20.649 1.00 25.16 O ATOM 1124 CB HIS A 79 19.626 26.367 18.235 1.00 23.26 C ATOM 1125 CG HIS A 79 18.929 26.755 16.960 1.00 24.61 C ATOM 1126 ND1 HIS A 79 17.558 26.706 16.816 1.00 23.40 N ATOM 1127 CD2 HIS A 79 19.409 27.266 15.800 1.00 24.90 C ATOM 1128 CE1 HIS A 79 17.225 27.178 15.628 1.00 24.17 C ATOM 1129 NE2 HIS A 79 18.327 27.526 14.990 1.00 21.11 N ATOM 1130 HA HIS A 79 20.187 24.372 17.695 1.00 0.00 H ATOM 1131 HB2 HIS A 79 19.118 26.858 19.065 1.00 0.00 H ATOM 1132 HB3 HIS A 79 20.656 26.719 18.182 1.00 0.00 H ATOM 1133 HD2 HIS A 79 20.457 27.439 15.554 1.00 0.00 H ATOM 1134 HE1 HIS A 79 16.210 27.265 15.240 1.00 0.00 H ATOM 1135 H HIS A 79 17.506 24.991 18.796 1.00 0.00 H ATOM 1136 N ARG A 80 20.742 23.316 20.049 1.00 23.61 N ATOM 1137 CA ARG A 80 21.366 22.931 21.299 1.00 24.21 C ATOM 1138 C ARG A 80 22.834 22.617 21.208 1.00 24.44 C ATOM 1139 O ARG A 80 23.376 21.970 22.103 1.00 25.57 O ATOM 1140 CB ARG A 80 20.641 21.738 21.921 1.00 29.82 C ATOM 1141 CG ARG A 80 19.160 21.943 22.134 1.00 33.86 C ATOM 1142 CD ARG A 80 18.903 22.971 23.200 1.00 38.67 C ATOM 1143 NE ARG A 80 17.485 23.301 23.260 1.00 47.19 N ATOM 1144 CZ ARG A 80 16.933 24.356 22.666 1.00 47.98 C ATOM 1145 NH1 ARG A 80 17.675 25.203 21.958 1.00 46.61 N ATOM 1146 NH2 ARG A 80 15.627 24.561 22.782 1.00 51.33 N ATOM 1147 HA ARG A 80 21.279 23.816 21.930 1.00 0.00 H ATOM 1148 HB2 ARG A 80 20.774 20.879 21.264 1.00 0.00 H ATOM 1149 HB3 ARG A 80 21.098 21.529 22.888 1.00 0.00 H ATOM 1150 HG2 ARG A 80 18.709 22.278 21.200 1.00 0.00 H ATOM 1151 HG3 ARG A 80 18.709 20.997 22.435 1.00 0.00 H ATOM 1152 HD2 ARG A 80 19.472 23.873 22.974 1.00 0.00 H ATOM 1153 HD3 ARG A 80 19.220 22.575 24.165 1.00 0.00 H ATOM 1154 HE ARG A 80 16.863 22.670 23.804 1.00 0.00 H ATOM 1155 HH12 ARG A 80 17.232 26.024 21.498 1.00 0.00 H ATOM 1156 HH11 ARG A 80 18.699 25.044 21.864 1.00 0.00 H ATOM 1157 HH22 ARG A 80 15.187 25.383 22.321 1.00 0.00 H ATOM 1158 HH21 ARG A 80 15.044 23.900 23.334 1.00 0.00 H ATOM 1159 H ARG A 80 20.599 22.602 19.306 1.00 0.00 H ATOM 1160 N THR A 81 23.480 23.048 20.133 1.00 23.54 N ATOM 1161 CA THR A 81 24.908 22.837 19.977 1.00 22.16 C ATOM 1162 C THR A 81 25.516 24.155 19.468 1.00 24.21 C ATOM 1163 O THR A 81 24.802 25.024 18.947 1.00 21.43 O ATOM 1164 CB THR A 81 25.196 21.706 18.988 1.00 20.82 C ATOM 1165 OG1 THR A 81 24.424 21.927 17.807 1.00 27.03 O ATOM 1166 CG2 THR A 81 24.860 20.351 19.574 1.00 18.04 C ATOM 1167 HA THR A 81 25.347 22.548 20.932 1.00 0.00 H ATOM 1168 HB THR A 81 26.261 21.707 18.757 1.00 0.00 H ATOM 1169 HG1 THR A 81 24.601 21.201 17.158 1.00 0.00 H ATOM 1170 HG23 THR A 81 25.452 20.189 20.475 1.00 0.00 H ATOM 1171 HG21 THR A 81 23.800 20.318 19.824 1.00 0.00 H ATOM 1172 HG22 THR A 81 25.087 19.574 18.844 1.00 0.00 H ATOM 1173 H THR A 81 22.954 23.547 19.387 1.00 0.00 H ATOM 1174 N GLU A 82 26.826 24.315 19.638 1.00 26.10 N ATOM 1175 CA GLU A 82 27.506 25.515 19.183 1.00 29.49 C ATOM 1176 C GLU A 82 27.355 25.686 17.691 1.00 27.21 C ATOM 1177 O GLU A 82 27.022 26.772 17.214 1.00 26.90 O ATOM 1178 CB GLU A 82 28.990 25.481 19.546 1.00 35.83 C ATOM 1179 CG GLU A 82 29.330 26.369 20.729 1.00 49.67 C ATOM 1180 CD GLU A 82 28.587 27.708 20.686 1.00 57.24 C ATOM 1181 OE1 GLU A 82 28.875 28.522 19.779 1.00 59.05 O ATOM 1182 OE2 GLU A 82 27.707 27.942 21.552 1.00 60.49 O ATOM 1183 HA GLU A 82 27.042 26.362 19.687 1.00 0.00 H ATOM 1184 HB2 GLU A 82 29.265 24.455 19.791 1.00 0.00 H ATOM 1185 HB3 GLU A 82 29.567 25.815 18.683 1.00 0.00 H ATOM 1186 HG2 GLU A 82 29.060 25.848 21.647 1.00 0.00 H ATOM 1187 HG3 GLU A 82 30.403 26.563 20.725 1.00 0.00 H ATOM 1188 H GLU A 82 27.374 23.565 20.106 1.00 0.00 H ATOM 1189 N GLY A 83 27.550 24.598 16.957 1.00 24.08 N ATOM 1190 CA GLY A 83 27.428 24.662 15.518 1.00 23.87 C ATOM 1191 C GLY A 83 26.039 25.089 15.074 1.00 24.66 C ATOM 1192 O GLY A 83 25.882 25.852 14.114 1.00 26.08 O ATOM 1193 HA3 GLY A 83 27.641 23.676 15.104 1.00 0.00 H ATOM 1194 HA2 GLY A 83 28.154 25.380 15.136 1.00 0.00 H ATOM 1195 H GLY A 83 27.791 23.697 17.418 1.00 0.00 H ATOM 1196 N LEU A 84 25.020 24.622 15.781 1.00 23.01 N ATOM 1197 CA LEU A 84 23.658 24.962 15.422 1.00 23.84 C ATOM 1198 C LEU A 84 23.299 26.364 15.927 1.00 27.38 C ATOM 1199 O LEU A 84 22.570 27.113 15.261 1.00 25.97 O ATOM 1200 CB LEU A 84 22.713 23.896 15.961 1.00 21.23 C ATOM 1201 CG LEU A 84 21.751 23.205 14.998 1.00 21.11 C ATOM 1202 CD1 LEU A 84 22.320 22.957 13.610 1.00 18.70 C ATOM 1203 CD2 LEU A 84 21.302 21.936 15.642 1.00 20.49 C ATOM 1204 HA LEU A 84 23.559 24.985 14.337 1.00 0.00 H ATOM 1205 HB2 LEU A 84 23.331 23.118 16.409 1.00 0.00 H ATOM 1206 HB3 LEU A 84 22.107 24.367 16.735 1.00 0.00 H ATOM 1207 HG LEU A 84 20.910 23.875 14.819 1.00 0.00 H ATOM 1208 HD21 LEU A 84 22.167 21.302 15.835 1.00 0.00 H ATOM 1209 HD22 LEU A 84 20.800 22.165 16.582 1.00 0.00 H ATOM 1210 HD23 LEU A 84 20.611 21.417 14.977 1.00 0.00 H ATOM 1211 HD11 LEU A 84 22.595 23.909 13.156 1.00 0.00 H ATOM 1212 HD12 LEU A 84 23.202 22.322 13.689 1.00 0.00 H ATOM 1213 HD13 LEU A 84 21.569 22.463 12.994 1.00 0.00 H ATOM 1214 H LEU A 84 25.199 24.007 16.600 1.00 0.00 H ATOM 1215 N GLU A 85 23.878 26.738 17.066 1.00 28.74 N ATOM 1216 CA GLU A 85 23.635 28.049 17.662 1.00 30.74 C ATOM 1217 C GLU A 85 24.274 29.162 16.841 1.00 29.74 C ATOM 1218 O GLU A 85 23.726 30.251 16.742 1.00 31.32 O ATOM 1219 CB GLU A 85 24.127 28.070 19.112 1.00 29.17 C ATOM 1220 CG GLU A 85 23.268 27.194 20.024 1.00 37.89 C ATOM 1221 CD GLU A 85 23.947 26.767 21.332 1.00 43.87 C ATOM 1222 OE1 GLU A 85 25.180 26.927 21.469 1.00 46.60 O ATOM 1223 OE2 GLU A 85 23.237 26.242 22.224 1.00 44.15 O ATOM 1224 HA GLU A 85 22.560 28.231 17.662 1.00 0.00 H ATOM 1225 HB2 GLU A 85 25.154 27.706 19.140 1.00 0.00 H ATOM 1226 HB3 GLU A 85 24.096 29.096 19.479 1.00 0.00 H ATOM 1227 HG2 GLU A 85 22.365 27.750 20.276 1.00 0.00 H ATOM 1228 HG3 GLU A 85 22.997 26.294 19.473 1.00 0.00 H ATOM 1229 H GLU A 85 24.522 26.077 17.545 1.00 0.00 H ATOM 1230 N LYS A 86 25.406 28.863 16.216 1.00 29.46 N ATOM 1231 CA LYS A 86 26.119 29.827 15.393 1.00 30.37 C ATOM 1232 C LYS A 86 25.750 29.782 13.922 1.00 31.10 C ATOM 1233 O LYS A 86 25.591 30.824 13.299 1.00 33.18 O ATOM 1234 CB LYS A 86 27.618 29.571 15.442 1.00 34.66 C ATOM 1235 CG LYS A 86 28.274 29.750 16.771 1.00 43.07 C ATOM 1236 CD LYS A 86 29.797 29.728 16.602 1.00 51.67 C ATOM 1237 CE LYS A 86 30.359 28.341 16.217 1.00 57.11 C ATOM 1238 NZ LYS A 86 30.358 27.338 17.342 1.00 59.96 N ATOM 1239 HA LYS A 86 25.836 30.794 15.810 1.00 0.00 H ATOM 1240 HB2 LYS A 86 27.791 28.544 15.121 1.00 0.00 H ATOM 1241 HB3 LYS A 86 28.096 30.255 14.740 1.00 0.00 H ATOM 1242 HG2 LYS A 86 27.970 30.705 17.200 1.00 0.00 H ATOM 1243 HG3 LYS A 86 27.971 28.942 17.437 1.00 0.00 H ATOM 1244 HD2 LYS A 86 30.067 30.438 15.820 1.00 0.00 H ATOM 1245 HD3 LYS A 86 30.253 30.035 17.543 1.00 0.00 H ATOM 1246 HE2 LYS A 86 31.386 28.471 15.876 1.00 0.00 H ATOM 1247 HE3 LYS A 86 29.755 27.942 15.402 1.00 0.00 H ATOM 1248 HZ1 LYS A 86 30.941 27.697 18.125 1.00 0.00 H ATOM 1249 HZ2 LYS A 86 29.383 27.191 17.673 1.00 0.00 H ATOM 1250 HZ3 LYS A 86 30.749 26.437 17.002 1.00 0.00 H ATOM 1251 H LYS A 86 25.797 27.905 16.318 1.00 0.00 H ATOM 1252 N PHE A 87 25.661 28.580 13.355 1.00 28.79 N ATOM 1253 CA PHE A 87 25.400 28.426 11.927 1.00 27.12 C ATOM 1254 C PHE A 87 23.985 28.213 11.403 1.00 26.63 C ATOM 1255 O PHE A 87 23.801 28.181 10.185 1.00 26.81 O ATOM 1256 CB PHE A 87 26.286 27.319 11.346 1.00 28.04 C ATOM 1257 CG PHE A 87 27.732 27.405 11.751 1.00 27.86 C ATOM 1258 CD1 PHE A 87 28.425 28.610 11.690 1.00 28.15 C ATOM 1259 CD2 PHE A 87 28.405 26.270 12.195 1.00 25.21 C ATOM 1260 CE1 PHE A 87 29.760 28.678 12.070 1.00 27.33 C ATOM 1261 CE2 PHE A 87 29.738 26.333 12.575 1.00 27.66 C ATOM 1262 CZ PHE A 87 30.416 27.536 12.514 1.00 26.81 C ATOM 1263 HA PHE A 87 25.629 29.436 11.586 1.00 0.00 H ATOM 1264 HB2 PHE A 87 25.895 26.358 11.680 1.00 0.00 H ATOM 1265 HB3 PHE A 87 26.232 27.374 10.259 1.00 0.00 H ATOM 1266 HD2 PHE A 87 27.877 25.318 12.245 1.00 0.00 H ATOM 1267 HE2 PHE A 87 30.250 25.435 12.921 1.00 0.00 H ATOM 1268 HZ PHE A 87 31.463 27.589 12.813 1.00 0.00 H ATOM 1269 HE1 PHE A 87 30.293 29.628 12.020 1.00 0.00 H ATOM 1270 HD1 PHE A 87 27.916 29.509 11.341 1.00 0.00 H ATOM 1271 H PHE A 87 25.780 27.731 13.944 1.00 0.00 H ATOM 1272 N ALA A 88 22.997 28.018 12.272 1.00 25.62 N ATOM 1273 CA ALA A 88 21.627 27.792 11.784 1.00 29.20 C ATOM 1274 C ALA A 88 20.592 28.684 12.449 1.00 29.34 C ATOM 1275 O ALA A 88 19.454 28.273 12.692 1.00 27.33 O ATOM 1276 CB ALA A 88 21.228 26.313 11.933 1.00 26.27 C ATOM 1277 HA ALA A 88 21.639 28.061 10.728 1.00 0.00 H ATOM 1278 HB1 ALA A 88 21.913 25.693 11.355 1.00 0.00 H ATOM 1279 HB2 ALA A 88 21.278 26.029 12.984 1.00 0.00 H ATOM 1280 HB3 ALA A 88 20.211 26.173 11.565 1.00 0.00 H ATOM 1281 H ALA A 88 23.192 28.025 13.294 1.00 0.00 H ATOM 1282 N ARG A 89 20.985 29.924 12.704 1.00 33.40 N ATOM 1283 CA ARG A 89 20.106 30.893 13.337 1.00 39.01 C ATOM 1284 C ARG A 89 18.853 31.115 12.494 1.00 38.06 C ATOM 1285 O ARG A 89 17.760 31.341 13.027 1.00 41.02 O ATOM 1286 CB ARG A 89 20.843 32.223 13.511 1.00 45.83 C ATOM 1287 CG ARG A 89 21.968 32.210 14.535 1.00 53.55 C ATOM 1288 CD ARG A 89 21.474 31.788 15.918 1.00 61.75 C ATOM 1289 NE ARG A 89 20.272 32.497 16.374 1.00 70.38 N ATOM 1290 CZ ARG A 89 20.243 33.752 16.827 1.00 73.76 C ATOM 1291 NH1 ARG A 89 21.355 34.478 16.891 1.00 76.02 N ATOM 1292 NH2 ARG A 89 19.093 34.283 17.227 1.00 75.39 N ATOM 1293 HA ARG A 89 19.810 30.505 14.312 1.00 0.00 H ATOM 1294 HB2 ARG A 89 21.267 32.503 12.547 1.00 0.00 H ATOM 1295 HB3 ARG A 89 20.116 32.974 13.818 1.00 0.00 H ATOM 1296 HG2 ARG A 89 22.736 31.510 14.206 1.00 0.00 H ATOM 1297 HG3 ARG A 89 22.395 33.211 14.603 1.00 0.00 H ATOM 1298 HD2 ARG A 89 22.272 31.973 16.637 1.00 0.00 H ATOM 1299 HD3 ARG A 89 21.251 30.721 15.890 1.00 0.00 H ATOM 1300 HE ARG A 89 19.370 31.980 16.341 1.00 0.00 H ATOM 1301 HH12 ARG A 89 21.319 35.455 17.246 1.00 0.00 H ATOM 1302 HH11 ARG A 89 22.261 34.069 16.586 1.00 0.00 H ATOM 1303 HH22 ARG A 89 19.067 35.261 17.581 1.00 0.00 H ATOM 1304 HH21 ARG A 89 18.219 33.721 17.187 1.00 0.00 H ATOM 1305 H ARG A 89 21.950 30.212 12.444 1.00 0.00 H ATOM 1306 N ASP A 90 19.035 31.066 11.178 1.00 34.72 N ATOM 1307 CA ASP A 90 17.960 31.259 10.217 1.00 31.02 C ATOM 1308 C ASP A 90 16.975 30.101 10.208 1.00 32.00 C ATOM 1309 O ASP A 90 15.869 30.217 9.700 1.00 32.65 O ATOM 1310 CB ASP A 90 18.551 31.436 8.822 1.00 31.85 C ATOM 1311 CG ASP A 90 19.353 30.231 8.368 1.00 32.64 C ATOM 1312 OD1 ASP A 90 20.269 29.797 9.097 1.00 31.72 O ATOM 1313 OD2 ASP A 90 19.060 29.714 7.275 1.00 32.85 O ATOM 1314 HA ASP A 90 17.411 32.152 10.515 1.00 0.00 H ATOM 1315 HB2 ASP A 90 17.737 31.599 8.116 1.00 0.00 H ATOM 1316 HB3 ASP A 90 19.205 32.308 8.828 1.00 0.00 H ATOM 1317 H ASP A 90 19.993 30.881 10.818 1.00 0.00 H ATOM 1318 N ILE A 91 17.363 28.979 10.790 1.00 31.86 N ATOM 1319 CA ILE A 91 16.485 27.832 10.795 1.00 30.52 C ATOM 1320 C ILE A 91 15.686 27.766 12.070 1.00 29.62 C ATOM 1321 O ILE A 91 16.216 28.010 13.142 1.00 30.58 O ATOM 1322 CB ILE A 91 17.286 26.524 10.622 1.00 30.49 C ATOM 1323 CG1 ILE A 91 18.132 26.599 9.349 1.00 25.61 C ATOM 1324 CG2 ILE A 91 16.347 25.329 10.585 1.00 28.64 C ATOM 1325 CD1 ILE A 91 17.325 26.787 8.079 1.00 27.72 C ATOM 1326 HA ILE A 91 15.800 27.944 9.955 1.00 0.00 H ATOM 1327 HB ILE A 91 17.954 26.398 11.474 1.00 0.00 H ATOM 1328 HG12 ILE A 91 18.821 27.438 9.444 1.00 0.00 H ATOM 1329 HG13 ILE A 91 18.700 25.673 9.260 1.00 0.00 H ATOM 1330 HD11 ILE A 91 16.638 25.949 7.959 1.00 0.00 H ATOM 1331 HD12 ILE A 91 16.759 27.716 8.144 1.00 0.00 H ATOM 1332 HD13 ILE A 91 18.000 26.830 7.224 1.00 0.00 H ATOM 1333 HG21 ILE A 91 15.785 25.281 11.518 1.00 0.00 H ATOM 1334 HG22 ILE A 91 15.657 25.437 9.748 1.00 0.00 H ATOM 1335 HG23 ILE A 91 16.929 24.415 10.463 1.00 0.00 H ATOM 1336 H ILE A 91 18.298 28.922 11.243 1.00 0.00 H ATOM 1337 N PRO A 92 14.385 27.458 11.963 1.00 30.34 N ATOM 1338 CA PRO A 92 13.483 27.350 13.110 1.00 31.55 C ATOM 1339 C PRO A 92 13.892 26.243 14.079 1.00 32.13 C ATOM 1340 O PRO A 92 14.503 25.240 13.703 1.00 31.38 O ATOM 1341 CB PRO A 92 12.140 27.024 12.462 1.00 28.78 C ATOM 1342 CG PRO A 92 12.236 27.700 11.162 1.00 32.26 C ATOM 1343 CD PRO A 92 13.626 27.362 10.705 1.00 30.51 C ATOM 1344 HA PRO A 92 13.478 28.258 13.713 1.00 0.00 H ATOM 1345 HD3 PRO A 92 13.674 26.356 10.287 1.00 0.00 H ATOM 1346 HD2 PRO A 92 13.987 28.078 9.967 1.00 0.00 H ATOM 1347 HG3 PRO A 92 12.110 28.777 11.270 1.00 0.00 H ATOM 1348 HG2 PRO A 92 11.490 27.317 10.465 1.00 0.00 H ATOM 1349 HB2 PRO A 92 12.014 25.948 12.338 1.00 0.00 H ATOM 1350 HB3 PRO A 92 11.313 27.420 13.051 1.00 0.00 H ATOM 1351 N GLU A 93 13.492 26.427 15.324 1.00 30.19 N ATOM 1352 CA GLU A 93 13.775 25.498 16.392 1.00 30.59 C ATOM 1353 C GLU A 93 13.252 24.089 16.084 1.00 28.88 C ATOM 1354 O GLU A 93 13.887 23.097 16.427 1.00 29.64 O ATOM 1355 CB GLU A 93 13.118 26.040 17.668 1.00 31.09 C ATOM 1356 CG GLU A 93 13.622 25.466 18.974 1.00 38.48 C ATOM 1357 CD GLU A 93 15.028 25.916 19.352 1.00 38.68 C ATOM 1358 OE1 GLU A 93 15.607 26.824 18.717 1.00 41.34 O ATOM 1359 OE2 GLU A 93 15.559 25.347 20.310 1.00 39.46 O ATOM 1360 HA GLU A 93 14.855 25.410 16.514 1.00 0.00 H ATOM 1361 HB2 GLU A 93 13.279 27.118 17.694 1.00 0.00 H ATOM 1362 HB3 GLU A 93 12.049 25.835 17.605 1.00 0.00 H ATOM 1363 HG2 GLU A 93 12.940 25.771 19.768 1.00 0.00 H ATOM 1364 HG3 GLU A 93 13.621 24.379 18.893 1.00 0.00 H ATOM 1365 H GLU A 93 12.946 27.284 15.546 1.00 0.00 H ATOM 1366 N ASP A 94 12.100 23.997 15.436 1.00 27.44 N ATOM 1367 CA ASP A 94 11.517 22.689 15.146 1.00 27.35 C ATOM 1368 C ASP A 94 12.026 21.964 13.911 1.00 23.38 C ATOM 1369 O ASP A 94 11.529 20.887 13.577 1.00 24.95 O ATOM 1370 CB ASP A 94 9.976 22.746 15.164 1.00 29.09 C ATOM 1371 CG ASP A 94 9.382 23.630 14.068 1.00 32.07 C ATOM 1372 OD1 ASP A 94 10.104 24.080 13.146 1.00 32.99 O ATOM 1373 OD2 ASP A 94 8.154 23.857 14.137 1.00 35.94 O ATOM 1374 HA ASP A 94 11.878 22.069 15.967 1.00 0.00 H ATOM 1375 HB2 ASP A 94 9.592 21.734 15.036 1.00 0.00 H ATOM 1376 HB3 ASP A 94 9.657 23.135 16.131 1.00 0.00 H ATOM 1377 H ASP A 94 11.608 24.861 15.132 1.00 0.00 H ATOM 1378 N ARG A 95 12.984 22.559 13.212 1.00 20.33 N ATOM 1379 CA ARG A 95 13.534 21.908 12.042 1.00 21.60 C ATOM 1380 C ARG A 95 14.990 21.519 12.156 1.00 23.32 C ATOM 1381 O ARG A 95 15.580 21.112 11.170 1.00 26.07 O ATOM 1382 CB ARG A 95 13.310 22.720 10.781 1.00 20.82 C ATOM 1383 CG ARG A 95 11.900 22.603 10.276 1.00 24.37 C ATOM 1384 CD ARG A 95 11.860 22.844 8.802 1.00 29.33 C ATOM 1385 NE ARG A 95 12.282 24.192 8.456 1.00 31.66 N ATOM 1386 CZ ARG A 95 13.268 24.485 7.616 1.00 31.66 C ATOM 1387 NH1 ARG A 95 13.973 23.530 7.013 1.00 31.25 N ATOM 1388 NH2 ARG A 95 13.532 25.754 7.356 1.00 37.59 N ATOM 1389 HA ARG A 95 12.975 20.975 11.975 1.00 0.00 H ATOM 1390 HB2 ARG A 95 13.521 23.768 10.995 1.00 0.00 H ATOM 1391 HB3 ARG A 95 13.991 22.364 10.008 1.00 0.00 H ATOM 1392 HG2 ARG A 95 11.523 21.603 10.488 1.00 0.00 H ATOM 1393 HG3 ARG A 95 11.274 23.340 10.779 1.00 0.00 H ATOM 1394 HD2 ARG A 95 10.840 22.693 8.449 1.00 0.00 H ATOM 1395 HD3 ARG A 95 12.522 22.131 8.311 1.00 0.00 H ATOM 1396 HE ARG A 95 11.775 24.984 8.899 1.00 0.00 H ATOM 1397 HH12 ARG A 95 14.741 23.785 6.359 1.00 0.00 H ATOM 1398 HH11 ARG A 95 13.756 22.529 7.196 1.00 0.00 H ATOM 1399 HH22 ARG A 95 14.301 26.002 6.701 1.00 0.00 H ATOM 1400 HH21 ARG A 95 12.971 26.505 7.807 1.00 0.00 H ATOM 1401 H ARG A 95 13.339 23.492 13.504 1.00 0.00 H ATOM 1402 N CYS A 96 15.582 21.646 13.342 1.00 22.61 N ATOM 1403 CA CYS A 96 16.975 21.261 13.515 1.00 22.16 C ATOM 1404 C CYS A 96 17.210 20.361 14.720 1.00 19.66 C ATOM 1405 O CYS A 96 16.447 20.356 15.693 1.00 15.87 O ATOM 1406 CB CYS A 96 17.932 22.468 13.484 1.00 24.51 C ATOM 1407 SG CYS A 96 17.617 23.779 14.643 1.00 30.65 S ATOM 1408 HA CYS A 96 17.217 20.652 12.644 1.00 0.00 H ATOM 1409 HB2 CYS A 96 17.889 22.897 12.483 1.00 0.00 H ATOM 1410 HB3 CYS A 96 18.938 22.095 13.675 1.00 0.00 H ATOM 1411 HG CYS A 96 16.358 24.297 14.418 1.00 0.00 H ATOM 1412 H CYS A 96 15.046 22.023 14.150 1.00 0.00 H ATOM 1413 N PHE A 97 18.218 19.515 14.599 1.00 17.64 N ATOM 1414 CA PHE A 97 18.532 18.588 15.655 1.00 14.89 C ATOM 1415 C PHE A 97 19.979 18.124 15.530 1.00 13.70 C ATOM 1416 O PHE A 97 20.623 18.339 14.502 1.00 13.92 O ATOM 1417 CB PHE A 97 17.535 17.416 15.646 1.00 13.17 C ATOM 1418 CG PHE A 97 17.702 16.461 14.489 1.00 12.52 C ATOM 1419 CD1 PHE A 97 17.100 16.705 13.276 1.00 14.31 C ATOM 1420 CD2 PHE A 97 18.422 15.291 14.641 1.00 15.11 C ATOM 1421 CE1 PHE A 97 17.214 15.787 12.231 1.00 15.33 C ATOM 1422 CE2 PHE A 97 18.540 14.377 13.604 1.00 14.82 C ATOM 1423 CZ PHE A 97 17.938 14.620 12.406 1.00 11.79 C ATOM 1424 HA PHE A 97 18.434 19.084 16.621 1.00 0.00 H ATOM 1425 HB2 PHE A 97 17.661 16.855 16.572 1.00 0.00 H ATOM 1426 HB3 PHE A 97 16.526 17.827 15.606 1.00 0.00 H ATOM 1427 HD2 PHE A 97 18.907 15.082 15.595 1.00 0.00 H ATOM 1428 HE2 PHE A 97 19.115 13.463 13.748 1.00 0.00 H ATOM 1429 HZ PHE A 97 18.026 13.901 11.592 1.00 0.00 H ATOM 1430 HE1 PHE A 97 16.732 15.989 11.275 1.00 0.00 H ATOM 1431 HD1 PHE A 97 16.530 17.622 13.130 1.00 0.00 H ATOM 1432 H PHE A 97 18.791 19.519 13.731 1.00 0.00 H ATOM 1433 N SER A 98 20.494 17.534 16.604 1.00 15.09 N ATOM 1434 CA SER A 98 21.870 17.071 16.633 1.00 16.52 C ATOM 1435 C SER A 98 22.007 15.685 17.229 1.00 14.41 C ATOM 1436 O SER A 98 21.294 15.313 18.171 1.00 16.26 O ATOM 1437 CB SER A 98 22.759 18.040 17.433 1.00 18.03 C ATOM 1438 OG SER A 98 22.633 19.368 16.977 1.00 19.22 O ATOM 1439 HA SER A 98 22.195 17.032 15.593 1.00 0.00 H ATOM 1440 HB2 SER A 98 23.799 17.730 17.332 1.00 0.00 H ATOM 1441 HB3 SER A 98 22.469 17.999 18.483 1.00 0.00 H ATOM 1442 HG SER A 98 21.692 19.660 17.072 1.00 0.00 H ATOM 1443 H SER A 98 19.896 17.401 17.445 1.00 0.00 H ATOM 1444 N ILE A 99 22.933 14.925 16.653 1.00 12.84 N ATOM 1445 CA ILE A 99 23.240 13.576 17.106 1.00 13.77 C ATOM 1446 C ILE A 99 24.620 13.673 17.751 1.00 12.91 C ATOM 1447 O ILE A 99 25.589 14.057 17.086 1.00 14.17 O ATOM 1448 CB ILE A 99 23.305 12.555 15.923 1.00 13.40 C ATOM 1449 CG1 ILE A 99 21.969 12.548 15.144 1.00 12.57 C ATOM 1450 CG2 ILE A 99 23.636 11.164 16.471 1.00 10.72 C ATOM 1451 CD1 ILE A 99 21.949 11.636 13.926 1.00 9.36 C ATOM 1452 HA ILE A 99 22.466 13.220 17.786 1.00 0.00 H ATOM 1453 HB ILE A 99 24.090 12.851 15.227 1.00 0.00 H ATOM 1454 HG12 ILE A 99 21.181 12.225 15.824 1.00 0.00 H ATOM 1455 HG13 ILE A 99 21.765 13.565 14.810 1.00 0.00 H ATOM 1456 HD11 ILE A 99 22.722 11.951 13.225 1.00 0.00 H ATOM 1457 HD12 ILE A 99 22.138 10.609 14.239 1.00 0.00 H ATOM 1458 HD13 ILE A 99 20.973 11.697 13.444 1.00 0.00 H ATOM 1459 HG21 ILE A 99 24.599 11.195 16.980 1.00 0.00 H ATOM 1460 HG22 ILE A 99 22.862 10.858 17.175 1.00 0.00 H ATOM 1461 HG23 ILE A 99 23.682 10.452 15.647 1.00 0.00 H ATOM 1462 H ILE A 99 23.461 15.311 15.844 1.00 0.00 H ATOM 1463 N VAL A 100 24.691 13.386 19.044 1.00 11.50 N ATOM 1464 CA VAL A 100 25.954 13.446 19.783 1.00 12.70 C ATOM 1465 C VAL A 100 26.490 12.022 19.963 1.00 11.51 C ATOM 1466 O VAL A 100 25.736 11.129 20.309 1.00 13.19 O ATOM 1467 CB VAL A 100 25.737 14.112 21.161 1.00 14.86 C ATOM 1468 CG1 VAL A 100 27.062 14.195 21.941 1.00 14.92 C ATOM 1469 CG2 VAL A 100 25.113 15.503 20.977 1.00 14.58 C ATOM 1470 HA VAL A 100 26.676 14.043 19.225 1.00 0.00 H ATOM 1471 HB VAL A 100 25.049 13.500 21.745 1.00 0.00 H ATOM 1472 HG11 VAL A 100 27.456 13.190 22.093 1.00 0.00 H ATOM 1473 HG12 VAL A 100 27.780 14.786 21.373 1.00 0.00 H ATOM 1474 HG13 VAL A 100 26.884 14.667 22.907 1.00 0.00 H ATOM 1475 HG21 VAL A 100 25.781 16.123 20.379 1.00 0.00 H ATOM 1476 HG22 VAL A 100 24.153 15.405 20.469 1.00 0.00 H ATOM 1477 HG23 VAL A 100 24.964 15.965 21.953 1.00 0.00 H ATOM 1478 H VAL A 100 23.824 13.110 19.548 1.00 0.00 H ATOM 1479 N PHE A 101 27.779 11.817 19.705 1.00 10.03 N ATOM 1480 CA PHE A 101 28.401 10.499 19.801 1.00 12.53 C ATOM 1481 C PHE A 101 29.249 10.216 21.069 1.00 12.25 C ATOM 1482 O PHE A 101 29.693 11.129 21.769 1.00 12.59 O ATOM 1483 CB PHE A 101 29.226 10.237 18.538 1.00 8.77 C ATOM 1484 CG PHE A 101 28.414 10.279 17.276 1.00 12.38 C ATOM 1485 CD1 PHE A 101 27.607 9.208 16.918 1.00 12.97 C ATOM 1486 CD2 PHE A 101 28.414 11.404 16.474 1.00 12.84 C ATOM 1487 CE1 PHE A 101 26.804 9.264 15.767 1.00 15.13 C ATOM 1488 CE2 PHE A 101 27.615 11.471 15.322 1.00 13.29 C ATOM 1489 CZ PHE A 101 26.813 10.399 14.972 1.00 12.81 C ATOM 1490 HA PHE A 101 27.566 9.804 19.894 1.00 0.00 H ATOM 1491 HB2 PHE A 101 30.007 10.994 18.472 1.00 0.00 H ATOM 1492 HB3 PHE A 101 29.684 9.251 18.622 1.00 0.00 H ATOM 1493 HD2 PHE A 101 29.044 12.253 16.740 1.00 0.00 H ATOM 1494 HE2 PHE A 101 27.626 12.368 14.703 1.00 0.00 H ATOM 1495 HZ PHE A 101 26.193 10.447 14.077 1.00 0.00 H ATOM 1496 HE1 PHE A 101 26.174 8.415 15.499 1.00 0.00 H ATOM 1497 HD1 PHE A 101 27.596 8.312 17.538 1.00 0.00 H ATOM 1498 H PHE A 101 28.367 12.627 19.424 1.00 0.00 H ATOM 1499 N LYS A 102 29.419 8.936 21.376 1.00 14.37 N ATOM 1500 CA LYS A 102 30.196 8.498 22.534 1.00 15.09 C ATOM 1501 C LYS A 102 31.692 8.579 22.312 1.00 14.85 C ATOM 1502 O LYS A 102 32.442 8.850 23.241 1.00 16.43 O ATOM 1503 CB LYS A 102 29.852 7.052 22.897 1.00 12.15 C ATOM 1504 CG LYS A 102 28.404 6.849 23.293 1.00 16.12 C ATOM 1505 CD LYS A 102 28.130 5.421 23.702 1.00 17.44 C ATOM 1506 CE LYS A 102 26.667 5.265 24.079 1.00 22.01 C ATOM 1507 NZ LYS A 102 26.315 3.905 24.585 1.00 23.55 N ATOM 1508 HA LYS A 102 29.930 9.180 23.342 1.00 0.00 H ATOM 1509 HB2 LYS A 102 30.064 6.421 22.034 1.00 0.00 H ATOM 1510 HB3 LYS A 102 30.483 6.748 23.732 1.00 0.00 H ATOM 1511 HG2 LYS A 102 28.171 7.507 24.130 1.00 0.00 H ATOM 1512 HG3 LYS A 102 27.767 7.102 22.445 1.00 0.00 H ATOM 1513 HD2 LYS A 102 28.363 4.755 22.871 1.00 0.00 H ATOM 1514 HD3 LYS A 102 28.754 5.163 24.558 1.00 0.00 H ATOM 1515 HE2 LYS A 102 26.061 5.471 23.197 1.00 0.00 H ATOM 1516 HE3 LYS A 102 26.433 5.992 24.857 1.00 0.00 H ATOM 1517 HZ1 LYS A 102 26.521 3.199 23.850 1.00 0.00 H ATOM 1518 HZ2 LYS A 102 26.877 3.697 25.435 1.00 0.00 H ATOM 1519 HZ3 LYS A 102 25.303 3.876 24.821 1.00 0.00 H ATOM 1520 H LYS A 102 28.981 8.215 20.768 1.00 0.00 H ATOM 1521 N ASP A 103 32.127 8.329 21.087 1.00 15.48 N ATOM 1522 CA ASP A 103 33.543 8.321 20.772 1.00 16.18 C ATOM 1523 C ASP A 103 34.042 9.591 20.121 1.00 18.47 C ATOM 1524 O ASP A 103 33.454 10.652 20.308 1.00 19.12 O ATOM 1525 CB ASP A 103 33.876 7.107 19.915 1.00 14.66 C ATOM 1526 CG ASP A 103 33.084 7.059 18.626 1.00 21.54 C ATOM 1527 OD1 ASP A 103 32.345 8.014 18.295 1.00 18.90 O ATOM 1528 OD2 ASP A 103 33.195 6.033 17.935 1.00 25.03 O ATOM 1529 HA ASP A 103 34.068 8.262 21.725 1.00 0.00 H ATOM 1530 HB2 ASP A 103 34.938 7.135 19.670 1.00 0.00 H ATOM 1531 HB3 ASP A 103 33.660 6.206 20.489 1.00 0.00 H ATOM 1532 H ASP A 103 31.438 8.134 20.333 1.00 0.00 H ATOM 1533 N GLN A 104 35.108 9.494 19.333 1.00 18.99 N ATOM 1534 CA GLN A 104 35.668 10.685 18.711 1.00 22.21 C ATOM 1535 C GLN A 104 34.852 11.293 17.593 1.00 22.17 C ATOM 1536 O GLN A 104 35.153 12.403 17.150 1.00 23.38 O ATOM 1537 CB GLN A 104 37.103 10.458 18.227 1.00 27.92 C ATOM 1538 CG GLN A 104 37.295 9.278 17.312 1.00 35.30 C ATOM 1539 CD GLN A 104 37.609 8.007 18.075 1.00 42.70 C ATOM 1540 OE1 GLN A 104 36.700 7.256 18.460 1.00 43.71 O ATOM 1541 NE2 GLN A 104 38.904 7.752 18.299 1.00 44.80 N ATOM 1542 HA GLN A 104 35.652 11.413 19.522 1.00 0.00 H ATOM 1543 HB2 GLN A 104 37.425 11.353 17.694 1.00 0.00 H ATOM 1544 HB3 GLN A 104 37.735 10.311 19.103 1.00 0.00 H ATOM 1545 HG2 GLN A 104 36.381 9.126 16.738 1.00 0.00 H ATOM 1546 HG3 GLN A 104 38.119 9.492 16.631 1.00 0.00 H ATOM 1547 HE22 GLN A 104 39.631 8.412 17.956 1.00 0.00 H ATOM 1548 HE21 GLN A 104 39.183 6.894 18.816 1.00 0.00 H ATOM 1549 H GLN A 104 35.543 8.565 19.160 1.00 0.00 H ATOM 1550 N ARG A 105 33.838 10.564 17.142 1.00 20.87 N ATOM 1551 CA ARG A 105 32.960 11.014 16.064 1.00 22.79 C ATOM 1552 C ARG A 105 32.349 12.384 16.394 1.00 21.42 C ATOM 1553 O ARG A 105 31.829 12.608 17.496 1.00 21.24 O ATOM 1554 CB ARG A 105 31.883 9.945 15.808 1.00 23.30 C ATOM 1555 CG ARG A 105 30.972 10.161 14.606 1.00 31.72 C ATOM 1556 CD ARG A 105 30.064 8.939 14.379 1.00 34.25 C ATOM 1557 NE ARG A 105 30.521 8.064 13.293 1.00 43.12 N ATOM 1558 CZ ARG A 105 30.823 6.772 13.424 1.00 44.54 C ATOM 1559 NH1 ARG A 105 30.727 6.174 14.606 1.00 45.04 N ATOM 1560 NH2 ARG A 105 31.207 6.069 12.357 1.00 44.91 N ATOM 1561 HA ARG A 105 33.538 11.143 15.149 1.00 0.00 H ATOM 1562 HB2 ARG A 105 32.392 8.991 15.669 1.00 0.00 H ATOM 1563 HB3 ARG A 105 31.252 9.893 16.695 1.00 0.00 H ATOM 1564 HG2 ARG A 105 30.351 11.040 14.781 1.00 0.00 H ATOM 1565 HG3 ARG A 105 31.584 10.321 13.718 1.00 0.00 H ATOM 1566 HD2 ARG A 105 29.062 9.293 14.138 1.00 0.00 H ATOM 1567 HD3 ARG A 105 30.031 8.357 15.300 1.00 0.00 H ATOM 1568 HE ARG A 105 30.617 8.485 12.347 1.00 0.00 H ATOM 1569 HH12 ARG A 105 30.964 5.166 14.700 1.00 0.00 H ATOM 1570 HH11 ARG A 105 30.414 6.714 15.438 1.00 0.00 H ATOM 1571 HH22 ARG A 105 31.443 5.061 12.456 1.00 0.00 H ATOM 1572 HH21 ARG A 105 31.270 6.529 11.426 1.00 0.00 H ATOM 1573 H ARG A 105 33.661 9.634 17.574 1.00 0.00 H ATOM 1574 N ASN A 106 32.510 13.327 15.469 1.00 21.44 N ATOM 1575 CA ASN A 106 31.970 14.669 15.651 1.00 23.25 C ATOM 1576 C ASN A 106 30.465 14.674 15.605 1.00 21.62 C ATOM 1577 O ASN A 106 29.860 13.992 14.781 1.00 23.85 O ATOM 1578 CB ASN A 106 32.425 15.603 14.547 1.00 30.37 C ATOM 1579 CG ASN A 106 33.799 16.130 14.771 1.00 36.81 C ATOM 1580 OD1 ASN A 106 34.719 15.809 14.023 1.00 39.52 O ATOM 1581 ND2 ASN A 106 33.960 16.953 15.798 1.00 41.46 N ATOM 1582 HA ASN A 106 32.332 15.001 16.624 1.00 0.00 H ATOM 1583 HB2 ASN A 106 32.409 15.060 13.602 1.00 0.00 H ATOM 1584 HB3 ASN A 106 31.733 16.444 14.494 1.00 0.00 H ATOM 1585 HD22 ASN A 106 33.149 17.195 16.403 1.00 0.00 H ATOM 1586 HD21 ASN A 106 34.897 17.357 15.999 1.00 0.00 H ATOM 1587 H ASN A 106 33.032 13.102 14.598 1.00 0.00 H ATOM 1588 N THR A 107 29.882 15.518 16.438 1.00 19.45 N ATOM 1589 CA THR A 107 28.447 15.704 16.523 1.00 18.11 C ATOM 1590 C THR A 107 27.900 16.165 15.160 1.00 16.14 C ATOM 1591 O THR A 107 28.547 16.952 14.453 1.00 15.85 O ATOM 1592 CB THR A 107 28.135 16.735 17.640 1.00 15.29 C ATOM 1593 OG1 THR A 107 28.568 16.195 18.894 1.00 18.96 O ATOM 1594 CG2 THR A 107 26.639 17.043 17.731 1.00 16.67 C ATOM 1595 HA THR A 107 27.959 14.763 16.776 1.00 0.00 H ATOM 1596 HB THR A 107 28.658 17.661 17.403 1.00 0.00 H ATOM 1597 HG1 THR A 107 28.374 16.844 19.616 1.00 0.00 H ATOM 1598 HG23 THR A 107 26.296 17.455 16.782 1.00 0.00 H ATOM 1599 HG21 THR A 107 26.093 16.125 17.949 1.00 0.00 H ATOM 1600 HG22 THR A 107 26.466 17.767 18.527 1.00 0.00 H ATOM 1601 H THR A 107 30.487 16.081 17.069 1.00 0.00 H ATOM 1602 N LEU A 108 26.795 15.546 14.747 1.00 16.15 N ATOM 1603 CA LEU A 108 26.120 15.880 13.504 1.00 13.39 C ATOM 1604 C LEU A 108 25.049 16.921 13.793 1.00 12.87 C ATOM 1605 O LEU A 108 24.141 16.660 14.580 1.00 13.10 O ATOM 1606 CB LEU A 108 25.426 14.654 12.937 1.00 14.96 C ATOM 1607 CG LEU A 108 26.292 13.645 12.220 1.00 17.27 C ATOM 1608 CD1 LEU A 108 25.423 12.509 11.698 1.00 15.84 C ATOM 1609 CD2 LEU A 108 27.019 14.367 11.108 1.00 19.46 C ATOM 1610 HA LEU A 108 26.857 16.253 12.793 1.00 0.00 H ATOM 1611 HB2 LEU A 108 24.938 14.140 13.765 1.00 0.00 H ATOM 1612 HB3 LEU A 108 24.671 15.000 12.231 1.00 0.00 H ATOM 1613 HG LEU A 108 27.028 13.202 12.890 1.00 0.00 H ATOM 1614 HD21 LEU A 108 26.292 14.798 10.420 1.00 0.00 H ATOM 1615 HD22 LEU A 108 27.634 15.160 11.533 1.00 0.00 H ATOM 1616 HD23 LEU A 108 27.653 13.661 10.572 1.00 0.00 H ATOM 1617 HD11 LEU A 108 24.918 12.026 12.534 1.00 0.00 H ATOM 1618 HD12 LEU A 108 24.682 12.909 11.006 1.00 0.00 H ATOM 1619 HD13 LEU A 108 26.049 11.782 11.181 1.00 0.00 H ATOM 1620 H LEU A 108 26.398 14.790 15.341 1.00 0.00 H ATOM 1621 N ASP A 109 25.162 18.091 13.172 1.00 14.52 N ATOM 1622 CA ASP A 109 24.196 19.178 13.339 1.00 14.46 C ATOM 1623 C ASP A 109 23.379 19.107 12.080 1.00 12.88 C ATOM 1624 O ASP A 109 23.911 19.254 10.989 1.00 12.76 O ATOM 1625 CB ASP A 109 24.917 20.514 13.468 1.00 13.57 C ATOM 1626 CG ASP A 109 25.656 20.646 14.792 1.00 16.60 C ATOM 1627 OD1 ASP A 109 25.095 20.213 15.820 1.00 15.91 O ATOM 1628 OD2 ASP A 109 26.790 21.181 14.813 1.00 16.88 O ATOM 1629 HA ASP A 109 23.585 19.088 14.237 1.00 0.00 H ATOM 1630 HB2 ASP A 109 25.636 20.604 12.654 1.00 0.00 H ATOM 1631 HB3 ASP A 109 24.184 21.317 13.394 1.00 0.00 H ATOM 1632 H ASP A 109 25.973 18.241 12.539 1.00 0.00 H ATOM 1633 N LEU A 110 22.090 18.857 12.233 1.00 13.47 N ATOM 1634 CA LEU A 110 21.241 18.651 11.075 1.00 12.94 C ATOM 1635 C LEU A 110 19.994 19.515 10.951 1.00 14.13 C ATOM 1636 O LEU A 110 19.344 19.847 11.948 1.00 16.23 O ATOM 1637 CB LEU A 110 20.841 17.163 11.033 1.00 12.30 C ATOM 1638 CG LEU A 110 21.978 16.119 10.990 1.00 9.69 C ATOM 1639 CD1 LEU A 110 21.492 14.741 11.512 1.00 11.92 C ATOM 1640 CD2 LEU A 110 22.562 16.013 9.585 1.00 10.33 C ATOM 1641 HA LEU A 110 21.848 18.966 10.226 1.00 0.00 H ATOM 1642 HB2 LEU A 110 20.245 16.960 11.922 1.00 0.00 H ATOM 1643 HB3 LEU A 110 20.228 17.015 10.144 1.00 0.00 H ATOM 1644 HG LEU A 110 22.774 16.455 11.655 1.00 0.00 H ATOM 1645 HD21 LEU A 110 21.779 15.710 8.889 1.00 0.00 H ATOM 1646 HD22 LEU A 110 22.962 16.982 9.285 1.00 0.00 H ATOM 1647 HD23 LEU A 110 23.361 15.272 9.580 1.00 0.00 H ATOM 1648 HD11 LEU A 110 21.151 14.844 12.542 1.00 0.00 H ATOM 1649 HD12 LEU A 110 20.670 14.388 10.890 1.00 0.00 H ATOM 1650 HD13 LEU A 110 22.315 14.027 11.469 1.00 0.00 H ATOM 1651 H LEU A 110 21.682 18.808 13.189 1.00 0.00 H ATOM 1652 N ILE A 111 19.665 19.854 9.705 1.00 13.15 N ATOM 1653 CA ILE A 111 18.479 20.644 9.386 1.00 15.83 C ATOM 1654 C ILE A 111 17.498 19.761 8.588 1.00 17.67 C ATOM 1655 O ILE A 111 17.857 19.225 7.531 1.00 19.37 O ATOM 1656 CB ILE A 111 18.842 21.883 8.545 1.00 14.84 C ATOM 1657 CG1 ILE A 111 19.733 22.832 9.360 1.00 15.50 C ATOM 1658 CG2 ILE A 111 17.564 22.572 8.063 1.00 16.49 C ATOM 1659 CD1 ILE A 111 20.382 23.903 8.552 1.00 14.42 C ATOM 1660 HA ILE A 111 18.025 20.985 10.317 1.00 0.00 H ATOM 1661 HB ILE A 111 19.409 21.578 7.665 1.00 0.00 H ATOM 1662 HG12 ILE A 111 19.118 23.306 10.126 1.00 0.00 H ATOM 1663 HG13 ILE A 111 20.515 22.242 9.837 1.00 0.00 H ATOM 1664 HD11 ILE A 111 21.012 23.448 7.788 1.00 0.00 H ATOM 1665 HD12 ILE A 111 19.614 24.513 8.076 1.00 0.00 H ATOM 1666 HD13 ILE A 111 20.993 24.528 9.203 1.00 0.00 H ATOM 1667 HG21 ILE A 111 16.986 21.877 7.453 1.00 0.00 H ATOM 1668 HG22 ILE A 111 16.972 22.880 8.925 1.00 0.00 H ATOM 1669 HG23 ILE A 111 17.827 23.447 7.469 1.00 0.00 H ATOM 1670 H ILE A 111 20.280 19.542 8.926 1.00 0.00 H ATOM 1671 N ALA A 112 16.295 19.569 9.124 1.00 16.38 N ATOM 1672 CA ALA A 112 15.262 18.756 8.496 1.00 18.35 C ATOM 1673 C ALA A 112 14.424 19.590 7.515 1.00 23.95 C ATOM 1674 O ALA A 112 14.129 20.751 7.796 1.00 24.85 O ATOM 1675 CB ALA A 112 14.352 18.167 9.573 1.00 13.14 C ATOM 1676 HA ALA A 112 15.746 17.954 7.939 1.00 0.00 H ATOM 1677 HB1 ALA A 112 14.943 17.547 10.247 1.00 0.00 H ATOM 1678 HB2 ALA A 112 13.886 18.976 10.136 1.00 0.00 H ATOM 1679 HB3 ALA A 112 13.580 17.559 9.102 1.00 0.00 H ATOM 1680 H ALA A 112 16.082 20.022 10.036 1.00 0.00 H ATOM 1681 N PRO A 113 14.038 19.016 6.346 1.00 26.25 N ATOM 1682 CA PRO A 113 13.225 19.788 5.389 1.00 26.94 C ATOM 1683 C PRO A 113 11.860 20.236 5.950 1.00 28.37 C ATOM 1684 O PRO A 113 11.254 21.179 5.435 1.00 31.65 O ATOM 1685 CB PRO A 113 13.096 18.842 4.182 1.00 23.44 C ATOM 1686 CG PRO A 113 13.358 17.493 4.731 1.00 24.57 C ATOM 1687 CD PRO A 113 14.447 17.728 5.754 1.00 24.75 C ATOM 1688 HA PRO A 113 13.693 20.739 5.133 1.00 0.00 H ATOM 1689 HD3 PRO A 113 14.466 16.936 6.502 1.00 0.00 H ATOM 1690 HD2 PRO A 113 15.426 17.802 5.281 1.00 0.00 H ATOM 1691 HG3 PRO A 113 13.699 16.814 3.949 1.00 0.00 H ATOM 1692 HG2 PRO A 113 12.464 17.084 5.201 1.00 0.00 H ATOM 1693 HB2 PRO A 113 12.094 18.896 3.756 1.00 0.00 H ATOM 1694 HB3 PRO A 113 13.829 19.094 3.416 1.00 0.00 H ATOM 1695 N SER A 114 11.394 19.594 7.020 1.00 28.59 N ATOM 1696 CA SER A 114 10.125 19.966 7.645 1.00 28.54 C ATOM 1697 C SER A 114 10.104 19.500 9.105 1.00 26.26 C ATOM 1698 O SER A 114 10.939 18.704 9.520 1.00 27.76 O ATOM 1699 CB SER A 114 8.939 19.347 6.875 1.00 29.15 C ATOM 1700 OG SER A 114 8.729 17.992 7.239 1.00 28.26 O ATOM 1701 HA SER A 114 10.028 21.051 7.615 1.00 0.00 H ATOM 1702 HB2 SER A 114 9.146 19.398 5.806 1.00 0.00 H ATOM 1703 HB3 SER A 114 8.037 19.917 7.097 1.00 0.00 H ATOM 1704 HG SER A 114 7.963 17.629 6.727 1.00 0.00 H ATOM 1705 H SER A 114 11.946 18.809 7.421 1.00 0.00 H ATOM 1706 N PRO A 115 9.166 20.015 9.911 1.00 26.76 N ATOM 1707 CA PRO A 115 9.053 19.628 11.324 1.00 24.87 C ATOM 1708 C PRO A 115 8.685 18.159 11.493 1.00 24.46 C ATOM 1709 O PRO A 115 9.045 17.554 12.490 1.00 24.86 O ATOM 1710 CB PRO A 115 7.941 20.531 11.839 1.00 23.13 C ATOM 1711 CG PRO A 115 8.149 21.773 11.021 1.00 26.54 C ATOM 1712 CD PRO A 115 8.331 21.198 9.631 1.00 26.77 C ATOM 1713 HA PRO A 115 9.994 19.741 11.863 1.00 0.00 H ATOM 1714 HD3 PRO A 115 7.376 20.916 9.188 1.00 0.00 H ATOM 1715 HD2 PRO A 115 8.842 21.900 8.973 1.00 0.00 H ATOM 1716 HG3 PRO A 115 9.035 22.319 11.345 1.00 0.00 H ATOM 1717 HG2 PRO A 115 7.281 22.431 11.069 1.00 0.00 H ATOM 1718 HB2 PRO A 115 6.959 20.095 11.656 1.00 0.00 H ATOM 1719 HB3 PRO A 115 8.055 20.733 12.904 1.00 0.00 H ATOM 1720 N ALA A 116 7.925 17.598 10.551 1.00 22.79 N ATOM 1721 CA ALA A 116 7.574 16.182 10.622 1.00 21.32 C ATOM 1722 C ALA A 116 8.874 15.375 10.559 1.00 19.91 C ATOM 1723 O ALA A 116 9.058 14.435 11.327 1.00 20.54 O ATOM 1724 CB ALA A 116 6.658 15.793 9.467 1.00 18.63 C ATOM 1725 HA ALA A 116 7.039 15.977 11.549 1.00 0.00 H ATOM 1726 HB1 ALA A 116 5.744 16.385 9.514 1.00 0.00 H ATOM 1727 HB2 ALA A 116 7.167 15.983 8.522 1.00 0.00 H ATOM 1728 HB3 ALA A 116 6.411 14.734 9.542 1.00 0.00 H ATOM 1729 H ALA A 116 7.579 18.175 9.758 1.00 0.00 H ATOM 1730 N ASP A 117 9.792 15.773 9.682 1.00 18.57 N ATOM 1731 CA ASP A 117 11.066 15.072 9.547 1.00 19.69 C ATOM 1732 C ASP A 117 11.915 15.136 10.796 1.00 17.65 C ATOM 1733 O ASP A 117 12.390 14.112 11.273 1.00 17.08 O ATOM 1734 CB ASP A 117 11.863 15.598 8.369 1.00 21.99 C ATOM 1735 CG ASP A 117 11.184 15.324 7.060 1.00 30.59 C ATOM 1736 OD1 ASP A 117 10.811 14.162 6.798 1.00 31.96 O ATOM 1737 OD2 ASP A 117 10.992 16.282 6.296 1.00 38.69 O ATOM 1738 HA ASP A 117 10.808 14.027 9.376 1.00 0.00 H ATOM 1739 HB2 ASP A 117 11.988 16.675 8.482 1.00 0.00 H ATOM 1740 HB3 ASP A 117 12.842 15.119 8.365 1.00 0.00 H ATOM 1741 H ASP A 117 9.599 16.599 9.081 1.00 0.00 H ATOM 1742 N ALA A 118 12.109 16.339 11.328 1.00 18.68 N ATOM 1743 CA ALA A 118 12.898 16.503 12.549 1.00 15.97 C ATOM 1744 C ALA A 118 12.284 15.659 13.656 1.00 16.44 C ATOM 1745 O ALA A 118 13.001 14.984 14.413 1.00 14.39 O ATOM 1746 CB ALA A 118 12.972 17.981 12.954 1.00 19.19 C ATOM 1747 HA ALA A 118 13.919 16.165 12.370 1.00 0.00 H ATOM 1748 HB1 ALA A 118 13.440 18.553 12.153 1.00 0.00 H ATOM 1749 HB2 ALA A 118 11.965 18.359 13.132 1.00 0.00 H ATOM 1750 HB3 ALA A 118 13.564 18.078 13.864 1.00 0.00 H ATOM 1751 H ALA A 118 11.694 17.175 10.870 1.00 0.00 H ATOM 1752 N GLN A 119 10.948 15.646 13.701 1.00 15.91 N ATOM 1753 CA GLN A 119 10.191 14.861 14.682 1.00 16.92 C ATOM 1754 C GLN A 119 10.534 13.370 14.563 1.00 14.88 C ATOM 1755 O GLN A 119 10.868 12.713 15.555 1.00 16.84 O ATOM 1756 CB GLN A 119 8.666 15.082 14.487 1.00 16.34 C ATOM 1757 CG GLN A 119 7.727 14.281 15.423 1.00 16.17 C ATOM 1758 CD GLN A 119 7.822 14.671 16.900 1.00 20.86 C ATOM 1759 OE1 GLN A 119 7.241 14.007 17.758 1.00 27.21 O ATOM 1760 NE2 GLN A 119 8.531 15.743 17.204 1.00 19.67 N ATOM 1761 HA GLN A 119 10.468 15.198 15.681 1.00 0.00 H ATOM 1762 HB2 GLN A 119 8.462 16.142 14.641 1.00 0.00 H ATOM 1763 HB3 GLN A 119 8.420 14.811 13.460 1.00 0.00 H ATOM 1764 HG2 GLN A 119 6.700 14.440 15.094 1.00 0.00 H ATOM 1765 HG3 GLN A 119 7.976 13.224 15.333 1.00 0.00 H ATOM 1766 HE22 GLN A 119 9.009 16.281 16.453 1.00 0.00 H ATOM 1767 HE21 GLN A 119 8.611 16.050 18.195 1.00 0.00 H ATOM 1768 H GLN A 119 10.422 16.218 13.010 1.00 0.00 H ATOM 1769 N HIS A 120 10.469 12.844 13.344 1.00 15.35 N ATOM 1770 CA HIS A 120 10.763 11.432 13.107 1.00 14.70 C ATOM 1771 C HIS A 120 12.164 11.051 13.546 1.00 14.46 C ATOM 1772 O HIS A 120 12.340 10.051 14.230 1.00 14.74 O ATOM 1773 CB HIS A 120 10.561 11.067 11.632 1.00 18.07 C ATOM 1774 CG HIS A 120 9.168 11.312 11.142 1.00 18.92 C ATOM 1775 ND1 HIS A 120 8.896 11.835 9.895 1.00 20.56 N ATOM 1776 CD2 HIS A 120 7.970 11.151 11.752 1.00 19.53 C ATOM 1777 CE1 HIS A 120 7.591 11.988 9.759 1.00 20.43 C ATOM 1778 NE2 HIS A 120 7.007 11.582 10.872 1.00 20.83 N ATOM 1779 HA HIS A 120 10.059 10.864 13.715 1.00 0.00 H ATOM 1780 HB2 HIS A 120 11.248 11.663 11.031 1.00 0.00 H ATOM 1781 HB3 HIS A 120 10.791 10.009 11.503 1.00 0.00 H ATOM 1782 HD2 HIS A 120 7.801 10.754 12.753 1.00 0.00 H ATOM 1783 HE1 HIS A 120 7.083 12.382 8.879 1.00 0.00 H ATOM 1784 H HIS A 120 10.203 13.450 12.542 1.00 0.00 H ATOM 1785 N TRP A 121 13.160 11.837 13.158 1.00 13.88 N ATOM 1786 CA TRP A 121 14.530 11.529 13.539 1.00 14.83 C ATOM 1787 C TRP A 121 14.784 11.601 15.047 1.00 15.38 C ATOM 1788 O TRP A 121 15.293 10.651 15.646 1.00 15.14 O ATOM 1789 CB TRP A 121 15.502 12.420 12.778 1.00 13.95 C ATOM 1790 CG TRP A 121 15.681 11.960 11.357 1.00 19.76 C ATOM 1791 CD1 TRP A 121 15.001 12.401 10.255 1.00 18.04 C ATOM 1792 CD2 TRP A 121 16.530 10.891 10.906 1.00 19.89 C ATOM 1793 NE1 TRP A 121 15.361 11.660 9.152 1.00 21.99 N ATOM 1794 CE2 TRP A 121 16.296 10.726 9.524 1.00 19.52 C ATOM 1795 CE3 TRP A 121 17.458 10.047 11.544 1.00 20.92 C ATOM 1796 CZ2 TRP A 121 16.950 9.753 8.765 1.00 17.73 C ATOM 1797 CZ3 TRP A 121 18.111 9.072 10.782 1.00 18.95 C ATOM 1798 CH2 TRP A 121 17.849 8.938 9.410 1.00 20.00 C ATOM 1799 HA TRP A 121 14.699 10.488 13.264 1.00 0.00 H ATOM 1800 HB2 TRP A 121 15.118 13.440 12.774 1.00 0.00 H ATOM 1801 HB3 TRP A 121 16.469 12.399 13.281 1.00 0.00 H ATOM 1802 HE1 TRP A 121 14.985 11.787 8.191 1.00 0.00 H ATOM 1803 HD1 TRP A 121 14.280 13.219 10.251 1.00 0.00 H ATOM 1804 HZ2 TRP A 121 16.754 9.644 7.698 1.00 0.00 H ATOM 1805 HH2 TRP A 121 18.371 8.168 8.842 1.00 0.00 H ATOM 1806 HZ3 TRP A 121 18.832 8.409 11.260 1.00 0.00 H ATOM 1807 HE3 TRP A 121 17.664 10.151 12.609 1.00 0.00 H ATOM 1808 H TRP A 121 12.960 12.677 12.579 1.00 0.00 H ATOM 1809 N VAL A 122 14.386 12.699 15.675 1.00 17.00 N ATOM 1810 CA VAL A 122 14.590 12.842 17.116 1.00 16.54 C ATOM 1811 C VAL A 122 13.853 11.751 17.864 1.00 17.67 C ATOM 1812 O VAL A 122 14.475 10.940 18.560 1.00 17.95 O ATOM 1813 CB VAL A 122 14.125 14.208 17.598 1.00 18.54 C ATOM 1814 CG1 VAL A 122 14.162 14.292 19.140 1.00 13.63 C ATOM 1815 CG2 VAL A 122 14.995 15.272 16.953 1.00 18.38 C ATOM 1816 HA VAL A 122 15.658 12.751 17.316 1.00 0.00 H ATOM 1817 HB VAL A 122 13.088 14.372 17.303 1.00 0.00 H ATOM 1818 HG11 VAL A 122 13.505 13.530 19.560 1.00 0.00 H ATOM 1819 HG12 VAL A 122 15.182 14.126 19.487 1.00 0.00 H ATOM 1820 HG13 VAL A 122 13.825 15.279 19.457 1.00 0.00 H ATOM 1821 HG21 VAL A 122 16.035 15.112 17.238 1.00 0.00 H ATOM 1822 HG22 VAL A 122 14.901 15.209 15.869 1.00 0.00 H ATOM 1823 HG23 VAL A 122 14.672 16.257 17.290 1.00 0.00 H ATOM 1824 H VAL A 122 13.926 13.463 15.140 1.00 0.00 H ATOM 1825 N GLN A 123 12.532 11.705 17.689 1.00 18.69 N ATOM 1826 CA GLN A 123 11.706 10.698 18.342 1.00 16.95 C ATOM 1827 C GLN A 123 12.098 9.278 17.985 1.00 15.21 C ATOM 1828 O GLN A 123 12.166 8.430 18.856 1.00 17.09 O ATOM 1829 CB GLN A 123 10.235 10.905 18.001 1.00 20.49 C ATOM 1830 CG GLN A 123 9.629 12.092 18.687 1.00 24.08 C ATOM 1831 CD GLN A 123 9.599 11.911 20.182 1.00 27.52 C ATOM 1832 OE1 GLN A 123 10.584 12.190 20.870 1.00 24.71 O ATOM 1833 NE2 GLN A 123 8.471 11.432 20.698 1.00 31.16 N ATOM 1834 HA GLN A 123 11.871 10.827 19.412 1.00 0.00 H ATOM 1835 HB2 GLN A 123 10.146 11.045 16.924 1.00 0.00 H ATOM 1836 HB3 GLN A 123 9.682 10.014 18.298 1.00 0.00 H ATOM 1837 HG2 GLN A 123 10.218 12.978 18.449 1.00 0.00 H ATOM 1838 HG3 GLN A 123 8.609 12.228 18.326 1.00 0.00 H ATOM 1839 HE22 GLN A 123 7.667 11.212 20.076 1.00 0.00 H ATOM 1840 HE21 GLN A 123 8.393 11.278 21.723 1.00 0.00 H ATOM 1841 H GLN A 123 12.079 12.407 17.070 1.00 0.00 H ATOM 1842 N GLY A 124 12.356 9.026 16.704 1.00 16.59 N ATOM 1843 CA GLY A 124 12.725 7.695 16.251 1.00 16.54 C ATOM 1844 C GLY A 124 14.026 7.200 16.857 1.00 17.43 C ATOM 1845 O GLY A 124 14.095 6.071 17.345 1.00 17.17 O ATOM 1846 HA3 GLY A 124 12.832 7.714 15.166 1.00 0.00 H ATOM 1847 HA2 GLY A 124 11.929 7.002 16.524 1.00 0.00 H ATOM 1848 H GLY A 124 12.292 9.799 16.011 1.00 0.00 H ATOM 1849 N LEU A 125 15.056 8.043 16.845 1.00 14.83 N ATOM 1850 CA LEU A 125 16.352 7.663 17.403 1.00 15.17 C ATOM 1851 C LEU A 125 16.269 7.530 18.911 1.00 16.46 C ATOM 1852 O LEU A 125 16.829 6.592 19.476 1.00 16.23 O ATOM 1853 CB LEU A 125 17.455 8.655 16.990 1.00 15.89 C ATOM 1854 CG LEU A 125 17.749 8.661 15.476 1.00 15.65 C ATOM 1855 CD1 LEU A 125 18.920 9.574 15.142 1.00 16.01 C ATOM 1856 CD2 LEU A 125 18.028 7.248 14.990 1.00 12.72 C ATOM 1857 HA LEU A 125 16.621 6.690 16.992 1.00 0.00 H ATOM 1858 HB2 LEU A 125 17.144 9.657 17.284 1.00 0.00 H ATOM 1859 HB3 LEU A 125 18.371 8.390 17.518 1.00 0.00 H ATOM 1860 HG LEU A 125 16.867 9.047 14.964 1.00 0.00 H ATOM 1861 HD21 LEU A 125 18.892 6.847 15.520 1.00 0.00 H ATOM 1862 HD22 LEU A 125 17.158 6.620 15.183 1.00 0.00 H ATOM 1863 HD23 LEU A 125 18.234 7.267 13.920 1.00 0.00 H ATOM 1864 HD11 LEU A 125 18.686 10.592 15.454 1.00 0.00 H ATOM 1865 HD12 LEU A 125 19.810 9.228 15.667 1.00 0.00 H ATOM 1866 HD13 LEU A 125 19.099 9.554 14.067 1.00 0.00 H ATOM 1867 H LEU A 125 14.936 8.989 16.431 1.00 0.00 H ATOM 1868 N ARG A 126 15.536 8.426 19.567 1.00 17.57 N ATOM 1869 CA ARG A 126 15.380 8.329 21.022 1.00 20.03 C ATOM 1870 C ARG A 126 14.737 7.005 21.414 1.00 20.26 C ATOM 1871 O ARG A 126 15.117 6.409 22.416 1.00 21.26 O ATOM 1872 CB ARG A 126 14.574 9.503 21.582 1.00 20.05 C ATOM 1873 CG ARG A 126 15.392 10.787 21.698 1.00 22.81 C ATOM 1874 CD ARG A 126 14.554 11.952 22.188 1.00 21.69 C ATOM 1875 NE ARG A 126 15.336 13.179 22.276 1.00 24.21 N ATOM 1876 CZ ARG A 126 14.819 14.379 22.533 1.00 29.49 C ATOM 1877 NH1 ARG A 126 13.514 14.512 22.728 1.00 28.31 N ATOM 1878 NH2 ARG A 126 15.606 15.453 22.606 1.00 27.39 N ATOM 1879 HA ARG A 126 16.378 8.371 21.459 1.00 0.00 H ATOM 1880 HB2 ARG A 126 13.727 9.689 20.922 1.00 0.00 H ATOM 1881 HB3 ARG A 126 14.209 9.233 22.573 1.00 0.00 H ATOM 1882 HG2 ARG A 126 16.210 10.622 22.400 1.00 0.00 H ATOM 1883 HG3 ARG A 126 15.800 11.034 20.718 1.00 0.00 H ATOM 1884 HD2 ARG A 126 14.159 11.713 23.175 1.00 0.00 H ATOM 1885 HD3 ARG A 126 13.727 12.109 21.495 1.00 0.00 H ATOM 1886 HE ARG A 126 16.363 13.113 22.129 1.00 0.00 H ATOM 1887 HH12 ARG A 126 13.111 15.450 22.929 1.00 0.00 H ATOM 1888 HH11 ARG A 126 12.894 13.679 22.680 1.00 0.00 H ATOM 1889 HH22 ARG A 126 15.194 16.387 22.807 1.00 0.00 H ATOM 1890 HH21 ARG A 126 16.631 15.357 22.462 1.00 0.00 H ATOM 1891 H ARG A 126 15.072 9.198 19.046 1.00 0.00 H ATOM 1892 N LYS A 127 13.810 6.520 20.592 1.00 20.44 N ATOM 1893 CA LYS A 127 13.146 5.255 20.857 1.00 22.47 C ATOM 1894 C LYS A 127 14.139 4.111 20.788 1.00 25.50 C ATOM 1895 O LYS A 127 14.102 3.208 21.611 1.00 27.22 O ATOM 1896 CB LYS A 127 12.027 4.995 19.841 1.00 23.97 C ATOM 1897 CG LYS A 127 10.893 6.009 19.869 1.00 30.07 C ATOM 1898 CD LYS A 127 9.880 5.765 18.746 1.00 30.51 C ATOM 1899 CE LYS A 127 8.993 6.980 18.467 1.00 27.22 C ATOM 1900 NZ LYS A 127 8.340 7.573 19.690 1.00 34.82 N ATOM 1901 HA LYS A 127 12.717 5.315 21.857 1.00 0.00 H ATOM 1902 HB2 LYS A 127 12.466 5.003 18.843 1.00 0.00 H ATOM 1903 HB3 LYS A 127 11.607 4.010 20.043 1.00 0.00 H ATOM 1904 HG2 LYS A 127 10.380 5.938 20.828 1.00 0.00 H ATOM 1905 HG3 LYS A 127 11.311 7.009 19.755 1.00 0.00 H ATOM 1906 HD2 LYS A 127 10.424 5.515 17.835 1.00 0.00 H ATOM 1907 HD3 LYS A 127 9.243 4.927 19.028 1.00 0.00 H ATOM 1908 HE2 LYS A 127 8.208 6.676 17.775 1.00 0.00 H ATOM 1909 HE3 LYS A 127 9.608 7.751 18.002 1.00 0.00 H ATOM 1910 HZ1 LYS A 127 7.737 6.856 20.142 1.00 0.00 H ATOM 1911 HZ2 LYS A 127 9.075 7.882 20.358 1.00 0.00 H ATOM 1912 HZ3 LYS A 127 7.759 8.389 19.410 1.00 0.00 H ATOM 1913 H LYS A 127 13.555 7.059 19.740 1.00 0.00 H ATOM 1914 N ILE A 128 15.034 4.149 19.805 1.00 28.95 N ATOM 1915 CA ILE A 128 16.023 3.077 19.619 1.00 31.47 C ATOM 1916 C ILE A 128 17.159 3.121 20.636 1.00 31.31 C ATOM 1917 O ILE A 128 17.699 2.083 20.995 1.00 33.46 O ATOM 1918 CB ILE A 128 16.653 3.085 18.187 1.00 31.69 C ATOM 1919 CG1 ILE A 128 15.588 3.205 17.107 1.00 32.42 C ATOM 1920 CG2 ILE A 128 17.371 1.779 17.929 1.00 34.23 C ATOM 1921 CD1 ILE A 128 14.639 2.043 17.095 1.00 36.29 C ATOM 1922 HA ILE A 128 15.452 2.160 19.766 1.00 0.00 H ATOM 1923 HB ILE A 128 17.331 3.938 18.149 1.00 0.00 H ATOM 1924 HG12 ILE A 128 15.019 4.118 17.279 1.00 0.00 H ATOM 1925 HG13 ILE A 128 16.081 3.263 16.136 1.00 0.00 H ATOM 1926 HD11 ILE A 128 15.195 1.123 16.914 1.00 0.00 H ATOM 1927 HD12 ILE A 128 14.132 1.980 18.058 1.00 0.00 H ATOM 1928 HD13 ILE A 128 13.903 2.185 16.304 1.00 0.00 H ATOM 1929 HG21 ILE A 128 18.162 1.648 18.668 1.00 0.00 H ATOM 1930 HG22 ILE A 128 16.662 0.955 18.004 1.00 0.00 H ATOM 1931 HG23 ILE A 128 17.805 1.796 16.929 1.00 0.00 H ATOM 1932 H ILE A 128 15.034 4.958 19.151 1.00 0.00 H ATOM 1933 N ILE A 129 17.583 4.327 21.003 1.00 35.15 N ATOM 1934 CA ILE A 129 18.656 4.536 21.973 1.00 40.84 C ATOM 1935 C ILE A 129 18.209 4.113 23.370 1.00 45.92 C ATOM 1936 O ILE A 129 19.037 3.781 24.221 1.00 47.93 O ATOM 1937 CB ILE A 129 19.029 6.012 22.072 1.00 39.10 C ATOM 1938 CG1 ILE A 129 19.607 6.507 20.764 1.00 41.98 C ATOM 1939 CG2 ILE A 129 20.053 6.238 23.155 1.00 42.59 C ATOM 1940 CD1 ILE A 129 19.874 7.999 20.814 1.00 46.22 C ATOM 1941 HA ILE A 129 19.504 3.943 21.630 1.00 0.00 H ATOM 1942 HB ILE A 129 18.117 6.560 22.308 1.00 0.00 H ATOM 1943 HG12 ILE A 129 20.543 5.984 20.568 1.00 0.00 H ATOM 1944 HG13 ILE A 129 18.900 6.298 19.961 1.00 0.00 H ATOM 1945 HD11 ILE A 129 18.940 8.528 21.005 1.00 0.00 H ATOM 1946 HD12 ILE A 129 20.584 8.213 21.613 1.00 0.00 H ATOM 1947 HD13 ILE A 129 20.289 8.325 19.860 1.00 0.00 H ATOM 1948 HG21 ILE A 129 19.645 5.915 24.113 1.00 0.00 H ATOM 1949 HG22 ILE A 129 20.952 5.664 22.929 1.00 0.00 H ATOM 1950 HG23 ILE A 129 20.301 7.298 23.204 1.00 0.00 H ATOM 1951 H ILE A 129 17.129 5.161 20.579 1.00 0.00 H ATOM 1952 N HIS A 130 16.906 4.211 23.622 1.00 51.18 N ATOM 1953 CA HIS A 130 16.338 3.857 24.916 1.00 54.45 C ATOM 1954 C HIS A 130 15.395 2.676 24.720 1.00 55.80 C ATOM 1955 O HIS A 130 14.240 2.764 25.197 1.00 58.99 O ATOM 1956 CB HIS A 130 15.567 5.049 25.514 1.00 57.16 C ATOM 1957 CG HIS A 130 16.287 6.360 25.403 1.00 61.08 C ATOM 1958 ND1 HIS A 130 15.783 7.426 24.683 1.00 59.79 N ATOM 1959 CD2 HIS A 130 17.482 6.771 25.893 1.00 61.60 C ATOM 1960 CE1 HIS A 130 16.638 8.432 24.729 1.00 61.77 C ATOM 1961 NE2 HIS A 130 17.678 8.062 25.457 1.00 63.42 N ATOM 1962 HA HIS A 130 17.139 3.591 25.606 1.00 0.00 H ATOM 1963 HB2 HIS A 130 14.613 5.136 24.993 1.00 0.00 H ATOM 1964 HB3 HIS A 130 15.386 4.846 26.569 1.00 0.00 H ATOM 1965 HD2 HIS A 130 18.161 6.188 26.516 1.00 0.00 H ATOM 1966 HE1 HIS A 130 16.508 9.402 24.249 1.00 0.00 H ATOM 1967 H HIS A 130 16.273 4.551 22.871 1.00 0.00 H TER 1968 HIS A 130 HETATM 1969 O HOH 1 29.636 16.859 11.641 1.00 22.75 O HETATM 1970 O HOH 2 16.009 0.717 5.693 1.00 15.87 O HETATM 1971 O HOH 3 29.055 11.302 6.034 1.00 15.87 O HETATM 1972 O HOH 4 27.385 18.587 11.375 1.00 15.77 O HETATM 1973 O HOH 5 9.702 19.069 14.766 1.00 19.09 O HETATM 1974 O HOH 6 29.837 13.870 19.274 1.00 14.94 O HETATM 1975 O HOH 7 20.748 20.480 18.958 1.00 25.18 O HETATM 1976 O HOH 8 28.296 21.935 12.937 1.00 20.22 O HETATM 1977 O HOH 9 33.135 8.566 4.453 1.00 33.60 O HETATM 1978 O HOH 10 14.460 4.124 0.717 1.00 27.21 O HETATM 1979 O HOH 11 27.042 12.450 7.789 1.00 31.22 O HETATM 1980 O HOH 12 22.565 -2.803 6.791 1.00 19.63 O HETATM 1981 O HOH 13 24.808 26.682 7.715 1.00 25.47 O HETATM 1982 O HOH 14 19.692 16.607 -5.075 1.00 29.31 O HETATM 1983 O HOH 15 30.012 19.175 13.663 1.00 36.16 O HETATM 1984 O HOH 16 19.676 -4.152 7.691 1.00 26.49 O HETATM 1985 O HOH 17 5.683 7.220 8.942 1.00 28.04 O HETATM 1986 O HOH 18 11.092 9.487 5.452 1.00 38.59 O HETATM 1987 O HOH 19 27.667 24.633 1.341 1.00 31.18 O HETATM 1988 O HOH 20 21.654 13.562 -1.404 1.00 26.52 O HETATM 1989 O HOH 21 35.180 4.145 17.750 1.00 36.99 O HETATM 1990 O HOH 22 35.479 15.788 -0.253 1.00 32.21 O HETATM 1991 O HOH 23 37.275 6.963 -2.255 1.00 55.64 O HETATM 1992 O HOH 24 27.818 8.648 -0.682 1.00 23.02 O HETATM 1993 O HOH 25 31.859 17.354 17.578 1.00 35.06 O HETATM 1994 O HOH 26 32.385 3.266 18.300 1.00 43.72 O HETATM 1995 O HOH 27 30.195 13.298 12.143 1.00 31.32 O HETATM 1996 O HOH 28 34.135 16.639 -2.656 1.00 76.00 O HETATM 1997 O HOH 29 30.535 2.632 20.334 1.00 45.22 O HETATM 1998 O HOH 30 10.949 11.534 7.992 1.00 39.86 O HETATM 1999 O HOH 31 24.326 20.100 -1.085 1.00 23.27 O HETATM 2000 O HOH 32 11.284 12.624 23.369 1.00 26.37 O HETATM 2001 O HOH 33 1.802 -0.170 10.698 1.00 30.17 O HETATM 2002 O HOH 34 17.722 -6.830 7.833 1.00 37.31 O HETATM 2003 O HOH 35 28.379 21.641 17.233 1.00 23.79 O HETATM 2004 O HOH 36 12.687 29.764 15.203 1.00 51.97 O HETATM 2005 O HOH 37 16.574 18.346 23.233 1.00 37.80 O HETATM 2006 O HOH 38 11.344 9.943 23.792 1.00 47.91 O HETATM 2007 O HOH 39 29.555 3.635 14.700 1.00 28.49 O HETATM 2008 O HOH 40 6.920 6.935 6.400 1.00 28.98 O HETATM 2009 O HOH 41 18.547 12.116 23.580 1.00 28.79 O HETATM 2010 O HOH 42 14.018 31.374 12.868 1.00 62.63 O HETATM 2011 O HOH 43 28.381 18.078 20.959 1.00 49.97 O HETATM 2012 O HOH 44 18.546 14.346 25.133 1.00 35.64 O HETATM 2013 O HOH 45 20.904 30.267 18.228 1.00 52.18 O HETATM 2014 O HOH 46 28.884 26.762 -0.379 1.00 45.59 O HETATM 2015 O HOH 47 21.999 -0.941 18.588 1.00 51.53 O HETATM 2016 O HOH 48 25.309 -2.851 17.194 1.00 59.93 O HETATM 2017 O HOH 49 13.851 13.508 1.768 1.00 46.34 O HETATM 2018 O HOH 50 22.900 4.354 22.027 1.00 21.26 O HETATM 2019 O HOH 51 10.572 8.639 21.475 1.00 40.93 O HETATM 2020 O HOH 52 10.295 26.189 15.774 1.00 38.00 O HETATM 2021 O HOH 53 13.072 0.317 3.037 1.00 52.81 O HETATM 2022 O HOH 54 13.380 9.242 1.090 1.00 38.62 O HETATM 2023 O HOH 55 22.382 -1.448 22.153 1.00 73.40 O HETATM 2024 O HOH 56 17.054 9.607 -2.546 1.00 56.98 O HETATM 2025 O HOH 57 17.383 -0.956 19.674 1.00 50.68 O HETATM 2026 O HOH 58 27.328 -5.255 20.213 1.00 58.96 O HETATM 2027 O HOH 59 37.065 15.902 -3.169 1.00 58.30 O HETATM 2028 O HOH 60 39.001 3.914 1.626 1.00 43.84 O HETATM 2029 O HOH 61 22.862 22.956 25.205 1.00 43.73 O HETATM 2030 O HOH 62 35.508 19.113 -2.192 1.00 60.33 O HETATM 2031 O HOH 63 15.830 22.654 4.144 1.00 56.10 O HETATM 2032 O HOH 64 12.474 2.273 1.062 1.00 53.50 O HETATM 2033 O HOH 65 12.417 22.729 3.607 1.00 41.24 O HETATM 2034 O HOH 66 35.431 7.920 15.039 1.00 59.06 O HETATM 2035 O HOH 67 30.538 25.675 1.615 1.00 48.41 O HETATM 2036 O HOH 68 8.251 9.205 5.030 1.00 36.11 O HETATM 2037 O HOH 69 9.231 2.222 5.788 1.00 45.79 O HETATM 2038 O HOH 70 31.311 21.504 13.193 1.00 63.44 O HETATM 2039 O HOH 71 15.982 25.755 5.006 1.00 47.85 O HETATM 2040 O HOH 72 29.220 10.570 11.261 1.00 41.84 O HETATM 2041 O HOH 73 34.526 23.282 2.670 1.00 43.88 O HETATM 2042 O HOH 74 23.268 31.524 11.518 1.00 38.16 O HETATM 2043 O HOH 75 34.751 19.513 11.683 1.00 35.17 O HETATM 2044 O HOH 76 25.829 25.011 23.594 1.00 44.14 O HETATM 2045 O HOH 77 10.951 0.050 18.297 1.00 57.16 O HETATM 2046 O HOH 78 23.926 22.557 -1.106 1.00 48.52 O HETATM 2047 O HOH 79 19.844 -1.211 22.241 1.00 69.13 O HETATM 2048 O HOH 80 27.331 24.882 -1.638 1.00 46.22 O HETATM 2049 O HOH 81 18.033 30.657 16.564 1.00 48.89 O HETATM 2050 O HOH 82 18.897 34.194 22.321 1.00 62.96 O HETATM 2051 O HOH 83 22.193 5.720 25.588 1.00 50.81 O HETATM 2052 O HOH 84 38.516 10.979 -3.871 1.00 38.88 O HETATM 2053 O HOH 85 13.114 7.878 24.595 1.00 52.34 O HETATM 2054 O HOH 86 7.128 16.236 5.759 1.00 41.45 O HETATM 2055 O HOH 87 29.700 1.315 12.798 1.00 68.10 O HETATM 2056 O HOH 88 25.094 -2.674 7.244 1.00 51.85 O HETATM 2057 O HOH 89 30.766 24.219 16.002 1.00 66.31 O HETATM 2058 O HOH 90 28.105 1.551 23.168 1.00 61.42 O HETATM 2059 O HOH 91 5.245 -4.668 15.391 1.00 50.96 O HETATM 2060 O HOH 92 19.878 10.423 25.757 1.00 57.13 O HETATM 2061 O HOH 93 37.334 16.093 13.464 1.00 67.93 O HETATM 2062 O HOH 94 15.132 -5.631 13.556 1.00 41.07 O HETATM 2063 O HOH 95 34.579 16.809 11.604 1.00 43.36 O HETATM 2064 O HOH 96 34.175 22.869 0.071 1.00 51.80 O HETATM 2065 O HOH 97 32.805 26.287 3.018 1.00 58.01 O HETATM 2066 O HOH 98 33.114 13.087 11.615 1.00 32.87 O HETATM 2067 O HOH 99 33.554 8.825 8.108 1.00 61.93 O HETATM 2068 O HOH 100 15.354 11.165 -1.232 1.00 50.98 O HETATM 2069 O HOH 101 37.844 16.410 16.422 1.00 75.65 O HETATM 2070 O HOH 102 17.548 26.412 2.681 1.00 62.23 O HETATM 2071 O HOH 103 17.787 -0.653 23.641 1.00 62.80 O HETATM 2072 O HOH 104 12.178 13.046 4.301 1.00 55.02 O HETATM 2073 O HOH 105 15.997 30.282 14.988 1.00 41.86 O HETATM 2074 O HOH 106 15.701 -4.120 18.005 1.00 66.96 O HETATM 2075 O HOH 107 32.647 1.565 14.118 1.00 82.74 O HETATM 2076 O HOH 108 34.170 -0.645 3.388 1.00 59.20 O HETATM 2077 O HOH 109 9.981 -1.626 5.882 1.00 68.18 O HETATM 2078 O HOH 110 28.226 22.561 21.338 1.00 53.97 O HETATM 2079 C1 I A 3 33.728 18.040 3.967 1.00 0.15 C HETATM 2080 O1 I A 3 34.677 18.202 2.840 1.00 -0.27 O HETATM 2081 P1 I A 3 35.011 19.612 2.190 1.00 0.20 P HETATM 2082 O13 I A 3 33.795 19.825 1.415 1.00 -0.55 O HETATM 2083 O12 I A 3 35.108 20.522 3.363 1.00 -0.55 O HETATM 2084 O11 I A 3 36.281 19.427 1.443 1.00 -0.55 O HETATM 2085 C6 I A 3 33.417 16.547 3.994 1.00 0.12 C HETATM 2086 C5 I A 3 32.371 16.278 5.067 1.00 0.15 C HETATM 2087 C4 I A 3 32.880 16.741 6.442 1.00 0.15 C HETATM 2088 C3 I A 3 33.200 18.234 6.408 1.00 0.12 C HETATM 2089 C2 I A 3 34.238 18.504 5.338 1.00 0.12 C HETATM 2090 O2 I A 3 35.447 17.842 5.674 1.00 -0.39 O HETATM 2091 H7 I A 3 35.745 18.142 6.524 1.00 0.21 H HETATM 2092 H2 I A 3 34.428 19.587 5.293 1.00 0.07 H HETATM 2093 O3 I A 3 33.712 18.641 7.659 1.00 -0.39 O HETATM 2094 H8 I A 3 33.065 18.474 8.334 1.00 0.21 H HETATM 2095 H3 I A 3 32.284 18.800 6.184 1.00 0.07 H HETATM 2096 O4 I A 3 31.921 16.482 7.552 1.00 -0.27 O HETATM 2097 P4 I A 3 32.260 15.794 8.967 1.00 0.20 P HETATM 2098 O43 I A 3 31.004 15.333 9.614 1.00 -0.55 O HETATM 2099 O42 I A 3 32.915 16.882 9.705 1.00 -0.55 O HETATM 2100 O41 I A 3 33.200 14.745 8.487 1.00 -0.55 O HETATM 2101 H4 I A 3 33.806 16.188 6.659 1.00 0.07 H HETATM 2102 O5 I A 3 32.170 14.832 5.098 1.00 -0.27 O HETATM 2103 P5 I A 3 30.940 14.040 4.445 1.00 0.20 P HETATM 2104 O53 I A 3 31.187 14.276 3.018 1.00 -0.55 O HETATM 2105 O52 I A 3 29.750 14.735 5.020 1.00 -0.55 O HETATM 2106 O51 I A 3 31.221 12.666 4.928 1.00 -0.55 O HETATM 2107 H5 I A 3 31.431 16.795 4.823 1.00 0.07 H HETATM 2108 O6 I A 3 32.965 16.120 2.715 1.00 -0.39 O HETATM 2109 H9 I A 3 32.788 15.187 2.738 1.00 0.21 H HETATM 2110 H6 I A 3 34.334 15.993 4.245 1.00 0.07 H HETATM 2111 H1 I A 3 32.813 18.608 3.743 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2079 2080 2085 2089 2111 CONECT 2080 2079 2081 CONECT 2081 2080 2082 2083 2084 CONECT 2082 2081 CONECT 2083 2081 CONECT 2084 2081 CONECT 2085 2079 2086 2108 2110 CONECT 2086 2085 2087 2102 2107 CONECT 2087 2086 2088 2096 2101 CONECT 2088 2087 2089 2093 2095 CONECT 2089 2079 2088 2090 2092 CONECT 2090 2089 2091 CONECT 2091 2090 CONECT 2092 2089 CONECT 2093 2088 2094 CONECT 2094 2093 CONECT 2095 2088 CONECT 2096 2087 2097 CONECT 2097 2096 2098 2099 2100 CONECT 2098 2097 CONECT 2099 2097 CONECT 2100 2097 CONECT 2101 2087 CONECT 2102 2086 2103 CONECT 2103 2102 2104 2105 2106 CONECT 2104 2103 CONECT 2105 2103 CONECT 2106 2103 CONECT 2107 2086 CONECT 2108 2085 2109 CONECT 2109 2108 CONECT 2110 2085 CONECT 2111 2079 MASTER 0 0 0 0 0 0 0 0 2110 1 37 10 END
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Structure:
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Protein
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
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Ligand Name
1btn
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PDBbind
I3P
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Entry Information
PDB ID
1mai
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
phospholipase C delta-1
Ligand Name
I3P
EC.Number
E.C.3.1.4.11
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=210nM
Release Year
1996
Protein/NA Sequence
Check fasta file
Primary Reference
Cell v83 pp. 1037-46, 1995
Ligand Properties
Formula
C
6
H
1
8
O
1
5
P
3
Molecular Weight
423.119
Exact Mass
422.986
No. of atoms
42
No. of bonds
42
Polar Surface Area
311.22
LOGP Value
-7.48 (
Computed with XLOGP3
)
-4.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 1
Canonical SMILES
O[C@@H]1[C@@H](OP(O)(O)O)[C@H](OP(O)(O)O)[C@H]([C@@H]([C@@H]1O)OP(O)(O)O)O
InChI String
InChI=1S/C6H21O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-18,22-24H/t1-,2+,3+,4-,5-,6-/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):
P10688
Entrez Gene ID
NCBI Entrez Gene ID:
24655
ASD
Information of known allosteric effects of PDB entries
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