Browse entries in the PDBbind-CN Database
HEADER 2L1R_COMPLEX COMPND 2L1R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 89 MET ASP ASP ILE TYR LYS ALA ALA VAL GLU GLN LEU THR SEQRES 2 A 89 GLU GLU GLN LYS ASN GLU PHE LYS ALA ALA PHE ASP ILE SEQRES 3 A 89 PHE VAL LEU GLY ALA GLU ASP GLY CYS ILE SER THR LYS SEQRES 4 A 89 GLU LEU GLY LYS VAL MET ARG MET LEU GLY GLN ASN PRO SEQRES 5 A 89 THR PRO GLU GLU LEU GLN GLU MET ILE ASP GLU VAL ASP SEQRES 6 A 89 GLU ASP GLY SER GLY THR VAL ASP PHE ASP GLU PHE LEU SEQRES 7 A 89 VAL MET MET VAL ARG CYS MET LYS ASP ASP SER SEQRES 1 B 20 ARG ARG VAL ARG ILE SER ALA ASP ALA MET MET GLN ALA SEQRES 2 B 20 LEU LEU GLY ALA ARG ALA LYS HET CA A 1 1 HET SXK A 111 28 ATOM 1 N MET A 1 73.172 17.121 12.441 1.00 0.00 N ATOM 2 CA MET A 1 73.688 15.717 12.367 1.00 0.00 C ATOM 3 C MET A 1 73.026 14.960 11.207 1.00 0.00 C ATOM 4 O MET A 1 72.093 15.442 10.595 1.00 0.00 O ATOM 5 CB MET A 1 73.314 15.072 13.709 1.00 0.00 C ATOM 6 CG MET A 1 74.565 14.936 14.581 1.00 0.00 C ATOM 7 SD MET A 1 75.714 13.769 13.811 1.00 0.00 S ATOM 8 CE MET A 1 76.789 13.530 15.246 1.00 0.00 C ATOM 9 HA MET A 1 74.763 15.691 12.190 1.00 0.00 H ATOM 10 HB2 MET A 1 72.581 15.697 14.220 1.00 0.00 H ATOM 11 HB3 MET A 1 72.887 14.085 13.531 1.00 0.00 H ATOM 12 HG2 MET A 1 74.282 14.570 15.568 1.00 0.00 H ATOM 13 HG3 MET A 1 75.047 15.909 14.680 1.00 0.00 H ATOM 14 HE1 MET A 1 77.223 14.487 15.536 1.00 0.00 H ATOM 15 HE2 MET A 1 76.204 13.129 16.074 1.00 0.00 H ATOM 16 HE3 MET A 1 77.585 12.831 14.990 1.00 0.00 H ATOM 17 HN3 MET A 1 72.143 17.103 12.592 1.00 0.00 H ATOM 18 HN2 MET A 1 73.384 17.614 11.550 1.00 0.00 H ATOM 19 HN1 MET A 1 73.631 17.617 13.231 1.00 0.00 H ATOM 20 N ASP A 2 73.505 13.778 10.908 1.00 0.00 N ATOM 21 CA ASP A 2 72.910 12.979 9.794 1.00 0.00 C ATOM 22 C ASP A 2 72.454 11.604 10.308 1.00 0.00 C ATOM 23 O ASP A 2 72.471 11.344 11.497 1.00 0.00 O ATOM 24 CB ASP A 2 74.038 12.834 8.767 1.00 0.00 C ATOM 25 CG ASP A 2 73.449 12.885 7.356 1.00 0.00 C ATOM 26 OD1 ASP A 2 72.989 11.855 6.891 1.00 0.00 O ATOM 27 OD2 ASP A 2 73.462 13.953 6.769 1.00 0.00 O ATOM 28 HA ASP A 2 72.030 13.457 9.364 1.00 0.00 H ATOM 29 HB2 ASP A 2 74.752 13.648 8.893 1.00 0.00 H ATOM 30 HB3 ASP A 2 74.545 11.881 8.916 1.00 0.00 H ATOM 31 H ASP A 2 74.305 13.393 11.450 1.00 0.00 H ATOM 32 N ASP A 3 72.045 10.726 9.418 1.00 0.00 N ATOM 33 CA ASP A 3 71.581 9.362 9.839 1.00 0.00 C ATOM 34 C ASP A 3 70.481 9.473 10.910 1.00 0.00 C ATOM 35 O ASP A 3 70.500 8.787 11.914 1.00 0.00 O ATOM 36 CB ASP A 3 72.832 8.672 10.398 1.00 0.00 C ATOM 37 CG ASP A 3 72.712 7.157 10.222 1.00 0.00 C ATOM 38 OD1 ASP A 3 71.993 6.544 10.994 1.00 0.00 O ATOM 39 OD2 ASP A 3 73.346 6.633 9.322 1.00 0.00 O ATOM 40 HA ASP A 3 71.147 8.799 9.013 1.00 0.00 H ATOM 41 HB2 ASP A 3 73.712 9.030 9.864 1.00 0.00 H ATOM 42 HB3 ASP A 3 72.932 8.907 11.458 1.00 0.00 H ATOM 43 H ASP A 3 72.043 10.980 8.410 1.00 0.00 H ATOM 44 N ILE A 4 69.517 10.335 10.699 1.00 0.00 N ATOM 45 CA ILE A 4 68.418 10.488 11.703 1.00 0.00 C ATOM 46 C ILE A 4 67.304 9.470 11.423 1.00 0.00 C ATOM 47 O ILE A 4 66.786 8.843 12.328 1.00 0.00 O ATOM 48 CB ILE A 4 67.904 11.925 11.532 1.00 0.00 C ATOM 49 CG1 ILE A 4 69.013 12.918 11.906 1.00 0.00 C ATOM 50 CG2 ILE A 4 66.700 12.153 12.451 1.00 0.00 C ATOM 51 CD1 ILE A 4 69.358 13.792 10.698 1.00 0.00 C ATOM 52 HA ILE A 4 68.762 10.308 12.721 1.00 0.00 H ATOM 53 HB ILE A 4 67.609 12.077 10.494 1.00 0.00 H ATOM 54 HG12 ILE A 4 68.671 13.551 12.725 1.00 0.00 H ATOM 55 HG13 ILE A 4 69.900 12.368 12.220 1.00 0.00 H ATOM 56 HD11 ILE A 4 69.702 13.159 9.880 1.00 0.00 H ATOM 57 HD12 ILE A 4 68.471 14.343 10.385 1.00 0.00 H ATOM 58 HD13 ILE A 4 70.146 14.494 10.972 1.00 0.00 H ATOM 59 HG21 ILE A 4 65.908 11.451 12.191 1.00 0.00 H ATOM 60 HG22 ILE A 4 67.000 11.996 13.487 1.00 0.00 H ATOM 61 HG23 ILE A 4 66.338 13.174 12.327 1.00 0.00 H ATOM 62 H ILE A 4 69.516 10.913 9.834 1.00 0.00 H ATOM 63 N TYR A 5 66.933 9.297 10.176 1.00 0.00 N ATOM 64 CA TYR A 5 65.854 8.315 9.844 1.00 0.00 C ATOM 65 C TYR A 5 66.356 6.876 10.035 1.00 0.00 C ATOM 66 O TYR A 5 65.626 6.022 10.501 1.00 0.00 O ATOM 67 CB TYR A 5 65.488 8.587 8.379 1.00 0.00 C ATOM 68 CG TYR A 5 64.378 9.612 8.328 1.00 0.00 C ATOM 69 CD1 TYR A 5 63.104 9.287 8.809 1.00 0.00 C ATOM 70 CD2 TYR A 5 64.625 10.891 7.813 1.00 0.00 C ATOM 71 CE1 TYR A 5 62.079 10.240 8.773 1.00 0.00 C ATOM 72 CE2 TYR A 5 63.598 11.843 7.780 1.00 0.00 C ATOM 73 CZ TYR A 5 62.326 11.516 8.260 1.00 0.00 C ATOM 74 OH TYR A 5 61.314 12.453 8.229 1.00 0.00 O ATOM 75 HA TYR A 5 64.987 8.426 10.496 1.00 0.00 H ATOM 76 HB3 TYR A 5 65.153 7.663 7.908 1.00 0.00 H ATOM 77 HB2 TYR A 5 66.361 8.968 7.849 1.00 0.00 H ATOM 78 HD2 TYR A 5 65.616 11.145 7.438 1.00 0.00 H ATOM 79 HE2 TYR A 5 63.790 12.839 7.380 1.00 0.00 H ATOM 80 HE1 TYR A 5 61.087 9.986 9.146 1.00 0.00 H ATOM 81 HD1 TYR A 5 62.910 8.293 9.211 1.00 0.00 H ATOM 82 HH TYR A 5 60.488 12.057 8.604 1.00 0.00 H ATOM 83 H TYR A 5 67.390 9.843 9.418 1.00 0.00 H ATOM 84 N LYS A 6 67.596 6.600 9.696 1.00 0.00 N ATOM 85 CA LYS A 6 68.123 5.210 9.883 1.00 0.00 C ATOM 86 C LYS A 6 68.297 4.910 11.379 1.00 0.00 C ATOM 87 O LYS A 6 68.120 3.787 11.811 1.00 0.00 O ATOM 88 CB LYS A 6 69.468 5.160 9.154 1.00 0.00 C ATOM 89 CG LYS A 6 69.699 3.736 8.630 1.00 0.00 C ATOM 90 CD LYS A 6 70.785 3.044 9.460 1.00 0.00 C ATOM 91 CE LYS A 6 72.144 3.691 9.184 1.00 0.00 C ATOM 92 NZ LYS A 6 72.751 3.905 10.530 1.00 0.00 N ATOM 93 HA LYS A 6 67.438 4.462 9.484 1.00 0.00 H ATOM 94 HB2 LYS A 6 69.458 5.860 8.319 1.00 0.00 H ATOM 95 HB3 LYS A 6 70.268 5.431 9.843 1.00 0.00 H ATOM 96 HG2 LYS A 6 68.771 3.169 8.704 1.00 0.00 H ATOM 97 HG3 LYS A 6 70.014 3.781 7.588 1.00 0.00 H ATOM 98 HD2 LYS A 6 70.547 3.141 10.519 1.00 0.00 H ATOM 99 HD3 LYS A 6 70.826 1.988 9.193 1.00 0.00 H ATOM 100 HE2 LYS A 6 72.018 4.641 8.665 1.00 0.00 H ATOM 101 HE3 LYS A 6 72.768 3.030 8.583 1.00 0.00 H ATOM 102 HZ1 LYS A 6 72.136 4.528 11.091 1.00 0.00 H ATOM 103 HZ2 LYS A 6 72.852 2.989 11.013 1.00 0.00 H ATOM 104 HZ3 LYS A 6 73.686 4.346 10.421 1.00 0.00 H ATOM 105 H LYS A 6 68.208 7.342 9.300 1.00 0.00 H ATOM 106 N ALA A 7 68.617 5.908 12.175 1.00 0.00 N ATOM 107 CA ALA A 7 68.767 5.678 13.647 1.00 0.00 C ATOM 108 C ALA A 7 67.474 5.055 14.197 1.00 0.00 C ATOM 109 O ALA A 7 67.504 4.136 14.994 1.00 0.00 O ATOM 110 CB ALA A 7 68.999 7.064 14.251 1.00 0.00 C ATOM 111 HA ALA A 7 69.586 4.999 13.886 1.00 0.00 H ATOM 112 HB1 ALA A 7 69.900 7.500 13.820 1.00 0.00 H ATOM 113 HB2 ALA A 7 68.144 7.703 14.031 1.00 0.00 H ATOM 114 HB3 ALA A 7 69.118 6.973 15.331 1.00 0.00 H ATOM 115 H ALA A 7 68.766 6.859 11.781 1.00 0.00 H ATOM 116 N ALA A 8 66.339 5.540 13.744 1.00 0.00 N ATOM 117 CA ALA A 8 65.034 4.971 14.199 1.00 0.00 C ATOM 118 C ALA A 8 64.860 3.563 13.615 1.00 0.00 C ATOM 119 O ALA A 8 64.350 2.673 14.264 1.00 0.00 O ATOM 120 CB ALA A 8 63.969 5.921 13.642 1.00 0.00 C ATOM 121 HA ALA A 8 64.967 4.885 15.284 1.00 0.00 H ATOM 122 HB1 ALA A 8 64.132 6.922 14.041 1.00 0.00 H ATOM 123 HB2 ALA A 8 64.039 5.946 12.555 1.00 0.00 H ATOM 124 HB3 ALA A 8 62.980 5.568 13.935 1.00 0.00 H ATOM 125 H ALA A 8 66.349 6.326 13.063 1.00 0.00 H ATOM 126 N VAL A 9 65.301 3.360 12.395 1.00 0.00 N ATOM 127 CA VAL A 9 65.189 2.009 11.753 1.00 0.00 C ATOM 128 C VAL A 9 65.970 0.975 12.577 1.00 0.00 C ATOM 129 O VAL A 9 65.487 -0.111 12.842 1.00 0.00 O ATOM 130 CB VAL A 9 65.816 2.184 10.361 1.00 0.00 C ATOM 131 CG1 VAL A 9 65.987 0.823 9.677 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.910 3.068 9.501 1.00 0.00 C ATOM 133 HA VAL A 9 64.160 1.655 11.692 1.00 0.00 H ATOM 134 HB VAL A 9 66.794 2.651 10.474 1.00 0.00 H ATOM 135 HG11 VAL A 9 66.637 0.192 10.283 1.00 0.00 H ATOM 136 HG12 VAL A 9 65.013 0.346 9.571 1.00 0.00 H ATOM 137 HG13 VAL A 9 66.432 0.966 8.692 1.00 0.00 H ATOM 138 HG21 VAL A 9 63.932 2.597 9.403 1.00 0.00 H ATOM 139 HG22 VAL A 9 64.799 4.043 9.976 1.00 0.00 H ATOM 140 HG23 VAL A 9 65.356 3.191 8.514 1.00 0.00 H ATOM 141 H VAL A 9 65.733 4.145 11.868 1.00 0.00 H ATOM 142 N GLU A 10 67.170 1.312 12.988 1.00 0.00 N ATOM 143 CA GLU A 10 67.989 0.360 13.804 1.00 0.00 C ATOM 144 C GLU A 10 67.327 0.132 15.168 1.00 0.00 C ATOM 145 O GLU A 10 67.195 -0.989 15.621 1.00 0.00 O ATOM 146 CB GLU A 10 69.347 1.045 13.975 1.00 0.00 C ATOM 147 CG GLU A 10 70.121 0.985 12.655 1.00 0.00 C ATOM 148 CD GLU A 10 71.232 2.039 12.655 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.920 3.207 12.831 1.00 0.00 O ATOM 150 OE2 GLU A 10 72.377 1.663 12.470 1.00 0.00 O ATOM 151 HA GLU A 10 68.084 -0.616 13.327 1.00 0.00 H ATOM 152 HB2 GLU A 10 69.195 2.086 14.260 1.00 0.00 H ATOM 153 HB3 GLU A 10 69.916 0.535 14.753 1.00 0.00 H ATOM 154 HG2 GLU A 10 70.562 -0.005 12.538 1.00 0.00 H ATOM 155 HG3 GLU A 10 69.439 1.178 11.827 1.00 0.00 H ATOM 156 H GLU A 10 67.555 2.247 12.745 1.00 0.00 H ATOM 157 N GLN A 11 66.904 1.189 15.819 1.00 0.00 N ATOM 158 CA GLN A 11 66.245 1.041 17.145 1.00 0.00 C ATOM 159 C GLN A 11 64.769 0.645 16.949 1.00 0.00 C ATOM 160 O GLN A 11 64.434 -0.526 16.971 1.00 0.00 O ATOM 161 CB GLN A 11 66.389 2.426 17.795 1.00 0.00 C ATOM 162 CG GLN A 11 65.609 2.468 19.109 1.00 0.00 C ATOM 163 CD GLN A 11 66.578 2.385 20.290 1.00 0.00 C ATOM 164 OE1 GLN A 11 66.774 1.329 20.854 1.00 0.00 O ATOM 165 NE2 GLN A 11 67.198 3.460 20.690 1.00 0.00 N ATOM 166 HA GLN A 11 66.686 0.263 17.768 1.00 0.00 H ATOM 167 HB2 GLN A 11 67.442 2.625 17.993 1.00 0.00 H ATOM 168 HB3 GLN A 11 65.998 3.186 17.118 1.00 0.00 H ATOM 169 HG2 GLN A 11 65.047 3.400 19.167 1.00 0.00 H ATOM 170 HG3 GLN A 11 64.918 1.626 19.147 1.00 0.00 H ATOM 171 HE22 GLN A 11 67.031 4.366 20.208 1.00 0.00 H ATOM 172 HE21 GLN A 11 67.859 3.411 21.491 1.00 0.00 H ATOM 173 H GLN A 11 67.030 2.135 15.406 1.00 0.00 H ATOM 174 N LEU A 12 63.892 1.607 16.742 1.00 0.00 N ATOM 175 CA LEU A 12 62.439 1.297 16.531 1.00 0.00 C ATOM 176 C LEU A 12 61.889 0.422 17.672 1.00 0.00 C ATOM 177 O LEU A 12 62.450 0.364 18.752 1.00 0.00 O ATOM 178 CB LEU A 12 62.385 0.547 15.189 1.00 0.00 C ATOM 179 CG LEU A 12 61.607 1.371 14.156 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.860 0.806 12.757 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.109 1.305 14.463 1.00 0.00 C ATOM 182 HA LEU A 12 61.827 2.199 16.521 1.00 0.00 H ATOM 183 HB2 LEU A 12 63.400 0.380 14.828 1.00 0.00 H ATOM 184 HB3 LEU A 12 61.889 -0.413 15.332 1.00 0.00 H ATOM 185 HG LEU A 12 61.941 2.408 14.200 1.00 0.00 H ATOM 186 HD21 LEU A 12 59.776 0.268 14.422 1.00 0.00 H ATOM 187 HD22 LEU A 12 59.925 1.708 15.459 1.00 0.00 H ATOM 188 HD23 LEU A 12 59.562 1.892 13.726 1.00 0.00 H ATOM 189 HD11 LEU A 12 62.926 0.855 12.534 1.00 0.00 H ATOM 190 HD12 LEU A 12 61.528 -0.231 12.720 1.00 0.00 H ATOM 191 HD13 LEU A 12 61.306 1.393 12.024 1.00 0.00 H ATOM 192 H LEU A 12 64.212 2.596 16.725 1.00 0.00 H ATOM 193 N THR A 13 60.796 -0.256 17.437 1.00 0.00 N ATOM 194 CA THR A 13 60.199 -1.133 18.491 1.00 0.00 C ATOM 195 C THR A 13 59.623 -2.394 17.853 1.00 0.00 C ATOM 196 O THR A 13 59.272 -2.404 16.689 1.00 0.00 O ATOM 197 CB THR A 13 59.095 -0.302 19.161 1.00 0.00 C ATOM 198 OG1 THR A 13 58.185 -1.174 19.814 1.00 0.00 O ATOM 199 CG2 THR A 13 58.344 0.520 18.115 1.00 0.00 C ATOM 200 HA THR A 13 60.941 -1.454 19.222 1.00 0.00 H ATOM 201 HB THR A 13 59.548 0.375 19.885 1.00 0.00 H ATOM 202 HG1 THR A 13 57.472 -0.641 20.247 1.00 0.00 H ATOM 203 HG23 THR A 13 59.041 1.190 17.612 1.00 0.00 H ATOM 204 HG21 THR A 13 57.892 -0.150 17.384 1.00 0.00 H ATOM 205 HG22 THR A 13 57.565 1.104 18.605 1.00 0.00 H ATOM 206 H THR A 13 60.337 -0.185 16.507 1.00 0.00 H ATOM 207 N GLU A 14 59.532 -3.458 18.607 1.00 0.00 N ATOM 208 CA GLU A 14 58.988 -4.730 18.051 1.00 0.00 C ATOM 209 C GLU A 14 57.606 -4.509 17.422 1.00 0.00 C ATOM 210 O GLU A 14 57.296 -5.055 16.380 1.00 0.00 O ATOM 211 CB GLU A 14 58.891 -5.685 19.235 1.00 0.00 C ATOM 212 CG GLU A 14 59.559 -7.006 18.850 1.00 0.00 C ATOM 213 CD GLU A 14 58.781 -7.666 17.708 1.00 0.00 C ATOM 214 OE1 GLU A 14 57.734 -8.231 17.977 1.00 0.00 O ATOM 215 OE2 GLU A 14 59.247 -7.595 16.583 1.00 0.00 O ATOM 216 HA GLU A 14 59.628 -5.125 17.262 1.00 0.00 H ATOM 217 HB2 GLU A 14 59.399 -5.254 20.098 1.00 0.00 H ATOM 218 HB3 GLU A 14 57.844 -5.860 19.481 1.00 0.00 H ATOM 219 HG2 GLU A 14 60.582 -6.814 18.528 1.00 0.00 H ATOM 220 HG3 GLU A 14 59.570 -7.672 19.713 1.00 0.00 H ATOM 221 H GLU A 14 59.841 -3.417 19.599 1.00 0.00 H ATOM 222 N GLU A 15 56.779 -3.704 18.046 1.00 0.00 N ATOM 223 CA GLU A 15 55.414 -3.433 17.492 1.00 0.00 C ATOM 224 C GLU A 15 55.509 -2.909 16.050 1.00 0.00 C ATOM 225 O GLU A 15 54.786 -3.346 15.177 1.00 0.00 O ATOM 226 CB GLU A 15 54.811 -2.366 18.412 1.00 0.00 C ATOM 227 CG GLU A 15 54.364 -3.012 19.729 1.00 0.00 C ATOM 228 CD GLU A 15 55.432 -2.786 20.804 1.00 0.00 C ATOM 229 OE1 GLU A 15 55.436 -1.719 21.395 1.00 0.00 O ATOM 230 OE2 GLU A 15 56.228 -3.687 21.017 1.00 0.00 O ATOM 231 HA GLU A 15 54.803 -4.335 17.458 1.00 0.00 H ATOM 232 HB2 GLU A 15 55.559 -1.601 18.619 1.00 0.00 H ATOM 233 HB3 GLU A 15 53.951 -1.909 17.922 1.00 0.00 H ATOM 234 HG2 GLU A 15 53.424 -2.564 20.052 1.00 0.00 H ATOM 235 HG3 GLU A 15 54.222 -4.082 19.578 1.00 0.00 H ATOM 236 H GLU A 15 57.074 -3.250 18.934 1.00 0.00 H ATOM 237 N GLN A 16 56.399 -1.978 15.797 1.00 0.00 N ATOM 238 CA GLN A 16 56.543 -1.426 14.411 1.00 0.00 C ATOM 239 C GLN A 16 57.490 -2.290 13.572 1.00 0.00 C ATOM 240 O GLN A 16 57.321 -2.429 12.376 1.00 0.00 O ATOM 241 CB GLN A 16 57.122 -0.021 14.591 1.00 0.00 C ATOM 242 CG GLN A 16 56.012 0.954 15.000 1.00 0.00 C ATOM 243 CD GLN A 16 56.576 2.376 15.041 1.00 0.00 C ATOM 244 OE1 GLN A 16 57.438 2.677 15.841 1.00 0.00 O ATOM 245 NE2 GLN A 16 56.128 3.269 14.204 1.00 0.00 N ATOM 246 HA GLN A 16 55.588 -1.411 13.886 1.00 0.00 H ATOM 247 HB2 GLN A 16 57.888 -0.042 15.366 1.00 0.00 H ATOM 248 HB3 GLN A 16 57.566 0.310 13.652 1.00 0.00 H ATOM 249 HG2 GLN A 16 55.199 0.905 14.275 1.00 0.00 H ATOM 250 HG3 GLN A 16 55.635 0.683 15.986 1.00 0.00 H ATOM 251 HE22 GLN A 16 55.390 3.014 13.517 1.00 0.00 H ATOM 252 HE21 GLN A 16 56.509 4.237 14.223 1.00 0.00 H ATOM 253 H GLN A 16 57.007 -1.622 16.562 1.00 0.00 H ATOM 254 N LYS A 17 58.480 -2.866 14.193 1.00 0.00 N ATOM 255 CA LYS A 17 59.453 -3.728 13.444 1.00 0.00 C ATOM 256 C LYS A 17 58.740 -4.968 12.893 1.00 0.00 C ATOM 257 O LYS A 17 58.800 -5.250 11.710 1.00 0.00 O ATOM 258 CB LYS A 17 60.524 -4.123 14.468 1.00 0.00 C ATOM 259 CG LYS A 17 61.854 -4.384 13.751 1.00 0.00 C ATOM 260 CD LYS A 17 62.687 -3.097 13.723 1.00 0.00 C ATOM 261 CE LYS A 17 63.603 -3.044 14.950 1.00 0.00 C ATOM 262 NZ LYS A 17 64.801 -2.269 14.507 1.00 0.00 N ATOM 263 HA LYS A 17 59.891 -3.209 12.592 1.00 0.00 H ATOM 264 HB2 LYS A 17 60.653 -3.315 15.188 1.00 0.00 H ATOM 265 HB3 LYS A 17 60.210 -5.027 14.990 1.00 0.00 H ATOM 266 HG2 LYS A 17 62.405 -5.161 14.280 1.00 0.00 H ATOM 267 HG3 LYS A 17 61.658 -4.711 12.730 1.00 0.00 H ATOM 268 HD2 LYS A 17 63.293 -3.078 12.817 1.00 0.00 H ATOM 269 HD3 LYS A 17 62.021 -2.234 13.731 1.00 0.00 H ATOM 270 HE2 LYS A 17 63.890 -4.050 15.258 1.00 0.00 H ATOM 271 HE3 LYS A 17 63.105 -2.540 15.778 1.00 0.00 H ATOM 272 HZ1 LYS A 17 65.255 -2.760 13.710 1.00 0.00 H ATOM 273 HZ2 LYS A 17 64.506 -1.318 14.207 1.00 0.00 H ATOM 274 HZ3 LYS A 17 65.474 -2.192 15.296 1.00 0.00 H ATOM 275 H LYS A 17 58.597 -2.727 15.217 1.00 0.00 H ATOM 276 N ASN A 18 58.049 -5.696 13.738 1.00 0.00 N ATOM 277 CA ASN A 18 57.309 -6.906 13.259 1.00 0.00 C ATOM 278 C ASN A 18 56.237 -6.482 12.246 1.00 0.00 C ATOM 279 O ASN A 18 55.932 -7.204 11.314 1.00 0.00 O ATOM 280 CB ASN A 18 56.665 -7.512 14.510 1.00 0.00 C ATOM 281 CG ASN A 18 56.773 -9.036 14.455 1.00 0.00 C ATOM 282 OD1 ASN A 18 55.951 -9.694 13.851 1.00 0.00 O ATOM 283 ND2 ASN A 18 57.759 -9.632 15.063 1.00 0.00 N ATOM 284 HA ASN A 18 57.961 -7.625 12.762 1.00 0.00 H ATOM 285 HB2 ASN A 18 57.179 -7.143 15.398 1.00 0.00 H ATOM 286 HB3 ASN A 18 55.615 -7.224 14.554 1.00 0.00 H ATOM 287 HD22 ASN A 18 58.465 -9.071 15.581 1.00 0.00 H ATOM 288 HD21 ASN A 18 57.840 -10.668 15.030 1.00 0.00 H ATOM 289 H ASN A 18 58.015 -5.432 14.743 1.00 0.00 H ATOM 290 N GLU A 19 55.679 -5.305 12.415 1.00 0.00 N ATOM 291 CA GLU A 19 54.643 -4.812 11.456 1.00 0.00 C ATOM 292 C GLU A 19 55.252 -4.695 10.052 1.00 0.00 C ATOM 293 O GLU A 19 54.664 -5.126 9.078 1.00 0.00 O ATOM 294 CB GLU A 19 54.224 -3.436 11.985 1.00 0.00 C ATOM 295 CG GLU A 19 52.836 -3.537 12.625 1.00 0.00 C ATOM 296 CD GLU A 19 51.761 -3.390 11.546 1.00 0.00 C ATOM 297 OE1 GLU A 19 51.428 -4.389 10.928 1.00 0.00 O ATOM 298 OE2 GLU A 19 51.290 -2.282 11.356 1.00 0.00 O ATOM 299 HA GLU A 19 53.790 -5.486 11.381 1.00 0.00 H ATOM 300 HB2 GLU A 19 54.944 -3.098 12.730 1.00 0.00 H ATOM 301 HB3 GLU A 19 54.194 -2.723 11.161 1.00 0.00 H ATOM 302 HG2 GLU A 19 52.731 -4.506 13.113 1.00 0.00 H ATOM 303 HG3 GLU A 19 52.719 -2.745 13.365 1.00 0.00 H ATOM 304 H GLU A 19 55.960 -4.712 13.222 1.00 0.00 H ATOM 305 N PHE A 20 56.438 -4.136 9.945 1.00 0.00 N ATOM 306 CA PHE A 20 57.094 -4.017 8.603 1.00 0.00 C ATOM 307 C PHE A 20 57.352 -5.420 8.034 1.00 0.00 C ATOM 308 O PHE A 20 57.224 -5.645 6.847 1.00 0.00 O ATOM 309 CB PHE A 20 58.414 -3.268 8.846 1.00 0.00 C ATOM 310 CG PHE A 20 58.131 -1.802 9.105 1.00 0.00 C ATOM 311 CD1 PHE A 20 57.193 -1.108 8.322 1.00 0.00 C ATOM 312 CD2 PHE A 20 58.809 -1.136 10.134 1.00 0.00 C ATOM 313 CE1 PHE A 20 56.939 0.246 8.572 1.00 0.00 C ATOM 314 CE2 PHE A 20 58.554 0.218 10.382 1.00 0.00 C ATOM 315 CZ PHE A 20 57.619 0.909 9.602 1.00 0.00 C ATOM 316 HA PHE A 20 56.473 -3.484 7.883 1.00 0.00 H ATOM 317 HB2 PHE A 20 58.921 -3.697 9.710 1.00 0.00 H ATOM 318 HB3 PHE A 20 59.052 -3.364 7.968 1.00 0.00 H ATOM 319 HD2 PHE A 20 59.536 -1.673 10.743 1.00 0.00 H ATOM 320 HE2 PHE A 20 59.084 0.734 11.183 1.00 0.00 H ATOM 321 HZ PHE A 20 57.420 1.963 9.796 1.00 0.00 H ATOM 322 HE1 PHE A 20 56.212 0.785 7.965 1.00 0.00 H ATOM 323 HD1 PHE A 20 56.664 -1.623 7.521 1.00 0.00 H ATOM 324 H PHE A 20 56.921 -3.776 10.793 1.00 0.00 H ATOM 325 N LYS A 21 57.686 -6.367 8.880 1.00 0.00 N ATOM 326 CA LYS A 21 57.922 -7.766 8.400 1.00 0.00 C ATOM 327 C LYS A 21 56.609 -8.344 7.846 1.00 0.00 C ATOM 328 O LYS A 21 56.583 -8.920 6.776 1.00 0.00 O ATOM 329 CB LYS A 21 58.402 -8.537 9.644 1.00 0.00 C ATOM 330 CG LYS A 21 58.055 -10.028 9.532 1.00 0.00 C ATOM 331 CD LYS A 21 58.752 -10.632 8.307 1.00 0.00 C ATOM 332 CE LYS A 21 58.191 -12.030 8.031 1.00 0.00 C ATOM 333 NZ LYS A 21 56.995 -11.807 7.164 1.00 0.00 N ATOM 334 HA LYS A 21 58.655 -7.826 7.596 1.00 0.00 H ATOM 335 HB2 LYS A 21 59.483 -8.428 9.737 1.00 0.00 H ATOM 336 HB3 LYS A 21 57.919 -8.123 10.529 1.00 0.00 H ATOM 337 HG2 LYS A 21 58.389 -10.546 10.431 1.00 0.00 H ATOM 338 HG3 LYS A 21 56.976 -10.142 9.428 1.00 0.00 H ATOM 339 HD2 LYS A 21 58.579 -9.994 7.440 1.00 0.00 H ATOM 340 HD3 LYS A 21 59.823 -10.702 8.497 1.00 0.00 H ATOM 341 HE2 LYS A 21 57.903 -12.518 8.962 1.00 0.00 H ATOM 342 HE3 LYS A 21 58.929 -12.643 7.514 1.00 0.00 H ATOM 343 HZ1 LYS A 21 56.308 -11.212 7.669 1.00 0.00 H ATOM 344 HZ2 LYS A 21 57.288 -11.332 6.287 1.00 0.00 H ATOM 345 HZ3 LYS A 21 56.559 -12.723 6.935 1.00 0.00 H ATOM 346 H LYS A 21 57.787 -6.144 9.891 1.00 0.00 H ATOM 347 N ALA A 22 55.522 -8.175 8.563 1.00 0.00 N ATOM 348 CA ALA A 22 54.202 -8.692 8.079 1.00 0.00 C ATOM 349 C ALA A 22 53.758 -7.922 6.822 1.00 0.00 C ATOM 350 O ALA A 22 53.095 -8.461 5.959 1.00 0.00 O ATOM 351 CB ALA A 22 53.227 -8.446 9.234 1.00 0.00 C ATOM 352 HA ALA A 22 54.248 -9.746 7.806 1.00 0.00 H ATOM 353 HB1 ALA A 22 53.569 -8.985 10.118 1.00 0.00 H ATOM 354 HB2 ALA A 22 53.185 -7.379 9.451 1.00 0.00 H ATOM 355 HB3 ALA A 22 52.235 -8.800 8.952 1.00 0.00 H ATOM 356 H ALA A 22 55.578 -7.678 9.475 1.00 0.00 H ATOM 357 N ALA A 23 54.126 -6.667 6.713 1.00 0.00 N ATOM 358 CA ALA A 23 53.737 -5.867 5.509 1.00 0.00 C ATOM 359 C ALA A 23 54.769 -6.043 4.378 1.00 0.00 C ATOM 360 O ALA A 23 54.564 -5.582 3.271 1.00 0.00 O ATOM 361 CB ALA A 23 53.715 -4.411 5.990 1.00 0.00 C ATOM 362 HA ALA A 23 52.775 -6.183 5.105 1.00 0.00 H ATOM 363 HB1 ALA A 23 52.988 -4.307 6.795 1.00 0.00 H ATOM 364 HB2 ALA A 23 54.705 -4.135 6.354 1.00 0.00 H ATOM 365 HB3 ALA A 23 53.437 -3.760 5.161 1.00 0.00 H ATOM 366 H ALA A 23 54.691 -6.226 7.467 1.00 0.00 H ATOM 367 N PHE A 24 55.876 -6.694 4.650 1.00 0.00 N ATOM 368 CA PHE A 24 56.925 -6.884 3.598 1.00 0.00 C ATOM 369 C PHE A 24 56.667 -8.149 2.762 1.00 0.00 C ATOM 370 O PHE A 24 56.698 -8.101 1.547 1.00 0.00 O ATOM 371 CB PHE A 24 58.240 -7.013 4.380 1.00 0.00 C ATOM 372 CG PHE A 24 59.390 -7.245 3.426 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.920 -6.176 2.694 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.927 -8.528 3.278 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.988 -6.390 1.814 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.995 -8.743 2.399 1.00 0.00 C ATOM 377 CZ PHE A 24 61.526 -7.673 1.667 1.00 0.00 C ATOM 378 HA PHE A 24 56.937 -6.056 2.889 1.00 0.00 H ATOM 379 HB2 PHE A 24 58.417 -6.096 4.943 1.00 0.00 H ATOM 380 HB3 PHE A 24 58.169 -7.853 5.070 1.00 0.00 H ATOM 381 HD2 PHE A 24 59.514 -9.361 3.847 1.00 0.00 H ATOM 382 HE2 PHE A 24 61.413 -9.743 2.284 1.00 0.00 H ATOM 383 HZ PHE A 24 62.358 -7.840 0.983 1.00 0.00 H ATOM 384 HE1 PHE A 24 61.400 -5.557 1.244 1.00 0.00 H ATOM 385 HD1 PHE A 24 59.501 -5.176 2.809 1.00 0.00 H ATOM 386 H PHE A 24 56.026 -7.081 5.604 1.00 0.00 H ATOM 387 N ASP A 25 56.435 -9.280 3.391 1.00 0.00 N ATOM 388 CA ASP A 25 56.205 -10.542 2.607 1.00 0.00 C ATOM 389 C ASP A 25 55.014 -10.399 1.643 1.00 0.00 C ATOM 390 O ASP A 25 55.062 -10.880 0.528 1.00 0.00 O ATOM 391 CB ASP A 25 55.968 -11.652 3.645 1.00 0.00 C ATOM 392 CG ASP A 25 54.715 -11.366 4.477 1.00 0.00 C ATOM 393 OD1 ASP A 25 54.834 -10.663 5.464 1.00 0.00 O ATOM 394 OD2 ASP A 25 53.664 -11.868 4.120 1.00 0.00 O ATOM 395 HA ASP A 25 57.063 -10.775 1.976 1.00 0.00 H ATOM 396 HB2 ASP A 25 55.844 -12.603 3.128 1.00 0.00 H ATOM 397 HB3 ASP A 25 56.831 -11.711 4.308 1.00 0.00 H ATOM 398 H ASP A 25 56.411 -9.302 4.430 1.00 0.00 H ATOM 399 N ILE A 26 53.957 -9.730 2.043 1.00 0.00 N ATOM 400 CA ILE A 26 52.795 -9.558 1.110 1.00 0.00 C ATOM 401 C ILE A 26 53.223 -8.689 -0.083 1.00 0.00 C ATOM 402 O ILE A 26 52.800 -8.910 -1.202 1.00 0.00 O ATOM 403 CB ILE A 26 51.694 -8.860 1.923 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.233 -9.769 3.068 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.499 -8.562 1.014 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.673 -8.911 4.206 1.00 0.00 C ATOM 407 HA ILE A 26 52.441 -10.510 0.716 1.00 0.00 H ATOM 408 HB ILE A 26 52.091 -7.931 2.333 1.00 0.00 H ATOM 409 HG12 ILE A 26 50.458 -10.445 2.707 1.00 0.00 H ATOM 410 HG13 ILE A 26 52.079 -10.351 3.434 1.00 0.00 H ATOM 411 HD11 ILE A 26 51.449 -8.236 4.567 1.00 0.00 H ATOM 412 HD12 ILE A 26 49.827 -8.330 3.839 1.00 0.00 H ATOM 413 HD13 ILE A 26 50.345 -9.558 5.020 1.00 0.00 H ATOM 414 HG21 ILE A 26 50.817 -7.912 0.199 1.00 0.00 H ATOM 415 HG22 ILE A 26 50.113 -9.496 0.606 1.00 0.00 H ATOM 416 HG23 ILE A 26 49.719 -8.067 1.592 1.00 0.00 H ATOM 417 H ILE A 26 53.926 -9.323 2.999 1.00 0.00 H ATOM 418 N PHE A 27 54.076 -7.714 0.146 1.00 0.00 N ATOM 419 CA PHE A 27 54.551 -6.849 -0.980 1.00 0.00 C ATOM 420 C PHE A 27 55.388 -7.693 -1.949 1.00 0.00 C ATOM 421 O PHE A 27 55.177 -7.670 -3.145 1.00 0.00 O ATOM 422 CB PHE A 27 55.414 -5.762 -0.328 1.00 0.00 C ATOM 423 CG PHE A 27 54.749 -4.416 -0.496 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.649 -3.838 -1.768 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.232 -3.747 0.618 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.030 -2.593 -1.923 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.613 -2.503 0.463 1.00 0.00 C ATOM 428 CZ PHE A 27 53.512 -1.926 -0.808 1.00 0.00 C ATOM 429 HA PHE A 27 53.728 -6.413 -1.547 1.00 0.00 H ATOM 430 HB2 PHE A 27 55.530 -5.979 0.734 1.00 0.00 H ATOM 431 HB3 PHE A 27 56.395 -5.744 -0.803 1.00 0.00 H ATOM 432 HD2 PHE A 27 54.312 -4.196 1.608 1.00 0.00 H ATOM 433 HE2 PHE A 27 53.209 -1.983 1.332 1.00 0.00 H ATOM 434 HZ PHE A 27 53.029 -0.956 -0.929 1.00 0.00 H ATOM 435 HE1 PHE A 27 53.951 -2.143 -2.913 1.00 0.00 H ATOM 436 HD1 PHE A 27 55.053 -4.358 -2.637 1.00 0.00 H ATOM 437 H PHE A 27 54.421 -7.544 1.112 1.00 0.00 H ATOM 438 N VAL A 28 56.324 -8.451 -1.429 1.00 0.00 N ATOM 439 CA VAL A 28 57.171 -9.323 -2.302 1.00 0.00 C ATOM 440 C VAL A 28 56.849 -10.801 -2.025 1.00 0.00 C ATOM 441 O VAL A 28 57.376 -11.402 -1.107 1.00 0.00 O ATOM 442 CB VAL A 28 58.635 -8.993 -1.946 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.833 -8.964 -0.426 1.00 0.00 C ATOM 444 CG2 VAL A 28 59.557 -10.056 -2.545 1.00 0.00 C ATOM 445 HA VAL A 28 56.986 -9.148 -3.362 1.00 0.00 H ATOM 446 HB VAL A 28 58.875 -8.011 -2.353 1.00 0.00 H ATOM 447 HG11 VAL A 28 58.185 -8.203 0.009 1.00 0.00 H ATOM 448 HG12 VAL A 28 58.581 -9.939 -0.009 1.00 0.00 H ATOM 449 HG13 VAL A 28 59.873 -8.729 -0.201 1.00 0.00 H ATOM 450 HG21 VAL A 28 59.295 -11.033 -2.139 1.00 0.00 H ATOM 451 HG22 VAL A 28 59.440 -10.068 -3.629 1.00 0.00 H ATOM 452 HG23 VAL A 28 60.591 -9.822 -2.293 1.00 0.00 H ATOM 453 H VAL A 28 56.479 -8.446 -0.401 1.00 0.00 H ATOM 454 N LEU A 29 55.985 -11.385 -2.814 1.00 0.00 N ATOM 455 CA LEU A 29 55.624 -12.825 -2.598 1.00 0.00 C ATOM 456 C LEU A 29 56.468 -13.718 -3.517 1.00 0.00 C ATOM 457 O LEU A 29 56.917 -14.777 -3.124 1.00 0.00 O ATOM 458 CB LEU A 29 54.129 -12.953 -2.948 1.00 0.00 C ATOM 459 CG LEU A 29 53.352 -11.714 -2.483 1.00 0.00 C ATOM 460 CD1 LEU A 29 52.615 -11.095 -3.672 1.00 0.00 C ATOM 461 CD2 LEU A 29 52.333 -12.124 -1.417 1.00 0.00 C ATOM 462 HA LEU A 29 55.814 -13.137 -1.571 1.00 0.00 H ATOM 463 HB2 LEU A 29 54.022 -13.058 -4.028 1.00 0.00 H ATOM 464 HB3 LEU A 29 53.721 -13.836 -2.457 1.00 0.00 H ATOM 465 HG LEU A 29 54.048 -10.986 -2.066 1.00 0.00 H ATOM 466 HD21 LEU A 29 51.640 -12.852 -1.839 1.00 0.00 H ATOM 467 HD22 LEU A 29 52.855 -12.567 -0.569 1.00 0.00 H ATOM 468 HD23 LEU A 29 51.781 -11.244 -1.086 1.00 0.00 H ATOM 469 HD11 LEU A 29 53.338 -10.805 -4.435 1.00 0.00 H ATOM 470 HD12 LEU A 29 51.920 -11.825 -4.087 1.00 0.00 H ATOM 471 HD13 LEU A 29 52.064 -10.215 -3.339 1.00 0.00 H ATOM 472 H LEU A 29 55.548 -10.851 -3.592 1.00 0.00 H ATOM 473 N GLY A 30 56.688 -13.290 -4.736 1.00 0.00 N ATOM 474 CA GLY A 30 57.508 -14.099 -5.688 1.00 0.00 C ATOM 475 C GLY A 30 58.490 -13.177 -6.412 1.00 0.00 C ATOM 476 O GLY A 30 58.513 -13.117 -7.625 1.00 0.00 O ATOM 477 HA3 GLY A 30 56.854 -14.580 -6.416 1.00 0.00 H ATOM 478 HA2 GLY A 30 58.060 -14.861 -5.138 1.00 0.00 H ATOM 479 H GLY A 30 56.289 -12.380 -5.043 1.00 0.00 H ATOM 480 N ALA A 31 59.297 -12.454 -5.676 1.00 0.00 N ATOM 481 CA ALA A 31 60.275 -11.529 -6.319 1.00 0.00 C ATOM 482 C ALA A 31 61.709 -11.914 -5.934 1.00 0.00 C ATOM 483 O ALA A 31 62.155 -11.668 -4.827 1.00 0.00 O ATOM 484 CB ALA A 31 59.918 -10.141 -5.782 1.00 0.00 C ATOM 485 HA ALA A 31 60.226 -11.567 -7.407 1.00 0.00 H ATOM 486 HB1 ALA A 31 58.892 -9.899 -6.059 1.00 0.00 H ATOM 487 HB2 ALA A 31 60.013 -10.137 -4.696 1.00 0.00 H ATOM 488 HB3 ALA A 31 60.595 -9.402 -6.210 1.00 0.00 H ATOM 489 H ALA A 31 59.256 -12.525 -4.639 1.00 0.00 H ATOM 490 N GLU A 32 62.429 -12.515 -6.854 1.00 0.00 N ATOM 491 CA GLU A 32 63.845 -12.930 -6.591 1.00 0.00 C ATOM 492 C GLU A 32 63.948 -13.758 -5.293 1.00 0.00 C ATOM 493 O GLU A 32 63.416 -14.849 -5.216 1.00 0.00 O ATOM 494 CB GLU A 32 64.632 -11.612 -6.504 1.00 0.00 C ATOM 495 CG GLU A 32 64.633 -10.930 -7.878 1.00 0.00 C ATOM 496 CD GLU A 32 63.803 -9.645 -7.823 1.00 0.00 C ATOM 497 OE1 GLU A 32 62.599 -9.729 -8.008 1.00 0.00 O ATOM 498 OE2 GLU A 32 64.385 -8.596 -7.604 1.00 0.00 O ATOM 499 HA GLU A 32 64.242 -13.577 -7.373 1.00 0.00 H ATOM 500 HB2 GLU A 32 64.163 -10.955 -5.772 1.00 0.00 H ATOM 501 HB3 GLU A 32 65.658 -11.820 -6.200 1.00 0.00 H ATOM 502 HG2 GLU A 32 65.657 -10.687 -8.160 1.00 0.00 H ATOM 503 HG3 GLU A 32 64.204 -11.606 -8.618 1.00 0.00 H ATOM 504 H GLU A 32 62.007 -12.707 -7.785 1.00 0.00 H ATOM 505 N ASP A 33 64.625 -13.265 -4.280 1.00 0.00 N ATOM 506 CA ASP A 33 64.754 -14.047 -3.010 1.00 0.00 C ATOM 507 C ASP A 33 63.992 -13.360 -1.863 1.00 0.00 C ATOM 508 O ASP A 33 64.428 -13.366 -0.727 1.00 0.00 O ATOM 509 CB ASP A 33 66.261 -14.078 -2.723 1.00 0.00 C ATOM 510 CG ASP A 33 66.728 -15.526 -2.566 1.00 0.00 C ATOM 511 OD1 ASP A 33 66.699 -16.019 -1.450 1.00 0.00 O ATOM 512 OD2 ASP A 33 67.110 -16.116 -3.562 1.00 0.00 O ATOM 513 HA ASP A 33 64.331 -15.048 -3.099 1.00 0.00 H ATOM 514 HB2 ASP A 33 66.797 -13.612 -3.550 1.00 0.00 H ATOM 515 HB3 ASP A 33 66.466 -13.529 -1.804 1.00 0.00 H ATOM 516 H ASP A 33 65.072 -12.329 -4.361 1.00 0.00 H ATOM 517 N GLY A 34 62.852 -12.777 -2.148 1.00 0.00 N ATOM 518 CA GLY A 34 62.062 -12.101 -1.072 1.00 0.00 C ATOM 519 C GLY A 34 62.440 -10.620 -0.991 1.00 0.00 C ATOM 520 O GLY A 34 62.584 -10.070 0.083 1.00 0.00 O ATOM 521 HA3 GLY A 34 62.272 -12.580 -0.116 1.00 0.00 H ATOM 522 HA2 GLY A 34 60.999 -12.190 -1.295 1.00 0.00 H ATOM 523 H GLY A 34 62.496 -12.785 -3.125 1.00 0.00 H ATOM 524 N CYS A 35 62.591 -9.968 -2.115 1.00 0.00 N ATOM 525 CA CYS A 35 62.946 -8.519 -2.105 1.00 0.00 C ATOM 526 C CYS A 35 61.944 -7.738 -2.962 1.00 0.00 C ATOM 527 O CYS A 35 61.751 -8.037 -4.126 1.00 0.00 O ATOM 528 CB CYS A 35 64.347 -8.444 -2.714 1.00 0.00 C ATOM 529 SG CYS A 35 65.538 -9.227 -1.597 1.00 0.00 S ATOM 530 HA CYS A 35 62.921 -8.090 -1.103 1.00 0.00 H ATOM 531 HB2 CYS A 35 64.622 -7.400 -2.864 1.00 0.00 H ATOM 532 HB3 CYS A 35 64.354 -8.962 -3.673 1.00 0.00 H ATOM 533 HG CYS A 35 66.800 -9.157 -2.151 1.00 0.00 H ATOM 534 H CYS A 35 62.463 -10.463 -3.021 1.00 0.00 H ATOM 535 N ILE A 36 61.301 -6.746 -2.397 1.00 0.00 N ATOM 536 CA ILE A 36 60.304 -5.949 -3.182 1.00 0.00 C ATOM 537 C ILE A 36 60.983 -5.306 -4.401 1.00 0.00 C ATOM 538 O ILE A 36 61.839 -4.452 -4.270 1.00 0.00 O ATOM 539 CB ILE A 36 59.779 -4.883 -2.209 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.935 -5.562 -1.125 1.00 0.00 C ATOM 541 CG2 ILE A 36 58.909 -3.869 -2.959 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.678 -4.580 0.021 1.00 0.00 C ATOM 543 HA ILE A 36 59.492 -6.565 -3.568 1.00 0.00 H ATOM 544 HB ILE A 36 60.625 -4.365 -1.756 1.00 0.00 H ATOM 545 HG12 ILE A 36 57.983 -5.878 -1.552 1.00 0.00 H ATOM 546 HG13 ILE A 36 59.468 -6.433 -0.743 1.00 0.00 H ATOM 547 HD11 ILE A 36 59.630 -4.265 0.448 1.00 0.00 H ATOM 548 HD12 ILE A 36 58.144 -3.710 -0.361 1.00 0.00 H ATOM 549 HD13 ILE A 36 58.078 -5.068 0.789 1.00 0.00 H ATOM 550 HG21 ILE A 36 59.503 -3.385 -3.734 1.00 0.00 H ATOM 551 HG22 ILE A 36 58.064 -4.385 -3.416 1.00 0.00 H ATOM 552 HG23 ILE A 36 58.543 -3.118 -2.259 1.00 0.00 H ATOM 553 H ILE A 36 61.483 -6.511 -1.400 1.00 0.00 H ATOM 554 N SER A 37 60.606 -5.723 -5.583 1.00 0.00 N ATOM 555 CA SER A 37 61.223 -5.153 -6.821 1.00 0.00 C ATOM 556 C SER A 37 60.225 -4.232 -7.541 1.00 0.00 C ATOM 557 O SER A 37 59.156 -3.944 -7.033 1.00 0.00 O ATOM 558 CB SER A 37 61.567 -6.371 -7.687 1.00 0.00 C ATOM 559 OG SER A 37 62.835 -6.168 -8.298 1.00 0.00 O ATOM 560 HA SER A 37 62.103 -4.547 -6.605 1.00 0.00 H ATOM 561 HB2 SER A 37 60.807 -6.497 -8.458 1.00 0.00 H ATOM 562 HB3 SER A 37 61.602 -7.264 -7.063 1.00 0.00 H ATOM 563 HG SER A 37 63.060 -6.953 -8.858 1.00 0.00 H ATOM 564 H SER A 37 59.872 -6.456 -5.662 1.00 0.00 H ATOM 565 N THR A 38 60.568 -3.767 -8.718 1.00 0.00 N ATOM 566 CA THR A 38 59.644 -2.858 -9.480 1.00 0.00 C ATOM 567 C THR A 38 58.297 -3.549 -9.750 1.00 0.00 C ATOM 568 O THR A 38 57.249 -2.947 -9.621 1.00 0.00 O ATOM 569 CB THR A 38 60.360 -2.558 -10.806 1.00 0.00 C ATOM 570 OG1 THR A 38 60.850 -3.768 -11.369 1.00 0.00 O ATOM 571 CG2 THR A 38 61.528 -1.600 -10.560 1.00 0.00 C ATOM 572 HA THR A 38 59.428 -1.950 -8.918 1.00 0.00 H ATOM 573 HB THR A 38 59.654 -2.096 -11.496 1.00 0.00 H ATOM 574 HG1 THR A 38 61.310 -3.571 -12.223 1.00 0.00 H ATOM 575 HG23 THR A 38 61.151 -0.673 -10.128 1.00 0.00 H ATOM 576 HG21 THR A 38 62.236 -2.061 -9.871 1.00 0.00 H ATOM 577 HG22 THR A 38 62.026 -1.386 -11.506 1.00 0.00 H ATOM 578 H THR A 38 61.487 -4.029 -9.128 1.00 0.00 H ATOM 579 N LYS A 39 58.323 -4.805 -10.129 1.00 0.00 N ATOM 580 CA LYS A 39 57.049 -5.542 -10.419 1.00 0.00 C ATOM 581 C LYS A 39 56.186 -5.685 -9.154 1.00 0.00 C ATOM 582 O LYS A 39 54.979 -5.532 -9.204 1.00 0.00 O ATOM 583 CB LYS A 39 57.493 -6.919 -10.920 1.00 0.00 C ATOM 584 CG LYS A 39 56.301 -7.646 -11.554 1.00 0.00 C ATOM 585 CD LYS A 39 56.801 -8.613 -12.631 1.00 0.00 C ATOM 586 CE LYS A 39 56.819 -7.905 -13.993 1.00 0.00 C ATOM 587 NZ LYS A 39 56.039 -8.790 -14.906 1.00 0.00 N ATOM 588 HA LYS A 39 56.437 -5.011 -11.148 1.00 0.00 H ATOM 589 HB2 LYS A 39 58.281 -6.798 -11.663 1.00 0.00 H ATOM 590 HB3 LYS A 39 57.872 -7.505 -10.083 1.00 0.00 H ATOM 591 HG2 LYS A 39 55.766 -8.204 -10.786 1.00 0.00 H ATOM 592 HG3 LYS A 39 55.629 -6.916 -12.005 1.00 0.00 H ATOM 593 HD2 LYS A 39 57.809 -8.945 -12.381 1.00 0.00 H ATOM 594 HD3 LYS A 39 56.137 -9.476 -12.680 1.00 0.00 H ATOM 595 HE2 LYS A 39 57.842 -7.792 -14.352 1.00 0.00 H ATOM 596 HE3 LYS A 39 56.351 -6.923 -13.920 1.00 0.00 H ATOM 597 HZ1 LYS A 39 56.495 -9.724 -14.955 1.00 0.00 H ATOM 598 HZ2 LYS A 39 55.070 -8.894 -14.542 1.00 0.00 H ATOM 599 HZ3 LYS A 39 56.010 -8.367 -15.856 1.00 0.00 H ATOM 600 H LYS A 39 59.235 -5.294 -10.229 1.00 0.00 H ATOM 601 N GLU A 40 56.789 -5.980 -8.026 1.00 0.00 N ATOM 602 CA GLU A 40 55.989 -6.133 -6.767 1.00 0.00 C ATOM 603 C GLU A 40 55.400 -4.780 -6.355 1.00 0.00 C ATOM 604 O GLU A 40 54.230 -4.679 -6.036 1.00 0.00 O ATOM 605 CB GLU A 40 56.971 -6.650 -5.707 1.00 0.00 C ATOM 606 CG GLU A 40 57.524 -8.024 -6.121 1.00 0.00 C ATOM 607 CD GLU A 40 56.386 -9.045 -6.265 1.00 0.00 C ATOM 608 OE1 GLU A 40 55.766 -9.069 -7.317 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.161 -9.794 -5.328 1.00 0.00 O ATOM 610 HA GLU A 40 55.153 -6.820 -6.894 1.00 0.00 H ATOM 611 HB2 GLU A 40 57.796 -5.945 -5.606 1.00 0.00 H ATOM 612 HB3 GLU A 40 56.454 -6.742 -4.752 1.00 0.00 H ATOM 613 HG2 GLU A 40 58.043 -7.929 -7.075 1.00 0.00 H ATOM 614 HG3 GLU A 40 58.224 -8.372 -5.361 1.00 0.00 H ATOM 615 H GLU A 40 57.821 -6.108 -8.005 1.00 0.00 H ATOM 616 N LEU A 41 56.193 -3.736 -6.379 1.00 0.00 N ATOM 617 CA LEU A 41 55.664 -2.387 -6.008 1.00 0.00 C ATOM 618 C LEU A 41 54.580 -1.965 -7.013 1.00 0.00 C ATOM 619 O LEU A 41 53.561 -1.411 -6.642 1.00 0.00 O ATOM 620 CB LEU A 41 56.885 -1.453 -6.070 1.00 0.00 C ATOM 621 CG LEU A 41 56.446 0.008 -6.258 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.393 0.388 -5.212 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.664 0.921 -6.104 1.00 0.00 C ATOM 624 HA LEU A 41 55.201 -2.366 -5.021 1.00 0.00 H ATOM 625 HB2 LEU A 41 57.449 -1.540 -5.142 1.00 0.00 H ATOM 626 HB3 LEU A 41 57.518 -1.747 -6.907 1.00 0.00 H ATOM 627 HG LEU A 41 56.013 0.124 -7.252 1.00 0.00 H ATOM 628 HD21 LEU A 41 58.091 0.791 -5.109 1.00 0.00 H ATOM 629 HD22 LEU A 41 58.408 0.662 -6.857 1.00 0.00 H ATOM 630 HD23 LEU A 41 57.358 1.959 -6.237 1.00 0.00 H ATOM 631 HD11 LEU A 41 54.524 -0.261 -5.321 1.00 0.00 H ATOM 632 HD12 LEU A 41 55.815 0.269 -4.214 1.00 0.00 H ATOM 633 HD13 LEU A 41 55.094 1.426 -5.360 1.00 0.00 H ATOM 634 H LEU A 41 57.189 -3.846 -6.656 1.00 0.00 H ATOM 635 N GLY A 42 54.790 -2.237 -8.279 1.00 0.00 N ATOM 636 CA GLY A 42 53.776 -1.865 -9.311 1.00 0.00 C ATOM 637 C GLY A 42 52.444 -2.573 -9.023 1.00 0.00 C ATOM 638 O GLY A 42 51.385 -2.044 -9.305 1.00 0.00 O ATOM 639 HA3 GLY A 42 54.137 -2.163 -10.295 1.00 0.00 H ATOM 640 HA2 GLY A 42 53.622 -0.786 -9.293 1.00 0.00 H ATOM 641 H GLY A 42 55.668 -2.715 -8.566 1.00 0.00 H ATOM 642 N LYS A 43 52.485 -3.757 -8.454 1.00 0.00 N ATOM 643 CA LYS A 43 51.214 -4.486 -8.134 1.00 0.00 C ATOM 644 C LYS A 43 50.352 -3.629 -7.195 1.00 0.00 C ATOM 645 O LYS A 43 49.174 -3.429 -7.430 1.00 0.00 O ATOM 646 CB LYS A 43 51.657 -5.780 -7.442 1.00 0.00 C ATOM 647 CG LYS A 43 50.720 -6.926 -7.843 1.00 0.00 C ATOM 648 CD LYS A 43 51.421 -7.840 -8.857 1.00 0.00 C ATOM 649 CE LYS A 43 52.583 -8.579 -8.179 1.00 0.00 C ATOM 650 NZ LYS A 43 53.757 -8.363 -9.073 1.00 0.00 N ATOM 651 HA LYS A 43 50.614 -4.694 -9.020 1.00 0.00 H ATOM 652 HB2 LYS A 43 52.676 -6.022 -7.743 1.00 0.00 H ATOM 653 HB3 LYS A 43 51.622 -5.644 -6.361 1.00 0.00 H ATOM 654 HG2 LYS A 43 50.455 -7.504 -6.958 1.00 0.00 H ATOM 655 HG3 LYS A 43 49.816 -6.514 -8.291 1.00 0.00 H ATOM 656 HD2 LYS A 43 50.706 -8.567 -9.243 1.00 0.00 H ATOM 657 HD3 LYS A 43 51.806 -7.238 -9.680 1.00 0.00 H ATOM 658 HE2 LYS A 43 52.360 -9.642 -8.090 1.00 0.00 H ATOM 659 HE3 LYS A 43 52.774 -8.165 -7.189 1.00 0.00 H ATOM 660 HZ1 LYS A 43 53.551 -8.755 -10.014 1.00 0.00 H ATOM 661 HZ2 LYS A 43 53.947 -7.344 -9.154 1.00 0.00 H ATOM 662 HZ3 LYS A 43 54.589 -8.841 -8.672 1.00 0.00 H ATOM 663 H LYS A 43 53.402 -4.190 -8.225 1.00 0.00 H ATOM 664 N VAL A 44 50.942 -3.101 -6.148 1.00 0.00 N ATOM 665 CA VAL A 44 50.171 -2.233 -5.201 1.00 0.00 C ATOM 666 C VAL A 44 49.855 -0.883 -5.869 1.00 0.00 C ATOM 667 O VAL A 44 48.847 -0.266 -5.582 1.00 0.00 O ATOM 668 CB VAL A 44 51.089 -2.041 -3.988 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.423 -1.106 -2.975 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.348 -3.397 -3.325 1.00 0.00 C ATOM 671 HA VAL A 44 49.218 -2.677 -4.912 1.00 0.00 H ATOM 672 HB VAL A 44 52.032 -1.605 -4.319 1.00 0.00 H ATOM 673 HG11 VAL A 44 50.236 -0.139 -3.443 1.00 0.00 H ATOM 674 HG12 VAL A 44 49.479 -1.541 -2.647 1.00 0.00 H ATOM 675 HG13 VAL A 44 51.081 -0.975 -2.116 1.00 0.00 H ATOM 676 HG21 VAL A 44 50.401 -3.828 -3.000 1.00 0.00 H ATOM 677 HG22 VAL A 44 51.826 -4.065 -4.042 1.00 0.00 H ATOM 678 HG23 VAL A 44 52.001 -3.260 -2.463 1.00 0.00 H ATOM 679 H VAL A 44 51.951 -3.286 -5.975 1.00 0.00 H ATOM 680 N MET A 45 50.702 -0.430 -6.768 1.00 0.00 N ATOM 681 CA MET A 45 50.439 0.871 -7.468 1.00 0.00 C ATOM 682 C MET A 45 49.097 0.802 -8.210 1.00 0.00 C ATOM 683 O MET A 45 48.340 1.754 -8.230 1.00 0.00 O ATOM 684 CB MET A 45 51.591 1.037 -8.467 1.00 0.00 C ATOM 685 CG MET A 45 52.851 1.501 -7.733 1.00 0.00 C ATOM 686 SD MET A 45 52.904 3.308 -7.716 1.00 0.00 S ATOM 687 CE MET A 45 54.234 3.477 -6.503 1.00 0.00 C ATOM 688 HA MET A 45 50.385 1.708 -6.772 1.00 0.00 H ATOM 689 HB2 MET A 45 51.787 0.082 -8.955 1.00 0.00 H ATOM 690 HB3 MET A 45 51.316 1.778 -9.218 1.00 0.00 H ATOM 691 HG2 MET A 45 53.733 1.116 -8.244 1.00 0.00 H ATOM 692 HG3 MET A 45 52.834 1.128 -6.709 1.00 0.00 H ATOM 693 HE1 MET A 45 53.931 3.011 -5.566 1.00 0.00 H ATOM 694 HE2 MET A 45 55.132 2.988 -6.880 1.00 0.00 H ATOM 695 HE3 MET A 45 54.438 4.534 -6.335 1.00 0.00 H ATOM 696 H MET A 45 51.558 -0.976 -6.995 1.00 0.00 H ATOM 697 N ARG A 46 48.798 -0.328 -8.808 1.00 0.00 N ATOM 698 CA ARG A 46 47.503 -0.482 -9.542 1.00 0.00 C ATOM 699 C ARG A 46 46.317 -0.377 -8.567 1.00 0.00 C ATOM 700 O ARG A 46 45.260 0.107 -8.924 1.00 0.00 O ATOM 701 CB ARG A 46 47.563 -1.878 -10.170 1.00 0.00 C ATOM 702 CG ARG A 46 46.491 -2.003 -11.258 1.00 0.00 C ATOM 703 CD ARG A 46 45.638 -3.249 -11.005 1.00 0.00 C ATOM 704 NE ARG A 46 44.630 -2.829 -9.986 1.00 0.00 N ATOM 705 CZ ARG A 46 44.265 -3.655 -9.046 1.00 0.00 C ATOM 706 NH1 ARG A 46 45.118 -4.022 -8.136 1.00 0.00 N ATOM 707 NH2 ARG A 46 43.046 -4.110 -9.019 1.00 0.00 N ATOM 708 HA ARG A 46 47.362 0.296 -10.292 1.00 0.00 H ATOM 709 HB2 ARG A 46 48.547 -2.035 -10.611 1.00 0.00 H ATOM 710 HB3 ARG A 46 47.387 -2.629 -9.400 1.00 0.00 H ATOM 711 HG2 ARG A 46 45.854 -1.119 -11.242 1.00 0.00 H ATOM 712 HG3 ARG A 46 46.972 -2.085 -12.233 1.00 0.00 H ATOM 713 HD2 ARG A 46 46.253 -4.063 -10.622 1.00 0.00 H ATOM 714 HD3 ARG A 46 45.145 -3.568 -11.923 1.00 0.00 H ATOM 715 HE ARG A 46 44.218 -1.875 -10.027 1.00 0.00 H ATOM 716 HH12 ARG A 46 44.827 -4.681 -7.386 1.00 0.00 H ATOM 717 HH11 ARG A 46 46.091 -3.657 -8.158 1.00 0.00 H ATOM 718 HH22 ARG A 46 42.753 -4.769 -8.270 1.00 0.00 H ATOM 719 HH21 ARG A 46 42.364 -3.815 -9.747 1.00 0.00 H ATOM 720 H ARG A 46 49.467 -1.123 -8.771 1.00 0.00 H ATOM 721 N MET A 47 46.489 -0.819 -7.338 1.00 0.00 N ATOM 722 CA MET A 47 45.372 -0.734 -6.337 1.00 0.00 C ATOM 723 C MET A 47 44.977 0.733 -6.110 1.00 0.00 C ATOM 724 O MET A 47 43.813 1.052 -5.956 1.00 0.00 O ATOM 725 CB MET A 47 45.924 -1.342 -5.040 1.00 0.00 C ATOM 726 CG MET A 47 46.175 -2.843 -5.227 1.00 0.00 C ATOM 727 SD MET A 47 44.706 -3.770 -4.719 1.00 0.00 S ATOM 728 CE MET A 47 45.293 -4.239 -3.072 1.00 0.00 C ATOM 729 HA MET A 47 44.482 -1.262 -6.680 1.00 0.00 H ATOM 730 HB2 MET A 47 46.861 -0.849 -4.781 1.00 0.00 H ATOM 731 HB3 MET A 47 45.202 -1.194 -4.236 1.00 0.00 H ATOM 732 HG2 MET A 47 47.026 -3.148 -4.618 1.00 0.00 H ATOM 733 HG3 MET A 47 46.389 -3.048 -6.276 1.00 0.00 H ATOM 734 HE1 MET A 47 46.205 -4.829 -3.167 1.00 0.00 H ATOM 735 HE2 MET A 47 45.499 -3.340 -2.491 1.00 0.00 H ATOM 736 HE3 MET A 47 44.527 -4.830 -2.569 1.00 0.00 H ATOM 737 H MET A 47 47.403 -1.229 -7.059 1.00 0.00 H ATOM 738 N LEU A 48 45.939 1.626 -6.094 1.00 0.00 N ATOM 739 CA LEU A 48 45.624 3.075 -5.888 1.00 0.00 C ATOM 740 C LEU A 48 44.864 3.630 -7.102 1.00 0.00 C ATOM 741 O LEU A 48 43.956 4.428 -6.965 1.00 0.00 O ATOM 742 CB LEU A 48 46.983 3.766 -5.747 1.00 0.00 C ATOM 743 CG LEU A 48 46.861 4.911 -4.744 1.00 0.00 C ATOM 744 CD1 LEU A 48 47.465 4.487 -3.404 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.607 6.136 -5.273 1.00 0.00 C ATOM 746 HA LEU A 48 44.993 3.237 -5.014 1.00 0.00 H ATOM 747 HB2 LEU A 48 47.723 3.048 -5.393 1.00 0.00 H ATOM 748 HB3 LEU A 48 47.295 4.160 -6.714 1.00 0.00 H ATOM 749 HG LEU A 48 45.808 5.158 -4.605 1.00 0.00 H ATOM 750 HD21 LEU A 48 48.659 5.887 -5.414 1.00 0.00 H ATOM 751 HD22 LEU A 48 47.174 6.440 -6.226 1.00 0.00 H ATOM 752 HD23 LEU A 48 47.518 6.952 -4.555 1.00 0.00 H ATOM 753 HD11 LEU A 48 46.931 3.615 -3.026 1.00 0.00 H ATOM 754 HD12 LEU A 48 48.517 4.238 -3.544 1.00 0.00 H ATOM 755 HD13 LEU A 48 47.376 5.307 -2.691 1.00 0.00 H ATOM 756 H LEU A 48 46.926 1.325 -6.225 1.00 0.00 H ATOM 757 N GLY A 49 45.228 3.201 -8.285 1.00 0.00 N ATOM 758 CA GLY A 49 44.530 3.686 -9.517 1.00 0.00 C ATOM 759 C GLY A 49 45.540 4.151 -10.582 1.00 0.00 C ATOM 760 O GLY A 49 45.161 4.757 -11.566 1.00 0.00 O ATOM 761 HA3 GLY A 49 43.881 4.521 -9.253 1.00 0.00 H ATOM 762 HA2 GLY A 49 43.928 2.875 -9.927 1.00 0.00 H ATOM 763 H GLY A 49 46.008 2.518 -8.369 1.00 0.00 H ATOM 764 N GLN A 50 46.813 3.876 -10.408 1.00 0.00 N ATOM 765 CA GLN A 50 47.819 4.312 -11.424 1.00 0.00 C ATOM 766 C GLN A 50 48.687 3.127 -11.864 1.00 0.00 C ATOM 767 O GLN A 50 49.109 2.319 -11.058 1.00 0.00 O ATOM 768 CB GLN A 50 48.670 5.370 -10.714 1.00 0.00 C ATOM 769 CG GLN A 50 47.864 6.667 -10.572 1.00 0.00 C ATOM 770 CD GLN A 50 47.608 6.951 -9.091 1.00 0.00 C ATOM 771 OE1 GLN A 50 46.596 6.554 -8.551 1.00 0.00 O ATOM 772 NE2 GLN A 50 48.489 7.624 -8.406 1.00 0.00 N ATOM 773 HA GLN A 50 47.347 4.705 -12.324 1.00 0.00 H ATOM 774 HB2 GLN A 50 48.951 5.007 -9.725 1.00 0.00 H ATOM 775 HB3 GLN A 50 49.570 5.564 -11.298 1.00 0.00 H ATOM 776 HG2 GLN A 50 48.425 7.493 -11.009 1.00 0.00 H ATOM 777 HG3 GLN A 50 46.912 6.562 -11.092 1.00 0.00 H ATOM 778 HE22 GLN A 50 49.357 7.965 -8.867 1.00 0.00 H ATOM 779 HE21 GLN A 50 48.325 7.820 -7.398 1.00 0.00 H ATOM 780 H GLN A 50 47.121 3.354 -9.563 1.00 0.00 H ATOM 781 N ASN A 51 48.957 3.026 -13.140 1.00 0.00 N ATOM 782 CA ASN A 51 49.802 1.903 -13.649 1.00 0.00 C ATOM 783 C ASN A 51 51.029 2.469 -14.386 1.00 0.00 C ATOM 784 O ASN A 51 51.042 2.546 -15.600 1.00 0.00 O ATOM 785 CB ASN A 51 48.890 1.126 -14.607 1.00 0.00 C ATOM 786 CG ASN A 51 48.327 -0.108 -13.897 1.00 0.00 C ATOM 787 OD1 ASN A 51 47.151 -0.171 -13.606 1.00 0.00 O ATOM 788 ND2 ASN A 51 49.121 -1.100 -13.605 1.00 0.00 N ATOM 789 HA ASN A 51 50.181 1.263 -12.852 1.00 0.00 H ATOM 790 HB2 ASN A 51 48.068 1.767 -14.926 1.00 0.00 H ATOM 791 HB3 ASN A 51 49.464 0.812 -15.479 1.00 0.00 H ATOM 792 HD22 ASN A 51 50.130 -1.049 -13.853 1.00 0.00 H ATOM 793 HD21 ASN A 51 48.746 -1.942 -13.124 1.00 0.00 H ATOM 794 H ASN A 51 48.581 3.732 -13.805 1.00 0.00 H ATOM 795 N PRO A 52 52.021 2.862 -13.615 1.00 0.00 N ATOM 796 CA PRO A 52 53.260 3.443 -14.196 1.00 0.00 C ATOM 797 C PRO A 52 54.174 2.344 -14.760 1.00 0.00 C ATOM 798 O PRO A 52 53.978 1.168 -14.512 1.00 0.00 O ATOM 799 CB PRO A 52 53.921 4.133 -13.004 1.00 0.00 C ATOM 800 CG PRO A 52 53.410 3.415 -11.793 1.00 0.00 C ATOM 801 CD PRO A 52 52.078 2.803 -12.148 1.00 0.00 C ATOM 802 HA PRO A 52 53.059 4.119 -15.027 1.00 0.00 H ATOM 803 HD3 PRO A 52 52.024 1.771 -11.802 1.00 0.00 H ATOM 804 HD2 PRO A 52 51.262 3.376 -11.708 1.00 0.00 H ATOM 805 HG3 PRO A 52 53.288 4.118 -10.969 1.00 0.00 H ATOM 806 HG2 PRO A 52 54.112 2.633 -11.501 1.00 0.00 H ATOM 807 HB2 PRO A 52 55.006 4.049 -13.068 1.00 0.00 H ATOM 808 HB3 PRO A 52 53.641 5.186 -12.969 1.00 0.00 H ATOM 809 N THR A 53 55.179 2.727 -15.508 1.00 0.00 N ATOM 810 CA THR A 53 56.124 1.718 -16.085 1.00 0.00 C ATOM 811 C THR A 53 57.089 1.227 -14.992 1.00 0.00 C ATOM 812 O THR A 53 57.145 1.802 -13.921 1.00 0.00 O ATOM 813 CB THR A 53 56.888 2.465 -17.189 1.00 0.00 C ATOM 814 OG1 THR A 53 57.477 3.642 -16.651 1.00 0.00 O ATOM 815 CG2 THR A 53 55.927 2.848 -18.318 1.00 0.00 C ATOM 816 HA THR A 53 55.609 0.841 -16.478 1.00 0.00 H ATOM 817 HB THR A 53 57.669 1.815 -17.584 1.00 0.00 H ATOM 818 HG1 THR A 53 57.968 4.120 -17.365 1.00 0.00 H ATOM 819 HG23 THR A 53 55.475 1.946 -18.731 1.00 0.00 H ATOM 820 HG21 THR A 53 55.147 3.499 -17.924 1.00 0.00 H ATOM 821 HG22 THR A 53 56.477 3.371 -19.100 1.00 0.00 H ATOM 822 H THR A 53 55.322 3.739 -15.703 1.00 0.00 H ATOM 823 N PRO A 54 57.824 0.178 -15.291 1.00 0.00 N ATOM 824 CA PRO A 54 58.791 -0.378 -14.302 1.00 0.00 C ATOM 825 C PRO A 54 59.911 0.631 -14.004 1.00 0.00 C ATOM 826 O PRO A 54 60.499 0.611 -12.939 1.00 0.00 O ATOM 827 CB PRO A 54 59.328 -1.631 -14.994 1.00 0.00 C ATOM 828 CG PRO A 54 59.118 -1.373 -16.450 1.00 0.00 C ATOM 829 CD PRO A 54 57.844 -0.579 -16.551 1.00 0.00 C ATOM 830 HA PRO A 54 58.339 -0.598 -13.335 1.00 0.00 H ATOM 831 HD3 PRO A 54 57.867 0.091 -17.410 1.00 0.00 H ATOM 832 HD2 PRO A 54 56.978 -1.236 -16.627 1.00 0.00 H ATOM 833 HG3 PRO A 54 59.022 -2.314 -16.992 1.00 0.00 H ATOM 834 HG2 PRO A 54 59.953 -0.804 -16.858 1.00 0.00 H ATOM 835 HB2 PRO A 54 60.387 -1.768 -14.776 1.00 0.00 H ATOM 836 HB3 PRO A 54 58.775 -2.515 -14.675 1.00 0.00 H ATOM 837 N GLU A 55 60.195 1.522 -14.927 1.00 0.00 N ATOM 838 CA GLU A 55 61.263 2.545 -14.687 1.00 0.00 C ATOM 839 C GLU A 55 60.850 3.474 -13.539 1.00 0.00 C ATOM 840 O GLU A 55 61.661 3.848 -12.714 1.00 0.00 O ATOM 841 CB GLU A 55 61.375 3.342 -15.991 1.00 0.00 C ATOM 842 CG GLU A 55 61.778 2.417 -17.146 1.00 0.00 C ATOM 843 CD GLU A 55 60.635 2.340 -18.160 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.519 3.250 -18.964 1.00 0.00 O ATOM 845 OE2 GLU A 55 59.893 1.374 -18.111 1.00 0.00 O ATOM 846 HA GLU A 55 62.211 2.083 -14.413 1.00 0.00 H ATOM 847 HB2 GLU A 55 60.412 3.801 -16.216 1.00 0.00 H ATOM 848 HB3 GLU A 55 62.129 4.121 -15.874 1.00 0.00 H ATOM 849 HG2 GLU A 55 62.670 2.811 -17.633 1.00 0.00 H ATOM 850 HG3 GLU A 55 61.987 1.420 -16.758 1.00 0.00 H ATOM 851 H GLU A 55 59.676 1.517 -15.828 1.00 0.00 H ATOM 852 N GLU A 56 59.588 3.840 -13.481 1.00 0.00 N ATOM 853 CA GLU A 56 59.104 4.738 -12.383 1.00 0.00 C ATOM 854 C GLU A 56 59.472 4.143 -11.019 1.00 0.00 C ATOM 855 O GLU A 56 59.981 4.828 -10.152 1.00 0.00 O ATOM 856 CB GLU A 56 57.579 4.799 -12.556 1.00 0.00 C ATOM 857 CG GLU A 56 56.948 5.568 -11.386 1.00 0.00 C ATOM 858 CD GLU A 56 56.579 6.985 -11.834 1.00 0.00 C ATOM 859 OE1 GLU A 56 57.452 7.835 -11.821 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.427 7.196 -12.176 1.00 0.00 O ATOM 861 HA GLU A 56 59.554 5.730 -12.430 1.00 0.00 H ATOM 862 HB2 GLU A 56 57.342 5.306 -13.491 1.00 0.00 H ATOM 863 HB3 GLU A 56 57.177 3.786 -12.581 1.00 0.00 H ATOM 864 HG2 GLU A 56 56.050 5.048 -11.054 1.00 0.00 H ATOM 865 HG3 GLU A 56 57.660 5.623 -10.563 1.00 0.00 H ATOM 866 H GLU A 56 58.920 3.503 -14.204 1.00 0.00 H ATOM 867 N LEU A 57 59.230 2.870 -10.827 1.00 0.00 N ATOM 868 CA LEU A 57 59.578 2.237 -9.521 1.00 0.00 C ATOM 869 C LEU A 57 61.087 1.960 -9.450 1.00 0.00 C ATOM 870 O LEU A 57 61.664 1.951 -8.379 1.00 0.00 O ATOM 871 CB LEU A 57 58.793 0.922 -9.451 1.00 0.00 C ATOM 872 CG LEU A 57 57.268 1.160 -9.529 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.894 2.528 -8.949 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.803 1.089 -10.987 1.00 0.00 C ATOM 875 HA LEU A 57 59.325 2.891 -8.687 1.00 0.00 H ATOM 876 HB2 LEU A 57 59.094 0.286 -10.283 1.00 0.00 H ATOM 877 HB3 LEU A 57 59.025 0.422 -8.511 1.00 0.00 H ATOM 878 HG LEU A 57 56.776 0.384 -8.943 1.00 0.00 H ATOM 879 HD21 LEU A 57 57.317 1.854 -11.569 1.00 0.00 H ATOM 880 HD22 LEU A 57 57.035 0.105 -11.394 1.00 0.00 H ATOM 881 HD23 LEU A 57 55.727 1.258 -11.033 1.00 0.00 H ATOM 882 HD11 LEU A 57 57.202 2.575 -7.905 1.00 0.00 H ATOM 883 HD12 LEU A 57 57.399 3.311 -9.514 1.00 0.00 H ATOM 884 HD13 LEU A 57 55.815 2.668 -9.017 1.00 0.00 H ATOM 885 H LEU A 57 58.797 2.302 -11.583 1.00 0.00 H ATOM 886 N GLN A 58 61.739 1.749 -10.576 1.00 0.00 N ATOM 887 CA GLN A 58 63.214 1.497 -10.546 1.00 0.00 C ATOM 888 C GLN A 58 63.918 2.709 -9.915 1.00 0.00 C ATOM 889 O GLN A 58 64.889 2.569 -9.200 1.00 0.00 O ATOM 890 CB GLN A 58 63.622 1.261 -12.017 1.00 0.00 C ATOM 891 CG GLN A 58 64.405 2.453 -12.586 1.00 0.00 C ATOM 892 CD GLN A 58 65.905 2.200 -12.423 1.00 0.00 C ATOM 893 OE1 GLN A 58 66.445 1.283 -13.006 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.604 2.978 -11.649 1.00 0.00 N ATOM 895 HA GLN A 58 63.497 0.634 -9.943 1.00 0.00 H ATOM 896 HB2 GLN A 58 64.246 0.369 -12.072 1.00 0.00 H ATOM 897 HB3 GLN A 58 62.722 1.111 -12.614 1.00 0.00 H ATOM 898 HG2 GLN A 58 64.169 2.572 -13.643 1.00 0.00 H ATOM 899 HG3 GLN A 58 64.128 3.360 -12.049 1.00 0.00 H ATOM 900 HE22 GLN A 58 66.143 3.764 -11.149 1.00 0.00 H ATOM 901 HE21 GLN A 58 67.624 2.813 -11.531 1.00 0.00 H ATOM 902 H GLN A 58 61.230 1.758 -11.483 1.00 0.00 H ATOM 903 N GLU A 59 63.402 3.895 -10.142 1.00 0.00 N ATOM 904 CA GLU A 59 64.008 5.110 -9.518 1.00 0.00 C ATOM 905 C GLU A 59 63.738 5.068 -8.007 1.00 0.00 C ATOM 906 O GLU A 59 64.576 5.432 -7.203 1.00 0.00 O ATOM 907 CB GLU A 59 63.294 6.297 -10.174 1.00 0.00 C ATOM 908 CG GLU A 59 64.286 7.082 -11.041 1.00 0.00 C ATOM 909 CD GLU A 59 64.801 6.192 -12.177 1.00 0.00 C ATOM 910 OE1 GLU A 59 64.060 5.980 -13.123 1.00 0.00 O ATOM 911 OE2 GLU A 59 65.929 5.739 -12.079 1.00 0.00 O ATOM 912 HA GLU A 59 65.087 5.178 -9.661 1.00 0.00 H ATOM 913 HB2 GLU A 59 62.479 5.930 -10.798 1.00 0.00 H ATOM 914 HB3 GLU A 59 62.892 6.951 -9.400 1.00 0.00 H ATOM 915 HG2 GLU A 59 63.787 7.955 -11.463 1.00 0.00 H ATOM 916 HG3 GLU A 59 65.126 7.407 -10.427 1.00 0.00 H ATOM 917 H GLU A 59 62.569 3.989 -10.758 1.00 0.00 H ATOM 918 N MET A 60 62.572 4.592 -7.626 1.00 0.00 N ATOM 919 CA MET A 60 62.224 4.480 -6.175 1.00 0.00 C ATOM 920 C MET A 60 63.181 3.498 -5.484 1.00 0.00 C ATOM 921 O MET A 60 63.682 3.763 -4.409 1.00 0.00 O ATOM 922 CB MET A 60 60.786 3.936 -6.145 1.00 0.00 C ATOM 923 CG MET A 60 59.811 5.083 -5.875 1.00 0.00 C ATOM 924 SD MET A 60 58.125 4.547 -6.260 1.00 0.00 S ATOM 925 CE MET A 60 57.940 5.462 -7.810 1.00 0.00 C ATOM 926 HA MET A 60 62.306 5.435 -5.655 1.00 0.00 H ATOM 927 HB2 MET A 60 60.551 3.478 -7.106 1.00 0.00 H ATOM 928 HB3 MET A 60 60.696 3.189 -5.356 1.00 0.00 H ATOM 929 HG2 MET A 60 60.072 5.937 -6.500 1.00 0.00 H ATOM 930 HG3 MET A 60 59.870 5.371 -4.825 1.00 0.00 H ATOM 931 HE1 MET A 60 58.055 6.529 -7.617 1.00 0.00 H ATOM 932 HE2 MET A 60 58.703 5.135 -8.517 1.00 0.00 H ATOM 933 HE3 MET A 60 56.951 5.271 -8.227 1.00 0.00 H ATOM 934 H MET A 60 61.883 4.289 -8.343 1.00 0.00 H ATOM 935 N ILE A 61 63.438 2.369 -6.104 1.00 0.00 N ATOM 936 CA ILE A 61 64.365 1.361 -5.496 1.00 0.00 C ATOM 937 C ILE A 61 65.803 1.911 -5.449 1.00 0.00 C ATOM 938 O ILE A 61 66.548 1.622 -4.536 1.00 0.00 O ATOM 939 CB ILE A 61 64.251 0.116 -6.402 1.00 0.00 C ATOM 940 CG1 ILE A 61 64.254 -1.148 -5.536 1.00 0.00 C ATOM 941 CG2 ILE A 61 65.419 0.045 -7.394 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.081 -2.048 -5.939 1.00 0.00 C ATOM 943 HA ILE A 61 64.107 1.121 -4.465 1.00 0.00 H ATOM 944 HB ILE A 61 63.320 0.188 -6.964 1.00 0.00 H ATOM 945 HG12 ILE A 61 65.191 -1.686 -5.681 1.00 0.00 H ATOM 946 HG13 ILE A 61 64.155 -0.870 -4.487 1.00 0.00 H ATOM 947 HD11 ILE A 61 62.145 -1.510 -5.793 1.00 0.00 H ATOM 948 HD12 ILE A 61 63.182 -2.326 -6.988 1.00 0.00 H ATOM 949 HD13 ILE A 61 63.085 -2.946 -5.322 1.00 0.00 H ATOM 950 HG21 ILE A 61 65.415 0.936 -8.023 1.00 0.00 H ATOM 951 HG22 ILE A 61 66.358 -0.009 -6.844 1.00 0.00 H ATOM 952 HG23 ILE A 61 65.311 -0.842 -8.018 1.00 0.00 H ATOM 953 H ILE A 61 62.995 2.173 -7.024 1.00 0.00 H ATOM 954 N ASP A 62 66.190 2.706 -6.418 1.00 0.00 N ATOM 955 CA ASP A 62 67.574 3.279 -6.422 1.00 0.00 C ATOM 956 C ASP A 62 67.722 4.321 -5.303 1.00 0.00 C ATOM 957 O ASP A 62 68.765 4.444 -4.691 1.00 0.00 O ATOM 958 CB ASP A 62 67.727 3.942 -7.798 1.00 0.00 C ATOM 959 CG ASP A 62 68.290 2.935 -8.808 1.00 0.00 C ATOM 960 OD1 ASP A 62 67.799 1.818 -8.847 1.00 0.00 O ATOM 961 OD2 ASP A 62 69.200 3.303 -9.531 1.00 0.00 O ATOM 962 HA ASP A 62 68.335 2.518 -6.249 1.00 0.00 H ATOM 963 HB2 ASP A 62 66.753 4.291 -8.141 1.00 0.00 H ATOM 964 HB3 ASP A 62 68.407 4.790 -7.716 1.00 0.00 H ATOM 965 H ASP A 62 65.532 2.940 -7.188 1.00 0.00 H ATOM 966 N GLU A 63 66.681 5.072 -5.035 1.00 0.00 N ATOM 967 CA GLU A 63 66.748 6.112 -3.960 1.00 0.00 C ATOM 968 C GLU A 63 66.922 5.468 -2.574 1.00 0.00 C ATOM 969 O GLU A 63 67.595 6.009 -1.716 1.00 0.00 O ATOM 970 CB GLU A 63 65.407 6.846 -4.041 1.00 0.00 C ATOM 971 CG GLU A 63 65.489 8.160 -3.256 1.00 0.00 C ATOM 972 CD GLU A 63 64.436 8.163 -2.146 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.731 7.664 -1.073 1.00 0.00 O ATOM 974 OE2 GLU A 63 63.352 8.670 -2.387 1.00 0.00 O ATOM 975 HA GLU A 63 67.599 6.780 -4.097 1.00 0.00 H ATOM 976 HB2 GLU A 63 65.173 7.061 -5.084 1.00 0.00 H ATOM 977 HB3 GLU A 63 64.624 6.218 -3.616 1.00 0.00 H ATOM 978 HG2 GLU A 63 66.481 8.258 -2.815 1.00 0.00 H ATOM 979 HG3 GLU A 63 65.308 8.997 -3.930 1.00 0.00 H ATOM 980 H GLU A 63 65.801 4.944 -5.574 1.00 0.00 H ATOM 981 N VAL A 64 66.316 4.328 -2.344 1.00 0.00 N ATOM 982 CA VAL A 64 66.445 3.669 -1.001 1.00 0.00 C ATOM 983 C VAL A 64 67.441 2.494 -1.029 1.00 0.00 C ATOM 984 O VAL A 64 67.872 2.031 0.011 1.00 0.00 O ATOM 985 CB VAL A 64 65.036 3.168 -0.641 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.066 4.352 -0.578 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.545 2.164 -1.692 1.00 0.00 C ATOM 988 HA VAL A 64 66.831 4.374 -0.265 1.00 0.00 H ATOM 989 HB VAL A 64 65.077 2.676 0.331 1.00 0.00 H ATOM 990 HG11 VAL A 64 64.404 5.057 0.182 1.00 0.00 H ATOM 991 HG12 VAL A 64 64.036 4.848 -1.548 1.00 0.00 H ATOM 992 HG13 VAL A 64 63.070 3.991 -0.323 1.00 0.00 H ATOM 993 HG21 VAL A 64 64.513 2.648 -2.668 1.00 0.00 H ATOM 994 HG22 VAL A 64 65.227 1.315 -1.728 1.00 0.00 H ATOM 995 HG23 VAL A 64 63.547 1.818 -1.424 1.00 0.00 H ATOM 996 H VAL A 64 65.747 3.881 -3.091 1.00 0.00 H ATOM 997 N ASP A 65 67.808 2.000 -2.189 1.00 0.00 N ATOM 998 CA ASP A 65 68.772 0.854 -2.231 1.00 0.00 C ATOM 999 C ASP A 65 69.908 1.108 -3.230 1.00 0.00 C ATOM 1000 O ASP A 65 69.704 1.627 -4.310 1.00 0.00 O ATOM 1001 CB ASP A 65 67.951 -0.367 -2.664 1.00 0.00 C ATOM 1002 CG ASP A 65 68.862 -1.600 -2.723 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.658 -1.768 -1.812 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.750 -2.360 -3.673 1.00 0.00 O ATOM 1005 HA ASP A 65 69.243 0.710 -1.258 1.00 0.00 H ATOM 1006 HB2 ASP A 65 67.150 -0.540 -1.945 1.00 0.00 H ATOM 1007 HB3 ASP A 65 67.521 -0.185 -3.649 1.00 0.00 H ATOM 1008 H ASP A 65 67.432 2.401 -3.072 1.00 0.00 H ATOM 1009 N GLU A 66 71.101 0.716 -2.865 1.00 0.00 N ATOM 1010 CA GLU A 66 72.280 0.890 -3.762 1.00 0.00 C ATOM 1011 C GLU A 66 73.356 -0.148 -3.400 1.00 0.00 C ATOM 1012 O GLU A 66 74.538 0.142 -3.381 1.00 0.00 O ATOM 1013 CB GLU A 66 72.775 2.316 -3.492 1.00 0.00 C ATOM 1014 CG GLU A 66 73.390 2.897 -4.769 1.00 0.00 C ATOM 1015 CD GLU A 66 72.283 3.257 -5.766 1.00 0.00 C ATOM 1016 OE1 GLU A 66 71.789 4.370 -5.695 1.00 0.00 O ATOM 1017 OE2 GLU A 66 71.955 2.415 -6.585 1.00 0.00 O ATOM 1018 HA GLU A 66 72.039 0.746 -4.815 1.00 0.00 H ATOM 1019 HB2 GLU A 66 71.937 2.938 -3.177 1.00 0.00 H ATOM 1020 HB3 GLU A 66 73.527 2.296 -2.703 1.00 0.00 H ATOM 1021 HG2 GLU A 66 73.959 3.793 -4.521 1.00 0.00 H ATOM 1022 HG3 GLU A 66 74.055 2.159 -5.218 1.00 0.00 H ATOM 1023 H GLU A 66 71.230 0.275 -1.932 1.00 0.00 H ATOM 1024 N ASP A 67 72.943 -1.359 -3.104 1.00 0.00 N ATOM 1025 CA ASP A 67 73.918 -2.433 -2.729 1.00 0.00 C ATOM 1026 C ASP A 67 74.228 -3.357 -3.922 1.00 0.00 C ATOM 1027 O ASP A 67 74.935 -4.338 -3.782 1.00 0.00 O ATOM 1028 CB ASP A 67 73.227 -3.212 -1.588 1.00 0.00 C ATOM 1029 CG ASP A 67 72.048 -4.060 -2.109 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.384 -3.641 -3.044 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.815 -5.116 -1.548 1.00 0.00 O ATOM 1032 HA ASP A 67 74.878 -2.018 -2.423 1.00 0.00 H ATOM 1033 HB2 ASP A 67 73.956 -3.872 -1.118 1.00 0.00 H ATOM 1034 HB3 ASP A 67 72.853 -2.502 -0.851 1.00 0.00 H ATOM 1035 H ASP A 67 71.926 -1.575 -3.130 1.00 0.00 H ATOM 1036 N GLY A 68 73.706 -3.059 -5.089 1.00 0.00 N ATOM 1037 CA GLY A 68 73.972 -3.927 -6.274 1.00 0.00 C ATOM 1038 C GLY A 68 72.721 -4.751 -6.597 1.00 0.00 C ATOM 1039 O GLY A 68 72.450 -5.053 -7.742 1.00 0.00 O ATOM 1040 HA3 GLY A 68 74.802 -4.598 -6.054 1.00 0.00 H ATOM 1041 HA2 GLY A 68 74.228 -3.304 -7.131 1.00 0.00 H ATOM 1042 H GLY A 68 73.105 -2.216 -5.188 1.00 0.00 H ATOM 1043 N SER A 69 71.955 -5.113 -5.595 1.00 0.00 N ATOM 1044 CA SER A 69 70.718 -5.915 -5.846 1.00 0.00 C ATOM 1045 C SER A 69 69.663 -5.062 -6.574 1.00 0.00 C ATOM 1046 O SER A 69 69.017 -5.528 -7.493 1.00 0.00 O ATOM 1047 CB SER A 69 70.234 -6.362 -4.454 1.00 0.00 C ATOM 1048 OG SER A 69 69.083 -5.620 -4.062 1.00 0.00 O ATOM 1049 HA SER A 69 70.903 -6.775 -6.490 1.00 0.00 H ATOM 1050 HB2 SER A 69 71.030 -6.199 -3.728 1.00 0.00 H ATOM 1051 HB3 SER A 69 69.984 -7.422 -4.485 1.00 0.00 H ATOM 1052 HG SER A 69 68.357 -5.769 -4.718 1.00 0.00 H ATOM 1053 H SER A 69 72.209 -4.841 -4.624 1.00 0.00 H ATOM 1054 N GLY A 70 69.476 -3.823 -6.175 1.00 0.00 N ATOM 1055 CA GLY A 70 68.456 -2.965 -6.855 1.00 0.00 C ATOM 1056 C GLY A 70 67.055 -3.432 -6.453 1.00 0.00 C ATOM 1057 O GLY A 70 66.107 -3.304 -7.205 1.00 0.00 O ATOM 1058 HA3 GLY A 70 68.572 -3.048 -7.936 1.00 0.00 H ATOM 1059 HA2 GLY A 70 68.594 -1.926 -6.555 1.00 0.00 H ATOM 1060 H GLY A 70 70.037 -3.440 -5.387 1.00 0.00 H ATOM 1061 N THR A 71 66.923 -3.971 -5.269 1.00 0.00 N ATOM 1062 CA THR A 71 65.595 -4.454 -4.791 1.00 0.00 C ATOM 1063 C THR A 71 65.400 -4.016 -3.340 1.00 0.00 C ATOM 1064 O THR A 71 66.340 -4.003 -2.566 1.00 0.00 O ATOM 1065 CB THR A 71 65.642 -5.989 -4.882 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.621 -6.401 -5.833 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.272 -6.517 -5.305 1.00 0.00 C ATOM 1068 HA THR A 71 64.772 -4.052 -5.382 1.00 0.00 H ATOM 1069 HB THR A 71 65.908 -6.390 -3.904 1.00 0.00 H ATOM 1070 HG1 THR A 71 67.510 -6.067 -5.555 1.00 0.00 H ATOM 1071 HG23 THR A 71 63.523 -6.203 -4.579 1.00 0.00 H ATOM 1072 HG21 THR A 71 64.018 -6.118 -6.287 1.00 0.00 H ATOM 1073 HG22 THR A 71 64.302 -7.606 -5.350 1.00 0.00 H ATOM 1074 H THR A 71 67.755 -4.064 -4.652 1.00 0.00 H ATOM 1075 N VAL A 72 64.197 -3.657 -2.966 1.00 0.00 N ATOM 1076 CA VAL A 72 63.950 -3.210 -1.559 1.00 0.00 C ATOM 1077 C VAL A 72 63.933 -4.419 -0.613 1.00 0.00 C ATOM 1078 O VAL A 72 63.028 -5.235 -0.642 1.00 0.00 O ATOM 1079 CB VAL A 72 62.581 -2.508 -1.594 1.00 0.00 C ATOM 1080 CG1 VAL A 72 61.951 -2.504 -0.198 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.765 -1.063 -2.061 1.00 0.00 C ATOM 1082 HA VAL A 72 64.730 -2.542 -1.192 1.00 0.00 H ATOM 1083 HB VAL A 72 61.927 -3.045 -2.281 1.00 0.00 H ATOM 1084 HG11 VAL A 72 61.817 -3.531 0.142 1.00 0.00 H ATOM 1085 HG12 VAL A 72 62.606 -1.974 0.493 1.00 0.00 H ATOM 1086 HG13 VAL A 72 60.983 -2.004 -0.239 1.00 0.00 H ATOM 1087 HG21 VAL A 72 63.426 -0.540 -1.370 1.00 0.00 H ATOM 1088 HG22 VAL A 72 63.204 -1.058 -3.059 1.00 0.00 H ATOM 1089 HG23 VAL A 72 61.796 -0.564 -2.086 1.00 0.00 H ATOM 1090 H VAL A 72 63.412 -3.683 -3.648 1.00 0.00 H ATOM 1091 N ASP A 73 64.930 -4.531 0.226 1.00 0.00 N ATOM 1092 CA ASP A 73 64.988 -5.676 1.187 1.00 0.00 C ATOM 1093 C ASP A 73 64.128 -5.353 2.420 1.00 0.00 C ATOM 1094 O ASP A 73 63.456 -4.338 2.465 1.00 0.00 O ATOM 1095 CB ASP A 73 66.475 -5.811 1.574 1.00 0.00 C ATOM 1096 CG ASP A 73 67.359 -6.031 0.330 1.00 0.00 C ATOM 1097 OD1 ASP A 73 66.831 -6.333 -0.729 1.00 0.00 O ATOM 1098 OD2 ASP A 73 68.564 -5.890 0.462 1.00 0.00 O ATOM 1099 HA ASP A 73 64.606 -6.603 0.759 1.00 0.00 H ATOM 1100 HB2 ASP A 73 66.795 -4.900 2.081 1.00 0.00 H ATOM 1101 HB3 ASP A 73 66.591 -6.660 2.248 1.00 0.00 H ATOM 1102 H ASP A 73 65.688 -3.819 0.225 1.00 0.00 H ATOM 1103 N PHE A 74 64.145 -6.199 3.422 1.00 0.00 N ATOM 1104 CA PHE A 74 63.328 -5.924 4.649 1.00 0.00 C ATOM 1105 C PHE A 74 63.782 -4.606 5.291 1.00 0.00 C ATOM 1106 O PHE A 74 62.975 -3.758 5.624 1.00 0.00 O ATOM 1107 CB PHE A 74 63.589 -7.106 5.591 1.00 0.00 C ATOM 1108 CG PHE A 74 63.066 -6.778 6.973 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.687 -6.782 7.219 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.959 -6.464 8.006 1.00 0.00 C ATOM 1111 CE1 PHE A 74 61.201 -6.474 8.496 1.00 0.00 C ATOM 1112 CE2 PHE A 74 63.472 -6.157 9.282 1.00 0.00 C ATOM 1113 CZ PHE A 74 62.094 -6.161 9.527 1.00 0.00 C ATOM 1114 HA PHE A 74 62.266 -5.824 4.424 1.00 0.00 H ATOM 1115 HB2 PHE A 74 63.081 -7.992 5.211 1.00 0.00 H ATOM 1116 HB3 PHE A 74 64.661 -7.298 5.644 1.00 0.00 H ATOM 1117 HD2 PHE A 74 65.032 -6.459 7.816 1.00 0.00 H ATOM 1118 HE2 PHE A 74 64.167 -5.914 10.086 1.00 0.00 H ATOM 1119 HZ PHE A 74 61.716 -5.920 10.521 1.00 0.00 H ATOM 1120 HE1 PHE A 74 60.128 -6.478 8.687 1.00 0.00 H ATOM 1121 HD1 PHE A 74 60.991 -7.025 6.416 1.00 0.00 H ATOM 1122 H PHE A 74 64.725 -7.060 3.366 1.00 0.00 H ATOM 1123 N ASP A 75 65.070 -4.432 5.456 1.00 0.00 N ATOM 1124 CA ASP A 75 65.593 -3.172 6.064 1.00 0.00 C ATOM 1125 C ASP A 75 65.226 -1.969 5.185 1.00 0.00 C ATOM 1126 O ASP A 75 64.658 -1.004 5.655 1.00 0.00 O ATOM 1127 CB ASP A 75 67.111 -3.365 6.116 1.00 0.00 C ATOM 1128 CG ASP A 75 67.761 -2.141 6.762 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.813 -2.096 7.980 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.194 -1.268 6.028 1.00 0.00 O ATOM 1131 HA ASP A 75 65.173 -2.978 7.051 1.00 0.00 H ATOM 1132 HB2 ASP A 75 67.344 -4.253 6.704 1.00 0.00 H ATOM 1133 HB3 ASP A 75 67.496 -3.489 5.104 1.00 0.00 H ATOM 1134 H ASP A 75 65.733 -5.177 5.161 1.00 0.00 H ATOM 1135 N GLU A 76 65.540 -2.028 3.912 1.00 0.00 N ATOM 1136 CA GLU A 76 65.205 -0.893 2.991 1.00 0.00 C ATOM 1137 C GLU A 76 63.695 -0.615 3.007 1.00 0.00 C ATOM 1138 O GLU A 76 63.269 0.524 2.977 1.00 0.00 O ATOM 1139 CB GLU A 76 65.656 -1.358 1.605 1.00 0.00 C ATOM 1140 CG GLU A 76 67.188 -1.289 1.513 1.00 0.00 C ATOM 1141 CD GLU A 76 67.713 -2.381 0.573 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.056 -2.661 -0.413 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.772 -2.917 0.849 1.00 0.00 O ATOM 1144 HA GLU A 76 65.695 0.034 3.288 1.00 0.00 H ATOM 1145 HB2 GLU A 76 65.328 -2.385 1.442 1.00 0.00 H ATOM 1146 HB3 GLU A 76 65.217 -0.712 0.844 1.00 0.00 H ATOM 1147 HG2 GLU A 76 67.482 -0.312 1.130 1.00 0.00 H ATOM 1148 HG3 GLU A 76 67.615 -1.432 2.506 1.00 0.00 H ATOM 1149 H GLU A 76 66.025 -2.869 3.539 1.00 0.00 H ATOM 1150 N PHE A 77 62.885 -1.646 3.072 1.00 0.00 N ATOM 1151 CA PHE A 77 61.404 -1.439 3.113 1.00 0.00 C ATOM 1152 C PHE A 77 61.025 -0.681 4.392 1.00 0.00 C ATOM 1153 O PHE A 77 60.299 0.295 4.352 1.00 0.00 O ATOM 1154 CB PHE A 77 60.805 -2.849 3.116 1.00 0.00 C ATOM 1155 CG PHE A 77 59.298 -2.766 3.164 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.591 -2.170 2.111 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.606 -3.290 4.262 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.194 -2.099 2.158 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.209 -3.218 4.308 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.503 -2.623 3.257 1.00 0.00 C ATOM 1161 HA PHE A 77 61.038 -0.851 2.272 1.00 0.00 H ATOM 1162 HB2 PHE A 77 61.110 -3.374 2.211 1.00 0.00 H ATOM 1163 HB3 PHE A 77 61.165 -3.393 3.989 1.00 0.00 H ATOM 1164 HD2 PHE A 77 59.155 -3.754 5.081 1.00 0.00 H ATOM 1165 HE2 PHE A 77 56.671 -3.626 5.163 1.00 0.00 H ATOM 1166 HZ PHE A 77 55.415 -2.567 3.294 1.00 0.00 H ATOM 1167 HE1 PHE A 77 56.644 -1.636 1.339 1.00 0.00 H ATOM 1168 HD1 PHE A 77 59.129 -1.762 1.255 1.00 0.00 H ATOM 1169 H PHE A 77 63.274 -2.610 3.095 1.00 0.00 H ATOM 1170 N LEU A 78 61.530 -1.113 5.524 1.00 0.00 N ATOM 1171 CA LEU A 78 61.218 -0.409 6.807 1.00 0.00 C ATOM 1172 C LEU A 78 61.939 0.958 6.841 1.00 0.00 C ATOM 1173 O LEU A 78 61.438 1.913 7.406 1.00 0.00 O ATOM 1174 CB LEU A 78 61.687 -1.375 7.921 1.00 0.00 C ATOM 1175 CG LEU A 78 62.903 -0.830 8.676 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.425 0.017 9.854 1.00 0.00 C ATOM 1177 CD2 LEU A 78 63.732 -2.002 9.207 1.00 0.00 C ATOM 1178 HA LEU A 78 60.159 -0.181 6.932 1.00 0.00 H ATOM 1179 HB2 LEU A 78 60.870 -1.522 8.627 1.00 0.00 H ATOM 1180 HB3 LEU A 78 61.952 -2.331 7.470 1.00 0.00 H ATOM 1181 HG LEU A 78 63.510 -0.221 8.005 1.00 0.00 H ATOM 1182 HD21 LEU A 78 63.121 -2.602 9.881 1.00 0.00 H ATOM 1183 HD22 LEU A 78 64.065 -2.618 8.372 1.00 0.00 H ATOM 1184 HD23 LEU A 78 64.599 -1.618 9.745 1.00 0.00 H ATOM 1185 HD11 LEU A 78 61.822 0.846 9.483 1.00 0.00 H ATOM 1186 HD12 LEU A 78 61.824 -0.599 10.523 1.00 0.00 H ATOM 1187 HD13 LEU A 78 63.288 0.407 10.394 1.00 0.00 H ATOM 1188 H LEU A 78 62.150 -1.948 5.529 1.00 0.00 H ATOM 1189 N VAL A 79 63.090 1.065 6.210 1.00 0.00 N ATOM 1190 CA VAL A 79 63.818 2.377 6.175 1.00 0.00 C ATOM 1191 C VAL A 79 63.020 3.372 5.319 1.00 0.00 C ATOM 1192 O VAL A 79 62.902 4.536 5.648 1.00 0.00 O ATOM 1193 CB VAL A 79 65.184 2.073 5.533 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.788 3.355 4.951 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.137 1.512 6.592 1.00 0.00 C ATOM 1196 HA VAL A 79 63.940 2.818 7.164 1.00 0.00 H ATOM 1197 HB VAL A 79 65.042 1.343 4.736 1.00 0.00 H ATOM 1198 HG11 VAL A 79 65.117 3.759 4.193 1.00 0.00 H ATOM 1199 HG12 VAL A 79 65.921 4.087 5.748 1.00 0.00 H ATOM 1200 HG13 VAL A 79 66.754 3.128 4.500 1.00 0.00 H ATOM 1201 HG21 VAL A 79 66.266 2.245 7.388 1.00 0.00 H ATOM 1202 HG22 VAL A 79 65.719 0.594 7.006 1.00 0.00 H ATOM 1203 HG23 VAL A 79 67.102 1.298 6.133 1.00 0.00 H ATOM 1204 H VAL A 79 63.497 0.235 5.733 1.00 0.00 H ATOM 1205 N MET A 80 62.460 2.907 4.229 1.00 0.00 N ATOM 1206 CA MET A 80 61.647 3.800 3.347 1.00 0.00 C ATOM 1207 C MET A 80 60.349 4.207 4.066 1.00 0.00 C ATOM 1208 O MET A 80 59.789 5.255 3.806 1.00 0.00 O ATOM 1209 CB MET A 80 61.338 2.948 2.111 1.00 0.00 C ATOM 1210 CG MET A 80 60.679 3.810 1.032 1.00 0.00 C ATOM 1211 SD MET A 80 60.970 3.068 -0.596 1.00 0.00 S ATOM 1212 CE MET A 80 60.220 1.455 -0.260 1.00 0.00 C ATOM 1213 HA MET A 80 62.167 4.722 3.087 1.00 0.00 H ATOM 1214 HB2 MET A 80 62.265 2.528 1.721 1.00 0.00 H ATOM 1215 HB3 MET A 80 60.663 2.139 2.390 1.00 0.00 H ATOM 1216 HG2 MET A 80 61.106 4.812 1.056 1.00 0.00 H ATOM 1217 HG3 MET A 80 59.607 3.869 1.218 1.00 0.00 H ATOM 1218 HE1 MET A 80 60.746 0.976 0.566 1.00 0.00 H ATOM 1219 HE2 MET A 80 59.171 1.591 0.005 1.00 0.00 H ATOM 1220 HE3 MET A 80 60.293 0.829 -1.150 1.00 0.00 H ATOM 1221 H MET A 80 62.582 1.906 3.975 1.00 0.00 H ATOM 1222 N MET A 81 59.871 3.379 4.968 1.00 0.00 N ATOM 1223 CA MET A 81 58.614 3.704 5.711 1.00 0.00 C ATOM 1224 C MET A 81 58.823 4.911 6.632 1.00 0.00 C ATOM 1225 O MET A 81 58.099 5.885 6.553 1.00 0.00 O ATOM 1226 CB MET A 81 58.310 2.454 6.539 1.00 0.00 C ATOM 1227 CG MET A 81 57.677 1.394 5.642 1.00 0.00 C ATOM 1228 SD MET A 81 55.909 1.733 5.476 1.00 0.00 S ATOM 1229 CE MET A 81 55.651 0.748 3.987 1.00 0.00 C ATOM 1230 HA MET A 81 57.799 3.962 5.035 1.00 0.00 H ATOM 1231 HB2 MET A 81 59.235 2.065 6.965 1.00 0.00 H ATOM 1232 HB3 MET A 81 57.620 2.709 7.344 1.00 0.00 H ATOM 1233 HG2 MET A 81 57.819 0.409 6.086 1.00 0.00 H ATOM 1234 HG3 MET A 81 58.147 1.420 4.659 1.00 0.00 H ATOM 1235 HE1 MET A 81 56.280 1.133 3.185 1.00 0.00 H ATOM 1236 HE2 MET A 81 55.913 -0.290 4.190 1.00 0.00 H ATOM 1237 HE3 MET A 81 54.604 0.808 3.690 1.00 0.00 H ATOM 1238 H MET A 81 60.372 2.489 5.167 1.00 0.00 H ATOM 1239 N VAL A 82 59.804 4.855 7.506 1.00 0.00 N ATOM 1240 CA VAL A 82 60.051 6.009 8.436 1.00 0.00 C ATOM 1241 C VAL A 82 60.348 7.291 7.643 1.00 0.00 C ATOM 1242 O VAL A 82 60.026 8.377 8.083 1.00 0.00 O ATOM 1243 CB VAL A 82 61.255 5.620 9.316 1.00 0.00 C ATOM 1244 CG1 VAL A 82 60.967 4.302 10.039 1.00 0.00 C ATOM 1245 CG2 VAL A 82 62.517 5.461 8.461 1.00 0.00 C ATOM 1246 HA VAL A 82 59.172 6.211 9.048 1.00 0.00 H ATOM 1247 HB VAL A 82 61.417 6.413 10.046 1.00 0.00 H ATOM 1248 HG11 VAL A 82 60.084 4.419 10.668 1.00 0.00 H ATOM 1249 HG12 VAL A 82 60.789 3.517 9.304 1.00 0.00 H ATOM 1250 HG13 VAL A 82 61.823 4.034 10.659 1.00 0.00 H ATOM 1251 HG21 VAL A 82 62.355 4.681 7.718 1.00 0.00 H ATOM 1252 HG22 VAL A 82 62.735 6.403 7.959 1.00 0.00 H ATOM 1253 HG23 VAL A 82 63.356 5.186 9.101 1.00 0.00 H ATOM 1254 H VAL A 82 60.410 4.011 7.554 1.00 0.00 H ATOM 1255 N ARG A 83 60.942 7.172 6.477 1.00 0.00 N ATOM 1256 CA ARG A 83 61.248 8.384 5.648 1.00 0.00 C ATOM 1257 C ARG A 83 59.982 9.234 5.459 1.00 0.00 C ATOM 1258 O ARG A 83 59.999 10.435 5.651 1.00 0.00 O ATOM 1259 CB ARG A 83 61.734 7.835 4.303 1.00 0.00 C ATOM 1260 CG ARG A 83 63.264 7.753 4.303 1.00 0.00 C ATOM 1261 CD ARG A 83 63.789 7.981 2.883 1.00 0.00 C ATOM 1262 NE ARG A 83 63.609 9.441 2.631 1.00 0.00 N ATOM 1263 CZ ARG A 83 62.811 9.846 1.684 1.00 0.00 C ATOM 1264 NH1 ARG A 83 63.079 9.564 0.443 1.00 0.00 N ATOM 1265 NH2 ARG A 83 61.747 10.535 1.983 1.00 0.00 N ATOM 1266 HA ARG A 83 61.993 9.027 6.118 1.00 0.00 H ATOM 1267 HB2 ARG A 83 61.317 6.840 4.145 1.00 0.00 H ATOM 1268 HB3 ARG A 83 61.406 8.496 3.501 1.00 0.00 H ATOM 1269 HG2 ARG A 83 63.669 8.517 4.967 1.00 0.00 H ATOM 1270 HG3 ARG A 83 63.575 6.768 4.652 1.00 0.00 H ATOM 1271 HD2 ARG A 83 63.216 7.395 2.164 1.00 0.00 H ATOM 1272 HD3 ARG A 83 64.842 7.708 2.816 1.00 0.00 H ATOM 1273 HE ARG A 83 64.121 10.136 3.212 1.00 0.00 H ATOM 1274 HH12 ARG A 83 62.442 9.887 -0.313 1.00 0.00 H ATOM 1275 HH11 ARG A 83 63.930 9.015 0.207 1.00 0.00 H ATOM 1276 HH22 ARG A 83 61.109 10.859 1.229 1.00 0.00 H ATOM 1277 HH21 ARG A 83 61.536 10.761 2.976 1.00 0.00 H ATOM 1278 H ARG A 83 61.202 6.228 6.126 1.00 0.00 H ATOM 1279 N CYS A 84 58.881 8.613 5.104 1.00 0.00 N ATOM 1280 CA CYS A 84 57.605 9.379 4.925 1.00 0.00 C ATOM 1281 C CYS A 84 56.770 9.346 6.221 1.00 0.00 C ATOM 1282 O CYS A 84 55.736 9.981 6.315 1.00 0.00 O ATOM 1283 CB CYS A 84 56.866 8.674 3.783 1.00 0.00 C ATOM 1284 SG CYS A 84 57.604 9.154 2.200 1.00 0.00 S ATOM 1285 HA CYS A 84 57.788 10.429 4.698 1.00 0.00 H ATOM 1286 HB2 CYS A 84 55.815 8.963 3.797 1.00 0.00 H ATOM 1287 HB3 CYS A 84 56.947 7.594 3.909 1.00 0.00 H ATOM 1288 HG CYS A 84 56.938 8.518 1.172 1.00 0.00 H ATOM 1289 H CYS A 84 58.894 7.585 4.946 1.00 0.00 H ATOM 1290 N MET A 85 57.216 8.618 7.221 1.00 0.00 N ATOM 1291 CA MET A 85 56.464 8.547 8.514 1.00 0.00 C ATOM 1292 C MET A 85 56.788 9.757 9.412 1.00 0.00 C ATOM 1293 O MET A 85 56.123 9.983 10.405 1.00 0.00 O ATOM 1294 CB MET A 85 56.943 7.250 9.176 1.00 0.00 C ATOM 1295 CG MET A 85 55.838 6.687 10.072 1.00 0.00 C ATOM 1296 SD MET A 85 56.572 6.018 11.586 1.00 0.00 S ATOM 1297 CE MET A 85 57.028 4.399 10.918 1.00 0.00 C ATOM 1298 HA MET A 85 55.386 8.561 8.355 1.00 0.00 H ATOM 1299 HB2 MET A 85 57.191 6.520 8.405 1.00 0.00 H ATOM 1300 HB3 MET A 85 57.828 7.456 9.778 1.00 0.00 H ATOM 1301 HG2 MET A 85 55.309 5.894 9.543 1.00 0.00 H ATOM 1302 HG3 MET A 85 55.137 7.481 10.328 1.00 0.00 H ATOM 1303 HE1 MET A 85 56.132 3.886 10.569 1.00 0.00 H ATOM 1304 HE2 MET A 85 57.719 4.532 10.086 1.00 0.00 H ATOM 1305 HE3 MET A 85 57.507 3.807 11.698 1.00 0.00 H ATOM 1306 H MET A 85 58.102 8.085 7.113 1.00 0.00 H ATOM 1307 N LYS A 86 57.807 10.529 9.074 1.00 0.00 N ATOM 1308 CA LYS A 86 58.191 11.725 9.903 1.00 0.00 C ATOM 1309 C LYS A 86 58.643 11.286 11.309 1.00 0.00 C ATOM 1310 O LYS A 86 58.734 10.107 11.599 1.00 0.00 O ATOM 1311 CB LYS A 86 56.936 12.613 9.972 1.00 0.00 C ATOM 1312 CG LYS A 86 56.917 13.575 8.779 1.00 0.00 C ATOM 1313 CD LYS A 86 56.363 12.855 7.543 1.00 0.00 C ATOM 1314 CE LYS A 86 54.886 13.217 7.344 1.00 0.00 C ATOM 1315 NZ LYS A 86 54.131 11.936 7.506 1.00 0.00 N ATOM 1316 HA LYS A 86 59.029 12.267 9.465 1.00 0.00 H ATOM 1317 HB2 LYS A 86 56.046 11.985 9.945 1.00 0.00 H ATOM 1318 HB3 LYS A 86 56.948 13.186 10.899 1.00 0.00 H ATOM 1319 HG2 LYS A 86 56.285 14.431 9.014 1.00 0.00 H ATOM 1320 HG3 LYS A 86 57.931 13.919 8.574 1.00 0.00 H ATOM 1321 HD2 LYS A 86 56.931 13.158 6.663 1.00 0.00 H ATOM 1322 HD3 LYS A 86 56.456 11.778 7.680 1.00 0.00 H ATOM 1323 HE2 LYS A 86 54.726 13.630 6.348 1.00 0.00 H ATOM 1324 HE3 LYS A 86 54.568 13.943 8.092 1.00 0.00 H ATOM 1325 HZ1 LYS A 86 54.453 11.252 6.792 1.00 0.00 H ATOM 1326 HZ2 LYS A 86 54.302 11.552 8.457 1.00 0.00 H ATOM 1327 HZ3 LYS A 86 53.114 12.116 7.381 1.00 0.00 H ATOM 1328 H LYS A 86 58.354 10.305 8.218 1.00 0.00 H ATOM 1329 N ASP A 87 58.941 12.221 12.177 1.00 0.00 N ATOM 1330 CA ASP A 87 59.399 11.846 13.554 1.00 0.00 C ATOM 1331 C ASP A 87 58.330 12.185 14.608 1.00 0.00 C ATOM 1332 O ASP A 87 57.232 12.598 14.286 1.00 0.00 O ATOM 1333 CB ASP A 87 60.690 12.650 13.782 1.00 0.00 C ATOM 1334 CG ASP A 87 60.380 14.144 13.918 1.00 0.00 C ATOM 1335 OD1 ASP A 87 59.969 14.740 12.936 1.00 0.00 O ATOM 1336 OD2 ASP A 87 60.571 14.664 15.002 1.00 0.00 O ATOM 1337 HA ASP A 87 59.572 10.774 13.646 1.00 0.00 H ATOM 1338 HB2 ASP A 87 61.174 12.300 14.694 1.00 0.00 H ATOM 1339 HB3 ASP A 87 61.360 12.499 12.936 1.00 0.00 H ATOM 1340 H ASP A 87 58.860 13.223 11.911 1.00 0.00 H ATOM 1341 N ASP A 88 58.647 11.991 15.864 1.00 0.00 N ATOM 1342 CA ASP A 88 57.659 12.276 16.955 1.00 0.00 C ATOM 1343 C ASP A 88 57.865 13.681 17.557 1.00 0.00 C ATOM 1344 O ASP A 88 56.944 14.262 18.100 1.00 0.00 O ATOM 1345 CB ASP A 88 57.918 11.188 18.010 1.00 0.00 C ATOM 1346 CG ASP A 88 59.271 11.425 18.692 1.00 0.00 C ATOM 1347 OD1 ASP A 88 60.284 11.171 18.061 1.00 0.00 O ATOM 1348 OD2 ASP A 88 59.269 11.860 19.831 1.00 0.00 O ATOM 1349 HA ASP A 88 56.634 12.262 16.583 1.00 0.00 H ATOM 1350 HB2 ASP A 88 57.127 11.216 18.759 1.00 0.00 H ATOM 1351 HB3 ASP A 88 57.924 10.211 17.527 1.00 0.00 H ATOM 1352 H ASP A 88 59.594 11.636 16.107 1.00 0.00 H ATOM 1353 N SER A 89 59.057 14.223 17.473 1.00 0.00 N ATOM 1354 CA SER A 89 59.309 15.586 18.053 1.00 0.00 C ATOM 1355 C SER A 89 58.670 16.687 17.188 1.00 0.00 C ATOM 1356 O SER A 89 58.443 17.763 17.715 1.00 0.00 O ATOM 1357 CB SER A 89 60.833 15.740 18.076 1.00 0.00 C ATOM 1358 OG SER A 89 61.363 15.032 19.192 1.00 0.00 O ATOM 1359 HA SER A 89 58.871 15.683 19.046 1.00 0.00 H ATOM 1360 OXT SER A 89 58.418 16.439 16.018 1.00 0.00 O ATOM 1361 HB2 SER A 89 61.091 16.796 18.159 1.00 0.00 H ATOM 1362 HB3 SER A 89 61.254 15.336 17.155 1.00 0.00 H ATOM 1363 HG SER A 89 62.348 15.131 19.207 1.00 0.00 H ATOM 1364 H SER A 89 59.829 13.708 17.004 1.00 0.00 H TER 1365 SER A 89 ATOM 1366 N ARG B 144 51.911 15.941 -11.577 1.00 0.00 N ATOM 1367 CA ARG B 144 52.216 14.486 -11.405 1.00 0.00 C ATOM 1368 C ARG B 144 51.506 13.942 -10.159 1.00 0.00 C ATOM 1369 O ARG B 144 51.467 14.586 -9.128 1.00 0.00 O ATOM 1370 CB ARG B 144 53.741 14.407 -11.245 1.00 0.00 C ATOM 1371 CG ARG B 144 54.335 13.545 -12.365 1.00 0.00 C ATOM 1372 CD ARG B 144 54.239 12.064 -11.984 1.00 0.00 C ATOM 1373 NE ARG B 144 55.165 11.362 -12.922 1.00 0.00 N ATOM 1374 CZ ARG B 144 54.688 10.645 -13.901 1.00 0.00 C ATOM 1375 NH1 ARG B 144 54.355 11.218 -15.023 1.00 0.00 N ATOM 1376 NH2 ARG B 144 54.548 9.358 -13.758 1.00 0.00 N ATOM 1377 HA ARG B 144 51.872 13.889 -12.250 1.00 0.00 H ATOM 1378 HB2 ARG B 144 54.163 15.410 -11.297 1.00 0.00 H ATOM 1379 HB3 ARG B 144 53.982 13.963 -10.279 1.00 0.00 H ATOM 1380 HG2 ARG B 144 53.782 13.718 -13.288 1.00 0.00 H ATOM 1381 HG3 ARG B 144 55.381 13.814 -12.514 1.00 0.00 H ATOM 1382 HD2 ARG B 144 53.219 11.701 -12.109 1.00 0.00 H ATOM 1383 HD3 ARG B 144 54.553 11.913 -10.951 1.00 0.00 H ATOM 1384 HE ARG B 144 56.194 11.445 -12.794 1.00 0.00 H ATOM 1385 HH12 ARG B 144 53.974 10.648 -15.805 1.00 0.00 H ATOM 1386 HH11 ARG B 144 54.470 12.245 -15.136 1.00 0.00 H ATOM 1387 HH22 ARG B 144 54.168 8.786 -14.539 1.00 0.00 H ATOM 1388 HH21 ARG B 144 54.817 8.902 -12.863 1.00 0.00 H ATOM 1389 HN3 ARG B 144 52.240 16.464 -10.740 1.00 0.00 H ATOM 1390 HN2 ARG B 144 50.885 16.068 -11.686 1.00 0.00 H ATOM 1391 HN1 ARG B 144 52.397 16.298 -12.424 1.00 0.00 H ATOM 1392 N ARG B 145 50.939 12.766 -10.250 1.00 0.00 N ATOM 1393 CA ARG B 145 50.223 12.181 -9.076 1.00 0.00 C ATOM 1394 C ARG B 145 50.948 10.916 -8.583 1.00 0.00 C ATOM 1395 O ARG B 145 50.374 9.845 -8.516 1.00 0.00 O ATOM 1396 CB ARG B 145 48.825 11.843 -9.607 1.00 0.00 C ATOM 1397 CG ARG B 145 47.810 11.901 -8.462 1.00 0.00 C ATOM 1398 CD ARG B 145 46.934 13.149 -8.615 1.00 0.00 C ATOM 1399 NE ARG B 145 45.692 12.667 -9.287 1.00 0.00 N ATOM 1400 CZ ARG B 145 44.538 12.775 -8.691 1.00 0.00 C ATOM 1401 NH1 ARG B 145 44.128 11.828 -7.895 1.00 0.00 N ATOM 1402 NH2 ARG B 145 43.799 13.829 -8.890 1.00 0.00 N ATOM 1403 HA ARG B 145 50.183 12.862 -8.226 1.00 0.00 H ATOM 1404 HB2 ARG B 145 48.545 12.563 -10.376 1.00 0.00 H ATOM 1405 HB3 ARG B 145 48.832 10.840 -10.035 1.00 0.00 H ATOM 1406 HG2 ARG B 145 47.182 11.011 -8.488 1.00 0.00 H ATOM 1407 HG3 ARG B 145 48.339 11.943 -7.510 1.00 0.00 H ATOM 1408 HD2 ARG B 145 47.436 13.898 -9.228 1.00 0.00 H ATOM 1409 HD3 ARG B 145 46.701 13.576 -7.640 1.00 0.00 H ATOM 1410 HE ARG B 145 45.747 12.243 -10.235 1.00 0.00 H ATOM 1411 HH12 ARG B 145 43.208 11.912 -7.418 1.00 0.00 H ATOM 1412 HH11 ARG B 145 44.721 10.989 -7.737 1.00 0.00 H ATOM 1413 HH22 ARG B 145 42.878 13.916 -8.415 1.00 0.00 H ATOM 1414 HH21 ARG B 145 44.130 14.584 -9.524 1.00 0.00 H ATOM 1415 H ARG B 145 50.987 12.236 -11.144 1.00 0.00 H ATOM 1416 N VAL B 146 52.207 11.035 -8.237 1.00 0.00 N ATOM 1417 CA VAL B 146 52.975 9.844 -7.749 1.00 0.00 C ATOM 1418 C VAL B 146 53.523 10.110 -6.338 1.00 0.00 C ATOM 1419 O VAL B 146 54.495 10.821 -6.159 1.00 0.00 O ATOM 1420 CB VAL B 146 54.114 9.658 -8.762 1.00 0.00 C ATOM 1421 CG1 VAL B 146 55.063 8.557 -8.281 1.00 0.00 C ATOM 1422 CG2 VAL B 146 53.529 9.255 -10.120 1.00 0.00 C ATOM 1423 HA VAL B 146 52.356 8.950 -7.678 1.00 0.00 H ATOM 1424 HB VAL B 146 54.662 10.595 -8.858 1.00 0.00 H ATOM 1425 HG11 VAL B 146 55.482 8.837 -7.315 1.00 0.00 H ATOM 1426 HG12 VAL B 146 54.512 7.622 -8.182 1.00 0.00 H ATOM 1427 HG13 VAL B 146 55.868 8.431 -9.005 1.00 0.00 H ATOM 1428 HG21 VAL B 146 52.979 8.320 -10.014 1.00 0.00 H ATOM 1429 HG22 VAL B 146 52.855 10.037 -10.470 1.00 0.00 H ATOM 1430 HG23 VAL B 146 54.338 9.123 -10.838 1.00 0.00 H ATOM 1431 H VAL B 146 52.676 11.961 -8.302 1.00 0.00 H ATOM 1432 N ARG B 147 52.897 9.541 -5.337 1.00 0.00 N ATOM 1433 CA ARG B 147 53.361 9.748 -3.929 1.00 0.00 C ATOM 1434 C ARG B 147 52.719 8.702 -3.007 1.00 0.00 C ATOM 1435 O ARG B 147 51.539 8.420 -3.104 1.00 0.00 O ATOM 1436 CB ARG B 147 52.898 11.162 -3.558 1.00 0.00 C ATOM 1437 CG ARG B 147 53.267 11.470 -2.099 1.00 0.00 C ATOM 1438 CD ARG B 147 54.791 11.430 -1.920 1.00 0.00 C ATOM 1439 NE ARG B 147 55.325 12.471 -2.845 1.00 0.00 N ATOM 1440 CZ ARG B 147 56.492 12.311 -3.401 1.00 0.00 C ATOM 1441 NH1 ARG B 147 57.573 12.492 -2.700 1.00 0.00 N ATOM 1442 NH2 ARG B 147 56.572 11.968 -4.654 1.00 0.00 N ATOM 1443 HA ARG B 147 54.441 9.641 -3.826 1.00 0.00 H ATOM 1444 HB2 ARG B 147 53.384 11.885 -4.214 1.00 0.00 H ATOM 1445 HB3 ARG B 147 51.817 11.232 -3.680 1.00 0.00 H ATOM 1446 HG2 ARG B 147 52.899 12.461 -1.835 1.00 0.00 H ATOM 1447 HG3 ARG B 147 52.808 10.728 -1.446 1.00 0.00 H ATOM 1448 HD2 ARG B 147 55.181 10.447 -2.185 1.00 0.00 H ATOM 1449 HD3 ARG B 147 55.061 11.660 -0.889 1.00 0.00 H ATOM 1450 HE ARG B 147 54.766 13.324 -3.046 1.00 0.00 H ATOM 1451 HH12 ARG B 147 58.506 12.365 -3.141 1.00 0.00 H ATOM 1452 HH11 ARG B 147 57.504 12.764 -1.698 1.00 0.00 H ATOM 1453 HH22 ARG B 147 57.503 11.840 -5.100 1.00 0.00 H ATOM 1454 HH21 ARG B 147 55.705 11.822 -5.210 1.00 0.00 H ATOM 1455 H ARG B 147 52.069 8.939 -5.523 1.00 0.00 H ATOM 1456 N ILE B 148 53.490 8.121 -2.123 1.00 0.00 N ATOM 1457 CA ILE B 148 52.929 7.082 -1.204 1.00 0.00 C ATOM 1458 C ILE B 148 53.349 7.359 0.246 1.00 0.00 C ATOM 1459 O ILE B 148 54.460 7.774 0.516 1.00 0.00 O ATOM 1460 CB ILE B 148 53.521 5.755 -1.708 1.00 0.00 C ATOM 1461 CG1 ILE B 148 52.825 5.354 -3.015 1.00 0.00 C ATOM 1462 CG2 ILE B 148 53.311 4.649 -0.666 1.00 0.00 C ATOM 1463 CD1 ILE B 148 53.684 5.776 -4.211 1.00 0.00 C ATOM 1464 HA ILE B 148 51.839 7.069 -1.207 1.00 0.00 H ATOM 1465 HB ILE B 148 54.590 5.886 -1.878 1.00 0.00 H ATOM 1466 HG12 ILE B 148 52.684 4.273 -3.034 1.00 0.00 H ATOM 1467 HG13 ILE B 148 51.854 5.847 -3.074 1.00 0.00 H ATOM 1468 HD11 ILE B 148 53.823 6.857 -4.193 1.00 0.00 H ATOM 1469 HD12 ILE B 148 54.654 5.282 -4.152 1.00 0.00 H ATOM 1470 HD13 ILE B 148 53.184 5.488 -5.136 1.00 0.00 H ATOM 1471 HG21 ILE B 148 53.805 4.929 0.264 1.00 0.00 H ATOM 1472 HG22 ILE B 148 52.244 4.518 -0.487 1.00 0.00 H ATOM 1473 HG23 ILE B 148 53.735 3.716 -1.037 1.00 0.00 H ATOM 1474 H ILE B 148 54.495 8.382 -2.059 1.00 0.00 H ATOM 1475 N SER B 149 52.462 7.117 1.179 1.00 0.00 N ATOM 1476 CA SER B 149 52.789 7.344 2.622 1.00 0.00 C ATOM 1477 C SER B 149 52.832 5.996 3.358 1.00 0.00 C ATOM 1478 O SER B 149 52.256 5.022 2.910 1.00 0.00 O ATOM 1479 CB SER B 149 51.652 8.225 3.152 1.00 0.00 C ATOM 1480 OG SER B 149 51.525 8.048 4.558 1.00 0.00 O ATOM 1481 HA SER B 149 53.760 7.817 2.767 1.00 0.00 H ATOM 1482 HB2 SER B 149 50.718 7.944 2.665 1.00 0.00 H ATOM 1483 HB3 SER B 149 51.872 9.270 2.936 1.00 0.00 H ATOM 1484 HG SER B 149 50.790 8.618 4.896 1.00 0.00 H ATOM 1485 H SER B 149 51.520 6.763 0.914 1.00 0.00 H ATOM 1486 N ALA B 150 53.510 5.930 4.479 1.00 0.00 N ATOM 1487 CA ALA B 150 53.589 4.639 5.237 1.00 0.00 C ATOM 1488 C ALA B 150 52.182 4.140 5.600 1.00 0.00 C ATOM 1489 O ALA B 150 51.807 3.031 5.268 1.00 0.00 O ATOM 1490 CB ALA B 150 54.392 4.956 6.503 1.00 0.00 C ATOM 1491 HA ALA B 150 54.060 3.852 4.647 1.00 0.00 H ATOM 1492 HB1 ALA B 150 55.382 5.315 6.223 1.00 0.00 H ATOM 1493 HB2 ALA B 150 53.874 5.724 7.077 1.00 0.00 H ATOM 1494 HB3 ALA B 150 54.489 4.053 7.106 1.00 0.00 H ATOM 1495 H ALA B 150 53.994 6.776 4.843 1.00 0.00 H ATOM 1496 N ASP B 151 51.400 4.952 6.270 1.00 0.00 N ATOM 1497 CA ASP B 151 50.016 4.525 6.648 1.00 0.00 C ATOM 1498 C ASP B 151 49.150 4.326 5.393 1.00 0.00 C ATOM 1499 O ASP B 151 48.390 3.381 5.301 1.00 0.00 O ATOM 1500 CB ASP B 151 49.471 5.668 7.510 1.00 0.00 C ATOM 1501 CG ASP B 151 48.090 5.293 8.054 1.00 0.00 C ATOM 1502 OD1 ASP B 151 48.037 4.714 9.126 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.111 5.592 7.390 1.00 0.00 O ATOM 1504 HA ASP B 151 50.010 3.574 7.181 1.00 0.00 H ATOM 1505 HB2 ASP B 151 50.151 5.850 8.342 1.00 0.00 H ATOM 1506 HB3 ASP B 151 49.389 6.571 6.905 1.00 0.00 H ATOM 1507 H ASP B 151 51.743 5.896 6.540 1.00 0.00 H ATOM 1508 N ALA B 152 49.264 5.209 4.428 1.00 0.00 N ATOM 1509 CA ALA B 152 48.450 5.076 3.176 1.00 0.00 C ATOM 1510 C ALA B 152 48.756 3.748 2.470 1.00 0.00 C ATOM 1511 O ALA B 152 47.860 2.984 2.160 1.00 0.00 O ATOM 1512 CB ALA B 152 48.868 6.259 2.300 1.00 0.00 C ATOM 1513 HA ALA B 152 47.380 5.080 3.384 1.00 0.00 H ATOM 1514 HB1 ALA B 152 48.652 7.191 2.823 1.00 0.00 H ATOM 1515 HB2 ALA B 152 49.936 6.197 2.093 1.00 0.00 H ATOM 1516 HB3 ALA B 152 48.313 6.229 1.363 1.00 0.00 H ATOM 1517 H ALA B 152 49.924 6.006 4.533 1.00 0.00 H ATOM 1518 N MET B 153 50.012 3.463 2.219 1.00 0.00 N ATOM 1519 CA MET B 153 50.368 2.179 1.537 1.00 0.00 C ATOM 1520 C MET B 153 49.962 0.984 2.412 1.00 0.00 C ATOM 1521 O MET B 153 49.454 -0.003 1.920 1.00 0.00 O ATOM 1522 CB MET B 153 51.887 2.228 1.348 1.00 0.00 C ATOM 1523 CG MET B 153 52.297 1.271 0.223 1.00 0.00 C ATOM 1524 SD MET B 153 51.704 1.907 -1.366 1.00 0.00 S ATOM 1525 CE MET B 153 53.095 1.333 -2.375 1.00 0.00 C ATOM 1526 HA MET B 153 49.851 2.061 0.585 1.00 0.00 H ATOM 1527 HB2 MET B 153 52.188 3.243 1.089 1.00 0.00 H ATOM 1528 HB3 MET B 153 52.378 1.930 2.275 1.00 0.00 H ATOM 1529 HG2 MET B 153 51.861 0.289 0.406 1.00 0.00 H ATOM 1530 HG3 MET B 153 53.383 1.186 0.197 1.00 0.00 H ATOM 1531 HE1 MET B 153 54.018 1.784 -2.010 1.00 0.00 H ATOM 1532 HE2 MET B 153 53.168 0.248 -2.307 1.00 0.00 H ATOM 1533 HE3 MET B 153 52.933 1.624 -3.413 1.00 0.00 H ATOM 1534 H MET B 153 50.761 4.130 2.494 1.00 0.00 H ATOM 1535 N MET B 154 50.169 1.073 3.706 1.00 0.00 N ATOM 1536 CA MET B 154 49.780 -0.056 4.616 1.00 0.00 C ATOM 1537 C MET B 154 48.260 -0.265 4.578 1.00 0.00 C ATOM 1538 O MET B 154 47.783 -1.383 4.500 1.00 0.00 O ATOM 1539 CB MET B 154 50.222 0.379 6.017 1.00 0.00 C ATOM 1540 CG MET B 154 51.518 -0.342 6.393 1.00 0.00 C ATOM 1541 SD MET B 154 51.500 -0.726 8.161 1.00 0.00 S ATOM 1542 CE MET B 154 50.619 -2.303 8.040 1.00 0.00 C ATOM 1543 HA MET B 154 50.243 -0.997 4.319 1.00 0.00 H ATOM 1544 HB2 MET B 154 50.390 1.456 6.027 1.00 0.00 H ATOM 1545 HB3 MET B 154 49.444 0.127 6.738 1.00 0.00 H ATOM 1546 HG2 MET B 154 52.370 0.300 6.168 1.00 0.00 H ATOM 1547 HG3 MET B 154 51.600 -1.266 5.821 1.00 0.00 H ATOM 1548 HE1 MET B 154 49.640 -2.137 7.590 1.00 0.00 H ATOM 1549 HE2 MET B 154 51.193 -2.992 7.420 1.00 0.00 H ATOM 1550 HE3 MET B 154 50.495 -2.726 9.037 1.00 0.00 H ATOM 1551 H MET B 154 50.605 1.930 4.102 1.00 0.00 H ATOM 1552 N GLN B 155 47.502 0.805 4.623 1.00 0.00 N ATOM 1553 CA GLN B 155 46.009 0.687 4.579 1.00 0.00 C ATOM 1554 C GLN B 155 45.573 0.008 3.273 1.00 0.00 C ATOM 1555 O GLN B 155 44.680 -0.817 3.262 1.00 0.00 O ATOM 1556 CB GLN B 155 45.494 2.130 4.639 1.00 0.00 C ATOM 1557 CG GLN B 155 44.058 2.146 5.173 1.00 0.00 C ATOM 1558 CD GLN B 155 44.059 2.562 6.647 1.00 0.00 C ATOM 1559 OE1 GLN B 155 43.780 1.762 7.516 1.00 0.00 O ATOM 1560 NE2 GLN B 155 44.364 3.788 6.968 1.00 0.00 N ATOM 1561 HA GLN B 155 45.615 0.083 5.397 1.00 0.00 H ATOM 1562 HB2 GLN B 155 46.133 2.716 5.300 1.00 0.00 H ATOM 1563 HB3 GLN B 155 45.514 2.564 3.639 1.00 0.00 H ATOM 1564 HG2 GLN B 155 43.465 2.856 4.596 1.00 0.00 H ATOM 1565 HG3 GLN B 155 43.625 1.150 5.078 1.00 0.00 H ATOM 1566 HE22 GLN B 155 44.604 4.476 6.226 1.00 0.00 H ATOM 1567 HE21 GLN B 155 44.368 4.078 7.967 1.00 0.00 H ATOM 1568 H GLN B 155 47.942 1.745 4.690 1.00 0.00 H ATOM 1569 N ALA B 156 46.209 0.342 2.176 1.00 0.00 N ATOM 1570 CA ALA B 156 45.847 -0.294 0.872 1.00 0.00 C ATOM 1571 C ALA B 156 46.457 -1.703 0.777 1.00 0.00 C ATOM 1572 O ALA B 156 45.956 -2.553 0.067 1.00 0.00 O ATOM 1573 CB ALA B 156 46.443 0.624 -0.199 1.00 0.00 C ATOM 1574 HA ALA B 156 44.769 -0.408 0.756 1.00 0.00 H ATOM 1575 HB1 ALA B 156 46.010 1.620 -0.104 1.00 0.00 H ATOM 1576 HB2 ALA B 156 47.523 0.682 -0.066 1.00 0.00 H ATOM 1577 HB3 ALA B 156 46.218 0.222 -1.187 1.00 0.00 H ATOM 1578 H ALA B 156 46.968 1.052 2.213 1.00 0.00 H ATOM 1579 N LEU B 157 47.533 -1.954 1.489 1.00 0.00 N ATOM 1580 CA LEU B 157 48.175 -3.306 1.442 1.00 0.00 C ATOM 1581 C LEU B 157 47.282 -4.350 2.130 1.00 0.00 C ATOM 1582 O LEU B 157 46.999 -5.391 1.572 1.00 0.00 O ATOM 1583 CB LEU B 157 49.509 -3.145 2.190 1.00 0.00 C ATOM 1584 CG LEU B 157 50.559 -4.122 1.638 1.00 0.00 C ATOM 1585 CD1 LEU B 157 50.173 -5.555 1.999 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.647 -3.989 0.115 1.00 0.00 C ATOM 1587 HA LEU B 157 48.326 -3.653 0.420 1.00 0.00 H ATOM 1588 HB2 LEU B 157 49.869 -2.124 2.066 1.00 0.00 H ATOM 1589 HB3 LEU B 157 49.353 -3.347 3.250 1.00 0.00 H ATOM 1590 HG LEU B 157 51.528 -3.884 2.078 1.00 0.00 H ATOM 1591 HD21 LEU B 157 49.676 -4.218 -0.325 1.00 0.00 H ATOM 1592 HD22 LEU B 157 50.933 -2.970 -0.143 1.00 0.00 H ATOM 1593 HD23 LEU B 157 51.394 -4.685 -0.267 1.00 0.00 H ATOM 1594 HD11 LEU B 157 50.123 -5.654 3.083 1.00 0.00 H ATOM 1595 HD12 LEU B 157 49.200 -5.788 1.566 1.00 0.00 H ATOM 1596 HD13 LEU B 157 50.922 -6.242 1.605 1.00 0.00 H ATOM 1597 H LEU B 157 47.941 -1.209 2.089 1.00 0.00 H ATOM 1598 N LEU B 158 46.831 -4.078 3.331 1.00 0.00 N ATOM 1599 CA LEU B 158 45.952 -5.057 4.044 1.00 0.00 C ATOM 1600 C LEU B 158 44.562 -4.446 4.286 1.00 0.00 C ATOM 1601 O LEU B 158 44.016 -4.522 5.371 1.00 0.00 O ATOM 1602 CB LEU B 158 46.666 -5.341 5.372 1.00 0.00 C ATOM 1603 CG LEU B 158 47.765 -6.386 5.154 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.007 -5.999 5.959 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.267 -7.758 5.616 1.00 0.00 C ATOM 1606 HA LEU B 158 45.795 -5.969 3.469 1.00 0.00 H ATOM 1607 HB2 LEU B 158 47.111 -4.420 5.749 1.00 0.00 H ATOM 1608 HB3 LEU B 158 45.946 -5.718 6.098 1.00 0.00 H ATOM 1609 HG LEU B 158 48.017 -6.428 4.094 1.00 0.00 H ATOM 1610 HD21 LEU B 158 47.013 -7.713 6.675 1.00 0.00 H ATOM 1611 HD22 LEU B 158 46.383 -8.035 5.041 1.00 0.00 H ATOM 1612 HD23 LEU B 158 48.051 -8.499 5.460 1.00 0.00 H ATOM 1613 HD11 LEU B 158 49.363 -5.023 5.629 1.00 0.00 H ATOM 1614 HD12 LEU B 158 48.753 -5.955 7.018 1.00 0.00 H ATOM 1615 HD13 LEU B 158 49.787 -6.744 5.802 1.00 0.00 H ATOM 1616 H LEU B 158 47.085 -3.180 3.789 1.00 0.00 H ATOM 1617 N GLY B 159 43.986 -3.841 3.277 1.00 0.00 N ATOM 1618 CA GLY B 159 42.634 -3.222 3.438 1.00 0.00 C ATOM 1619 C GLY B 159 41.942 -3.122 2.078 1.00 0.00 C ATOM 1620 O GLY B 159 40.860 -3.642 1.887 1.00 0.00 O ATOM 1621 HA3 GLY B 159 42.741 -2.224 3.863 1.00 0.00 H ATOM 1622 HA2 GLY B 159 42.032 -3.838 4.106 1.00 0.00 H ATOM 1623 H GLY B 159 44.472 -3.791 2.359 1.00 0.00 H ATOM 1624 N ALA B 160 42.559 -2.459 1.131 1.00 0.00 N ATOM 1625 CA ALA B 160 41.938 -2.322 -0.223 1.00 0.00 C ATOM 1626 C ALA B 160 41.874 -3.687 -0.923 1.00 0.00 C ATOM 1627 O ALA B 160 42.838 -4.136 -1.511 1.00 0.00 O ATOM 1628 CB ALA B 160 42.855 -1.363 -0.988 1.00 0.00 C ATOM 1629 HA ALA B 160 40.915 -1.949 -0.170 1.00 0.00 H ATOM 1630 HB1 ALA B 160 42.895 -0.407 -0.466 1.00 0.00 H ATOM 1631 HB2 ALA B 160 43.857 -1.789 -1.047 1.00 0.00 H ATOM 1632 HB3 ALA B 160 42.463 -1.213 -1.994 1.00 0.00 H ATOM 1633 H ALA B 160 43.485 -2.026 1.322 1.00 0.00 H ATOM 1634 N ARG B 161 40.738 -4.346 -0.860 1.00 0.00 N ATOM 1635 CA ARG B 161 40.588 -5.687 -1.517 1.00 0.00 C ATOM 1636 C ARG B 161 41.731 -6.630 -1.104 1.00 0.00 C ATOM 1637 O ARG B 161 42.325 -7.303 -1.926 1.00 0.00 O ATOM 1638 CB ARG B 161 40.629 -5.396 -3.023 1.00 0.00 C ATOM 1639 CG ARG B 161 39.382 -5.975 -3.693 1.00 0.00 C ATOM 1640 CD ARG B 161 38.175 -5.084 -3.385 1.00 0.00 C ATOM 1641 NE ARG B 161 37.943 -4.306 -4.635 1.00 0.00 N ATOM 1642 CZ ARG B 161 36.991 -4.650 -5.451 1.00 0.00 C ATOM 1643 NH1 ARG B 161 35.758 -4.309 -5.196 1.00 0.00 N ATOM 1644 NH2 ARG B 161 37.269 -5.347 -6.515 1.00 0.00 N ATOM 1645 HA ARG B 161 39.664 -6.186 -1.225 1.00 0.00 H ATOM 1646 HB2 ARG B 161 40.660 -4.318 -3.184 1.00 0.00 H ATOM 1647 HB3 ARG B 161 41.519 -5.852 -3.457 1.00 0.00 H ATOM 1648 HG2 ARG B 161 39.536 -6.019 -4.771 1.00 0.00 H ATOM 1649 HG3 ARG B 161 39.198 -6.980 -3.313 1.00 0.00 H ATOM 1650 HD2 ARG B 161 38.394 -4.416 -2.552 1.00 0.00 H ATOM 1651 HD3 ARG B 161 37.302 -5.690 -3.143 1.00 0.00 H ATOM 1652 HE ARG B 161 38.544 -3.486 -4.855 1.00 0.00 H ATOM 1653 HH12 ARG B 161 34.997 -4.584 -5.849 1.00 0.00 H ATOM 1654 HH11 ARG B 161 35.536 -3.762 -4.340 1.00 0.00 H ATOM 1655 HH22 ARG B 161 36.509 -5.623 -7.169 1.00 0.00 H ATOM 1656 HH21 ARG B 161 38.251 -5.628 -6.711 1.00 0.00 H ATOM 1657 H ARG B 161 39.933 -3.932 -0.348 1.00 0.00 H ATOM 1658 N ALA B 162 42.040 -6.682 0.167 1.00 0.00 N ATOM 1659 CA ALA B 162 43.142 -7.576 0.639 1.00 0.00 C ATOM 1660 C ALA B 162 42.718 -8.320 1.913 1.00 0.00 C ATOM 1661 O ALA B 162 42.848 -9.526 2.006 1.00 0.00 O ATOM 1662 CB ALA B 162 44.315 -6.633 0.920 1.00 0.00 C ATOM 1663 HA ALA B 162 43.401 -8.341 -0.093 1.00 0.00 H ATOM 1664 HB1 ALA B 162 44.584 -6.107 0.004 1.00 0.00 H ATOM 1665 HB2 ALA B 162 44.024 -5.911 1.683 1.00 0.00 H ATOM 1666 HB3 ALA B 162 45.169 -7.212 1.272 1.00 0.00 H ATOM 1667 H ALA B 162 41.517 -6.099 0.851 1.00 0.00 H ATOM 1668 N LYS B 163 42.207 -7.611 2.889 1.00 0.00 N ATOM 1669 CA LYS B 163 41.766 -8.271 4.157 1.00 0.00 C ATOM 1670 C LYS B 163 40.311 -7.900 4.475 1.00 0.00 C ATOM 1671 O LYS B 163 39.954 -6.747 4.284 1.00 0.00 O ATOM 1672 CB LYS B 163 42.710 -7.728 5.234 1.00 0.00 C ATOM 1673 CG LYS B 163 42.394 -8.392 6.581 1.00 0.00 C ATOM 1674 CD LYS B 163 42.014 -7.320 7.610 1.00 0.00 C ATOM 1675 CE LYS B 163 40.487 -7.254 7.751 1.00 0.00 C ATOM 1676 NZ LYS B 163 40.082 -6.008 7.037 1.00 0.00 N ATOM 1677 HA LYS B 163 41.805 -9.358 4.091 1.00 0.00 H ATOM 1678 OXT LYS B 163 39.582 -8.772 4.917 1.00 0.00 O ATOM 1679 HB2 LYS B 163 43.741 -7.945 4.956 1.00 0.00 H ATOM 1680 HB3 LYS B 163 42.578 -6.650 5.322 1.00 0.00 H ATOM 1681 HG2 LYS B 163 41.563 -9.086 6.457 1.00 0.00 H ATOM 1682 HG3 LYS B 163 43.271 -8.936 6.931 1.00 0.00 H ATOM 1683 HD2 LYS B 163 42.456 -7.570 8.574 1.00 0.00 H ATOM 1684 HD3 LYS B 163 42.390 -6.351 7.280 1.00 0.00 H ATOM 1685 HE2 LYS B 163 40.202 -7.203 8.802 1.00 0.00 H ATOM 1686 HE3 LYS B 163 40.022 -8.126 7.292 1.00 0.00 H ATOM 1687 HZ1 LYS B 163 40.543 -5.189 7.482 1.00 0.00 H ATOM 1688 HZ2 LYS B 163 40.372 -6.071 6.040 1.00 0.00 H ATOM 1689 HZ3 LYS B 163 39.049 -5.898 7.092 1.00 0.00 H ATOM 1690 H LYS B 163 42.107 -6.581 2.781 1.00 0.00 H TER 1691 LYS B 163 HETATM 1692 CA CA A 1 69.009 -4.293 -1.610 1.00 0.00 CA HETATM 1693 OAA SXK A 2 59.771 11.305 -1.320 1.00 -0.57 O HETATM 1694 CAN SXK A 2 59.692 10.057 -1.192 1.00 0.07 C HETATM 1695 OAB SXK A 2 60.015 9.423 -0.167 1.00 -0.57 O HETATM 1696 CAL SXK A 2 59.162 9.231 -2.376 1.00 0.12 C HETATM 1697 OAM SXK A 2 57.879 8.607 -2.127 1.00 -0.30 O HETATM 1698 CAP SXK A 2 57.733 7.257 -1.915 1.00 0.09 C HETATM 1699 CAF SXK A 2 57.095 6.568 -2.986 1.00 -0.03 C HETATM 1700 CAH SXK A 2 56.889 5.173 -2.899 1.00 -0.06 C HETATM 1701 CAR SXK A 2 57.327 4.469 -1.738 1.00 -0.03 C HETATM 1702 CAI SXK A 2 57.965 5.163 -0.669 1.00 -0.06 C HETATM 1703 CAG SXK A 2 58.165 6.556 -0.764 1.00 -0.03 C HETATM 1704 H SXK A 2 58.653 7.093 0.050 1.00 0.05 H HETATM 1705 H SXK A 2 58.296 4.621 0.216 1.00 0.06 H HETATM 1706 CAS SXK A 2 57.124 3.080 -1.649 1.00 0.01 C HETATM 1707 CAJ SXK A 2 56.411 2.558 -0.551 1.00 -0.06 C HETATM 1708 CAE SXK A 2 56.225 1.156 -0.455 1.00 -0.03 C HETATM 1709 CAO SXK A 2 56.745 0.308 -1.450 1.00 0.13 C HETATM 1710 CAK SXK A 2 57.452 0.817 -2.546 1.00 0.01 C HETATM 1711 CAQ SXK A 2 57.644 2.216 -2.651 1.00 0.14 C HETATM 1712 FDD SXK A 2 58.337 2.690 -3.732 1.00 -0.18 F HETATM 1713 H SXK A 2 57.849 0.146 -3.308 1.00 0.06 H HETATM 1714 FCC SXK A 2 56.558 -1.035 -1.341 1.00 -0.18 F HETATM 1715 H SXK A 2 55.679 0.735 0.389 1.00 0.06 H HETATM 1716 H SXK A 2 56.008 3.223 0.213 1.00 0.06 H HETATM 1717 H SXK A 2 56.399 4.639 -3.713 1.00 0.06 H HETATM 1718 H SXK A 2 56.767 7.115 -3.870 1.00 0.05 H HETATM 1719 H SXK A 2 59.033 9.913 -3.216 1.00 0.08 H HETATM 1720 H SXK A 2 59.880 8.433 -2.562 1.00 0.08 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1003 1002 1692 CONECT 1048 1047 1052 1692 CONECT 1098 1096 1692 CONECT 1366 1367 1389 1390 1391 CONECT 1389 1366 CONECT 1390 1366 CONECT 1391 1366 CONECT 1692 1003 1048 1098 CONECT 1693 1694 CONECT 1694 1693 1695 1696 CONECT 1695 1694 CONECT 1696 1694 1697 1719 1720 CONECT 1697 1696 1698 CONECT 1698 1697 1699 1703 CONECT 1699 1698 1700 1718 CONECT 1700 1699 1701 1717 CONECT 1701 1700 1702 1706 CONECT 1702 1701 1703 1705 CONECT 1703 1698 1702 1704 CONECT 1704 1703 CONECT 1705 1702 CONECT 1706 1701 1707 1711 CONECT 1707 1706 1708 1716 CONECT 1708 1707 1709 1715 CONECT 1709 1708 1710 1714 CONECT 1710 1709 1711 1713 CONECT 1711 1706 1710 1712 CONECT 1712 1711 CONECT 1713 1710 CONECT 1714 1709 CONECT 1715 1708 CONECT 1716 1707 CONECT 1717 1700 CONECT 1718 1699 CONECT 1719 1696 CONECT 1720 1696 MASTER 0 0 0 0 0 0 0 0 1718 2 40 9 END
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Structure:
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Related entries of code: 2l1r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
17aa, >1LXF_2|Chain... at 100%
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PDBbind
17aa, >1MXL_2|Chain... at 100%
2kfx
RCSB PDB
PDBbind
89aa, >2KFX_1|Chain... at 100%
2krd
RCSB PDB
PDBbind
17aa, >2KRD_2|Chain... at 100%
5w88
RCSB PDB
PDBbind
120aa, >5W88_1|Chain... at 100%
5wcl
RCSB PDB
PDBbind
120aa, >5WCL_1|Chain... at 100%
6mv3
RCSB PDB
PDBbind
125aa, >6MV3_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2l1r
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
N-domain of troponin C and the switch region of troponin I complex
Ligand Name
SXK
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=270uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.MOL.CELL.CARDIOL. Vol. 49: pp. 1031-1041
Ligand Properties
Formula
C
1
4
H
1
0
F
2
O
3
Molecular Weight
264.224
Exact Mass
264.060
No. of atoms
29
No. of bonds
30
Polar Surface Area
46.53
LOGP Value
4.20 (
Computed with XLOGP3
)
3.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
OC(=O)COc1ccc(cc1)c1ccc(cc1F)F
InChI String
InChI=1S/C14H10F2O3/c15-10-3-6-12(13(16)7-10)9-1-4-11(5-2-9)19-8-14(17)18/h1-7H,8H2,(H,17,18)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P19429
P63316
Entrez Gene ID
NCBI Entrez Gene ID:
7137
7134
ASD
Information of known allosteric effects of PDB entries
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