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LK7B_1nm_tip4p.pdb
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LK7B_1nm_tip4p.pdb
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SHEET 1 1 1 LYS A 3 LYS A 7 0
SHEET 2 2 1 LYS A 12 LYS A 16 0
SHEET 3 3 1 LYS A 21 LYS A 25 0
SHEET 4 4 1 LEU A 29 LYS A 34 0
SHEET 5 5 1 LEU A 40 LEU A 44 0
CRYST1 45.108 45.108 45.108 90.00 90.00 90.00 P 1 1
HETATM 1 CH3 ACE A 1 22.932 36.920 44.861 1.00 0.00 A C
HETATM 2 H1 ACE A 1 23.179 37.052 45.914 1.00 0.00 A H
HETATM 3 H2 ACE A 1 23.276 37.768 44.269 1.00 0.00 A H
HETATM 4 H3 ACE A 1 23.364 35.957 44.586 1.00 0.00 A H
HETATM 5 C ACE A 1 21.463 36.659 44.779 1.00 0.00 A C
HETATM 6 O ACE A 1 21.081 35.476 44.811 1.00 0.00 A O
ATOM 7 N LEU A 2 20.733 37.752 44.619 1.00 0.00 A N
ATOM 8 H LEU A 2 21.202 38.612 44.370 1.00 0.00 A H
ATOM 9 CA LEU A 2 19.217 37.846 44.764 1.00 0.00 A C
ATOM 10 HA LEU A 2 18.911 36.809 44.900 1.00 0.00 A H
ATOM 11 CB LEU A 2 18.729 38.600 46.004 1.00 0.00 A C
ATOM 12 HB3 LEU A 2 19.153 37.969 46.785 1.00 0.00 A H
ATOM 13 HB2 LEU A 2 19.322 39.513 46.045 1.00 0.00 A H
ATOM 14 CG LEU A 2 17.160 38.790 46.155 1.00 0.00 A C
ATOM 15 HG LEU A 2 16.712 39.338 45.325 1.00 0.00 A H
ATOM 16 CD1 LEU A 2 16.499 37.391 46.335 1.00 0.00 A C
ATOM 17 HD11 LEU A 2 15.414 37.474 46.268 1.00 0.00 A H
ATOM 18 HD12 LEU A 2 16.879 36.555 45.748 1.00 0.00 A H
ATOM 19 HD13 LEU A 2 16.628 37.080 47.372 1.00 0.00 A H
ATOM 20 CD2 LEU A 2 16.923 39.757 47.189 1.00 0.00 A C
ATOM 21 HD21 LEU A 2 17.542 40.619 46.942 1.00 0.00 A H
ATOM 22 HD22 LEU A 2 15.868 40.030 47.195 1.00 0.00 A H
ATOM 23 HD23 LEU A 2 17.155 39.405 48.194 1.00 0.00 A H
ATOM 24 C LEU A 2 18.563 38.410 43.512 1.00 0.00 A C
ATOM 25 O LEU A 2 18.634 39.688 43.309 1.00 0.00 A O
ATOM 26 N LYS A 3 17.915 37.585 42.691 1.00 0.00 A N
ATOM 27 H LYS A 3 17.836 36.615 42.958 1.00 0.00 A H
ATOM 28 CA LYS A 3 16.870 38.026 41.817 1.00 0.00 A C
ATOM 29 HA LYS A 3 17.034 39.091 41.654 1.00 0.00 A H
ATOM 30 CB LYS A 3 16.833 37.216 40.479 1.00 0.00 A C
ATOM 31 HB3 LYS A 3 16.554 36.194 40.733 1.00 0.00 A H
ATOM 32 HB2 LYS A 3 16.011 37.682 39.935 1.00 0.00 A H
ATOM 33 CG LYS A 3 18.033 37.244 39.626 1.00 0.00 A C
ATOM 34 HG3 LYS A 3 18.135 38.315 39.446 1.00 0.00 A H
ATOM 35 HG2 LYS A 3 18.917 36.984 40.209 1.00 0.00 A H
ATOM 36 CD LYS A 3 18.015 36.423 38.264 1.00 0.00 A C
ATOM 37 HD3 LYS A 3 18.405 35.435 38.510 1.00 0.00 A H
ATOM 38 HD2 LYS A 3 16.972 36.300 37.969 1.00 0.00 A H
ATOM 39 CE LYS A 3 18.845 37.077 37.216 1.00 0.00 A C
ATOM 40 HE3 LYS A 3 18.495 38.080 36.971 1.00 0.00 A H
ATOM 41 HE2 LYS A 3 19.891 37.083 37.521 1.00 0.00 A H
ATOM 42 NZ LYS A 3 18.825 36.315 35.990 1.00 0.00 A N
ATOM 43 HZ1 LYS A 3 17.916 36.168 35.574 1.00 0.00 A H
ATOM 44 HZ2 LYS A 3 19.357 36.823 35.298 1.00 0.00 A H
ATOM 45 HZ3 LYS A 3 19.156 35.377 36.165 1.00 0.00 A H
ATOM 46 C LYS A 3 15.435 38.055 42.494 1.00 0.00 A C
ATOM 47 O LYS A 3 15.065 37.114 43.224 1.00 0.00 A O
ATOM 48 N LEU A 4 14.692 39.098 42.280 1.00 0.00 A N
ATOM 49 H LEU A 4 15.097 39.881 41.787 1.00 0.00 A H
ATOM 50 CA LEU A 4 13.363 39.213 42.918 1.00 0.00 A C
ATOM 51 HA LEU A 4 12.962 38.245 43.217 1.00 0.00 A H
ATOM 52 CB LEU A 4 13.539 39.803 44.309 1.00 0.00 A C
ATOM 53 HB3 LEU A 4 13.992 39.016 44.912 1.00 0.00 A H
ATOM 54 HB2 LEU A 4 14.115 40.725 44.233 1.00 0.00 A H
ATOM 55 CG LEU A 4 12.170 40.192 44.894 1.00 0.00 A C
ATOM 56 HG LEU A 4 11.755 40.946 44.225 1.00 0.00 A H
ATOM 57 CD1 LEU A 4 11.228 38.976 45.076 1.00 0.00 A C
ATOM 58 HD11 LEU A 4 11.041 38.581 44.078 1.00 0.00 A H
ATOM 59 HD12 LEU A 4 11.903 38.348 45.658 1.00 0.00 A H
ATOM 60 HD13 LEU A 4 10.339 39.363 45.574 1.00 0.00 A H
ATOM 61 CD2 LEU A 4 12.495 40.786 46.267 1.00 0.00 A C
ATOM 62 HD21 LEU A 4 12.922 41.769 46.069 1.00 0.00 A H
ATOM 63 HD22 LEU A 4 11.568 40.938 46.821 1.00 0.00 A H
ATOM 64 HD23 LEU A 4 13.124 40.097 46.831 1.00 0.00 A H
ATOM 65 C LEU A 4 12.365 40.049 41.966 1.00 0.00 A C
ATOM 66 O LEU A 4 12.453 41.282 41.874 1.00 0.00 A O
ATOM 67 N LYS A 5 11.358 39.447 41.367 1.00 0.00 A N
ATOM 68 H LYS A 5 11.302 38.443 41.454 1.00 0.00 A H
ATOM 69 CA LYS A 5 10.111 40.089 40.910 1.00 0.00 A C
ATOM 70 HA LYS A 5 10.226 41.173 40.883 1.00 0.00 A H
ATOM 71 CB LYS A 5 9.767 39.546 39.488 1.00 0.00 A C
ATOM 72 HB3 LYS A 5 9.552 38.478 39.529 1.00 0.00 A H
ATOM 73 HB2 LYS A 5 8.801 39.975 39.222 1.00 0.00 A H
ATOM 74 CG LYS A 5 10.770 39.641 38.330 1.00 0.00 A C
ATOM 75 HG3 LYS A 5 11.079 40.686 38.357 1.00 0.00 A H
ATOM 76 HG2 LYS A 5 11.586 38.996 38.656 1.00 0.00 A H
ATOM 77 CD LYS A 5 10.247 39.245 36.932 1.00 0.00 A C
ATOM 78 HD3 LYS A 5 10.092 38.166 36.899 1.00 0.00 A H
ATOM 79 HD2 LYS A 5 9.250 39.617 36.692 1.00 0.00 A H
ATOM 80 CE LYS A 5 11.184 39.893 35.853 1.00 0.00 A C
ATOM 81 HE3 LYS A 5 10.840 40.926 35.797 1.00 0.00 A H
ATOM 82 HE2 LYS A 5 12.199 39.848 36.247 1.00 0.00 A H
ATOM 83 NZ LYS A 5 11.119 39.158 34.507 1.00 0.00 A N
ATOM 84 HZ1 LYS A 5 11.204 38.154 34.586 1.00 0.00 A H
ATOM 85 HZ2 LYS A 5 10.238 39.329 34.043 1.00 0.00 A H
ATOM 86 HZ3 LYS A 5 11.933 39.487 34.010 1.00 0.00 A H
ATOM 87 C LYS A 5 8.968 39.884 41.859 1.00 0.00 A C
ATOM 88 O LYS A 5 8.621 38.722 42.147 1.00 0.00 A O
ATOM 89 N LEU A 6 8.154 40.951 42.200 1.00 0.00 A N
ATOM 90 H LEU A 6 8.386 41.873 41.861 1.00 0.00 A H
ATOM 91 CA LEU A 6 6.799 40.955 42.759 1.00 0.00 A C
ATOM 92 HA LEU A 6 6.357 39.989 42.515 1.00 0.00 A H
ATOM 93 CB LEU A 6 6.991 41.025 44.320 1.00 0.00 A C
ATOM 94 HB3 LEU A 6 7.787 40.349 44.634 1.00 0.00 A H
ATOM 95 HB2 LEU A 6 7.420 42.015 44.471 1.00 0.00 A H
ATOM 96 CG LEU A 6 5.660 40.863 45.186 1.00 0.00 A C
ATOM 97 HG LEU A 6 5.004 40.058 44.855 1.00 0.00 A H
ATOM 98 CD1 LEU A 6 6.255 40.493 46.557 1.00 0.00 A C
ATOM 99 HD11 LEU A 6 6.968 39.679 46.425 1.00 0.00 A H
ATOM 100 HD12 LEU A 6 6.722 41.402 46.936 1.00 0.00 A H
ATOM 101 HD13 LEU A 6 5.481 40.091 47.212 1.00 0.00 A H
ATOM 102 CD2 LEU A 6 4.873 42.155 45.412 1.00 0.00 A C
ATOM 103 HD21 LEU A 6 4.493 42.289 46.425 1.00 0.00 A H
ATOM 104 HD22 LEU A 6 5.509 43.015 45.201 1.00 0.00 A H
ATOM 105 HD23 LEU A 6 4.098 42.088 44.648 1.00 0.00 A H
ATOM 106 C LEU A 6 5.838 42.039 42.218 1.00 0.00 A C
ATOM 107 O LEU A 6 6.185 43.227 42.032 1.00 0.00 A O
ATOM 108 N LYS A 7 4.622 41.584 41.957 1.00 0.00 A N
ATOM 109 H LYS A 7 4.421 40.609 42.127 1.00 0.00 A H
ATOM 110 CA LYS A 7 3.415 42.368 41.625 1.00 0.00 A C
ATOM 111 HA LYS A 7 3.638 43.380 41.964 1.00 0.00 A H
ATOM 112 CB LYS A 7 3.072 42.408 40.099 1.00 0.00 A C
ATOM 113 HB3 LYS A 7 4.015 42.559 39.574 1.00 0.00 A H
ATOM 114 HB2 LYS A 7 2.539 41.481 39.886 1.00 0.00 A H
ATOM 115 CG LYS A 7 2.130 43.603 39.647 1.00 0.00 A C
ATOM 116 HG3 LYS A 7 1.735 43.241 38.697 1.00 0.00 A H
ATOM 117 HG2 LYS A 7 1.310 43.608 40.365 1.00 0.00 A H
ATOM 118 CD LYS A 7 2.841 44.984 39.579 1.00 0.00 A C
ATOM 119 HD3 LYS A 7 3.295 45.226 40.540 1.00 0.00 A H
ATOM 120 HD2 LYS A 7 3.652 44.844 38.863 1.00 0.00 A H
ATOM 121 CE LYS A 7 1.942 46.227 39.269 1.00 0.00 A C
ATOM 122 HE3 LYS A 7 1.400 46.012 38.349 1.00 0.00 A H
ATOM 123 HE2 LYS A 7 1.228 46.498 40.047 1.00 0.00 A H
ATOM 124 NZ LYS A 7 2.821 47.429 39.017 1.00 0.00 A N
ATOM 125 HZ1 LYS A 7 3.477 47.327 38.256 1.00 0.00 A H
ATOM 126 HZ2 LYS A 7 2.149 48.093 38.660 1.00 0.00 A H
ATOM 127 HZ3 LYS A 7 3.424 47.728 39.770 1.00 0.00 A H
ATOM 128 C LYS A 7 2.247 41.991 42.552 1.00 0.00 A C
ATOM 129 O LYS A 7 1.801 40.830 42.597 1.00 0.00 A O
ATOM 130 N LEU A 8 1.659 42.951 43.265 1.00 0.00 A N
ATOM 131 H LEU A 8 1.894 43.932 43.213 1.00 0.00 A H
ATOM 132 CA LEU A 8 0.755 42.727 44.343 1.00 0.00 A C
ATOM 133 HA LEU A 8 1.321 42.022 44.952 1.00 0.00 A H
ATOM 134 CB LEU A 8 0.702 44.075 45.035 1.00 0.00 A C
ATOM 135 HB3 LEU A 8 1.713 44.475 45.102 1.00 0.00 A H
ATOM 136 HB2 LEU A 8 0.030 44.800 44.575 1.00 0.00 A H
ATOM 137 CG LEU A 8 0.351 43.991 46.581 1.00 0.00 A C
ATOM 138 HG LEU A 8 -0.657 43.606 46.738 1.00 0.00 A H
ATOM 139 CD1 LEU A 8 1.391 43.132 47.378 1.00 0.00 A C
ATOM 140 HD11 LEU A 8 2.387 43.552 47.240 1.00 0.00 A H
ATOM 141 HD12 LEU A 8 1.164 43.171 48.443 1.00 0.00 A H
ATOM 142 HD13 LEU A 8 1.293 42.103 47.029 1.00 0.00 A H
ATOM 143 CD2 LEU A 8 0.324 45.373 47.232 1.00 0.00 A C
ATOM 144 HD21 LEU A 8 1.322 45.780 47.395 1.00 0.00 A H
ATOM 145 HD22 LEU A 8 -0.347 46.019 46.667 1.00 0.00 A H
ATOM 146 HD23 LEU A 8 -0.127 45.372 48.224 1.00 0.00 A H
ATOM 147 C LEU A 8 -0.648 42.125 43.900 1.00 0.00 A C
ATOM 148 O LEU A 8 -1.407 41.620 44.731 1.00 0.00 A O
HETATM 149 N NHE A 9 -1.116 42.085 42.653 1.00 0.00 A N
HETATM 150 HN1 NHE A 9 -2.052 41.707 42.616 1.00 0.00 A H
HETATM 151 HN2 NHE A 9 -0.704 42.628 41.908 1.00 0.00 A H
HETATM 152 CH3 ACE A 10 -3.571 39.402 39.982 1.00 0.00 A C
HETATM 153 H1 ACE A 10 -3.552 39.326 38.895 1.00 0.00 A H
HETATM 154 H2 ACE A 10 -3.670 40.469 40.182 1.00 0.00 A H
HETATM 155 H3 ACE A 10 -4.485 38.909 40.313 1.00 0.00 A H
HETATM 156 C ACE A 10 -2.315 38.903 40.585 1.00 0.00 A C
HETATM 157 O ACE A 10 -1.328 38.669 39.844 1.00 0.00 A O
ATOM 158 N LEU A 11 -2.213 38.748 41.904 1.00 0.00 A N
ATOM 159 H LEU A 11 -3.067 38.714 42.442 1.00 0.00 A H
ATOM 160 CA LEU A 11 -1.049 38.647 42.780 1.00 0.00 A C
ATOM 161 HA LEU A 11 -0.612 39.645 42.817 1.00 0.00 A H
ATOM 162 CB LEU A 11 -1.316 38.237 44.259 1.00 0.00 A C
ATOM 163 HB3 LEU A 11 -2.089 38.891 44.663 1.00 0.00 A H
ATOM 164 HB2 LEU A 11 -1.698 37.219 44.335 1.00 0.00 A H
ATOM 165 CG LEU A 11 -0.018 38.392 45.156 1.00 0.00 A C
ATOM 166 HG LEU A 11 0.619 39.168 44.731 1.00 0.00 A H
ATOM 167 CD1 LEU A 11 -0.369 38.855 46.581 1.00 0.00 A C
ATOM 168 HD11 LEU A 11 -0.881 39.817 46.539 1.00 0.00 A H
ATOM 169 HD12 LEU A 11 -1.014 38.085 47.003 1.00 0.00 A H
ATOM 170 HD13 LEU A 11 0.562 39.037 47.119 1.00 0.00 A H
ATOM 171 CD2 LEU A 11 0.749 37.135 45.428 1.00 0.00 A C
ATOM 172 HD21 LEU A 11 1.120 36.699 44.500 1.00 0.00 A H
ATOM 173 HD22 LEU A 11 1.661 37.252 46.013 1.00 0.00 A H
ATOM 174 HD23 LEU A 11 0.126 36.402 45.941 1.00 0.00 A H
ATOM 175 C LEU A 11 0.009 37.601 42.239 1.00 0.00 A C
ATOM 176 O LEU A 11 -0.375 36.452 42.066 1.00 0.00 A O
ATOM 177 N LYS A 12 1.315 38.058 42.081 1.00 0.00 A N
ATOM 178 H LYS A 12 1.468 39.047 42.220 1.00 0.00 A H
ATOM 179 CA LYS A 12 2.441 37.231 41.573 1.00 0.00 A C
ATOM 180 HA LYS A 12 2.402 36.222 41.982 1.00 0.00 A H
ATOM 181 CB LYS A 12 2.308 37.138 40.034 1.00 0.00 A C
ATOM 182 HB3 LYS A 12 3.087 36.452 39.701 1.00 0.00 A H
ATOM 183 HB2 LYS A 12 1.382 36.622 39.781 1.00 0.00 A H
ATOM 184 CG LYS A 12 2.508 38.509 39.289 1.00 0.00 A C
ATOM 185 HG3 LYS A 12 1.659 39.152 39.519 1.00 0.00 A H
ATOM 186 HG2 LYS A 12 3.471 38.895 39.623 1.00 0.00 A H
ATOM 187 CD LYS A 12 2.360 38.126 37.791 1.00 0.00 A C
ATOM 188 HD3 LYS A 12 3.196 37.455 37.595 1.00 0.00 A H
ATOM 189 HD2 LYS A 12 1.406 37.629 37.610 1.00 0.00 A H
ATOM 190 CE LYS A 12 2.361 39.354 36.938 1.00 0.00 A C
ATOM 191 HE3 LYS A 12 3.155 39.978 37.346 1.00 0.00 A H
ATOM 192 HE2 LYS A 12 2.466 39.143 35.873 1.00 0.00 A H
ATOM 193 NZ LYS A 12 1.075 40.155 36.988 1.00 0.00 A N
ATOM 194 HZ1 LYS A 12 1.277 40.992 36.459 1.00 0.00 A H
ATOM 195 HZ2 LYS A 12 0.387 39.611 36.487 1.00 0.00 A H
ATOM 196 HZ3 LYS A 12 0.673 40.361 37.891 1.00 0.00 A H
ATOM 197 C LYS A 12 3.844 37.555 42.132 1.00 0.00 A C
ATOM 198 O LYS A 12 4.055 38.710 42.411 1.00 0.00 A O
ATOM 199 N LEU A 13 4.780 36.643 42.153 1.00 0.00 A N
ATOM 200 H LEU A 13 4.421 35.708 42.022 1.00 0.00 A H
ATOM 201 CA LEU A 13 6.216 36.819 42.287 1.00 0.00 A C
ATOM 202 HA LEU A 13 6.488 37.665 41.655 1.00 0.00 A H
ATOM 203 CB LEU A 13 6.607 37.160 43.731 1.00 0.00 A C
ATOM 204 HB3 LEU A 13 7.684 37.249 43.870 1.00 0.00 A H
ATOM 205 HB2 LEU A 13 6.280 38.172 43.971 1.00 0.00 A H
ATOM 206 CG LEU A 13 6.163 36.148 44.800 1.00 0.00 A C
ATOM 207 HG LEU A 13 5.597 35.305 44.403 1.00 0.00 A H
ATOM 208 CD1 LEU A 13 7.347 35.585 45.629 1.00 0.00 A C
ATOM 209 HD11 LEU A 13 7.932 34.993 44.925 1.00 0.00 A H
ATOM 210 HD12 LEU A 13 7.857 36.471 46.008 1.00 0.00 A H
ATOM 211 HD13 LEU A 13 6.909 35.028 46.457 1.00 0.00 A H
ATOM 212 CD2 LEU A 13 5.274 36.915 45.802 1.00 0.00 A C
ATOM 213 HD21 LEU A 13 5.768 37.841 46.098 1.00 0.00 A H
ATOM 214 HD22 LEU A 13 4.411 37.242 45.223 1.00 0.00 A H
ATOM 215 HD23 LEU A 13 5.022 36.177 46.563 1.00 0.00 A H
ATOM 216 C LEU A 13 7.099 35.699 41.784 1.00 0.00 A C
ATOM 217 O LEU A 13 6.630 34.535 41.780 1.00 0.00 A O
ATOM 218 N LYS A 14 8.376 35.980 41.466 1.00 0.00 A N
ATOM 219 H LYS A 14 8.684 36.932 41.605 1.00 0.00 A H
ATOM 220 CA LYS A 14 9.453 35.019 41.248 1.00 0.00 A C
ATOM 221 HA LYS A 14 9.206 33.994 41.525 1.00 0.00 A H
ATOM 222 CB LYS A 14 9.471 34.885 39.673 1.00 0.00 A C
ATOM 223 HB3 LYS A 14 8.477 34.533 39.395 1.00 0.00 A H
ATOM 224 HB2 LYS A 14 9.582 35.843 39.164 1.00 0.00 A H
ATOM 225 CG LYS A 14 10.545 33.946 39.099 1.00 0.00 A C
ATOM 226 HG3 LYS A 14 11.483 34.121 39.625 1.00 0.00 A H
ATOM 227 HG2 LYS A 14 10.217 32.919 39.257 1.00 0.00 A H
ATOM 228 CD LYS A 14 10.704 34.134 37.581 1.00 0.00 A C
ATOM 229 HD3 LYS A 14 9.758 33.862 37.113 1.00 0.00 A H
ATOM 230 HD2 LYS A 14 10.844 35.172 37.277 1.00 0.00 A H
ATOM 231 CE LYS A 14 12.054 33.418 37.193 1.00 0.00 A C
ATOM 232 HE3 LYS A 14 12.850 33.804 37.831 1.00 0.00 A H
ATOM 233 HE2 LYS A 14 11.887 32.349 37.325 1.00 0.00 A H
ATOM 234 NZ LYS A 14 12.383 33.687 35.776 1.00 0.00 A N
ATOM 235 HZ1 LYS A 14 11.806 34.400 35.355 1.00 0.00 A H
ATOM 236 HZ2 LYS A 14 13.386 33.764 35.688 1.00 0.00 A H
ATOM 237 HZ3 LYS A 14 12.143 32.850 35.265 1.00 0.00 A H
ATOM 238 C LYS A 14 10.850 35.466 41.783 1.00 0.00 A C
ATOM 239 O LYS A 14 11.188 36.635 41.795 1.00 0.00 A O
ATOM 240 N LEU A 15 11.561 34.449 42.298 1.00 0.00 A N
ATOM 241 H LEU A 15 11.190 33.511 42.242 1.00 0.00 A H
ATOM 242 CA LEU A 15 12.925 34.586 42.846 1.00 0.00 A C
ATOM 243 HA LEU A 15 13.359 35.562 42.630 1.00 0.00 A H
ATOM 244 CB LEU A 15 12.867 34.506 44.408 1.00 0.00 A C
ATOM 245 HB3 LEU A 15 12.214 33.678 44.682 1.00 0.00 A H
ATOM 246 HB2 LEU A 15 13.854 34.253 44.796 1.00 0.00 A H
ATOM 247 CG LEU A 15 12.435 35.785 45.142 1.00 0.00 A C
ATOM 248 HG LEU A 15 12.896 36.668 44.699 1.00 0.00 A H
ATOM 249 CD1 LEU A 15 10.903 35.902 45.249 1.00 0.00 A C
ATOM 250 HD11 LEU A 15 10.465 34.919 45.423 1.00 0.00 A H
ATOM 251 HD12 LEU A 15 10.553 36.415 46.145 1.00 0.00 A H
ATOM 252 HD13 LEU A 15 10.371 36.434 44.460 1.00 0.00 A H
ATOM 253 CD2 LEU A 15 12.869 35.583 46.645 1.00 0.00 A C
ATOM 254 HD21 LEU A 15 12.462 34.705 47.145 1.00 0.00 A H
ATOM 255 HD22 LEU A 15 13.948 35.733 46.680 1.00 0.00 A H
ATOM 256 HD23 LEU A 15 12.580 36.422 47.278 1.00 0.00 A H
ATOM 257 C LEU A 15 13.910 33.498 42.398 1.00 0.00 A C
ATOM 258 O LEU A 15 13.529 32.347 42.168 1.00 0.00 A O
ATOM 259 N LYS A 16 15.204 33.872 42.515 1.00 0.00 A N
ATOM 260 H LYS A 16 15.322 34.874 42.569 1.00 0.00 A H
ATOM 261 CA LYS A 16 16.390 33.083 42.552 1.00 0.00 A C
ATOM 262 HA LYS A 16 16.165 32.064 42.868 1.00 0.00 A H
ATOM 263 CB LYS A 16 16.953 32.918 41.060 1.00 0.00 A C
ATOM 264 HB3 LYS A 16 16.224 32.418 40.422 1.00 0.00 A H
ATOM 265 HB2 LYS A 16 17.115 33.862 40.540 1.00 0.00 A H
ATOM 266 CG LYS A 16 18.237 32.062 40.994 1.00 0.00 A C
ATOM 267 HG3 LYS A 16 19.015 32.531 41.597 1.00 0.00 A H
ATOM 268 HG2 LYS A 16 18.002 31.050 41.321 1.00 0.00 A H
ATOM 269 CD LYS A 16 18.676 32.121 39.544 1.00 0.00 A C
ATOM 270 HD3 LYS A 16 18.294 31.250 39.011 1.00 0.00 A H
ATOM 271 HD2 LYS A 16 18.342 33.000 38.993 1.00 0.00 A H
ATOM 272 CE LYS A 16 20.200 32.039 39.393 1.00 0.00 A C
ATOM 273 HE3 LYS A 16 20.446 32.057 38.332 1.00 0.00 A H
ATOM 274 HE2 LYS A 16 20.773 32.877 39.792 1.00 0.00 A H
ATOM 275 NZ LYS A 16 20.658 30.709 39.774 1.00 0.00 A N
ATOM 276 HZ1 LYS A 16 20.077 29.972 39.401 1.00 0.00 A H
ATOM 277 HZ2 LYS A 16 21.614 30.473 39.549 1.00 0.00 A H
ATOM 278 HZ3 LYS A 16 20.643 30.611 40.779 1.00 0.00 A H
ATOM 279 C LYS A 16 17.393 33.591 43.614 1.00 0.00 A C
ATOM 280 O LYS A 16 17.549 34.784 43.845 1.00 0.00 A O
ATOM 281 N LEU A 17 18.081 32.658 44.302 1.00 0.00 A N
ATOM 282 H LEU A 17 17.982 31.707 43.977 1.00 0.00 A H
ATOM 283 CA LEU A 17 19.118 32.833 45.295 1.00 0.00 A C
ATOM 284 HA LEU A 17 19.294 33.882 45.531 1.00 0.00 A H
ATOM 285 CB LEU A 17 18.785 32.035 46.618 1.00 0.00 A C
ATOM 286 HB3 LEU A 17 18.317 31.087 46.352 1.00 0.00 A H
ATOM 287 HB2 LEU A 17 19.753 31.863 47.088 1.00 0.00 A H
ATOM 288 CG LEU A 17 17.891 32.846 47.575 1.00 0.00 A C
ATOM 289 HG LEU A 17 18.366 33.785 47.859 1.00 0.00 A H
ATOM 290 CD1 LEU A 17 16.599 33.197 47.015 1.00 0.00 A C
ATOM 291 HD11 LEU A 17 15.928 33.449 47.836 1.00 0.00 A H
ATOM 292 HD12 LEU A 17 16.724 34.011 46.301 1.00 0.00 A H
ATOM 293 HD13 LEU A 17 16.166 32.371 46.452 1.00 0.00 A H
ATOM 294 CD2 LEU A 17 17.587 31.861 48.749 1.00 0.00 A C
ATOM 295 HD21 LEU A 17 17.061 30.976 48.390 1.00 0.00 A H
ATOM 296 HD22 LEU A 17 18.539 31.586 49.204 1.00 0.00 A H
ATOM 297 HD23 LEU A 17 17.026 32.380 49.526 1.00 0.00 A H
ATOM 298 C LEU A 17 20.443 32.248 44.685 1.00 0.00 A C
ATOM 299 O LEU A 17 20.362 31.193 44.008 1.00 0.00 A O
HETATM 300 N NHE A 18 21.647 32.851 44.924 1.00 0.00 A N
HETATM 301 HN1 NHE A 18 22.491 32.606 44.425 1.00 0.00 A H
HETATM 302 HN2 NHE A 18 21.638 33.735 45.412 1.00 0.00 A H
HETATM 303 CH3 ACE A 19 21.215 27.908 45.301 1.00 0.00 A C
HETATM 304 H1 ACE A 19 21.795 27.850 44.380 1.00 0.00 A H
HETATM 305 H2 ACE A 19 21.780 27.349 46.046 1.00 0.00 A H
HETATM 306 H3 ACE A 19 21.050 28.969 45.485 1.00 0.00 A H
HETATM 307 C ACE A 19 19.920 27.170 45.008 1.00 0.00 A C
HETATM 308 O ACE A 19 19.803 25.948 45.271 1.00 0.00 A O
ATOM 309 N LEU A 20 18.867 27.960 44.740 1.00 0.00 A N
ATOM 310 H LEU A 20 19.049 28.939 44.575 1.00 0.00 A H
ATOM 311 CA LEU A 20 17.472 27.550 44.443 1.00 0.00 A C
ATOM 312 HA LEU A 20 17.554 26.611 43.896 1.00 0.00 A H
ATOM 313 CB LEU A 20 16.721 27.219 45.748 1.00 0.00 A C
ATOM 314 HB3 LEU A 20 15.898 26.545 45.508 1.00 0.00 A H
ATOM 315 HB2 LEU A 20 17.413 26.682 46.397 1.00 0.00 A H
ATOM 316 CG LEU A 20 16.267 28.397 46.700 1.00 0.00 A C
ATOM 317 HG LEU A 20 16.964 29.229 46.603 1.00 0.00 A H
ATOM 318 CD1 LEU A 20 14.876 28.885 46.381 1.00 0.00 A C
ATOM 319 HD11 LEU A 20 14.118 28.119 46.551 1.00 0.00 A H
ATOM 320 HD12 LEU A 20 14.598 29.693 47.058 1.00 0.00 A H
ATOM 321 HD13 LEU A 20 14.923 29.134 45.321 1.00 0.00 A H
ATOM 322 CD2 LEU A 20 16.154 28.026 48.212 1.00 0.00 A C
ATOM 323 HD21 LEU A 20 15.750 27.031 48.399 1.00 0.00 A H
ATOM 324 HD22 LEU A 20 17.185 27.980 48.564 1.00 0.00 A H
ATOM 325 HD23 LEU A 20 15.585 28.770 48.771 1.00 0.00 A H
ATOM 326 C LEU A 20 16.692 28.584 43.654 1.00 0.00 A C
ATOM 327 O LEU A 20 16.854 29.817 43.746 1.00 0.00 A O
ATOM 328 N LYS A 21 15.668 28.082 42.912 1.00 0.00 A N
ATOM 329 H LYS A 21 15.533 27.087 43.020 1.00 0.00 A H
ATOM 330 CA LYS A 21 14.724 28.857 42.169 1.00 0.00 A C
ATOM 331 HA LYS A 21 14.939 29.894 42.425 1.00 0.00 A H
ATOM 332 CB LYS A 21 14.636 28.674 40.615 1.00 0.00 A C
ATOM 333 HB3 LYS A 21 14.388 27.666 40.284 1.00 0.00 A H
ATOM 334 HB2 LYS A 21 13.758 29.214 40.260 1.00 0.00 A H
ATOM 335 CG LYS A 21 15.823 29.083 39.738 1.00 0.00 A C
ATOM 336 HG3 LYS A 21 15.918 30.163 39.850 1.00 0.00 A H
ATOM 337 HG2 LYS A 21 16.771 28.746 40.158 1.00 0.00 A H
ATOM 338 CD LYS A 21 15.851 28.629 38.199 1.00 0.00 A C
ATOM 339 HD3 LYS A 21 15.016 29.098 37.679 1.00 0.00 A H
ATOM 340 HD2 LYS A 21 16.790 29.060 37.850 1.00 0.00 A H
ATOM 341 CE LYS A 21 15.857 27.117 37.879 1.00 0.00 A C
ATOM 342 HE3 LYS A 21 16.384 26.596 38.677 1.00 0.00 A H
ATOM 343 HE2 LYS A 21 14.778 26.995 37.981 1.00 0.00 A H
ATOM 344 NZ LYS A 21 16.264 26.710 36.503 1.00 0.00 A N
ATOM 345 HZ1 LYS A 21 17.264 26.731 36.365 1.00 0.00 A H
ATOM 346 HZ2 LYS A 21 15.910 25.812 36.206 1.00 0.00 A H
ATOM 347 HZ3 LYS A 21 16.037 27.455 35.861 1.00 0.00 A H
ATOM 348 C LYS A 21 13.373 28.614 42.840 1.00 0.00 A C
ATOM 349 O LYS A 21 13.215 27.575 43.460 1.00 0.00 A O
ATOM 350 N LEU A 22 12.479 29.591 42.710 1.00 0.00 A N
ATOM 351 H LEU A 22 12.745 30.332 42.078 1.00 0.00 A H
ATOM 352 CA LEU A 22 11.140 29.672 43.435 1.00 0.00 A C
ATOM 353 HA LEU A 22 10.694 28.678 43.485 1.00 0.00 A H
ATOM 354 CB LEU A 22 11.346 30.097 44.865 1.00 0.00 A C
ATOM 355 HB3 LEU A 22 11.761 29.262 45.430 1.00 0.00 A H
ATOM 356 HB2 LEU A 22 12.191 30.784 44.900 1.00 0.00 A H
ATOM 357 CG LEU A 22 10.179 30.739 45.727 1.00 0.00 A C
ATOM 358 HG LEU A 22 9.689 31.561 45.205 1.00 0.00 A H
ATOM 359 CD1 LEU A 22 9.261 29.727 46.364 1.00 0.00 A C
ATOM 360 HD11 LEU A 22 9.884 29.084 46.985 1.00 0.00 A H
ATOM 361 HD12 LEU A 22 8.527 30.217 47.004 1.00 0.00 A H
ATOM 362 HD13 LEU A 22 8.927 29.094 45.542 1.00 0.00 A H
ATOM 363 CD2 LEU A 22 10.734 31.419 47.002 1.00 0.00 A C
ATOM 364 HD21 LEU A 22 11.265 30.722 47.650 1.00 0.00 A H
ATOM 365 HD22 LEU A 22 11.353 32.241 46.644 1.00 0.00 A H
ATOM 366 HD23 LEU A 22 9.896 31.955 47.448 1.00 0.00 A H
ATOM 367 C LEU A 22 10.204 30.729 42.753 1.00 0.00 A C
ATOM 368 O LEU A 22 10.480 31.901 42.637 1.00 0.00 A O
ATOM 369 N LYS A 23 8.871 30.476 42.596 1.00 0.00 A N
ATOM 370 H LYS A 23 8.695 29.482 42.558 1.00 0.00 A H
ATOM 371 CA LYS A 23 7.825 31.394 42.223 1.00 0.00 A C
ATOM 372 HA LYS A 23 8.103 32.435 42.389 1.00 0.00 A H
ATOM 373 CB LYS A 23 7.815 31.472 40.653 1.00 0.00 A C
ATOM 374 HB3 LYS A 23 6.946 32.066 40.370 1.00 0.00 A H
ATOM 375 HB2 LYS A 23 8.734 31.996 40.391 1.00 0.00 A H
ATOM 376 CG LYS A 23 7.799 30.094 40.001 1.00 0.00 A C
ATOM 377 HG3 LYS A 23 8.652 29.499 40.328 1.00 0.00 A H
ATOM 378 HG2 LYS A 23 6.849 29.645 40.292 1.00 0.00 A H
ATOM 379 CD LYS A 23 7.943 30.406 38.520 1.00 0.00 A C
ATOM 380 HD3 LYS A 23 7.308 31.218 38.166 1.00 0.00 A H
ATOM 381 HD2 LYS A 23 8.956 30.765 38.339 1.00 0.00 A H
ATOM 382 CE LYS A 23 7.622 29.063 37.772 1.00 0.00 A C
ATOM 383 HE3 LYS A 23 8.325 28.340 38.184 1.00 0.00 A H
ATOM 384 HE2 LYS A 23 6.630 28.711 38.055 1.00 0.00 A H
ATOM 385 NZ LYS A 23 7.725 29.248 36.269 1.00 0.00 A N
ATOM 386 HZ1 LYS A 23 7.053 29.975 36.067 1.00 0.00 A H
ATOM 387 HZ2 LYS A 23 8.647 29.501 35.945 1.00 0.00 A H
ATOM 388 HZ3 LYS A 23 7.393 28.415 35.802 1.00 0.00 A H
ATOM 389 C LYS A 23 6.460 31.144 42.828 1.00 0.00 A C
ATOM 390 O LYS A 23 6.149 30.020 43.303 1.00 0.00 A O
ATOM 391 N LEU A 24 5.595 32.118 42.774 1.00 0.00 A N
ATOM 392 H LEU A 24 5.909 33.013 42.427 1.00 0.00 A H
ATOM 393 CA LEU A 24 4.202 31.979 43.360 1.00 0.00 A C
ATOM 394 HA LEU A 24 3.879 30.949 43.210 1.00 0.00 A H
ATOM 395 CB LEU A 24 4.359 32.281 44.825 1.00 0.00 A C
ATOM 396 HB3 LEU A 24 5.038 31.560 45.281 1.00 0.00 A H
ATOM 397 HB2 LEU A 24 4.831 33.260 44.916 1.00 0.00 A H
ATOM 398 CG LEU A 24 3.079 32.391 45.697 1.00 0.00 A C
ATOM 399 HG LEU A 24 2.498 33.191 45.239 1.00 0.00 A H
ATOM 400 CD1 LEU A 24 2.252 31.097 45.647 1.00 0.00 A C
ATOM 401 HD11 LEU A 24 1.430 31.362 46.311 1.00 0.00 A H
ATOM 402 HD12 LEU A 24 1.799 30.925 44.670 1.00 0.00 A H
ATOM 403 HD13 LEU A 24 2.790 30.193 45.933 1.00 0.00 A H
ATOM 404 CD2 LEU A 24 3.437 32.748 47.160 1.00 0.00 A C
ATOM 405 HD21 LEU A 24 2.492 32.843 47.694 1.00 0.00 A H
ATOM 406 HD22 LEU A 24 3.969 31.901 47.592 1.00 0.00 A H
ATOM 407 HD23 LEU A 24 3.833 33.763 47.210 1.00 0.00 A H
ATOM 408 C LEU A 24 3.229 32.926 42.664 1.00 0.00 A C
ATOM 409 O LEU A 24 3.487 34.074 42.389 1.00 0.00 A O
ATOM 410 N LYS A 25 2.029 32.471 42.230 1.00 0.00 A N
ATOM 411 H LYS A 25 1.782 31.530 42.499 1.00 0.00 A H
ATOM 412 CA LYS A 25 0.967 33.207 41.545 1.00 0.00 A C
ATOM 413 HA LYS A 25 1.128 34.266 41.747 1.00 0.00 A H
ATOM 414 CB LYS A 25 1.074 32.969 40.032 1.00 0.00 A C
ATOM 415 HB3 LYS A 25 0.397 33.709 39.605 1.00 0.00 A H
ATOM 416 HB2 LYS A 25 2.068 33.261 39.694 1.00 0.00 A H
ATOM 417 CG LYS A 25 0.728 31.554 39.464 1.00 0.00 A C
ATOM 418 HG3 LYS A 25 1.697 31.055 39.499 1.00 0.00 A H
ATOM 419 HG2 LYS A 25 0.003 31.124 40.155 1.00 0.00 A H
ATOM 420 CD LYS A 25 0.344 31.539 37.939 1.00 0.00 A C
ATOM 421 HD3 LYS A 25 -0.001 30.507 37.867 1.00 0.00 A H
ATOM 422 HD2 LYS A 25 -0.459 32.238 37.707 1.00 0.00 A H
ATOM 423 CE LYS A 25 1.505 31.814 37.023 1.00 0.00 A C
ATOM 424 HE3 LYS A 25 1.440 32.897 36.916 1.00 0.00 A H
ATOM 425 HE2 LYS A 25 2.428 31.531 37.529 1.00 0.00 A H
ATOM 426 NZ LYS A 25 1.309 31.037 35.783 1.00 0.00 A N
ATOM 427 HZ1 LYS A 25 0.318 30.869 35.680 1.00 0.00 A H
ATOM 428 HZ2 LYS A 25 1.721 31.517 34.995 1.00 0.00 A H
ATOM 429 HZ3 LYS A 25 1.701 30.106 35.780 1.00 0.00 A H
ATOM 430 C LYS A 25 -0.412 32.808 42.237 1.00 0.00 A C
ATOM 431 O LYS A 25 -0.540 31.693 42.799 1.00 0.00 A O
ATOM 432 N LEU A 26 -1.384 33.754 42.306 1.00 0.00 A N
ATOM 433 H LEU A 26 -1.188 34.665 41.917 1.00 0.00 A H
ATOM 434 CA LEU A 26 -2.792 33.497 42.613 1.00 0.00 A C
ATOM 435 HA LEU A 26 -2.871 32.510 43.068 1.00 0.00 A H
ATOM 436 CB LEU A 26 -3.315 34.473 43.651 1.00 0.00 A C
ATOM 437 HB3 LEU A 26 -3.365 35.482 43.242 1.00 0.00 A H
ATOM 438 HB2 LEU A 26 -4.327 34.147 43.892 1.00 0.00 A H
ATOM 439 CG LEU A 26 -2.619 34.493 45.061 1.00 0.00 A C
ATOM 440 HG LEU A 26 -1.706 35.086 45.112 1.00 0.00 A H
ATOM 441 CD1 LEU A 26 -3.526 35.214 46.070 1.00 0.00 A C
ATOM 442 HD11 LEU A 26 -4.367 34.575 46.340 1.00 0.00 A H
ATOM 443 HD12 LEU A 26 -2.955 35.558 46.932 1.00 0.00 A H
ATOM 444 HD13 LEU A 26 -3.906 36.150 45.660 1.00 0.00 A H
ATOM 445 CD2 LEU A 26 -2.312 33.183 45.747 1.00 0.00 A C
ATOM 446 HD21 LEU A 26 -1.787 32.535 45.045 1.00 0.00 A H
ATOM 447 HD22 LEU A 26 -1.745 33.310 46.668 1.00 0.00 A H
ATOM 448 HD23 LEU A 26 -3.218 32.625 45.987 1.00 0.00 A H
ATOM 449 C LEU A 26 -3.760 33.458 41.421 1.00 0.00 A C
ATOM 450 O LEU A 26 -5.021 33.576 41.545 1.00 0.00 A O
HETATM 451 N NHE A 27 -3.250 33.542 40.201 1.00 0.00 A N
HETATM 452 HN1 NHE A 27 -3.868 33.893 39.483 1.00 0.00 A H
HETATM 453 HN2 NHE A 27 -2.262 33.753 40.205 1.00 0.00 A H
HETATM 454 CH3 ACE A 28 -5.571 30.470 41.503 1.00 0.00 A C
HETATM 455 H1 ACE A 28 -5.923 29.481 41.209 1.00 0.00 A H
HETATM 456 H2 ACE A 28 -5.341 30.969 40.562 1.00 0.00 A H
HETATM 457 H3 ACE A 28 -6.284 30.975 42.155 1.00 0.00 A H
HETATM 458 C ACE A 28 -4.304 30.075 42.105 1.00 0.00 A C
HETATM 459 O ACE A 28 -3.254 30.269 41.511 1.00 0.00 A O
ATOM 460 N LEU A 29 -4.229 29.520 43.330 1.00 0.00 A N
ATOM 461 H LEU A 29 -5.087 29.351 43.835 1.00 0.00 A H
ATOM 462 CA LEU A 29 -2.972 29.475 44.080 1.00 0.00 A C
ATOM 463 HA LEU A 29 -2.477 30.443 44.016 1.00 0.00 A H
ATOM 464 CB LEU A 29 -3.350 29.168 45.563 1.00 0.00 A C
ATOM 465 HB3 LEU A 29 -4.213 29.813 45.730 1.00 0.00 A H
ATOM 466 HB2 LEU A 29 -3.792 28.184 45.720 1.00 0.00 A H
ATOM 467 CG LEU A 29 -2.358 29.549 46.646 1.00 0.00 A C
ATOM 468 HG LEU A 29 -2.278 30.635 46.607 1.00 0.00 A H
ATOM 469 CD1 LEU A 29 -2.817 28.987 48.021 1.00 0.00 A C
ATOM 470 HD11 LEU A 29 -3.419 29.762 48.495 1.00 0.00 A H
ATOM 471 HD12 LEU A 29 -3.392 28.070 47.890 1.00 0.00 A H
ATOM 472 HD13 LEU A 29 -1.983 28.766 48.687 1.00 0.00 A H
ATOM 473 CD2 LEU A 29 -0.996 28.907 46.352 1.00 0.00 A C
ATOM 474 HD21 LEU A 29 -0.460 29.377 45.527 1.00 0.00 A H
ATOM 475 HD22 LEU A 29 -0.286 29.023 47.171 1.00 0.00 A H
ATOM 476 HD23 LEU A 29 -1.070 27.821 46.299 1.00 0.00 A H
ATOM 477 C LEU A 29 -1.995 28.310 43.540 1.00 0.00 A C
ATOM 478 O LEU A 29 -2.196 27.143 43.755 1.00 0.00 A O
ATOM 479 N LYS A 30 -0.879 28.702 42.908 1.00 0.00 A N
ATOM 480 H LYS A 30 -0.806 29.692 42.720 1.00 0.00 A H
ATOM 481 CA LYS A 30 0.087 27.894 42.163 1.00 0.00 A C
ATOM 482 HA LYS A 30 0.015 26.855 42.487 1.00 0.00 A H
ATOM 483 CB LYS A 30 -0.179 28.003 40.675 1.00 0.00 A C
ATOM 484 HB3 LYS A 30 -1.249 27.981 40.469 1.00 0.00 A H
ATOM 485 HB2 LYS A 30 0.191 28.975 40.348 1.00 0.00 A H
ATOM 486 CG LYS A 30 0.640 27.050 39.831 1.00 0.00 A C
ATOM 487 HG3 LYS A 30 1.696 27.046 40.101 1.00 0.00 A H
ATOM 488 HG2 LYS A 30 0.257 26.048 40.020 1.00 0.00 A H
ATOM 489 CD LYS A 30 0.499 27.107 38.367 1.00 0.00 A C
ATOM 490 HD3 LYS A 30 -0.551 26.985 38.103 1.00 0.00 A H
ATOM 491 HD2 LYS A 30 0.861 28.107 38.130 1.00 0.00 A H
ATOM 492 CE LYS A 30 1.251 26.004 37.669 1.00 0.00 A C
ATOM 493 HE3 LYS A 30 0.754 25.076 37.953 1.00 0.00 A H
ATOM 494 HE2 LYS A 30 1.071 26.035 36.595 1.00 0.00 A H
ATOM 495 NZ LYS A 30 2.754 25.817 37.919 1.00 0.00 A N
ATOM 496 HZ1 LYS A 30 3.215 25.124 37.347 1.00 0.00 A H
ATOM 497 HZ2 LYS A 30 3.263 26.675 37.760 1.00 0.00 A H
ATOM 498 HZ3 LYS A 30 3.008 25.443 38.822 1.00 0.00 A H
ATOM 499 C LYS A 30 1.551 28.303 42.445 1.00 0.00 A C
ATOM 500 O LYS A 30 1.883 29.514 42.453 1.00 0.00 A O
ATOM 501 N LEU A 31 2.359 27.279 42.682 1.00 0.00 A N
ATOM 502 H LEU A 31 1.945 26.360 42.609 1.00 0.00 A H
ATOM 503 CA LEU A 31 3.677 27.348 43.328 1.00 0.00 A C
ATOM 504 HA LEU A 31 4.080 28.356 43.228 1.00 0.00 A H
ATOM 505 CB LEU A 31 3.432 27.130 44.848 1.00 0.00 A C
ATOM 506 HB3 LEU A 31 2.622 27.785 45.172 1.00 0.00 A H
ATOM 507 HB2 LEU A 31 3.145 26.083 44.945 1.00 0.00 A H
ATOM 508 CG LEU A 31 4.620 27.322 45.725 1.00 0.00 A C
ATOM 509 HG LEU A 31 5.275 28.092 45.316 1.00 0.00 A H
ATOM 510 CD1 LEU A 31 4.318 27.795 47.174 1.00 0.00 A C
ATOM 511 HD11 LEU A 31 3.697 28.688 47.250 1.00 0.00 A H
ATOM 512 HD12 LEU A 31 3.728 26.984 47.599 1.00 0.00 A H
ATOM 513 HD13 LEU A 31 5.209 28.000 47.768 1.00 0.00 A H
ATOM 514 CD2 LEU A 31 5.413 26.025 45.933 1.00 0.00 A C
ATOM 515 HD21 LEU A 31 6.390 26.282 46.342 1.00 0.00 A H
ATOM 516 HD22 LEU A 31 4.815 25.282 46.462 1.00 0.00 A H
ATOM 517 HD23 LEU A 31 5.673 25.548 44.988 1.00 0.00 A H
ATOM 518 C LEU A 31 4.723 26.405 42.759 1.00 0.00 A C
ATOM 519 O LEU A 31 4.433 25.278 42.545 1.00 0.00 A O
ATOM 520 N LYS A 32 5.916 26.859 42.481 1.00 0.00 A N
ATOM 521 H LYS A 32 6.098 27.849 42.560 1.00 0.00 A H
ATOM 522 CA LYS A 32 6.955 26.043 41.989 1.00 0.00 A C
ATOM 523 HA LYS A 32 6.788 25.019 42.323 1.00 0.00 A H
ATOM 524 CB LYS A 32 6.905 26.145 40.447 1.00 0.00 A C
ATOM 525 HB3 LYS A 32 5.905 26.488 40.182 1.00 0.00 A H
ATOM 526 HB2 LYS A 32 7.589 26.941 40.149 1.00 0.00 A H
ATOM 527 CG LYS A 32 7.288 24.883 39.620 1.00 0.00 A C
ATOM 528 HG3 LYS A 32 8.324 24.625 39.842 1.00 0.00 A H
ATOM 529 HG2 LYS A 32 6.598 24.150 40.038 1.00 0.00 A H
ATOM 530 CD LYS A 32 7.085 24.985 38.152 1.00 0.00 A C
ATOM 531 HD3 LYS A 32 6.130 25.478 37.976 1.00 0.00 A H
ATOM 532 HD2 LYS A 32 7.904 25.570 37.733 1.00 0.00 A H
ATOM 533 CE LYS A 32 7.054 23.652 37.346 1.00 0.00 A C
ATOM 534 HE3 LYS A 32 8.035 23.205 37.507 1.00 0.00 A H
ATOM 535 HE2 LYS A 32 6.307 22.971 37.755 1.00 0.00 A H
ATOM 536 NZ LYS A 32 6.967 23.902 35.890 1.00 0.00 A N
ATOM 537 HZ1 LYS A 32 6.404 23.193 35.441 1.00 0.00 A H
ATOM 538 HZ2 LYS A 32 6.465 24.735 35.619 1.00 0.00 A H
ATOM 539 HZ3 LYS A 32 7.856 23.961 35.414 1.00 0.00 A H
ATOM 540 C LYS A 32 8.320 26.452 42.542 1.00 0.00 A C
ATOM 541 O LYS A 32 8.671 27.593 42.677 1.00 0.00 A O
ATOM 542 N LEU A 33 9.131 25.471 42.964 1.00 0.00 A N
ATOM 543 H LEU A 33 8.879 24.495 42.901 1.00 0.00 A H
ATOM 544 CA LEU A 33 10.499 25.666 43.558 1.00 0.00 A C
ATOM 545 HA LEU A 33 10.930 26.577 43.143 1.00 0.00 A H
ATOM 546 CB LEU A 33 10.314 25.682 45.023 1.00 0.00 A C
ATOM 547 HB3 LEU A 33 9.858 26.609 45.371 1.00 0.00 A H
ATOM 548 HB2 LEU A 33 9.635 24.887 45.332 1.00 0.00 A H
ATOM 549 CG LEU A 33 11.604 25.525 45.800 1.00 0.00 A C
ATOM 550 HG LEU A 33 12.464 25.898 45.243 1.00 0.00 A H
ATOM 551 CD1 LEU A 33 11.534 26.342 47.086 1.00 0.00 A C
ATOM 552 HD11 LEU A 33 10.669 26.187 47.730 1.00 0.00 A H
ATOM 553 HD12 LEU A 33 12.462 26.234 47.648 1.00 0.00 A H
ATOM 554 HD13 LEU A 33 11.460 27.409 46.875 1.00 0.00 A H
ATOM 555 CD2 LEU A 33 11.960 24.081 46.074 1.00 0.00 A C
ATOM 556 HD21 LEU A 33 11.063 23.627 46.494 1.00 0.00 A H
ATOM 557 HD22 LEU A 33 12.153 23.488 45.180 1.00 0.00 A H
ATOM 558 HD23 LEU A 33 12.853 23.986 46.692 1.00 0.00 A H
ATOM 559 C LEU A 33 11.295 24.504 42.985 1.00 0.00 A C
ATOM 560 O LEU A 33 10.792 23.395 42.727 1.00 0.00 A O
ATOM 561 N LYS A 34 12.645 24.735 42.832 1.00 0.00 A N
ATOM 562 H LYS A 34 12.946 25.688 42.976 1.00 0.00 A H
ATOM 563 CA LYS A 34 13.614 23.692 42.370 1.00 0.00 A C
ATOM 564 HA LYS A 34 13.281 22.723 42.741 1.00 0.00 A H
ATOM 565 CB LYS A 34 13.687 23.762 40.775 1.00 0.00 A C
ATOM 566 HB3 LYS A 34 12.707 23.483 40.387 1.00 0.00 A H
ATOM 567 HB2 LYS A 34 13.782 24.770 40.370 1.00 0.00 A H
ATOM 568 CG LYS A 34 14.739 22.794 40.174 1.00 0.00 A C
ATOM 569 HG3 LYS A 34 15.736 23.156 40.424 1.00 0.00 A H
ATOM 570 HG2 LYS A 34 14.484 21.808 40.561 1.00 0.00 A H
ATOM 571 CD LYS A 34 14.770 22.690 38.681 1.00 0.00 A C
ATOM 572 HD3 LYS A 34 13.898 22.306 38.152 1.00 0.00 A H
ATOM 573 HD2 LYS A 34 15.069 23.654 38.269 1.00 0.00 A H
ATOM 574 CE LYS A 34 15.924 21.755 38.386 1.00 0.00 A C
ATOM 575 HE3 LYS A 34 16.823 22.034 38.936 1.00 0.00 A H
ATOM 576 HE2 LYS A 34 15.612 20.767 38.724 1.00 0.00 A H
ATOM 577 NZ LYS A 34 16.187 21.734 36.961 1.00 0.00 A N
ATOM 578 HZ1 LYS A 34 15.505 21.414 36.288 1.00 0.00 A H
ATOM 579 HZ2 LYS A 34 16.491 22.649 36.659 1.00 0.00 A H
ATOM 580 HZ3 LYS A 34 16.955 21.100 36.792 1.00 0.00 A H
ATOM 581 C LYS A 34 14.981 24.101 42.948 1.00 0.00 A C
ATOM 582 O LYS A 34 15.475 25.210 42.649 1.00 0.00 A O
ATOM 583 N LEU A 35 15.639 23.241 43.693 1.00 0.00 A N
ATOM 584 H LEU A 35 15.084 22.459 44.011 1.00 0.00 A H
ATOM 585 CA LEU A 35 16.933 23.561 44.257 1.00 0.00 A C
ATOM 586 HA LEU A 35 17.030 24.598 44.579 1.00 0.00 A H
ATOM 587 CB LEU A 35 17.208 22.595 45.409 1.00 0.00 A C
ATOM 588 HB3 LEU A 35 17.167 21.616 44.931 1.00 0.00 A H
ATOM 589 HB2 LEU A 35 18.197 22.896 45.756 1.00 0.00 A H
ATOM 590 CG LEU A 35 16.332 22.546 46.685 1.00 0.00 A C
ATOM 591 HG LEU A 35 15.393 22.088 46.373 1.00 0.00 A H
ATOM 592 CD1 LEU A 35 16.981 21.600 47.696 1.00 0.00 A C
ATOM 593 HD11 LEU A 35 17.914 22.056 48.030 1.00 0.00 A H
ATOM 594 HD12 LEU A 35 16.330 21.598 48.571 1.00 0.00 A H
ATOM 595 HD13 LEU A 35 17.263 20.632 47.282 1.00 0.00 A H
ATOM 596 CD2 LEU A 35 16.186 23.981 47.210 1.00 0.00 A C
ATOM 597 HD21 LEU A 35 15.643 23.926 48.154 1.00 0.00 A H
ATOM 598 HD22 LEU A 35 17.175 24.380 47.438 1.00 0.00 A H
ATOM 599 HD23 LEU A 35 15.606 24.569 46.499 1.00 0.00 A H
ATOM 600 C LEU A 35 17.999 23.310 43.183 1.00 0.00 A C
ATOM 601 O LEU A 35 17.933 22.588 42.256 1.00 0.00 A O
HETATM 602 N NHE A 36 19.126 24.010 43.287 1.00 0.00 A N
HETATM 603 HN1 NHE A 36 19.821 23.833 42.576 1.00 0.00 A H
HETATM 604 HN2 NHE A 36 19.204 24.827 43.877 1.00 0.00 A H
HETATM 605 CH3 ACE A 37 17.740 19.125 41.516 1.00 0.00 A C
HETATM 606 H1 ACE A 37 17.506 19.405 40.489 1.00 0.00 A H
HETATM 607 H2 ACE A 37 18.296 18.188 41.509 1.00 0.00 A H
HETATM 608 H3 ACE A 37 18.325 19.825 42.114 1.00 0.00 A H
HETATM 609 C ACE A 37 16.440 18.874 42.236 1.00 0.00 A C
HETATM 610 O ACE A 37 15.494 18.554 41.580 1.00 0.00 A O
ATOM 611 N LEU A 38 16.367 19.001 43.604 1.00 0.00 A N
ATOM 612 H LEU A 38 17.214 19.242 44.098 1.00 0.00 A H
ATOM 613 CA LEU A 38 15.151 18.587 44.212 1.00 0.00 A C
ATOM 614 HA LEU A 38 14.822 17.698 43.674 1.00 0.00 A H
ATOM 615 CB LEU A 38 15.489 18.230 45.702 1.00 0.00 A C
ATOM 616 HB3 LEU A 38 16.320 17.525 45.715 1.00 0.00 A H
ATOM 617 HB2 LEU A 38 15.652 19.156 46.255 1.00 0.00 A H
ATOM 618 CG LEU A 38 14.362 17.516 46.488 1.00 0.00 A C
ATOM 619 HG LEU A 38 13.790 16.891 45.802 1.00 0.00 A H
ATOM 620 CD1 LEU A 38 15.030 16.652 47.523 1.00 0.00 A C
ATOM 621 HD11 LEU A 38 14.369 15.923 47.992 1.00 0.00 A H
ATOM 622 HD12 LEU A 38 15.798 16.049 47.039 1.00 0.00 A H
ATOM 623 HD13 LEU A 38 15.513 17.229 48.311 1.00 0.00 A H
ATOM 624 CD2 LEU A 38 13.340 18.482 47.210 1.00 0.00 A C
ATOM 625 HD21 LEU A 38 12.316 18.124 47.311 1.00 0.00 A H
ATOM 626 HD22 LEU A 38 13.661 18.793 48.204 1.00 0.00 A H
ATOM 627 HD23 LEU A 38 13.226 19.429 46.683 1.00 0.00 A H
ATOM 628 C LEU A 38 14.099 19.742 44.045 1.00 0.00 A C
ATOM 629 O LEU A 38 14.308 20.911 44.357 1.00 0.00 A O
ATOM 630 N LYS A 39 12.989 19.307 43.486 1.00 0.00 A N
ATOM 631 H LYS A 39 12.855 18.311 43.381 1.00 0.00 A H
ATOM 632 CA LYS A 39 11.864 20.114 43.001 1.00 0.00 A C
ATOM 633 HA LYS A 39 12.155 21.164 42.977 1.00 0.00 A H
ATOM 634 CB LYS A 39 11.720 19.751 41.461 1.00 0.00 A C
ATOM 635 HB3 LYS A 39 10.824 20.210 41.042 1.00 0.00 A H
ATOM 636 HB2 LYS A 39 12.439 20.250 40.811 1.00 0.00 A H
ATOM 637 CG LYS A 39 11.598 18.258 41.102 1.00 0.00 A C
ATOM 638 HG3 LYS A 39 12.559 17.788 41.311 1.00 0.00 A H
ATOM 639 HG2 LYS A 39 10.877 17.788 41.770 1.00 0.00 A H
ATOM 640 CD LYS A 39 11.083 18.101 39.649 1.00 0.00 A C
ATOM 641 HD3 LYS A 39 10.012 18.296 39.717 1.00 0.00 A H
ATOM 642 HD2 LYS A 39 11.512 18.846 38.980 1.00 0.00 A H
ATOM 643 CE LYS A 39 11.332 16.746 39.066 1.00 0.00 A C
ATOM 644 HE3 LYS A 39 12.391 16.583 38.864 1.00 0.00 A H
ATOM 645 HE2 LYS A 39 10.981 15.950 39.723 1.00 0.00 A H
ATOM 646 NZ LYS A 39 10.631 16.572 37.731 1.00 0.00 A N
ATOM 647 HZ1 LYS A 39 10.668 15.586 37.512 1.00 0.00 A H
ATOM 648 HZ2 LYS A 39 9.628 16.597 37.846 1.00 0.00 A H
ATOM 649 HZ3 LYS A 39 10.865 17.193 36.970 1.00 0.00 A H
ATOM 650 C LYS A 39 10.509 19.893 43.719 1.00 0.00 A C
ATOM 651 O LYS A 39 10.313 18.852 44.297 1.00 0.00 A O
ATOM 652 N LEU A 40 9.549 20.844 43.683 1.00 0.00 A N
ATOM 653 H LEU A 40 9.690 21.723 43.206 1.00 0.00 A H
ATOM 654 CA LEU A 40 8.235 20.700 44.312 1.00 0.00 A C
ATOM 655 HA LEU A 40 7.870 19.676 44.233 1.00 0.00 A H
ATOM 656 CB LEU A 40 8.467 21.108 45.751 1.00 0.00 A C
ATOM 657 HB3 LEU A 40 9.068 20.327 46.216 1.00 0.00 A H
ATOM 658 HB2 LEU A 40 9.082 22.006 45.803 1.00 0.00 A H
ATOM 659 CG LEU A 40 7.172 21.274 46.579 1.00 0.00 A C
ATOM 660 HG LEU A 40 6.526 22.065 46.200 1.00 0.00 A H
ATOM 661 CD1 LEU A 40 6.352 19.980 46.829 1.00 0.00 A C
ATOM 662 HD11 LEU A 40 5.955 19.554 45.908 1.00 0.00 A H
ATOM 663 HD12 LEU A 40 7.045 19.265 47.272 1.00 0.00 A H
ATOM 664 HD13 LEU A 40 5.604 20.278 47.564 1.00 0.00 A H
ATOM 665 CD2 LEU A 40 7.633 21.816 47.955 1.00 0.00 A C
ATOM 666 HD21 LEU A 40 6.714 21.955 48.524 1.00 0.00 A H
ATOM 667 HD22 LEU A 40 8.269 21.086 48.456 1.00 0.00 A H
ATOM 668 HD23 LEU A 40 8.203 22.738 47.839 1.00 0.00 A H
ATOM 669 C LEU A 40 7.274 21.683 43.573 1.00 0.00 A C
ATOM 670 O LEU A 40 7.590 22.858 43.338 1.00 0.00 A O
ATOM 671 N LYS A 41 6.159 21.184 43.098 1.00 0.00 A N
ATOM 672 H LYS A 41 6.152 20.189 42.920 1.00 0.00 A H
ATOM 673 CA LYS A 41 5.039 21.916 42.423 1.00 0.00 A C
ATOM 674 HA LYS A 41 5.234 22.985 42.508 1.00 0.00 A H
ATOM 675 CB LYS A 41 4.949 21.429 40.976 1.00 0.00 A C
ATOM 676 HB3 LYS A 41 4.276 22.113 40.459 1.00 0.00 A H
ATOM 677 HB2 LYS A 41 5.943 21.660 40.591 1.00 0.00 A H
ATOM 678 CG LYS A 41 4.745 20.010 40.662 1.00 0.00 A C
ATOM 679 HG3 LYS A 41 5.544 19.414 41.103 1.00 0.00 A H
ATOM 680 HG2 LYS A 41 3.788 19.637 41.026 1.00 0.00 A H
ATOM 681 CD LYS A 41 4.711 19.790 39.110 1.00 0.00 A C
ATOM 682 HD3 LYS A 41 3.765 20.153 38.707 1.00 0.00 A H
ATOM 683 HD2 LYS A 41 5.450 20.428 38.626 1.00 0.00 A H
ATOM 684 CE LYS A 41 4.995 18.413 38.743 1.00 0.00 A C
ATOM 685 HE3 LYS A 41 5.846 18.005 39.288 1.00 0.00 A H
ATOM 686 HE2 LYS A 41 4.194 17.866 39.241 1.00 0.00 A H
ATOM 687 NZ LYS A 41 4.943 18.115 37.191 1.00 0.00 A N
ATOM 688 HZ1 LYS A 41 4.798 17.115 37.203 1.00 0.00 A H
ATOM 689 HZ2 LYS A 41 4.163 18.518 36.692 1.00 0.00 A H
ATOM 690 HZ3 LYS A 41 5.837 18.387 36.807 1.00 0.00 A H
ATOM 691 C LYS A 41 3.817 21.675 43.171 1.00 0.00 A C
ATOM 692 O LYS A 41 3.620 20.600 43.718 1.00 0.00 A O
ATOM 693 N LEU A 42 2.877 22.592 43.181 1.00 0.00 A N
ATOM 694 H LEU A 42 3.139 23.485 42.788 1.00 0.00 A H
ATOM 695 CA LEU A 42 1.561 22.490 43.874 1.00 0.00 A C
ATOM 696 HA LEU A 42 1.215 21.463 43.758 1.00 0.00 A H
ATOM 697 CB LEU A 42 1.637 22.826 45.361 1.00 0.00 A C
ATOM 698 HB3 LEU A 42 2.509 22.368 45.828 1.00 0.00 A H
ATOM 699 HB2 LEU A 42 2.013 23.847 45.435 1.00 0.00 A H
ATOM 700 CG LEU A 42 0.451 22.582 46.216 1.00 0.00 A C
ATOM 701 HG LEU A 42 -0.301 23.261 45.815 1.00 0.00 A H
ATOM 702 CD1 LEU A 42 0.028 21.096 46.123 1.00 0.00 A C
ATOM 703 HD11 LEU A 42 -0.681 20.865 46.918 1.00 0.00 A H
ATOM 704 HD12 LEU A 42 -0.418 20.917 45.144 1.00 0.00 A H
ATOM 705 HD13 LEU A 42 0.858 20.409 46.290 1.00 0.00 A H
ATOM 706 CD2 LEU A 42 0.804 22.880 47.695 1.00 0.00 A C
ATOM 707 HD21 LEU A 42 1.541 22.139 48.004 1.00 0.00 A H
ATOM 708 HD22 LEU A 42 1.184 23.898 47.777 1.00 0.00 A H
ATOM 709 HD23 LEU A 42 -0.012 22.814 48.414 1.00 0.00 A H
ATOM 710 C LEU A 42 0.529 23.451 43.167 1.00 0.00 A C
ATOM 711 O LEU A 42 0.851 24.546 42.719 1.00 0.00 A O
ATOM 712 N LYS A 43 -0.692 23.058 43.287 1.00 0.00 A N
ATOM 713 H LYS A 43 -0.946 22.140 43.624 1.00 0.00 A H
ATOM 714 CA LYS A 43 -1.830 23.970 42.925 1.00 0.00 A C
ATOM 715 HA LYS A 43 -1.550 24.977 43.236 1.00 0.00 A H
ATOM 716 CB LYS A 43 -2.174 23.965 41.468 1.00 0.00 A C
ATOM 717 HB3 LYS A 43 -1.204 24.020 40.973 1.00 0.00 A H
ATOM 718 HB2 LYS A 43 -2.680 23.039 41.196 1.00 0.00 A H
ATOM 719 CG LYS A 43 -2.984 25.251 41.074 1.00 0.00 A C
ATOM 720 HG3 LYS A 43 -3.894 25.200 41.673 1.00 0.00 A H
ATOM 721 HG2 LYS A 43 -2.359 26.126 41.250 1.00 0.00 A H
ATOM 722 CD LYS A 43 -3.285 25.144 39.581 1.00 0.00 A C
ATOM 723 HD3 LYS A 43 -2.315 25.128 39.084 1.00 0.00 A H
ATOM 724 HD2 LYS A 43 -3.793 24.210 39.343 1.00 0.00 A H
ATOM 725 CE LYS A 43 -4.019 26.447 39.108 1.00 0.00 A C
ATOM 726 HE3 LYS A 43 -3.552 27.281 39.633 1.00 0.00 A H
ATOM 727 HE2 LYS A 43 -3.721 26.619 38.074 1.00 0.00 A H
ATOM 728 NZ LYS A 43 -5.455 26.401 39.080 1.00 0.00 A N
ATOM 729 HZ1 LYS A 43 -5.746 25.445 38.930 1.00 0.00 A H
ATOM 730 HZ2 LYS A 43 -5.824 26.584 40.002 1.00 0.00 A H
ATOM 731 HZ3 LYS A 43 -5.840 26.947 38.322 1.00 0.00 A H
ATOM 732 C LYS A 43 -2.989 23.618 43.901 1.00 0.00 A C
ATOM 733 O LYS A 43 -3.209 22.449 44.143 1.00 0.00 A O
ATOM 734 N LEU A 44 -3.584 24.569 44.572 1.00 0.00 A N
ATOM 735 H LEU A 44 -3.227 25.511 44.501 1.00 0.00 A H
ATOM 736 CA LEU A 44 -4.728 24.457 45.457 1.00 0.00 A C
ATOM 737 HA LEU A 44 -4.999 23.408 45.577 1.00 0.00 A H
ATOM 738 CB LEU A 44 -4.260 25.055 46.781 1.00 0.00 A C
ATOM 739 HB3 LEU A 44 -3.946 26.095 46.686 1.00 0.00 A H
ATOM 740 HB2 LEU A 44 -5.092 25.044 47.485 1.00 0.00 A H
ATOM 741 CG LEU A 44 -3.043 24.247 47.408 1.00 0.00 A C
ATOM 742 HG LEU A 44 -2.116 24.407 46.857 1.00 0.00 A H
ATOM 743 CD1 LEU A 44 -2.852 24.800 48.817 1.00 0.00 A C
ATOM 744 HD11 LEU A 44 -3.778 24.725 49.387 1.00 0.00 A H
ATOM 745 HD12 LEU A 44 -2.039 24.208 49.239 1.00 0.00 A H
ATOM 746 HD13 LEU A 44 -2.506 25.823 48.669 1.00 0.00 A H
ATOM 747 CD2 LEU A 44 -3.329 22.722 47.449 1.00 0.00 A C
ATOM 748 HD21 LEU A 44 -2.758 22.089 48.128 1.00 0.00 A H
ATOM 749 HD22 LEU A 44 -4.393 22.574 47.631 1.00 0.00 A H
ATOM 750 HD23 LEU A 44 -3.225 22.287 46.455 1.00 0.00 A H
ATOM 751 C LEU A 44 -5.929 25.207 44.886 1.00 0.00 A C
ATOM 752 O LEU A 44 -5.922 26.257 44.285 1.00 0.00 A O
HETATM 753 N NHE A 45 -7.087 24.626 45.098 1.00 0.00 A N
HETATM 754 HN1 NHE A 45 -7.920 25.108 44.793 1.00 0.00 A H
HETATM 755 HN2 NHE A 45 -7.137 23.766 45.625 1.00 0.00 A H
HETATM 756 O HOH B 1 22.644 41.677 38.554 1.00 0.00 B O
HETATM 757 H1 HOH B 1 22.337 42.582 38.492 1.00 0.00 B H
HETATM 758 H2 HOH B 1 22.966 41.593 39.451 1.00 0.00 B H
HETATM 759 O HOH B 2 5.234 50.100 30.354 1.00 0.00 B O
HETATM 760 H1 HOH B 2 5.288 50.532 31.206 1.00 0.00 B H
HETATM 761 H2 HOH B 2 4.621 50.636 29.851 1.00 0.00 B H
HETATM 762 O HOH B 3 19.026 44.162 35.971 1.00 0.00 B O
HETATM 763 H1 HOH B 3 18.679 43.615 35.266 1.00 0.00 B H
HETATM 764 H2 HOH B 3 19.956 43.941 36.010 1.00 0.00 B H
HETATM 765 O HOH B 4 7.194 7.686 42.866 1.00 0.00 B O
HETATM 766 H1 HOH B 4 6.969 8.278 42.149 1.00 0.00 B H
HETATM 767 H2 HOH B 4 6.428 7.702 43.440 1.00 0.00 B H
HETATM 768 O HOH B 5 19.397 19.758 34.153 1.00 0.00 B O
HETATM 769 H1 HOH B 5 19.352 20.291 34.948 1.00 0.00 B H
HETATM 770 H2 HOH B 5 18.483 19.615 33.909 1.00 0.00 B H
HETATM 771 O HOH B 6 0.341 37.854 34.698 1.00 0.00 B O
HETATM 772 H1 HOH B 6 0.859 37.086 34.456 1.00 0.00 B H
HETATM 773 H2 HOH B 6 -0.534 37.508 34.873 1.00 0.00 B H
HETATM 774 O HOH B 7 3.680 16.027 40.346 1.00 0.00 B O
HETATM 775 H1 HOH B 7 3.911 15.450 41.074 1.00 0.00 B H
HETATM 776 H2 HOH B 7 4.331 15.835 39.671 1.00 0.00 B H
HETATM 777 O HOH B 8 -3.579 38.091 32.495 1.00 0.00 B O
HETATM 778 H1 HOH B 8 -3.725 38.419 31.608 1.00 0.00 B H
HETATM 779 H2 HOH B 8 -3.994 38.739 33.063 1.00 0.00 B H
HETATM 780 O HOH B 9 9.033 37.714 28.068 1.00 0.00 B O
HETATM 781 H1 HOH B 9 8.369 37.509 27.409 1.00 0.00 B H
HETATM 782 H2 HOH B 9 9.055 36.942 28.634 1.00 0.00 B H
HETATM 783 O HOH B 10 28.944 21.727 45.475 1.00 0.00 B O
HETATM 784 H1 HOH B 10 28.203 22.198 45.095 1.00 0.00 B H
HETATM 785 H2 HOH B 10 29.530 22.415 45.791 1.00 0.00 B H
HETATM 786 O HOH B 11 23.099 29.964 38.433 1.00 0.00 B O
HETATM 787 H1 HOH B 11 22.639 29.834 37.604 1.00 0.00 B H
HETATM 788 H2 HOH B 11 23.196 29.084 38.795 1.00 0.00 B H
HETATM 789 O HOH B 12 -3.710 20.862 24.991 1.00 0.00 B O
HETATM 790 H1 HOH B 12 -3.928 19.960 24.755 1.00 0.00 B H
HETATM 791 H2 HOH B 12 -2.754 20.872 25.044 1.00 0.00 B H
HETATM 792 O HOH B 13 22.772 22.904 37.121 1.00 0.00 B O
HETATM 793 H1 HOH B 13 22.911 23.492 37.863 1.00 0.00 B H
HETATM 794 H2 HOH B 13 22.936 23.447 36.350 1.00 0.00 B H
HETATM 795 O HOH B 14 -1.670 36.820 27.780 1.00 0.00 B O
HETATM 796 H1 HOH B 14 -1.175 37.121 27.019 1.00 0.00 B H
HETATM 797 H2 HOH B 14 -2.439 37.388 27.807 1.00 0.00 B H
HETATM 798 O HOH B 15 -8.900 9.458 42.998 1.00 0.00 B O
HETATM 799 H1 HOH B 15 -8.563 9.857 43.800 1.00 0.00 B H
HETATM 800 H2 HOH B 15 -8.500 9.964 42.291 1.00 0.00 B H
HETATM 801 O HOH B 16 2.506 8.825 46.046 1.00 0.00 B O
HETATM 802 H1 HOH B 16 2.867 9.582 46.508 1.00 0.00 B H
HETATM 803 H2 HOH B 16 3.002 8.784 45.228 1.00 0.00 B H
HETATM 804 O HOH B 17 -2.557 35.804 23.665 1.00 0.00 B O
HETATM 805 H1 HOH B 17 -1.872 35.184 23.912 1.00 0.00 B H
HETATM 806 H2 HOH B 17 -2.187 36.289 22.927 1.00 0.00 B H
HETATM 807 O HOH B 18 23.472 47.420 40.511 1.00 0.00 B O
HETATM 808 H1 HOH B 18 23.969 47.776 41.247 1.00 0.00 B H
HETATM 809 H2 HOH B 18 22.594 47.787 40.615 1.00 0.00 B H
HETATM 810 O HOH B 19 9.502 27.438 29.200 1.00 0.00 B O
HETATM 811 H1 HOH B 19 9.783 27.171 30.075 1.00 0.00 B H
HETATM 812 H2 HOH B 19 8.547 27.377 29.226 1.00 0.00 B H
HETATM 813 O HOH B 20 2.138 37.628 27.686 1.00 0.00 B O
HETATM 814 H1 HOH B 20 2.516 37.767 26.818 1.00 0.00 B H
HETATM 815 H2 HOH B 20 1.213 37.853 27.585 1.00 0.00 B H
HETATM 816 O HOH B 21 24.354 45.918 43.888 1.00 0.00 B O
HETATM 817 H1 HOH B 21 24.666 45.901 44.794 1.00 0.00 B H
HETATM 818 H2 HOH B 21 24.238 46.848 43.692 1.00 0.00 B H
HETATM 819 O HOH B 22 -1.683 36.091 39.203 1.00 0.00 B O
HETATM 820 H1 HOH B 22 -1.463 36.926 39.616 1.00 0.00 B H
HETATM 821 H2 HOH B 22 -2.620 36.155 39.018 1.00 0.00 B H
HETATM 822 O HOH B 23 -0.058 49.471 34.892 1.00 0.00 B O
HETATM 823 H1 HOH B 23 -0.077 50.316 34.443 1.00 0.00 B H
HETATM 824 H2 HOH B 23 -0.968 49.173 34.882 1.00 0.00 B H
HETATM 825 O HOH B 24 -0.299 25.137 28.352 1.00 0.00 B O
HETATM 826 H1 HOH B 24 -0.948 25.679 28.799 1.00 0.00 B H
HETATM 827 H2 HOH B 24 -0.045 24.481 29.001 1.00 0.00 B H
HETATM 828 O HOH B 25 -8.999 12.085 36.376 1.00 0.00 B O
HETATM 829 H1 HOH B 25 -8.865 12.934 35.955 1.00 0.00 B H
HETATM 830 H2 HOH B 25 -9.073 12.288 37.309 1.00 0.00 B H
HETATM 831 O HOH B 26 -10.662 40.004 39.722 1.00 0.00 B O
HETATM 832 H1 HOH B 26 -11.293 39.288 39.793 1.00 0.00 B H
HETATM 833 H2 HOH B 26 -10.478 40.070 38.785 1.00 0.00 B H
HETATM 834 O HOH B 27 -0.296 35.882 29.934 1.00 0.00 B O
HETATM 835 H1 HOH B 27 0.287 35.456 29.306 1.00 0.00 B H
HETATM 836 H2 HOH B 27 -1.014 36.224 29.402 1.00 0.00 B H
HETATM 837 O HOH B 28 4.539 10.058 29.965 1.00 0.00 B O
HETATM 838 H1 HOH B 28 5.268 10.433 29.472 1.00 0.00 B H
HETATM 839 H2 HOH B 28 4.732 10.270 30.878 1.00 0.00 B H
HETATM 840 O HOH B 29 21.296 29.474 42.104 1.00 0.00 B O
HETATM 841 H1 HOH B 29 21.073 28.547 42.027 1.00 0.00 B H
HETATM 842 H2 HOH B 29 20.873 29.756 42.915 1.00 0.00 B H
HETATM 843 O HOH B 30 -13.428 52.525 37.662 1.00 0.00 B O
HETATM 844 H1 HOH B 30 -13.693 52.850 38.522 1.00 0.00 B H
HETATM 845 H2 HOH B 30 -13.393 51.574 37.765 1.00 0.00 B H
HETATM 846 O HOH B 31 19.113 28.543 39.009 1.00 0.00 B O
HETATM 847 H1 HOH B 31 19.330 27.989 38.260 1.00 0.00 B H
HETATM 848 H2 HOH B 31 18.607 27.973 39.590 1.00 0.00 B H
HETATM 849 O HOH B 32 -4.001 44.977 45.193 1.00 0.00 B O
HETATM 850 H1 HOH B 32 -4.217 44.806 44.277 1.00 0.00 B H
HETATM 851 H2 HOH B 32 -4.824 45.275 45.582 1.00 0.00 B H
HETATM 852 O HOH B 33 1.708 24.765 23.539 1.00 0.00 B O
HETATM 853 H1 HOH B 33 1.667 25.512 22.942 1.00 0.00 B H
HETATM 854 H2 HOH B 33 1.031 24.942 24.193 1.00 0.00 B H
HETATM 855 O HOH B 34 26.925 41.890 25.266 1.00 0.00 B O
HETATM 856 H1 HOH B 34 26.194 41.318 25.033 1.00 0.00 B H
HETATM 857 H2 HOH B 34 27.571 41.304 25.662 1.00 0.00 B H
HETATM 858 O HOH B 35 1.899 37.554 30.486 1.00 0.00 B O
HETATM 859 H1 HOH B 35 1.194 36.977 30.190 1.00 0.00 B H
HETATM 860 H2 HOH B 35 2.312 37.860 29.679 1.00 0.00 B H
HETATM 861 O HOH B 36 19.780 46.773 36.050 1.00 0.00 B O
HETATM 862 H1 HOH B 36 19.499 45.858 36.035 1.00 0.00 B H
HETATM 863 H2 HOH B 36 19.474 47.132 35.217 1.00 0.00 B H
HETATM 864 O HOH B 37 5.285 30.393 26.778 1.00 0.00 B O
HETATM 865 H1 HOH B 37 4.552 30.785 26.304 1.00 0.00 B H
HETATM 866 H2 HOH B 37 5.538 29.638 26.247 1.00 0.00 B H
HETATM 867 O HOH B 38 -11.247 46.230 37.182 1.00 0.00 B O
HETATM 868 H1 HOH B 38 -12.045 46.328 36.664 1.00 0.00 B H
HETATM 869 H2 HOH B 38 -11.254 45.315 37.463 1.00 0.00 B H
HETATM 870 O HOH B 39 18.160 49.472 39.253 1.00 0.00 B O
HETATM 871 H1 HOH B 39 18.199 50.051 38.492 1.00 0.00 B H
HETATM 872 H2 HOH B 39 18.265 48.592 38.891 1.00 0.00 B H
HETATM 873 O HOH B 40 -5.265 29.582 34.760 1.00 0.00 B O
HETATM 874 H1 HOH B 40 -4.546 29.021 34.469 1.00 0.00 B H
HETATM 875 H2 HOH B 40 -5.614 29.963 33.954 1.00 0.00 B H
HETATM 876 O HOH B 41 6.621 32.807 35.090 1.00 0.00 B O
HETATM 877 H1 HOH B 41 5.848 32.283 35.300 1.00 0.00 B H
HETATM 878 H2 HOH B 41 6.574 32.936 34.143 1.00 0.00 B H
HETATM 879 O HOH B 42 16.533 41.400 43.679 1.00 0.00 B O
HETATM 880 H1 HOH B 42 16.846 41.934 44.410 1.00 0.00 B H
HETATM 881 H2 HOH B 42 17.206 40.729 43.567 1.00 0.00 B H
HETATM 882 O HOH B 43 -1.589 22.254 38.694 1.00 0.00 B O
HETATM 883 H1 HOH B 43 -1.995 21.634 39.300 1.00 0.00 B H
HETATM 884 H2 HOH B 43 -0.678 21.968 38.633 1.00 0.00 B H
HETATM 885 O HOH B 44 23.566 24.281 34.925 1.00 0.00 B O
HETATM 886 H1 HOH B 44 22.857 24.922 34.871 1.00 0.00 B H
HETATM 887 H2 HOH B 44 23.497 23.778 34.113 1.00 0.00 B H
HETATM 888 O HOH B 45 -9.528 37.814 43.871 1.00 0.00 B O
HETATM 889 H1 HOH B 45 -9.879 38.555 43.377 1.00 0.00 B H
HETATM 890 H2 HOH B 45 -10.062 37.068 43.596 1.00 0.00 B H
HETATM 891 O HOH B 46 1.301 20.256 24.780 1.00 0.00 B O
HETATM 892 H1 HOH B 46 1.557 21.112 24.435 1.00 0.00 B H
HETATM 893 H2 HOH B 46 0.640 20.453 25.444 1.00 0.00 B H
HETATM 894 O HOH B 47 20.209 41.946 44.784 1.00 0.00 B O
HETATM 895 H1 HOH B 47 19.962 41.482 43.984 1.00 0.00 B H
HETATM 896 H2 HOH B 47 19.397 42.352 45.086 1.00 0.00 B H
HETATM 897 O HOH B 48 -8.445 31.152 44.166 1.00 0.00 B O
HETATM 898 H1 HOH B 48 -9.328 31.209 44.530 1.00 0.00 B H
HETATM 899 H2 HOH B 48 -7.929 30.727 44.851 1.00 0.00 B H
HETATM 900 O HOH B 49 19.128 21.935 39.781 1.00 0.00 B O
HETATM 901 H1 HOH B 49 18.718 21.581 40.570 1.00 0.00 B H
HETATM 902 H2 HOH B 49 19.515 21.174 39.349 1.00 0.00 B H
HETATM 903 O HOH B 50 29.258 51.166 34.680 1.00 0.00 B O
HETATM 904 H1 HOH B 50 28.829 51.195 35.535 1.00 0.00 B H
HETATM 905 H2 HOH B 50 30.036 51.714 34.782 1.00 0.00 B H
HETATM 906 O HOH B 51 10.188 27.500 35.731 1.00 0.00 B O
HETATM 907 H1 HOH B 51 10.797 26.908 36.173 1.00 0.00 B H
HETATM 908 H2 HOH B 51 10.137 27.166 34.835 1.00 0.00 B H
HETATM 909 O HOH B 52 -0.979 45.106 41.627 1.00 0.00 B O
HETATM 910 H1 HOH B 52 -1.048 44.955 40.685 1.00 0.00 B H
HETATM 911 H2 HOH B 52 -1.852 44.907 41.966 1.00 0.00 B H
HETATM 912 O HOH B 53 -5.285 25.417 23.945 1.00 0.00 B O
HETATM 913 H1 HOH B 53 -4.581 25.245 23.320 1.00 0.00 B H
HETATM 914 H2 HOH B 53 -5.169 26.334 24.191 1.00 0.00 B H
HETATM 915 O HOH B 54 8.224 49.347 45.118 1.00 0.00 B O
HETATM 916 H1 HOH B 54 9.067 48.895 45.098 1.00 0.00 B H
HETATM 917 H2 HOH B 54 8.448 50.268 45.248 1.00 0.00 B H
HETATM 918 O HOH B 55 -3.331 21.712 29.404 1.00 0.00 B O
HETATM 919 H1 HOH B 55 -4.053 21.109 29.578 1.00 0.00 B H
HETATM 920 H2 HOH B 55 -3.645 22.260 28.684 1.00 0.00 B H
HETATM 921 O HOH B 56 9.422 31.615 32.169 1.00 0.00 B O
HETATM 922 H1 HOH B 56 9.910 30.838 31.897 1.00 0.00 B H
HETATM 923 H2 HOH B 56 8.556 31.505 31.777 1.00 0.00 B H
HETATM 924 O HOH B 57 -6.483 14.222 40.658 1.00 0.00 B O
HETATM 925 H1 HOH B 57 -6.884 13.428 40.305 1.00 0.00 B H
HETATM 926 H2 HOH B 57 -7.213 14.829 40.773 1.00 0.00 B H
HETATM 927 O HOH B 58 18.673 45.563 40.500 1.00 0.00 B O
HETATM 928 H1 HOH B 58 17.969 45.158 41.007 1.00 0.00 B H
HETATM 929 H2 HOH B 58 19.427 44.989 40.636 1.00 0.00 B H
HETATM 930 O HOH B 59 6.606 10.025 48.628 1.00 0.00 B O
HETATM 931 H1 HOH B 59 6.739 10.535 47.829 1.00 0.00 B H
HETATM 932 H2 HOH B 59 5.664 10.071 48.789 1.00 0.00 B H
HETATM 933 O HOH B 60 16.807 39.115 25.972 1.00 0.00 B O
HETATM 934 H1 HOH B 60 16.608 39.924 26.443 1.00 0.00 B H
HETATM 935 H2 HOH B 60 17.732 38.952 26.154 1.00 0.00 B H
HETATM 936 O HOH B 61 3.048 31.885 26.505 1.00 0.00 B O
HETATM 937 H1 HOH B 61 3.242 32.757 26.161 1.00 0.00 B H
HETATM 938 H2 HOH B 61 2.836 32.032 27.427 1.00 0.00 B H
HETATM 939 O HOH B 62 11.954 8.951 31.375 1.00 0.00 B O
HETATM 940 H1 HOH B 62 12.668 8.354 31.150 1.00 0.00 B H
HETATM 941 H2 HOH B 62 11.249 8.378 31.674 1.00 0.00 B H
HETATM 942 O HOH B 63 24.560 23.498 28.031 1.00 0.00 B O
HETATM 943 H1 HOH B 63 24.725 24.058 27.273 1.00 0.00 B H
HETATM 944 H2 HOH B 63 23.783 22.993 27.793 1.00 0.00 B H
HETATM 945 O HOH B 64 26.515 29.476 31.329 1.00 0.00 B O
HETATM 946 H1 HOH B 64 27.011 28.855 30.795 1.00 0.00 B H
HETATM 947 H2 HOH B 64 25.601 29.320 31.091 1.00 0.00 B H
HETATM 948 O HOH B 65 3.676 23.180 36.968 1.00 0.00 B O
HETATM 949 H1 HOH B 65 3.807 22.985 36.040 1.00 0.00 B H
HETATM 950 H2 HOH B 65 2.987 22.576 37.245 1.00 0.00 B H
HETATM 951 O HOH B 66 1.906 24.777 34.841 1.00 0.00 B O
HETATM 952 H1 HOH B 66 2.471 24.147 34.393 1.00 0.00 B H
HETATM 953 H2 HOH B 66 1.850 25.519 34.240 1.00 0.00 B H
HETATM 954 O HOH B 67 14.324 50.477 31.359 1.00 0.00 B O
HETATM 955 H1 HOH B 67 13.991 50.942 30.592 1.00 0.00 B H
HETATM 956 H2 HOH B 67 13.721 50.714 32.064 1.00 0.00 B H
HETATM 957 O HOH B 68 -1.281 46.713 34.405 1.00 0.00 B O
HETATM 958 H1 HOH B 68 -0.902 46.633 35.280 1.00 0.00 B H
HETATM 959 H2 HOH B 68 -0.537 46.610 33.811 1.00 0.00 B H
HETATM 960 O HOH B 69 11.731 13.930 45.000 1.00 0.00 B O
HETATM 961 H1 HOH B 69 10.864 13.610 45.250 1.00 0.00 B H
HETATM 962 H2 HOH B 69 12.340 13.382 45.495 1.00 0.00 B H
HETATM 963 O HOH B 70 11.229 13.122 30.955 1.00 0.00 B O
HETATM 964 H1 HOH B 70 11.610 13.389 31.792 1.00 0.00 B H
HETATM 965 H2 HOH B 70 10.286 13.097 31.118 1.00 0.00 B H
HETATM 966 O HOH B 71 -9.374 9.505 27.573 1.00 0.00 B O
HETATM 967 H1 HOH B 71 -9.396 9.241 28.493 1.00 0.00 B H
HETATM 968 H2 HOH B 71 -8.872 8.816 27.138 1.00 0.00 B H
HETATM 969 O HOH B 72 29.114 42.468 46.042 1.00 0.00 B O
HETATM 970 H1 HOH B 72 29.151 41.600 46.443 1.00 0.00 B H
HETATM 971 H2 HOH B 72 28.254 42.503 45.623 1.00 0.00 B H
HETATM 972 O HOH B 73 21.920 35.849 28.908 1.00 0.00 B O
HETATM 973 H1 HOH B 73 22.695 36.307 29.234 1.00 0.00 B H
HETATM 974 H2 HOH B 73 21.616 35.331 29.653 1.00 0.00 B H
HETATM 975 O HOH B 74 25.457 39.225 24.856 1.00 0.00 B O
HETATM 976 H1 HOH B 74 24.623 39.659 24.673 1.00 0.00 B H
HETATM 977 H2 HOH B 74 25.596 38.647 24.106 1.00 0.00 B H
HETATM 978 O HOH B 75 7.906 17.913 41.030 1.00 0.00 B O
HETATM 979 H1 HOH B 75 7.891 17.085 40.550 1.00 0.00 B H
HETATM 980 H2 HOH B 75 7.945 17.655 41.952 1.00 0.00 B H
HETATM 981 O HOH B 76 28.963 46.280 33.054 1.00 0.00 B O
HETATM 982 H1 HOH B 76 28.038 46.284 32.808 1.00 0.00 B H
HETATM 983 H2 HOH B 76 29.252 47.183 32.917 1.00 0.00 B H
HETATM 984 O HOH B 77 -8.050 50.388 30.421 1.00 0.00 B O
HETATM 985 H1 HOH B 77 -8.749 50.402 31.074 1.00 0.00 B H
HETATM 986 H2 HOH B 77 -8.278 49.662 29.840 1.00 0.00 B H
HETATM 987 O HOH B 78 21.978 10.725 47.833 1.00 0.00 B O
HETATM 988 H1 HOH B 78 21.737 10.395 48.699 1.00 0.00 B H
HETATM 989 H2 HOH B 78 22.475 10.011 47.434 1.00 0.00 B H
HETATM 990 O HOH B 79 24.211 45.036 39.756 1.00 0.00 B O
HETATM 991 H1 HOH B 79 23.818 45.840 40.095 1.00 0.00 B H
HETATM 992 H2 HOH B 79 23.635 44.772 39.039 1.00 0.00 B H
HETATM 993 O HOH B 80 16.631 32.070 34.204 1.00 0.00 B O
HETATM 994 H1 HOH B 80 15.890 31.922 33.616 1.00 0.00 B H