Browse entries in the PDBbind-CN Database
HEADER 2KFX_COMPLEX COMPND 2KFX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 T 89 MET ASP ASP ILE TYR LYS ALA ALA VAL GLU GLN LEU THR SEQRES 2 T 89 GLU GLU GLN LYS ASN GLU PHE LYS ALA ALA PHE ASP ILE SEQRES 3 T 89 PHE VAL LEU GLY ALA GLU ASP GLY SER ILE SER THR LYS SEQRES 4 T 89 GLU LEU GLY LYS VAL MET ARG MET LEU GLY GLN ASN PRO SEQRES 5 T 89 THR PRO GLU GLU LEU GLN GLU MET ILE ASP GLU VAL ASP SEQRES 6 T 89 GLU ASP GLY SER GLY THR VAL ASP PHE ASP GLU PHE LEU SEQRES 7 T 89 VAL MET MET VAL ARG SER MET LYS ASP ASP SER HET CA A 1 1 HET WW A 7 44 ATOM 1 N MET T 1 76.951 -18.525 8.054 1.00 0.00 N ATOM 2 CA MET T 1 75.683 -18.679 7.286 1.00 0.00 C ATOM 3 C MET T 1 75.506 -17.482 6.357 1.00 0.00 C ATOM 4 O MET T 1 75.684 -17.593 5.145 1.00 0.00 O ATOM 5 CB MET T 1 74.507 -18.763 8.260 1.00 0.00 C ATOM 6 CG MET T 1 74.841 -19.749 9.381 1.00 0.00 C ATOM 7 SD MET T 1 73.363 -20.050 10.381 1.00 0.00 S ATOM 8 CE MET T 1 72.717 -21.438 9.417 1.00 0.00 C ATOM 9 HA MET T 1 75.721 -19.591 6.691 1.00 0.00 H ATOM 10 HB2 MET T 1 74.318 -17.778 8.687 1.00 0.00 H ATOM 11 HB3 MET T 1 73.619 -19.104 7.729 1.00 0.00 H ATOM 12 HG2 MET T 1 75.627 -19.331 10.010 1.00 0.00 H ATOM 13 HG3 MET T 1 75.185 -20.689 8.948 1.00 0.00 H ATOM 14 HE1 MET T 1 72.528 -21.112 8.394 1.00 0.00 H ATOM 15 HE2 MET T 1 73.448 -22.247 9.412 1.00 0.00 H ATOM 16 HE3 MET T 1 71.788 -21.789 9.866 1.00 0.00 H ATOM 17 HN3 MET T 1 76.910 -17.651 8.616 1.00 0.00 H ATOM 18 HN2 MET T 1 77.752 -18.476 7.392 1.00 0.00 H ATOM 19 HN1 MET T 1 77.072 -19.341 8.688 1.00 0.00 H ATOM 20 N ASP T 2 75.155 -16.338 6.935 1.00 0.00 N ATOM 21 CA ASP T 2 74.956 -15.126 6.149 1.00 0.00 C ATOM 22 C ASP T 2 74.044 -15.403 4.958 1.00 0.00 C ATOM 23 O ASP T 2 74.343 -15.010 3.831 1.00 0.00 O ATOM 24 CB ASP T 2 76.304 -14.601 5.651 1.00 0.00 C ATOM 25 CG ASP T 2 77.103 -14.024 6.815 1.00 0.00 C ATOM 26 OD1 ASP T 2 76.513 -13.801 7.860 1.00 0.00 O ATOM 27 OD2 ASP T 2 78.292 -13.814 6.646 1.00 0.00 O ATOM 28 HA ASP T 2 74.486 -14.376 6.785 1.00 0.00 H ATOM 29 HB2 ASP T 2 76.865 -15.419 5.198 1.00 0.00 H ATOM 30 HB3 ASP T 2 76.136 -13.822 4.907 1.00 0.00 H ATOM 31 H ASP T 2 75.020 -16.307 7.966 1.00 0.00 H ATOM 32 N ASP T 3 72.932 -16.084 5.217 1.00 0.00 N ATOM 33 CA ASP T 3 71.982 -16.412 4.159 1.00 0.00 C ATOM 34 C ASP T 3 71.082 -15.218 3.855 1.00 0.00 C ATOM 35 O ASP T 3 70.938 -14.816 2.700 1.00 0.00 O ATOM 36 CB ASP T 3 71.122 -17.605 4.582 1.00 0.00 C ATOM 37 CG ASP T 3 72.001 -18.686 5.202 1.00 0.00 C ATOM 38 OD1 ASP T 3 72.982 -19.056 4.578 1.00 0.00 O ATOM 39 OD2 ASP T 3 71.679 -19.129 6.292 1.00 0.00 O ATOM 40 HA ASP T 3 72.543 -16.667 3.260 1.00 0.00 H ATOM 41 HB2 ASP T 3 70.383 -17.277 5.313 1.00 0.00 H ATOM 42 HB3 ASP T 3 70.612 -18.011 3.708 1.00 0.00 H ATOM 43 H ASP T 3 72.735 -16.389 6.192 1.00 0.00 H ATOM 44 N ILE T 4 70.473 -14.660 4.897 1.00 0.00 N ATOM 45 CA ILE T 4 69.583 -13.516 4.729 1.00 0.00 C ATOM 46 C ILE T 4 70.184 -12.484 3.775 1.00 0.00 C ATOM 47 O ILE T 4 69.481 -11.601 3.284 1.00 0.00 O ATOM 48 CB ILE T 4 69.285 -12.865 6.088 1.00 0.00 C ATOM 49 CG1 ILE T 4 70.531 -12.144 6.638 1.00 0.00 C ATOM 50 CG2 ILE T 4 68.834 -13.938 7.081 1.00 0.00 C ATOM 51 CD1 ILE T 4 71.730 -13.099 6.708 1.00 0.00 C ATOM 52 HA ILE T 4 68.651 -13.879 4.296 1.00 0.00 H ATOM 53 HB ILE T 4 68.493 -12.129 5.952 1.00 0.00 H ATOM 54 HG12 ILE T 4 70.778 -11.308 5.984 1.00 0.00 H ATOM 55 HG13 ILE T 4 70.314 -11.769 7.638 1.00 0.00 H ATOM 56 HD11 ILE T 4 71.489 -13.935 7.365 1.00 0.00 H ATOM 57 HD12 ILE T 4 71.953 -13.473 5.709 1.00 0.00 H ATOM 58 HD13 ILE T 4 72.596 -12.565 7.099 1.00 0.00 H ATOM 59 HG21 ILE T 4 67.933 -14.423 6.705 1.00 0.00 H ATOM 60 HG22 ILE T 4 69.625 -14.678 7.198 1.00 0.00 H ATOM 61 HG23 ILE T 4 68.623 -13.474 8.044 1.00 0.00 H ATOM 62 H ILE T 4 70.634 -15.046 5.849 1.00 0.00 H ATOM 63 N TYR T 5 71.484 -12.601 3.515 1.00 0.00 N ATOM 64 CA TYR T 5 72.166 -11.672 2.616 1.00 0.00 C ATOM 65 C TYR T 5 72.082 -12.166 1.175 1.00 0.00 C ATOM 66 O TYR T 5 71.781 -11.397 0.262 1.00 0.00 O ATOM 67 CB TYR T 5 73.635 -11.535 3.025 1.00 0.00 C ATOM 68 CG TYR T 5 73.731 -10.733 4.304 1.00 0.00 C ATOM 69 CD1 TYR T 5 73.421 -9.368 4.296 1.00 0.00 C ATOM 70 CD2 TYR T 5 74.129 -11.352 5.496 1.00 0.00 C ATOM 71 CE1 TYR T 5 73.508 -8.622 5.478 1.00 0.00 C ATOM 72 CE2 TYR T 5 74.216 -10.606 6.678 1.00 0.00 C ATOM 73 CZ TYR T 5 73.905 -9.241 6.669 1.00 0.00 C ATOM 74 OH TYR T 5 73.990 -8.506 7.833 1.00 0.00 O ATOM 75 HA TYR T 5 71.677 -10.700 2.686 1.00 0.00 H ATOM 76 HB3 TYR T 5 74.186 -11.026 2.235 1.00 0.00 H ATOM 77 HB2 TYR T 5 74.062 -12.525 3.184 1.00 0.00 H ATOM 78 HD2 TYR T 5 74.371 -12.415 5.503 1.00 0.00 H ATOM 79 HE2 TYR T 5 74.526 -11.088 7.605 1.00 0.00 H ATOM 80 HE1 TYR T 5 73.267 -7.559 5.471 1.00 0.00 H ATOM 81 HD1 TYR T 5 73.112 -8.885 3.369 1.00 0.00 H ATOM 82 HH TYR T 5 73.737 -7.567 7.648 1.00 0.00 H ATOM 83 H TYR T 5 72.026 -13.369 3.961 1.00 0.00 H ATOM 84 N LYS T 6 72.352 -13.452 0.980 1.00 0.00 N ATOM 85 CA LYS T 6 72.303 -14.039 -0.355 1.00 0.00 C ATOM 86 C LYS T 6 70.893 -13.942 -0.929 1.00 0.00 C ATOM 87 O LYS T 6 70.705 -13.958 -2.145 1.00 0.00 O ATOM 88 CB LYS T 6 72.733 -15.511 -0.299 1.00 0.00 C ATOM 89 CG LYS T 6 74.145 -15.636 0.306 1.00 0.00 C ATOM 90 CD LYS T 6 75.221 -15.445 -0.780 1.00 0.00 C ATOM 91 CE LYS T 6 75.195 -16.610 -1.790 1.00 0.00 C ATOM 92 NZ LYS T 6 76.582 -16.874 -2.266 1.00 0.00 N ATOM 93 HA LYS T 6 72.987 -13.486 -0.999 1.00 0.00 H ATOM 94 HB2 LYS T 6 72.027 -16.068 0.317 1.00 0.00 H ATOM 95 HB3 LYS T 6 72.737 -15.923 -1.308 1.00 0.00 H ATOM 96 HG2 LYS T 6 74.274 -14.875 1.076 1.00 0.00 H ATOM 97 HG3 LYS T 6 74.257 -16.624 0.752 1.00 0.00 H ATOM 98 HD2 LYS T 6 75.034 -14.510 -1.308 1.00 0.00 H ATOM 99 HD3 LYS T 6 76.202 -15.404 -0.307 1.00 0.00 H ATOM 100 HE2 LYS T 6 74.562 -16.345 -2.637 1.00 0.00 H ATOM 101 HE3 LYS T 6 74.798 -17.503 -1.307 1.00 0.00 H ATOM 102 HZ1 LYS T 6 76.958 -16.020 -2.726 1.00 0.00 H ATOM 103 HZ2 LYS T 6 77.183 -17.126 -1.456 1.00 0.00 H ATOM 104 HZ3 LYS T 6 76.570 -17.659 -2.948 1.00 0.00 H ATOM 105 H LYS T 6 72.603 -14.051 1.793 1.00 0.00 H ATOM 106 N ALA T 7 69.906 -13.842 -0.045 1.00 0.00 N ATOM 107 CA ALA T 7 68.516 -13.744 -0.475 1.00 0.00 C ATOM 108 C ALA T 7 68.307 -12.503 -1.337 1.00 0.00 C ATOM 109 O ALA T 7 67.544 -12.528 -2.303 1.00 0.00 O ATOM 110 CB ALA T 7 67.595 -13.681 0.745 1.00 0.00 C ATOM 111 HA ALA T 7 68.276 -14.628 -1.066 1.00 0.00 H ATOM 112 HB1 ALA T 7 67.724 -14.583 1.343 1.00 0.00 H ATOM 113 HB2 ALA T 7 67.848 -12.807 1.345 1.00 0.00 H ATOM 114 HB3 ALA T 7 66.559 -13.608 0.413 1.00 0.00 H ATOM 115 H ALA T 7 70.129 -13.833 0.971 1.00 0.00 H ATOM 116 N ALA T 8 68.990 -11.420 -0.981 1.00 0.00 N ATOM 117 CA ALA T 8 68.871 -10.174 -1.730 1.00 0.00 C ATOM 118 C ALA T 8 69.693 -10.239 -3.013 1.00 0.00 C ATOM 119 O ALA T 8 69.312 -9.668 -4.035 1.00 0.00 O ATOM 120 CB ALA T 8 69.353 -9.002 -0.873 1.00 0.00 C ATOM 121 HA ALA T 8 67.823 -10.028 -1.990 1.00 0.00 H ATOM 122 HB1 ALA T 8 68.745 -8.939 0.029 1.00 0.00 H ATOM 123 HB2 ALA T 8 70.396 -9.159 -0.599 1.00 0.00 H ATOM 124 HB3 ALA T 8 69.260 -8.076 -1.441 1.00 0.00 H ATOM 125 H ALA T 8 69.620 -11.462 -0.155 1.00 0.00 H ATOM 126 N VAL T 9 70.822 -10.938 -2.953 1.00 0.00 N ATOM 127 CA VAL T 9 71.690 -11.071 -4.117 1.00 0.00 C ATOM 128 C VAL T 9 70.920 -11.654 -5.297 1.00 0.00 C ATOM 129 O VAL T 9 71.243 -11.387 -6.454 1.00 0.00 O ATOM 130 CB VAL T 9 72.877 -11.976 -3.782 1.00 0.00 C ATOM 131 CG1 VAL T 9 73.756 -12.146 -5.023 1.00 0.00 C ATOM 132 CG2 VAL T 9 73.700 -11.341 -2.659 1.00 0.00 C ATOM 133 HA VAL T 9 72.054 -10.081 -4.390 1.00 0.00 H ATOM 134 HB VAL T 9 72.511 -12.951 -3.460 1.00 0.00 H ATOM 135 HG11 VAL T 9 73.169 -12.597 -5.823 1.00 0.00 H ATOM 136 HG12 VAL T 9 74.122 -11.171 -5.344 1.00 0.00 H ATOM 137 HG13 VAL T 9 74.601 -12.791 -4.782 1.00 0.00 H ATOM 138 HG21 VAL T 9 74.065 -10.367 -2.984 1.00 0.00 H ATOM 139 HG22 VAL T 9 73.074 -11.219 -1.775 1.00 0.00 H ATOM 140 HG23 VAL T 9 74.546 -11.986 -2.421 1.00 0.00 H ATOM 141 H VAL T 9 71.091 -11.398 -2.060 1.00 0.00 H ATOM 142 N GLU T 10 69.899 -12.450 -4.996 1.00 0.00 N ATOM 143 CA GLU T 10 69.089 -13.066 -6.041 1.00 0.00 C ATOM 144 C GLU T 10 68.195 -12.026 -6.709 1.00 0.00 C ATOM 145 O GLU T 10 67.755 -12.209 -7.844 1.00 0.00 O ATOM 146 CB GLU T 10 68.224 -14.178 -5.444 1.00 0.00 C ATOM 147 CG GLU T 10 69.120 -15.324 -4.971 1.00 0.00 C ATOM 148 CD GLU T 10 69.678 -16.080 -6.173 1.00 0.00 C ATOM 149 OE1 GLU T 10 68.895 -16.446 -7.033 1.00 0.00 O ATOM 150 OE2 GLU T 10 70.881 -16.281 -6.215 1.00 0.00 O ATOM 151 HA GLU T 10 69.757 -13.489 -6.791 1.00 0.00 H ATOM 152 HB2 GLU T 10 67.660 -13.785 -4.598 1.00 0.00 H ATOM 153 HB3 GLU T 10 67.532 -14.546 -6.201 1.00 0.00 H ATOM 154 HG2 GLU T 10 69.945 -14.919 -4.384 1.00 0.00 H ATOM 155 HG3 GLU T 10 68.537 -16.007 -4.353 1.00 0.00 H ATOM 156 H GLU T 10 69.674 -12.637 -3.998 1.00 0.00 H ATOM 157 N GLN T 11 67.931 -10.935 -5.997 1.00 0.00 N ATOM 158 CA GLN T 11 67.088 -9.872 -6.532 1.00 0.00 C ATOM 159 C GLN T 11 67.873 -9.007 -7.512 1.00 0.00 C ATOM 160 O GLN T 11 67.307 -8.442 -8.448 1.00 0.00 O ATOM 161 CB GLN T 11 66.559 -9.001 -5.390 1.00 0.00 C ATOM 162 CG GLN T 11 65.813 -9.878 -4.383 1.00 0.00 C ATOM 163 CD GLN T 11 65.307 -9.026 -3.224 1.00 0.00 C ATOM 164 OE1 GLN T 11 65.860 -7.961 -2.947 1.00 0.00 O ATOM 165 NE2 GLN T 11 64.283 -9.433 -2.525 1.00 0.00 N ATOM 166 HA GLN T 11 66.250 -10.329 -7.059 1.00 0.00 H ATOM 167 HB2 GLN T 11 67.394 -8.506 -4.893 1.00 0.00 H ATOM 168 HB3 GLN T 11 65.879 -8.249 -5.791 1.00 0.00 H ATOM 169 HG2 GLN T 11 64.967 -10.355 -4.877 1.00 0.00 H ATOM 170 HG3 GLN T 11 66.488 -10.644 -4.001 1.00 0.00 H ATOM 171 HE22 GLN T 11 63.817 -10.333 -2.760 1.00 0.00 H ATOM 172 HE21 GLN T 11 63.933 -8.858 -1.733 1.00 0.00 H ATOM 173 H GLN T 11 68.332 -10.838 -5.042 1.00 0.00 H ATOM 174 N LEU T 12 69.180 -8.907 -7.291 1.00 0.00 N ATOM 175 CA LEU T 12 70.033 -8.108 -8.162 1.00 0.00 C ATOM 176 C LEU T 12 70.200 -8.786 -9.519 1.00 0.00 C ATOM 177 O LEU T 12 70.633 -9.936 -9.600 1.00 0.00 O ATOM 178 CB LEU T 12 71.406 -7.911 -7.512 1.00 0.00 C ATOM 179 CG LEU T 12 71.229 -7.617 -6.021 1.00 0.00 C ATOM 180 CD1 LEU T 12 72.592 -7.310 -5.397 1.00 0.00 C ATOM 181 CD2 LEU T 12 70.302 -6.411 -5.842 1.00 0.00 C ATOM 182 HA LEU T 12 69.560 -7.137 -8.311 1.00 0.00 H ATOM 183 HB2 LEU T 12 72.000 -8.817 -7.636 1.00 0.00 H ATOM 184 HB3 LEU T 12 71.917 -7.075 -7.989 1.00 0.00 H ATOM 185 HG LEU T 12 70.791 -8.486 -5.530 1.00 0.00 H ATOM 186 HD21 LEU T 12 70.739 -5.542 -6.334 1.00 0.00 H ATOM 187 HD22 LEU T 12 69.331 -6.631 -6.286 1.00 0.00 H ATOM 188 HD23 LEU T 12 70.178 -6.204 -4.779 1.00 0.00 H ATOM 189 HD11 LEU T 12 73.250 -8.170 -5.523 1.00 0.00 H ATOM 190 HD12 LEU T 12 73.029 -6.442 -5.890 1.00 0.00 H ATOM 191 HD13 LEU T 12 72.465 -7.101 -4.335 1.00 0.00 H ATOM 192 H LEU T 12 69.601 -9.408 -6.483 1.00 0.00 H ATOM 193 N THR T 13 69.852 -8.067 -10.581 1.00 0.00 N ATOM 194 CA THR T 13 69.967 -8.609 -11.930 1.00 0.00 C ATOM 195 C THR T 13 71.430 -8.633 -12.372 1.00 0.00 C ATOM 196 O THR T 13 72.293 -9.142 -11.657 1.00 0.00 O ATOM 197 CB THR T 13 69.134 -7.761 -12.902 1.00 0.00 C ATOM 198 OG1 THR T 13 67.904 -7.413 -12.282 1.00 0.00 O ATOM 199 CG2 THR T 13 68.852 -8.554 -14.183 1.00 0.00 C ATOM 200 HA THR T 13 69.589 -9.631 -11.933 1.00 0.00 H ATOM 201 HB THR T 13 69.689 -6.858 -13.158 1.00 0.00 H ATOM 202 HG1 THR T 13 67.364 -6.866 -12.906 1.00 0.00 H ATOM 203 HG23 THR T 13 69.796 -8.821 -14.659 1.00 0.00 H ATOM 204 HG21 THR T 13 68.300 -9.460 -13.934 1.00 0.00 H ATOM 205 HG22 THR T 13 68.260 -7.943 -14.864 1.00 0.00 H ATOM 206 H THR T 13 69.491 -7.101 -10.448 1.00 0.00 H ATOM 207 N GLU T 14 71.705 -8.079 -13.554 1.00 0.00 N ATOM 208 CA GLU T 14 73.069 -8.039 -14.088 1.00 0.00 C ATOM 209 C GLU T 14 73.399 -6.638 -14.590 1.00 0.00 C ATOM 210 O GLU T 14 74.568 -6.281 -14.739 1.00 0.00 O ATOM 211 CB GLU T 14 73.207 -9.039 -15.237 1.00 0.00 C ATOM 212 CG GLU T 14 73.213 -10.463 -14.678 1.00 0.00 C ATOM 213 CD GLU T 14 73.309 -11.471 -15.819 1.00 0.00 C ATOM 214 OE1 GLU T 14 73.825 -11.106 -16.863 1.00 0.00 O ATOM 215 OE2 GLU T 14 72.866 -12.592 -15.632 1.00 0.00 O ATOM 216 HA GLU T 14 73.764 -8.304 -13.291 1.00 0.00 H ATOM 217 HB2 GLU T 14 72.368 -8.922 -15.923 1.00 0.00 H ATOM 218 HB3 GLU T 14 74.140 -8.854 -15.770 1.00 0.00 H ATOM 219 HG2 GLU T 14 74.068 -10.587 -14.014 1.00 0.00 H ATOM 220 HG3 GLU T 14 72.293 -10.636 -14.120 1.00 0.00 H ATOM 221 H GLU T 14 70.931 -7.665 -14.111 1.00 0.00 H ATOM 222 N GLU T 15 72.362 -5.848 -14.847 1.00 0.00 N ATOM 223 CA GLU T 15 72.554 -4.486 -15.330 1.00 0.00 C ATOM 224 C GLU T 15 73.093 -3.596 -14.214 1.00 0.00 C ATOM 225 O GLU T 15 73.950 -2.744 -14.447 1.00 0.00 O ATOM 226 CB GLU T 15 71.227 -3.919 -15.840 1.00 0.00 C ATOM 227 CG GLU T 15 70.524 -4.965 -16.708 1.00 0.00 C ATOM 228 CD GLU T 15 69.255 -4.373 -17.312 1.00 0.00 C ATOM 229 OE1 GLU T 15 68.833 -3.327 -16.846 1.00 0.00 O ATOM 230 OE2 GLU T 15 68.724 -4.974 -18.231 1.00 0.00 O ATOM 231 HA GLU T 15 73.276 -4.508 -16.146 1.00 0.00 H ATOM 232 HB2 GLU T 15 70.591 -3.663 -14.992 1.00 0.00 H ATOM 233 HB3 GLU T 15 71.418 -3.024 -16.432 1.00 0.00 H ATOM 234 HG2 GLU T 15 71.193 -5.279 -17.509 1.00 0.00 H ATOM 235 HG3 GLU T 15 70.264 -5.828 -16.095 1.00 0.00 H ATOM 236 H GLU T 15 71.397 -6.207 -14.701 1.00 0.00 H ATOM 237 N GLN T 16 72.587 -3.803 -13.003 1.00 0.00 N ATOM 238 CA GLN T 16 73.027 -3.014 -11.857 1.00 0.00 C ATOM 239 C GLN T 16 74.367 -3.527 -11.339 1.00 0.00 C ATOM 240 O GLN T 16 75.030 -2.863 -10.542 1.00 0.00 O ATOM 241 CB GLN T 16 71.980 -3.082 -10.739 1.00 0.00 C ATOM 242 CG GLN T 16 71.747 -4.542 -10.327 1.00 0.00 C ATOM 243 CD GLN T 16 72.862 -5.012 -9.397 1.00 0.00 C ATOM 244 OE1 GLN T 16 73.708 -5.812 -9.795 1.00 0.00 O ATOM 245 NE2 GLN T 16 72.912 -4.560 -8.174 1.00 0.00 N ATOM 246 HA GLN T 16 73.146 -1.978 -12.176 1.00 0.00 H ATOM 247 HB2 GLN T 16 72.334 -2.515 -9.878 1.00 0.00 H ATOM 248 HB3 GLN T 16 71.043 -2.653 -11.095 1.00 0.00 H ATOM 249 HG2 GLN T 16 70.790 -4.623 -9.812 1.00 0.00 H ATOM 250 HG3 GLN T 16 71.732 -5.170 -11.218 1.00 0.00 H ATOM 251 HE22 GLN T 16 72.196 -3.884 -7.840 1.00 0.00 H ATOM 252 HE21 GLN T 16 73.668 -4.876 -7.533 1.00 0.00 H ATOM 253 H GLN T 16 71.865 -4.540 -12.870 1.00 0.00 H ATOM 254 N LYS T 17 74.759 -4.711 -11.797 1.00 0.00 N ATOM 255 CA LYS T 17 76.022 -5.304 -11.375 1.00 0.00 C ATOM 256 C LYS T 17 77.197 -4.598 -12.045 1.00 0.00 C ATOM 257 O LYS T 17 78.164 -4.218 -11.384 1.00 0.00 O ATOM 258 CB LYS T 17 76.045 -6.790 -11.735 1.00 0.00 C ATOM 259 CG LYS T 17 77.197 -7.478 -11.001 1.00 0.00 C ATOM 260 CD LYS T 17 77.175 -8.977 -11.309 1.00 0.00 C ATOM 261 CE LYS T 17 78.081 -9.715 -10.322 1.00 0.00 C ATOM 262 NZ LYS T 17 78.297 -11.112 -10.796 1.00 0.00 N ATOM 263 HA LYS T 17 76.113 -5.189 -10.295 1.00 0.00 H ATOM 264 HB2 LYS T 17 75.101 -7.249 -11.441 1.00 0.00 H ATOM 265 HB3 LYS T 17 76.182 -6.901 -12.811 1.00 0.00 H ATOM 266 HG2 LYS T 17 78.145 -7.053 -11.332 1.00 0.00 H ATOM 267 HG3 LYS T 17 77.087 -7.326 -9.927 1.00 0.00 H ATOM 268 HD2 LYS T 17 76.156 -9.352 -11.217 1.00 0.00 H ATOM 269 HD3 LYS T 17 77.532 -9.144 -12.325 1.00 0.00 H ATOM 270 HE2 LYS T 17 77.610 -9.733 -9.339 1.00 0.00 H ATOM 271 HE3 LYS T 17 79.040 -9.201 -10.254 1.00 0.00 H ATOM 272 HZ1 LYS T 17 77.381 -11.601 -10.859 1.00 0.00 H ATOM 273 HZ2 LYS T 17 78.747 -11.093 -11.733 1.00 0.00 H ATOM 274 HZ3 LYS T 17 78.913 -11.613 -10.125 1.00 0.00 H ATOM 275 H LYS T 17 74.154 -5.224 -12.469 1.00 0.00 H ATOM 276 N ASN T 18 77.106 -4.426 -13.360 1.00 0.00 N ATOM 277 CA ASN T 18 78.169 -3.764 -14.108 1.00 0.00 C ATOM 278 C ASN T 18 78.390 -2.348 -13.587 1.00 0.00 C ATOM 279 O ASN T 18 79.422 -1.732 -13.854 1.00 0.00 O ATOM 280 CB ASN T 18 77.809 -3.713 -15.594 1.00 0.00 C ATOM 281 CG ASN T 18 77.694 -5.128 -16.152 1.00 0.00 C ATOM 282 OD1 ASN T 18 78.703 -5.752 -16.478 1.00 0.00 O ATOM 283 ND2 ASN T 18 76.516 -5.674 -16.281 1.00 0.00 N ATOM 284 HA ASN T 18 79.089 -4.334 -13.977 1.00 0.00 H ATOM 285 HB2 ASN T 18 76.857 -3.197 -15.717 1.00 0.00 H ATOM 286 HB3 ASN T 18 78.586 -3.173 -16.136 1.00 0.00 H ATOM 287 HD22 ASN T 18 75.664 -5.145 -16.005 1.00 0.00 H ATOM 288 HD21 ASN T 18 76.429 -6.639 -16.660 1.00 0.00 H ATOM 289 H ASN T 18 76.263 -4.769 -13.864 1.00 0.00 H ATOM 290 N GLU T 19 77.414 -1.837 -12.843 1.00 0.00 N ATOM 291 CA GLU T 19 77.514 -0.492 -12.289 1.00 0.00 C ATOM 292 C GLU T 19 78.506 -0.463 -11.131 1.00 0.00 C ATOM 293 O GLU T 19 79.319 0.455 -11.021 1.00 0.00 O ATOM 294 CB GLU T 19 76.142 -0.024 -11.800 1.00 0.00 C ATOM 295 CG GLU T 19 75.150 -0.045 -12.965 1.00 0.00 C ATOM 296 CD GLU T 19 75.481 1.067 -13.953 1.00 0.00 C ATOM 297 OE1 GLU T 19 76.266 0.818 -14.854 1.00 0.00 O ATOM 298 OE2 GLU T 19 74.946 2.152 -13.795 1.00 0.00 O ATOM 299 HA GLU T 19 77.867 0.178 -13.073 1.00 0.00 H ATOM 300 HB2 GLU T 19 75.791 -0.689 -11.011 1.00 0.00 H ATOM 301 HB3 GLU T 19 76.222 0.990 -11.409 1.00 0.00 H ATOM 302 HG2 GLU T 19 75.209 -1.008 -13.472 1.00 0.00 H ATOM 303 HG3 GLU T 19 74.140 0.101 -12.582 1.00 0.00 H ATOM 304 H GLU T 19 76.565 -2.406 -12.653 1.00 0.00 H ATOM 305 N PHE T 20 78.434 -1.473 -10.271 1.00 0.00 N ATOM 306 CA PHE T 20 79.332 -1.553 -9.125 1.00 0.00 C ATOM 307 C PHE T 20 80.729 -1.976 -9.569 1.00 0.00 C ATOM 308 O PHE T 20 81.710 -1.282 -9.304 1.00 0.00 O ATOM 309 CB PHE T 20 78.792 -2.556 -8.104 1.00 0.00 C ATOM 310 CG PHE T 20 77.504 -2.029 -7.515 1.00 0.00 C ATOM 311 CD1 PHE T 20 77.536 -0.975 -6.595 1.00 0.00 C ATOM 312 CD2 PHE T 20 76.277 -2.594 -7.888 1.00 0.00 C ATOM 313 CE1 PHE T 20 76.344 -0.485 -6.048 1.00 0.00 C ATOM 314 CE2 PHE T 20 75.085 -2.104 -7.342 1.00 0.00 C ATOM 315 CZ PHE T 20 75.119 -1.049 -6.422 1.00 0.00 C ATOM 316 HA PHE T 20 79.392 -0.567 -8.665 1.00 0.00 H ATOM 317 HB2 PHE T 20 78.604 -3.510 -8.596 1.00 0.00 H ATOM 318 HB3 PHE T 20 79.525 -2.697 -7.309 1.00 0.00 H ATOM 319 HD2 PHE T 20 76.251 -3.416 -8.604 1.00 0.00 H ATOM 320 HE2 PHE T 20 74.131 -2.543 -7.633 1.00 0.00 H ATOM 321 HZ PHE T 20 74.191 -0.667 -5.997 1.00 0.00 H ATOM 322 HE1 PHE T 20 76.370 0.336 -5.331 1.00 0.00 H ATOM 323 HD1 PHE T 20 78.490 -0.535 -6.304 1.00 0.00 H ATOM 324 H PHE T 20 77.725 -2.220 -10.418 1.00 0.00 H ATOM 325 N LYS T 21 80.810 -3.118 -10.246 1.00 0.00 N ATOM 326 CA LYS T 21 82.093 -3.625 -10.722 1.00 0.00 C ATOM 327 C LYS T 21 82.913 -2.506 -11.358 1.00 0.00 C ATOM 328 O LYS T 21 84.136 -2.466 -11.221 1.00 0.00 O ATOM 329 CB LYS T 21 81.867 -4.740 -11.746 1.00 0.00 C ATOM 330 CG LYS T 21 81.144 -5.912 -11.076 1.00 0.00 C ATOM 331 CD LYS T 21 81.251 -7.157 -11.962 1.00 0.00 C ATOM 332 CE LYS T 21 80.517 -6.912 -13.283 1.00 0.00 C ATOM 333 NZ LYS T 21 80.289 -8.214 -13.972 1.00 0.00 N ATOM 334 HA LYS T 21 82.643 -4.021 -9.868 1.00 0.00 H ATOM 335 HB2 LYS T 21 81.260 -4.361 -12.568 1.00 0.00 H ATOM 336 HB3 LYS T 21 82.828 -5.079 -12.132 1.00 0.00 H ATOM 337 HG2 LYS T 21 81.602 -6.115 -10.108 1.00 0.00 H ATOM 338 HG3 LYS T 21 80.094 -5.657 -10.934 1.00 0.00 H ATOM 339 HD2 LYS T 21 82.301 -7.370 -12.164 1.00 0.00 H ATOM 340 HD3 LYS T 21 80.801 -8.007 -11.449 1.00 0.00 H ATOM 341 HE2 LYS T 21 81.120 -6.264 -13.919 1.00 0.00 H ATOM 342 HE3 LYS T 21 79.558 -6.433 -13.083 1.00 0.00 H ATOM 343 HZ1 LYS T 21 81.205 -8.669 -14.162 1.00 0.00 H ATOM 344 HZ2 LYS T 21 79.714 -8.831 -13.364 1.00 0.00 H ATOM 345 HZ3 LYS T 21 79.790 -8.047 -14.869 1.00 0.00 H ATOM 346 H LYS T 21 79.943 -3.659 -10.440 1.00 0.00 H ATOM 347 N ALA T 22 82.233 -1.599 -12.051 1.00 0.00 N ATOM 348 CA ALA T 22 82.911 -0.484 -12.701 1.00 0.00 C ATOM 349 C ALA T 22 83.530 0.444 -11.660 1.00 0.00 C ATOM 350 O ALA T 22 84.550 1.085 -11.914 1.00 0.00 O ATOM 351 CB ALA T 22 81.921 0.301 -13.563 1.00 0.00 C ATOM 352 HA ALA T 22 83.703 -0.884 -13.334 1.00 0.00 H ATOM 353 HB1 ALA T 22 81.502 -0.357 -14.324 1.00 0.00 H ATOM 354 HB2 ALA T 22 81.119 0.687 -12.933 1.00 0.00 H ATOM 355 HB3 ALA T 22 82.438 1.131 -14.044 1.00 0.00 H ATOM 356 H ALA T 22 81.200 -1.686 -12.131 1.00 0.00 H ATOM 357 N ALA T 23 82.906 0.510 -10.489 1.00 0.00 N ATOM 358 CA ALA T 23 83.404 1.362 -9.416 1.00 0.00 C ATOM 359 C ALA T 23 84.739 0.842 -8.893 1.00 0.00 C ATOM 360 O ALA T 23 85.702 1.598 -8.764 1.00 0.00 O ATOM 361 CB ALA T 23 82.389 1.411 -8.273 1.00 0.00 C ATOM 362 HA ALA T 23 83.550 2.366 -9.814 1.00 0.00 H ATOM 363 HB1 ALA T 23 81.446 1.814 -8.643 1.00 0.00 H ATOM 364 HB2 ALA T 23 82.229 0.404 -7.887 1.00 0.00 H ATOM 365 HB3 ALA T 23 82.771 2.050 -7.477 1.00 0.00 H ATOM 366 H ALA T 23 82.047 -0.056 -10.335 1.00 0.00 H ATOM 367 N PHE T 24 84.790 -0.453 -8.594 1.00 0.00 N ATOM 368 CA PHE T 24 86.016 -1.062 -8.086 1.00 0.00 C ATOM 369 C PHE T 24 87.218 -0.609 -8.910 1.00 0.00 C ATOM 370 O PHE T 24 88.203 -0.111 -8.365 1.00 0.00 O ATOM 371 CB PHE T 24 85.905 -2.591 -8.137 1.00 0.00 C ATOM 372 CG PHE T 24 85.010 -3.075 -7.020 1.00 0.00 C ATOM 373 CD1 PHE T 24 83.619 -3.024 -7.165 1.00 0.00 C ATOM 374 CD2 PHE T 24 85.573 -3.575 -5.839 1.00 0.00 C ATOM 375 CE1 PHE T 24 82.790 -3.472 -6.130 1.00 0.00 C ATOM 376 CE2 PHE T 24 84.744 -4.024 -4.804 1.00 0.00 C ATOM 377 CZ PHE T 24 83.353 -3.972 -4.950 1.00 0.00 C ATOM 378 HA PHE T 24 86.156 -0.745 -7.053 1.00 0.00 H ATOM 379 HB2 PHE T 24 85.483 -2.892 -9.096 1.00 0.00 H ATOM 380 HB3 PHE T 24 86.896 -3.030 -8.024 1.00 0.00 H ATOM 381 HD2 PHE T 24 86.656 -3.615 -5.726 1.00 0.00 H ATOM 382 HE2 PHE T 24 85.182 -4.414 -3.885 1.00 0.00 H ATOM 383 HZ PHE T 24 82.707 -4.321 -4.144 1.00 0.00 H ATOM 384 HE1 PHE T 24 81.707 -3.432 -6.243 1.00 0.00 H ATOM 385 HD1 PHE T 24 83.181 -2.635 -8.084 1.00 0.00 H ATOM 386 H PHE T 24 83.943 -1.042 -8.724 1.00 0.00 H ATOM 387 N ASP T 25 87.129 -0.782 -10.225 1.00 0.00 N ATOM 388 CA ASP T 25 88.216 -0.386 -11.115 1.00 0.00 C ATOM 389 C ASP T 25 88.772 0.977 -10.712 1.00 0.00 C ATOM 390 O ASP T 25 89.987 1.169 -10.649 1.00 0.00 O ATOM 391 CB ASP T 25 87.713 -0.327 -12.558 1.00 0.00 C ATOM 392 CG ASP T 25 86.882 -1.567 -12.871 1.00 0.00 C ATOM 393 OD1 ASP T 25 87.141 -2.597 -12.272 1.00 0.00 O ATOM 394 OD2 ASP T 25 85.998 -1.467 -13.706 1.00 0.00 O ATOM 395 HA ASP T 25 89.012 -1.127 -11.037 1.00 0.00 H ATOM 396 HB2 ASP T 25 87.098 0.563 -12.690 1.00 0.00 H ATOM 397 HB3 ASP T 25 88.565 -0.282 -13.236 1.00 0.00 H ATOM 398 H ASP T 25 86.269 -1.207 -10.627 1.00 0.00 H ATOM 399 N ILE T 26 87.876 1.919 -10.438 1.00 0.00 N ATOM 400 CA ILE T 26 88.289 3.260 -10.040 1.00 0.00 C ATOM 401 C ILE T 26 89.048 3.217 -8.717 1.00 0.00 C ATOM 402 O ILE T 26 90.153 3.748 -8.607 1.00 0.00 O ATOM 403 CB ILE T 26 87.061 4.165 -9.897 1.00 0.00 C ATOM 404 CG1 ILE T 26 86.105 3.933 -11.075 1.00 0.00 C ATOM 405 CG2 ILE T 26 87.502 5.631 -9.876 1.00 0.00 C ATOM 406 CD1 ILE T 26 86.868 4.038 -12.399 1.00 0.00 C ATOM 407 HA ILE T 26 88.947 3.660 -10.811 1.00 0.00 H ATOM 408 HB ILE T 26 86.548 3.928 -8.965 1.00 0.00 H ATOM 409 HG12 ILE T 26 85.663 2.940 -10.991 1.00 0.00 H ATOM 410 HG13 ILE T 26 85.316 4.684 -11.053 1.00 0.00 H ATOM 411 HD11 ILE T 26 87.309 5.031 -12.485 1.00 0.00 H ATOM 412 HD12 ILE T 26 87.656 3.286 -12.423 1.00 0.00 H ATOM 413 HD13 ILE T 26 86.180 3.872 -13.228 1.00 0.00 H ATOM 414 HG21 ILE T 26 88.173 5.795 -9.033 1.00 0.00 H ATOM 415 HG22 ILE T 26 88.020 5.867 -10.806 1.00 0.00 H ATOM 416 HG23 ILE T 26 86.626 6.271 -9.774 1.00 0.00 H ATOM 417 H ILE T 26 86.863 1.696 -10.509 1.00 0.00 H ATOM 418 N PHE T 27 88.447 2.582 -7.716 1.00 0.00 N ATOM 419 CA PHE T 27 89.074 2.477 -6.403 1.00 0.00 C ATOM 420 C PHE T 27 90.403 1.732 -6.498 1.00 0.00 C ATOM 421 O PHE T 27 91.258 1.855 -5.621 1.00 0.00 O ATOM 422 CB PHE T 27 88.144 1.739 -5.436 1.00 0.00 C ATOM 423 CG PHE T 27 86.986 2.633 -5.057 1.00 0.00 C ATOM 424 CD1 PHE T 27 87.173 3.661 -4.126 1.00 0.00 C ATOM 425 CD2 PHE T 27 85.725 2.431 -5.633 1.00 0.00 C ATOM 426 CE1 PHE T 27 86.101 4.488 -3.771 1.00 0.00 C ATOM 427 CE2 PHE T 27 84.653 3.259 -5.278 1.00 0.00 C ATOM 428 CZ PHE T 27 84.841 4.287 -4.347 1.00 0.00 C ATOM 429 HA PHE T 27 89.261 3.485 -6.032 1.00 0.00 H ATOM 430 HB2 PHE T 27 87.764 0.838 -5.916 1.00 0.00 H ATOM 431 HB3 PHE T 27 88.699 1.465 -4.539 1.00 0.00 H ATOM 432 HD2 PHE T 27 85.578 1.630 -6.357 1.00 0.00 H ATOM 433 HE2 PHE T 27 83.672 3.103 -5.727 1.00 0.00 H ATOM 434 HZ PHE T 27 84.006 4.931 -4.070 1.00 0.00 H ATOM 435 HE1 PHE T 27 86.247 5.289 -3.046 1.00 0.00 H ATOM 436 HD1 PHE T 27 88.154 3.818 -3.677 1.00 0.00 H ATOM 437 H PHE T 27 87.513 2.152 -7.872 1.00 0.00 H ATOM 438 N VAL T 28 90.571 0.958 -7.568 1.00 0.00 N ATOM 439 CA VAL T 28 91.801 0.192 -7.770 1.00 0.00 C ATOM 440 C VAL T 28 92.082 0.019 -9.261 1.00 0.00 C ATOM 441 O VAL T 28 91.930 -1.072 -9.809 1.00 0.00 O ATOM 442 CB VAL T 28 91.674 -1.185 -7.106 1.00 0.00 C ATOM 443 CG1 VAL T 28 91.826 -1.044 -5.589 1.00 0.00 C ATOM 444 CG2 VAL T 28 90.298 -1.779 -7.423 1.00 0.00 C ATOM 445 HA VAL T 28 92.629 0.737 -7.316 1.00 0.00 H ATOM 446 HB VAL T 28 92.455 -1.842 -7.489 1.00 0.00 H ATOM 447 HG11 VAL T 28 92.805 -0.622 -5.361 1.00 0.00 H ATOM 448 HG12 VAL T 28 91.046 -0.385 -5.207 1.00 0.00 H ATOM 449 HG13 VAL T 28 91.735 -2.025 -5.123 1.00 0.00 H ATOM 450 HG21 VAL T 28 89.521 -1.117 -7.040 1.00 0.00 H ATOM 451 HG22 VAL T 28 90.189 -1.884 -8.502 1.00 0.00 H ATOM 452 HG23 VAL T 28 90.208 -2.757 -6.951 1.00 0.00 H ATOM 453 H VAL T 28 89.811 0.897 -8.276 1.00 0.00 H ATOM 454 N LEU T 29 92.494 1.107 -9.911 1.00 0.00 N ATOM 455 CA LEU T 29 92.797 1.075 -11.343 1.00 0.00 C ATOM 456 C LEU T 29 94.296 0.878 -11.571 1.00 0.00 C ATOM 457 O LEU T 29 94.822 1.225 -12.629 1.00 0.00 O ATOM 458 CB LEU T 29 92.334 2.386 -12.003 1.00 0.00 C ATOM 459 CG LEU T 29 92.543 3.558 -11.038 1.00 0.00 C ATOM 460 CD1 LEU T 29 94.006 3.608 -10.589 1.00 0.00 C ATOM 461 CD2 LEU T 29 92.182 4.865 -11.748 1.00 0.00 C ATOM 462 HA LEU T 29 92.265 0.237 -11.793 1.00 0.00 H ATOM 463 HB2 LEU T 29 92.912 2.558 -12.911 1.00 0.00 H ATOM 464 HB3 LEU T 29 91.276 2.310 -12.256 1.00 0.00 H ATOM 465 HG LEU T 29 91.906 3.425 -10.164 1.00 0.00 H ATOM 466 HD21 LEU T 29 92.822 4.991 -12.622 1.00 0.00 H ATOM 467 HD22 LEU T 29 91.139 4.830 -12.062 1.00 0.00 H ATOM 468 HD23 LEU T 29 92.329 5.701 -11.064 1.00 0.00 H ATOM 469 HD11 LEU T 29 94.262 2.676 -10.085 1.00 0.00 H ATOM 470 HD12 LEU T 29 94.648 3.740 -11.460 1.00 0.00 H ATOM 471 HD13 LEU T 29 94.146 4.444 -9.903 1.00 0.00 H ATOM 472 H LEU T 29 92.603 2.000 -9.389 1.00 0.00 H ATOM 473 N GLY T 30 94.980 0.321 -10.575 1.00 0.00 N ATOM 474 CA GLY T 30 96.416 0.091 -10.690 1.00 0.00 C ATOM 475 C GLY T 30 96.933 -0.775 -9.545 1.00 0.00 C ATOM 476 O GLY T 30 98.133 -1.024 -9.439 1.00 0.00 O ATOM 477 HA3 GLY T 30 96.932 1.051 -10.671 1.00 0.00 H ATOM 478 HA2 GLY T 30 96.621 -0.411 -11.636 1.00 0.00 H ATOM 479 H GLY T 30 94.484 0.046 -9.703 1.00 0.00 H ATOM 480 N ALA T 31 96.023 -1.230 -8.689 1.00 0.00 N ATOM 481 CA ALA T 31 96.409 -2.067 -7.557 1.00 0.00 C ATOM 482 C ALA T 31 96.660 -3.502 -8.011 1.00 0.00 C ATOM 483 O ALA T 31 96.168 -3.927 -9.057 1.00 0.00 O ATOM 484 CB ALA T 31 95.308 -2.048 -6.493 1.00 0.00 C ATOM 485 HA ALA T 31 97.330 -1.668 -7.132 1.00 0.00 H ATOM 486 HB1 ALA T 31 95.155 -1.025 -6.148 1.00 0.00 H ATOM 487 HB2 ALA T 31 94.382 -2.430 -6.923 1.00 0.00 H ATOM 488 HB3 ALA T 31 95.606 -2.675 -5.653 1.00 0.00 H ATOM 489 H ALA T 31 95.022 -0.986 -8.828 1.00 0.00 H ATOM 490 N GLU T 32 97.427 -4.243 -7.219 1.00 0.00 N ATOM 491 CA GLU T 32 97.736 -5.630 -7.550 1.00 0.00 C ATOM 492 C GLU T 32 96.453 -6.433 -7.734 1.00 0.00 C ATOM 493 O GLU T 32 95.988 -6.631 -8.857 1.00 0.00 O ATOM 494 CB GLU T 32 98.579 -6.258 -6.439 1.00 0.00 C ATOM 495 CG GLU T 32 99.997 -5.685 -6.484 1.00 0.00 C ATOM 496 CD GLU T 32 100.873 -6.380 -5.448 1.00 0.00 C ATOM 497 OE1 GLU T 32 100.413 -7.348 -4.865 1.00 0.00 O ATOM 498 OE2 GLU T 32 101.992 -5.934 -5.252 1.00 0.00 O ATOM 499 HA GLU T 32 98.299 -5.645 -8.483 1.00 0.00 H ATOM 500 HB2 GLU T 32 98.128 -6.036 -5.472 1.00 0.00 H ATOM 501 HB3 GLU T 32 98.619 -7.338 -6.580 1.00 0.00 H ATOM 502 HG2 GLU T 32 100.419 -5.841 -7.477 1.00 0.00 H ATOM 503 HG3 GLU T 32 99.962 -4.617 -6.270 1.00 0.00 H ATOM 504 H GLU T 32 97.814 -3.827 -6.348 1.00 0.00 H ATOM 505 N ASP T 33 95.886 -6.895 -6.624 1.00 0.00 N ATOM 506 CA ASP T 33 94.655 -7.676 -6.674 1.00 0.00 C ATOM 507 C ASP T 33 93.449 -6.761 -6.863 1.00 0.00 C ATOM 508 O ASP T 33 92.819 -6.760 -7.920 1.00 0.00 O ATOM 509 CB ASP T 33 94.494 -8.480 -5.382 1.00 0.00 C ATOM 510 CG ASP T 33 94.760 -7.586 -4.175 1.00 0.00 C ATOM 511 OD1 ASP T 33 95.843 -7.029 -4.103 1.00 0.00 O ATOM 512 OD2 ASP T 33 93.877 -7.472 -3.341 1.00 0.00 O ATOM 513 HA ASP T 33 94.713 -8.360 -7.521 1.00 0.00 H ATOM 514 HB2 ASP T 33 93.479 -8.872 -5.325 1.00 0.00 H ATOM 515 HB3 ASP T 33 95.202 -9.308 -5.381 1.00 0.00 H ATOM 516 H ASP T 33 96.328 -6.696 -5.704 1.00 0.00 H ATOM 517 N GLY T 34 93.134 -5.985 -5.830 1.00 0.00 N ATOM 518 CA GLY T 34 92.000 -5.068 -5.893 1.00 0.00 C ATOM 519 C GLY T 34 91.529 -4.688 -4.494 1.00 0.00 C ATOM 520 O GLY T 34 90.347 -4.422 -4.277 1.00 0.00 O ATOM 521 HA3 GLY T 34 91.181 -5.549 -6.427 1.00 0.00 H ATOM 522 HA2 GLY T 34 92.299 -4.166 -6.426 1.00 0.00 H ATOM 523 H GLY T 34 93.705 -6.032 -4.962 1.00 0.00 H ATOM 524 N SER T 35 92.462 -4.663 -3.546 1.00 0.00 N ATOM 525 CA SER T 35 92.131 -4.313 -2.168 1.00 0.00 C ATOM 526 C SER T 35 92.047 -2.799 -2.007 1.00 0.00 C ATOM 527 O SER T 35 93.026 -2.086 -2.228 1.00 0.00 O ATOM 528 CB SER T 35 93.191 -4.871 -1.219 1.00 0.00 C ATOM 529 OG SER T 35 94.393 -4.126 -1.367 1.00 0.00 O ATOM 530 HA SER T 35 91.162 -4.748 -1.924 1.00 0.00 H ATOM 531 HB2 SER T 35 93.379 -5.918 -1.458 1.00 0.00 H ATOM 532 HB3 SER T 35 92.838 -4.792 -0.191 1.00 0.00 H ATOM 533 HG SER T 35 94.220 -3.176 -1.150 1.00 0.00 H ATOM 534 H SER T 35 93.445 -4.897 -3.791 1.00 0.00 H ATOM 535 N ILE T 36 90.870 -2.315 -1.622 1.00 0.00 N ATOM 536 CA ILE T 36 90.663 -0.881 -1.435 1.00 0.00 C ATOM 537 C ILE T 36 91.127 -0.449 -0.048 1.00 0.00 C ATOM 538 O ILE T 36 91.159 -1.253 0.884 1.00 0.00 O ATOM 539 CB ILE T 36 89.180 -0.541 -1.611 1.00 0.00 C ATOM 540 CG1 ILE T 36 88.671 -1.149 -2.924 1.00 0.00 C ATOM 541 CG2 ILE T 36 89.010 0.981 -1.646 1.00 0.00 C ATOM 542 CD1 ILE T 36 87.161 -0.929 -3.046 1.00 0.00 C ATOM 543 HA ILE T 36 91.249 -0.347 -2.183 1.00 0.00 H ATOM 544 HB ILE T 36 88.607 -0.950 -0.778 1.00 0.00 H ATOM 545 HG12 ILE T 36 89.176 -0.671 -3.764 1.00 0.00 H ATOM 546 HG13 ILE T 36 88.883 -2.218 -2.934 1.00 0.00 H ATOM 547 HD11 ILE T 36 86.656 -1.408 -2.207 1.00 0.00 H ATOM 548 HD12 ILE T 36 86.949 0.140 -3.037 1.00 0.00 H ATOM 549 HD13 ILE T 36 86.806 -1.363 -3.981 1.00 0.00 H ATOM 550 HG21 ILE T 36 89.374 1.408 -0.711 1.00 0.00 H ATOM 551 HG22 ILE T 36 89.580 1.390 -2.480 1.00 0.00 H ATOM 552 HG23 ILE T 36 87.955 1.225 -1.771 1.00 0.00 H ATOM 553 H ILE T 36 90.081 -2.970 -1.451 1.00 0.00 H ATOM 554 N SER T 37 91.485 0.825 0.082 1.00 0.00 N ATOM 555 CA SER T 37 91.947 1.356 1.360 1.00 0.00 C ATOM 556 C SER T 37 91.762 2.870 1.409 1.00 0.00 C ATOM 557 O SER T 37 91.513 3.507 0.386 1.00 0.00 O ATOM 558 CB SER T 37 93.423 1.015 1.565 1.00 0.00 C ATOM 559 OG SER T 37 93.815 1.392 2.878 1.00 0.00 O ATOM 560 HA SER T 37 91.356 0.902 2.155 1.00 0.00 H ATOM 561 HB2 SER T 37 94.026 1.555 0.835 1.00 0.00 H ATOM 562 HB3 SER T 37 93.571 -0.057 1.434 1.00 0.00 H ATOM 563 HG SER T 37 94.771 1.172 3.012 1.00 0.00 H ATOM 564 H SER T 37 91.435 1.455 -0.744 1.00 0.00 H ATOM 565 N THR T 38 91.886 3.437 2.604 1.00 0.00 N ATOM 566 CA THR T 38 91.729 4.878 2.778 1.00 0.00 C ATOM 567 C THR T 38 92.615 5.641 1.798 1.00 0.00 C ATOM 568 O THR T 38 92.513 6.862 1.677 1.00 0.00 O ATOM 569 CB THR T 38 92.093 5.273 4.211 1.00 0.00 C ATOM 570 OG1 THR T 38 93.506 5.362 4.330 1.00 0.00 O ATOM 571 CG2 THR T 38 91.563 4.219 5.185 1.00 0.00 C ATOM 572 HA THR T 38 90.688 5.135 2.582 1.00 0.00 H ATOM 573 HB THR T 38 91.645 6.238 4.447 1.00 0.00 H ATOM 574 HG1 THR T 38 93.847 6.046 3.701 1.00 0.00 H ATOM 575 HG23 THR T 38 90.479 4.153 5.092 1.00 0.00 H ATOM 576 HG21 THR T 38 92.009 3.252 4.950 1.00 0.00 H ATOM 577 HG22 THR T 38 91.825 4.504 6.204 1.00 0.00 H ATOM 578 H THR T 38 92.099 2.843 3.431 1.00 0.00 H ATOM 579 N LYS T 39 93.486 4.916 1.104 1.00 0.00 N ATOM 580 CA LYS T 39 94.388 5.539 0.142 1.00 0.00 C ATOM 581 C LYS T 39 93.658 5.854 -1.161 1.00 0.00 C ATOM 582 O LYS T 39 93.604 7.007 -1.589 1.00 0.00 O ATOM 583 CB LYS T 39 95.568 4.608 -0.145 1.00 0.00 C ATOM 584 CG LYS T 39 96.378 4.400 1.136 1.00 0.00 C ATOM 585 CD LYS T 39 97.721 3.753 0.792 1.00 0.00 C ATOM 586 CE LYS T 39 98.553 3.595 2.066 1.00 0.00 C ATOM 587 NZ LYS T 39 99.963 3.277 1.702 1.00 0.00 N ATOM 588 HA LYS T 39 94.754 6.472 0.571 1.00 0.00 H ATOM 589 HB2 LYS T 39 95.195 3.647 -0.499 1.00 0.00 H ATOM 590 HB3 LYS T 39 96.205 5.053 -0.909 1.00 0.00 H ATOM 591 HG2 LYS T 39 96.551 5.363 1.617 1.00 0.00 H ATOM 592 HG3 LYS T 39 95.825 3.750 1.814 1.00 0.00 H ATOM 593 HD2 LYS T 39 97.549 2.773 0.346 1.00 0.00 H ATOM 594 HD3 LYS T 39 98.258 4.384 0.083 1.00 0.00 H ATOM 595 HE2 LYS T 39 98.142 2.786 2.671 1.00 0.00 H ATOM 596 HE3 LYS T 39 98.525 4.524 2.636 1.00 0.00 H ATOM 597 HZ1 LYS T 39 99.988 2.391 1.159 1.00 0.00 H ATOM 598 HZ2 LYS T 39 100.354 4.050 1.126 1.00 0.00 H ATOM 599 HZ3 LYS T 39 100.528 3.170 2.569 1.00 0.00 H ATOM 600 H LYS T 39 93.525 3.887 1.249 1.00 0.00 H ATOM 601 N GLU T 40 93.103 4.822 -1.791 1.00 0.00 N ATOM 602 CA GLU T 40 92.383 4.999 -3.051 1.00 0.00 C ATOM 603 C GLU T 40 90.933 5.401 -2.797 1.00 0.00 C ATOM 604 O GLU T 40 90.157 5.580 -3.736 1.00 0.00 O ATOM 605 CB GLU T 40 92.419 3.700 -3.858 1.00 0.00 C ATOM 606 CG GLU T 40 93.828 3.108 -3.809 1.00 0.00 C ATOM 607 CD GLU T 40 94.845 4.143 -4.278 1.00 0.00 C ATOM 608 OE1 GLU T 40 94.963 4.328 -5.478 1.00 0.00 O ATOM 609 OE2 GLU T 40 95.489 4.738 -3.429 1.00 0.00 O ATOM 610 HA GLU T 40 92.871 5.794 -3.614 1.00 0.00 H ATOM 611 HB2 GLU T 40 91.711 2.988 -3.434 1.00 0.00 H ATOM 612 HB3 GLU T 40 92.148 3.907 -4.893 1.00 0.00 H ATOM 613 HG2 GLU T 40 94.060 2.811 -2.786 1.00 0.00 H ATOM 614 HG3 GLU T 40 93.876 2.234 -4.459 1.00 0.00 H ATOM 615 H GLU T 40 93.183 3.870 -1.379 1.00 0.00 H ATOM 616 N LEU T 41 90.571 5.539 -1.526 1.00 0.00 N ATOM 617 CA LEU T 41 89.209 5.919 -1.169 1.00 0.00 C ATOM 618 C LEU T 41 88.977 7.400 -1.466 1.00 0.00 C ATOM 619 O LEU T 41 88.172 7.751 -2.329 1.00 0.00 O ATOM 620 CB LEU T 41 88.965 5.629 0.324 1.00 0.00 C ATOM 621 CG LEU T 41 87.469 5.386 0.607 1.00 0.00 C ATOM 622 CD1 LEU T 41 86.632 6.533 0.030 1.00 0.00 C ATOM 623 CD2 LEU T 41 87.007 4.044 -0.004 1.00 0.00 C ATOM 624 HA LEU T 41 88.508 5.334 -1.765 1.00 0.00 H ATOM 625 HB2 LEU T 41 89.530 4.742 0.611 1.00 0.00 H ATOM 626 HB3 LEU T 41 89.305 6.481 0.912 1.00 0.00 H ATOM 627 HG LEU T 41 87.327 5.344 1.687 1.00 0.00 H ATOM 628 HD21 LEU T 41 87.163 4.065 -1.083 1.00 0.00 H ATOM 629 HD22 LEU T 41 87.585 3.229 0.432 1.00 0.00 H ATOM 630 HD23 LEU T 41 85.948 3.895 0.209 1.00 0.00 H ATOM 631 HD11 LEU T 41 86.937 7.472 0.492 1.00 0.00 H ATOM 632 HD12 LEU T 41 86.789 6.589 -1.047 1.00 0.00 H ATOM 633 HD13 LEU T 41 85.577 6.351 0.236 1.00 0.00 H ATOM 634 H LEU T 41 91.270 5.373 -0.774 1.00 0.00 H ATOM 635 N GLY T 42 89.686 8.262 -0.745 1.00 0.00 N ATOM 636 CA GLY T 42 89.548 9.702 -0.938 1.00 0.00 C ATOM 637 C GLY T 42 89.795 10.084 -2.394 1.00 0.00 C ATOM 638 O GLY T 42 89.588 11.233 -2.786 1.00 0.00 O ATOM 639 HA3 GLY T 42 90.271 10.218 -0.306 1.00 0.00 H ATOM 640 HA2 GLY T 42 88.540 10.005 -0.656 1.00 0.00 H ATOM 641 H GLY T 42 90.351 7.904 -0.030 1.00 0.00 H ATOM 642 N LYS T 43 90.237 9.116 -3.189 1.00 0.00 N ATOM 643 CA LYS T 43 90.508 9.365 -4.601 1.00 0.00 C ATOM 644 C LYS T 43 89.204 9.475 -5.386 1.00 0.00 C ATOM 645 O LYS T 43 89.058 10.343 -6.247 1.00 0.00 O ATOM 646 CB LYS T 43 91.360 8.233 -5.178 1.00 0.00 C ATOM 647 CG LYS T 43 91.855 8.625 -6.571 1.00 0.00 C ATOM 648 CD LYS T 43 92.817 7.555 -7.093 1.00 0.00 C ATOM 649 CE LYS T 43 93.251 7.909 -8.516 1.00 0.00 C ATOM 650 NZ LYS T 43 94.216 6.887 -9.012 1.00 0.00 N ATOM 651 HA LYS T 43 91.051 10.306 -4.686 1.00 0.00 H ATOM 652 HB2 LYS T 43 92.215 8.053 -4.526 1.00 0.00 H ATOM 653 HB3 LYS T 43 90.760 7.326 -5.248 1.00 0.00 H ATOM 654 HG2 LYS T 43 91.005 8.710 -7.248 1.00 0.00 H ATOM 655 HG3 LYS T 43 92.372 9.583 -6.516 1.00 0.00 H ATOM 656 HD2 LYS T 43 93.694 7.508 -6.447 1.00 0.00 H ATOM 657 HD3 LYS T 43 92.317 6.587 -7.096 1.00 0.00 H ATOM 658 HE2 LYS T 43 93.727 8.889 -8.517 1.00 0.00 H ATOM 659 HE3 LYS T 43 92.377 7.930 -9.168 1.00 0.00 H ATOM 660 HZ1 LYS T 43 95.049 6.868 -8.390 1.00 0.00 H ATOM 661 HZ2 LYS T 43 93.760 5.952 -9.011 1.00 0.00 H ATOM 662 HZ3 LYS T 43 94.510 7.130 -9.980 1.00 0.00 H ATOM 663 H LYS T 43 90.393 8.165 -2.799 1.00 0.00 H ATOM 664 N VAL T 44 88.261 8.589 -5.083 1.00 0.00 N ATOM 665 CA VAL T 44 86.972 8.594 -5.767 1.00 0.00 C ATOM 666 C VAL T 44 86.078 9.699 -5.215 1.00 0.00 C ATOM 667 O VAL T 44 85.427 10.420 -5.971 1.00 0.00 O ATOM 668 CB VAL T 44 86.283 7.240 -5.592 1.00 0.00 C ATOM 669 CG1 VAL T 44 84.977 7.220 -6.389 1.00 0.00 C ATOM 670 CG2 VAL T 44 87.207 6.131 -6.102 1.00 0.00 C ATOM 671 HA VAL T 44 87.144 8.778 -6.827 1.00 0.00 H ATOM 672 HB VAL T 44 86.064 7.079 -4.536 1.00 0.00 H ATOM 673 HG11 VAL T 44 84.320 8.010 -6.027 1.00 0.00 H ATOM 674 HG12 VAL T 44 85.195 7.382 -7.445 1.00 0.00 H ATOM 675 HG13 VAL T 44 84.490 6.253 -6.261 1.00 0.00 H ATOM 676 HG21 VAL T 44 87.423 6.297 -7.157 1.00 0.00 H ATOM 677 HG22 VAL T 44 88.137 6.144 -5.533 1.00 0.00 H ATOM 678 HG23 VAL T 44 86.717 5.165 -5.978 1.00 0.00 H ATOM 679 H VAL T 44 88.445 7.879 -4.345 1.00 0.00 H ATOM 680 N MET T 45 86.051 9.827 -3.892 1.00 0.00 N ATOM 681 CA MET T 45 85.233 10.849 -3.250 1.00 0.00 C ATOM 682 C MET T 45 85.643 12.240 -3.725 1.00 0.00 C ATOM 683 O MET T 45 84.942 13.222 -3.482 1.00 0.00 O ATOM 684 CB MET T 45 85.385 10.761 -1.730 1.00 0.00 C ATOM 685 CG MET T 45 84.705 9.488 -1.222 1.00 0.00 C ATOM 686 SD MET T 45 82.908 9.684 -1.322 1.00 0.00 S ATOM 687 CE MET T 45 82.487 7.924 -1.305 1.00 0.00 C ATOM 688 HA MET T 45 84.191 10.677 -3.521 1.00 0.00 H ATOM 689 HB2 MET T 45 86.444 10.736 -1.471 1.00 0.00 H ATOM 690 HB3 MET T 45 84.920 11.631 -1.267 1.00 0.00 H ATOM 691 HG2 MET T 45 84.994 9.309 -0.186 1.00 0.00 H ATOM 692 HG3 MET T 45 85.013 8.641 -1.835 1.00 0.00 H ATOM 693 HE1 MET T 45 82.949 7.433 -2.161 1.00 0.00 H ATOM 694 HE2 MET T 45 82.855 7.473 -0.383 1.00 0.00 H ATOM 695 HE3 MET T 45 81.404 7.810 -1.360 1.00 0.00 H ATOM 696 H MET T 45 86.623 9.187 -3.305 1.00 0.00 H ATOM 697 N ARG T 46 86.784 12.314 -4.403 1.00 0.00 N ATOM 698 CA ARG T 46 87.280 13.590 -4.907 1.00 0.00 C ATOM 699 C ARG T 46 86.464 14.044 -6.113 1.00 0.00 C ATOM 700 O ARG T 46 86.118 15.220 -6.233 1.00 0.00 O ATOM 701 CB ARG T 46 88.751 13.455 -5.306 1.00 0.00 C ATOM 702 CG ARG T 46 89.359 14.845 -5.500 1.00 0.00 C ATOM 703 CD ARG T 46 90.802 14.707 -5.987 1.00 0.00 C ATOM 704 NE ARG T 46 91.451 16.012 -6.023 1.00 0.00 N ATOM 705 CZ ARG T 46 92.741 16.131 -6.320 1.00 0.00 C ATOM 706 NH1 ARG T 46 93.450 15.067 -6.583 1.00 0.00 N ATOM 707 NH2 ARG T 46 93.299 17.310 -6.348 1.00 0.00 N ATOM 708 HA ARG T 46 87.183 14.335 -4.117 1.00 0.00 H ATOM 709 HB2 ARG T 46 89.293 12.928 -4.521 1.00 0.00 H ATOM 710 HB3 ARG T 46 88.825 12.893 -6.237 1.00 0.00 H ATOM 711 HG2 ARG T 46 88.777 15.397 -6.239 1.00 0.00 H ATOM 712 HG3 ARG T 46 89.345 15.383 -4.552 1.00 0.00 H ATOM 713 HD2 ARG T 46 90.804 14.276 -6.988 1.00 0.00 H ATOM 714 HD3 ARG T 46 91.349 14.051 -5.310 1.00 0.00 H ATOM 715 HE ARG T 46 90.895 16.865 -5.813 1.00 0.00 H ATOM 716 HH12 ARG T 46 94.459 15.159 -6.815 1.00 0.00 H ATOM 717 HH11 ARG T 46 93.005 14.127 -6.560 1.00 0.00 H ATOM 718 HH22 ARG T 46 94.308 17.402 -6.581 1.00 0.00 H ATOM 719 HH21 ARG T 46 92.734 18.158 -6.138 1.00 0.00 H ATOM 720 H ARG T 46 87.332 11.448 -4.577 1.00 0.00 H ATOM 721 N MET T 47 86.161 13.107 -7.005 1.00 0.00 N ATOM 722 CA MET T 47 85.385 13.424 -8.198 1.00 0.00 C ATOM 723 C MET T 47 84.015 13.975 -7.816 1.00 0.00 C ATOM 724 O MET T 47 83.423 14.760 -8.557 1.00 0.00 O ATOM 725 CB MET T 47 85.213 12.170 -9.057 1.00 0.00 C ATOM 726 CG MET T 47 86.585 11.665 -9.505 1.00 0.00 C ATOM 727 SD MET T 47 86.379 10.450 -10.831 1.00 0.00 S ATOM 728 CE MET T 47 85.516 9.194 -9.856 1.00 0.00 C ATOM 729 HA MET T 47 85.922 14.183 -8.767 1.00 0.00 H ATOM 730 HB2 MET T 47 84.713 11.396 -8.474 1.00 0.00 H ATOM 731 HB3 MET T 47 84.610 12.409 -9.933 1.00 0.00 H ATOM 732 HG2 MET T 47 87.094 11.199 -8.661 1.00 0.00 H ATOM 733 HG3 MET T 47 87.180 12.503 -9.869 1.00 0.00 H ATOM 734 HE1 MET T 47 86.152 8.877 -9.030 1.00 0.00 H ATOM 735 HE2 MET T 47 84.590 9.614 -9.463 1.00 0.00 H ATOM 736 HE3 MET T 47 85.287 8.337 -10.490 1.00 0.00 H ATOM 737 H MET T 47 86.483 12.130 -6.850 1.00 0.00 H ATOM 738 N LEU T 48 83.518 13.560 -6.656 1.00 0.00 N ATOM 739 CA LEU T 48 82.217 14.020 -6.185 1.00 0.00 C ATOM 740 C LEU T 48 82.310 15.462 -5.690 1.00 0.00 C ATOM 741 O LEU T 48 81.919 16.395 -6.391 1.00 0.00 O ATOM 742 CB LEU T 48 81.721 13.115 -5.049 1.00 0.00 C ATOM 743 CG LEU T 48 81.186 11.799 -5.626 1.00 0.00 C ATOM 744 CD1 LEU T 48 82.240 11.167 -6.540 1.00 0.00 C ATOM 745 CD2 LEU T 48 80.863 10.839 -4.478 1.00 0.00 C ATOM 746 HA LEU T 48 81.512 13.976 -7.015 1.00 0.00 H ATOM 747 HB2 LEU T 48 82.546 12.903 -4.369 1.00 0.00 H ATOM 748 HB3 LEU T 48 80.924 13.622 -4.505 1.00 0.00 H ATOM 749 HG LEU T 48 80.284 11.997 -6.204 1.00 0.00 H ATOM 750 HD21 LEU T 48 81.768 10.645 -3.903 1.00 0.00 H ATOM 751 HD22 LEU T 48 80.109 11.288 -3.831 1.00 0.00 H ATOM 752 HD23 LEU T 48 80.482 9.902 -4.885 1.00 0.00 H ATOM 753 HD11 LEU T 48 82.469 11.852 -7.356 1.00 0.00 H ATOM 754 HD12 LEU T 48 83.145 10.968 -5.966 1.00 0.00 H ATOM 755 HD13 LEU T 48 81.853 10.232 -6.946 1.00 0.00 H ATOM 756 H LEU T 48 84.066 12.895 -6.074 1.00 0.00 H ATOM 757 N GLY T 49 82.830 15.634 -4.479 1.00 0.00 N ATOM 758 CA GLY T 49 82.969 16.965 -3.901 1.00 0.00 C ATOM 759 C GLY T 49 83.372 16.880 -2.433 1.00 0.00 C ATOM 760 O GLY T 49 82.998 17.731 -1.626 1.00 0.00 O ATOM 761 HA3 GLY T 49 82.017 17.490 -3.981 1.00 0.00 H ATOM 762 HA2 GLY T 49 83.733 17.515 -4.450 1.00 0.00 H ATOM 763 H GLY T 49 83.143 14.805 -3.935 1.00 0.00 H ATOM 764 N GLN T 50 84.139 15.844 -2.092 1.00 0.00 N ATOM 765 CA GLN T 50 84.596 15.643 -0.715 1.00 0.00 C ATOM 766 C GLN T 50 86.067 15.236 -0.699 1.00 0.00 C ATOM 767 O GLN T 50 86.623 14.846 -1.725 1.00 0.00 O ATOM 768 CB GLN T 50 83.760 14.551 -0.042 1.00 0.00 C ATOM 769 CG GLN T 50 82.286 14.961 -0.037 1.00 0.00 C ATOM 770 CD GLN T 50 82.092 16.202 0.828 1.00 0.00 C ATOM 771 OE1 GLN T 50 81.726 17.263 0.320 1.00 0.00 O ATOM 772 NE2 GLN T 50 82.316 16.133 2.112 1.00 0.00 N ATOM 773 HA GLN T 50 84.478 16.580 -0.170 1.00 0.00 H ATOM 774 HB2 GLN T 50 83.875 13.616 -0.591 1.00 0.00 H ATOM 775 HB3 GLN T 50 84.102 14.413 0.984 1.00 0.00 H ATOM 776 HG2 GLN T 50 81.968 15.178 -1.057 1.00 0.00 H ATOM 777 HG3 GLN T 50 81.685 14.144 0.363 1.00 0.00 H ATOM 778 HE22 GLN T 50 82.625 15.236 2.539 1.00 0.00 H ATOM 779 HE21 GLN T 50 82.186 16.975 2.709 1.00 0.00 H ATOM 780 H GLN T 50 84.420 15.160 -2.823 1.00 0.00 H ATOM 781 N ASN T 51 86.691 15.332 0.471 1.00 0.00 N ATOM 782 CA ASN T 51 88.098 14.972 0.606 1.00 0.00 C ATOM 783 C ASN T 51 88.526 15.013 2.071 1.00 0.00 C ATOM 784 O ASN T 51 89.400 15.793 2.450 1.00 0.00 O ATOM 785 CB ASN T 51 88.963 15.937 -0.206 1.00 0.00 C ATOM 786 CG ASN T 51 90.438 15.590 -0.029 1.00 0.00 C ATOM 787 OD1 ASN T 51 90.910 14.588 -0.565 1.00 0.00 O ATOM 788 ND2 ASN T 51 91.198 16.364 0.697 1.00 0.00 N ATOM 789 HA ASN T 51 88.231 13.958 0.229 1.00 0.00 H ATOM 790 HB2 ASN T 51 88.698 15.860 -1.260 1.00 0.00 H ATOM 791 HB3 ASN T 51 88.788 16.956 0.138 1.00 0.00 H ATOM 792 HD22 ASN T 51 90.797 17.210 1.149 1.00 0.00 H ATOM 793 HD21 ASN T 51 92.204 16.134 0.823 1.00 0.00 H ATOM 794 H ASN T 51 86.167 15.669 1.304 1.00 0.00 H ATOM 795 N PRO T 52 87.926 14.193 2.894 1.00 0.00 N ATOM 796 CA PRO T 52 88.248 14.133 4.350 1.00 0.00 C ATOM 797 C PRO T 52 89.553 13.381 4.619 1.00 0.00 C ATOM 798 O PRO T 52 90.223 12.929 3.690 1.00 0.00 O ATOM 799 CB PRO T 52 87.043 13.392 4.942 1.00 0.00 C ATOM 800 CG PRO T 52 86.574 12.493 3.841 1.00 0.00 C ATOM 801 CD PRO T 52 86.872 13.230 2.528 1.00 0.00 C ATOM 802 HA PRO T 52 88.405 15.119 4.787 1.00 0.00 H ATOM 803 HD3 PRO T 52 87.227 12.537 1.766 1.00 0.00 H ATOM 804 HD2 PRO T 52 85.984 13.746 2.162 1.00 0.00 H ATOM 805 HG3 PRO T 52 85.504 12.306 3.935 1.00 0.00 H ATOM 806 HG2 PRO T 52 87.111 11.545 3.873 1.00 0.00 H ATOM 807 HB2 PRO T 52 87.340 12.810 5.814 1.00 0.00 H ATOM 808 HB3 PRO T 52 86.260 14.095 5.225 1.00 0.00 H ATOM 809 N THR T 53 89.903 13.254 5.895 1.00 0.00 N ATOM 810 CA THR T 53 91.127 12.557 6.279 1.00 0.00 C ATOM 811 C THR T 53 90.916 11.041 6.213 1.00 0.00 C ATOM 812 O THR T 53 89.793 10.563 6.365 1.00 0.00 O ATOM 813 CB THR T 53 91.536 12.960 7.707 1.00 0.00 C ATOM 814 OG1 THR T 53 92.183 11.867 8.344 1.00 0.00 O ATOM 815 CG2 THR T 53 90.293 13.347 8.513 1.00 0.00 C ATOM 816 HA THR T 53 91.920 12.836 5.585 1.00 0.00 H ATOM 817 HB THR T 53 92.216 13.810 7.656 1.00 0.00 H ATOM 818 HG1 THR T 53 92.445 12.129 9.262 1.00 0.00 H ATOM 819 HG23 THR T 53 89.793 14.185 8.028 1.00 0.00 H ATOM 820 HG21 THR T 53 89.613 12.496 8.561 1.00 0.00 H ATOM 821 HG22 THR T 53 90.590 13.634 9.522 1.00 0.00 H ATOM 822 H THR T 53 89.293 13.659 6.634 1.00 0.00 H ATOM 823 N PRO T 54 91.963 10.280 5.993 1.00 0.00 N ATOM 824 CA PRO T 54 91.865 8.790 5.914 1.00 0.00 C ATOM 825 C PRO T 54 91.516 8.172 7.268 1.00 0.00 C ATOM 826 O PRO T 54 91.234 6.978 7.362 1.00 0.00 O ATOM 827 CB PRO T 54 93.262 8.357 5.439 1.00 0.00 C ATOM 828 CG PRO T 54 94.174 9.458 5.878 1.00 0.00 C ATOM 829 CD PRO T 54 93.350 10.743 5.796 1.00 0.00 C ATOM 830 HA PRO T 54 91.071 8.459 5.244 1.00 0.00 H ATOM 831 HD3 PRO T 54 93.642 11.443 6.579 1.00 0.00 H ATOM 832 HD2 PRO T 54 93.467 11.219 4.822 1.00 0.00 H ATOM 833 HG3 PRO T 54 95.039 9.520 5.218 1.00 0.00 H ATOM 834 HG2 PRO T 54 94.510 9.287 6.901 1.00 0.00 H ATOM 835 HB2 PRO T 54 93.549 7.413 5.901 1.00 0.00 H ATOM 836 HB3 PRO T 54 93.283 8.250 4.354 1.00 0.00 H ATOM 837 N GLU T 55 91.535 8.996 8.312 1.00 0.00 N ATOM 838 CA GLU T 55 91.217 8.522 9.654 1.00 0.00 C ATOM 839 C GLU T 55 89.706 8.437 9.846 1.00 0.00 C ATOM 840 O GLU T 55 89.210 7.575 10.571 1.00 0.00 O ATOM 841 CB GLU T 55 91.813 9.471 10.697 1.00 0.00 C ATOM 842 CG GLU T 55 91.493 8.952 12.101 1.00 0.00 C ATOM 843 CD GLU T 55 92.267 9.755 13.141 1.00 0.00 C ATOM 844 OE1 GLU T 55 92.354 10.962 12.985 1.00 0.00 O ATOM 845 OE2 GLU T 55 92.761 9.151 14.079 1.00 0.00 O ATOM 846 HA GLU T 55 91.645 7.528 9.780 1.00 0.00 H ATOM 847 HB2 GLU T 55 92.894 9.523 10.566 1.00 0.00 H ATOM 848 HB3 GLU T 55 91.385 10.465 10.571 1.00 0.00 H ATOM 849 HG2 GLU T 55 90.424 9.053 12.289 1.00 0.00 H ATOM 850 HG3 GLU T 55 91.776 7.902 12.171 1.00 0.00 H ATOM 851 H GLU T 55 91.781 9.996 8.169 1.00 0.00 H ATOM 852 N GLU T 56 88.981 9.339 9.191 1.00 0.00 N ATOM 853 CA GLU T 56 87.526 9.359 9.295 1.00 0.00 C ATOM 854 C GLU T 56 86.907 8.300 8.388 1.00 0.00 C ATOM 855 O GLU T 56 86.022 7.552 8.805 1.00 0.00 O ATOM 856 CB GLU T 56 86.994 10.740 8.905 1.00 0.00 C ATOM 857 CG GLU T 56 87.325 11.746 10.008 1.00 0.00 C ATOM 858 CD GLU T 56 86.898 13.147 9.582 1.00 0.00 C ATOM 859 OE1 GLU T 56 87.369 13.600 8.551 1.00 0.00 O ATOM 860 OE2 GLU T 56 86.107 13.746 10.291 1.00 0.00 O ATOM 861 HA GLU T 56 87.252 9.141 10.327 1.00 0.00 H ATOM 862 HB2 GLU T 56 87.459 11.058 7.972 1.00 0.00 H ATOM 863 HB3 GLU T 56 85.913 10.689 8.772 1.00 0.00 H ATOM 864 HG2 GLU T 56 86.796 11.469 10.920 1.00 0.00 H ATOM 865 HG3 GLU T 56 88.399 11.737 10.195 1.00 0.00 H ATOM 866 H GLU T 56 89.460 10.043 8.594 1.00 0.00 H ATOM 867 N LEU T 57 87.375 8.244 7.145 1.00 0.00 N ATOM 868 CA LEU T 57 86.857 7.274 6.188 1.00 0.00 C ATOM 869 C LEU T 57 86.986 5.856 6.735 1.00 0.00 C ATOM 870 O LEU T 57 86.074 5.042 6.593 1.00 0.00 O ATOM 871 CB LEU T 57 87.620 7.384 4.863 1.00 0.00 C ATOM 872 CG LEU T 57 87.397 8.774 4.236 1.00 0.00 C ATOM 873 CD1 LEU T 57 88.525 9.078 3.244 1.00 0.00 C ATOM 874 CD2 LEU T 57 86.053 8.817 3.492 1.00 0.00 C ATOM 875 HA LEU T 57 85.802 7.491 6.018 1.00 0.00 H ATOM 876 HB2 LEU T 57 88.684 7.238 5.047 1.00 0.00 H ATOM 877 HB3 LEU T 57 87.262 6.617 4.176 1.00 0.00 H ATOM 878 HG LEU T 57 87.390 9.517 5.033 1.00 0.00 H ATOM 879 HD21 LEU T 57 86.052 8.066 2.702 1.00 0.00 H ATOM 880 HD22 LEU T 57 85.244 8.609 4.193 1.00 0.00 H ATOM 881 HD23 LEU T 57 85.912 9.806 3.056 1.00 0.00 H ATOM 882 HD11 LEU T 57 89.481 9.066 3.768 1.00 0.00 H ATOM 883 HD12 LEU T 57 88.530 8.322 2.458 1.00 0.00 H ATOM 884 HD13 LEU T 57 88.364 10.062 2.803 1.00 0.00 H ATOM 885 H LEU T 57 88.123 8.903 6.850 1.00 0.00 H ATOM 886 N GLN T 58 88.123 5.565 7.361 1.00 0.00 N ATOM 887 CA GLN T 58 88.355 4.238 7.924 1.00 0.00 C ATOM 888 C GLN T 58 87.130 3.767 8.704 1.00 0.00 C ATOM 889 O GLN T 58 86.849 2.571 8.774 1.00 0.00 O ATOM 890 CB GLN T 58 89.585 4.271 8.844 1.00 0.00 C ATOM 891 CG GLN T 58 89.709 2.955 9.625 1.00 0.00 C ATOM 892 CD GLN T 58 89.580 1.760 8.684 1.00 0.00 C ATOM 893 OE1 GLN T 58 88.646 0.969 8.809 1.00 0.00 O ATOM 894 NE2 GLN T 58 90.468 1.581 7.744 1.00 0.00 N ATOM 895 HA GLN T 58 88.536 3.538 7.109 1.00 0.00 H ATOM 896 HB2 GLN T 58 90.481 4.416 8.240 1.00 0.00 H ATOM 897 HB3 GLN T 58 89.485 5.098 9.547 1.00 0.00 H ATOM 898 HG2 GLN T 58 90.681 2.920 10.118 1.00 0.00 H ATOM 899 HG3 GLN T 58 88.920 2.907 10.376 1.00 0.00 H ATOM 900 HE22 GLN T 58 91.257 2.251 7.640 1.00 0.00 H ATOM 901 HE21 GLN T 58 90.387 0.769 7.099 1.00 0.00 H ATOM 902 H GLN T 58 88.859 6.295 7.451 1.00 0.00 H ATOM 903 N GLU T 59 86.405 4.716 9.288 1.00 0.00 N ATOM 904 CA GLU T 59 85.213 4.385 10.060 1.00 0.00 C ATOM 905 C GLU T 59 84.177 3.696 9.177 1.00 0.00 C ATOM 906 O GLU T 59 83.430 2.833 9.638 1.00 0.00 O ATOM 907 CB GLU T 59 84.611 5.656 10.662 1.00 0.00 C ATOM 908 CG GLU T 59 85.657 6.354 11.532 1.00 0.00 C ATOM 909 CD GLU T 59 85.075 7.634 12.122 1.00 0.00 C ATOM 910 OE1 GLU T 59 83.864 7.706 12.249 1.00 0.00 O ATOM 911 OE2 GLU T 59 85.848 8.523 12.437 1.00 0.00 O ATOM 912 HA GLU T 59 85.499 3.705 10.862 1.00 0.00 H ATOM 913 HB2 GLU T 59 84.300 6.326 9.860 1.00 0.00 H ATOM 914 HB3 GLU T 59 83.746 5.395 11.272 1.00 0.00 H ATOM 915 HG2 GLU T 59 85.957 5.688 12.341 1.00 0.00 H ATOM 916 HG3 GLU T 59 86.527 6.600 10.923 1.00 0.00 H ATOM 917 H GLU T 59 86.693 5.711 9.193 1.00 0.00 H ATOM 918 N MET T 60 84.138 4.084 7.907 1.00 0.00 N ATOM 919 CA MET T 60 83.190 3.499 6.966 1.00 0.00 C ATOM 920 C MET T 60 83.630 2.095 6.561 1.00 0.00 C ATOM 921 O MET T 60 82.800 1.240 6.251 1.00 0.00 O ATOM 922 CB MET T 60 83.080 4.381 5.720 1.00 0.00 C ATOM 923 CG MET T 60 82.319 5.664 6.063 1.00 0.00 C ATOM 924 SD MET T 60 80.549 5.305 6.174 1.00 0.00 S ATOM 925 CE MET T 60 80.142 5.627 4.440 1.00 0.00 C ATOM 926 HA MET T 60 82.217 3.435 7.453 1.00 0.00 H ATOM 927 HB2 MET T 60 84.079 4.635 5.366 1.00 0.00 H ATOM 928 HB3 MET T 60 82.546 3.840 4.939 1.00 0.00 H ATOM 929 HG2 MET T 60 82.491 6.408 5.285 1.00 0.00 H ATOM 930 HG3 MET T 60 82.672 6.052 7.019 1.00 0.00 H ATOM 931 HE1 MET T 60 80.392 6.659 4.195 1.00 0.00 H ATOM 932 HE2 MET T 60 80.714 4.952 3.803 1.00 0.00 H ATOM 933 HE3 MET T 60 79.076 5.463 4.282 1.00 0.00 H ATOM 934 H MET T 60 84.796 4.819 7.578 1.00 0.00 H ATOM 935 N ILE T 61 84.941 1.863 6.566 1.00 0.00 N ATOM 936 CA ILE T 61 85.486 0.557 6.197 1.00 0.00 C ATOM 937 C ILE T 61 85.604 -0.337 7.432 1.00 0.00 C ATOM 938 O ILE T 61 85.694 -1.559 7.318 1.00 0.00 O ATOM 939 CB ILE T 61 86.867 0.734 5.545 1.00 0.00 C ATOM 940 CG1 ILE T 61 86.704 1.361 4.153 1.00 0.00 C ATOM 941 CG2 ILE T 61 87.558 -0.627 5.398 1.00 0.00 C ATOM 942 CD1 ILE T 61 86.183 2.799 4.269 1.00 0.00 C ATOM 943 HA ILE T 61 84.811 0.083 5.485 1.00 0.00 H ATOM 944 HB ILE T 61 87.472 1.384 6.177 1.00 0.00 H ATOM 945 HG12 ILE T 61 87.670 1.369 3.647 1.00 0.00 H ATOM 946 HG13 ILE T 61 85.996 0.769 3.573 1.00 0.00 H ATOM 947 HD11 ILE T 61 85.216 2.794 4.771 1.00 0.00 H ATOM 948 HD12 ILE T 61 86.890 3.395 4.846 1.00 0.00 H ATOM 949 HD13 ILE T 61 86.074 3.226 3.272 1.00 0.00 H ATOM 950 HG21 ILE T 61 87.681 -1.079 6.382 1.00 0.00 H ATOM 951 HG22 ILE T 61 86.947 -1.278 4.772 1.00 0.00 H ATOM 952 HG23 ILE T 61 88.535 -0.489 4.935 1.00 0.00 H ATOM 953 H ILE T 61 85.592 2.627 6.838 1.00 0.00 H ATOM 954 N ASP T 62 85.612 0.280 8.609 1.00 0.00 N ATOM 955 CA ASP T 62 85.730 -0.471 9.855 1.00 0.00 C ATOM 956 C ASP T 62 84.397 -1.104 10.246 1.00 0.00 C ATOM 957 O ASP T 62 84.359 -2.046 11.038 1.00 0.00 O ATOM 958 CB ASP T 62 86.202 0.455 10.977 1.00 0.00 C ATOM 959 CG ASP T 62 86.334 -0.328 12.279 1.00 0.00 C ATOM 960 OD1 ASP T 62 85.335 -0.471 12.965 1.00 0.00 O ATOM 961 OD2 ASP T 62 87.431 -0.772 12.572 1.00 0.00 O ATOM 962 HA ASP T 62 86.459 -1.267 9.701 1.00 0.00 H ATOM 963 HB2 ASP T 62 87.170 0.880 10.711 1.00 0.00 H ATOM 964 HB3 ASP T 62 85.478 1.259 11.111 1.00 0.00 H ATOM 965 H ASP T 62 85.533 1.316 8.643 1.00 0.00 H ATOM 966 N GLU T 63 83.307 -0.581 9.694 1.00 0.00 N ATOM 967 CA GLU T 63 81.980 -1.107 10.004 1.00 0.00 C ATOM 968 C GLU T 63 81.692 -2.370 9.194 1.00 0.00 C ATOM 969 O GLU T 63 81.047 -3.297 9.685 1.00 0.00 O ATOM 970 CB GLU T 63 80.914 -0.046 9.708 1.00 0.00 C ATOM 971 CG GLU T 63 81.221 0.630 8.371 1.00 0.00 C ATOM 972 CD GLU T 63 80.012 1.435 7.904 1.00 0.00 C ATOM 973 OE1 GLU T 63 79.059 0.824 7.448 1.00 0.00 O ATOM 974 OE2 GLU T 63 80.057 2.649 8.011 1.00 0.00 O ATOM 975 HA GLU T 63 81.952 -1.362 11.063 1.00 0.00 H ATOM 976 HB2 GLU T 63 79.934 -0.520 9.659 1.00 0.00 H ATOM 977 HB3 GLU T 63 80.915 0.701 10.502 1.00 0.00 H ATOM 978 HG2 GLU T 63 82.075 1.297 8.491 1.00 0.00 H ATOM 979 HG3 GLU T 63 81.458 -0.131 7.627 1.00 0.00 H ATOM 980 H GLU T 63 83.400 0.215 9.031 1.00 0.00 H ATOM 981 N VAL T 64 82.168 -2.400 7.951 1.00 0.00 N ATOM 982 CA VAL T 64 81.949 -3.555 7.081 1.00 0.00 C ATOM 983 C VAL T 64 83.053 -4.594 7.267 1.00 0.00 C ATOM 984 O VAL T 64 82.810 -5.795 7.149 1.00 0.00 O ATOM 985 CB VAL T 64 81.911 -3.104 5.619 1.00 0.00 C ATOM 986 CG1 VAL T 64 80.598 -2.368 5.344 1.00 0.00 C ATOM 987 CG2 VAL T 64 83.086 -2.163 5.345 1.00 0.00 C ATOM 988 HA VAL T 64 80.995 -4.010 7.349 1.00 0.00 H ATOM 989 HB VAL T 64 81.982 -3.976 4.970 1.00 0.00 H ATOM 990 HG11 VAL T 64 79.760 -3.037 5.540 1.00 0.00 H ATOM 991 HG12 VAL T 64 80.528 -1.496 5.995 1.00 0.00 H ATOM 992 HG13 VAL T 64 80.574 -2.048 4.302 1.00 0.00 H ATOM 993 HG21 VAL T 64 83.012 -1.292 5.997 1.00 0.00 H ATOM 994 HG22 VAL T 64 84.022 -2.686 5.540 1.00 0.00 H ATOM 995 HG23 VAL T 64 83.058 -1.842 4.304 1.00 0.00 H ATOM 996 H VAL T 64 82.706 -1.586 7.592 1.00 0.00 H ATOM 997 N ASP T 65 84.263 -4.127 7.555 1.00 0.00 N ATOM 998 CA ASP T 65 85.391 -5.032 7.751 1.00 0.00 C ATOM 999 C ASP T 65 85.102 -6.008 8.887 1.00 0.00 C ATOM 1000 O ASP T 65 85.593 -5.840 10.003 1.00 0.00 O ATOM 1001 CB ASP T 65 86.661 -4.230 8.066 1.00 0.00 C ATOM 1002 CG ASP T 65 87.226 -3.615 6.789 1.00 0.00 C ATOM 1003 OD1 ASP T 65 86.487 -3.520 5.823 1.00 0.00 O ATOM 1004 OD2 ASP T 65 88.390 -3.249 6.797 1.00 0.00 O ATOM 1005 HA ASP T 65 85.543 -5.598 6.832 1.00 0.00 H ATOM 1006 HB2 ASP T 65 86.420 -3.436 8.772 1.00 0.00 H ATOM 1007 HB3 ASP T 65 87.406 -4.893 8.507 1.00 0.00 H ATOM 1008 H ASP T 65 84.409 -3.101 7.642 1.00 0.00 H ATOM 1009 N GLU T 66 84.307 -7.031 8.593 1.00 0.00 N ATOM 1010 CA GLU T 66 83.963 -8.032 9.596 1.00 0.00 C ATOM 1011 C GLU T 66 85.102 -9.034 9.753 1.00 0.00 C ATOM 1012 O GLU T 66 84.873 -10.214 10.021 1.00 0.00 O ATOM 1013 CB GLU T 66 82.686 -8.768 9.184 1.00 0.00 C ATOM 1014 CG GLU T 66 81.481 -7.843 9.369 1.00 0.00 C ATOM 1015 CD GLU T 66 81.183 -7.664 10.853 1.00 0.00 C ATOM 1016 OE1 GLU T 66 81.656 -8.472 11.635 1.00 0.00 O ATOM 1017 OE2 GLU T 66 80.485 -6.720 11.187 1.00 0.00 O ATOM 1018 HA GLU T 66 83.798 -7.529 10.549 1.00 0.00 H ATOM 1019 HB2 GLU T 66 82.759 -9.065 8.138 1.00 0.00 H ATOM 1020 HB3 GLU T 66 82.562 -9.655 9.804 1.00 0.00 H ATOM 1021 HG2 GLU T 66 81.700 -6.872 8.925 1.00 0.00 H ATOM 1022 HG3 GLU T 66 80.612 -8.279 8.876 1.00 0.00 H ATOM 1023 H GLU T 66 83.923 -7.119 7.630 1.00 0.00 H ATOM 1024 N ASP T 67 86.331 -8.554 9.583 1.00 0.00 N ATOM 1025 CA ASP T 67 87.505 -9.413 9.705 1.00 0.00 C ATOM 1026 C ASP T 67 88.738 -8.588 10.059 1.00 0.00 C ATOM 1027 O ASP T 67 89.858 -9.099 10.063 1.00 0.00 O ATOM 1028 CB ASP T 67 87.747 -10.155 8.388 1.00 0.00 C ATOM 1029 CG ASP T 67 88.160 -9.168 7.300 1.00 0.00 C ATOM 1030 OD1 ASP T 67 87.482 -8.165 7.147 1.00 0.00 O ATOM 1031 OD2 ASP T 67 89.149 -9.431 6.636 1.00 0.00 O ATOM 1032 HA ASP T 67 87.323 -10.134 10.502 1.00 0.00 H ATOM 1033 HB2 ASP T 67 88.539 -10.890 8.528 1.00 0.00 H ATOM 1034 HB3 ASP T 67 86.831 -10.663 8.086 1.00 0.00 H ATOM 1035 H ASP T 67 86.458 -7.546 9.359 1.00 0.00 H ATOM 1036 N GLY T 68 88.524 -7.310 10.356 1.00 0.00 N ATOM 1037 CA GLY T 68 89.627 -6.423 10.711 1.00 0.00 C ATOM 1038 C GLY T 68 90.807 -6.615 9.764 1.00 0.00 C ATOM 1039 O GLY T 68 91.762 -7.325 10.083 1.00 0.00 O ATOM 1040 HA3 GLY T 68 89.947 -6.642 11.730 1.00 0.00 H ATOM 1041 HA2 GLY T 68 89.287 -5.389 10.653 1.00 0.00 H ATOM 1042 H GLY T 68 87.554 -6.936 10.335 1.00 0.00 H ATOM 1043 N SER T 69 90.734 -5.979 8.596 1.00 0.00 N ATOM 1044 CA SER T 69 91.800 -6.083 7.599 1.00 0.00 C ATOM 1045 C SER T 69 91.976 -4.760 6.860 1.00 0.00 C ATOM 1046 O SER T 69 92.913 -4.596 6.078 1.00 0.00 O ATOM 1047 CB SER T 69 91.466 -7.187 6.595 1.00 0.00 C ATOM 1048 OG SER T 69 90.221 -6.895 5.973 1.00 0.00 O ATOM 1049 HA SER T 69 92.730 -6.325 8.113 1.00 0.00 H ATOM 1050 HB2 SER T 69 91.399 -8.143 7.114 1.00 0.00 H ATOM 1051 HB3 SER T 69 92.248 -7.240 5.838 1.00 0.00 H ATOM 1052 HG SER T 69 90.284 -6.026 5.503 1.00 0.00 H ATOM 1053 H SER T 69 89.899 -5.395 8.388 1.00 0.00 H ATOM 1054 N GLY T 70 91.072 -3.819 7.111 1.00 0.00 N ATOM 1055 CA GLY T 70 91.142 -2.515 6.462 1.00 0.00 C ATOM 1056 C GLY T 70 91.057 -2.655 4.946 1.00 0.00 C ATOM 1057 O GLY T 70 91.921 -2.164 4.219 1.00 0.00 O ATOM 1058 HA3 GLY T 70 92.086 -2.036 6.724 1.00 0.00 H ATOM 1059 HA2 GLY T 70 90.314 -1.898 6.810 1.00 0.00 H ATOM 1060 H GLY T 70 90.302 -4.016 7.781 1.00 0.00 H ATOM 1061 N THR T 71 90.010 -3.327 4.475 1.00 0.00 N ATOM 1062 CA THR T 71 89.817 -3.527 3.041 1.00 0.00 C ATOM 1063 C THR T 71 88.335 -3.697 2.721 1.00 0.00 C ATOM 1064 O THR T 71 87.506 -3.821 3.623 1.00 0.00 O ATOM 1065 CB THR T 71 90.585 -4.768 2.576 1.00 0.00 C ATOM 1066 OG1 THR T 71 90.189 -5.886 3.359 1.00 0.00 O ATOM 1067 CG2 THR T 71 92.089 -4.537 2.738 1.00 0.00 C ATOM 1068 HA THR T 71 90.195 -2.649 2.517 1.00 0.00 H ATOM 1069 HB THR T 71 90.363 -4.959 1.526 1.00 0.00 H ATOM 1070 HG1 THR T 71 90.391 -5.708 4.312 1.00 0.00 H ATOM 1071 HG23 THR T 71 92.390 -3.679 2.137 1.00 0.00 H ATOM 1072 HG21 THR T 71 92.315 -4.344 3.787 1.00 0.00 H ATOM 1073 HG22 THR T 71 92.629 -5.423 2.405 1.00 0.00 H ATOM 1074 H THR T 71 89.314 -3.718 5.142 1.00 0.00 H ATOM 1075 N VAL T 72 88.009 -3.701 1.430 1.00 0.00 N ATOM 1076 CA VAL T 72 86.621 -3.855 0.991 1.00 0.00 C ATOM 1077 C VAL T 72 86.558 -4.637 -0.317 1.00 0.00 C ATOM 1078 O VAL T 72 86.517 -4.053 -1.400 1.00 0.00 O ATOM 1079 CB VAL T 72 85.982 -2.477 0.795 1.00 0.00 C ATOM 1080 CG1 VAL T 72 84.547 -2.641 0.285 1.00 0.00 C ATOM 1081 CG2 VAL T 72 85.966 -1.732 2.131 1.00 0.00 C ATOM 1082 HA VAL T 72 86.074 -4.405 1.757 1.00 0.00 H ATOM 1083 HB VAL T 72 86.560 -1.910 0.066 1.00 0.00 H ATOM 1084 HG11 VAL T 72 84.559 -3.173 -0.666 1.00 0.00 H ATOM 1085 HG12 VAL T 72 83.967 -3.209 1.012 1.00 0.00 H ATOM 1086 HG13 VAL T 72 84.097 -1.658 0.147 1.00 0.00 H ATOM 1087 HG21 VAL T 72 85.387 -2.303 2.857 1.00 0.00 H ATOM 1088 HG22 VAL T 72 86.988 -1.613 2.491 1.00 0.00 H ATOM 1089 HG23 VAL T 72 85.511 -0.751 1.993 1.00 0.00 H ATOM 1090 H VAL T 72 88.758 -3.592 0.717 1.00 0.00 H ATOM 1091 N ASP T 73 86.550 -5.962 -0.207 1.00 0.00 N ATOM 1092 CA ASP T 73 86.488 -6.818 -1.388 1.00 0.00 C ATOM 1093 C ASP T 73 85.049 -6.940 -1.880 1.00 0.00 C ATOM 1094 O ASP T 73 84.108 -6.605 -1.161 1.00 0.00 O ATOM 1095 CB ASP T 73 87.038 -8.207 -1.057 1.00 0.00 C ATOM 1096 CG ASP T 73 86.443 -8.706 0.255 1.00 0.00 C ATOM 1097 OD1 ASP T 73 85.493 -8.099 0.721 1.00 0.00 O ATOM 1098 OD2 ASP T 73 86.945 -9.689 0.775 1.00 0.00 O ATOM 1099 HA ASP T 73 87.094 -6.369 -2.175 1.00 0.00 H ATOM 1100 HB2 ASP T 73 86.777 -8.899 -1.858 1.00 0.00 H ATOM 1101 HB3 ASP T 73 88.123 -8.153 -0.964 1.00 0.00 H ATOM 1102 H ASP T 73 86.589 -6.396 0.737 1.00 0.00 H ATOM 1103 N PHE T 74 84.886 -7.419 -3.108 1.00 0.00 N ATOM 1104 CA PHE T 74 83.555 -7.578 -3.686 1.00 0.00 C ATOM 1105 C PHE T 74 82.662 -8.410 -2.769 1.00 0.00 C ATOM 1106 O PHE T 74 81.467 -8.562 -3.024 1.00 0.00 O ATOM 1107 CB PHE T 74 83.658 -8.255 -5.054 1.00 0.00 C ATOM 1108 CG PHE T 74 82.300 -8.263 -5.715 1.00 0.00 C ATOM 1109 CD1 PHE T 74 81.807 -7.098 -6.314 1.00 0.00 C ATOM 1110 CD2 PHE T 74 81.532 -9.435 -5.728 1.00 0.00 C ATOM 1111 CE1 PHE T 74 80.549 -7.104 -6.927 1.00 0.00 C ATOM 1112 CE2 PHE T 74 80.273 -9.440 -6.340 1.00 0.00 C ATOM 1113 CZ PHE T 74 79.781 -8.275 -6.940 1.00 0.00 C ATOM 1114 HA PHE T 74 83.111 -6.589 -3.801 1.00 0.00 H ATOM 1115 HB2 PHE T 74 84.363 -7.707 -5.679 1.00 0.00 H ATOM 1116 HB3 PHE T 74 84.007 -9.280 -4.927 1.00 0.00 H ATOM 1117 HD2 PHE T 74 81.915 -10.343 -5.262 1.00 0.00 H ATOM 1118 HE2 PHE T 74 79.675 -10.352 -6.349 1.00 0.00 H ATOM 1119 HZ PHE T 74 78.801 -8.279 -7.417 1.00 0.00 H ATOM 1120 HE1 PHE T 74 80.167 -6.197 -7.395 1.00 0.00 H ATOM 1121 HD1 PHE T 74 82.403 -6.186 -6.303 1.00 0.00 H ATOM 1122 H PHE T 74 85.721 -7.685 -3.668 1.00 0.00 H ATOM 1123 N ASP T 75 83.248 -8.949 -1.705 1.00 0.00 N ATOM 1124 CA ASP T 75 82.494 -9.767 -0.759 1.00 0.00 C ATOM 1125 C ASP T 75 81.710 -8.890 0.214 1.00 0.00 C ATOM 1126 O ASP T 75 80.582 -8.488 -0.068 1.00 0.00 O ATOM 1127 CB ASP T 75 83.448 -10.671 0.023 1.00 0.00 C ATOM 1128 CG ASP T 75 84.097 -11.682 -0.917 1.00 0.00 C ATOM 1129 OD1 ASP T 75 83.366 -12.403 -1.575 1.00 0.00 O ATOM 1130 OD2 ASP T 75 85.316 -11.719 -0.965 1.00 0.00 O ATOM 1131 HA ASP T 75 81.789 -10.378 -1.322 1.00 0.00 H ATOM 1132 HB2 ASP T 75 84.223 -10.062 0.489 1.00 0.00 H ATOM 1133 HB3 ASP T 75 82.891 -11.202 0.795 1.00 0.00 H ATOM 1134 H ASP T 75 84.262 -8.785 -1.543 1.00 0.00 H ATOM 1135 N GLU T 76 82.314 -8.605 1.363 1.00 0.00 N ATOM 1136 CA GLU T 76 81.663 -7.782 2.378 1.00 0.00 C ATOM 1137 C GLU T 76 81.066 -6.521 1.758 1.00 0.00 C ATOM 1138 O GLU T 76 80.285 -5.816 2.398 1.00 0.00 O ATOM 1139 CB GLU T 76 82.672 -7.398 3.466 1.00 0.00 C ATOM 1140 CG GLU T 76 83.695 -6.407 2.900 1.00 0.00 C ATOM 1141 CD GLU T 76 84.919 -6.344 3.808 1.00 0.00 C ATOM 1142 OE1 GLU T 76 85.720 -7.263 3.755 1.00 0.00 O ATOM 1143 OE2 GLU T 76 85.038 -5.377 4.543 1.00 0.00 O ATOM 1144 HA GLU T 76 80.855 -8.363 2.822 1.00 0.00 H ATOM 1145 HB2 GLU T 76 82.145 -6.937 4.302 1.00 0.00 H ATOM 1146 HB3 GLU T 76 83.189 -8.293 3.813 1.00 0.00 H ATOM 1147 HG2 GLU T 76 84.000 -6.731 1.905 1.00 0.00 H ATOM 1148 HG3 GLU T 76 83.242 -5.418 2.835 1.00 0.00 H ATOM 1149 H GLU T 76 83.269 -8.975 1.543 1.00 0.00 H ATOM 1150 N PHE T 77 81.436 -6.241 0.513 1.00 0.00 N ATOM 1151 CA PHE T 77 80.924 -5.060 -0.174 1.00 0.00 C ATOM 1152 C PHE T 77 79.412 -5.157 -0.351 1.00 0.00 C ATOM 1153 O PHE T 77 78.666 -4.298 0.120 1.00 0.00 O ATOM 1154 CB PHE T 77 81.593 -4.921 -1.544 1.00 0.00 C ATOM 1155 CG PHE T 77 81.002 -3.737 -2.276 1.00 0.00 C ATOM 1156 CD1 PHE T 77 81.278 -2.436 -1.838 1.00 0.00 C ATOM 1157 CD2 PHE T 77 80.180 -3.938 -3.393 1.00 0.00 C ATOM 1158 CE1 PHE T 77 80.734 -1.338 -2.515 1.00 0.00 C ATOM 1159 CE2 PHE T 77 79.635 -2.840 -4.070 1.00 0.00 C ATOM 1160 CZ PHE T 77 79.912 -1.540 -3.631 1.00 0.00 C ATOM 1161 HA PHE T 77 81.152 -4.183 0.432 1.00 0.00 H ATOM 1162 HB2 PHE T 77 82.664 -4.769 -1.412 1.00 0.00 H ATOM 1163 HB3 PHE T 77 81.425 -5.828 -2.124 1.00 0.00 H ATOM 1164 HD2 PHE T 77 79.965 -4.950 -3.735 1.00 0.00 H ATOM 1165 HE2 PHE T 77 78.995 -2.998 -4.938 1.00 0.00 H ATOM 1166 HZ PHE T 77 79.488 -0.685 -4.158 1.00 0.00 H ATOM 1167 HE1 PHE T 77 80.950 -0.326 -2.174 1.00 0.00 H ATOM 1168 HD1 PHE T 77 81.917 -2.278 -0.969 1.00 0.00 H ATOM 1169 H PHE T 77 82.100 -6.873 0.021 1.00 0.00 H ATOM 1170 N LEU T 78 78.967 -6.208 -1.031 1.00 0.00 N ATOM 1171 CA LEU T 78 77.540 -6.407 -1.263 1.00 0.00 C ATOM 1172 C LEU T 78 76.760 -6.228 0.036 1.00 0.00 C ATOM 1173 O LEU T 78 75.707 -5.591 0.056 1.00 0.00 O ATOM 1174 CB LEU T 78 77.288 -7.810 -1.822 1.00 0.00 C ATOM 1175 CG LEU T 78 78.139 -8.036 -3.079 1.00 0.00 C ATOM 1176 CD1 LEU T 78 78.054 -9.510 -3.485 1.00 0.00 C ATOM 1177 CD2 LEU T 78 77.626 -7.157 -4.232 1.00 0.00 C ATOM 1178 HA LEU T 78 77.202 -5.665 -1.986 1.00 0.00 H ATOM 1179 HB2 LEU T 78 77.553 -8.552 -1.069 1.00 0.00 H ATOM 1180 HB3 LEU T 78 76.233 -7.913 -2.077 1.00 0.00 H ATOM 1181 HG LEU T 78 79.174 -7.769 -2.864 1.00 0.00 H ATOM 1182 HD21 LEU T 78 76.590 -7.415 -4.451 1.00 0.00 H ATOM 1183 HD22 LEU T 78 77.687 -6.108 -3.942 1.00 0.00 H ATOM 1184 HD23 LEU T 78 78.239 -7.327 -5.117 1.00 0.00 H ATOM 1185 HD11 LEU T 78 78.429 -10.132 -2.672 1.00 0.00 H ATOM 1186 HD12 LEU T 78 77.016 -9.769 -3.693 1.00 0.00 H ATOM 1187 HD13 LEU T 78 78.657 -9.675 -4.378 1.00 0.00 H ATOM 1188 H LEU T 78 79.647 -6.901 -1.404 1.00 0.00 H ATOM 1189 N VAL T 79 77.284 -6.794 1.118 1.00 0.00 N ATOM 1190 CA VAL T 79 76.628 -6.689 2.416 1.00 0.00 C ATOM 1191 C VAL T 79 76.307 -5.233 2.737 1.00 0.00 C ATOM 1192 O VAL T 79 75.182 -4.903 3.114 1.00 0.00 O ATOM 1193 CB VAL T 79 77.532 -7.268 3.506 1.00 0.00 C ATOM 1194 CG1 VAL T 79 76.802 -7.231 4.849 1.00 0.00 C ATOM 1195 CG2 VAL T 79 77.886 -8.715 3.158 1.00 0.00 C ATOM 1196 HA VAL T 79 75.697 -7.254 2.379 1.00 0.00 H ATOM 1197 HB VAL T 79 78.445 -6.676 3.573 1.00 0.00 H ATOM 1198 HG11 VAL T 79 76.550 -6.200 5.096 1.00 0.00 H ATOM 1199 HG12 VAL T 79 75.889 -7.823 4.781 1.00 0.00 H ATOM 1200 HG13 VAL T 79 77.448 -7.644 5.624 1.00 0.00 H ATOM 1201 HG21 VAL T 79 76.972 -9.305 3.091 1.00 0.00 H ATOM 1202 HG22 VAL T 79 78.407 -8.740 2.201 1.00 0.00 H ATOM 1203 HG23 VAL T 79 78.530 -9.127 3.935 1.00 0.00 H ATOM 1204 H VAL T 79 78.177 -7.321 1.038 1.00 0.00 H ATOM 1205 N MET T 80 77.302 -4.365 2.583 1.00 0.00 N ATOM 1206 CA MET T 80 77.115 -2.945 2.859 1.00 0.00 C ATOM 1207 C MET T 80 75.826 -2.439 2.215 1.00 0.00 C ATOM 1208 O MET T 80 74.954 -1.897 2.893 1.00 0.00 O ATOM 1209 CB MET T 80 78.306 -2.147 2.318 1.00 0.00 C ATOM 1210 CG MET T 80 78.267 -0.710 2.854 1.00 0.00 C ATOM 1211 SD MET T 80 79.197 0.372 1.740 1.00 0.00 S ATOM 1212 CE MET T 80 80.855 -0.087 2.300 1.00 0.00 C ATOM 1213 HA MET T 80 77.046 -2.809 3.938 1.00 0.00 H ATOM 1214 HB2 MET T 80 79.233 -2.625 2.634 1.00 0.00 H ATOM 1215 HB3 MET T 80 78.262 -2.127 1.229 1.00 0.00 H ATOM 1216 HG2 MET T 80 78.714 -0.680 3.848 1.00 0.00 H ATOM 1217 HG3 MET T 80 77.233 -0.371 2.912 1.00 0.00 H ATOM 1218 HE1 MET T 80 80.956 0.144 3.361 1.00 0.00 H ATOM 1219 HE2 MET T 80 81.008 -1.155 2.143 1.00 0.00 H ATOM 1220 HE3 MET T 80 81.597 0.475 1.733 1.00 0.00 H ATOM 1221 H MET T 80 78.230 -4.704 2.260 1.00 0.00 H ATOM 1222 N MET T 81 75.716 -2.618 0.902 1.00 0.00 N ATOM 1223 CA MET T 81 74.530 -2.172 0.177 1.00 0.00 C ATOM 1224 C MET T 81 73.277 -2.846 0.729 1.00 0.00 C ATOM 1225 O MET T 81 72.347 -2.175 1.177 1.00 0.00 O ATOM 1226 CB MET T 81 74.671 -2.499 -1.312 1.00 0.00 C ATOM 1227 CG MET T 81 75.712 -1.575 -1.948 1.00 0.00 C ATOM 1228 SD MET T 81 77.350 -1.962 -1.281 1.00 0.00 S ATOM 1229 CE MET T 81 78.021 -0.281 -1.305 1.00 0.00 C ATOM 1230 HA MET T 81 74.436 -1.094 0.305 1.00 0.00 H ATOM 1231 HB2 MET T 81 74.988 -3.536 -1.427 1.00 0.00 H ATOM 1232 HB3 MET T 81 73.710 -2.357 -1.807 1.00 0.00 H ATOM 1233 HG2 MET T 81 75.463 -0.538 -1.723 1.00 0.00 H ATOM 1234 HG3 MET T 81 75.716 -1.720 -3.028 1.00 0.00 H ATOM 1235 HE1 MET T 81 78.016 0.096 -2.328 1.00 0.00 H ATOM 1236 HE2 MET T 81 77.407 0.363 -0.676 1.00 0.00 H ATOM 1237 HE3 MET T 81 79.043 -0.294 -0.926 1.00 0.00 H ATOM 1238 H MET T 81 76.488 -3.083 0.383 1.00 0.00 H ATOM 1239 N VAL T 82 73.257 -4.175 0.689 1.00 0.00 N ATOM 1240 CA VAL T 82 72.109 -4.930 1.183 1.00 0.00 C ATOM 1241 C VAL T 82 71.615 -4.361 2.511 1.00 0.00 C ATOM 1242 O VAL T 82 70.410 -4.246 2.737 1.00 0.00 O ATOM 1243 CB VAL T 82 72.491 -6.399 1.368 1.00 0.00 C ATOM 1244 CG1 VAL T 82 71.303 -7.168 1.948 1.00 0.00 C ATOM 1245 CG2 VAL T 82 72.872 -6.999 0.012 1.00 0.00 C ATOM 1246 HA VAL T 82 71.307 -4.850 0.449 1.00 0.00 H ATOM 1247 HB VAL T 82 73.337 -6.471 2.051 1.00 0.00 H ATOM 1248 HG11 VAL T 82 71.030 -6.739 2.912 1.00 0.00 H ATOM 1249 HG12 VAL T 82 70.457 -7.096 1.265 1.00 0.00 H ATOM 1250 HG13 VAL T 82 71.578 -8.215 2.079 1.00 0.00 H ATOM 1251 HG21 VAL T 82 72.023 -6.925 -0.668 1.00 0.00 H ATOM 1252 HG22 VAL T 82 73.719 -6.451 -0.401 1.00 0.00 H ATOM 1253 HG23 VAL T 82 73.144 -8.046 0.143 1.00 0.00 H ATOM 1254 H VAL T 82 74.074 -4.686 0.299 1.00 0.00 H ATOM 1255 N ARG T 83 72.551 -4.006 3.384 1.00 0.00 N ATOM 1256 CA ARG T 83 72.196 -3.451 4.685 1.00 0.00 C ATOM 1257 C ARG T 83 71.495 -2.105 4.520 1.00 0.00 C ATOM 1258 O ARG T 83 70.288 -1.993 4.734 1.00 0.00 O ATOM 1259 CB ARG T 83 73.453 -3.272 5.539 1.00 0.00 C ATOM 1260 CG ARG T 83 73.952 -4.641 6.008 1.00 0.00 C ATOM 1261 CD ARG T 83 75.303 -4.480 6.708 1.00 0.00 C ATOM 1262 NE ARG T 83 75.193 -3.523 7.803 1.00 0.00 N ATOM 1263 CZ ARG T 83 76.269 -2.925 8.304 1.00 0.00 C ATOM 1264 NH1 ARG T 83 77.450 -3.188 7.813 1.00 0.00 N ATOM 1265 NH2 ARG T 83 76.146 -2.073 9.285 1.00 0.00 N ATOM 1266 HA ARG T 83 71.517 -4.144 5.181 1.00 0.00 H ATOM 1267 HB2 ARG T 83 74.228 -2.786 4.947 1.00 0.00 H ATOM 1268 HB3 ARG T 83 73.219 -2.654 6.406 1.00 0.00 H ATOM 1269 HG2 ARG T 83 73.231 -5.072 6.703 1.00 0.00 H ATOM 1270 HG3 ARG T 83 74.065 -5.301 5.148 1.00 0.00 H ATOM 1271 HD2 ARG T 83 76.041 -4.122 5.990 1.00 0.00 H ATOM 1272 HD3 ARG T 83 75.621 -5.445 7.103 1.00 0.00 H ATOM 1273 HE ARG T 83 74.256 -3.305 8.199 1.00 0.00 H ATOM 1274 HH12 ARG T 83 78.292 -2.720 8.205 1.00 0.00 H ATOM 1275 HH11 ARG T 83 77.549 -3.865 7.030 1.00 0.00 H ATOM 1276 HH22 ARG T 83 76.989 -1.606 9.676 1.00 0.00 H ATOM 1277 HH21 ARG T 83 75.205 -1.862 9.675 1.00 0.00 H ATOM 1278 H ARG T 83 73.554 -4.126 3.136 1.00 0.00 H ATOM 1279 N SER T 84 72.261 -1.088 4.139 1.00 0.00 N ATOM 1280 CA SER T 84 71.704 0.246 3.949 1.00 0.00 C ATOM 1281 C SER T 84 70.408 0.179 3.147 1.00 0.00 C ATOM 1282 O SER T 84 69.489 0.968 3.368 1.00 0.00 O ATOM 1283 CB SER T 84 72.712 1.133 3.218 1.00 0.00 C ATOM 1284 OG SER T 84 73.939 1.139 3.936 1.00 0.00 O ATOM 1285 HA SER T 84 71.489 0.671 4.929 1.00 0.00 H ATOM 1286 HB2 SER T 84 72.323 2.149 3.152 1.00 0.00 H ATOM 1287 HB3 SER T 84 72.879 0.744 2.214 1.00 0.00 H ATOM 1288 HG SER T 84 74.290 0.215 3.994 1.00 0.00 H ATOM 1289 H SER T 84 73.275 -1.246 3.973 1.00 0.00 H ATOM 1290 N MET T 85 70.341 -0.766 2.216 1.00 0.00 N ATOM 1291 CA MET T 85 69.152 -0.925 1.387 1.00 0.00 C ATOM 1292 C MET T 85 67.976 -1.420 2.223 1.00 0.00 C ATOM 1293 O MET T 85 67.055 -0.662 2.527 1.00 0.00 O ATOM 1294 CB MET T 85 69.432 -1.919 0.257 1.00 0.00 C ATOM 1295 CG MET T 85 70.349 -1.269 -0.782 1.00 0.00 C ATOM 1296 SD MET T 85 69.401 -0.086 -1.769 1.00 0.00 S ATOM 1297 CE MET T 85 70.743 0.413 -2.876 1.00 0.00 C ATOM 1298 HA MET T 85 68.897 0.046 0.962 1.00 0.00 H ATOM 1299 HB2 MET T 85 69.917 -2.806 0.665 1.00 0.00 H ATOM 1300 HB3 MET T 85 68.493 -2.205 -0.216 1.00 0.00 H ATOM 1301 HG2 MET T 85 70.762 -2.038 -1.435 1.00 0.00 H ATOM 1302 HG3 MET T 85 71.162 -0.750 -0.275 1.00 0.00 H ATOM 1303 HE1 MET T 85 71.555 0.843 -2.290 1.00 0.00 H ATOM 1304 HE2 MET T 85 71.107 -0.459 -3.419 1.00 0.00 H ATOM 1305 HE3 MET T 85 70.372 1.155 -3.583 1.00 0.00 H ATOM 1306 H MET T 85 71.151 -1.404 2.076 1.00 0.00 H ATOM 1307 N LYS T 86 68.014 -2.697 2.591 1.00 0.00 N ATOM 1308 CA LYS T 86 66.945 -3.283 3.392 1.00 0.00 C ATOM 1309 C LYS T 86 66.696 -2.453 4.647 1.00 0.00 C ATOM 1310 O LYS T 86 65.630 -2.537 5.257 1.00 0.00 O ATOM 1311 CB LYS T 86 67.314 -4.713 3.789 1.00 0.00 C ATOM 1312 CG LYS T 86 66.082 -5.419 4.359 1.00 0.00 C ATOM 1313 CD LYS T 86 66.420 -6.882 4.651 1.00 0.00 C ATOM 1314 CE LYS T 86 65.154 -7.624 5.080 1.00 0.00 C ATOM 1315 NZ LYS T 86 64.450 -6.838 6.132 1.00 0.00 N ATOM 1316 HA LYS T 86 66.034 -3.295 2.793 1.00 0.00 H ATOM 1317 HB2 LYS T 86 67.669 -5.254 2.912 1.00 0.00 H ATOM 1318 HB3 LYS T 86 68.101 -4.689 4.543 1.00 0.00 H ATOM 1319 HG2 LYS T 86 65.775 -4.926 5.281 1.00 0.00 H ATOM 1320 HG3 LYS T 86 65.269 -5.372 3.635 1.00 0.00 H ATOM 1321 HD2 LYS T 86 66.827 -7.347 3.753 1.00 0.00 H ATOM 1322 HD3 LYS T 86 67.159 -6.931 5.451 1.00 0.00 H ATOM 1323 HE2 LYS T 86 65.423 -8.603 5.476 1.00 0.00 H ATOM 1324 HE3 LYS T 86 64.497 -7.750 4.219 1.00 0.00 H ATOM 1325 HZ1 LYS T 86 65.078 -6.719 6.953 1.00 0.00 H ATOM 1326 HZ2 LYS T 86 64.193 -5.904 5.752 1.00 0.00 H ATOM 1327 HZ3 LYS T 86 63.589 -7.344 6.423 1.00 0.00 H ATOM 1328 H LYS T 86 68.820 -3.288 2.303 1.00 0.00 H ATOM 1329 N ASP T 87 67.686 -1.651 5.028 1.00 0.00 N ATOM 1330 CA ASP T 87 67.561 -0.810 6.213 1.00 0.00 C ATOM 1331 C ASP T 87 68.573 0.331 6.171 1.00 0.00 C ATOM 1332 O ASP T 87 69.761 0.130 6.422 1.00 0.00 O ATOM 1333 CB ASP T 87 67.787 -1.648 7.473 1.00 0.00 C ATOM 1334 CG ASP T 87 66.607 -2.588 7.693 1.00 0.00 C ATOM 1335 OD1 ASP T 87 65.573 -2.115 8.136 1.00 0.00 O ATOM 1336 OD2 ASP T 87 66.754 -3.767 7.416 1.00 0.00 O ATOM 1337 HA ASP T 87 66.556 -0.388 6.231 1.00 0.00 H ATOM 1338 HB2 ASP T 87 68.699 -2.234 7.358 1.00 0.00 H ATOM 1339 HB3 ASP T 87 67.887 -0.987 8.334 1.00 0.00 H ATOM 1340 H ASP T 87 68.564 -1.623 4.472 1.00 0.00 H ATOM 1341 N ASP T 88 68.093 1.528 5.852 1.00 0.00 N ATOM 1342 CA ASP T 88 68.964 2.696 5.780 1.00 0.00 C ATOM 1343 C ASP T 88 69.259 3.230 7.179 1.00 0.00 C ATOM 1344 O ASP T 88 68.432 3.119 8.083 1.00 0.00 O ATOM 1345 CB ASP T 88 68.300 3.792 4.944 1.00 0.00 C ATOM 1346 CG ASP T 88 66.984 4.215 5.590 1.00 0.00 C ATOM 1347 OD1 ASP T 88 66.072 3.405 5.613 1.00 0.00 O ATOM 1348 OD2 ASP T 88 66.909 5.342 6.051 1.00 0.00 O ATOM 1349 HA ASP T 88 69.902 2.399 5.310 1.00 0.00 H ATOM 1350 HB2 ASP T 88 68.966 4.653 4.883 1.00 0.00 H ATOM 1351 HB3 ASP T 88 68.105 3.413 3.941 1.00 0.00 H ATOM 1352 H ASP T 88 67.078 1.634 5.650 1.00 0.00 H ATOM 1353 N SER T 89 70.444 3.808 7.348 1.00 0.00 N ATOM 1354 CA SER T 89 70.837 4.355 8.641 1.00 0.00 C ATOM 1355 C SER T 89 72.082 5.225 8.499 1.00 0.00 C ATOM 1356 O SER T 89 72.528 5.408 7.379 1.00 0.00 O ATOM 1357 CB SER T 89 71.116 3.219 9.625 1.00 0.00 C ATOM 1358 OG SER T 89 72.313 2.552 9.246 1.00 0.00 O ATOM 1359 HA SER T 89 70.019 4.970 9.018 1.00 0.00 H ATOM 1360 OXT SER T 89 72.570 5.696 9.513 1.00 0.00 O ATOM 1361 HB2 SER T 89 70.286 2.513 9.611 1.00 0.00 H ATOM 1362 HB3 SER T 89 71.228 3.627 10.630 1.00 0.00 H ATOM 1363 HG SER T 89 73.066 3.195 9.259 1.00 0.00 H ATOM 1364 H SER T 89 71.102 3.871 6.545 1.00 0.00 H TER 1365 SER T 89 HETATM 1366 CA CA A 1 87.635 -6.027 5.344 1.00 0.00 CA HETATM 1367 S1 WW A 7 80.512 3.546 -4.684 1.00 0.07 S HETATM 1368 O1 WW A 7 81.122 3.144 -5.908 1.00 -0.15 O HETATM 1369 O2 WW A 7 80.001 4.894 -4.624 1.00 -0.15 O HETATM 1370 N1 WW A 7 79.172 2.468 -4.424 1.00 -0.25 N HETATM 1371 C11 WW A 7 77.886 3.073 -4.085 1.00 0.03 C HETATM 1372 C12 WW A 7 77.457 2.847 -2.636 1.00 -0.04 C HETATM 1373 C13 WW A 7 78.296 3.717 -1.700 1.00 -0.05 C HETATM 1374 C14 WW A 7 79.217 2.836 -0.856 1.00 -0.05 C HETATM 1375 C15 WW A 7 79.249 3.353 0.586 1.00 -0.01 C HETATM 1376 C16 WW A 7 80.650 3.166 1.177 1.00 -0.04 C HETATM 1377 N2 WW A 7 81.266 4.421 1.576 1.00 0.22 N HETATM 1378 H20 WW A 7 82.182 4.240 1.956 1.00 0.20 H HETATM 1379 H21 WW A 7 80.694 4.869 2.275 1.00 0.20 H HETATM 1380 H22 WW A 7 81.349 5.025 0.773 1.00 0.20 H HETATM 1381 H18 WW A 7 81.289 2.686 0.421 1.00 0.08 H HETATM 1382 H19 WW A 7 80.575 2.515 2.061 1.00 0.08 H HETATM 1383 H16 WW A 7 78.521 2.793 1.190 1.00 0.03 H HETATM 1384 H17 WW A 7 78.989 4.422 0.596 1.00 0.03 H HETATM 1385 H12 WW A 7 80.233 2.862 -1.276 1.00 0.03 H HETATM 1386 H13 WW A 7 78.843 1.802 -0.865 1.00 0.03 H HETATM 1387 H14 WW A 7 77.629 4.288 -1.037 1.00 0.03 H HETATM 1388 H15 WW A 7 78.904 4.413 -2.296 1.00 0.03 H HETATM 1389 H10 WW A 7 77.600 1.788 -2.375 1.00 0.03 H HETATM 1390 H11 WW A 7 76.395 3.112 -2.525 1.00 0.03 H HETATM 1391 H8 WW A 7 77.117 2.644 -4.745 1.00 0.05 H HETATM 1392 H9 WW A 7 77.956 4.157 -4.260 1.00 0.05 H HETATM 1393 H1 WW A 7 79.277 1.477 -4.503 1.00 0.17 H HETATM 1394 C1 WW A 7 81.658 3.338 -3.357 1.00 0.12 C HETATM 1395 C2 WW A 7 81.780 4.397 -2.363 1.00 -0.03 C HETATM 1396 C3 WW A 7 82.707 4.262 -1.239 1.00 -0.06 C HETATM 1397 C4 WW A 7 83.531 3.074 -1.090 1.00 -0.05 C HETATM 1398 C10 WW A 7 83.433 2.003 -2.075 1.00 -0.00 C HETATM 1399 C9 WW A 7 82.473 2.137 -3.240 1.00 0.01 C HETATM 1400 C8 WW A 7 82.369 1.060 -4.218 1.00 -0.05 C HETATM 1401 C7 WW A 7 83.188 -0.134 -4.065 1.00 -0.06 C HETATM 1402 C6 WW A 7 84.116 -0.270 -2.940 1.00 -0.05 C HETATM 1403 C5 WW A 7 84.236 0.793 -1.953 1.00 0.05 C HETATM 1404 CL1 WW A 7 85.340 0.544 -0.648 1.00 -0.07 CL HETATM 1405 H5 WW A 7 84.717 -1.167 -2.842 1.00 0.06 H HETATM 1406 H6 WW A 7 83.110 -0.933 -4.793 1.00 0.06 H HETATM 1407 H7 WW A 7 81.685 1.148 -5.055 1.00 0.06 H HETATM 1408 H2 WW A 7 84.214 2.985 -0.253 1.00 0.06 H HETATM 1409 H3 WW A 7 82.780 5.059 -0.508 1.00 0.06 H HETATM 1410 H4 WW A 7 81.178 5.293 -2.457 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1048 1047 1052 1366 CONECT 1366 1048 CONECT 1367 1368 1369 1370 1394 CONECT 1368 1367 CONECT 1369 1367 CONECT 1370 1367 1371 1393 CONECT 1371 1370 1372 1391 1392 CONECT 1372 1371 1373 1389 1390 CONECT 1373 1372 1374 1387 1388 CONECT 1374 1373 1375 1385 1386 CONECT 1375 1374 1376 1383 1384 CONECT 1376 1375 1377 1381 1382 CONECT 1377 1376 1378 1379 1380 CONECT 1378 1377 CONECT 1379 1377 CONECT 1380 1377 CONECT 1381 1376 CONECT 1382 1376 CONECT 1383 1375 CONECT 1384 1375 CONECT 1385 1374 CONECT 1386 1374 CONECT 1387 1373 CONECT 1388 1373 CONECT 1389 1372 CONECT 1390 1372 CONECT 1391 1371 CONECT 1392 1371 CONECT 1393 1370 CONECT 1394 1367 1395 1399 CONECT 1395 1394 1396 1410 CONECT 1396 1395 1397 1409 CONECT 1397 1396 1398 1408 CONECT 1398 1397 1399 1403 CONECT 1399 1394 1398 1400 CONECT 1400 1399 1401 1407 CONECT 1401 1400 1402 1406 CONECT 1402 1401 1403 1405 CONECT 1403 1398 1402 1404 CONECT 1404 1403 CONECT 1405 1402 CONECT 1406 1401 CONECT 1407 1400 CONECT 1408 1397 CONECT 1409 1396 CONECT 1410 1395 MASTER 0 0 0 0 0 0 0 0 1409 1 50 7 END
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Related entries of code: 2kfx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1lxf
RCSB PDB
PDBbind
17aa, >1LXF_2|Chain... at 100%
1mxl
RCSB PDB
PDBbind
17aa, >1MXL_2|Chain... at 100%
2krd
RCSB PDB
PDBbind
17aa, >2KRD_2|Chain... at 100%
2l1r
RCSB PDB
PDBbind
20aa, >2L1R_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
6mv3
RCSB PDB
PDBbind
WW7
Entry Information
PDB ID
2kfx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
N-terminal domain of human cardiac troponin C
Ligand Name
WW7
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=100uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Biochemistry Vol. 48: pp. 5541-5552
Ligand Properties
Formula
C
1
6
H
2
2
ClN
2
O
2
S
Molecular Weight
341.876
Exact Mass
341.109
No. of atoms
44
No. of bonds
45
Polar Surface Area
82.19
LOGP Value
3.25 (
Computed with XLOGP3
)
4.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
[NH3+]CCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl
InChI String
InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2/p+1
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):
P63316
Entrez Gene ID
NCBI Entrez Gene ID:
7134
ASD
Information of known allosteric effects of PDB entries
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