Browse entries in the PDBbind-CN Database
HEADER 2GTV_COMPLEX COMPND 2GTV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 X 104 MET ILE GLU LYS LEU ALA GLU ILE ARG LYS LYS ILE ASP SEQRES 2 X 104 GLU ILE ASP ASN LYS ILE LEU LYS ALA ARG TRP PRO TRP SEQRES 3 X 104 ALA GLU LYS LEU ILE ALA GLU ARG ASN SER LEU ALA LYS SEQRES 4 X 104 ASP VAL ALA GLU ILE LYS ASN GLN LEU GLY ILE PRO ILE SEQRES 5 X 104 ASN ASP PRO GLU ARG GLU LYS TYR ILE TYR ASP ARG ILE SEQRES 6 X 104 ARG LYS LEU CYS LYS GLU HIS ASN VAL ASP GLU ASN ILE SEQRES 7 X 104 GLY ILE LYS ILE PHE GLN ARG LEU ILE GLU HIS ASN LYS SEQRES 8 X 104 ALA LEU GLN LYS GLN TYR LEU GLU GLU THR LEU GLU HIS HET TSA A 105 26 ATOM 1 N MET X 1 -16.822 -11.272 -4.200 1.00 5.23 N ATOM 2 CA MET X 1 -17.488 -12.602 -4.105 1.00 13.21 C ATOM 3 C MET X 1 -16.722 -13.472 -3.102 1.00 1.52 C ATOM 4 O MET X 1 -17.304 -14.234 -2.354 1.00 71.25 O ATOM 5 CB MET X 1 -17.481 -13.276 -5.482 1.00 34.01 C ATOM 6 CG MET X 1 -18.327 -12.456 -6.468 1.00 33.13 C ATOM 7 SD MET X 1 -20.059 -12.470 -5.938 1.00 63.13 S ATOM 8 CE MET X 1 -20.525 -14.055 -6.675 1.00 62.43 C ATOM 9 HA MET X 1 -18.518 -12.478 -3.772 1.00 0.00 H ATOM 10 HB2 MET X 1 -16.457 -13.339 -5.849 1.00 0.00 H ATOM 11 HB3 MET X 1 -17.897 -14.280 -5.396 1.00 0.00 H ATOM 12 HG2 MET X 1 -18.248 -12.892 -7.464 1.00 0.00 H ATOM 13 HG3 MET X 1 -17.963 -11.429 -6.492 1.00 0.00 H ATOM 14 HE1 MET X 1 -20.373 -14.011 -7.754 1.00 0.00 H ATOM 15 HE2 MET X 1 -19.907 -14.847 -6.252 1.00 0.00 H ATOM 16 HE3 MET X 1 -21.575 -14.259 -6.462 1.00 0.00 H ATOM 17 HN3 MET X 1 -15.841 -11.399 -4.522 1.00 0.00 H ATOM 18 HN2 MET X 1 -16.825 -10.816 -3.265 1.00 0.00 H ATOM 19 HN1 MET X 1 -17.337 -10.676 -4.879 1.00 0.00 H ATOM 20 N ILE X 2 -15.422 -13.356 -3.078 1.00 52.44 N ATOM 21 CA ILE X 2 -14.615 -14.168 -2.120 1.00 43.30 C ATOM 22 C ILE X 2 -13.486 -13.302 -1.549 1.00 61.41 C ATOM 23 O ILE X 2 -13.460 -12.100 -1.730 1.00 51.22 O ATOM 24 CB ILE X 2 -14.018 -15.372 -2.856 1.00 13.45 C ATOM 25 CG1 ILE X 2 -13.194 -14.880 -4.052 1.00 22.45 C ATOM 26 CG2 ILE X 2 -15.141 -16.283 -3.351 1.00 4.24 C ATOM 27 CD1 ILE X 2 -12.516 -16.069 -4.737 1.00 43.01 C ATOM 28 HA ILE X 2 -15.250 -14.519 -1.307 1.00 0.00 H ATOM 29 HB ILE X 2 -13.376 -15.930 -2.174 1.00 0.00 H ATOM 30 HG12 ILE X 2 -13.851 -14.378 -4.763 1.00 0.00 H ATOM 31 HG13 ILE X 2 -12.434 -14.180 -3.705 1.00 0.00 H ATOM 32 HD11 ILE X 2 -11.858 -16.570 -4.026 1.00 0.00 H ATOM 33 HD12 ILE X 2 -13.276 -16.768 -5.085 1.00 0.00 H ATOM 34 HD13 ILE X 2 -11.932 -15.713 -5.586 1.00 0.00 H ATOM 35 HG21 ILE X 2 -15.725 -16.633 -2.500 1.00 0.00 H ATOM 36 HG22 ILE X 2 -15.785 -15.726 -4.031 1.00 0.00 H ATOM 37 HG23 ILE X 2 -14.710 -17.137 -3.873 1.00 0.00 H ATOM 38 H ILE X 2 -14.948 -12.697 -3.728 1.00 0.00 H ATOM 39 N GLU X 3 -12.551 -13.905 -0.863 1.00 4.02 N ATOM 40 CA GLU X 3 -11.409 -13.125 -0.295 1.00 64.43 C ATOM 41 C GLU X 3 -10.770 -12.276 -1.398 1.00 44.52 C ATOM 42 O GLU X 3 -9.565 -12.237 -1.547 1.00 45.41 O ATOM 43 CB GLU X 3 -10.365 -14.095 0.266 1.00 74.44 C ATOM 44 CG GLU X 3 -9.990 -15.128 -0.800 1.00 61.30 C ATOM 45 CD GLU X 3 -8.923 -16.074 -0.249 1.00 44.21 C ATOM 46 OE1 GLU X 3 -8.421 -15.803 0.829 1.00 32.24 O ATOM 47 OE2 GLU X 3 -8.626 -17.052 -0.913 1.00 5.25 O ATOM 48 HA GLU X 3 -11.772 -12.474 0.500 1.00 0.00 H ATOM 49 HB2 GLU X 3 -9.475 -13.539 0.560 1.00 0.00 H ATOM 50 HB3 GLU X 3 -10.776 -14.606 1.136 1.00 0.00 H ATOM 51 HG2 GLU X 3 -10.875 -15.701 -1.076 1.00 0.00 H ATOM 52 HG3 GLU X 3 -9.601 -14.616 -1.680 1.00 0.00 H ATOM 53 H GLU X 3 -12.602 -14.933 -0.712 1.00 0.00 H ATOM 54 N LYS X 4 -11.573 -11.596 -2.172 1.00 52.15 N ATOM 55 CA LYS X 4 -11.025 -10.718 -3.247 1.00 51.42 C ATOM 56 C LYS X 4 -10.193 -9.586 -2.622 1.00 14.52 C ATOM 57 O LYS X 4 -9.157 -9.210 -3.130 1.00 43.43 O ATOM 58 CB LYS X 4 -12.190 -10.122 -4.051 1.00 63.21 C ATOM 59 CG LYS X 4 -12.893 -11.232 -4.844 1.00 64.34 C ATOM 60 CD LYS X 4 -14.118 -10.655 -5.563 1.00 64.45 C ATOM 61 CE LYS X 4 -13.671 -9.895 -6.816 1.00 62.12 C ATOM 62 NZ LYS X 4 -14.861 -9.583 -7.662 1.00 55.51 N ATOM 63 HA LYS X 4 -10.385 -11.304 -3.907 1.00 0.00 H ATOM 64 HB2 LYS X 4 -12.902 -9.658 -3.368 1.00 0.00 H ATOM 65 HB3 LYS X 4 -11.807 -9.370 -4.741 1.00 0.00 H ATOM 66 HG2 LYS X 4 -12.203 -11.646 -5.579 1.00 0.00 H ATOM 67 HG3 LYS X 4 -13.211 -12.020 -4.161 1.00 0.00 H ATOM 68 HD2 LYS X 4 -14.786 -11.467 -5.850 1.00 0.00 H ATOM 69 HD3 LYS X 4 -14.644 -9.974 -4.894 1.00 0.00 H ATOM 70 HE2 LYS X 4 -12.973 -10.510 -7.384 1.00 0.00 H ATOM 71 HE3 LYS X 4 -13.181 -8.967 -6.522 1.00 0.00 H ATOM 72 HZ1 LYS X 4 -15.328 -10.469 -7.942 1.00 0.00 H ATOM 73 HZ2 LYS X 4 -15.526 -8.996 -7.119 1.00 0.00 H ATOM 74 HZ3 LYS X 4 -14.555 -9.067 -8.512 1.00 0.00 H ATOM 75 H LYS X 4 -12.602 -11.667 -2.038 1.00 0.00 H ATOM 76 N LEU X 5 -10.649 -9.044 -1.523 1.00 23.41 N ATOM 77 CA LEU X 5 -9.888 -7.957 -0.833 1.00 62.04 C ATOM 78 C LEU X 5 -8.505 -8.473 -0.429 1.00 43.34 C ATOM 79 O LEU X 5 -7.535 -7.741 -0.409 1.00 44.02 O ATOM 80 CB LEU X 5 -10.671 -7.544 0.419 1.00 62.32 C ATOM 81 CG LEU X 5 -10.251 -6.147 0.889 1.00 22.32 C ATOM 82 CD1 LEU X 5 -11.466 -5.436 1.489 1.00 51.13 C ATOM 83 CD2 LEU X 5 -9.169 -6.273 1.965 1.00 34.41 C ATOM 84 HA LEU X 5 -9.764 -7.103 -1.499 1.00 0.00 H ATOM 85 HB2 LEU X 5 -11.736 -7.538 0.189 1.00 0.00 H ATOM 86 HB3 LEU X 5 -10.477 -8.262 1.215 1.00 0.00 H ATOM 87 HG LEU X 5 -9.863 -5.579 0.043 1.00 0.00 H ATOM 88 HD21 LEU X 5 -9.563 -6.838 2.810 1.00 0.00 H ATOM 89 HD22 LEU X 5 -8.305 -6.792 1.550 1.00 0.00 H ATOM 90 HD23 LEU X 5 -8.872 -5.279 2.298 1.00 0.00 H ATOM 91 HD11 LEU X 5 -12.246 -5.351 0.732 1.00 0.00 H ATOM 92 HD12 LEU X 5 -11.841 -6.012 2.335 1.00 0.00 H ATOM 93 HD13 LEU X 5 -11.174 -4.441 1.825 1.00 0.00 H ATOM 94 H LEU X 5 -11.551 -9.373 -1.124 1.00 0.00 H ATOM 95 N ALA X 6 -8.414 -9.732 -0.099 1.00 2.22 N ATOM 96 CA ALA X 6 -7.100 -10.318 0.295 1.00 51.22 C ATOM 97 C ALA X 6 -6.114 -10.275 -0.879 1.00 72.23 C ATOM 98 O ALA X 6 -5.010 -9.788 -0.752 1.00 52.14 O ATOM 99 CB ALA X 6 -7.307 -11.773 0.719 1.00 71.23 C ATOM 100 HA ALA X 6 -6.690 -9.736 1.121 1.00 0.00 H ATOM 101 HB1 ALA X 6 -7.994 -11.809 1.565 1.00 0.00 H ATOM 102 HB2 ALA X 6 -7.725 -12.337 -0.115 1.00 0.00 H ATOM 103 HB3 ALA X 6 -6.349 -12.206 1.008 1.00 0.00 H ATOM 104 H ALA X 6 -9.264 -10.331 -0.111 1.00 0.00 H ATOM 105 N GLU X 7 -6.497 -10.794 -2.015 1.00 41.10 N ATOM 106 CA GLU X 7 -5.579 -10.770 -3.191 1.00 41.35 C ATOM 107 C GLU X 7 -5.169 -9.327 -3.504 1.00 43.42 C ATOM 108 O GLU X 7 -4.090 -9.074 -4.002 1.00 11.00 O ATOM 109 CB GLU X 7 -6.290 -11.367 -4.406 1.00 33.42 C ATOM 110 CG GLU X 7 -6.574 -12.852 -4.160 1.00 64.12 C ATOM 111 CD GLU X 7 -5.255 -13.620 -4.069 1.00 4.53 C ATOM 112 OE1 GLU X 7 -4.441 -13.469 -4.965 1.00 73.02 O ATOM 113 OE2 GLU X 7 -5.080 -14.347 -3.106 1.00 54.31 O ATOM 114 HA GLU X 7 -4.689 -11.356 -2.960 1.00 0.00 H ATOM 115 HB2 GLU X 7 -7.230 -10.840 -4.571 1.00 0.00 H ATOM 116 HB3 GLU X 7 -5.656 -11.260 -5.286 1.00 0.00 H ATOM 117 HG2 GLU X 7 -7.125 -12.966 -3.227 1.00 0.00 H ATOM 118 HG3 GLU X 7 -7.169 -13.249 -4.983 1.00 0.00 H ATOM 119 H GLU X 7 -7.440 -11.223 -2.100 1.00 0.00 H ATOM 120 N ILE X 8 -6.022 -8.380 -3.222 1.00 32.53 N ATOM 121 CA ILE X 8 -5.677 -6.954 -3.494 1.00 75.11 C ATOM 122 C ILE X 8 -4.479 -6.535 -2.632 1.00 54.43 C ATOM 123 O ILE X 8 -3.538 -5.934 -3.111 1.00 24.33 O ATOM 124 CB ILE X 8 -6.871 -6.068 -3.149 1.00 31.11 C ATOM 125 CG1 ILE X 8 -7.975 -6.258 -4.194 1.00 1.40 C ATOM 126 CG2 ILE X 8 -6.429 -4.605 -3.131 1.00 51.31 C ATOM 127 CD1 ILE X 8 -9.248 -5.544 -3.731 1.00 75.31 C ATOM 128 HA ILE X 8 -5.424 -6.843 -4.548 1.00 0.00 H ATOM 129 HB ILE X 8 -7.255 -6.345 -2.167 1.00 0.00 H ATOM 130 HG12 ILE X 8 -7.650 -5.839 -5.146 1.00 0.00 H ATOM 131 HG13 ILE X 8 -8.179 -7.322 -4.317 1.00 0.00 H ATOM 132 HD11 ILE X 8 -9.573 -5.964 -2.779 1.00 0.00 H ATOM 133 HD12 ILE X 8 -9.043 -4.480 -3.609 1.00 0.00 H ATOM 134 HD13 ILE X 8 -10.031 -5.681 -4.476 1.00 0.00 H ATOM 135 HG21 ILE X 8 -5.648 -4.472 -2.383 1.00 0.00 H ATOM 136 HG22 ILE X 8 -6.043 -4.331 -4.113 1.00 0.00 H ATOM 137 HG23 ILE X 8 -7.282 -3.972 -2.885 1.00 0.00 H ATOM 138 H ILE X 8 -6.945 -8.620 -2.807 1.00 0.00 H ATOM 139 N ARG X 9 -4.510 -6.844 -1.362 1.00 10.22 N ATOM 140 CA ARG X 9 -3.382 -6.452 -0.471 1.00 52.14 C ATOM 141 C ARG X 9 -2.121 -7.235 -0.876 1.00 22.52 C ATOM 142 O ARG X 9 -1.007 -6.818 -0.615 1.00 14.14 O ATOM 143 CB ARG X 9 -3.762 -6.753 0.985 1.00 14.43 C ATOM 144 CG ARG X 9 -4.115 -5.439 1.702 1.00 41.23 C ATOM 145 CD ARG X 9 -5.323 -4.794 1.023 1.00 21.02 C ATOM 146 NE ARG X 9 -6.057 -3.920 1.997 1.00 23.31 N ATOM 147 CZ ARG X 9 -6.565 -4.445 3.084 1.00 73.25 C ATOM 148 NH1 ARG X 9 -6.554 -5.742 3.244 1.00 14.21 N ATOM 149 NH2 ARG X 9 -7.153 -3.686 3.972 1.00 51.23 N ATOM 150 HA ARG X 9 -3.178 -5.386 -0.567 1.00 0.00 H ATOM 151 HB2 ARG X 9 -4.622 -7.422 1.006 1.00 0.00 H ATOM 152 HB3 ARG X 9 -2.921 -7.229 1.490 1.00 0.00 H ATOM 153 HG2 ARG X 9 -4.353 -5.647 2.745 1.00 0.00 H ATOM 154 HG3 ARG X 9 -3.265 -4.759 1.653 1.00 0.00 H ATOM 155 HD2 ARG X 9 -5.993 -5.574 0.662 1.00 0.00 H ATOM 156 HD3 ARG X 9 -4.984 -4.190 0.181 1.00 0.00 H ATOM 157 HE ARG X 9 -6.162 -2.902 1.810 1.00 0.00 H ATOM 158 HH12 ARG X 9 -6.956 -6.163 4.106 1.00 0.00 H ATOM 159 HH11 ARG X 9 -6.143 -6.353 2.510 1.00 0.00 H ATOM 160 HH22 ARG X 9 -7.555 -4.109 4.833 1.00 0.00 H ATOM 161 HH21 ARG X 9 -7.219 -2.660 3.817 1.00 0.00 H ATOM 162 H ARG X 9 -5.323 -7.364 -0.973 1.00 0.00 H ATOM 163 N LYS X 10 -2.287 -8.356 -1.530 1.00 74.42 N ATOM 164 CA LYS X 10 -1.104 -9.157 -1.957 1.00 44.25 C ATOM 165 C LYS X 10 -0.391 -8.397 -3.080 1.00 60.44 C ATOM 166 O LYS X 10 0.823 -8.362 -3.148 1.00 43.15 O ATOM 167 CB LYS X 10 -1.573 -10.531 -2.461 1.00 52.12 C ATOM 168 CG LYS X 10 -1.985 -11.412 -1.270 1.00 52.31 C ATOM 169 CD LYS X 10 -2.273 -12.835 -1.760 1.00 63.24 C ATOM 170 CE LYS X 10 -2.813 -13.681 -0.603 1.00 55.55 C ATOM 171 NZ LYS X 10 -1.715 -13.948 0.374 1.00 1.32 N ATOM 172 HA LYS X 10 -0.421 -9.307 -1.121 1.00 0.00 H ATOM 173 HB2 LYS X 10 -2.426 -10.400 -3.127 1.00 0.00 H ATOM 174 HB3 LYS X 10 -0.761 -11.014 -3.004 1.00 0.00 H ATOM 175 HG2 LYS X 10 -1.177 -11.436 -0.539 1.00 0.00 H ATOM 176 HG3 LYS X 10 -2.881 -10.999 -0.806 1.00 0.00 H ATOM 177 HD2 LYS X 10 -3.013 -12.800 -2.560 1.00 0.00 H ATOM 178 HD3 LYS X 10 -1.353 -13.282 -2.137 1.00 0.00 H ATOM 179 HE2 LYS X 10 -3.193 -14.626 -0.990 1.00 0.00 H ATOM 180 HE3 LYS X 10 -3.620 -13.143 -0.105 1.00 0.00 H ATOM 181 HZ1 LYS X 10 -0.946 -14.462 -0.102 1.00 0.00 H ATOM 182 HZ2 LYS X 10 -1.354 -13.045 0.743 1.00 0.00 H ATOM 183 HZ3 LYS X 10 -2.083 -14.522 1.159 1.00 0.00 H ATOM 184 H LYS X 10 -3.247 -8.689 -1.753 1.00 0.00 H ATOM 185 N LYS X 11 -1.143 -7.768 -3.950 1.00 31.31 N ATOM 186 CA LYS X 11 -0.516 -6.994 -5.060 1.00 5.35 C ATOM 187 C LYS X 11 0.259 -5.826 -4.448 1.00 41.13 C ATOM 188 O LYS X 11 1.352 -5.499 -4.867 1.00 14.40 O ATOM 189 CB LYS X 11 -1.602 -6.454 -6.008 1.00 45.03 C ATOM 190 CG LYS X 11 -2.670 -7.529 -6.251 1.00 21.24 C ATOM 191 CD LYS X 11 -3.058 -7.548 -7.734 1.00 30.51 C ATOM 192 CE LYS X 11 -3.377 -6.126 -8.202 1.00 11.34 C ATOM 193 NZ LYS X 11 -4.570 -6.150 -9.098 1.00 34.04 N ATOM 194 HA LYS X 11 0.153 -7.637 -5.631 1.00 0.00 H ATOM 195 HB2 LYS X 11 -2.068 -5.576 -5.560 1.00 0.00 H ATOM 196 HB3 LYS X 11 -1.146 -6.177 -6.958 1.00 0.00 H ATOM 197 HG2 LYS X 11 -2.274 -8.504 -5.968 1.00 0.00 H ATOM 198 HG3 LYS X 11 -3.551 -7.307 -5.649 1.00 0.00 H ATOM 199 HD2 LYS X 11 -2.230 -7.946 -8.320 1.00 0.00 H ATOM 200 HD3 LYS X 11 -3.935 -8.180 -7.871 1.00 0.00 H ATOM 201 HE2 LYS X 11 -2.523 -5.722 -8.746 1.00 0.00 H ATOM 202 HE3 LYS X 11 -3.585 -5.497 -7.337 1.00 0.00 H ATOM 203 HZ1 LYS X 11 -4.370 -6.750 -9.924 1.00 0.00 H ATOM 204 HZ2 LYS X 11 -5.385 -6.534 -8.578 1.00 0.00 H ATOM 205 HZ3 LYS X 11 -4.784 -5.183 -9.414 1.00 0.00 H ATOM 206 H LYS X 11 -2.179 -7.809 -3.866 1.00 0.00 H ATOM 207 N ILE X 12 -0.302 -5.204 -3.442 1.00 43.21 N ATOM 208 CA ILE X 12 0.387 -4.051 -2.795 1.00 73.24 C ATOM 209 C ILE X 12 1.723 -4.538 -2.236 1.00 14.44 C ATOM 210 O ILE X 12 2.711 -3.830 -2.238 1.00 50.33 O ATOM 211 CB ILE X 12 -0.481 -3.512 -1.650 1.00 33.34 C ATOM 212 CG1 ILE X 12 -1.905 -3.242 -2.150 1.00 32.35 C ATOM 213 CG2 ILE X 12 0.119 -2.208 -1.122 1.00 70.11 C ATOM 214 CD1 ILE X 12 -1.858 -2.402 -3.426 1.00 24.34 C ATOM 215 HA ILE X 12 0.552 -3.256 -3.522 1.00 0.00 H ATOM 216 HB ILE X 12 -0.513 -4.255 -0.853 1.00 0.00 H ATOM 217 HG12 ILE X 12 -2.401 -4.190 -2.359 1.00 0.00 H ATOM 218 HG13 ILE X 12 -2.462 -2.704 -1.383 1.00 0.00 H ATOM 219 HD11 ILE X 12 -1.364 -1.453 -3.217 1.00 0.00 H ATOM 220 HD12 ILE X 12 -1.303 -2.941 -4.194 1.00 0.00 H ATOM 221 HD13 ILE X 12 -2.874 -2.215 -3.774 1.00 0.00 H ATOM 222 HG21 ILE X 12 1.128 -2.396 -0.755 1.00 0.00 H ATOM 223 HG22 ILE X 12 0.155 -1.474 -1.927 1.00 0.00 H ATOM 224 HG23 ILE X 12 -0.500 -1.828 -0.309 1.00 0.00 H ATOM 225 H ILE X 12 -1.231 -5.515 -3.093 1.00 0.00 H ATOM 226 N ASP X 13 1.756 -5.756 -1.763 1.00 63.41 N ATOM 227 CA ASP X 13 3.015 -6.314 -1.197 1.00 21.14 C ATOM 228 C ASP X 13 4.090 -6.317 -2.286 1.00 62.13 C ATOM 229 O ASP X 13 5.234 -5.985 -2.046 1.00 30.12 O ATOM 230 CB ASP X 13 2.758 -7.747 -0.713 1.00 60.11 C ATOM 231 CG ASP X 13 1.881 -7.724 0.542 1.00 41.41 C ATOM 232 OD1 ASP X 13 1.655 -6.644 1.062 1.00 21.15 O ATOM 233 OD2 ASP X 13 1.455 -8.786 0.961 1.00 24.30 O ATOM 234 HA ASP X 13 3.351 -5.707 -0.357 1.00 0.00 H ATOM 235 HB2 ASP X 13 2.251 -8.309 -1.498 1.00 0.00 H ATOM 236 HB3 ASP X 13 3.709 -8.226 -0.481 1.00 0.00 H ATOM 237 H ASP X 13 0.896 -6.340 -1.782 1.00 0.00 H ATOM 238 N GLU X 14 3.726 -6.683 -3.486 1.00 22.41 N ATOM 239 CA GLU X 14 4.712 -6.676 -4.603 1.00 31.43 C ATOM 240 C GLU X 14 5.171 -5.238 -4.850 1.00 42.01 C ATOM 241 O GLU X 14 6.296 -4.990 -5.235 1.00 74.03 O ATOM 242 CB GLU X 14 4.053 -7.226 -5.873 1.00 74.51 C ATOM 243 CG GLU X 14 3.760 -8.721 -5.705 1.00 71.42 C ATOM 244 CD GLU X 14 3.052 -9.243 -6.958 1.00 4.10 C ATOM 245 OE1 GLU X 14 2.830 -8.454 -7.861 1.00 4.10 O ATOM 246 OE2 GLU X 14 2.745 -10.423 -6.994 1.00 40.13 O ATOM 247 HA GLU X 14 5.568 -7.299 -4.343 1.00 0.00 H ATOM 248 HB2 GLU X 14 3.120 -6.693 -6.056 1.00 0.00 H ATOM 249 HB3 GLU X 14 4.724 -7.082 -6.720 1.00 0.00 H ATOM 250 HG2 GLU X 14 4.696 -9.262 -5.563 1.00 0.00 H ATOM 251 HG3 GLU X 14 3.120 -8.871 -4.836 1.00 0.00 H ATOM 252 H GLU X 14 2.745 -6.980 -3.662 1.00 0.00 H ATOM 253 N ILE X 15 4.300 -4.287 -4.624 1.00 42.15 N ATOM 254 CA ILE X 15 4.678 -2.856 -4.826 1.00 70.32 C ATOM 255 C ILE X 15 5.446 -2.358 -3.596 1.00 52.54 C ATOM 256 O ILE X 15 6.276 -1.474 -3.683 1.00 64.24 O ATOM 257 CB ILE X 15 3.414 -2.004 -5.000 1.00 11.41 C ATOM 258 CG1 ILE X 15 2.887 -2.134 -6.433 1.00 53.34 C ATOM 259 CG2 ILE X 15 3.750 -0.540 -4.717 1.00 32.34 C ATOM 260 CD1 ILE X 15 2.055 -3.416 -6.557 1.00 64.11 C ATOM 261 HA ILE X 15 5.301 -2.772 -5.717 1.00 0.00 H ATOM 262 HB ILE X 15 2.650 -2.351 -4.305 1.00 0.00 H ATOM 263 HG12 ILE X 15 2.264 -1.272 -6.671 1.00 0.00 H ATOM 264 HG13 ILE X 15 3.727 -2.177 -7.127 1.00 0.00 H ATOM 265 HD11 ILE X 15 2.679 -4.277 -6.319 1.00 0.00 H ATOM 266 HD12 ILE X 15 1.216 -3.371 -5.863 1.00 0.00 H ATOM 267 HD13 ILE X 15 1.681 -3.507 -7.577 1.00 0.00 H ATOM 268 HG21 ILE X 15 4.118 -0.444 -3.696 1.00 0.00 H ATOM 269 HG22 ILE X 15 4.517 -0.203 -5.414 1.00 0.00 H ATOM 270 HG23 ILE X 15 2.853 0.068 -4.840 1.00 0.00 H ATOM 271 H ILE X 15 3.341 -4.529 -4.303 1.00 0.00 H ATOM 272 N ASP X 16 5.169 -2.923 -2.453 1.00 1.41 N ATOM 273 CA ASP X 16 5.868 -2.493 -1.210 1.00 14.24 C ATOM 274 C ASP X 16 7.375 -2.717 -1.365 1.00 21.12 C ATOM 275 O ASP X 16 8.173 -1.834 -1.119 1.00 55.21 O ATOM 276 CB ASP X 16 5.331 -3.313 -0.029 1.00 11.34 C ATOM 277 CG ASP X 16 3.910 -2.858 0.319 1.00 20.42 C ATOM 278 OD1 ASP X 16 3.472 -1.869 -0.244 1.00 52.11 O ATOM 279 OD2 ASP X 16 3.288 -3.510 1.137 1.00 21.51 O ATOM 280 HA ASP X 16 5.688 -1.433 -1.028 1.00 0.00 H ATOM 281 HB2 ASP X 16 5.317 -4.369 -0.299 1.00 0.00 H ATOM 282 HB3 ASP X 16 5.979 -3.169 0.836 1.00 0.00 H ATOM 283 H ASP X 16 4.456 -3.678 -2.410 1.00 0.00 H ATOM 284 N ASN X 17 7.771 -3.894 -1.763 1.00 11.55 N ATOM 285 CA ASN X 17 9.222 -4.174 -1.957 1.00 31.14 C ATOM 286 C ASN X 17 9.786 -3.239 -3.028 1.00 52.35 C ATOM 287 O ASN X 17 10.909 -2.785 -2.943 1.00 32.13 O ATOM 288 CB ASN X 17 9.401 -5.622 -2.408 1.00 44.11 C ATOM 289 CG ASN X 17 9.072 -6.566 -1.250 1.00 61.33 C ATOM 290 OD1 ASN X 17 9.071 -6.168 -0.100 1.00 45.44 O ATOM 291 ND2 ASN X 17 8.795 -7.819 -1.505 1.00 64.33 N ATOM 292 HA ASN X 17 9.751 -4.012 -1.018 1.00 0.00 H ATOM 293 HB2 ASN X 17 8.733 -5.827 -3.244 1.00 0.00 H ATOM 294 HB3 ASN X 17 10.433 -5.779 -2.722 1.00 0.00 H ATOM 295 HD22 ASN X 17 8.795 -8.162 -2.487 1.00 0.00 H ATOM 296 HD21 ASN X 17 8.575 -8.472 -0.726 1.00 0.00 H ATOM 297 H ASN X 17 7.071 -4.641 -1.946 1.00 0.00 H ATOM 298 N LYS X 18 9.015 -2.968 -4.048 1.00 1.21 N ATOM 299 CA LYS X 18 9.504 -2.099 -5.165 1.00 54.12 C ATOM 300 C LYS X 18 9.873 -0.708 -4.635 1.00 65.11 C ATOM 301 O LYS X 18 10.898 -0.157 -4.981 1.00 30.41 O ATOM 302 CB LYS X 18 8.393 -1.974 -6.217 1.00 42.22 C ATOM 303 CG LYS X 18 8.910 -1.231 -7.454 1.00 44.32 C ATOM 304 CD LYS X 18 7.788 -1.150 -8.498 1.00 51.33 C ATOM 305 CE LYS X 18 8.307 -0.477 -9.774 1.00 41.30 C ATOM 306 NZ LYS X 18 7.241 -0.498 -10.819 1.00 22.15 N ATOM 307 HA LYS X 18 10.392 -2.547 -5.611 1.00 0.00 H ATOM 308 HB2 LYS X 18 8.060 -2.970 -6.509 1.00 0.00 H ATOM 309 HB3 LYS X 18 7.555 -1.423 -5.791 1.00 0.00 H ATOM 310 HG2 LYS X 18 9.220 -0.225 -7.172 1.00 0.00 H ATOM 311 HG3 LYS X 18 9.761 -1.768 -7.873 1.00 0.00 H ATOM 312 HD2 LYS X 18 7.442 -2.156 -8.735 1.00 0.00 H ATOM 313 HD3 LYS X 18 6.960 -0.568 -8.094 1.00 0.00 H ATOM 314 HE2 LYS X 18 9.183 -1.014 -10.138 1.00 0.00 H ATOM 315 HE3 LYS X 18 8.581 0.555 -9.555 1.00 0.00 H ATOM 316 HZ1 LYS X 18 6.981 -1.483 -11.028 1.00 0.00 H ATOM 317 HZ2 LYS X 18 6.406 0.016 -10.471 1.00 0.00 H ATOM 318 HZ3 LYS X 18 7.596 -0.041 -11.683 1.00 0.00 H ATOM 319 H LYS X 18 8.052 -3.360 -4.084 1.00 0.00 H ATOM 320 N ILE X 19 9.044 -0.128 -3.806 1.00 64.10 N ATOM 321 CA ILE X 19 9.359 1.229 -3.266 1.00 23.24 C ATOM 322 C ILE X 19 10.500 1.139 -2.247 1.00 73.11 C ATOM 323 O ILE X 19 11.222 2.092 -2.029 1.00 40.50 O ATOM 324 CB ILE X 19 8.111 1.811 -2.601 1.00 73.31 C ATOM 325 CG1 ILE X 19 8.462 3.152 -1.941 1.00 71.33 C ATOM 326 CG2 ILE X 19 7.582 0.833 -1.550 1.00 73.03 C ATOM 327 CD1 ILE X 19 8.712 2.951 -0.445 1.00 44.32 C ATOM 328 HA ILE X 19 9.672 1.878 -4.084 1.00 0.00 H ATOM 329 HB ILE X 19 7.339 1.973 -3.354 1.00 0.00 H ATOM 330 HG12 ILE X 19 9.360 3.559 -2.406 1.00 0.00 H ATOM 331 HG13 ILE X 19 7.636 3.849 -2.078 1.00 0.00 H ATOM 332 HD11 ILE X 19 7.814 2.546 0.021 1.00 0.00 H ATOM 333 HD12 ILE X 19 9.540 2.255 -0.306 1.00 0.00 H ATOM 334 HD13 ILE X 19 8.960 3.909 0.013 1.00 0.00 H ATOM 335 HG21 ILE X 19 7.329 -0.112 -2.030 1.00 0.00 H ATOM 336 HG22 ILE X 19 8.349 0.664 -0.794 1.00 0.00 H ATOM 337 HG23 ILE X 19 6.693 1.253 -1.080 1.00 0.00 H ATOM 338 H ILE X 19 8.167 -0.611 -3.523 1.00 0.00 H ATOM 339 N LEU X 20 10.676 0.003 -1.628 1.00 24.32 N ATOM 340 CA LEU X 20 11.781 -0.137 -0.637 1.00 24.32 C ATOM 341 C LEU X 20 13.081 -0.461 -1.382 1.00 3.21 C ATOM 342 O LEU X 20 14.149 -0.494 -0.803 1.00 52.12 O ATOM 343 CB LEU X 20 11.465 -1.281 0.334 1.00 61.32 C ATOM 344 CG LEU X 20 10.401 -0.847 1.349 1.00 52.11 C ATOM 345 CD1 LEU X 20 10.019 -2.049 2.215 1.00 42.33 C ATOM 346 CD2 LEU X 20 10.957 0.261 2.249 1.00 1.53 C ATOM 347 HA LEU X 20 11.888 0.793 -0.079 1.00 0.00 H ATOM 348 HB2 LEU X 20 11.095 -2.138 -0.229 1.00 0.00 H ATOM 349 HB3 LEU X 20 12.374 -1.562 0.865 1.00 0.00 H ATOM 350 HG LEU X 20 9.527 -0.473 0.817 1.00 0.00 H ATOM 351 HD21 LEU X 20 11.832 -0.111 2.782 1.00 0.00 H ATOM 352 HD22 LEU X 20 11.240 1.117 1.637 1.00 0.00 H ATOM 353 HD23 LEU X 20 10.193 0.562 2.966 1.00 0.00 H ATOM 354 HD11 LEU X 20 9.621 -2.841 1.580 1.00 0.00 H ATOM 355 HD12 LEU X 20 10.902 -2.412 2.740 1.00 0.00 H ATOM 356 HD13 LEU X 20 9.262 -1.747 2.939 1.00 0.00 H ATOM 357 H LEU X 20 10.047 -0.802 -1.826 1.00 0.00 H ATOM 358 N LYS X 21 12.999 -0.705 -2.666 1.00 51.41 N ATOM 359 CA LYS X 21 14.229 -1.023 -3.450 1.00 23.32 C ATOM 360 C LYS X 21 14.942 -2.219 -2.816 1.00 41.24 C ATOM 361 O LYS X 21 15.912 -2.065 -2.099 1.00 12.12 O ATOM 362 CB LYS X 21 15.166 0.190 -3.453 1.00 1.20 C ATOM 363 CG LYS X 21 14.421 1.427 -3.974 1.00 45.32 C ATOM 364 CD LYS X 21 15.268 2.680 -3.736 1.00 53.01 C ATOM 365 CE LYS X 21 16.389 2.751 -4.779 1.00 14.11 C ATOM 366 NZ LYS X 21 17.079 4.069 -4.684 1.00 3.33 N ATOM 367 HA LYS X 21 13.952 -1.267 -4.476 1.00 0.00 H ATOM 368 HB2 LYS X 21 15.515 0.379 -2.438 1.00 0.00 H ATOM 369 HB3 LYS X 21 16.021 -0.015 -4.098 1.00 0.00 H ATOM 370 HG2 LYS X 21 14.233 1.314 -5.042 1.00 0.00 H ATOM 371 HG3 LYS X 21 13.471 1.526 -3.448 1.00 0.00 H ATOM 372 HD2 LYS X 21 14.638 3.565 -3.820 1.00 0.00 H ATOM 373 HD3 LYS X 21 15.704 2.639 -2.738 1.00 0.00 H ATOM 374 HE2 LYS X 21 15.965 2.635 -5.776 1.00 0.00 H ATOM 375 HE3 LYS X 21 17.107 1.952 -4.595 1.00 0.00 H ATOM 376 HZ1 LYS X 21 16.394 4.831 -4.860 1.00 0.00 H ATOM 377 HZ2 LYS X 21 17.484 4.179 -3.733 1.00 0.00 H ATOM 378 HZ3 LYS X 21 17.839 4.113 -5.393 1.00 0.00 H ATOM 379 H LYS X 21 12.074 -0.677 -3.141 1.00 0.00 H ATOM 380 N ALA X 22 14.470 -3.409 -3.066 1.00 31.54 N ATOM 381 CA ALA X 22 15.115 -4.611 -2.463 1.00 64.32 C ATOM 382 C ALA X 22 16.208 -5.147 -3.393 1.00 54.30 C ATOM 383 O ALA X 22 17.382 -4.912 -3.188 1.00 74.30 O ATOM 384 CB ALA X 22 14.052 -5.691 -2.235 1.00 53.22 C ATOM 385 HA ALA X 22 15.570 -4.337 -1.511 1.00 0.00 H ATOM 386 HB1 ALA X 22 13.286 -5.308 -1.560 1.00 0.00 H ATOM 387 HB2 ALA X 22 13.597 -5.958 -3.189 1.00 0.00 H ATOM 388 HB3 ALA X 22 14.519 -6.572 -1.794 1.00 0.00 H ATOM 389 H ALA X 22 13.643 -3.520 -3.687 1.00 0.00 H ATOM 390 N ARG X 23 15.831 -5.866 -4.416 1.00 53.34 N ATOM 391 CA ARG X 23 16.848 -6.429 -5.354 1.00 5.01 C ATOM 392 C ARG X 23 17.153 -5.408 -6.461 1.00 70.42 C ATOM 393 O ARG X 23 18.259 -5.329 -6.959 1.00 73.32 O ATOM 394 CB ARG X 23 16.310 -7.733 -5.972 1.00 23.53 C ATOM 395 CG ARG X 23 16.226 -8.828 -4.892 1.00 11.32 C ATOM 396 CD ARG X 23 15.693 -10.140 -5.507 1.00 32.35 C ATOM 397 NE ARG X 23 14.288 -9.933 -5.986 1.00 24.14 N ATOM 398 CZ ARG X 23 13.321 -9.690 -5.130 1.00 23.13 C ATOM 399 NH1 ARG X 23 13.567 -9.691 -3.850 1.00 3.14 N ATOM 400 NH2 ARG X 23 12.104 -9.456 -5.555 1.00 50.41 N ATOM 401 HA ARG X 23 17.767 -6.644 -4.809 1.00 0.00 H ATOM 402 HB2 ARG X 23 15.317 -7.555 -6.385 1.00 0.00 H ATOM 403 HB3 ARG X 23 16.980 -8.060 -6.767 1.00 0.00 H ATOM 404 HG2 ARG X 23 17.218 -9.002 -4.476 1.00 0.00 H ATOM 405 HG3 ARG X 23 15.553 -8.502 -4.099 1.00 0.00 H ATOM 406 HD2 ARG X 23 15.708 -10.927 -4.753 1.00 0.00 H ATOM 407 HD3 ARG X 23 16.324 -10.431 -6.347 1.00 0.00 H ATOM 408 HE ARG X 23 14.077 -9.982 -7.003 1.00 0.00 H ATOM 409 HH12 ARG X 23 12.801 -9.499 -3.173 1.00 0.00 H ATOM 410 HH11 ARG X 23 14.529 -9.884 -3.506 1.00 0.00 H ATOM 411 HH22 ARG X 23 11.343 -9.264 -4.873 1.00 0.00 H ATOM 412 HH21 ARG X 23 11.899 -9.462 -6.575 1.00 0.00 H ATOM 413 H ARG X 23 14.820 -6.047 -4.578 1.00 0.00 H ATOM 414 N TRP X 24 16.173 -4.630 -6.851 1.00 72.12 N ATOM 415 CA TRP X 24 16.395 -3.628 -7.938 1.00 10.13 C ATOM 416 C TRP X 24 17.063 -2.378 -7.360 1.00 14.10 C ATOM 417 O TRP X 24 16.497 -1.700 -6.527 1.00 12.03 O ATOM 418 CB TRP X 24 15.052 -3.241 -8.565 1.00 63.50 C ATOM 419 CG TRP X 24 14.333 -4.460 -9.064 1.00 41.34 C ATOM 420 CD1 TRP X 24 14.818 -5.337 -9.975 1.00 24.24 C ATOM 421 CD2 TRP X 24 13.021 -4.959 -8.676 1.00 45.10 C ATOM 422 NE1 TRP X 24 13.883 -6.342 -10.170 1.00 2.31 N ATOM 423 CE2 TRP X 24 12.757 -6.150 -9.394 1.00 12.53 C ATOM 424 CE3 TRP X 24 12.039 -4.492 -7.785 1.00 42.32 C ATOM 425 CZ2 TRP X 24 11.565 -6.858 -9.224 1.00 1.00 C ATOM 426 CZ3 TRP X 24 10.838 -5.200 -7.610 1.00 41.52 C ATOM 427 CH2 TRP X 24 10.601 -6.380 -8.331 1.00 63.21 C ATOM 428 HA TRP X 24 17.040 -4.065 -8.700 1.00 0.00 H ATOM 429 HB2 TRP X 24 14.437 -2.743 -7.816 1.00 0.00 H ATOM 430 HB3 TRP X 24 15.228 -2.562 -9.399 1.00 0.00 H ATOM 431 HE1 TRP X 24 14.014 -7.142 -10.821 1.00 0.00 H ATOM 432 HD1 TRP X 24 15.785 -5.265 -10.473 1.00 0.00 H ATOM 433 HZ2 TRP X 24 11.388 -7.777 -9.783 1.00 0.00 H ATOM 434 HH2 TRP X 24 9.666 -6.924 -8.195 1.00 0.00 H ATOM 435 HZ3 TRP X 24 10.087 -4.831 -6.911 1.00 0.00 H ATOM 436 HE3 TRP X 24 12.211 -3.573 -7.225 1.00 0.00 H ATOM 437 H TRP X 24 15.238 -4.710 -6.403 1.00 0.00 H ATOM 438 N PRO X 25 18.268 -2.090 -7.781 1.00 33.11 N ATOM 439 CA PRO X 25 19.030 -0.895 -7.304 1.00 62.14 C ATOM 440 C PRO X 25 18.235 0.403 -7.427 1.00 0.42 C ATOM 441 O PRO X 25 18.235 1.230 -6.539 1.00 5.34 O ATOM 442 CB PRO X 25 20.259 -0.856 -8.219 1.00 30.53 C ATOM 443 CG PRO X 25 20.475 -2.275 -8.621 1.00 35.14 C ATOM 444 CD PRO X 25 19.080 -2.884 -8.763 1.00 5.53 C ATOM 445 HA PRO X 25 19.273 -0.976 -6.244 1.00 0.00 H ATOM 446 HD3 PRO X 25 18.699 -2.762 -9.777 1.00 0.00 H ATOM 447 HD2 PRO X 25 19.085 -3.943 -8.503 1.00 0.00 H ATOM 448 HG3 PRO X 25 21.045 -2.804 -7.857 1.00 0.00 H ATOM 449 HG2 PRO X 25 21.009 -2.324 -9.570 1.00 0.00 H ATOM 450 HB2 PRO X 25 20.069 -0.233 -9.093 1.00 0.00 H ATOM 451 HB3 PRO X 25 21.126 -0.472 -7.682 1.00 0.00 H ATOM 452 N TRP X 26 17.549 0.586 -8.524 1.00 41.23 N ATOM 453 CA TRP X 26 16.754 1.834 -8.707 1.00 64.54 C ATOM 454 C TRP X 26 15.270 1.478 -8.816 1.00 15.24 C ATOM 455 O TRP X 26 14.913 0.368 -9.158 1.00 71.20 O ATOM 456 CB TRP X 26 17.201 2.545 -9.987 1.00 42.25 C ATOM 457 CG TRP X 26 16.462 3.836 -10.122 1.00 73.43 C ATOM 458 CD1 TRP X 26 16.734 4.965 -9.428 1.00 23.34 C ATOM 459 CD2 TRP X 26 15.336 4.150 -10.989 1.00 31.55 C ATOM 460 NE1 TRP X 26 15.845 5.952 -9.815 1.00 34.31 N ATOM 461 CE2 TRP X 26 14.963 5.497 -10.775 1.00 12.41 C ATOM 462 CE3 TRP X 26 14.608 3.401 -11.932 1.00 12.31 C ATOM 463 CZ2 TRP X 26 13.905 6.082 -11.473 1.00 61.04 C ATOM 464 CZ3 TRP X 26 13.543 3.986 -12.635 1.00 31.33 C ATOM 465 CH2 TRP X 26 13.193 5.324 -12.407 1.00 33.04 C ATOM 466 HA TRP X 26 16.912 2.493 -7.853 1.00 0.00 H ATOM 467 HB2 TRP X 26 18.272 2.742 -9.939 1.00 0.00 H ATOM 468 HB3 TRP X 26 16.988 1.912 -10.848 1.00 0.00 H ATOM 469 HE1 TRP X 26 15.842 6.918 -9.430 1.00 0.00 H ATOM 470 HD1 TRP X 26 17.524 5.078 -8.686 1.00 0.00 H ATOM 471 HZ2 TRP X 26 13.636 7.122 -11.291 1.00 0.00 H ATOM 472 HH2 TRP X 26 12.366 5.773 -12.958 1.00 0.00 H ATOM 473 HZ3 TRP X 26 12.985 3.396 -13.362 1.00 0.00 H ATOM 474 HE3 TRP X 26 14.873 2.360 -12.118 1.00 0.00 H ATOM 475 H TRP X 26 17.558 -0.139 -9.270 1.00 0.00 H ATOM 476 N ALA X 27 14.401 2.407 -8.521 1.00 44.14 N ATOM 477 CA ALA X 27 12.944 2.114 -8.608 1.00 11.02 C ATOM 478 C ALA X 27 12.169 3.412 -8.846 1.00 24.13 C ATOM 479 O ALA X 27 12.594 4.482 -8.458 1.00 21.31 O ATOM 480 CB ALA X 27 12.478 1.469 -7.300 1.00 4.41 C ATOM 481 HA ALA X 27 12.760 1.431 -9.437 1.00 0.00 H ATOM 482 HB1 ALA X 27 13.028 0.542 -7.137 1.00 0.00 H ATOM 483 HB2 ALA X 27 12.664 2.153 -6.472 1.00 0.00 H ATOM 484 HB3 ALA X 27 11.411 1.254 -7.362 1.00 0.00 H ATOM 485 H ALA X 27 14.726 3.350 -8.226 1.00 0.00 H ATOM 486 N GLU X 28 11.033 3.321 -9.481 1.00 53.10 N ATOM 487 CA GLU X 28 10.218 4.542 -9.746 1.00 44.13 C ATOM 488 C GLU X 28 8.994 4.531 -8.827 1.00 60.03 C ATOM 489 O GLU X 28 8.555 3.493 -8.369 1.00 42.45 O ATOM 490 CB GLU X 28 9.762 4.548 -11.207 1.00 2.13 C ATOM 491 CG GLU X 28 8.984 3.265 -11.508 1.00 13.34 C ATOM 492 CD GLU X 28 8.552 3.261 -12.976 1.00 63.53 C ATOM 493 OE1 GLU X 28 8.723 4.280 -13.625 1.00 11.13 O ATOM 494 OE2 GLU X 28 8.057 2.242 -13.426 1.00 60.30 O ATOM 495 HA GLU X 28 10.816 5.433 -9.555 1.00 0.00 H ATOM 496 HB2 GLU X 28 9.120 5.411 -11.383 1.00 0.00 H ATOM 497 HB3 GLU X 28 10.634 4.605 -11.859 1.00 0.00 H ATOM 498 HG2 GLU X 28 9.619 2.401 -11.314 1.00 0.00 H ATOM 499 HG3 GLU X 28 8.102 3.217 -10.870 1.00 0.00 H ATOM 500 H GLU X 28 10.694 2.392 -9.804 1.00 0.00 H ATOM 501 N LYS X 29 8.438 5.681 -8.561 1.00 72.12 N ATOM 502 CA LYS X 29 7.242 5.747 -7.674 1.00 1.31 C ATOM 503 C LYS X 29 5.984 5.467 -8.499 1.00 42.44 C ATOM 504 O LYS X 29 5.804 6.006 -9.574 1.00 63.31 O ATOM 505 CB LYS X 29 7.146 7.141 -7.039 1.00 11.04 C ATOM 506 CG LYS X 29 8.343 7.374 -6.113 1.00 4.11 C ATOM 507 CD LYS X 29 8.266 8.784 -5.521 1.00 45.44 C ATOM 508 CE LYS X 29 9.485 9.041 -4.632 1.00 1.23 C ATOM 509 NZ LYS X 29 9.381 8.230 -3.388 1.00 25.11 N ATOM 510 HA LYS X 29 7.332 5.001 -6.885 1.00 0.00 H ATOM 511 HB2 LYS X 29 7.143 7.897 -7.824 1.00 0.00 H ATOM 512 HB3 LYS X 29 6.223 7.214 -6.463 1.00 0.00 H ATOM 513 HG2 LYS X 29 8.327 6.640 -5.307 1.00 0.00 H ATOM 514 HG3 LYS X 29 9.267 7.268 -6.681 1.00 0.00 H ATOM 515 HD2 LYS X 29 8.246 9.515 -6.329 1.00 0.00 H ATOM 516 HD3 LYS X 29 7.358 8.878 -4.926 1.00 0.00 H ATOM 517 HE2 LYS X 29 9.528 10.099 -4.372 1.00 0.00 H ATOM 518 HE3 LYS X 29 10.391 8.764 -5.171 1.00 0.00 H ATOM 519 HZ1 LYS X 29 8.517 8.496 -2.874 1.00 0.00 H ATOM 520 HZ2 LYS X 29 9.342 7.221 -3.636 1.00 0.00 H ATOM 521 HZ3 LYS X 29 10.212 8.409 -2.788 1.00 0.00 H ATOM 522 H LYS X 29 8.830 6.554 -8.969 1.00 0.00 H ATOM 523 N LEU X 30 5.108 4.631 -8.007 1.00 33.14 N ATOM 524 CA LEU X 30 3.861 4.330 -8.765 1.00 43.23 C ATOM 525 C LEU X 30 2.646 4.696 -7.906 1.00 4.24 C ATOM 526 O LEU X 30 2.025 3.845 -7.298 1.00 34.44 O ATOM 527 CB LEU X 30 3.821 2.839 -9.135 1.00 65.34 C ATOM 528 CG LEU X 30 4.690 2.027 -8.169 1.00 1.10 C ATOM 529 CD1 LEU X 30 4.177 0.589 -8.105 1.00 41.00 C ATOM 530 CD2 LEU X 30 6.139 2.018 -8.673 1.00 35.33 C ATOM 531 HA LEU X 30 3.841 4.917 -9.683 1.00 0.00 H ATOM 532 HB2 LEU X 30 2.792 2.482 -9.080 1.00 0.00 H ATOM 533 HB3 LEU X 30 4.195 2.710 -10.151 1.00 0.00 H ATOM 534 HG LEU X 30 4.645 2.478 -7.178 1.00 0.00 H ATOM 535 HD21 LEU X 30 6.175 1.566 -9.664 1.00 0.00 H ATOM 536 HD22 LEU X 30 6.510 3.041 -8.726 1.00 0.00 H ATOM 537 HD23 LEU X 30 6.758 1.440 -7.986 1.00 0.00 H ATOM 538 HD11 LEU X 30 3.145 0.588 -7.754 1.00 0.00 H ATOM 539 HD12 LEU X 30 4.224 0.143 -9.099 1.00 0.00 H ATOM 540 HD13 LEU X 30 4.797 0.014 -7.417 1.00 0.00 H ATOM 541 H LEU X 30 5.281 4.177 -7.088 1.00 0.00 H ATOM 542 N ILE X 31 2.296 5.954 -7.860 1.00 13.34 N ATOM 543 CA ILE X 31 1.117 6.370 -7.044 1.00 64.14 C ATOM 544 C ILE X 31 -0.156 5.761 -7.640 1.00 64.54 C ATOM 545 O ILE X 31 -1.020 5.284 -6.930 1.00 62.20 O ATOM 546 CB ILE X 31 0.998 7.899 -7.055 1.00 44.23 C ATOM 547 CG1 ILE X 31 2.337 8.519 -6.640 1.00 61.44 C ATOM 548 CG2 ILE X 31 -0.090 8.332 -6.068 1.00 71.52 C ATOM 549 CD1 ILE X 31 2.785 7.934 -5.297 1.00 54.55 C ATOM 550 HA ILE X 31 1.246 6.021 -6.019 1.00 0.00 H ATOM 551 HB ILE X 31 0.736 8.236 -8.058 1.00 0.00 H ATOM 552 HG12 ILE X 31 3.088 8.300 -7.399 1.00 0.00 H ATOM 553 HG13 ILE X 31 2.222 9.599 -6.545 1.00 0.00 H ATOM 554 HD11 ILE X 31 2.034 8.154 -4.538 1.00 0.00 H ATOM 555 HD12 ILE X 31 2.901 6.854 -5.393 1.00 0.00 H ATOM 556 HD13 ILE X 31 3.737 8.379 -5.008 1.00 0.00 H ATOM 557 HG21 ILE X 31 -1.042 7.890 -6.362 1.00 0.00 H ATOM 558 HG22 ILE X 31 0.175 7.994 -5.066 1.00 0.00 H ATOM 559 HG23 ILE X 31 -0.174 9.419 -6.076 1.00 0.00 H ATOM 560 H ILE X 31 2.838 6.665 -8.391 1.00 0.00 H ATOM 561 N ALA X 32 -0.280 5.776 -8.940 1.00 11.53 N ATOM 562 CA ALA X 32 -1.501 5.214 -9.587 1.00 65.33 C ATOM 563 C ALA X 32 -1.773 3.806 -9.045 1.00 53.52 C ATOM 564 O ALA X 32 -2.862 3.505 -8.595 1.00 50.42 O ATOM 565 CB ALA X 32 -1.280 5.143 -11.099 1.00 32.50 C ATOM 566 HA ALA X 32 -2.356 5.854 -9.368 1.00 0.00 H ATOM 567 HB1 ALA X 32 -1.089 6.144 -11.484 1.00 0.00 H ATOM 568 HB2 ALA X 32 -0.425 4.501 -11.310 1.00 0.00 H ATOM 569 HB3 ALA X 32 -2.170 4.733 -11.576 1.00 0.00 H ATOM 570 H ALA X 32 0.476 6.182 -9.527 1.00 0.00 H ATOM 571 N GLU X 33 -0.796 2.943 -9.086 1.00 12.14 N ATOM 572 CA GLU X 33 -1.002 1.553 -8.585 1.00 34.15 C ATOM 573 C GLU X 33 -1.685 1.604 -7.212 1.00 20.35 C ATOM 574 O GLU X 33 -2.727 1.016 -7.006 1.00 1.03 O ATOM 575 CB GLU X 33 0.354 0.852 -8.459 1.00 61.15 C ATOM 576 CG GLU X 33 0.969 0.652 -9.847 1.00 23.50 C ATOM 577 CD GLU X 33 0.119 -0.334 -10.650 1.00 42.02 C ATOM 578 OE1 GLU X 33 -0.618 -1.089 -10.039 1.00 2.42 O ATOM 579 OE2 GLU X 33 0.218 -0.314 -11.866 1.00 62.24 O ATOM 580 HA GLU X 33 -1.631 1.001 -9.283 1.00 0.00 H ATOM 581 HB2 GLU X 33 1.022 1.463 -7.852 1.00 0.00 H ATOM 582 HB3 GLU X 33 0.217 -0.118 -7.981 1.00 0.00 H ATOM 583 HG2 GLU X 33 1.005 1.608 -10.369 1.00 0.00 H ATOM 584 HG3 GLU X 33 1.980 0.258 -9.742 1.00 0.00 H ATOM 585 H GLU X 33 0.129 3.225 -9.469 1.00 0.00 H ATOM 586 N ARG X 34 -1.106 2.306 -6.273 1.00 72.02 N ATOM 587 CA ARG X 34 -1.728 2.402 -4.919 1.00 40.04 C ATOM 588 C ARG X 34 -3.125 2.995 -5.049 1.00 13.35 C ATOM 589 O ARG X 34 -4.073 2.519 -4.459 1.00 44.33 O ATOM 590 CB ARG X 34 -0.866 3.306 -4.021 1.00 64.13 C ATOM 591 CG ARG X 34 -1.510 3.477 -2.634 1.00 70.43 C ATOM 592 CD ARG X 34 -1.489 2.148 -1.908 1.00 31.35 C ATOM 593 NE ARG X 34 -2.852 1.497 -1.899 1.00 20.42 N ATOM 594 CZ ARG X 34 -2.960 0.325 -1.364 1.00 54.30 C ATOM 595 NH1 ARG X 34 -1.897 -0.246 -0.872 1.00 52.41 N ATOM 596 NH2 ARG X 34 -4.118 -0.275 -1.299 1.00 45.20 N ATOM 597 HA ARG X 34 -1.793 1.409 -4.475 1.00 0.00 H ATOM 598 HB2 ARG X 34 0.120 2.857 -3.904 1.00 0.00 H ATOM 599 HB3 ARG X 34 -0.765 4.284 -4.491 1.00 0.00 H ATOM 600 HG2 ARG X 34 -0.950 4.215 -2.060 1.00 0.00 H ATOM 601 HG3 ARG X 34 -2.540 3.814 -2.749 1.00 0.00 H ATOM 602 HD2 ARG X 34 -1.168 2.312 -0.879 1.00 0.00 H ATOM 603 HD3 ARG X 34 -0.783 1.484 -2.406 1.00 0.00 H ATOM 604 HE ARG X 34 -3.678 1.977 -2.310 1.00 0.00 H ATOM 605 HH12 ARG X 34 -1.967 -1.189 -0.438 1.00 0.00 H ATOM 606 HH11 ARG X 34 -0.979 0.241 -0.913 1.00 0.00 H ATOM 607 HH22 ARG X 34 -4.192 -1.218 -0.866 1.00 0.00 H ATOM 608 HH21 ARG X 34 -4.967 0.190 -1.680 1.00 0.00 H ATOM 609 H ARG X 34 -0.211 2.798 -6.470 1.00 0.00 H ATOM 610 N ASN X 35 -3.262 4.037 -5.822 1.00 61.23 N ATOM 611 CA ASN X 35 -4.598 4.659 -5.994 1.00 0.11 C ATOM 612 C ASN X 35 -5.562 3.629 -6.601 1.00 14.32 C ATOM 613 O ASN X 35 -6.706 3.520 -6.204 1.00 55.04 O ATOM 614 CB ASN X 35 -4.486 5.870 -6.926 1.00 42.43 C ATOM 615 CG ASN X 35 -5.879 6.439 -7.185 1.00 15.21 C ATOM 616 OD1 ASN X 35 -6.876 5.806 -6.886 1.00 72.22 O ATOM 617 ND2 ASN X 35 -5.995 7.612 -7.741 1.00 2.04 N ATOM 618 HA ASN X 35 -4.976 4.986 -5.025 1.00 0.00 H ATOM 619 HB2 ASN X 35 -3.862 6.632 -6.459 1.00 0.00 H ATOM 620 HB3 ASN X 35 -4.037 5.563 -7.870 1.00 0.00 H ATOM 621 HD22 ASN X 35 -5.144 8.153 -7.996 1.00 0.00 H ATOM 622 HD21 ASN X 35 -6.938 8.007 -7.929 1.00 0.00 H ATOM 623 H ASN X 35 -2.436 4.431 -6.317 1.00 0.00 H ATOM 624 N SER X 36 -5.103 2.862 -7.554 1.00 55.10 N ATOM 625 CA SER X 36 -5.989 1.841 -8.185 1.00 1.15 C ATOM 626 C SER X 36 -6.666 1.020 -7.085 1.00 53.53 C ATOM 627 O SER X 36 -7.755 1.330 -6.643 1.00 51.50 O ATOM 628 CB SER X 36 -5.145 0.917 -9.059 1.00 73.03 C ATOM 629 OG SER X 36 -5.992 -0.024 -9.705 1.00 70.44 O ATOM 630 HA SER X 36 -6.746 2.332 -8.796 1.00 0.00 H ATOM 631 HB2 SER X 36 -4.421 0.389 -8.438 1.00 0.00 H ATOM 632 HB3 SER X 36 -4.617 1.507 -9.809 1.00 0.00 H ATOM 633 HG SER X 36 -5.445 -0.624 -10.272 1.00 0.00 H ATOM 634 H SER X 36 -4.118 2.963 -7.873 1.00 0.00 H ATOM 635 N LEU X 37 -6.025 -0.030 -6.638 1.00 22.01 N ATOM 636 CA LEU X 37 -6.631 -0.882 -5.573 1.00 1.22 C ATOM 637 C LEU X 37 -7.419 0.002 -4.598 1.00 10.02 C ATOM 638 O LEU X 37 -8.396 -0.415 -4.010 1.00 14.53 O ATOM 639 CB LEU X 37 -5.531 -1.598 -4.780 1.00 40.04 C ATOM 640 CG LEU X 37 -4.802 -2.645 -5.636 1.00 2.42 C ATOM 641 CD1 LEU X 37 -5.797 -3.625 -6.257 1.00 53.04 C ATOM 642 CD2 LEU X 37 -4.012 -1.947 -6.745 1.00 2.43 C ATOM 643 HA LEU X 37 -7.287 -1.614 -6.045 1.00 0.00 H ATOM 644 HB2 LEU X 37 -4.808 -0.860 -4.433 1.00 0.00 H ATOM 645 HB3 LEU X 37 -5.981 -2.095 -3.921 1.00 0.00 H ATOM 646 HG LEU X 37 -4.120 -3.201 -4.993 1.00 0.00 H ATOM 647 HD21 LEU X 37 -4.697 -1.379 -7.375 1.00 0.00 H ATOM 648 HD22 LEU X 37 -3.281 -1.272 -6.299 1.00 0.00 H ATOM 649 HD23 LEU X 37 -3.497 -2.695 -7.348 1.00 0.00 H ATOM 650 HD11 LEU X 37 -6.344 -4.136 -5.465 1.00 0.00 H ATOM 651 HD12 LEU X 37 -6.497 -3.078 -6.889 1.00 0.00 H ATOM 652 HD13 LEU X 37 -5.257 -4.357 -6.858 1.00 0.00 H ATOM 653 H LEU X 37 -5.091 -0.271 -7.026 1.00 0.00 H ATOM 654 N ALA X 38 -6.978 1.218 -4.408 1.00 52.33 N ATOM 655 CA ALA X 38 -7.652 2.130 -3.432 1.00 55.24 C ATOM 656 C ALA X 38 -9.153 2.222 -3.723 1.00 43.21 C ATOM 657 O ALA X 38 -9.977 1.994 -2.860 1.00 2.41 O ATOM 658 CB ALA X 38 -7.039 3.526 -3.538 1.00 2.34 C ATOM 659 HA ALA X 38 -7.511 1.729 -2.428 1.00 0.00 H ATOM 660 HB1 ALA X 38 -5.974 3.472 -3.312 1.00 0.00 H ATOM 661 HB2 ALA X 38 -7.178 3.907 -4.550 1.00 0.00 H ATOM 662 HB3 ALA X 38 -7.529 4.192 -2.827 1.00 0.00 H ATOM 663 H ALA X 38 -6.151 1.555 -4.941 1.00 0.00 H ATOM 664 N LYS X 39 -9.511 2.567 -4.928 1.00 51.35 N ATOM 665 CA LYS X 39 -10.958 2.712 -5.267 1.00 14.11 C ATOM 666 C LYS X 39 -11.618 1.331 -5.360 1.00 15.30 C ATOM 667 O LYS X 39 -12.720 1.129 -4.889 1.00 51.01 O ATOM 668 CB LYS X 39 -11.084 3.434 -6.610 1.00 14.03 C ATOM 669 CG LYS X 39 -10.402 2.603 -7.705 1.00 21.04 C ATOM 670 CD LYS X 39 -11.457 1.828 -8.498 1.00 32.12 C ATOM 671 CE LYS X 39 -12.046 2.725 -9.590 1.00 71.54 C ATOM 672 NZ LYS X 39 -11.247 2.581 -10.842 1.00 22.11 N ATOM 673 HA LYS X 39 -11.458 3.288 -4.488 1.00 0.00 H ATOM 674 HB2 LYS X 39 -12.138 3.563 -6.855 1.00 0.00 H ATOM 675 HB3 LYS X 39 -10.605 4.411 -6.544 1.00 0.00 H ATOM 676 HG2 LYS X 39 -9.858 3.266 -8.377 1.00 0.00 H ATOM 677 HG3 LYS X 39 -9.705 1.901 -7.246 1.00 0.00 H ATOM 678 HD2 LYS X 39 -10.995 0.954 -8.957 1.00 0.00 H ATOM 679 HD3 LYS X 39 -12.252 1.506 -7.825 1.00 0.00 H ATOM 680 HE2 LYS X 39 -12.020 3.764 -9.260 1.00 0.00 H ATOM 681 HE3 LYS X 39 -13.078 2.432 -9.782 1.00 0.00 H ATOM 682 HZ1 LYS X 39 -10.263 2.861 -10.658 1.00 0.00 H ATOM 683 HZ2 LYS X 39 -11.273 1.590 -11.157 1.00 0.00 H ATOM 684 HZ3 LYS X 39 -11.650 3.192 -11.581 1.00 0.00 H ATOM 685 H LYS X 39 -8.788 2.742 -5.655 1.00 0.00 H ATOM 686 N ASP X 40 -10.956 0.384 -5.961 1.00 34.42 N ATOM 687 CA ASP X 40 -11.543 -0.979 -6.079 1.00 32.52 C ATOM 688 C ASP X 40 -11.833 -1.531 -4.678 1.00 14.00 C ATOM 689 O ASP X 40 -12.859 -2.138 -4.441 1.00 34.33 O ATOM 690 CB ASP X 40 -10.547 -1.890 -6.801 1.00 53.03 C ATOM 691 CG ASP X 40 -10.709 -1.727 -8.314 1.00 55.24 C ATOM 692 OD1 ASP X 40 -11.753 -1.258 -8.732 1.00 35.04 O ATOM 693 OD2 ASP X 40 -9.784 -2.076 -9.030 1.00 2.04 O ATOM 694 HA ASP X 40 -12.473 -0.936 -6.646 1.00 0.00 H ATOM 695 HB2 ASP X 40 -9.531 -1.619 -6.513 1.00 0.00 H ATOM 696 HB3 ASP X 40 -10.737 -2.927 -6.525 1.00 0.00 H ATOM 697 H ASP X 40 -10.016 0.580 -6.359 1.00 0.00 H ATOM 698 N VAL X 41 -10.938 -1.325 -3.752 1.00 65.22 N ATOM 699 CA VAL X 41 -11.164 -1.828 -2.369 1.00 12.21 C ATOM 700 C VAL X 41 -12.354 -1.089 -1.762 1.00 5.34 C ATOM 701 O VAL X 41 -13.218 -1.679 -1.142 1.00 13.04 O ATOM 702 CB VAL X 41 -9.914 -1.570 -1.523 1.00 0.52 C ATOM 703 CG1 VAL X 41 -10.164 -2.028 -0.085 1.00 52.23 C ATOM 704 CG2 VAL X 41 -8.728 -2.349 -2.105 1.00 21.13 C ATOM 705 HA VAL X 41 -11.368 -2.899 -2.392 1.00 0.00 H ATOM 706 HB VAL X 41 -9.688 -0.504 -1.532 1.00 0.00 H ATOM 707 HG11 VAL X 41 -11.005 -1.473 0.331 1.00 0.00 H ATOM 708 HG12 VAL X 41 -10.393 -3.094 -0.079 1.00 0.00 H ATOM 709 HG13 VAL X 41 -9.272 -1.843 0.514 1.00 0.00 H ATOM 710 HG21 VAL X 41 -8.957 -3.415 -2.098 1.00 0.00 H ATOM 711 HG22 VAL X 41 -8.547 -2.021 -3.129 1.00 0.00 H ATOM 712 HG23 VAL X 41 -7.841 -2.163 -1.500 1.00 0.00 H ATOM 713 H VAL X 41 -10.065 -0.808 -3.980 1.00 0.00 H ATOM 714 N ALA X 42 -12.405 0.202 -1.940 1.00 4.32 N ATOM 715 CA ALA X 42 -13.530 0.994 -1.369 1.00 54.02 C ATOM 716 C ALA X 42 -14.850 0.305 -1.717 1.00 54.21 C ATOM 717 O ALA X 42 -15.719 0.144 -0.882 1.00 22.44 O ATOM 718 CB ALA X 42 -13.510 2.404 -1.966 1.00 4.44 C ATOM 719 HA ALA X 42 -13.427 1.061 -0.286 1.00 0.00 H ATOM 720 HB1 ALA X 42 -12.563 2.886 -1.724 1.00 0.00 H ATOM 721 HB2 ALA X 42 -13.620 2.340 -3.049 1.00 0.00 H ATOM 722 HB3 ALA X 42 -14.333 2.985 -1.549 1.00 0.00 H ATOM 723 H ALA X 42 -11.658 0.680 -2.483 1.00 0.00 H ATOM 724 N GLU X 43 -14.999 -0.113 -2.944 1.00 64.53 N ATOM 725 CA GLU X 43 -16.248 -0.816 -3.355 1.00 1.42 C ATOM 726 C GLU X 43 -16.482 -2.005 -2.421 1.00 44.31 C ATOM 727 O GLU X 43 -17.467 -2.071 -1.714 1.00 32.33 O ATOM 728 CB GLU X 43 -16.094 -1.321 -4.794 1.00 2.31 C ATOM 729 CG GLU X 43 -17.420 -1.910 -5.285 1.00 34.32 C ATOM 730 CD GLU X 43 -18.448 -0.792 -5.459 1.00 53.12 C ATOM 731 OE1 GLU X 43 -18.068 0.360 -5.340 1.00 10.31 O ATOM 732 OE2 GLU X 43 -19.600 -1.108 -5.706 1.00 2.21 O ATOM 733 HA GLU X 43 -17.094 -0.131 -3.298 1.00 0.00 H ATOM 734 HB2 GLU X 43 -15.806 -0.491 -5.440 1.00 0.00 H ATOM 735 HB3 GLU X 43 -15.322 -2.090 -4.827 1.00 0.00 H ATOM 736 HG2 GLU X 43 -17.263 -2.410 -6.241 1.00 0.00 H ATOM 737 HG3 GLU X 43 -17.789 -2.631 -4.555 1.00 0.00 H ATOM 738 H GLU X 43 -14.242 0.045 -3.639 1.00 0.00 H ATOM 739 N ILE X 44 -15.575 -2.949 -2.415 1.00 4.10 N ATOM 740 CA ILE X 44 -15.734 -4.141 -1.529 1.00 0.14 C ATOM 741 C ILE X 44 -16.038 -3.676 -0.102 1.00 12.34 C ATOM 742 O ILE X 44 -16.811 -4.288 0.610 1.00 74.11 O ATOM 743 CB ILE X 44 -14.437 -4.950 -1.518 1.00 71.42 C ATOM 744 CG1 ILE X 44 -13.980 -5.254 -2.952 1.00 72.02 C ATOM 745 CG2 ILE X 44 -14.659 -6.261 -0.764 1.00 51.55 C ATOM 746 CD1 ILE X 44 -15.127 -5.871 -3.755 1.00 60.31 C ATOM 747 HA ILE X 44 -16.551 -4.759 -1.902 1.00 0.00 H ATOM 748 HB ILE X 44 -13.664 -4.365 -1.020 1.00 0.00 H ATOM 749 HG12 ILE X 44 -13.661 -4.329 -3.432 1.00 0.00 H ATOM 750 HG13 ILE X 44 -13.144 -5.953 -2.923 1.00 0.00 H ATOM 751 HD11 ILE X 44 -15.445 -6.798 -3.278 1.00 0.00 H ATOM 752 HD12 ILE X 44 -15.963 -5.172 -3.788 1.00 0.00 H ATOM 753 HD13 ILE X 44 -14.787 -6.081 -4.769 1.00 0.00 H ATOM 754 HG21 ILE X 44 -14.960 -6.043 0.261 1.00 0.00 H ATOM 755 HG22 ILE X 44 -15.442 -6.836 -1.259 1.00 0.00 H ATOM 756 HG23 ILE X 44 -13.733 -6.836 -0.757 1.00 0.00 H ATOM 757 H ILE X 44 -14.740 -2.869 -3.030 1.00 0.00 H ATOM 758 N LYS X 45 -15.433 -2.597 0.322 1.00 1.40 N ATOM 759 CA LYS X 45 -15.655 -2.109 1.717 1.00 21.12 C ATOM 760 C LYS X 45 -17.147 -1.819 1.916 1.00 34.31 C ATOM 761 O LYS X 45 -17.742 -2.205 2.902 1.00 34.40 O ATOM 762 CB LYS X 45 -14.850 -0.822 1.951 1.00 33.24 C ATOM 763 CG LYS X 45 -13.349 -1.134 1.935 1.00 10.51 C ATOM 764 CD LYS X 45 -12.919 -1.658 3.311 1.00 23.05 C ATOM 765 CE LYS X 45 -11.398 -1.530 3.466 1.00 51.11 C ATOM 766 NZ LYS X 45 -11.015 -0.088 3.496 1.00 55.14 N ATOM 767 HA LYS X 45 -15.328 -2.871 2.425 1.00 0.00 H ATOM 768 HB2 LYS X 45 -15.079 -0.104 1.163 1.00 0.00 H ATOM 769 HB3 LYS X 45 -15.121 -0.397 2.918 1.00 0.00 H ATOM 770 HG2 LYS X 45 -13.143 -1.890 1.178 1.00 0.00 H ATOM 771 HG3 LYS X 45 -12.792 -0.227 1.701 1.00 0.00 H ATOM 772 HD2 LYS X 45 -13.412 -1.077 4.090 1.00 0.00 H ATOM 773 HD3 LYS X 45 -13.205 -2.706 3.405 1.00 0.00 H ATOM 774 HE2 LYS X 45 -10.905 -2.019 2.625 1.00 0.00 H ATOM 775 HE3 LYS X 45 -11.087 -2.007 4.395 1.00 0.00 H ATOM 776 HZ1 LYS X 45 -11.311 0.367 2.609 1.00 0.00 H ATOM 777 HZ2 LYS X 45 -11.484 0.377 4.299 1.00 0.00 H ATOM 778 HZ3 LYS X 45 -9.984 -0.007 3.601 1.00 0.00 H ATOM 779 H LYS X 45 -14.795 -2.077 -0.314 1.00 0.00 H ATOM 780 N ASN X 46 -17.753 -1.144 0.977 1.00 43.54 N ATOM 781 CA ASN X 46 -19.201 -0.822 1.094 1.00 12.52 C ATOM 782 C ASN X 46 -19.991 -2.128 1.180 1.00 21.15 C ATOM 783 O ASN X 46 -20.952 -2.240 1.916 1.00 23.45 O ATOM 784 CB ASN X 46 -19.631 -0.031 -0.144 1.00 15.12 C ATOM 785 CG ASN X 46 -21.122 0.298 -0.064 1.00 62.51 C ATOM 786 OD1 ASN X 46 -21.597 0.793 0.939 1.00 15.43 O ATOM 787 ND2 ASN X 46 -21.885 0.050 -1.094 1.00 0.30 N ATOM 788 HA ASN X 46 -19.390 -0.227 1.987 1.00 0.00 H ATOM 789 HB2 ASN X 46 -19.059 0.895 -0.197 1.00 0.00 H ATOM 790 HB3 ASN X 46 -19.440 -0.626 -1.037 1.00 0.00 H ATOM 791 HD22 ASN X 46 -21.478 -0.374 -1.952 1.00 0.00 H ATOM 792 HD21 ASN X 46 -22.899 0.276 -1.056 1.00 0.00 H ATOM 793 H ASN X 46 -17.220 -0.829 0.141 1.00 0.00 H ATOM 794 N GLN X 47 -19.582 -3.121 0.439 1.00 12.45 N ATOM 795 CA GLN X 47 -20.313 -4.419 0.461 1.00 32.30 C ATOM 796 C GLN X 47 -19.934 -5.182 1.738 1.00 53.32 C ATOM 797 O GLN X 47 -20.553 -6.168 2.089 1.00 11.43 O ATOM 798 CB GLN X 47 -19.940 -5.237 -0.781 1.00 4.42 C ATOM 799 CG GLN X 47 -19.013 -6.388 -0.387 1.00 51.23 C ATOM 800 CD GLN X 47 -18.470 -7.065 -1.649 1.00 11.44 C ATOM 801 OE1 GLN X 47 -17.802 -8.077 -1.572 1.00 32.55 O ATOM 802 NE2 GLN X 47 -18.733 -6.544 -2.819 1.00 52.11 N ATOM 803 HA GLN X 47 -21.389 -4.244 0.453 1.00 0.00 H ATOM 804 HB2 GLN X 47 -20.846 -5.641 -1.234 1.00 0.00 H ATOM 805 HB3 GLN X 47 -19.432 -4.593 -1.499 1.00 0.00 H ATOM 806 HG2 GLN X 47 -18.183 -6.000 0.203 1.00 0.00 H ATOM 807 HG3 GLN X 47 -19.569 -7.115 0.205 1.00 0.00 H ATOM 808 HE22 GLN X 47 -19.305 -5.678 -2.886 1.00 0.00 H ATOM 809 HE21 GLN X 47 -18.371 -6.996 -3.683 1.00 0.00 H ATOM 810 H GLN X 47 -18.745 -3.006 -0.168 1.00 0.00 H ATOM 811 N LEU X 48 -18.936 -4.716 2.445 1.00 23.41 N ATOM 812 CA LEU X 48 -18.526 -5.398 3.709 1.00 23.21 C ATOM 813 C LEU X 48 -19.234 -4.720 4.886 1.00 23.21 C ATOM 814 O LEU X 48 -19.162 -5.169 6.013 1.00 42.10 O ATOM 815 CB LEU X 48 -17.008 -5.282 3.906 1.00 54.43 C ATOM 816 CG LEU X 48 -16.271 -6.251 2.975 1.00 21.10 C ATOM 817 CD1 LEU X 48 -14.787 -5.885 2.942 1.00 62.21 C ATOM 818 CD2 LEU X 48 -16.420 -7.685 3.494 1.00 63.20 C ATOM 819 HA LEU X 48 -18.799 -6.452 3.654 1.00 0.00 H ATOM 820 HB2 LEU X 48 -16.694 -4.262 3.684 1.00 0.00 H ATOM 821 HB3 LEU X 48 -16.761 -5.520 4.941 1.00 0.00 H ATOM 822 HG LEU X 48 -16.696 -6.181 1.974 1.00 0.00 H ATOM 823 HD21 LEU X 48 -15.995 -7.754 4.495 1.00 0.00 H ATOM 824 HD22 LEU X 48 -17.477 -7.950 3.527 1.00 0.00 H ATOM 825 HD23 LEU X 48 -15.894 -8.368 2.827 1.00 0.00 H ATOM 826 HD11 LEU X 48 -14.674 -4.865 2.574 1.00 0.00 H ATOM 827 HD12 LEU X 48 -14.374 -5.957 3.948 1.00 0.00 H ATOM 828 HD13 LEU X 48 -14.259 -6.572 2.281 1.00 0.00 H ATOM 829 H LEU X 48 -18.426 -3.868 2.125 1.00 0.00 H ATOM 830 N GLY X 49 -19.922 -3.641 4.626 1.00 31.51 N ATOM 831 CA GLY X 49 -20.662 -2.930 5.711 1.00 52.23 C ATOM 832 C GLY X 49 -19.695 -2.427 6.792 1.00 24.13 C ATOM 833 O GLY X 49 -19.904 -2.647 7.968 1.00 73.55 O ATOM 834 HA3 GLY X 49 -21.379 -3.615 6.163 1.00 0.00 H ATOM 835 HA2 GLY X 49 -21.194 -2.080 5.283 1.00 0.00 H ATOM 836 H GLY X 49 -19.955 -3.273 3.654 1.00 0.00 H ATOM 837 N ILE X 50 -18.650 -1.736 6.414 1.00 13.34 N ATOM 838 CA ILE X 50 -17.699 -1.206 7.440 1.00 11.33 C ATOM 839 C ILE X 50 -17.085 0.105 6.952 1.00 31.52 C ATOM 840 O ILE X 50 -17.079 0.396 5.774 1.00 24.14 O ATOM 841 CB ILE X 50 -16.579 -2.216 7.702 1.00 63.42 C ATOM 842 CG1 ILE X 50 -16.267 -3.009 6.427 1.00 11.22 C ATOM 843 CG2 ILE X 50 -17.015 -3.179 8.805 1.00 32.03 C ATOM 844 CD1 ILE X 50 -15.745 -2.064 5.341 1.00 5.54 C ATOM 845 HA ILE X 50 -18.251 -1.033 8.364 1.00 0.00 H ATOM 846 HB ILE X 50 -15.682 -1.679 8.011 1.00 0.00 H ATOM 847 HG12 ILE X 50 -15.510 -3.762 6.646 1.00 0.00 H ATOM 848 HG13 ILE X 50 -17.175 -3.499 6.075 1.00 0.00 H ATOM 849 HD11 ILE X 50 -16.502 -1.312 5.121 1.00 0.00 H ATOM 850 HD12 ILE X 50 -14.837 -1.575 5.693 1.00 0.00 H ATOM 851 HD13 ILE X 50 -15.526 -2.635 4.439 1.00 0.00 H ATOM 852 HG21 ILE X 50 -17.221 -2.617 9.716 1.00 0.00 H ATOM 853 HG22 ILE X 50 -17.916 -3.706 8.490 1.00 0.00 H ATOM 854 HG23 ILE X 50 -16.218 -3.899 8.993 1.00 0.00 H ATOM 855 H ILE X 50 -18.481 -1.556 5.404 1.00 0.00 H ATOM 856 N PRO X 51 -16.590 0.898 7.863 1.00 60.05 N ATOM 857 CA PRO X 51 -15.976 2.224 7.545 1.00 1.24 C ATOM 858 C PRO X 51 -14.831 2.133 6.536 1.00 42.22 C ATOM 859 O PRO X 51 -14.050 1.200 6.548 1.00 64.40 O ATOM 860 CB PRO X 51 -15.471 2.719 8.902 1.00 10.33 C ATOM 861 CG PRO X 51 -15.378 1.490 9.739 1.00 22.02 C ATOM 862 CD PRO X 51 -16.570 0.632 9.320 1.00 33.50 C ATOM 863 HA PRO X 51 -16.695 2.894 7.072 1.00 0.00 H ATOM 864 HD3 PRO X 51 -16.403 -0.423 9.535 1.00 0.00 H ATOM 865 HD2 PRO X 51 -17.491 0.958 9.802 1.00 0.00 H ATOM 866 HG3 PRO X 51 -15.441 1.742 10.798 1.00 0.00 H ATOM 867 HG2 PRO X 51 -14.442 0.965 9.547 1.00 0.00 H ATOM 868 HB2 PRO X 51 -14.494 3.191 8.801 1.00 0.00 H ATOM 869 HB3 PRO X 51 -16.173 3.430 9.338 1.00 0.00 H ATOM 870 N ILE X 52 -14.725 3.103 5.671 1.00 14.31 N ATOM 871 CA ILE X 52 -13.640 3.091 4.649 1.00 61.11 C ATOM 872 C ILE X 52 -12.286 3.162 5.353 1.00 41.22 C ATOM 873 O ILE X 52 -11.356 2.463 5.002 1.00 73.41 O ATOM 874 CB ILE X 52 -13.800 4.306 3.731 1.00 73.23 C ATOM 875 CG1 ILE X 52 -15.204 4.295 3.121 1.00 14.14 C ATOM 876 CG2 ILE X 52 -12.753 4.254 2.616 1.00 4.13 C ATOM 877 CD1 ILE X 52 -15.471 5.625 2.412 1.00 11.52 C ATOM 878 HA ILE X 52 -13.698 2.176 4.059 1.00 0.00 H ATOM 879 HB ILE X 52 -13.659 5.220 4.308 1.00 0.00 H ATOM 880 HG12 ILE X 52 -15.280 3.479 2.402 1.00 0.00 H ATOM 881 HG13 ILE X 52 -15.941 4.151 3.911 1.00 0.00 H ATOM 882 HD11 ILE X 52 -15.396 6.440 3.132 1.00 0.00 H ATOM 883 HD12 ILE X 52 -14.735 5.768 1.621 1.00 0.00 H ATOM 884 HD13 ILE X 52 -16.472 5.611 1.980 1.00 0.00 H ATOM 885 HG21 ILE X 52 -11.755 4.262 3.055 1.00 0.00 H ATOM 886 HG22 ILE X 52 -12.888 3.342 2.035 1.00 0.00 H ATOM 887 HG23 ILE X 52 -12.872 5.121 1.967 1.00 0.00 H ATOM 888 H ILE X 52 -15.403 3.891 5.694 1.00 0.00 H ATOM 889 N ASN X 53 -12.165 4.002 6.341 1.00 60.42 N ATOM 890 CA ASN X 53 -10.871 4.116 7.063 1.00 61.31 C ATOM 891 C ASN X 53 -10.599 2.830 7.842 1.00 11.44 C ATOM 892 O ASN X 53 -11.505 2.111 8.217 1.00 10.11 O ATOM 893 CB ASN X 53 -10.914 5.292 8.035 1.00 61.45 C ATOM 894 CG ASN X 53 -9.476 5.685 8.381 1.00 61.14 C ATOM 895 OD1 ASN X 53 -9.040 6.780 8.075 1.00 45.05 O ATOM 896 ND2 ASN X 53 -8.705 4.823 8.989 1.00 51.40 N ATOM 897 HA ASN X 53 -10.077 4.279 6.335 1.00 0.00 H ATOM 898 HB2 ASN X 53 -11.425 6.135 7.571 1.00 0.00 H ATOM 899 HB3 ASN X 53 -11.445 5.002 8.942 1.00 0.00 H ATOM 900 HD22 ASN X 53 -9.076 3.887 9.251 1.00 0.00 H ATOM 901 HD21 ASN X 53 -7.720 5.072 9.211 1.00 0.00 H ATOM 902 H ASN X 53 -12.973 4.592 6.624 1.00 0.00 H ATOM 903 N ASP X 54 -9.352 2.529 8.081 1.00 24.32 N ATOM 904 CA ASP X 54 -9.023 1.282 8.814 1.00 12.14 C ATOM 905 C ASP X 54 -7.549 1.303 9.231 1.00 12.35 C ATOM 906 O ASP X 54 -6.701 0.716 8.582 1.00 43.33 O ATOM 907 CB ASP X 54 -9.280 0.083 7.906 1.00 21.32 C ATOM 908 CG ASP X 54 -10.743 -0.344 8.019 1.00 1.13 C ATOM 909 OD1 ASP X 54 -11.140 -0.734 9.105 1.00 32.35 O ATOM 910 OD2 ASP X 54 -11.440 -0.279 7.022 1.00 5.43 O ATOM 911 HA ASP X 54 -9.647 1.207 9.705 1.00 0.00 H ATOM 912 HB2 ASP X 54 -9.061 0.356 6.874 1.00 0.00 H ATOM 913 HB3 ASP X 54 -8.637 -0.744 8.206 1.00 0.00 H ATOM 914 H ASP X 54 -8.592 3.161 7.759 1.00 0.00 H ATOM 915 N PRO X 55 -7.257 1.954 10.327 1.00 21.03 N ATOM 916 CA PRO X 55 -5.868 2.055 10.862 1.00 21.34 C ATOM 917 C PRO X 55 -5.260 0.663 11.049 1.00 33.41 C ATOM 918 O PRO X 55 -4.292 0.300 10.408 1.00 61.14 O ATOM 919 CB PRO X 55 -6.047 2.754 12.219 1.00 62.42 C ATOM 920 CG PRO X 55 -7.499 2.617 12.537 1.00 42.13 C ATOM 921 CD PRO X 55 -8.229 2.670 11.199 1.00 2.25 C ATOM 922 HA PRO X 55 -5.196 2.595 10.194 1.00 0.00 H ATOM 923 HD3 PRO X 55 -9.187 2.152 11.243 1.00 0.00 H ATOM 924 HD2 PRO X 55 -8.387 3.696 10.867 1.00 0.00 H ATOM 925 HG3 PRO X 55 -7.825 3.435 13.179 1.00 0.00 H ATOM 926 HG2 PRO X 55 -7.690 1.667 13.036 1.00 0.00 H ATOM 927 HB2 PRO X 55 -5.440 2.269 12.983 1.00 0.00 H ATOM 928 HB3 PRO X 55 -5.768 3.805 12.148 1.00 0.00 H ATOM 929 N GLU X 56 -5.839 -0.125 11.910 1.00 63.51 N ATOM 930 CA GLU X 56 -5.339 -1.511 12.103 1.00 3.53 C ATOM 931 C GLU X 56 -4.542 -1.920 10.862 1.00 54.40 C ATOM 932 O GLU X 56 -3.356 -2.184 10.929 1.00 23.54 O ATOM 933 CB GLU X 56 -6.531 -2.454 12.280 1.00 51.32 C ATOM 934 CG GLU X 56 -7.223 -2.157 13.615 1.00 74.14 C ATOM 935 CD GLU X 56 -8.458 -3.052 13.762 1.00 65.41 C ATOM 936 OE1 GLU X 56 -8.716 -3.828 12.858 1.00 33.24 O ATOM 937 OE2 GLU X 56 -9.125 -2.947 14.780 1.00 42.24 O ATOM 938 HA GLU X 56 -4.702 -1.564 12.986 1.00 0.00 H ATOM 939 HB2 GLU X 56 -7.237 -2.305 11.463 1.00 0.00 H ATOM 940 HB3 GLU X 56 -6.182 -3.487 12.273 1.00 0.00 H ATOM 941 HG2 GLU X 56 -6.532 -2.354 14.434 1.00 0.00 H ATOM 942 HG3 GLU X 56 -7.527 -1.111 13.642 1.00 0.00 H ATOM 943 H GLU X 56 -6.651 0.216 12.462 1.00 0.00 H ATOM 944 N ARG X 57 -5.186 -1.957 9.729 1.00 42.50 N ATOM 945 CA ARG X 57 -4.476 -2.325 8.468 1.00 23.52 C ATOM 946 C ARG X 57 -3.220 -1.466 8.338 1.00 42.32 C ATOM 947 O ARG X 57 -2.137 -1.962 8.100 1.00 23.12 O ATOM 948 CB ARG X 57 -5.407 -2.067 7.278 1.00 61.41 C ATOM 949 CG ARG X 57 -6.032 -3.377 6.783 1.00 31.52 C ATOM 950 CD ARG X 57 -5.108 -4.055 5.782 1.00 25.44 C ATOM 951 NE ARG X 57 -4.886 -3.150 4.609 1.00 35.13 N ATOM 952 CZ ARG X 57 -3.863 -3.354 3.813 1.00 34.15 C ATOM 953 NH1 ARG X 57 -2.966 -4.255 4.116 1.00 23.23 N ATOM 954 NH2 ARG X 57 -3.721 -2.643 2.726 1.00 33.11 N ATOM 955 HA ARG X 57 -4.195 -3.378 8.486 1.00 0.00 H ATOM 956 HB2 ARG X 57 -6.200 -1.386 7.585 1.00 0.00 H ATOM 957 HB3 ARG X 57 -4.835 -1.615 6.468 1.00 0.00 H ATOM 958 HG2 ARG X 57 -6.194 -4.042 7.631 1.00 0.00 H ATOM 959 HG3 ARG X 57 -6.987 -3.162 6.304 1.00 0.00 H ATOM 960 HD2 ARG X 57 -5.562 -4.986 5.442 1.00 0.00 H ATOM 961 HD3 ARG X 57 -4.152 -4.272 6.259 1.00 0.00 H ATOM 962 HE ARG X 57 -5.540 -2.363 4.426 1.00 0.00 H ATOM 963 HH12 ARG X 57 -2.156 -4.415 3.484 1.00 0.00 H ATOM 964 HH11 ARG X 57 -3.062 -4.812 4.989 1.00 0.00 H ATOM 965 HH22 ARG X 57 -2.908 -2.809 2.099 1.00 0.00 H ATOM 966 HH21 ARG X 57 -4.421 -1.911 2.488 1.00 0.00 H ATOM 967 H ARG X 57 -6.200 -1.729 9.703 1.00 0.00 H ATOM 968 N GLU X 58 -3.358 -0.178 8.508 1.00 10.34 N ATOM 969 CA GLU X 58 -2.176 0.723 8.403 1.00 43.15 C ATOM 970 C GLU X 58 -1.142 0.306 9.457 1.00 1.52 C ATOM 971 O GLU X 58 0.046 0.278 9.198 1.00 40.32 O ATOM 972 CB GLU X 58 -2.615 2.170 8.649 1.00 11.53 C ATOM 973 CG GLU X 58 -3.398 2.682 7.435 1.00 4.04 C ATOM 974 CD GLU X 58 -4.807 2.084 7.445 1.00 53.24 C ATOM 975 OE1 GLU X 58 -4.954 0.953 7.009 1.00 11.11 O ATOM 976 OE2 GLU X 58 -5.714 2.766 7.888 1.00 11.33 O ATOM 977 HA GLU X 58 -1.736 0.649 7.408 1.00 0.00 H ATOM 978 HB2 GLU X 58 -3.249 2.212 9.534 1.00 0.00 H ATOM 979 HB3 GLU X 58 -1.736 2.795 8.804 1.00 0.00 H ATOM 980 HG2 GLU X 58 -3.464 3.769 7.478 1.00 0.00 H ATOM 981 HG3 GLU X 58 -2.884 2.386 6.520 1.00 0.00 H ATOM 982 H GLU X 58 -4.296 0.220 8.717 1.00 0.00 H ATOM 983 N LYS X 59 -1.587 -0.033 10.640 1.00 31.41 N ATOM 984 CA LYS X 59 -0.634 -0.459 11.706 1.00 23.11 C ATOM 985 C LYS X 59 0.052 -1.754 11.256 1.00 32.34 C ATOM 986 O LYS X 59 1.246 -1.925 11.402 1.00 74.50 O ATOM 987 CB LYS X 59 -1.402 -0.712 13.014 1.00 70.02 C ATOM 988 CG LYS X 59 -2.011 0.601 13.528 1.00 55.05 C ATOM 989 CD LYS X 59 -0.964 1.377 14.334 1.00 62.22 C ATOM 990 CE LYS X 59 -0.846 0.776 15.737 1.00 50.01 C ATOM 991 NZ LYS X 59 -0.271 1.789 16.669 1.00 3.40 N ATOM 992 HA LYS X 59 0.109 0.320 11.875 1.00 0.00 H ATOM 993 HB2 LYS X 59 -2.199 -1.433 12.831 1.00 0.00 H ATOM 994 HB3 LYS X 59 -0.718 -1.111 13.763 1.00 0.00 H ATOM 995 HG2 LYS X 59 -2.337 1.205 12.681 1.00 0.00 H ATOM 996 HG3 LYS X 59 -2.867 0.378 14.165 1.00 0.00 H ATOM 997 HD2 LYS X 59 0.001 1.315 13.830 1.00 0.00 H ATOM 998 HD3 LYS X 59 -1.266 2.421 14.411 1.00 0.00 H ATOM 999 HE2 LYS X 59 -0.195 -0.098 15.704 1.00 0.00 H ATOM 1000 HE3 LYS X 59 -1.834 0.479 16.089 1.00 0.00 H ATOM 1001 HZ1 LYS X 59 0.672 2.072 16.333 1.00 0.00 H ATOM 1002 HZ2 LYS X 59 -0.893 2.622 16.700 1.00 0.00 H ATOM 1003 HZ3 LYS X 59 -0.192 1.377 17.621 1.00 0.00 H ATOM 1004 H LYS X 59 -2.608 -0.005 10.838 1.00 0.00 H ATOM 1005 N TYR X 60 -0.710 -2.663 10.699 1.00 42.01 N ATOM 1006 CA TYR X 60 -0.131 -3.953 10.219 1.00 51.15 C ATOM 1007 C TYR X 60 0.971 -3.658 9.196 1.00 2.02 C ATOM 1008 O TYR X 60 2.028 -4.255 9.215 1.00 64.33 O ATOM 1009 CB TYR X 60 -1.245 -4.786 9.571 1.00 13.51 C ATOM 1010 CG TYR X 60 -0.665 -6.011 8.899 1.00 65.44 C ATOM 1011 CD1 TYR X 60 -0.514 -7.201 9.623 1.00 14.42 C ATOM 1012 CD2 TYR X 60 -0.295 -5.961 7.549 1.00 34.21 C ATOM 1013 CE1 TYR X 60 0.009 -8.340 8.998 1.00 20.13 C ATOM 1014 CE2 TYR X 60 0.230 -7.100 6.925 1.00 73.12 C ATOM 1015 CZ TYR X 60 0.382 -8.289 7.650 1.00 21.11 C ATOM 1016 OH TYR X 60 0.899 -9.411 7.033 1.00 20.33 O ATOM 1017 HA TYR X 60 0.297 -4.510 11.052 1.00 0.00 H ATOM 1018 HB3 TYR X 60 -1.762 -4.179 8.828 1.00 0.00 H ATOM 1019 HB2 TYR X 60 -1.953 -5.098 10.339 1.00 0.00 H ATOM 1020 HD2 TYR X 60 -0.415 -5.036 6.984 1.00 0.00 H ATOM 1021 HE2 TYR X 60 0.520 -7.061 5.875 1.00 0.00 H ATOM 1022 HE1 TYR X 60 0.126 -9.266 9.561 1.00 0.00 H ATOM 1023 HD1 TYR X 60 -0.804 -7.240 10.673 1.00 0.00 H ATOM 1024 HH TYR X 60 0.938 -10.156 7.684 1.00 0.00 H ATOM 1025 H TYR X 60 -1.729 -2.484 10.590 1.00 0.00 H ATOM 1026 N ILE X 61 0.729 -2.725 8.311 1.00 15.44 N ATOM 1027 CA ILE X 61 1.756 -2.376 7.282 1.00 42.41 C ATOM 1028 C ILE X 61 2.998 -1.810 7.983 1.00 21.11 C ATOM 1029 O ILE X 61 4.119 -2.126 7.634 1.00 23.35 O ATOM 1030 CB ILE X 61 1.190 -1.313 6.338 1.00 73.44 C ATOM 1031 CG1 ILE X 61 0.252 -1.965 5.311 1.00 2.41 C ATOM 1032 CG2 ILE X 61 2.340 -0.611 5.617 1.00 0.51 C ATOM 1033 CD1 ILE X 61 1.065 -2.535 4.145 1.00 15.23 C ATOM 1034 HA ILE X 61 2.022 -3.268 6.715 1.00 0.00 H ATOM 1035 HB ILE X 61 0.624 -0.583 6.917 1.00 0.00 H ATOM 1036 HG12 ILE X 61 -0.305 -2.770 5.791 1.00 0.00 H ATOM 1037 HG13 ILE X 61 -0.446 -1.217 4.933 1.00 0.00 H ATOM 1038 HD11 ILE X 61 1.621 -1.730 3.663 1.00 0.00 H ATOM 1039 HD12 ILE X 61 1.761 -3.284 4.521 1.00 0.00 H ATOM 1040 HD13 ILE X 61 0.390 -2.995 3.423 1.00 0.00 H ATOM 1041 HG21 ILE X 61 2.992 -0.137 6.351 1.00 0.00 H ATOM 1042 HG22 ILE X 61 2.908 -1.343 5.043 1.00 0.00 H ATOM 1043 HG23 ILE X 61 1.937 0.146 4.944 1.00 0.00 H ATOM 1044 H ILE X 61 -0.182 -2.224 8.323 1.00 0.00 H ATOM 1045 N TYR X 62 2.804 -0.976 8.974 1.00 12.33 N ATOM 1046 CA TYR X 62 3.966 -0.368 9.683 1.00 32.53 C ATOM 1047 C TYR X 62 4.928 -1.483 10.108 1.00 31.32 C ATOM 1048 O TYR X 62 6.125 -1.396 9.909 1.00 63.12 O ATOM 1049 CB TYR X 62 3.468 0.391 10.925 1.00 13.11 C ATOM 1050 CG TYR X 62 3.128 1.820 10.552 1.00 61.33 C ATOM 1051 CD1 TYR X 62 2.430 2.086 9.367 1.00 75.34 C ATOM 1052 CD2 TYR X 62 3.519 2.878 11.384 1.00 44.50 C ATOM 1053 CE1 TYR X 62 2.119 3.406 9.014 1.00 22.40 C ATOM 1054 CE2 TYR X 62 3.210 4.199 11.029 1.00 2.24 C ATOM 1055 CZ TYR X 62 2.510 4.462 9.844 1.00 0.03 C ATOM 1056 OH TYR X 62 2.207 5.763 9.494 1.00 34.21 O ATOM 1057 HA TYR X 62 4.482 0.329 9.022 1.00 0.00 H ATOM 1058 HB3 TYR X 62 4.248 0.391 11.686 1.00 0.00 H ATOM 1059 HB2 TYR X 62 2.579 -0.102 11.318 1.00 0.00 H ATOM 1060 HD2 TYR X 62 4.063 2.674 12.306 1.00 0.00 H ATOM 1061 HE2 TYR X 62 3.515 5.022 11.676 1.00 0.00 H ATOM 1062 HE1 TYR X 62 1.573 3.610 8.093 1.00 0.00 H ATOM 1063 HD1 TYR X 62 2.128 1.264 8.718 1.00 0.00 H ATOM 1064 HH TYR X 62 1.714 5.766 8.635 1.00 0.00 H ATOM 1065 H TYR X 62 1.835 -0.737 9.268 1.00 0.00 H ATOM 1066 N ASP X 63 4.410 -2.530 10.689 1.00 1.25 N ATOM 1067 CA ASP X 63 5.276 -3.660 11.125 1.00 21.15 C ATOM 1068 C ASP X 63 5.821 -4.385 9.890 1.00 72.11 C ATOM 1069 O ASP X 63 6.908 -4.931 9.908 1.00 13.14 O ATOM 1070 CB ASP X 63 4.439 -4.630 11.969 1.00 3.44 C ATOM 1071 CG ASP X 63 5.361 -5.595 12.720 1.00 15.21 C ATOM 1072 OD1 ASP X 63 6.138 -5.120 13.534 1.00 33.55 O ATOM 1073 OD2 ASP X 63 5.279 -6.783 12.469 1.00 24.11 O ATOM 1074 HA ASP X 63 6.110 -3.285 11.718 1.00 0.00 H ATOM 1075 HB2 ASP X 63 3.845 -4.065 12.687 1.00 0.00 H ATOM 1076 HB3 ASP X 63 3.775 -5.197 11.317 1.00 0.00 H ATOM 1077 H ASP X 63 3.383 -2.576 10.849 1.00 0.00 H ATOM 1078 N ARG X 64 5.069 -4.389 8.814 1.00 42.41 N ATOM 1079 CA ARG X 64 5.519 -5.087 7.567 1.00 71.21 C ATOM 1080 C ARG X 64 6.711 -4.338 6.963 1.00 62.30 C ATOM 1081 O ARG X 64 7.712 -4.926 6.601 1.00 72.05 O ATOM 1082 CB ARG X 64 4.361 -5.120 6.548 1.00 20.55 C ATOM 1083 CG ARG X 64 4.786 -5.912 5.299 1.00 10.10 C ATOM 1084 CD ARG X 64 4.752 -7.419 5.599 1.00 10.04 C ATOM 1085 NE ARG X 64 6.106 -8.021 5.304 1.00 70.41 N ATOM 1086 CZ ARG X 64 6.352 -9.262 5.551 1.00 4.21 C ATOM 1087 NH1 ARG X 64 5.402 -9.989 6.009 1.00 44.51 N ATOM 1088 NH2 ARG X 64 7.547 -9.771 5.323 1.00 22.00 N ATOM 1089 HA ARG X 64 5.817 -6.107 7.810 1.00 0.00 H ATOM 1090 HB2 ARG X 64 3.493 -5.598 7.002 1.00 0.00 H ATOM 1091 HB3 ARG X 64 4.103 -4.101 6.260 1.00 0.00 H ATOM 1092 HG2 ARG X 64 4.102 -5.691 4.480 1.00 0.00 H ATOM 1093 HG3 ARG X 64 5.797 -5.623 5.014 1.00 0.00 H ATOM 1094 HD2 ARG X 64 3.997 -7.897 4.975 1.00 0.00 H ATOM 1095 HD3 ARG X 64 4.505 -7.575 6.649 1.00 0.00 H ATOM 1096 HE ARG X 64 6.853 -7.424 4.895 1.00 0.00 H ATOM 1097 HH12 ARG X 64 5.570 -10.994 6.218 1.00 0.00 H ATOM 1098 HH11 ARG X 64 4.462 -9.574 6.172 1.00 0.00 H ATOM 1099 HH22 ARG X 64 7.733 -10.774 5.527 1.00 0.00 H ATOM 1100 HH21 ARG X 64 8.304 -9.170 4.940 1.00 0.00 H ATOM 1101 H ARG X 64 4.150 -3.902 8.827 1.00 0.00 H ATOM 1102 N ILE X 65 6.608 -3.041 6.853 1.00 3.24 N ATOM 1103 CA ILE X 65 7.727 -2.247 6.264 1.00 11.14 C ATOM 1104 C ILE X 65 8.984 -2.381 7.138 1.00 50.21 C ATOM 1105 O ILE X 65 10.085 -2.496 6.638 1.00 52.03 O ATOM 1106 CB ILE X 65 7.327 -0.769 6.189 1.00 24.12 C ATOM 1107 CG1 ILE X 65 6.013 -0.610 5.408 1.00 43.33 C ATOM 1108 CG2 ILE X 65 8.433 0.025 5.491 1.00 0.41 C ATOM 1109 CD1 ILE X 65 6.108 -1.322 4.055 1.00 75.14 C ATOM 1110 HA ILE X 65 7.938 -2.625 5.263 1.00 0.00 H ATOM 1111 HB ILE X 65 7.185 -0.391 7.201 1.00 0.00 H ATOM 1112 HG12 ILE X 65 5.196 -1.043 5.986 1.00 0.00 H ATOM 1113 HG13 ILE X 65 5.818 0.450 5.244 1.00 0.00 H ATOM 1114 HD11 ILE X 65 6.922 -0.889 3.474 1.00 0.00 H ATOM 1115 HD12 ILE X 65 6.300 -2.383 4.217 1.00 0.00 H ATOM 1116 HD13 ILE X 65 5.169 -1.200 3.515 1.00 0.00 H ATOM 1117 HG21 ILE X 65 9.360 -0.073 6.056 1.00 0.00 H ATOM 1118 HG22 ILE X 65 8.577 -0.364 4.483 1.00 0.00 H ATOM 1119 HG23 ILE X 65 8.147 1.075 5.439 1.00 0.00 H ATOM 1120 H ILE X 65 5.745 -2.560 7.176 1.00 0.00 H ATOM 1121 N ARG X 66 8.828 -2.360 8.438 1.00 53.23 N ATOM 1122 CA ARG X 66 10.015 -2.466 9.340 1.00 11.54 C ATOM 1123 C ARG X 66 10.784 -3.762 9.036 1.00 3.41 C ATOM 1124 O ARG X 66 12.000 -3.785 9.009 1.00 51.11 O ATOM 1125 CB ARG X 66 9.562 -2.491 10.811 1.00 73.53 C ATOM 1126 CG ARG X 66 9.063 -1.105 11.243 1.00 51.42 C ATOM 1127 CD ARG X 66 8.555 -1.175 12.685 1.00 62.11 C ATOM 1128 NE ARG X 66 9.690 -1.531 13.621 1.00 53.32 N ATOM 1129 CZ ARG X 66 9.518 -1.606 14.894 1.00 21.12 C ATOM 1130 NH1 ARG X 66 8.334 -1.474 15.377 1.00 55.34 N ATOM 1131 NH2 ARG X 66 10.538 -1.843 15.693 1.00 13.23 N ATOM 1132 HA ARG X 66 10.659 -1.603 9.171 1.00 0.00 H ATOM 1133 HB2 ARG X 66 8.755 -3.215 10.926 1.00 0.00 H ATOM 1134 HB3 ARG X 66 10.403 -2.782 11.441 1.00 0.00 H ATOM 1135 HG2 ARG X 66 9.881 -0.387 11.180 1.00 0.00 H ATOM 1136 HG3 ARG X 66 8.252 -0.789 10.586 1.00 0.00 H ATOM 1137 HD2 ARG X 66 7.777 -1.935 12.757 1.00 0.00 H ATOM 1138 HD3 ARG X 66 8.143 -0.207 12.970 1.00 0.00 H ATOM 1139 HE ARG X 66 10.633 -1.720 13.225 1.00 0.00 H ATOM 1140 HH12 ARG X 66 8.182 -1.533 16.404 1.00 0.00 H ATOM 1141 HH11 ARG X 66 7.528 -1.309 14.741 1.00 0.00 H ATOM 1142 HH22 ARG X 66 10.391 -1.902 16.721 1.00 0.00 H ATOM 1143 HH21 ARG X 66 11.491 -1.971 15.296 1.00 0.00 H ATOM 1144 H ARG X 66 7.875 -2.269 8.844 1.00 0.00 H ATOM 1145 N LYS X 67 10.082 -4.843 8.814 1.00 23.21 N ATOM 1146 CA LYS X 67 10.763 -6.147 8.538 1.00 24.41 C ATOM 1147 C LYS X 67 11.543 -6.050 7.220 1.00 70.53 C ATOM 1148 O LYS X 67 12.715 -6.366 7.161 1.00 45.21 O ATOM 1149 CB LYS X 67 9.708 -7.259 8.444 1.00 33.51 C ATOM 1150 CG LYS X 67 10.386 -8.622 8.253 1.00 70.43 C ATOM 1151 CD LYS X 67 9.320 -9.727 8.249 1.00 74.23 C ATOM 1152 CE LYS X 67 9.985 -11.096 8.063 1.00 53.22 C ATOM 1153 NZ LYS X 67 8.953 -12.172 8.140 1.00 44.15 N ATOM 1154 HA LYS X 67 11.458 -6.378 9.345 1.00 0.00 H ATOM 1155 HB2 LYS X 67 9.120 -7.275 9.361 1.00 0.00 H ATOM 1156 HB3 LYS X 67 9.052 -7.062 7.596 1.00 0.00 H ATOM 1157 HG2 LYS X 67 10.923 -8.631 7.305 1.00 0.00 H ATOM 1158 HG3 LYS X 67 11.088 -8.797 9.068 1.00 0.00 H ATOM 1159 HD2 LYS X 67 8.781 -9.713 9.196 1.00 0.00 H ATOM 1160 HD3 LYS X 67 8.620 -9.551 7.432 1.00 0.00 H ATOM 1161 HE2 LYS X 67 10.727 -11.248 8.847 1.00 0.00 H ATOM 1162 HE3 LYS X 67 10.474 -11.132 7.090 1.00 0.00 H ATOM 1163 HZ1 LYS X 67 8.487 -12.138 9.069 1.00 0.00 H ATOM 1164 HZ2 LYS X 67 8.246 -12.027 7.391 1.00 0.00 H ATOM 1165 HZ3 LYS X 67 9.409 -13.098 8.013 1.00 0.00 H ATOM 1166 H LYS X 67 9.043 -4.796 8.829 1.00 0.00 H ATOM 1167 N LEU X 68 10.908 -5.609 6.167 1.00 31.43 N ATOM 1168 CA LEU X 68 11.621 -5.492 4.860 1.00 72.03 C ATOM 1169 C LEU X 68 12.708 -4.418 4.978 1.00 42.20 C ATOM 1170 O LEU X 68 13.737 -4.485 4.335 1.00 42.12 O ATOM 1171 CB LEU X 68 10.636 -5.074 3.764 1.00 20.21 C ATOM 1172 CG LEU X 68 9.603 -6.176 3.513 1.00 64.23 C ATOM 1173 CD1 LEU X 68 8.469 -5.604 2.658 1.00 74.35 C ATOM 1174 CD2 LEU X 68 10.251 -7.344 2.767 1.00 40.12 C ATOM 1175 HA LEU X 68 12.063 -6.455 4.605 1.00 0.00 H ATOM 1176 HB2 LEU X 68 10.121 -4.165 4.074 1.00 0.00 H ATOM 1177 HB3 LEU X 68 11.186 -4.883 2.843 1.00 0.00 H ATOM 1178 HG LEU X 68 9.216 -6.533 4.467 1.00 0.00 H ATOM 1179 HD21 LEU X 68 10.639 -6.992 1.811 1.00 0.00 H ATOM 1180 HD22 LEU X 68 11.067 -7.748 3.366 1.00 0.00 H ATOM 1181 HD23 LEU X 68 9.506 -8.121 2.594 1.00 0.00 H ATOM 1182 HD11 LEU X 68 8.002 -4.772 3.186 1.00 0.00 H ATOM 1183 HD12 LEU X 68 8.873 -5.253 1.709 1.00 0.00 H ATOM 1184 HD13 LEU X 68 7.727 -6.381 2.473 1.00 0.00 H ATOM 1185 H LEU X 68 9.906 -5.339 6.239 1.00 0.00 H ATOM 1186 N CYS X 69 12.478 -3.419 5.790 1.00 1.33 N ATOM 1187 CA CYS X 69 13.478 -2.320 5.936 1.00 64.55 C ATOM 1188 C CYS X 69 14.817 -2.900 6.396 1.00 14.44 C ATOM 1189 O CYS X 69 15.850 -2.650 5.803 1.00 34.45 O ATOM 1190 CB CYS X 69 12.976 -1.311 6.971 1.00 2.02 C ATOM 1191 SG CYS X 69 11.917 -0.089 6.155 1.00 62.31 S ATOM 1192 HA CYS X 69 13.612 -1.822 4.976 1.00 0.00 H ATOM 1193 HB2 CYS X 69 13.826 -0.807 7.430 1.00 0.00 H ATOM 1194 HB3 CYS X 69 12.405 -1.832 7.740 1.00 0.00 H ATOM 1195 HG CYS X 69 10.841 -0.729 5.575 1.00 0.00 H ATOM 1196 H CYS X 69 11.594 -3.390 6.337 1.00 0.00 H ATOM 1197 N LYS X 70 14.807 -3.674 7.446 1.00 70.53 N ATOM 1198 CA LYS X 70 16.076 -4.274 7.945 1.00 4.10 C ATOM 1199 C LYS X 70 16.625 -5.246 6.895 1.00 62.34 C ATOM 1200 O LYS X 70 17.821 -5.394 6.734 1.00 74.54 O ATOM 1201 CB LYS X 70 15.807 -5.044 9.241 1.00 65.10 C ATOM 1202 CG LYS X 70 15.886 -4.100 10.448 1.00 11.24 C ATOM 1203 CD LYS X 70 14.949 -2.908 10.240 1.00 42.51 C ATOM 1204 CE LYS X 70 14.907 -2.063 11.519 1.00 24.42 C ATOM 1205 NZ LYS X 70 16.204 -1.347 11.685 1.00 61.00 N ATOM 1206 HA LYS X 70 16.799 -3.480 8.133 1.00 0.00 H ATOM 1207 HB2 LYS X 70 14.813 -5.488 9.196 1.00 0.00 H ATOM 1208 HB3 LYS X 70 16.551 -5.833 9.352 1.00 0.00 H ATOM 1209 HG2 LYS X 70 15.591 -4.639 11.348 1.00 0.00 H ATOM 1210 HG3 LYS X 70 16.909 -3.741 10.560 1.00 0.00 H ATOM 1211 HD2 LYS X 70 15.314 -2.299 9.413 1.00 0.00 H ATOM 1212 HD3 LYS X 70 13.947 -3.269 10.009 1.00 0.00 H ATOM 1213 HE2 LYS X 70 14.737 -2.712 12.378 1.00 0.00 H ATOM 1214 HE3 LYS X 70 14.097 -1.337 11.448 1.00 0.00 H ATOM 1215 HZ1 LYS X 70 16.976 -2.041 11.753 1.00 0.00 H ATOM 1216 HZ2 LYS X 70 16.364 -0.728 10.865 1.00 0.00 H ATOM 1217 HZ3 LYS X 70 16.174 -0.774 12.553 1.00 0.00 H ATOM 1218 H LYS X 70 13.911 -3.873 7.936 1.00 0.00 H ATOM 1219 N GLU X 71 15.756 -5.919 6.187 1.00 24.24 N ATOM 1220 CA GLU X 71 16.216 -6.925 5.182 1.00 14.11 C ATOM 1221 C GLU X 71 17.186 -6.282 4.183 1.00 54.03 C ATOM 1222 O GLU X 71 18.356 -6.606 4.149 1.00 1.11 O ATOM 1223 CB GLU X 71 15.011 -7.469 4.412 1.00 61.12 C ATOM 1224 CG GLU X 71 14.231 -8.447 5.288 1.00 64.43 C ATOM 1225 CD GLU X 71 15.043 -9.730 5.475 1.00 22.04 C ATOM 1226 OE1 GLU X 71 15.904 -9.987 4.651 1.00 55.33 O ATOM 1227 OE2 GLU X 71 14.791 -10.433 6.440 1.00 50.20 O ATOM 1228 HA GLU X 71 16.723 -7.732 5.710 1.00 0.00 H ATOM 1229 HB2 GLU X 71 14.361 -6.642 4.127 1.00 0.00 H ATOM 1230 HB3 GLU X 71 15.357 -7.984 3.516 1.00 0.00 H ATOM 1231 HG2 GLU X 71 14.042 -7.992 6.260 1.00 0.00 H ATOM 1232 HG3 GLU X 71 13.281 -8.685 4.809 1.00 0.00 H ATOM 1233 H GLU X 71 14.738 -5.753 6.324 1.00 0.00 H ATOM 1234 N HIS X 72 16.707 -5.390 3.358 1.00 34.31 N ATOM 1235 CA HIS X 72 17.596 -4.772 2.332 1.00 40.10 C ATOM 1236 C HIS X 72 18.406 -3.634 2.965 1.00 21.44 C ATOM 1237 O HIS X 72 19.150 -2.944 2.296 1.00 41.44 O ATOM 1238 CB HIS X 72 16.741 -4.227 1.187 1.00 73.40 C ATOM 1239 CG HIS X 72 15.571 -3.458 1.744 1.00 41.11 C ATOM 1240 ND1 HIS X 72 15.682 -2.141 2.169 1.00 23.33 N ATOM 1241 CD2 HIS X 72 14.257 -3.807 1.946 1.00 42.33 C ATOM 1242 CE1 HIS X 72 14.468 -1.749 2.600 1.00 1.21 C ATOM 1243 NE2 HIS X 72 13.568 -2.726 2.485 1.00 35.23 N ATOM 1244 HA HIS X 72 18.285 -5.523 1.945 1.00 0.00 H ATOM 1245 HB2 HIS X 72 17.346 -3.566 0.566 1.00 0.00 H ATOM 1246 HB3 HIS X 72 16.374 -5.057 0.582 1.00 0.00 H ATOM 1247 HD2 HIS X 72 13.822 -4.780 1.719 1.00 0.00 H ATOM 1248 HE1 HIS X 72 14.248 -0.757 2.994 1.00 0.00 H ATOM 1249 H HIS X 72 15.707 -5.111 3.416 1.00 0.00 H ATOM 1250 N ASN X 73 18.269 -3.436 4.247 1.00 62.51 N ATOM 1251 CA ASN X 73 19.050 -2.362 4.934 1.00 40.03 C ATOM 1252 C ASN X 73 19.162 -1.138 4.025 1.00 50.53 C ATOM 1253 O ASN X 73 20.188 -0.488 3.974 1.00 20.41 O ATOM 1254 CB ASN X 73 20.454 -2.884 5.255 1.00 32.24 C ATOM 1255 CG ASN X 73 21.155 -1.881 6.176 1.00 52.32 C ATOM 1256 OD1 ASN X 73 21.926 -1.055 5.728 1.00 43.45 O ATOM 1257 ND2 ASN X 73 20.933 -1.930 7.465 1.00 2.51 N ATOM 1258 HA ASN X 73 18.540 -2.080 5.855 1.00 0.00 H ATOM 1259 HB2 ASN X 73 20.381 -3.850 5.754 1.00 0.00 H ATOM 1260 HB3 ASN X 73 21.024 -2.995 4.332 1.00 0.00 H ATOM 1261 HD22 ASN X 73 20.274 -2.635 7.853 1.00 0.00 H ATOM 1262 HD21 ASN X 73 21.415 -1.264 8.101 1.00 0.00 H ATOM 1263 H ASN X 73 17.613 -4.029 4.794 1.00 0.00 H ATOM 1264 N VAL X 74 18.126 -0.815 3.309 1.00 63.43 N ATOM 1265 CA VAL X 74 18.180 0.391 2.437 1.00 33.33 C ATOM 1266 C VAL X 74 18.005 1.647 3.297 1.00 70.51 C ATOM 1267 O VAL X 74 18.686 2.636 3.116 1.00 55.11 O ATOM 1268 CB VAL X 74 17.062 0.315 1.397 1.00 14.40 C ATOM 1269 CG1 VAL X 74 16.948 1.652 0.664 1.00 64.23 C ATOM 1270 CG2 VAL X 74 17.377 -0.792 0.390 1.00 4.12 C ATOM 1271 HA VAL X 74 19.143 0.434 1.928 1.00 0.00 H ATOM 1272 HB VAL X 74 16.119 0.096 1.897 1.00 0.00 H ATOM 1273 HG11 VAL X 74 16.721 2.440 1.382 1.00 0.00 H ATOM 1274 HG12 VAL X 74 17.892 1.873 0.165 1.00 0.00 H ATOM 1275 HG13 VAL X 74 16.150 1.592 -0.076 1.00 0.00 H ATOM 1276 HG21 VAL X 74 18.322 -0.571 -0.107 1.00 0.00 H ATOM 1277 HG22 VAL X 74 17.454 -1.746 0.912 1.00 0.00 H ATOM 1278 HG23 VAL X 74 16.579 -0.845 -0.351 1.00 0.00 H ATOM 1279 H VAL X 74 17.264 -1.396 3.345 1.00 0.00 H ATOM 1280 N ASP X 75 17.100 1.610 4.242 1.00 3.11 N ATOM 1281 CA ASP X 75 16.881 2.800 5.114 1.00 25.14 C ATOM 1282 C ASP X 75 16.042 2.408 6.335 1.00 1.24 C ATOM 1283 O ASP X 75 15.889 1.244 6.649 1.00 61.21 O ATOM 1284 CB ASP X 75 16.157 3.891 4.323 1.00 42.25 C ATOM 1285 CG ASP X 75 14.765 3.398 3.915 1.00 44.35 C ATOM 1286 OD1 ASP X 75 14.477 2.238 4.148 1.00 62.30 O ATOM 1287 OD2 ASP X 75 14.011 4.194 3.377 1.00 0.10 O ATOM 1288 HA ASP X 75 17.847 3.176 5.451 1.00 0.00 H ATOM 1289 HB2 ASP X 75 16.058 4.783 4.942 1.00 0.00 H ATOM 1290 HB3 ASP X 75 16.732 4.133 3.429 1.00 0.00 H ATOM 1291 H ASP X 75 16.533 0.750 4.385 1.00 0.00 H ATOM 1292 N GLU X 76 15.502 3.379 7.029 1.00 41.45 N ATOM 1293 CA GLU X 76 14.673 3.068 8.232 1.00 23.33 C ATOM 1294 C GLU X 76 13.469 4.014 8.298 1.00 42.04 C ATOM 1295 O GLU X 76 12.435 3.764 7.711 1.00 14.43 O ATOM 1296 CB GLU X 76 15.522 3.249 9.494 1.00 54.01 C ATOM 1297 CG GLU X 76 14.700 2.857 10.723 1.00 62.45 C ATOM 1298 CD GLU X 76 15.571 2.970 11.979 1.00 52.23 C ATOM 1299 OE1 GLU X 76 16.778 3.063 11.831 1.00 11.55 O ATOM 1300 OE2 GLU X 76 15.017 2.960 13.066 1.00 25.52 O ATOM 1301 HA GLU X 76 14.320 2.039 8.165 1.00 0.00 H ATOM 1302 HB2 GLU X 76 16.407 2.615 9.431 1.00 0.00 H ATOM 1303 HB3 GLU X 76 15.829 4.291 9.579 1.00 0.00 H ATOM 1304 HG2 GLU X 76 13.842 3.524 10.814 1.00 0.00 H ATOM 1305 HG3 GLU X 76 14.351 1.830 10.614 1.00 0.00 H ATOM 1306 H GLU X 76 15.651 4.368 6.742 1.00 0.00 H ATOM 1307 N ASN X 77 13.593 5.092 9.027 1.00 10.10 N ATOM 1308 CA ASN X 77 12.456 6.051 9.160 1.00 15.13 C ATOM 1309 C ASN X 77 12.067 6.628 7.795 1.00 23.04 C ATOM 1310 O ASN X 77 10.902 6.800 7.499 1.00 63.24 O ATOM 1311 CB ASN X 77 12.859 7.196 10.096 1.00 22.42 C ATOM 1312 CG ASN X 77 14.211 7.770 9.661 1.00 60.52 C ATOM 1313 OD1 ASN X 77 15.228 7.114 9.775 1.00 40.32 O ATOM 1314 ND2 ASN X 77 14.269 8.980 9.176 1.00 51.52 N ATOM 1315 HA ASN X 77 11.600 5.516 9.571 1.00 0.00 H ATOM 1316 HB2 ASN X 77 12.103 7.980 10.056 1.00 0.00 H ATOM 1317 HB3 ASN X 77 12.937 6.820 11.116 1.00 0.00 H ATOM 1318 HD22 ASN X 77 13.400 9.543 9.078 1.00 0.00 H ATOM 1319 HD21 ASN X 77 15.184 9.381 8.888 1.00 0.00 H ATOM 1320 H ASN X 77 14.490 5.283 9.518 1.00 0.00 H ATOM 1321 N ILE X 78 13.022 6.945 6.966 1.00 31.54 N ATOM 1322 CA ILE X 78 12.683 7.524 5.632 1.00 21.51 C ATOM 1323 C ILE X 78 11.714 6.602 4.889 1.00 53.20 C ATOM 1324 O ILE X 78 10.778 7.047 4.257 1.00 50.15 O ATOM 1325 CB ILE X 78 13.957 7.687 4.805 1.00 11.31 C ATOM 1326 CG1 ILE X 78 15.008 8.439 5.625 1.00 65.21 C ATOM 1327 CG2 ILE X 78 13.639 8.483 3.537 1.00 45.30 C ATOM 1328 CD1 ILE X 78 16.217 7.532 5.864 1.00 54.44 C ATOM 1329 HA ILE X 78 12.212 8.496 5.779 1.00 0.00 H ATOM 1330 HB ILE X 78 14.343 6.704 4.535 1.00 0.00 H ATOM 1331 HG12 ILE X 78 15.324 9.329 5.081 1.00 0.00 H ATOM 1332 HG13 ILE X 78 14.579 8.733 6.583 1.00 0.00 H ATOM 1333 HD11 ILE X 78 15.900 6.642 6.408 1.00 0.00 H ATOM 1334 HD12 ILE X 78 16.645 7.240 4.905 1.00 0.00 H ATOM 1335 HD13 ILE X 78 16.964 8.070 6.448 1.00 0.00 H ATOM 1336 HG21 ILE X 78 12.890 7.949 2.953 1.00 0.00 H ATOM 1337 HG22 ILE X 78 13.254 9.465 3.813 1.00 0.00 H ATOM 1338 HG23 ILE X 78 14.547 8.600 2.946 1.00 0.00 H ATOM 1339 H ILE X 78 14.016 6.795 7.233 1.00 0.00 H ATOM 1340 N GLY X 79 11.941 5.317 4.946 1.00 42.22 N ATOM 1341 CA GLY X 79 11.047 4.365 4.225 1.00 32.23 C ATOM 1342 C GLY X 79 9.630 4.420 4.804 1.00 22.41 C ATOM 1343 O GLY X 79 8.658 4.490 4.081 1.00 0.02 O ATOM 1344 HA3 GLY X 79 11.439 3.354 4.330 1.00 0.00 H ATOM 1345 HA2 GLY X 79 11.014 4.632 3.169 1.00 0.00 H ATOM 1346 H GLY X 79 12.747 4.957 5.495 1.00 0.00 H ATOM 1347 N ILE X 80 9.506 4.375 6.104 1.00 5.22 N ATOM 1348 CA ILE X 80 8.147 4.386 6.726 1.00 53.43 C ATOM 1349 C ILE X 80 7.419 5.695 6.392 1.00 35.43 C ATOM 1350 O ILE X 80 6.244 5.702 6.090 1.00 20.13 O ATOM 1351 CB ILE X 80 8.280 4.266 8.243 1.00 52.02 C ATOM 1352 CG1 ILE X 80 8.788 2.867 8.606 1.00 22.24 C ATOM 1353 CG2 ILE X 80 6.915 4.496 8.892 1.00 2.11 C ATOM 1354 CD1 ILE X 80 9.140 2.820 10.095 1.00 1.44 C ATOM 1355 HA ILE X 80 7.575 3.546 6.332 1.00 0.00 H ATOM 1356 HB ILE X 80 8.987 5.012 8.605 1.00 0.00 H ATOM 1357 HG12 ILE X 80 8.012 2.132 8.393 1.00 0.00 H ATOM 1358 HG13 ILE X 80 9.675 2.638 8.016 1.00 0.00 H ATOM 1359 HD11 ILE X 80 9.917 3.555 10.307 1.00 0.00 H ATOM 1360 HD12 ILE X 80 8.252 3.048 10.684 1.00 0.00 H ATOM 1361 HD13 ILE X 80 9.501 1.824 10.350 1.00 0.00 H ATOM 1362 HG21 ILE X 80 6.555 5.492 8.635 1.00 0.00 H ATOM 1363 HG22 ILE X 80 6.210 3.749 8.527 1.00 0.00 H ATOM 1364 HG23 ILE X 80 7.010 4.410 9.974 1.00 0.00 H ATOM 1365 H ILE X 80 10.353 4.332 6.706 1.00 0.00 H ATOM 1366 N LYS X 81 8.107 6.805 6.460 1.00 64.30 N ATOM 1367 CA LYS X 81 7.453 8.112 6.148 1.00 55.13 C ATOM 1368 C LYS X 81 6.880 8.102 4.722 1.00 54.33 C ATOM 1369 O LYS X 81 5.835 8.662 4.462 1.00 3.31 O ATOM 1370 CB LYS X 81 8.485 9.236 6.250 1.00 70.23 C ATOM 1371 CG LYS X 81 8.851 9.486 7.715 1.00 15.45 C ATOM 1372 CD LYS X 81 9.875 10.623 7.805 1.00 32.43 C ATOM 1373 CE LYS X 81 10.087 11.012 9.274 1.00 24.13 C ATOM 1374 NZ LYS X 81 10.625 9.840 10.026 1.00 52.33 N ATOM 1375 HA LYS X 81 6.644 8.272 6.861 1.00 0.00 H ATOM 1376 HB2 LYS X 81 9.381 8.954 5.698 1.00 0.00 H ATOM 1377 HB3 LYS X 81 8.068 10.148 5.822 1.00 0.00 H ATOM 1378 HG2 LYS X 81 7.955 9.761 8.271 1.00 0.00 H ATOM 1379 HG3 LYS X 81 9.278 8.579 8.142 1.00 0.00 H ATOM 1380 HD2 LYS X 81 10.822 10.293 7.377 1.00 0.00 H ATOM 1381 HD3 LYS X 81 9.508 11.487 7.250 1.00 0.00 H ATOM 1382 HE2 LYS X 81 9.136 11.319 9.710 1.00 0.00 H ATOM 1383 HE3 LYS X 81 10.795 11.838 9.333 1.00 0.00 H ATOM 1384 HZ1 LYS X 81 9.948 9.053 9.969 1.00 0.00 H ATOM 1385 HZ2 LYS X 81 11.532 9.549 9.609 1.00 0.00 H ATOM 1386 HZ3 LYS X 81 10.768 10.105 11.022 1.00 0.00 H ATOM 1387 H LYS X 81 9.111 6.778 6.732 1.00 0.00 H ATOM 1388 N ILE X 82 7.566 7.489 3.795 1.00 22.23 N ATOM 1389 CA ILE X 82 7.068 7.461 2.386 1.00 74.43 C ATOM 1390 C ILE X 82 5.771 6.642 2.283 1.00 33.03 C ATOM 1391 O ILE X 82 4.832 7.034 1.619 1.00 10.32 O ATOM 1392 CB ILE X 82 8.133 6.817 1.504 1.00 31.30 C ATOM 1393 CG1 ILE X 82 9.359 7.731 1.436 1.00 71.33 C ATOM 1394 CG2 ILE X 82 7.569 6.611 0.094 1.00 42.12 C ATOM 1395 CD1 ILE X 82 10.522 6.983 0.778 1.00 12.50 C ATOM 1396 HA ILE X 82 6.863 8.481 2.062 1.00 0.00 H ATOM 1397 HB ILE X 82 8.422 5.854 1.924 1.00 0.00 H ATOM 1398 HG12 ILE X 82 9.119 8.617 0.849 1.00 0.00 H ATOM 1399 HG13 ILE X 82 9.644 8.031 2.444 1.00 0.00 H ATOM 1400 HD11 ILE X 82 10.762 6.097 1.366 1.00 0.00 H ATOM 1401 HD12 ILE X 82 10.236 6.684 -0.230 1.00 0.00 H ATOM 1402 HD13 ILE X 82 11.393 7.637 0.731 1.00 0.00 H ATOM 1403 HG21 ILE X 82 6.696 5.961 0.145 1.00 0.00 H ATOM 1404 HG22 ILE X 82 7.282 7.575 -0.326 1.00 0.00 H ATOM 1405 HG23 ILE X 82 8.330 6.151 -0.537 1.00 0.00 H ATOM 1406 H ILE X 82 8.461 7.019 4.038 1.00 0.00 H ATOM 1407 N PHE X 83 5.714 5.510 2.928 1.00 64.12 N ATOM 1408 CA PHE X 83 4.484 4.669 2.854 1.00 4.22 C ATOM 1409 C PHE X 83 3.275 5.470 3.357 1.00 64.44 C ATOM 1410 O PHE X 83 2.220 5.466 2.750 1.00 24.24 O ATOM 1411 CB PHE X 83 4.678 3.427 3.728 1.00 63.22 C ATOM 1412 CG PHE X 83 5.375 2.348 2.933 1.00 31.20 C ATOM 1413 CD1 PHE X 83 4.660 1.603 1.987 1.00 73.41 C ATOM 1414 CD2 PHE X 83 6.738 2.098 3.136 1.00 11.32 C ATOM 1415 CE1 PHE X 83 5.308 0.606 1.245 1.00 33.10 C ATOM 1416 CE2 PHE X 83 7.384 1.100 2.394 1.00 50.33 C ATOM 1417 CZ PHE X 83 6.669 0.355 1.449 1.00 63.33 C ATOM 1418 HA PHE X 83 4.306 4.370 1.821 1.00 0.00 H ATOM 1419 HB2 PHE X 83 5.284 3.686 4.596 1.00 0.00 H ATOM 1420 HB3 PHE X 83 3.706 3.062 4.060 1.00 0.00 H ATOM 1421 HD2 PHE X 83 7.296 2.679 3.870 1.00 0.00 H ATOM 1422 HE2 PHE X 83 8.444 0.904 2.553 1.00 0.00 H ATOM 1423 HZ PHE X 83 7.173 -0.421 0.872 1.00 0.00 H ATOM 1424 HE1 PHE X 83 4.751 0.026 0.509 1.00 0.00 H ATOM 1425 HD1 PHE X 83 3.600 1.798 1.828 1.00 0.00 H ATOM 1426 H PHE X 83 6.527 5.193 3.494 1.00 0.00 H ATOM 1427 N GLN X 84 3.419 6.154 4.456 1.00 3.32 N ATOM 1428 CA GLN X 84 2.285 6.955 5.001 1.00 51.11 C ATOM 1429 C GLN X 84 1.755 7.885 3.907 1.00 4.11 C ATOM 1430 O GLN X 84 0.562 8.063 3.752 1.00 74.53 O ATOM 1431 CB GLN X 84 2.793 7.778 6.188 1.00 23.32 C ATOM 1432 CG GLN X 84 1.648 8.601 6.786 1.00 55.20 C ATOM 1433 CD GLN X 84 2.143 9.303 8.053 1.00 32.22 C ATOM 1434 OE1 GLN X 84 3.157 8.928 8.611 1.00 35.30 O ATOM 1435 NE2 GLN X 84 1.463 10.305 8.540 1.00 64.23 N ATOM 1436 HA GLN X 84 1.480 6.298 5.330 1.00 0.00 H ATOM 1437 HB2 GLN X 84 3.190 7.106 6.949 1.00 0.00 H ATOM 1438 HB3 GLN X 84 3.582 8.450 5.850 1.00 0.00 H ATOM 1439 HG2 GLN X 84 1.316 9.345 6.062 1.00 0.00 H ATOM 1440 HG3 GLN X 84 0.816 7.942 7.035 1.00 0.00 H ATOM 1441 HE22 GLN X 84 0.596 10.626 8.063 1.00 0.00 H ATOM 1442 HE21 GLN X 84 1.788 10.783 9.405 1.00 0.00 H ATOM 1443 H GLN X 84 4.330 6.142 4.957 1.00 0.00 H ATOM 1444 N ARG X 85 2.635 8.477 3.144 1.00 53.44 N ATOM 1445 CA ARG X 85 2.191 9.391 2.055 1.00 20.42 C ATOM 1446 C ARG X 85 1.329 8.599 1.058 1.00 64.32 C ATOM 1447 O ARG X 85 0.329 9.084 0.564 1.00 20.32 O ATOM 1448 CB ARG X 85 3.422 9.965 1.334 1.00 51.13 C ATOM 1449 CG ARG X 85 4.163 10.969 2.237 1.00 32.50 C ATOM 1450 CD ARG X 85 5.423 11.477 1.521 1.00 53.45 C ATOM 1451 NE ARG X 85 5.037 12.241 0.297 1.00 74.01 N ATOM 1452 CZ ARG X 85 5.960 12.870 -0.391 1.00 41.40 C ATOM 1453 NH1 ARG X 85 7.223 12.714 -0.074 1.00 43.13 N ATOM 1454 NH2 ARG X 85 5.649 13.596 -1.435 1.00 33.34 N ATOM 1455 HA ARG X 85 1.607 10.211 2.474 1.00 0.00 H ATOM 1456 HB2 ARG X 85 4.098 9.150 1.075 1.00 0.00 H ATOM 1457 HB3 ARG X 85 3.100 10.472 0.424 1.00 0.00 H ATOM 1458 HG2 ARG X 85 3.507 11.811 2.458 1.00 0.00 H ATOM 1459 HG3 ARG X 85 4.448 10.478 3.168 1.00 0.00 H ATOM 1460 HD2 ARG X 85 6.045 10.628 1.237 1.00 0.00 H ATOM 1461 HD3 ARG X 85 5.983 12.128 2.192 1.00 0.00 H ATOM 1462 HE ARG X 85 4.043 12.274 -0.008 1.00 0.00 H ATOM 1463 HH12 ARG X 85 7.960 13.210 -0.615 1.00 0.00 H ATOM 1464 HH11 ARG X 85 7.488 12.095 0.719 1.00 0.00 H ATOM 1465 HH22 ARG X 85 6.395 14.087 -1.968 1.00 0.00 H ATOM 1466 HH21 ARG X 85 4.656 13.682 -1.732 1.00 0.00 H ATOM 1467 H ARG X 85 3.650 8.309 3.298 1.00 0.00 H ATOM 1468 N LEU X 86 1.710 7.382 0.763 1.00 62.43 N ATOM 1469 CA LEU X 86 0.918 6.548 -0.193 1.00 30.43 C ATOM 1470 C LEU X 86 -0.465 6.254 0.395 1.00 24.03 C ATOM 1471 O LEU X 86 -1.462 6.263 -0.299 1.00 63.14 O ATOM 1472 CB LEU X 86 1.646 5.221 -0.436 1.00 45.15 C ATOM 1473 CG LEU X 86 3.093 5.480 -0.863 1.00 44.52 C ATOM 1474 CD1 LEU X 86 3.818 4.149 -1.070 1.00 44.13 C ATOM 1475 CD2 LEU X 86 3.109 6.278 -2.164 1.00 71.33 C ATOM 1476 HA LEU X 86 0.808 7.091 -1.132 1.00 0.00 H ATOM 1477 HB2 LEU X 86 1.641 4.634 0.483 1.00 0.00 H ATOM 1478 HB3 LEU X 86 1.132 4.667 -1.222 1.00 0.00 H ATOM 1479 HG LEU X 86 3.600 6.048 -0.083 1.00 0.00 H ATOM 1480 HD21 LEU X 86 2.597 5.712 -2.942 1.00 0.00 H ATOM 1481 HD22 LEU X 86 2.600 7.230 -2.011 1.00 0.00 H ATOM 1482 HD23 LEU X 86 4.141 6.460 -2.464 1.00 0.00 H ATOM 1483 HD11 LEU X 86 3.812 3.585 -0.137 1.00 0.00 H ATOM 1484 HD12 LEU X 86 3.309 3.577 -1.846 1.00 0.00 H ATOM 1485 HD13 LEU X 86 4.847 4.341 -1.374 1.00 0.00 H ATOM 1486 H LEU X 86 2.571 6.992 1.197 1.00 0.00 H ATOM 1487 N ILE X 87 -0.533 5.986 1.673 1.00 34.44 N ATOM 1488 CA ILE X 87 -1.850 5.689 2.312 1.00 64.33 C ATOM 1489 C ILE X 87 -2.728 6.947 2.287 1.00 20.30 C ATOM 1490 O ILE X 87 -3.906 6.889 2.001 1.00 4.44 O ATOM 1491 CB ILE X 87 -1.626 5.249 3.760 1.00 43.52 C ATOM 1492 CG1 ILE X 87 -0.642 4.072 3.794 1.00 72.15 C ATOM 1493 CG2 ILE X 87 -2.956 4.821 4.381 1.00 50.02 C ATOM 1494 CD1 ILE X 87 -1.171 2.924 2.928 1.00 42.22 C ATOM 1495 HA ILE X 87 -2.348 4.890 1.763 1.00 0.00 H ATOM 1496 HB ILE X 87 -1.214 6.083 4.329 1.00 0.00 H ATOM 1497 HG12 ILE X 87 0.325 4.398 3.411 1.00 0.00 H ATOM 1498 HG13 ILE X 87 -0.527 3.727 4.821 1.00 0.00 H ATOM 1499 HD11 ILE X 87 -2.137 2.597 3.312 1.00 0.00 H ATOM 1500 HD12 ILE X 87 -1.285 3.269 1.900 1.00 0.00 H ATOM 1501 HD13 ILE X 87 -0.466 2.093 2.958 1.00 0.00 H ATOM 1502 HG21 ILE X 87 -3.651 5.660 4.361 1.00 0.00 H ATOM 1503 HG22 ILE X 87 -3.371 3.990 3.811 1.00 0.00 H ATOM 1504 HG23 ILE X 87 -2.790 4.509 5.412 1.00 0.00 H ATOM 1505 H ILE X 87 0.334 5.980 2.247 1.00 0.00 H ATOM 1506 N GLU X 88 -2.158 8.084 2.583 1.00 74.11 N ATOM 1507 CA GLU X 88 -2.956 9.345 2.585 1.00 13.14 C ATOM 1508 C GLU X 88 -3.722 9.457 1.264 1.00 20.12 C ATOM 1509 O GLU X 88 -4.935 9.529 1.240 1.00 40.25 O ATOM 1510 CB GLU X 88 -2.004 10.536 2.732 1.00 42.41 C ATOM 1511 CG GLU X 88 -2.804 11.831 2.901 1.00 45.01 C ATOM 1512 CD GLU X 88 -3.495 11.824 4.266 1.00 12.40 C ATOM 1513 OE1 GLU X 88 -3.203 10.936 5.051 1.00 75.42 O ATOM 1514 OE2 GLU X 88 -4.305 12.704 4.504 1.00 73.00 O ATOM 1515 HA GLU X 88 -3.664 9.339 3.414 1.00 0.00 H ATOM 1516 HB2 GLU X 88 -1.371 10.386 3.607 1.00 0.00 H ATOM 1517 HB3 GLU X 88 -1.380 10.611 1.842 1.00 0.00 H ATOM 1518 HG2 GLU X 88 -2.131 12.686 2.838 1.00 0.00 H ATOM 1519 HG3 GLU X 88 -3.554 11.901 2.113 1.00 0.00 H ATOM 1520 H GLU X 88 -1.145 8.111 2.818 1.00 0.00 H ATOM 1521 N HIS X 89 -3.019 9.468 0.165 1.00 31.35 N ATOM 1522 CA HIS X 89 -3.694 9.597 -1.159 1.00 5.44 C ATOM 1523 C HIS X 89 -4.600 8.382 -1.384 1.00 45.14 C ATOM 1524 O HIS X 89 -5.546 8.431 -2.147 1.00 4.14 O ATOM 1525 CB HIS X 89 -2.624 9.692 -2.254 1.00 2.51 C ATOM 1526 CG HIS X 89 -2.206 8.321 -2.717 1.00 72.25 C ATOM 1527 ND1 HIS X 89 -0.925 7.827 -2.508 1.00 43.44 N ATOM 1528 CD2 HIS X 89 -2.873 7.347 -3.420 1.00 0.55 C ATOM 1529 CE1 HIS X 89 -0.861 6.610 -3.079 1.00 44.21 C ATOM 1530 NE2 HIS X 89 -2.020 6.272 -3.646 1.00 4.33 N ATOM 1531 HA HIS X 89 -4.309 10.497 -1.189 1.00 0.00 H ATOM 1532 HB2 HIS X 89 -3.028 10.247 -3.101 1.00 0.00 H ATOM 1533 HB3 HIS X 89 -1.754 10.216 -1.859 1.00 0.00 H ATOM 1534 HD2 HIS X 89 -3.910 7.407 -3.750 1.00 0.00 H ATOM 1535 HE1 HIS X 89 0.028 5.979 -3.078 1.00 0.00 H ATOM 1536 H HIS X 89 -1.983 9.386 0.212 1.00 0.00 H ATOM 1537 N ASN X 90 -4.330 7.301 -0.705 1.00 33.24 N ATOM 1538 CA ASN X 90 -5.181 6.085 -0.849 1.00 34.44 C ATOM 1539 C ASN X 90 -6.523 6.337 -0.152 1.00 43.01 C ATOM 1540 O ASN X 90 -7.577 6.057 -0.687 1.00 54.24 O ATOM 1541 CB ASN X 90 -4.468 4.899 -0.191 1.00 73.41 C ATOM 1542 CG ASN X 90 -5.129 3.586 -0.620 1.00 31.52 C ATOM 1543 OD1 ASN X 90 -5.850 2.977 0.144 1.00 52.44 O ATOM 1544 ND2 ASN X 90 -4.904 3.117 -1.818 1.00 43.21 N ATOM 1545 HA ASN X 90 -5.354 5.864 -1.902 1.00 0.00 H ATOM 1546 HB2 ASN X 90 -3.421 4.893 -0.495 1.00 0.00 H ATOM 1547 HB3 ASN X 90 -4.529 4.997 0.893 1.00 0.00 H ATOM 1548 HD22 ASN X 90 -4.287 3.638 -2.473 1.00 0.00 H ATOM 1549 HD21 ASN X 90 -5.342 2.223 -2.117 1.00 0.00 H ATOM 1550 H ASN X 90 -3.515 7.287 -0.059 1.00 0.00 H ATOM 1551 N LYS X 91 -6.486 6.874 1.041 1.00 32.33 N ATOM 1552 CA LYS X 91 -7.751 7.171 1.778 1.00 20.42 C ATOM 1553 C LYS X 91 -8.466 8.336 1.091 1.00 63.20 C ATOM 1554 O LYS X 91 -9.630 8.257 0.752 1.00 0.42 O ATOM 1555 CB LYS X 91 -7.413 7.558 3.227 1.00 40.45 C ATOM 1556 CG LYS X 91 -8.697 7.907 3.991 1.00 72.33 C ATOM 1557 CD LYS X 91 -8.353 8.286 5.438 1.00 21.03 C ATOM 1558 CE LYS X 91 -9.636 8.612 6.208 1.00 2.14 C ATOM 1559 NZ LYS X 91 -10.383 9.694 5.500 1.00 62.21 N ATOM 1560 HA LYS X 91 -8.397 6.293 1.778 1.00 0.00 H ATOM 1561 HB2 LYS X 91 -6.917 6.721 3.718 1.00 0.00 H ATOM 1562 HB3 LYS X 91 -6.748 8.422 3.224 1.00 0.00 H ATOM 1563 HG2 LYS X 91 -9.191 8.748 3.504 1.00 0.00 H ATOM 1564 HG3 LYS X 91 -9.364 7.045 3.991 1.00 0.00 H ATOM 1565 HD2 LYS X 91 -7.844 7.451 5.920 1.00 0.00 H ATOM 1566 HD3 LYS X 91 -7.699 9.158 5.438 1.00 0.00 H ATOM 1567 HE2 LYS X 91 -9.381 8.945 7.214 1.00 0.00 H ATOM 1568 HE3 LYS X 91 -10.260 7.720 6.269 1.00 0.00 H ATOM 1569 HZ1 LYS X 91 -9.787 10.545 5.443 1.00 0.00 H ATOM 1570 HZ2 LYS X 91 -10.626 9.375 4.541 1.00 0.00 H ATOM 1571 HZ3 LYS X 91 -11.254 9.913 6.025 1.00 0.00 H ATOM 1572 H LYS X 91 -5.569 7.096 1.479 1.00 0.00 H ATOM 1573 N ALA X 92 -7.768 9.421 0.899 1.00 21.32 N ATOM 1574 CA ALA X 92 -8.379 10.619 0.250 1.00 42.04 C ATOM 1575 C ALA X 92 -9.246 10.223 -0.950 1.00 33.21 C ATOM 1576 O ALA X 92 -10.431 10.485 -0.978 1.00 2.23 O ATOM 1577 CB ALA X 92 -7.271 11.549 -0.243 1.00 12.50 C ATOM 1578 HA ALA X 92 -9.006 11.117 0.990 1.00 0.00 H ATOM 1579 HB1 ALA X 92 -6.660 11.864 0.603 1.00 0.00 H ATOM 1580 HB2 ALA X 92 -6.649 11.020 -0.965 1.00 0.00 H ATOM 1581 HB3 ALA X 92 -7.717 12.424 -0.717 1.00 0.00 H ATOM 1582 H ALA X 92 -6.774 9.452 1.202 1.00 0.00 H ATOM 1583 N LEU X 93 -8.659 9.630 -1.956 1.00 71.31 N ATOM 1584 CA LEU X 93 -9.442 9.302 -3.183 1.00 42.45 C ATOM 1585 C LEU X 93 -10.419 8.153 -2.902 1.00 72.44 C ATOM 1586 O LEU X 93 -11.419 8.000 -3.578 1.00 45.13 O ATOM 1587 CB LEU X 93 -8.471 8.976 -4.333 1.00 44.10 C ATOM 1588 CG LEU X 93 -8.317 7.465 -4.565 1.00 31.02 C ATOM 1589 CD1 LEU X 93 -7.995 6.751 -3.254 1.00 54.54 C ATOM 1590 CD2 LEU X 93 -9.605 6.898 -5.163 1.00 74.41 C ATOM 1591 HA LEU X 93 -10.043 10.161 -3.483 1.00 0.00 H ATOM 1592 HB2 LEU X 93 -8.847 9.434 -5.248 1.00 0.00 H ATOM 1593 HB3 LEU X 93 -7.493 9.394 -4.094 1.00 0.00 H ATOM 1594 HG LEU X 93 -7.494 7.302 -5.261 1.00 0.00 H ATOM 1595 HD21 LEU X 93 -10.432 7.075 -4.475 1.00 0.00 H ATOM 1596 HD22 LEU X 93 -9.810 7.390 -6.114 1.00 0.00 H ATOM 1597 HD23 LEU X 93 -9.488 5.826 -5.325 1.00 0.00 H ATOM 1598 HD11 LEU X 93 -7.063 7.144 -2.847 1.00 0.00 H ATOM 1599 HD12 LEU X 93 -8.803 6.919 -2.542 1.00 0.00 H ATOM 1600 HD13 LEU X 93 -7.890 5.682 -3.440 1.00 0.00 H ATOM 1601 H LEU X 93 -7.649 9.387 -1.901 1.00 0.00 H ATOM 1602 N GLN X 94 -10.168 7.372 -1.891 1.00 51.33 N ATOM 1603 CA GLN X 94 -11.098 6.259 -1.560 1.00 23.03 C ATOM 1604 C GLN X 94 -12.473 6.846 -1.219 1.00 40.23 C ATOM 1605 O GLN X 94 -13.483 6.470 -1.786 1.00 53.40 O ATOM 1606 CB GLN X 94 -10.557 5.502 -0.345 1.00 63.41 C ATOM 1607 CG GLN X 94 -9.975 4.164 -0.794 1.00 73.30 C ATOM 1608 CD GLN X 94 -9.427 3.409 0.417 1.00 21.33 C ATOM 1609 OE1 GLN X 94 -10.165 2.752 1.127 1.00 53.33 O ATOM 1610 NE2 GLN X 94 -8.150 3.474 0.684 1.00 71.02 N ATOM 1611 HA GLN X 94 -11.186 5.579 -2.408 1.00 0.00 H ATOM 1612 HB2 GLN X 94 -9.778 6.094 0.135 1.00 0.00 H ATOM 1613 HB3 GLN X 94 -11.366 5.327 0.364 1.00 0.00 H ATOM 1614 HG2 GLN X 94 -10.756 3.570 -1.269 1.00 0.00 H ATOM 1615 HG3 GLN X 94 -9.169 4.340 -1.507 1.00 0.00 H ATOM 1616 HE22 GLN X 94 -7.520 4.036 0.077 1.00 0.00 H ATOM 1617 HE21 GLN X 94 -7.764 2.964 1.504 1.00 0.00 H ATOM 1618 H GLN X 94 -9.316 7.526 -1.314 1.00 0.00 H ATOM 1619 N LYS X 95 -12.511 7.770 -0.297 1.00 24.23 N ATOM 1620 CA LYS X 95 -13.809 8.390 0.104 1.00 52.15 C ATOM 1621 C LYS X 95 -14.395 9.173 -1.077 1.00 54.22 C ATOM 1622 O LYS X 95 -15.580 9.122 -1.341 1.00 63.00 O ATOM 1623 CB LYS X 95 -13.576 9.355 1.278 1.00 20.40 C ATOM 1624 CG LYS X 95 -13.223 8.573 2.550 1.00 31.14 C ATOM 1625 CD LYS X 95 -13.143 9.546 3.733 1.00 23.44 C ATOM 1626 CE LYS X 95 -13.027 8.764 5.044 1.00 42.12 C ATOM 1627 NZ LYS X 95 -12.954 9.719 6.190 1.00 42.02 N ATOM 1628 HA LYS X 95 -14.503 7.604 0.403 1.00 0.00 H ATOM 1629 HB2 LYS X 95 -12.756 10.030 1.032 1.00 0.00 H ATOM 1630 HB3 LYS X 95 -14.482 9.935 1.452 1.00 0.00 H ATOM 1631 HG2 LYS X 95 -13.992 7.825 2.744 1.00 0.00 H ATOM 1632 HG3 LYS X 95 -12.261 8.078 2.419 1.00 0.00 H ATOM 1633 HD2 LYS X 95 -12.269 10.187 3.616 1.00 0.00 H ATOM 1634 HD3 LYS X 95 -14.043 10.161 3.757 1.00 0.00 H ATOM 1635 HE2 LYS X 95 -12.126 8.152 5.023 1.00 0.00 H ATOM 1636 HE3 LYS X 95 -13.899 8.121 5.162 1.00 0.00 H ATOM 1637 HZ1 LYS X 95 -12.121 10.332 6.077 1.00 0.00 H ATOM 1638 HZ2 LYS X 95 -13.815 10.302 6.209 1.00 0.00 H ATOM 1639 HZ3 LYS X 95 -12.875 9.186 7.079 1.00 0.00 H ATOM 1640 H LYS X 95 -11.630 8.077 0.162 1.00 0.00 H ATOM 1641 N GLN X 96 -13.575 9.904 -1.785 1.00 11.40 N ATOM 1642 CA GLN X 96 -14.082 10.688 -2.948 1.00 62.05 C ATOM 1643 C GLN X 96 -14.588 9.728 -4.030 1.00 13.43 C ATOM 1644 O GLN X 96 -15.572 9.988 -4.694 1.00 11.03 O ATOM 1645 CB GLN X 96 -12.948 11.553 -3.509 1.00 64.24 C ATOM 1646 CG GLN X 96 -12.484 12.554 -2.443 1.00 13.52 C ATOM 1647 CD GLN X 96 -13.616 13.533 -2.123 1.00 51.13 C ATOM 1648 OE1 GLN X 96 -14.170 13.507 -1.042 1.00 64.43 O ATOM 1649 NE2 GLN X 96 -13.984 14.404 -3.023 1.00 43.13 N ATOM 1650 HA GLN X 96 -14.902 11.331 -2.628 1.00 0.00 H ATOM 1651 HB2 GLN X 96 -12.112 10.914 -3.795 1.00 0.00 H ATOM 1652 HB3 GLN X 96 -13.305 12.095 -4.385 1.00 0.00 H ATOM 1653 HG2 GLN X 96 -12.204 12.015 -1.538 1.00 0.00 H ATOM 1654 HG3 GLN X 96 -11.622 13.107 -2.816 1.00 0.00 H ATOM 1655 HE22 GLN X 96 -13.510 14.427 -3.949 1.00 0.00 H ATOM 1656 HE21 GLN X 96 -14.751 15.075 -2.814 1.00 0.00 H ATOM 1657 H GLN X 96 -12.566 9.939 -1.537 1.00 0.00 H ATOM 1658 N TYR X 97 -13.918 8.622 -4.207 1.00 45.25 N ATOM 1659 CA TYR X 97 -14.346 7.630 -5.238 1.00 62.35 C ATOM 1660 C TYR X 97 -15.729 7.077 -4.881 1.00 71.21 C ATOM 1661 O TYR X 97 -16.638 7.078 -5.689 1.00 32.33 O ATOM 1662 CB TYR X 97 -13.331 6.483 -5.276 1.00 1.13 C ATOM 1663 CG TYR X 97 -13.878 5.333 -6.090 1.00 3.32 C ATOM 1664 CD1 TYR X 97 -13.834 5.378 -7.489 1.00 13.24 C ATOM 1665 CD2 TYR X 97 -14.411 4.212 -5.442 1.00 74.04 C ATOM 1666 CE1 TYR X 97 -14.331 4.305 -8.240 1.00 34.51 C ATOM 1667 CE2 TYR X 97 -14.909 3.141 -6.194 1.00 72.10 C ATOM 1668 CZ TYR X 97 -14.865 3.185 -7.592 1.00 72.34 C ATOM 1669 OH TYR X 97 -15.350 2.126 -8.333 1.00 3.11 O ATOM 1670 HA TYR X 97 -14.396 8.114 -6.214 1.00 0.00 H ATOM 1671 HB3 TYR X 97 -13.132 6.143 -4.260 1.00 0.00 H ATOM 1672 HB2 TYR X 97 -12.404 6.836 -5.728 1.00 0.00 H ATOM 1673 HD2 TYR X 97 -14.438 4.173 -4.353 1.00 0.00 H ATOM 1674 HE2 TYR X 97 -15.331 2.272 -5.690 1.00 0.00 H ATOM 1675 HE1 TYR X 97 -14.302 4.342 -9.329 1.00 0.00 H ATOM 1676 HD1 TYR X 97 -13.413 6.248 -7.993 1.00 0.00 H ATOM 1677 HH TYR X 97 -15.242 2.322 -9.297 1.00 0.00 H ATOM 1678 H TYR X 97 -13.078 8.430 -3.625 1.00 0.00 H ATOM 1679 N LEU X 98 -15.894 6.599 -3.675 1.00 51.53 N ATOM 1680 CA LEU X 98 -17.211 6.027 -3.265 1.00 52.20 C ATOM 1681 C LEU X 98 -18.289 7.118 -3.322 1.00 31.31 C ATOM 1682 O LEU X 98 -19.417 6.871 -3.701 1.00 11.44 O ATOM 1683 CB LEU X 98 -17.123 5.495 -1.829 1.00 5.51 C ATOM 1684 CG LEU X 98 -16.275 4.219 -1.770 1.00 12.44 C ATOM 1685 CD1 LEU X 98 -16.104 3.802 -0.308 1.00 73.22 C ATOM 1686 CD2 LEU X 98 -16.970 3.087 -2.533 1.00 2.34 C ATOM 1687 HA LEU X 98 -17.469 5.214 -3.944 1.00 0.00 H ATOM 1688 HB2 LEU X 98 -16.669 6.255 -1.193 1.00 0.00 H ATOM 1689 HB3 LEU X 98 -18.127 5.274 -1.468 1.00 0.00 H ATOM 1690 HG LEU X 98 -15.304 4.414 -2.225 1.00 0.00 H ATOM 1691 HD21 LEU X 98 -17.943 2.891 -2.083 1.00 0.00 H ATOM 1692 HD22 LEU X 98 -17.103 3.380 -3.574 1.00 0.00 H ATOM 1693 HD23 LEU X 98 -16.357 2.187 -2.483 1.00 0.00 H ATOM 1694 HD11 LEU X 98 -15.605 4.601 0.241 1.00 0.00 H ATOM 1695 HD12 LEU X 98 -17.083 3.614 0.132 1.00 0.00 H ATOM 1696 HD13 LEU X 98 -15.502 2.895 -0.258 1.00 0.00 H ATOM 1697 H LEU X 98 -15.104 6.617 -2.998 1.00 0.00 H ATOM 1698 N GLU X 99 -17.950 8.322 -2.933 1.00 14.35 N ATOM 1699 CA GLU X 99 -18.946 9.438 -2.965 1.00 3.22 C ATOM 1700 C GLU X 99 -19.316 9.773 -4.412 1.00 21.54 C ATOM 1701 O GLU X 99 -20.450 10.079 -4.718 1.00 51.21 O ATOM 1702 CB GLU X 99 -18.336 10.682 -2.313 1.00 41.04 C ATOM 1703 CG GLU X 99 -18.580 10.645 -0.800 1.00 60.54 C ATOM 1704 CD GLU X 99 -17.887 9.415 -0.201 1.00 62.22 C ATOM 1705 OE1 GLU X 99 -18.283 8.313 -0.539 1.00 53.14 O ATOM 1706 OE2 GLU X 99 -16.973 9.598 0.588 1.00 11.11 O ATOM 1707 HA GLU X 99 -19.840 9.128 -2.424 1.00 0.00 H ATOM 1708 HB2 GLU X 99 -17.264 10.704 -2.507 1.00 0.00 H ATOM 1709 HB3 GLU X 99 -18.798 11.575 -2.733 1.00 0.00 H ATOM 1710 HG2 GLU X 99 -18.175 11.549 -0.344 1.00 0.00 H ATOM 1711 HG3 GLU X 99 -19.651 10.590 -0.606 1.00 0.00 H ATOM 1712 H GLU X 99 -16.982 8.503 -2.600 1.00 0.00 H ATOM 1713 N GLU X 100 -18.360 9.735 -5.299 1.00 61.42 N ATOM 1714 CA GLU X 100 -18.649 10.073 -6.723 1.00 12.32 C ATOM 1715 C GLU X 100 -19.528 8.992 -7.364 1.00 22.21 C ATOM 1716 O GLU X 100 -20.246 9.249 -8.309 1.00 2.34 O ATOM 1717 CB GLU X 100 -17.327 10.206 -7.484 1.00 31.35 C ATOM 1718 CG GLU X 100 -16.994 8.897 -8.211 1.00 22.13 C ATOM 1719 CD GLU X 100 -17.781 8.818 -9.520 1.00 62.51 C ATOM 1720 OE1 GLU X 100 -17.916 9.843 -10.168 1.00 61.44 O ATOM 1721 OE2 GLU X 100 -18.233 7.736 -9.853 1.00 22.23 O ATOM 1722 HA GLU X 100 -19.190 11.018 -6.767 1.00 0.00 H ATOM 1723 HB2 GLU X 100 -17.412 11.011 -8.214 1.00 0.00 H ATOM 1724 HB3 GLU X 100 -16.529 10.439 -6.779 1.00 0.00 H ATOM 1725 HG2 GLU X 100 -15.926 8.864 -8.428 1.00 0.00 H ATOM 1726 HG3 GLU X 100 -17.261 8.052 -7.576 1.00 0.00 H ATOM 1727 H GLU X 100 -17.396 9.469 -5.013 1.00 0.00 H ATOM 1728 N THR X 101 -19.494 7.793 -6.850 1.00 61.24 N ATOM 1729 CA THR X 101 -20.349 6.715 -7.421 1.00 12.42 C ATOM 1730 C THR X 101 -21.775 6.858 -6.874 1.00 22.32 C ATOM 1731 O THR X 101 -22.742 6.529 -7.535 1.00 34.52 O ATOM 1732 CB THR X 101 -19.787 5.352 -7.026 1.00 52.25 C ATOM 1733 OG1 THR X 101 -19.414 5.381 -5.654 1.00 14.03 O ATOM 1734 CG2 THR X 101 -18.564 5.031 -7.884 1.00 61.11 C ATOM 1735 HA THR X 101 -20.363 6.798 -8.508 1.00 0.00 H ATOM 1736 HB THR X 101 -20.545 4.585 -7.184 1.00 0.00 H ATOM 1737 HG1 THR X 101 -18.725 6.078 -5.515 1.00 0.00 H ATOM 1738 HG23 THR X 101 -18.854 5.010 -8.934 1.00 0.00 H ATOM 1739 HG21 THR X 101 -17.803 5.797 -7.731 1.00 0.00 H ATOM 1740 HG22 THR X 101 -18.165 4.058 -7.596 1.00 0.00 H ATOM 1741 H THR X 101 -18.871 7.590 -6.043 1.00 0.00 H ATOM 1742 N LEU X 102 -21.912 7.358 -5.674 1.00 21.54 N ATOM 1743 CA LEU X 102 -23.273 7.531 -5.082 1.00 51.35 C ATOM 1744 C LEU X 102 -24.017 8.640 -5.837 1.00 34.15 C ATOM 1745 O LEU X 102 -25.227 8.621 -5.953 1.00 25.44 O ATOM 1746 CB LEU X 102 -23.152 7.912 -3.602 1.00 11.21 C ATOM 1747 CG LEU X 102 -22.567 6.736 -2.810 1.00 63.43 C ATOM 1748 CD1 LEU X 102 -22.287 7.174 -1.373 1.00 31.43 C ATOM 1749 CD2 LEU X 102 -23.574 5.581 -2.794 1.00 42.04 C ATOM 1750 HA LEU X 102 -23.825 6.595 -5.166 1.00 0.00 H ATOM 1751 HB2 LEU X 102 -22.497 8.777 -3.503 1.00 0.00 H ATOM 1752 HB3 LEU X 102 -24.139 8.158 -3.209 1.00 0.00 H ATOM 1753 HG LEU X 102 -21.639 6.411 -3.281 1.00 0.00 H ATOM 1754 HD21 LEU X 102 -24.499 5.914 -2.323 1.00 0.00 H ATOM 1755 HD22 LEU X 102 -23.779 5.265 -3.817 1.00 0.00 H ATOM 1756 HD23 LEU X 102 -23.158 4.746 -2.231 1.00 0.00 H ATOM 1757 HD11 LEU X 102 -21.574 7.998 -1.378 1.00 0.00 H ATOM 1758 HD12 LEU X 102 -23.217 7.499 -0.906 1.00 0.00 H ATOM 1759 HD13 LEU X 102 -21.872 6.336 -0.813 1.00 0.00 H ATOM 1760 H LEU X 102 -21.071 7.636 -5.129 1.00 0.00 H ATOM 1761 N GLU X 103 -23.301 9.598 -6.362 1.00 4.00 N ATOM 1762 CA GLU X 103 -23.950 10.720 -7.107 1.00 23.43 C ATOM 1763 C GLU X 103 -24.677 10.170 -8.337 1.00 3.04 C ATOM 1764 O GLU X 103 -25.834 10.462 -8.582 1.00 71.20 O ATOM 1765 CB GLU X 103 -22.872 11.686 -7.592 1.00 51.34 C ATOM 1766 CG GLU X 103 -22.236 12.413 -6.408 1.00 51.21 C ATOM 1767 CD GLU X 103 -21.085 13.279 -6.919 1.00 21.11 C ATOM 1768 OE1 GLU X 103 -20.852 13.277 -8.115 1.00 62.22 O ATOM 1769 OE2 GLU X 103 -20.453 13.928 -6.102 1.00 13.43 O ATOM 1770 HA GLU X 103 -24.655 11.225 -6.447 1.00 0.00 H ATOM 1771 HB2 GLU X 103 -22.103 11.128 -8.126 1.00 0.00 H ATOM 1772 HB3 GLU X 103 -23.321 12.418 -8.264 1.00 0.00 H ATOM 1773 HG2 GLU X 103 -22.981 13.043 -5.922 1.00 0.00 H ATOM 1774 HG3 GLU X 103 -21.856 11.684 -5.692 1.00 0.00 H ATOM 1775 H GLU X 103 -22.266 9.580 -6.260 1.00 0.00 H ATOM 1776 N HIS X 104 -23.986 9.379 -9.107 1.00 14.22 N ATOM 1777 CA HIS X 104 -24.590 8.781 -10.330 1.00 20.33 C ATOM 1778 C HIS X 104 -25.640 7.763 -9.910 1.00 24.20 C ATOM 1779 O HIS X 104 -25.952 7.726 -8.723 1.00 0.00 O ATOM 1780 CB HIS X 104 -23.501 8.080 -11.162 1.00 12.13 C ATOM 1781 CG HIS X 104 -22.540 9.104 -11.721 1.00 24.42 C ATOM 1782 ND1 HIS X 104 -21.461 9.586 -10.992 1.00 14.11 N ATOM 1783 CD2 HIS X 104 -22.505 9.774 -12.924 1.00 75.42 C ATOM 1784 CE1 HIS X 104 -20.834 10.507 -11.750 1.00 41.30 C ATOM 1785 NE2 HIS X 104 -21.431 10.656 -12.933 1.00 44.03 N ATOM 1786 HA HIS X 104 -25.048 9.565 -10.933 1.00 0.00 H ATOM 1787 OXT HIS X 104 -26.111 7.032 -10.780 1.00 0.00 O ATOM 1788 HB2 HIS X 104 -22.956 7.381 -10.528 1.00 0.00 H ATOM 1789 HB3 HIS X 104 -23.968 7.536 -11.983 1.00 0.00 H ATOM 1790 HD2 HIS X 104 -23.211 9.634 -13.743 1.00 0.00 H ATOM 1791 HE1 HIS X 104 -19.949 11.061 -11.435 1.00 0.00 H ATOM 1792 H HIS X 104 -22.998 9.162 -8.864 1.00 0.00 H TER 1793 HIS X 104 HETATM 1794 C1 TSA A 1 -5.470 0.615 2.438 1.00 -0.02 C HETATM 1795 C2 TSA A 1 -5.310 -0.161 3.751 1.00 -0.07 C HETATM 1796 C3 TSA A 1 -6.269 -0.075 4.694 1.00 0.02 C HETATM 1797 C4 TSA A 1 -7.331 1.017 4.754 1.00 0.16 C HETATM 1798 O5 TSA A 1 -6.900 1.955 5.717 1.00 -0.36 O HETATM 1799 H4 TSA A 1 -6.811 1.524 6.559 1.00 0.22 H HETATM 1800 C5 TSA A 1 -7.481 1.791 3.416 1.00 0.10 C HETATM 1801 C6 TSA A 1 -6.077 1.986 2.793 1.00 -0.05 C HETATM 1802 H6 TSA A 1 -6.163 2.595 1.881 1.00 0.01 H HETATM 1803 H7 TSA A 1 -5.425 2.498 3.515 1.00 0.01 H HETATM 1804 O7 TSA A 1 -8.294 1.127 2.459 1.00 -0.35 O HETATM 1805 C8 TSA A 1 -7.885 -0.016 1.706 1.00 0.10 C HETATM 1806 C9 TSA A 1 -6.400 0.038 1.350 1.00 -0.04 C HETATM 1807 H9 TSA A 1 -6.068 -0.988 1.131 1.00 0.02 H HETATM 1808 H10 TSA A 1 -6.291 0.659 0.449 1.00 0.02 H HETATM 1809 C11 TSA A 1 -8.197 -1.306 2.465 1.00 0.06 C HETATM 1810 O3 TSA A 1 -7.906 -2.435 2.017 1.00 -0.57 O HETATM 1811 O4 TSA A 1 -8.764 -1.149 3.554 1.00 -0.57 O HETATM 1812 H8 TSA A 1 -8.459 -0.023 0.767 1.00 0.08 H HETATM 1813 H5 TSA A 1 -7.927 2.773 3.632 1.00 0.07 H HETATM 1814 H3 TSA A 1 -8.298 0.577 5.038 1.00 0.11 H HETATM 1815 H2 TSA A 1 -6.287 -0.840 5.468 1.00 0.16 H HETATM 1816 H1 TSA A 1 -4.428 -0.777 3.920 1.00 0.05 H HETATM 1817 C10 TSA A 1 -4.155 0.672 1.642 1.00 -0.01 C HETATM 1818 O1 TSA A 1 -3.968 1.656 0.912 1.00 -0.57 O HETATM 1819 O2 TSA A 1 -3.326 -0.253 1.739 1.00 -0.57 O CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1794 1795 1801 1806 1817 CONECT 1795 1794 1796 1816 CONECT 1796 1795 1797 1815 CONECT 1797 1796 1798 1800 1814 CONECT 1798 1797 1799 CONECT 1799 1798 CONECT 1800 1797 1801 1804 1813 CONECT 1801 1794 1800 1802 1803 CONECT 1802 1801 CONECT 1803 1801 CONECT 1804 1800 1805 CONECT 1805 1804 1806 1809 1812 CONECT 1806 1794 1805 1807 1808 CONECT 1807 1806 CONECT 1808 1806 CONECT 1809 1805 1810 1811 CONECT 1810 1809 CONECT 1811 1809 CONECT 1812 1805 CONECT 1813 1800 CONECT 1814 1797 CONECT 1815 1796 CONECT 1816 1795 CONECT 1817 1794 1818 1819 CONECT 1818 1817 CONECT 1819 1817 MASTER 0 0 0 0 0 0 0 0 1818 1 30 8 END
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Related entries of code: 2gtv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fig
RCSB PDB
PDBbind
TSA
Entry Information
PDB ID
2gtv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
chorismate mutase
Ligand Name
TSA
EC.Number
E.C.5.4.99.5
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=7uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Nature Struct. Mol. Biol. 2007, 14, 1202-1206.
Ligand Properties
Formula
C
1
0
H
1
2
O
6
Molecular Weight
228.199
Exact Mass
228.063
No. of atoms
28
No. of bonds
29
Polar Surface Area
104.06
LOGP Value
1.63 (
Computed with XLOGP3
)
-0.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
O[C@@H]1C=C[C@@]2(C[C@H]1O[C@@H](C2)C(=O)O)C(=O)O
InChI String
InChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q57696
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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