Browse entries in the PDBbind-CN Database
HEADER 4DRP_COMPLEX COMPND 4DRP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 128 GLY ALA PRO ALA THR VAL THR GLU GLN GLY GLU ASP ILE SEQRES 2 A 128 THR SER LYS LYS ASP ARG GLY VAL LEU LYS ILE VAL LYS SEQRES 3 A 128 ARG VAL GLY ASN GLY GLU GLU THR PRO MET ILE GLY ASP SEQRES 4 A 128 LYS VAL TYR VAL HIS TYR LYS GLY LYS LEU SER ASN GLY SEQRES 5 A 128 LYS LYS PHE ASP SER SER HIS ASP ARG ASN GLU PRO PHE SEQRES 6 A 128 VAL PHE SER LEU GLY LYS GLY GLN VAL ILE LYS ALA TRP SEQRES 7 A 128 ASP ILE GLY VAL ALA THR MET LYS LYS GLY GLU ILE CYS SEQRES 8 A 128 HIS LEU LEU CYS LYS PRO GLU TYR ALA TYR GLY SER ALA SEQRES 9 A 128 GLY SER LEU PRO LYS ILE PRO SER ASN ALA THR LEU PHE SEQRES 10 A 128 PHE GLU ILE GLU LEU LEU ASP PHE LYS GLY GLU HET UNN A 302 90 ATOM 1 N GLY A 13 13.260 24.234 14.660 1.00 22.93 N ATOM 2 CA GLY A 13 13.439 23.356 13.472 1.00 21.56 C ATOM 3 C GLY A 13 12.177 23.248 12.635 1.00 20.96 C ATOM 4 O GLY A 13 11.318 24.137 12.675 1.00 20.74 O ATOM 5 HA3 GLY A 13 13.720 22.359 13.812 1.00 0.00 H ATOM 6 HA2 GLY A 13 14.237 23.765 12.852 1.00 0.00 H ATOM 7 HN3 GLY A 13 12.506 23.849 15.264 1.00 0.00 H ATOM 8 HN2 GLY A 13 13.000 25.191 14.346 1.00 0.00 H ATOM 9 HN1 GLY A 13 14.150 24.274 15.197 1.00 0.00 H ATOM 10 N ALA A 14 12.085 22.165 11.860 1.00 20.10 N ATOM 11 CA ALA A 14 10.965 21.954 10.933 1.00 19.10 C ATOM 12 C ALA A 14 9.588 21.880 11.614 1.00 18.09 C ATOM 13 O ALA A 14 8.621 22.465 11.099 1.00 17.22 O ATOM 14 CB ALA A 14 11.212 20.715 10.045 1.00 18.15 C ATOM 15 HA ALA A 14 10.931 22.844 10.305 1.00 0.00 H ATOM 16 HB1 ALA A 14 12.124 20.860 9.467 1.00 0.00 H ATOM 17 HB2 ALA A 14 11.317 19.832 10.676 1.00 0.00 H ATOM 18 HB3 ALA A 14 10.368 20.581 9.368 1.00 0.00 H ATOM 19 H ALA A 14 12.833 21.445 11.914 1.00 0.00 H ATOM 20 N PRO A 15 9.492 21.186 12.768 1.00 17.24 N ATOM 21 CA PRO A 15 8.217 21.208 13.489 1.00 17.22 C ATOM 22 C PRO A 15 7.751 22.621 13.872 1.00 16.91 C ATOM 23 O PRO A 15 6.569 23.019 13.621 1.00 15.12 O ATOM 24 CB PRO A 15 8.518 20.344 14.721 1.00 17.17 C ATOM 25 CG PRO A 15 9.565 19.365 14.215 1.00 18.19 C ATOM 26 CD PRO A 15 10.438 20.220 13.378 1.00 18.51 C ATOM 27 HA PRO A 15 7.390 20.838 12.883 1.00 0.00 H ATOM 28 HD3 PRO A 15 11.181 20.734 13.988 1.00 0.00 H ATOM 29 HD2 PRO A 15 10.942 19.631 12.612 1.00 0.00 H ATOM 30 HG3 PRO A 15 9.108 18.572 13.623 1.00 0.00 H ATOM 31 HG2 PRO A 15 10.123 18.924 15.041 1.00 0.00 H ATOM 32 HB2 PRO A 15 8.912 20.950 15.537 1.00 0.00 H ATOM 33 HB3 PRO A 15 7.624 19.820 15.059 1.00 0.00 H ATOM 34 N ALA A 16 8.677 23.392 14.439 1.00 16.69 N ATOM 35 CA ALA A 16 8.380 24.759 14.852 1.00 17.18 C ATOM 36 C ALA A 16 7.957 25.647 13.678 1.00 16.62 C ATOM 37 O ALA A 16 7.035 26.456 13.811 1.00 16.44 O ATOM 38 CB ALA A 16 9.597 25.367 15.577 1.00 17.74 C ATOM 39 HA ALA A 16 7.533 24.715 15.537 1.00 0.00 H ATOM 40 HB1 ALA A 16 9.830 24.768 16.458 1.00 0.00 H ATOM 41 HB2 ALA A 16 10.454 25.373 14.903 1.00 0.00 H ATOM 42 HB3 ALA A 16 9.365 26.388 15.881 1.00 0.00 H ATOM 43 H ALA A 16 9.633 23.011 14.591 1.00 0.00 H ATOM 44 N THR A 17 8.628 25.494 12.530 1.00 16.33 N ATOM 45 CA THR A 17 8.217 26.183 11.308 1.00 15.84 C ATOM 46 C THR A 17 6.759 25.864 10.947 1.00 15.06 C ATOM 47 O THR A 17 6.016 26.788 10.533 1.00 14.33 O ATOM 48 CB THR A 17 9.128 25.844 10.131 1.00 17.05 C ATOM 49 OG1 THR A 17 10.475 26.168 10.501 1.00 18.35 O ATOM 50 CG2 THR A 17 8.739 26.656 8.885 1.00 15.08 C ATOM 51 HA THR A 17 8.302 27.251 11.510 1.00 0.00 H ATOM 52 HB THR A 17 9.031 24.785 9.894 1.00 0.00 H ATOM 53 HG1 THR A 17 10.734 25.639 11.296 1.00 0.00 H ATOM 54 HG23 THR A 17 7.715 26.413 8.600 1.00 0.00 H ATOM 55 HG21 THR A 17 8.812 27.720 9.109 1.00 0.00 H ATOM 56 HG22 THR A 17 9.414 26.408 8.066 1.00 0.00 H ATOM 57 H THR A 17 9.460 24.871 12.507 1.00 0.00 H ATOM 58 N VAL A 18 6.352 24.600 11.086 1.00 12.82 N ATOM 59 CA VAL A 18 4.944 24.235 10.761 1.00 12.80 C ATOM 60 C VAL A 18 3.984 24.920 11.744 1.00 12.69 C ATOM 61 O VAL A 18 2.962 25.499 11.332 1.00 13.69 O ATOM 62 CB VAL A 18 4.681 22.685 10.653 1.00 12.39 C ATOM 63 CG1 VAL A 18 3.226 22.418 10.210 1.00 12.03 C ATOM 64 CG2 VAL A 18 5.607 22.063 9.618 1.00 11.22 C ATOM 65 HA VAL A 18 4.750 24.608 9.755 1.00 0.00 H ATOM 66 HB VAL A 18 4.863 22.246 11.634 1.00 0.00 H ATOM 67 HG11 VAL A 18 2.541 22.846 10.942 1.00 0.00 H ATOM 68 HG12 VAL A 18 3.054 22.877 9.237 1.00 0.00 H ATOM 69 HG13 VAL A 18 3.060 21.343 10.140 1.00 0.00 H ATOM 70 HG21 VAL A 18 5.426 22.524 8.647 1.00 0.00 H ATOM 71 HG22 VAL A 18 6.643 22.229 9.913 1.00 0.00 H ATOM 72 HG23 VAL A 18 5.413 20.992 9.555 1.00 0.00 H ATOM 73 H VAL A 18 7.016 23.872 11.420 1.00 0.00 H ATOM 74 N THR A 19 4.337 24.887 13.024 1.00 12.27 N ATOM 75 CA THR A 19 3.562 25.572 14.105 1.00 12.68 C ATOM 76 C THR A 19 3.317 27.057 13.784 1.00 13.29 C ATOM 77 O THR A 19 2.184 27.569 13.895 1.00 13.84 O ATOM 78 CB THR A 19 4.291 25.446 15.476 1.00 12.89 C ATOM 79 OG1 THR A 19 4.204 24.098 15.939 1.00 11.33 O ATOM 80 CG2 THR A 19 3.678 26.376 16.537 1.00 14.77 C ATOM 81 HA THR A 19 2.595 25.073 14.165 1.00 0.00 H ATOM 82 HB THR A 19 5.331 25.736 15.326 1.00 0.00 H ATOM 83 HG1 THR A 19 3.252 23.848 16.046 1.00 0.00 H ATOM 84 HG23 THR A 19 3.740 27.408 16.193 1.00 0.00 H ATOM 85 HG21 THR A 19 2.634 26.106 16.695 1.00 0.00 H ATOM 86 HG22 THR A 19 4.228 26.270 17.472 1.00 0.00 H ATOM 87 H THR A 19 5.194 24.359 13.288 1.00 0.00 H ATOM 88 N GLU A 20 4.378 27.729 13.340 1.00 12.90 N ATOM 89 CA GLU A 20 4.388 29.154 13.075 1.00 14.45 C ATOM 90 C GLU A 20 3.814 29.578 11.729 1.00 14.53 C ATOM 91 O GLU A 20 3.209 30.645 11.657 1.00 15.30 O ATOM 92 CB GLU A 20 5.808 29.715 13.245 1.00 13.68 C ATOM 93 CG GLU A 20 6.262 29.588 14.703 1.00 16.31 C ATOM 94 CD GLU A 20 7.731 29.871 14.929 1.00 21.98 C ATOM 95 OE1 GLU A 20 8.229 29.504 16.008 1.00 24.72 O ATOM 96 OE2 GLU A 20 8.370 30.457 14.046 1.00 24.97 O ATOM 97 HA GLU A 20 3.710 29.580 13.815 1.00 0.00 H ATOM 98 HB2 GLU A 20 6.493 29.159 12.605 1.00 0.00 H ATOM 99 HB3 GLU A 20 5.816 30.766 12.956 1.00 0.00 H ATOM 100 HG2 GLU A 20 5.683 30.291 15.303 1.00 0.00 H ATOM 101 HG3 GLU A 20 6.055 28.571 15.037 1.00 0.00 H ATOM 102 H GLU A 20 5.256 27.197 13.173 1.00 0.00 H ATOM 103 N GLN A 21 3.979 28.745 10.686 1.00 14.35 N ATOM 104 CA GLN A 21 3.607 29.134 9.319 1.00 14.73 C ATOM 105 C GLN A 21 2.575 28.217 8.641 1.00 14.14 C ATOM 106 O GLN A 21 2.054 28.541 7.563 1.00 14.55 O ATOM 107 CB GLN A 21 4.877 29.237 8.446 1.00 15.50 C ATOM 108 CG GLN A 21 5.918 30.217 9.004 1.00 16.36 C ATOM 109 CD GLN A 21 7.162 30.312 8.123 1.00 20.40 C ATOM 110 OE1 GLN A 21 7.123 29.965 6.948 1.00 20.93 O ATOM 111 NE2 GLN A 21 8.264 30.779 8.695 1.00 19.06 N ATOM 112 HA GLN A 21 3.114 30.102 9.411 1.00 0.00 H ATOM 113 HB2 GLN A 21 5.332 28.249 8.379 1.00 0.00 H ATOM 114 HB3 GLN A 21 4.586 29.570 7.450 1.00 0.00 H ATOM 115 HG2 GLN A 21 5.464 31.205 9.077 1.00 0.00 H ATOM 116 HG3 GLN A 21 6.217 29.882 9.997 1.00 0.00 H ATOM 117 HE22 GLN A 21 8.251 31.062 9.696 1.00 0.00 H ATOM 118 HE21 GLN A 21 9.141 30.862 8.143 1.00 0.00 H ATOM 119 H GLN A 21 4.381 27.800 10.852 1.00 0.00 H ATOM 120 N GLY A 22 2.258 27.094 9.289 1.00 13.29 N ATOM 121 CA GLY A 22 1.485 26.008 8.631 1.00 13.24 C ATOM 122 C GLY A 22 0.046 26.428 8.353 1.00 13.54 C ATOM 123 O GLY A 22 -0.510 27.252 9.097 1.00 13.68 O ATOM 124 HA3 GLY A 22 1.479 25.134 9.282 1.00 0.00 H ATOM 125 HA2 GLY A 22 1.967 25.753 7.687 1.00 0.00 H ATOM 126 H GLY A 22 2.559 26.976 10.278 1.00 0.00 H ATOM 127 N GLU A 23 -0.530 25.896 7.265 1.00 13.01 N ATOM 128 CA GLU A 23 -1.964 26.048 6.943 1.00 14.35 C ATOM 129 C GLU A 23 -2.777 25.015 7.692 1.00 13.47 C ATOM 130 O GLU A 23 -2.417 23.838 7.706 1.00 13.10 O ATOM 131 CB GLU A 23 -2.201 25.840 5.440 1.00 14.30 C ATOM 132 CG GLU A 23 -3.646 26.104 5.005 1.00 18.27 C ATOM 133 CD GLU A 23 -3.811 26.091 3.495 1.00 23.32 C ATOM 134 OE1 GLU A 23 -2.812 25.870 2.772 1.00 23.63 O ATOM 135 OE2 GLU A 23 -4.951 26.306 3.039 1.00 26.30 O ATOM 136 HA GLU A 23 -2.268 27.054 7.233 1.00 0.00 H ATOM 137 HB2 GLU A 23 -1.546 26.517 4.891 1.00 0.00 H ATOM 138 HB3 GLU A 23 -1.948 24.809 5.190 1.00 0.00 H ATOM 139 HG2 GLU A 23 -4.287 25.333 5.434 1.00 0.00 H ATOM 140 HG3 GLU A 23 -3.952 27.080 5.382 1.00 0.00 H ATOM 141 H GLU A 23 0.065 25.347 6.612 1.00 0.00 H ATOM 142 N ASP A 24 -3.890 25.445 8.295 1.00 14.08 N ATOM 143 CA ASP A 24 -4.784 24.519 8.972 1.00 14.28 C ATOM 144 C ASP A 24 -5.656 23.847 7.899 1.00 14.87 C ATOM 145 O ASP A 24 -6.452 24.529 7.236 1.00 15.02 O ATOM 146 CB ASP A 24 -5.659 25.296 9.964 1.00 14.87 C ATOM 147 CG ASP A 24 -6.544 24.403 10.798 1.00 15.60 C ATOM 148 OD1 ASP A 24 -6.716 23.227 10.437 1.00 16.39 O ATOM 149 OD2 ASP A 24 -7.134 24.884 11.792 1.00 17.03 O ATOM 150 HA ASP A 24 -4.225 23.764 9.525 1.00 0.00 H ATOM 151 HB2 ASP A 24 -5.009 25.862 10.631 1.00 0.00 H ATOM 152 HB3 ASP A 24 -6.291 25.985 9.404 1.00 0.00 H ATOM 153 H ASP A 24 -4.120 26.459 8.280 1.00 0.00 H ATOM 154 N ILE A 25 -5.476 22.537 7.691 1.00 15.09 N ATOM 155 CA ILE A 25 -6.237 21.818 6.647 1.00 15.44 C ATOM 156 C ILE A 25 -7.384 20.921 7.185 1.00 16.95 C ATOM 157 O ILE A 25 -7.962 20.112 6.437 1.00 16.44 O ATOM 158 CB ILE A 25 -5.301 21.030 5.672 1.00 14.61 C ATOM 159 CG1 ILE A 25 -4.540 19.915 6.437 1.00 13.37 C ATOM 160 CG2 ILE A 25 -4.389 22.005 4.885 1.00 15.49 C ATOM 161 CD1 ILE A 25 -3.737 18.980 5.552 1.00 16.30 C ATOM 162 HA ILE A 25 -6.732 22.606 6.079 1.00 0.00 H ATOM 163 HB ILE A 25 -5.897 20.516 4.918 1.00 0.00 H ATOM 164 HG12 ILE A 25 -3.856 20.390 7.140 1.00 0.00 H ATOM 165 HG13 ILE A 25 -5.269 19.321 6.987 1.00 0.00 H ATOM 166 HD11 ILE A 25 -4.406 18.483 4.849 1.00 0.00 H ATOM 167 HD12 ILE A 25 -2.991 19.554 5.002 1.00 0.00 H ATOM 168 HD13 ILE A 25 -3.239 18.234 6.171 1.00 0.00 H ATOM 169 HG21 ILE A 25 -5.007 22.691 4.305 1.00 0.00 H ATOM 170 HG22 ILE A 25 -3.775 22.571 5.585 1.00 0.00 H ATOM 171 HG23 ILE A 25 -3.746 21.437 4.213 1.00 0.00 H ATOM 172 H ILE A 25 -4.789 22.016 8.273 1.00 0.00 H ATOM 173 N THR A 26 -7.717 21.063 8.475 1.00 17.84 N ATOM 174 CA THR A 26 -8.819 20.303 9.055 1.00 18.96 C ATOM 175 C THR A 26 -10.161 20.875 8.608 1.00 21.02 C ATOM 176 O THR A 26 -10.244 22.062 8.269 1.00 20.77 O ATOM 177 CB THR A 26 -8.766 20.310 10.593 1.00 19.24 C ATOM 178 OG1 THR A 26 -8.806 21.663 11.072 1.00 18.76 O ATOM 179 CG2 THR A 26 -7.499 19.624 11.074 1.00 17.93 C ATOM 180 HA THR A 26 -8.717 19.277 8.703 1.00 0.00 H ATOM 181 HB THR A 26 -9.627 19.767 10.983 1.00 0.00 H ATOM 182 HG1 THR A 26 -8.029 22.162 10.714 1.00 0.00 H ATOM 183 HG23 THR A 26 -7.480 18.599 10.705 1.00 0.00 H ATOM 184 HG21 THR A 26 -6.630 20.164 10.698 1.00 0.00 H ATOM 185 HG22 THR A 26 -7.481 19.619 12.164 1.00 0.00 H ATOM 186 H THR A 26 -7.182 21.725 9.072 1.00 0.00 H ATOM 187 N SER A 27 -11.202 20.036 8.603 1.00 22.89 N ATOM 188 CA SER A 27 -12.567 20.497 8.328 1.00 25.61 C ATOM 189 C SER A 27 -13.087 21.393 9.445 1.00 26.65 C ATOM 190 O SER A 27 -13.829 22.356 9.192 1.00 28.24 O ATOM 191 CB SER A 27 -13.528 19.317 8.154 1.00 25.85 C ATOM 192 OG SER A 27 -13.374 18.748 6.871 1.00 31.02 O ATOM 193 HA SER A 27 -12.523 21.068 7.400 1.00 0.00 H ATOM 194 HB2 SER A 27 -14.554 19.667 8.272 1.00 0.00 H ATOM 195 HB3 SER A 27 -13.313 18.563 8.911 1.00 0.00 H ATOM 196 HG SER A 27 -14.000 17.987 6.771 1.00 0.00 H ATOM 197 H SER A 27 -11.039 19.028 8.800 1.00 0.00 H ATOM 198 N LYS A 28 -12.705 21.056 10.675 1.00 27.25 N ATOM 199 CA LYS A 28 -13.148 21.760 11.878 1.00 27.68 C ATOM 200 C LYS A 28 -12.336 23.023 12.206 1.00 27.39 C ATOM 201 O LYS A 28 -12.678 23.740 13.156 1.00 28.17 O ATOM 202 CB LYS A 28 -13.097 20.821 13.083 1.00 27.70 C ATOM 203 CG LYS A 28 -14.047 19.626 13.020 1.00 30.09 C ATOM 204 CD LYS A 28 -14.263 19.019 14.407 1.00 31.25 C ATOM 205 CE LYS A 28 -13.353 17.825 14.665 1.00 32.33 C ATOM 206 NZ LYS A 28 -13.726 17.100 15.929 1.00 33.63 N ATOM 207 HA LYS A 28 -14.167 22.083 11.667 1.00 0.00 H ATOM 208 HB2 LYS A 28 -12.080 20.439 13.170 1.00 0.00 H ATOM 209 HB3 LYS A 28 -13.343 21.401 13.973 1.00 0.00 H ATOM 210 HG2 LYS A 28 -15.007 19.955 12.622 1.00 0.00 H ATOM 211 HG3 LYS A 28 -13.622 18.868 12.362 1.00 0.00 H ATOM 212 HD2 LYS A 28 -14.062 19.782 15.159 1.00 0.00 H ATOM 213 HD3 LYS A 28 -15.300 18.694 14.490 1.00 0.00 H ATOM 214 HE2 LYS A 28 -12.325 18.177 14.750 1.00 0.00 H ATOM 215 HE3 LYS A 28 -13.431 17.134 13.826 1.00 0.00 H ATOM 216 HZ1 LYS A 28 -13.648 17.751 16.736 1.00 0.00 H ATOM 217 HZ2 LYS A 28 -14.704 16.755 15.854 1.00 0.00 H ATOM 218 HZ3 LYS A 28 -13.083 16.295 16.068 1.00 0.00 H ATOM 219 H LYS A 28 -12.058 20.250 10.786 1.00 0.00 H ATOM 220 N LYS A 29 -11.291 23.296 11.422 1.00 25.71 N ATOM 221 CA LYS A 29 -10.335 24.391 11.684 1.00 24.94 C ATOM 222 C LYS A 29 -9.908 24.454 13.150 1.00 23.67 C ATOM 223 O LYS A 29 -10.021 25.493 13.818 1.00 23.92 O ATOM 224 CB LYS A 29 -10.856 25.752 11.166 1.00 26.23 C ATOM 225 CG LYS A 29 -11.171 25.769 9.667 1.00 28.18 C ATOM 226 CD LYS A 29 -9.924 25.437 8.836 1.00 29.99 C ATOM 227 CE LYS A 29 -10.273 25.266 7.369 1.00 33.25 C ATOM 228 NZ LYS A 29 -9.111 24.684 6.622 1.00 36.80 N ATOM 229 HA LYS A 29 -9.435 24.161 11.113 1.00 0.00 H ATOM 230 HB2 LYS A 29 -11.767 26.000 11.711 1.00 0.00 H ATOM 231 HB3 LYS A 29 -10.097 26.508 11.366 1.00 0.00 H ATOM 232 HG2 LYS A 29 -11.946 25.031 9.457 1.00 0.00 H ATOM 233 HG3 LYS A 29 -11.530 26.760 9.390 1.00 0.00 H ATOM 234 HD2 LYS A 29 -9.202 26.247 8.938 1.00 0.00 H ATOM 235 HD3 LYS A 29 -9.485 24.511 9.208 1.00 0.00 H ATOM 236 HE2 LYS A 29 -10.524 26.237 6.943 1.00 0.00 H ATOM 237 HE3 LYS A 29 -11.130 24.598 7.278 1.00 0.00 H ATOM 238 HZ1 LYS A 29 -8.293 25.321 6.705 1.00 0.00 H ATOM 239 HZ2 LYS A 29 -8.871 23.756 7.025 1.00 0.00 H ATOM 240 HZ3 LYS A 29 -9.365 24.573 5.620 1.00 0.00 H ATOM 241 H LYS A 29 -11.141 22.705 10.580 1.00 0.00 H ATOM 242 N ASP A 30 -9.396 23.324 13.641 1.00 21.38 N ATOM 243 CA ASP A 30 -9.001 23.210 15.039 1.00 20.37 C ATOM 244 C ASP A 30 -7.484 23.116 15.217 1.00 18.26 C ATOM 245 O ASP A 30 -7.003 22.708 16.282 1.00 17.50 O ATOM 246 CB ASP A 30 -9.724 22.008 15.701 1.00 20.69 C ATOM 247 CG ASP A 30 -9.458 20.669 14.979 1.00 20.68 C ATOM 248 OD1 ASP A 30 -10.197 19.694 15.215 1.00 22.73 O ATOM 249 OD2 ASP A 30 -8.495 20.580 14.191 1.00 21.46 O ATOM 250 HA ASP A 30 -9.308 24.127 15.542 1.00 0.00 H ATOM 251 HB2 ASP A 30 -9.380 21.921 16.732 1.00 0.00 H ATOM 252 HB3 ASP A 30 -10.797 22.200 15.692 1.00 0.00 H ATOM 253 H ASP A 30 -9.276 22.505 13.011 1.00 0.00 H ATOM 254 N ARG A 31 -6.743 23.504 14.173 1.00 16.60 N ATOM 255 CA ARG A 31 -5.272 23.375 14.120 1.00 14.91 C ATOM 256 C ARG A 31 -4.753 21.951 14.308 1.00 14.97 C ATOM 257 O ARG A 31 -3.574 21.734 14.627 1.00 13.72 O ATOM 258 CB ARG A 31 -4.556 24.353 15.090 1.00 15.26 C ATOM 259 CG ARG A 31 -4.491 25.813 14.604 1.00 15.00 C ATOM 260 CD ARG A 31 -3.848 26.741 15.670 1.00 13.76 C ATOM 261 NE ARG A 31 -2.416 26.493 15.942 1.00 11.24 N ATOM 262 CZ ARG A 31 -1.416 26.896 15.147 1.00 11.98 C ATOM 263 NH1 ARG A 31 -1.678 27.497 13.987 1.00 13.56 N ATOM 264 NH2 ARG A 31 -0.157 26.643 15.480 1.00 17.35 N ATOM 265 HA ARG A 31 -5.018 23.656 13.098 1.00 0.00 H ATOM 266 HB2 ARG A 31 -5.086 24.336 16.042 1.00 0.00 H ATOM 267 HB3 ARG A 31 -3.536 23.999 15.237 1.00 0.00 H ATOM 268 HG2 ARG A 31 -3.896 25.856 13.692 1.00 0.00 H ATOM 269 HG3 ARG A 31 -5.502 26.162 14.394 1.00 0.00 H ATOM 270 HD2 ARG A 31 -4.396 26.612 16.604 1.00 0.00 H ATOM 271 HD3 ARG A 31 -3.953 27.771 15.328 1.00 0.00 H ATOM 272 HE ARG A 31 -2.169 25.972 16.807 1.00 0.00 H ATOM 273 HH12 ARG A 31 -0.897 27.808 13.374 1.00 0.00 H ATOM 274 HH11 ARG A 31 -2.663 27.656 13.694 1.00 0.00 H ATOM 275 HH22 ARG A 31 0.618 26.957 14.861 1.00 0.00 H ATOM 276 HH21 ARG A 31 0.055 26.131 16.360 1.00 0.00 H ATOM 277 H ARG A 31 -7.229 23.920 13.353 1.00 0.00 H ATOM 278 N GLY A 32 -5.625 20.963 14.106 1.00 14.14 N ATOM 279 CA GLY A 32 -5.235 19.572 14.364 1.00 14.41 C ATOM 280 C GLY A 32 -4.247 18.979 13.373 1.00 13.12 C ATOM 281 O GLY A 32 -3.510 18.047 13.703 1.00 12.79 O ATOM 282 HA3 GLY A 32 -6.137 18.961 14.347 1.00 0.00 H ATOM 283 HA2 GLY A 32 -4.785 19.527 15.356 1.00 0.00 H ATOM 284 H GLY A 32 -6.584 21.178 13.765 1.00 0.00 H ATOM 285 N VAL A 33 -4.255 19.515 12.149 1.00 12.71 N ATOM 286 CA VAL A 33 -3.346 19.092 11.073 1.00 11.64 C ATOM 287 C VAL A 33 -2.896 20.370 10.365 1.00 11.28 C ATOM 288 O VAL A 33 -3.695 21.069 9.765 1.00 11.11 O ATOM 289 CB VAL A 33 -4.046 18.178 10.033 1.00 11.70 C ATOM 290 CG1 VAL A 33 -3.037 17.682 9.010 1.00 11.67 C ATOM 291 CG2 VAL A 33 -4.700 16.974 10.736 1.00 12.27 C ATOM 292 HA VAL A 33 -2.521 18.523 11.501 1.00 0.00 H ATOM 293 HB VAL A 33 -4.817 18.758 9.526 1.00 0.00 H ATOM 294 HG11 VAL A 33 -2.593 18.535 8.496 1.00 0.00 H ATOM 295 HG12 VAL A 33 -2.256 17.115 9.517 1.00 0.00 H ATOM 296 HG13 VAL A 33 -3.541 17.042 8.286 1.00 0.00 H ATOM 297 HG21 VAL A 33 -3.934 16.400 11.258 1.00 0.00 H ATOM 298 HG22 VAL A 33 -5.440 17.331 11.453 1.00 0.00 H ATOM 299 HG23 VAL A 33 -5.187 16.342 9.993 1.00 0.00 H ATOM 300 H VAL A 33 -4.940 20.271 11.947 1.00 0.00 H ATOM 301 N LEU A 34 -1.609 20.667 10.461 1.00 10.41 N ATOM 302 CA LEU A 34 -1.040 21.895 9.872 1.00 10.70 C ATOM 303 C LEU A 34 -0.055 21.483 8.771 1.00 10.95 C ATOM 304 O LEU A 34 0.654 20.489 8.930 1.00 11.43 O ATOM 305 CB LEU A 34 -0.317 22.709 10.971 1.00 10.52 C ATOM 306 CG LEU A 34 -1.195 23.300 12.090 1.00 9.59 C ATOM 307 CD1 LEU A 34 -0.327 23.975 13.142 1.00 8.73 C ATOM 308 CD2 LEU A 34 -2.162 24.332 11.472 1.00 13.03 C ATOM 309 HA LEU A 34 -1.826 22.519 9.447 1.00 0.00 H ATOM 310 HB2 LEU A 34 0.416 22.052 11.439 1.00 0.00 H ATOM 311 HB3 LEU A 34 0.198 23.537 10.483 1.00 0.00 H ATOM 312 HG LEU A 34 -1.760 22.500 12.569 1.00 0.00 H ATOM 313 HD21 LEU A 34 -1.588 25.126 10.995 1.00 0.00 H ATOM 314 HD22 LEU A 34 -2.791 23.840 10.730 1.00 0.00 H ATOM 315 HD23 LEU A 34 -2.788 24.756 12.257 1.00 0.00 H ATOM 316 HD11 LEU A 34 0.355 23.242 13.574 1.00 0.00 H ATOM 317 HD12 LEU A 34 0.246 24.777 12.678 1.00 0.00 H ATOM 318 HD13 LEU A 34 -0.963 24.387 13.926 1.00 0.00 H ATOM 319 H LEU A 34 -0.979 20.014 10.968 1.00 0.00 H ATOM 320 N LYS A 35 -0.025 22.228 7.663 1.00 12.04 N ATOM 321 CA LYS A 35 0.760 21.839 6.474 1.00 11.71 C ATOM 322 C LYS A 35 1.573 22.995 5.888 1.00 12.50 C ATOM 323 O LYS A 35 1.092 24.130 5.799 1.00 12.96 O ATOM 324 CB LYS A 35 -0.185 21.258 5.392 1.00 11.20 C ATOM 325 CG LYS A 35 0.468 20.894 4.091 1.00 12.53 C ATOM 326 CD LYS A 35 -0.587 20.531 2.995 1.00 10.32 C ATOM 327 CE LYS A 35 0.172 20.008 1.771 1.00 8.80 C ATOM 328 NZ LYS A 35 -0.632 19.974 0.507 1.00 11.86 N ATOM 329 HA LYS A 35 1.476 21.083 6.798 1.00 0.00 H ATOM 330 HB2 LYS A 35 -0.649 20.359 5.798 1.00 0.00 H ATOM 331 HB3 LYS A 35 -0.955 22.001 5.185 1.00 0.00 H ATOM 332 HG2 LYS A 35 1.061 21.740 3.744 1.00 0.00 H ATOM 333 HG3 LYS A 35 1.121 20.036 4.251 1.00 0.00 H ATOM 334 HD2 LYS A 35 -1.262 19.762 3.370 1.00 0.00 H ATOM 335 HD3 LYS A 35 -1.162 21.417 2.725 1.00 0.00 H ATOM 336 HE2 LYS A 35 0.509 18.994 1.987 1.00 0.00 H ATOM 337 HE3 LYS A 35 1.037 20.650 1.607 1.00 0.00 H ATOM 338 HZ1 LYS A 35 -1.457 19.354 0.639 1.00 0.00 H ATOM 339 HZ2 LYS A 35 -0.953 20.936 0.276 1.00 0.00 H ATOM 340 HZ3 LYS A 35 -0.042 19.608 -0.268 1.00 0.00 H ATOM 341 H LYS A 35 -0.573 23.112 7.637 1.00 0.00 H ATOM 342 N ILE A 36 2.800 22.680 5.486 1.00 13.64 N ATOM 343 CA ILE A 36 3.609 23.551 4.615 1.00 14.74 C ATOM 344 C ILE A 36 4.092 22.732 3.437 1.00 15.25 C ATOM 345 O ILE A 36 4.685 21.672 3.615 1.00 14.99 O ATOM 346 CB ILE A 36 4.849 24.148 5.304 1.00 15.03 C ATOM 347 CG1 ILE A 36 4.508 24.818 6.635 1.00 15.40 C ATOM 348 CG2 ILE A 36 5.563 25.187 4.367 1.00 16.96 C ATOM 349 CD1 ILE A 36 5.759 25.497 7.261 1.00 12.62 C ATOM 350 HA ILE A 36 2.966 24.382 4.324 1.00 0.00 H ATOM 351 HB ILE A 36 5.521 23.314 5.507 1.00 0.00 H ATOM 352 HG12 ILE A 36 3.740 25.573 6.467 1.00 0.00 H ATOM 353 HG13 ILE A 36 4.129 24.065 7.326 1.00 0.00 H ATOM 354 HD11 ILE A 36 6.529 24.746 7.437 1.00 0.00 H ATOM 355 HD12 ILE A 36 6.140 26.256 6.577 1.00 0.00 H ATOM 356 HD13 ILE A 36 5.483 25.964 8.206 1.00 0.00 H ATOM 357 HG21 ILE A 36 5.876 24.691 3.448 1.00 0.00 H ATOM 358 HG22 ILE A 36 4.871 25.994 4.128 1.00 0.00 H ATOM 359 HG23 ILE A 36 6.436 25.594 4.877 1.00 0.00 H ATOM 360 H ILE A 36 3.208 21.777 5.801 1.00 0.00 H ATOM 361 N VAL A 37 3.850 23.248 2.230 1.00 15.83 N ATOM 362 CA VAL A 37 4.441 22.686 1.022 1.00 16.26 C ATOM 363 C VAL A 37 5.905 23.135 0.923 1.00 17.07 C ATOM 364 O VAL A 37 6.215 24.345 0.845 1.00 16.43 O ATOM 365 CB VAL A 37 3.691 23.125 -0.247 1.00 17.12 C ATOM 366 CG1 VAL A 37 4.411 22.586 -1.512 1.00 18.48 C ATOM 367 CG2 VAL A 37 2.242 22.651 -0.211 1.00 16.43 C ATOM 368 HA VAL A 37 4.372 21.600 1.090 1.00 0.00 H ATOM 369 HB VAL A 37 3.689 24.214 -0.286 1.00 0.00 H ATOM 370 HG11 VAL A 37 5.427 22.978 -1.545 1.00 0.00 H ATOM 371 HG12 VAL A 37 4.442 21.497 -1.475 1.00 0.00 H ATOM 372 HG13 VAL A 37 3.868 22.905 -2.401 1.00 0.00 H ATOM 373 HG21 VAL A 37 2.218 21.563 -0.147 1.00 0.00 H ATOM 374 HG22 VAL A 37 1.743 23.078 0.659 1.00 0.00 H ATOM 375 HG23 VAL A 37 1.733 22.974 -1.119 1.00 0.00 H ATOM 376 H VAL A 37 3.223 24.074 2.149 1.00 0.00 H ATOM 377 N LYS A 38 6.794 22.144 0.901 1.00 16.15 N ATOM 378 CA LYS A 38 8.242 22.379 0.839 1.00 16.19 C ATOM 379 C LYS A 38 8.791 22.286 -0.581 1.00 16.38 C ATOM 380 O LYS A 38 9.789 22.948 -0.944 1.00 17.28 O ATOM 381 CB LYS A 38 8.981 21.363 1.704 1.00 16.97 C ATOM 382 CG LYS A 38 8.493 21.233 3.143 1.00 16.75 C ATOM 383 CD LYS A 38 8.615 22.522 3.951 1.00 20.03 C ATOM 384 CE LYS A 38 10.039 23.007 4.120 1.00 21.25 C ATOM 385 NZ LYS A 38 10.069 23.958 5.251 1.00 24.22 N ATOM 386 HA LYS A 38 8.404 23.392 1.206 1.00 0.00 H ATOM 387 HB2 LYS A 38 8.885 20.387 1.229 1.00 0.00 H ATOM 388 HB3 LYS A 38 10.032 21.650 1.732 1.00 0.00 H ATOM 389 HG2 LYS A 38 7.445 20.935 3.126 1.00 0.00 H ATOM 390 HG3 LYS A 38 9.081 20.460 3.637 1.00 0.00 H ATOM 391 HD2 LYS A 38 8.045 23.300 3.444 1.00 0.00 H ATOM 392 HD3 LYS A 38 8.191 22.349 4.940 1.00 0.00 H ATOM 393 HE2 LYS A 38 10.371 23.505 3.209 1.00 0.00 H ATOM 394 HE3 LYS A 38 10.695 22.162 4.330 1.00 0.00 H ATOM 395 HZ1 LYS A 38 9.439 24.759 5.045 1.00 0.00 H ATOM 396 HZ2 LYS A 38 9.749 23.477 6.116 1.00 0.00 H ATOM 397 HZ3 LYS A 38 11.040 24.305 5.385 1.00 0.00 H ATOM 398 H LYS A 38 6.449 21.163 0.929 1.00 0.00 H ATOM 399 N ARG A 39 8.181 21.421 -1.366 1.00 16.11 N ATOM 400 CA ARG A 39 8.483 21.346 -2.782 1.00 16.54 C ATOM 401 C ARG A 39 7.185 21.185 -3.521 1.00 16.54 C ATOM 402 O ARG A 39 6.437 20.279 -3.246 1.00 13.77 O ATOM 403 CB ARG A 39 9.422 20.159 -3.073 1.00 17.22 C ATOM 404 CG ARG A 39 9.836 20.054 -4.552 1.00 18.66 C ATOM 405 CD ARG A 39 10.799 18.876 -4.794 1.00 19.69 C ATOM 406 NE ARG A 39 10.057 17.612 -4.886 1.00 20.88 N ATOM 407 CZ ARG A 39 10.601 16.403 -4.746 1.00 23.09 C ATOM 408 NH1 ARG A 39 11.902 16.275 -4.484 1.00 21.85 N ATOM 409 NH2 ARG A 39 9.836 15.317 -4.834 1.00 22.57 N ATOM 410 HA ARG A 39 8.992 22.253 -3.107 1.00 0.00 H ATOM 411 HB2 ARG A 39 10.322 20.274 -2.469 1.00 0.00 H ATOM 412 HB3 ARG A 39 8.912 19.238 -2.791 1.00 0.00 H ATOM 413 HG2 ARG A 39 8.942 19.910 -5.160 1.00 0.00 H ATOM 414 HG3 ARG A 39 10.329 20.980 -4.847 1.00 0.00 H ATOM 415 HD2 ARG A 39 11.507 18.817 -3.968 1.00 0.00 H ATOM 416 HD3 ARG A 39 11.341 19.042 -5.725 1.00 0.00 H ATOM 417 HE ARG A 39 9.035 17.664 -5.074 1.00 0.00 H ATOM 418 HH12 ARG A 39 12.320 15.329 -4.376 1.00 0.00 H ATOM 419 HH11 ARG A 39 12.499 17.121 -4.388 1.00 0.00 H ATOM 420 HH22 ARG A 39 10.259 14.373 -4.725 1.00 0.00 H ATOM 421 HH21 ARG A 39 8.816 15.413 -5.012 1.00 0.00 H ATOM 422 H ARG A 39 7.469 20.780 -0.962 1.00 0.00 H ATOM 423 N VAL A 40 6.907 22.098 -4.454 1.00 16.70 N ATOM 424 CA VAL A 40 5.737 21.989 -5.299 1.00 17.59 C ATOM 425 C VAL A 40 5.875 20.776 -6.227 1.00 18.55 C ATOM 426 O VAL A 40 6.926 20.561 -6.833 1.00 20.08 O ATOM 427 CB VAL A 40 5.538 23.319 -6.116 1.00 17.41 C ATOM 428 CG1 VAL A 40 4.417 23.216 -7.119 1.00 20.41 C ATOM 429 CG2 VAL A 40 5.292 24.475 -5.160 1.00 17.20 C ATOM 430 HA VAL A 40 4.852 21.841 -4.680 1.00 0.00 H ATOM 431 HB VAL A 40 6.452 23.499 -6.682 1.00 0.00 H ATOM 432 HG11 VAL A 40 4.636 22.416 -7.826 1.00 0.00 H ATOM 433 HG12 VAL A 40 3.485 22.997 -6.599 1.00 0.00 H ATOM 434 HG13 VAL A 40 4.323 24.160 -7.655 1.00 0.00 H ATOM 435 HG21 VAL A 40 4.397 24.274 -4.572 1.00 0.00 H ATOM 436 HG22 VAL A 40 6.149 24.583 -4.495 1.00 0.00 H ATOM 437 HG23 VAL A 40 5.155 25.394 -5.730 1.00 0.00 H ATOM 438 H VAL A 40 7.547 22.908 -4.577 1.00 0.00 H ATOM 439 N GLY A 41 4.812 19.990 -6.328 1.00 19.22 N ATOM 440 CA GLY A 41 4.783 18.838 -7.220 1.00 20.51 C ATOM 441 C GLY A 41 4.428 19.267 -8.629 1.00 22.21 C ATOM 442 O GLY A 41 3.713 20.262 -8.820 1.00 22.87 O ATOM 443 HA3 GLY A 41 4.039 18.126 -6.863 1.00 0.00 H ATOM 444 HA2 GLY A 41 5.764 18.363 -7.226 1.00 0.00 H ATOM 445 H GLY A 41 3.972 20.202 -5.752 1.00 0.00 H ATOM 446 N ASN A 42 4.912 18.514 -9.614 1.00 23.66 N ATOM 447 CA ASN A 42 4.603 18.792 -11.012 1.00 25.28 C ATOM 448 C ASN A 42 3.276 18.168 -11.454 1.00 25.01 C ATOM 449 O ASN A 42 2.733 18.541 -12.503 1.00 24.91 O ATOM 450 CB ASN A 42 5.747 18.329 -11.935 1.00 27.20 C ATOM 451 CG ASN A 42 7.070 19.066 -11.674 1.00 29.43 C ATOM 452 OD1 ASN A 42 7.101 20.269 -11.390 1.00 34.40 O ATOM 453 ND2 ASN A 42 8.173 18.335 -11.789 1.00 33.75 N ATOM 454 HA ASN A 42 4.497 19.873 -11.097 1.00 0.00 H ATOM 455 HB2 ASN A 42 5.908 17.262 -11.780 1.00 0.00 H ATOM 456 HB3 ASN A 42 5.451 18.504 -12.969 1.00 0.00 H ATOM 457 HD22 ASN A 42 8.105 17.325 -12.029 1.00 0.00 H ATOM 458 HD21 ASN A 42 9.105 18.772 -11.639 1.00 0.00 H ATOM 459 H ASN A 42 5.526 17.707 -9.381 1.00 0.00 H ATOM 460 N GLY A 43 2.765 17.218 -10.664 1.00 24.30 N ATOM 461 CA GLY A 43 1.452 16.595 -10.913 1.00 24.09 C ATOM 462 C GLY A 43 0.300 17.587 -10.958 1.00 24.44 C ATOM 463 O GLY A 43 0.279 18.551 -10.188 1.00 24.93 O ATOM 464 HA3 GLY A 43 1.256 15.876 -10.117 1.00 0.00 H ATOM 465 HA2 GLY A 43 1.495 16.074 -11.869 1.00 0.00 H ATOM 466 H GLY A 43 3.317 16.905 -9.840 1.00 0.00 H ATOM 467 N GLU A 44 -0.654 17.355 -11.862 1.00 24.82 N ATOM 468 CA GLU A 44 -1.782 18.270 -12.087 1.00 24.92 C ATOM 469 C GLU A 44 -2.889 18.202 -11.050 1.00 23.97 C ATOM 470 O GLU A 44 -3.382 19.241 -10.603 1.00 23.96 O ATOM 471 CB GLU A 44 -2.400 18.060 -13.473 1.00 26.42 C ATOM 472 CG GLU A 44 -1.727 18.856 -14.571 1.00 29.09 C ATOM 473 CD GLU A 44 -2.414 18.698 -15.920 1.00 33.92 C ATOM 474 OE1 GLU A 44 -3.623 19.002 -16.023 1.00 35.59 O ATOM 475 OE2 GLU A 44 -1.737 18.284 -16.883 1.00 36.22 O ATOM 476 HA GLU A 44 -1.333 19.260 -12.003 1.00 0.00 H ATOM 477 HB2 GLU A 44 -2.330 17.002 -13.724 1.00 0.00 H ATOM 478 HB3 GLU A 44 -3.449 18.353 -13.430 1.00 0.00 H ATOM 479 HG2 GLU A 44 -1.739 19.910 -14.295 1.00 0.00 H ATOM 480 HG3 GLU A 44 -0.695 18.518 -14.664 1.00 0.00 H ATOM 481 H GLU A 44 -0.597 16.488 -12.433 1.00 0.00 H ATOM 482 N GLU A 45 -3.274 16.981 -10.676 1.00 22.98 N ATOM 483 CA GLU A 45 -4.466 16.753 -9.862 1.00 22.09 C ATOM 484 C GLU A 45 -4.130 15.948 -8.592 1.00 21.07 C ATOM 485 O GLU A 45 -3.150 15.189 -8.547 1.00 20.99 O ATOM 486 CB GLU A 45 -5.557 16.055 -10.715 1.00 22.61 C ATOM 487 CG GLU A 45 -6.162 16.985 -11.795 1.00 23.74 C ATOM 488 CD GLU A 45 -7.149 16.332 -12.774 1.00 27.38 C ATOM 489 OE1 GLU A 45 -8.054 15.573 -12.350 1.00 26.65 O ATOM 490 OE2 GLU A 45 -7.043 16.636 -13.990 1.00 26.48 O ATOM 491 HA GLU A 45 -4.855 17.715 -9.529 1.00 0.00 H ATOM 492 HB2 GLU A 45 -5.113 15.190 -11.209 1.00 0.00 H ATOM 493 HB3 GLU A 45 -6.357 15.723 -10.053 1.00 0.00 H ATOM 494 HG2 GLU A 45 -6.685 17.793 -11.284 1.00 0.00 H ATOM 495 HG3 GLU A 45 -5.339 17.398 -12.378 1.00 0.00 H ATOM 496 H GLU A 45 -2.706 16.162 -10.974 1.00 0.00 H ATOM 497 N THR A 46 -4.925 16.145 -7.548 1.00 20.00 N ATOM 498 CA THR A 46 -4.794 15.334 -6.331 1.00 20.23 C ATOM 499 C THR A 46 -5.308 13.901 -6.556 1.00 19.99 C ATOM 500 O THR A 46 -6.124 13.663 -7.474 1.00 20.63 O ATOM 501 CB THR A 46 -5.586 15.942 -5.152 1.00 19.24 C ATOM 502 OG1 THR A 46 -6.941 16.108 -5.544 1.00 21.36 O ATOM 503 CG2 THR A 46 -4.997 17.280 -4.732 1.00 20.17 C ATOM 504 HA THR A 46 -3.731 15.317 -6.090 1.00 0.00 H ATOM 505 HB THR A 46 -5.525 15.267 -4.298 1.00 0.00 H ATOM 506 HG1 THR A 46 -7.455 16.497 -4.793 1.00 0.00 H ATOM 507 HG23 THR A 46 -3.958 17.141 -4.434 1.00 0.00 H ATOM 508 HG21 THR A 46 -5.046 17.976 -5.570 1.00 0.00 H ATOM 509 HG22 THR A 46 -5.567 17.679 -3.893 1.00 0.00 H ATOM 510 H THR A 46 -5.653 16.886 -7.592 1.00 0.00 H ATOM 511 N PRO A 47 -4.832 12.935 -5.732 1.00 20.20 N ATOM 512 CA PRO A 47 -5.353 11.581 -5.912 1.00 20.53 C ATOM 513 C PRO A 47 -6.835 11.517 -5.555 1.00 20.91 C ATOM 514 O PRO A 47 -7.327 12.380 -4.824 1.00 21.31 O ATOM 515 CB PRO A 47 -4.506 10.709 -4.955 1.00 20.35 C ATOM 516 CG PRO A 47 -3.572 11.642 -4.219 1.00 19.85 C ATOM 517 CD PRO A 47 -3.643 12.998 -4.854 1.00 19.53 C ATOM 518 HA PRO A 47 -5.282 11.241 -6.945 1.00 0.00 H ATOM 519 HD3 PRO A 47 -3.764 13.772 -4.097 1.00 0.00 H ATOM 520 HD2 PRO A 47 -2.744 13.198 -5.437 1.00 0.00 H ATOM 521 HG3 PRO A 47 -2.552 11.262 -4.279 1.00 0.00 H ATOM 522 HG2 PRO A 47 -3.872 11.711 -3.173 1.00 0.00 H ATOM 523 HB2 PRO A 47 -5.154 10.192 -4.247 1.00 0.00 H ATOM 524 HB3 PRO A 47 -3.933 9.977 -5.524 1.00 0.00 H ATOM 525 N MET A 48 -7.539 10.535 -6.122 1.00 21.49 N ATOM 526 CA MET A 48 -8.948 10.306 -5.813 1.00 21.32 C ATOM 527 C MET A 48 -8.998 9.391 -4.605 1.00 21.12 C ATOM 528 O MET A 48 -8.093 8.614 -4.399 1.00 20.73 O ATOM 529 CB MET A 48 -9.655 9.616 -6.983 1.00 21.51 C ATOM 530 CG MET A 48 -9.716 10.417 -8.277 1.00 22.16 C ATOM 531 SD MET A 48 -10.741 11.890 -8.107 1.00 20.26 S ATOM 532 CE MET A 48 -12.401 11.204 -8.074 1.00 21.71 C ATOM 533 HA MET A 48 -9.446 11.257 -5.623 1.00 0.00 H ATOM 534 HB2 MET A 48 -9.130 8.683 -7.190 1.00 0.00 H ATOM 535 HB3 MET A 48 -10.677 9.396 -6.675 1.00 0.00 H ATOM 536 HG2 MET A 48 -10.132 9.787 -9.063 1.00 0.00 H ATOM 537 HG3 MET A 48 -8.706 10.720 -8.552 1.00 0.00 H ATOM 538 HE1 MET A 48 -12.587 10.662 -9.001 1.00 0.00 H ATOM 539 HE2 MET A 48 -12.494 10.522 -7.229 1.00 0.00 H ATOM 540 HE3 MET A 48 -13.125 12.013 -7.972 1.00 0.00 H ATOM 541 H MET A 48 -7.068 9.911 -6.808 1.00 0.00 H ATOM 542 N ILE A 49 -10.083 9.443 -3.842 1.00 21.30 N ATOM 543 CA ILE A 49 -10.277 8.506 -2.734 1.00 21.35 C ATOM 544 C ILE A 49 -10.265 7.070 -3.267 1.00 20.86 C ATOM 545 O ILE A 49 -10.856 6.803 -4.301 1.00 20.50 O ATOM 546 CB ILE A 49 -11.586 8.809 -2.001 1.00 22.32 C ATOM 547 CG1 ILE A 49 -11.716 10.325 -1.816 1.00 24.95 C ATOM 548 CG2 ILE A 49 -11.667 8.035 -0.683 1.00 22.88 C ATOM 549 CD1 ILE A 49 -12.848 10.749 -0.950 1.00 28.03 C ATOM 550 HA ILE A 49 -9.461 8.619 -2.020 1.00 0.00 H ATOM 551 HB ILE A 49 -12.435 8.471 -2.596 1.00 0.00 H ATOM 552 HG12 ILE A 49 -10.791 10.694 -1.372 1.00 0.00 H ATOM 553 HG13 ILE A 49 -11.852 10.777 -2.798 1.00 0.00 H ATOM 554 HD11 ILE A 49 -13.786 10.402 -1.384 1.00 0.00 H ATOM 555 HD12 ILE A 49 -12.725 10.318 0.044 1.00 0.00 H ATOM 556 HD13 ILE A 49 -12.861 11.836 -0.877 1.00 0.00 H ATOM 557 HG21 ILE A 49 -11.619 6.965 -0.888 1.00 0.00 H ATOM 558 HG22 ILE A 49 -10.832 8.321 -0.043 1.00 0.00 H ATOM 559 HG23 ILE A 49 -12.607 8.269 -0.183 1.00 0.00 H ATOM 560 H ILE A 49 -10.809 10.163 -4.035 1.00 0.00 H ATOM 561 N GLY A 50 -9.558 6.165 -2.585 1.00 20.08 N ATOM 562 CA GLY A 50 -9.359 4.810 -3.087 1.00 20.52 C ATOM 563 C GLY A 50 -8.053 4.570 -3.836 1.00 20.88 C ATOM 564 O GLY A 50 -7.582 3.437 -3.922 1.00 20.36 O ATOM 565 HA3 GLY A 50 -10.181 4.579 -3.764 1.00 0.00 H ATOM 566 HA2 GLY A 50 -9.388 4.129 -2.236 1.00 0.00 H ATOM 567 H GLY A 50 -9.138 6.433 -1.672 1.00 0.00 H ATOM 568 N ASP A 51 -7.467 5.617 -4.406 1.00 20.31 N ATOM 569 CA ASP A 51 -6.270 5.401 -5.214 1.00 21.12 C ATOM 570 C ASP A 51 -5.138 4.797 -4.398 1.00 20.83 C ATOM 571 O ASP A 51 -5.068 4.992 -3.184 1.00 19.96 O ATOM 572 CB ASP A 51 -5.778 6.698 -5.840 1.00 20.82 C ATOM 573 CG ASP A 51 -6.669 7.185 -6.970 1.00 21.35 C ATOM 574 OD1 ASP A 51 -7.624 6.476 -7.389 1.00 23.04 O ATOM 575 OD2 ASP A 51 -6.402 8.291 -7.450 1.00 19.96 O ATOM 576 HA ASP A 51 -6.557 4.703 -6.000 1.00 0.00 H ATOM 577 HB2 ASP A 51 -5.744 7.466 -5.068 1.00 0.00 H ATOM 578 HB3 ASP A 51 -4.774 6.536 -6.233 1.00 0.00 H ATOM 579 H ASP A 51 -7.854 6.574 -4.279 1.00 0.00 H ATOM 580 N LYS A 52 -4.272 4.053 -5.088 1.00 20.71 N ATOM 581 CA LYS A 52 -3.086 3.475 -4.483 1.00 20.94 C ATOM 582 C LYS A 52 -2.022 4.568 -4.490 1.00 19.82 C ATOM 583 O LYS A 52 -1.646 5.064 -5.556 1.00 19.71 O ATOM 584 CB LYS A 52 -2.633 2.264 -5.297 1.00 21.95 C ATOM 585 CG LYS A 52 -1.582 1.398 -4.629 1.00 24.37 C ATOM 586 CD LYS A 52 -1.240 0.201 -5.512 1.00 28.65 C ATOM 587 CE LYS A 52 -0.196 -0.718 -4.864 1.00 31.25 C ATOM 588 NZ LYS A 52 0.266 -1.840 -5.781 1.00 34.11 N ATOM 589 HA LYS A 52 -3.275 3.132 -3.466 1.00 0.00 H ATOM 590 HB2 LYS A 52 -3.507 1.643 -5.495 1.00 0.00 H ATOM 591 HB3 LYS A 52 -2.224 2.625 -6.241 1.00 0.00 H ATOM 592 HG2 LYS A 52 -0.682 1.990 -4.461 1.00 0.00 H ATOM 593 HG3 LYS A 52 -1.965 1.042 -3.673 1.00 0.00 H ATOM 594 HD2 LYS A 52 -2.149 -0.373 -5.693 1.00 0.00 H ATOM 595 HD3 LYS A 52 -0.846 0.565 -6.461 1.00 0.00 H ATOM 596 HE2 LYS A 52 -0.632 -1.160 -3.968 1.00 0.00 H ATOM 597 HE3 LYS A 52 0.670 -0.117 -4.587 1.00 0.00 H ATOM 598 HZ1 LYS A 52 -0.550 -2.428 -6.046 1.00 0.00 H ATOM 599 HZ2 LYS A 52 0.693 -1.433 -6.637 1.00 0.00 H ATOM 600 HZ3 LYS A 52 0.969 -2.424 -5.285 1.00 0.00 H ATOM 601 H LYS A 52 -4.453 3.881 -6.097 1.00 0.00 H ATOM 602 N VAL A 53 -1.593 4.993 -3.303 1.00 19.03 N ATOM 603 CA VAL A 53 -0.548 6.032 -3.195 1.00 18.00 C ATOM 604 C VAL A 53 0.813 5.477 -2.747 1.00 18.52 C ATOM 605 O VAL A 53 0.883 4.575 -1.908 1.00 18.74 O ATOM 606 CB VAL A 53 -0.997 7.227 -2.288 1.00 17.83 C ATOM 607 CG1 VAL A 53 -2.267 7.852 -2.852 1.00 17.26 C ATOM 608 CG2 VAL A 53 -1.219 6.763 -0.851 1.00 18.93 C ATOM 609 HA VAL A 53 -0.411 6.414 -4.207 1.00 0.00 H ATOM 610 HB VAL A 53 -0.206 7.977 -2.279 1.00 0.00 H ATOM 611 HG11 VAL A 53 -2.074 8.216 -3.861 1.00 0.00 H ATOM 612 HG12 VAL A 53 -3.058 7.102 -2.880 1.00 0.00 H ATOM 613 HG13 VAL A 53 -2.575 8.683 -2.217 1.00 0.00 H ATOM 614 HG21 VAL A 53 -1.994 5.997 -0.834 1.00 0.00 H ATOM 615 HG22 VAL A 53 -0.290 6.351 -0.456 1.00 0.00 H ATOM 616 HG23 VAL A 53 -1.530 7.611 -0.241 1.00 0.00 H ATOM 617 H VAL A 53 -2.001 4.586 -2.437 1.00 0.00 H ATOM 618 N TYR A 54 1.879 6.035 -3.325 1.00 18.18 N ATOM 619 CA TYR A 54 3.257 5.622 -3.077 1.00 19.00 C ATOM 620 C TYR A 54 3.952 6.811 -2.430 1.00 18.16 C ATOM 621 O TYR A 54 4.038 7.885 -3.040 1.00 18.43 O ATOM 622 CB TYR A 54 3.964 5.297 -4.398 1.00 19.83 C ATOM 623 CG TYR A 54 3.420 4.063 -5.090 1.00 21.58 C ATOM 624 CD1 TYR A 54 4.105 2.844 -5.020 1.00 23.47 C ATOM 625 CD2 TYR A 54 2.220 4.110 -5.792 1.00 24.19 C ATOM 626 CE1 TYR A 54 3.601 1.694 -5.644 1.00 27.24 C ATOM 627 CE2 TYR A 54 1.706 2.977 -6.423 1.00 24.92 C ATOM 628 CZ TYR A 54 2.398 1.774 -6.342 1.00 27.68 C ATOM 629 OH TYR A 54 1.894 0.659 -6.971 1.00 31.07 O ATOM 630 HA TYR A 54 3.284 4.734 -2.445 1.00 0.00 H ATOM 631 HB3 TYR A 54 5.023 5.139 -4.193 1.00 0.00 H ATOM 632 HB2 TYR A 54 3.849 6.148 -5.069 1.00 0.00 H ATOM 633 HD2 TYR A 54 1.671 5.050 -5.850 1.00 0.00 H ATOM 634 HE2 TYR A 54 0.768 3.035 -6.976 1.00 0.00 H ATOM 635 HE1 TYR A 54 4.143 0.750 -5.584 1.00 0.00 H ATOM 636 HD1 TYR A 54 5.045 2.788 -4.472 1.00 0.00 H ATOM 637 HH TYR A 54 2.501 -0.108 -6.817 1.00 0.00 H ATOM 638 H TYR A 54 1.717 6.814 -3.995 1.00 0.00 H ATOM 639 N VAL A 55 4.386 6.651 -1.190 1.00 18.35 N ATOM 640 CA VAL A 55 5.075 7.745 -0.485 1.00 17.87 C ATOM 641 C VAL A 55 6.425 7.354 0.124 1.00 18.12 C ATOM 642 O VAL A 55 6.696 6.170 0.368 1.00 19.57 O ATOM 643 CB VAL A 55 4.177 8.401 0.637 1.00 17.39 C ATOM 644 CG1 VAL A 55 2.809 8.863 0.077 1.00 16.61 C ATOM 645 CG2 VAL A 55 4.014 7.462 1.790 1.00 16.86 C ATOM 646 HA VAL A 55 5.269 8.474 -1.272 1.00 0.00 H ATOM 647 HB VAL A 55 4.686 9.295 0.998 1.00 0.00 H ATOM 648 HG11 VAL A 55 2.970 9.600 -0.710 1.00 0.00 H ATOM 649 HG12 VAL A 55 2.276 8.004 -0.332 1.00 0.00 H ATOM 650 HG13 VAL A 55 2.221 9.309 0.879 1.00 0.00 H ATOM 651 HG21 VAL A 55 3.538 6.544 1.445 1.00 0.00 H ATOM 652 HG22 VAL A 55 4.993 7.230 2.209 1.00 0.00 H ATOM 653 HG23 VAL A 55 3.393 7.930 2.553 1.00 0.00 H ATOM 654 H VAL A 55 4.239 5.742 -0.708 1.00 0.00 H ATOM 655 N HIS A 56 7.287 8.359 0.310 1.00 17.69 N ATOM 656 CA HIS A 56 8.432 8.270 1.211 1.00 16.87 C ATOM 657 C HIS A 56 8.158 9.260 2.348 1.00 16.14 C ATOM 658 O HIS A 56 7.631 10.343 2.091 1.00 15.90 O ATOM 659 CB HIS A 56 9.741 8.607 0.498 1.00 17.70 C ATOM 660 CG HIS A 56 10.515 7.402 0.034 1.00 19.28 C ATOM 661 ND1 HIS A 56 10.793 6.330 0.861 1.00 18.38 N ATOM 662 CD2 HIS A 56 11.117 7.127 -1.151 1.00 21.40 C ATOM 663 CE1 HIS A 56 11.502 5.433 0.192 1.00 22.01 C ATOM 664 NE2 HIS A 56 11.716 5.895 -1.030 1.00 22.01 N ATOM 665 HA HIS A 56 8.549 7.253 1.586 1.00 0.00 H ATOM 666 HB2 HIS A 56 9.509 9.221 -0.372 1.00 0.00 H ATOM 667 HB3 HIS A 56 10.369 9.174 1.185 1.00 0.00 H ATOM 668 HD2 HIS A 56 11.124 7.765 -2.035 1.00 0.00 H ATOM 669 HE1 HIS A 56 11.850 4.476 0.582 1.00 0.00 H ATOM 670 H HIS A 56 7.135 9.246 -0.212 1.00 0.00 H ATOM 671 N TYR A 57 8.488 8.889 3.588 1.00 15.35 N ATOM 672 CA TYR A 57 8.261 9.750 4.758 1.00 15.17 C ATOM 673 C TYR A 57 9.399 9.718 5.792 1.00 15.88 C ATOM 674 O TYR A 57 10.207 8.754 5.856 1.00 15.67 O ATOM 675 CB TYR A 57 6.909 9.417 5.428 1.00 15.60 C ATOM 676 CG TYR A 57 6.920 8.061 6.137 1.00 15.01 C ATOM 677 CD1 TYR A 57 7.355 7.947 7.456 1.00 18.13 C ATOM 678 CD2 TYR A 57 6.524 6.893 5.467 1.00 16.40 C ATOM 679 CE1 TYR A 57 7.398 6.698 8.106 1.00 17.19 C ATOM 680 CE2 TYR A 57 6.574 5.636 6.105 1.00 17.96 C ATOM 681 CZ TYR A 57 6.990 5.562 7.426 1.00 17.41 C ATOM 682 OH TYR A 57 7.025 4.340 8.053 1.00 16.60 O ATOM 683 HA TYR A 57 8.237 10.770 4.373 1.00 0.00 H ATOM 684 HB3 TYR A 57 6.134 9.404 4.662 1.00 0.00 H ATOM 685 HB2 TYR A 57 6.682 10.192 6.160 1.00 0.00 H ATOM 686 HD2 TYR A 57 6.172 6.958 4.437 1.00 0.00 H ATOM 687 HE2 TYR A 57 6.289 4.733 5.566 1.00 0.00 H ATOM 688 HE1 TYR A 57 7.749 6.626 9.135 1.00 0.00 H ATOM 689 HD1 TYR A 57 7.668 8.841 7.995 1.00 0.00 H ATOM 690 HH TYR A 57 7.341 4.457 8.984 1.00 0.00 H ATOM 691 H TYR A 57 8.922 7.955 3.731 1.00 0.00 H ATOM 692 N LYS A 58 9.481 10.802 6.563 1.00 16.06 N ATOM 693 CA LYS A 58 10.275 10.877 7.794 1.00 15.85 C ATOM 694 C LYS A 58 9.296 11.222 8.913 1.00 15.02 C ATOM 695 O LYS A 58 8.444 12.081 8.729 1.00 15.54 O ATOM 696 CB LYS A 58 11.323 11.975 7.701 1.00 16.16 C ATOM 697 CG LYS A 58 12.365 11.740 6.645 1.00 17.71 C ATOM 698 CD LYS A 58 13.007 13.047 6.246 1.00 19.15 C ATOM 699 CE LYS A 58 14.163 12.793 5.249 1.00 21.17 C ATOM 700 NZ LYS A 58 15.015 14.029 5.182 1.00 18.58 N ATOM 701 HA LYS A 58 10.794 9.935 7.970 1.00 0.00 H ATOM 702 HB2 LYS A 58 10.816 12.914 7.479 1.00 0.00 H ATOM 703 HB3 LYS A 58 11.824 12.053 8.666 1.00 0.00 H ATOM 704 HG2 LYS A 58 13.129 11.068 7.036 1.00 0.00 H ATOM 705 HG3 LYS A 58 11.897 11.287 5.771 1.00 0.00 H ATOM 706 HD2 LYS A 58 12.260 13.687 5.776 1.00 0.00 H ATOM 707 HD3 LYS A 58 13.400 13.541 7.134 1.00 0.00 H ATOM 708 HE2 LYS A 58 13.756 12.573 4.262 1.00 0.00 H ATOM 709 HE3 LYS A 58 14.764 11.950 5.589 1.00 0.00 H ATOM 710 HZ1 LYS A 58 14.436 14.830 4.859 1.00 0.00 H ATOM 711 HZ2 LYS A 58 15.399 14.236 6.126 1.00 0.00 H ATOM 712 HZ3 LYS A 58 15.797 13.873 4.515 1.00 0.00 H ATOM 713 H LYS A 58 8.949 11.647 6.274 1.00 0.00 H ATOM 714 N GLY A 59 9.358 10.503 10.029 1.00 14.88 N ATOM 715 CA GLY A 59 8.405 10.731 11.161 1.00 14.39 C ATOM 716 C GLY A 59 9.218 11.137 12.380 1.00 15.01 C ATOM 717 O GLY A 59 10.169 10.453 12.747 1.00 16.06 O ATOM 718 HA3 GLY A 59 7.853 9.815 11.372 1.00 0.00 H ATOM 719 HA2 GLY A 59 7.704 11.524 10.902 1.00 0.00 H ATOM 720 H GLY A 59 10.085 9.765 10.118 1.00 0.00 H ATOM 721 N LYS A 60 8.864 12.254 13.004 1.00 15.13 N ATOM 722 CA LYS A 60 9.535 12.707 14.221 1.00 15.45 C ATOM 723 C LYS A 60 8.523 13.028 15.316 1.00 16.48 C ATOM 724 O LYS A 60 7.397 13.437 15.029 1.00 14.51 O ATOM 725 CB LYS A 60 10.362 13.971 13.949 1.00 16.27 C ATOM 726 CG LYS A 60 11.411 13.829 12.837 1.00 17.59 C ATOM 727 CD LYS A 60 12.271 15.079 12.721 1.00 19.28 C ATOM 728 CE LYS A 60 13.415 14.861 11.688 1.00 20.74 C ATOM 729 NZ LYS A 60 14.401 15.971 11.775 1.00 19.53 N ATOM 730 HA LYS A 60 10.188 11.897 14.547 1.00 0.00 H ATOM 731 HB2 LYS A 60 9.677 14.771 13.668 1.00 0.00 H ATOM 732 HB3 LYS A 60 10.878 14.243 14.870 1.00 0.00 H ATOM 733 HG2 LYS A 60 12.052 12.977 13.061 1.00 0.00 H ATOM 734 HG3 LYS A 60 10.902 13.659 11.888 1.00 0.00 H ATOM 735 HD2 LYS A 60 11.649 15.914 12.397 1.00 0.00 H ATOM 736 HD3 LYS A 60 12.705 15.307 13.694 1.00 0.00 H ATOM 737 HE2 LYS A 60 12.993 14.831 10.683 1.00 0.00 H ATOM 738 HE3 LYS A 60 13.916 13.916 11.899 1.00 0.00 H ATOM 739 HZ1 LYS A 60 13.925 16.873 11.572 1.00 0.00 H ATOM 740 HZ2 LYS A 60 14.806 15.999 12.733 1.00 0.00 H ATOM 741 HZ3 LYS A 60 15.160 15.814 11.081 1.00 0.00 H ATOM 742 H LYS A 60 8.086 12.824 12.615 1.00 0.00 H ATOM 743 N LEU A 61 8.924 12.848 16.570 1.00 18.05 N ATOM 744 CA LEU A 61 8.129 13.381 17.683 1.00 20.67 C ATOM 745 C LEU A 61 8.227 14.905 17.614 1.00 22.07 C ATOM 746 O LEU A 61 9.117 15.422 16.936 1.00 22.95 O ATOM 747 CB LEU A 61 8.617 12.816 19.033 1.00 20.48 C ATOM 748 CG LEU A 61 8.622 11.281 19.212 1.00 20.04 C ATOM 749 CD1 LEU A 61 9.120 10.938 20.622 1.00 21.56 C ATOM 750 CD2 LEU A 61 7.255 10.596 18.951 1.00 17.79 C ATOM 751 HA LEU A 61 7.085 13.078 17.602 1.00 0.00 H ATOM 752 HB2 LEU A 61 9.639 13.164 19.181 1.00 0.00 H ATOM 753 HB3 LEU A 61 7.977 13.232 19.811 1.00 0.00 H ATOM 754 HG LEU A 61 9.294 10.887 18.450 1.00 0.00 H ATOM 755 HD21 LEU A 61 6.513 10.993 19.644 1.00 0.00 H ATOM 756 HD22 LEU A 61 6.940 10.794 17.926 1.00 0.00 H ATOM 757 HD23 LEU A 61 7.354 9.521 19.100 1.00 0.00 H ATOM 758 HD11 LEU A 61 10.130 11.325 20.753 1.00 0.00 H ATOM 759 HD12 LEU A 61 8.458 11.390 21.360 1.00 0.00 H ATOM 760 HD13 LEU A 61 9.125 9.856 20.751 1.00 0.00 H ATOM 761 H LEU A 61 9.804 12.328 16.763 1.00 0.00 H ATOM 762 N SER A 62 7.314 15.625 18.276 1.00 24.42 N ATOM 763 CA SER A 62 7.322 17.101 18.245 1.00 26.21 C ATOM 764 C SER A 62 8.693 17.676 18.600 1.00 27.15 C ATOM 765 O SER A 62 9.135 18.651 17.975 1.00 27.86 O ATOM 766 CB SER A 62 6.242 17.687 19.171 1.00 26.94 C ATOM 767 OG SER A 62 6.403 17.230 20.504 1.00 28.78 O ATOM 768 HA SER A 62 7.095 17.392 17.219 1.00 0.00 H ATOM 769 HB2 SER A 62 5.260 17.384 18.808 1.00 0.00 H ATOM 770 HB3 SER A 62 6.314 18.775 19.157 1.00 0.00 H ATOM 771 HG SER A 62 7.292 17.506 20.841 1.00 0.00 H ATOM 772 H SER A 62 6.581 15.133 18.826 1.00 0.00 H ATOM 773 N ASN A 63 9.362 17.053 19.575 1.00 27.76 N ATOM 774 CA ASN A 63 10.714 17.449 20.024 1.00 29.11 C ATOM 775 C ASN A 63 11.856 17.226 19.018 1.00 28.63 C ATOM 776 O ASN A 63 13.020 17.550 19.312 1.00 29.53 O ATOM 777 CB ASN A 63 11.065 16.766 21.359 1.00 29.51 C ATOM 778 CG ASN A 63 11.245 15.242 21.234 1.00 30.76 C ATOM 779 OD1 ASN A 63 11.286 14.672 20.135 1.00 29.93 O ATOM 780 ND2 ASN A 63 11.371 14.584 22.378 1.00 30.81 N ATOM 781 HA ASN A 63 10.643 18.531 20.139 1.00 0.00 H ATOM 782 HB2 ASN A 63 11.994 17.195 21.734 1.00 0.00 H ATOM 783 HB3 ASN A 63 10.263 16.963 22.070 1.00 0.00 H ATOM 784 HD22 ASN A 63 11.331 15.099 23.281 1.00 0.00 H ATOM 785 HD21 ASN A 63 11.510 13.553 22.373 1.00 0.00 H ATOM 786 H ASN A 63 8.906 16.244 20.044 1.00 0.00 H ATOM 787 N GLY A 64 11.524 16.653 17.861 1.00 28.09 N ATOM 788 CA GLY A 64 12.492 16.387 16.792 1.00 27.65 C ATOM 789 C GLY A 64 13.121 14.990 16.754 1.00 27.41 C ATOM 790 O GLY A 64 13.831 14.667 15.800 1.00 26.89 O ATOM 791 HA3 GLY A 64 13.302 17.110 16.894 1.00 0.00 H ATOM 792 HA2 GLY A 64 11.983 16.545 15.841 1.00 0.00 H ATOM 793 H GLY A 64 10.532 16.382 17.709 1.00 0.00 H ATOM 794 N LYS A 65 12.878 14.162 17.778 1.00 27.34 N ATOM 795 CA LYS A 65 13.406 12.777 17.802 1.00 27.02 C ATOM 796 C LYS A 65 12.790 11.892 16.710 1.00 26.09 C ATOM 797 O LYS A 65 11.572 11.721 16.647 1.00 24.96 O ATOM 798 CB LYS A 65 13.209 12.124 19.175 1.00 28.04 C ATOM 799 CG LYS A 65 13.608 10.642 19.257 1.00 29.51 C ATOM 800 CD LYS A 65 13.732 10.152 20.704 1.00 32.46 C ATOM 801 CE LYS A 65 12.371 9.859 21.313 1.00 33.76 C ATOM 802 NZ LYS A 65 12.455 9.128 22.613 1.00 35.72 N ATOM 803 HA LYS A 65 14.474 12.859 17.600 1.00 0.00 H ATOM 804 HB2 LYS A 65 13.807 12.675 19.900 1.00 0.00 H ATOM 805 HB3 LYS A 65 12.155 12.205 19.439 1.00 0.00 H ATOM 806 HG2 LYS A 65 12.850 10.046 18.749 1.00 0.00 H ATOM 807 HG3 LYS A 65 14.568 10.509 18.758 1.00 0.00 H ATOM 808 HD2 LYS A 65 14.330 9.241 20.719 1.00 0.00 H ATOM 809 HD3 LYS A 65 14.227 10.921 21.297 1.00 0.00 H ATOM 810 HE2 LYS A 65 11.800 9.253 20.610 1.00 0.00 H ATOM 811 HE3 LYS A 65 11.854 10.804 21.479 1.00 0.00 H ATOM 812 HZ1 LYS A 65 12.938 8.218 22.467 1.00 0.00 H ATOM 813 HZ2 LYS A 65 12.990 9.700 23.297 1.00 0.00 H ATOM 814 HZ3 LYS A 65 11.495 8.958 22.977 1.00 0.00 H ATOM 815 H LYS A 65 12.304 14.499 18.577 1.00 0.00 H ATOM 816 N LYS A 66 13.641 11.324 15.857 1.00 25.24 N ATOM 817 CA LYS A 66 13.179 10.451 14.760 1.00 25.12 C ATOM 818 C LYS A 66 12.564 9.151 15.292 1.00 24.66 C ATOM 819 O LYS A 66 13.120 8.529 16.223 1.00 25.19 O ATOM 820 CB LYS A 66 14.354 10.162 13.807 1.00 25.28 C ATOM 821 CG LYS A 66 14.039 9.295 12.585 1.00 27.87 C ATOM 822 CD LYS A 66 15.345 8.676 12.063 1.00 30.14 C ATOM 823 CE LYS A 66 15.249 8.229 10.613 1.00 31.27 C ATOM 824 NZ LYS A 66 16.560 7.659 10.124 1.00 32.48 N ATOM 825 HA LYS A 66 12.393 10.969 14.211 1.00 0.00 H ATOM 826 HB2 LYS A 66 14.733 11.119 13.447 1.00 0.00 H ATOM 827 HB3 LYS A 66 15.131 9.657 14.381 1.00 0.00 H ATOM 828 HG2 LYS A 66 13.346 8.503 12.867 1.00 0.00 H ATOM 829 HG3 LYS A 66 13.588 9.910 11.806 1.00 0.00 H ATOM 830 HD2 LYS A 66 16.140 9.417 12.147 1.00 0.00 H ATOM 831 HD3 LYS A 66 15.591 7.811 12.679 1.00 0.00 H ATOM 832 HE2 LYS A 66 14.982 9.086 9.994 1.00 0.00 H ATOM 833 HE3 LYS A 66 14.476 7.465 10.527 1.00 0.00 H ATOM 834 HZ1 LYS A 66 17.301 8.385 10.198 1.00 0.00 H ATOM 835 HZ2 LYS A 66 16.818 6.837 10.707 1.00 0.00 H ATOM 836 HZ3 LYS A 66 16.460 7.364 9.132 1.00 0.00 H ATOM 837 H LYS A 66 14.660 11.501 15.967 1.00 0.00 H ATOM 838 N PHE A 67 11.419 8.744 14.730 1.00 23.46 N ATOM 839 CA PHE A 67 10.831 7.455 15.107 1.00 23.22 C ATOM 840 C PHE A 67 10.741 6.438 13.986 1.00 23.64 C ATOM 841 O PHE A 67 10.698 5.240 14.252 1.00 24.08 O ATOM 842 CB PHE A 67 9.501 7.579 15.895 1.00 22.46 C ATOM 843 CG PHE A 67 8.356 8.163 15.114 1.00 19.13 C ATOM 844 CD1 PHE A 67 7.696 7.426 14.114 1.00 16.60 C ATOM 845 CD2 PHE A 67 7.883 9.428 15.430 1.00 19.44 C ATOM 846 CE1 PHE A 67 6.631 7.988 13.402 1.00 17.66 C ATOM 847 CE2 PHE A 67 6.799 10.009 14.717 1.00 19.01 C ATOM 848 CZ PHE A 67 6.169 9.283 13.712 1.00 20.11 C ATOM 849 HA PHE A 67 11.564 7.045 15.801 1.00 0.00 H ATOM 850 HB2 PHE A 67 9.211 6.583 16.229 1.00 0.00 H ATOM 851 HB3 PHE A 67 9.679 8.214 16.763 1.00 0.00 H ATOM 852 HD2 PHE A 67 8.351 9.987 16.240 1.00 0.00 H ATOM 853 HE2 PHE A 67 6.463 11.018 14.957 1.00 0.00 H ATOM 854 HZ PHE A 67 5.326 9.711 13.169 1.00 0.00 H ATOM 855 HE1 PHE A 67 6.155 7.421 12.602 1.00 0.00 H ATOM 856 HD1 PHE A 67 8.017 6.408 13.892 1.00 0.00 H ATOM 857 H PHE A 67 10.946 9.344 14.024 1.00 0.00 H ATOM 858 N ASP A 68 10.718 6.909 12.737 1.00 23.02 N ATOM 859 CA ASP A 68 10.694 6.010 11.588 1.00 23.35 C ATOM 860 C ASP A 68 10.860 6.786 10.298 1.00 23.15 C ATOM 861 O ASP A 68 10.469 7.942 10.212 1.00 22.22 O ATOM 862 CB ASP A 68 9.403 5.191 11.533 1.00 23.47 C ATOM 863 CG ASP A 68 9.525 3.990 10.627 1.00 25.79 C ATOM 864 OD1 ASP A 68 10.221 3.025 11.005 1.00 29.72 O ATOM 865 OD2 ASP A 68 8.929 3.992 9.540 1.00 27.49 O ATOM 866 HA ASP A 68 11.529 5.320 11.705 1.00 0.00 H ATOM 867 HB2 ASP A 68 9.162 4.848 12.539 1.00 0.00 H ATOM 868 HB3 ASP A 68 8.599 5.828 11.165 1.00 0.00 H ATOM 869 H ASP A 68 10.717 7.937 12.580 1.00 0.00 H ATOM 870 N SER A 69 11.439 6.125 9.302 1.00 23.12 N ATOM 871 CA SER A 69 11.566 6.690 7.966 1.00 23.28 C ATOM 872 C SER A 69 11.598 5.561 6.955 1.00 23.17 C ATOM 873 O SER A 69 12.359 4.601 7.107 1.00 22.09 O ATOM 874 CB SER A 69 12.838 7.536 7.857 1.00 23.65 C ATOM 875 OG SER A 69 13.106 7.903 6.508 1.00 24.62 O ATOM 876 HA SER A 69 10.713 7.338 7.766 1.00 0.00 H ATOM 877 HB2 SER A 69 13.680 6.961 8.242 1.00 0.00 H ATOM 878 HB3 SER A 69 12.714 8.440 8.453 1.00 0.00 H ATOM 879 HG SER A 69 12.347 8.430 6.154 1.00 0.00 H ATOM 880 H SER A 69 11.814 5.172 9.482 1.00 0.00 H ATOM 881 N SER A 70 10.766 5.678 5.925 1.00 23.20 N ATOM 882 CA SER A 70 10.755 4.697 4.856 1.00 24.16 C ATOM 883 C SER A 70 12.107 4.636 4.125 1.00 25.69 C ATOM 884 O SER A 70 12.458 3.592 3.571 1.00 26.85 O ATOM 885 CB SER A 70 9.621 4.991 3.882 1.00 23.22 C ATOM 886 OG SER A 70 9.806 6.273 3.326 1.00 21.94 O ATOM 887 HA SER A 70 10.587 3.717 5.302 1.00 0.00 H ATOM 888 HB2 SER A 70 8.668 4.957 4.411 1.00 0.00 H ATOM 889 HB3 SER A 70 9.621 4.245 3.087 1.00 0.00 H ATOM 890 HG SER A 70 10.672 6.302 2.846 1.00 0.00 H ATOM 891 H SER A 70 10.112 6.486 5.885 1.00 0.00 H ATOM 892 N HIS A 71 12.861 5.739 4.158 1.00 27.02 N ATOM 893 CA HIS A 71 14.209 5.815 3.560 1.00 29.53 C ATOM 894 C HIS A 71 15.257 4.925 4.242 1.00 31.05 C ATOM 895 O HIS A 71 16.323 4.654 3.668 1.00 31.94 O ATOM 896 CB HIS A 71 14.706 7.261 3.523 1.00 29.61 C ATOM 897 CG HIS A 71 14.156 8.049 2.381 1.00 30.42 C ATOM 898 ND1 HIS A 71 14.362 7.686 1.066 1.00 33.26 N ATOM 899 CD2 HIS A 71 13.401 9.169 2.350 1.00 32.14 C ATOM 900 CE1 HIS A 71 13.762 8.557 0.275 1.00 32.74 C ATOM 901 NE2 HIS A 71 13.170 9.466 1.030 1.00 31.55 N ATOM 902 HA HIS A 71 14.093 5.429 2.547 1.00 0.00 H ATOM 903 HB2 HIS A 71 14.415 7.750 4.452 1.00 0.00 H ATOM 904 HB3 HIS A 71 15.793 7.251 3.444 1.00 0.00 H ATOM 905 HD2 HIS A 71 13.042 9.732 3.212 1.00 0.00 H ATOM 906 HE1 HIS A 71 13.756 8.531 -0.815 1.00 0.00 H ATOM 907 H HIS A 71 12.480 6.585 4.628 1.00 0.00 H ATOM 908 N ASP A 72 14.953 4.493 5.464 1.00 31.79 N ATOM 909 CA ASP A 72 15.779 3.528 6.181 1.00 33.49 C ATOM 910 C ASP A 72 15.679 2.103 5.629 1.00 34.05 C ATOM 911 O ASP A 72 16.589 1.298 5.819 1.00 35.12 O ATOM 912 CB ASP A 72 15.438 3.550 7.668 1.00 33.63 C ATOM 913 CG ASP A 72 15.914 4.814 8.348 1.00 34.92 C ATOM 914 OD1 ASP A 72 16.825 5.482 7.798 1.00 37.69 O ATOM 915 OD2 ASP A 72 15.397 5.130 9.437 1.00 36.76 O ATOM 916 HA ASP A 72 16.814 3.836 6.033 1.00 0.00 H ATOM 917 HB2 ASP A 72 14.356 3.477 7.781 1.00 0.00 H ATOM 918 HB3 ASP A 72 15.911 2.694 8.149 1.00 0.00 H ATOM 919 H ASP A 72 14.095 4.857 5.925 1.00 0.00 H ATOM 920 N ARG A 73 14.579 1.782 4.955 1.00 33.61 N ATOM 921 CA ARG A 73 14.444 0.452 4.357 1.00 34.14 C ATOM 922 C ARG A 73 14.413 0.501 2.835 1.00 34.24 C ATOM 923 O ARG A 73 14.192 -0.522 2.177 1.00 34.68 O ATOM 924 CB ARG A 73 13.235 -0.293 4.927 1.00 34.35 C ATOM 925 CG ARG A 73 11.905 0.400 4.741 1.00 33.55 C ATOM 926 CD ARG A 73 10.951 0.016 5.863 1.00 33.95 C ATOM 927 NE ARG A 73 9.648 0.674 5.738 1.00 32.37 N ATOM 928 CZ ARG A 73 9.172 1.586 6.589 1.00 31.42 C ATOM 929 NH1 ARG A 73 9.893 1.971 7.636 1.00 30.04 N ATOM 930 NH2 ARG A 73 7.965 2.114 6.389 1.00 29.05 N ATOM 931 HA ARG A 73 15.337 -0.112 4.628 1.00 0.00 H ATOM 932 HB2 ARG A 73 13.179 -1.267 4.441 1.00 0.00 H ATOM 933 HB3 ARG A 73 13.397 -0.431 5.996 1.00 0.00 H ATOM 934 HG2 ARG A 73 12.057 1.479 4.750 1.00 0.00 H ATOM 935 HG3 ARG A 73 11.475 0.103 3.785 1.00 0.00 H ATOM 936 HD2 ARG A 73 11.398 0.301 6.816 1.00 0.00 H ATOM 937 HD3 ARG A 73 10.802 -1.064 5.842 1.00 0.00 H ATOM 938 HE ARG A 73 9.051 0.412 4.928 1.00 0.00 H ATOM 939 HH12 ARG A 73 9.515 2.682 8.294 1.00 0.00 H ATOM 940 HH11 ARG A 73 10.835 1.562 7.797 1.00 0.00 H ATOM 941 HH22 ARG A 73 7.592 2.825 7.051 1.00 0.00 H ATOM 942 HH21 ARG A 73 7.396 1.816 5.571 1.00 0.00 H ATOM 943 H ARG A 73 13.812 2.477 4.852 1.00 0.00 H ATOM 944 N ASN A 74 14.670 1.693 2.296 1.00 33.22 N ATOM 945 CA ASN A 74 14.670 1.953 0.857 1.00 32.89 C ATOM 946 C ASN A 74 13.439 1.391 0.157 1.00 31.87 C ATOM 947 O ASN A 74 13.540 0.742 -0.890 1.00 32.24 O ATOM 948 CB ASN A 74 15.974 1.459 0.204 1.00 34.33 C ATOM 949 CG ASN A 74 17.070 2.504 0.239 1.00 36.41 C ATOM 950 OD1 ASN A 74 16.822 3.695 -0.001 1.00 38.58 O ATOM 951 ND2 ASN A 74 18.296 2.069 0.546 1.00 39.83 N ATOM 952 HA ASN A 74 14.621 3.035 0.732 1.00 0.00 H ATOM 953 HB2 ASN A 74 16.318 0.572 0.736 1.00 0.00 H ATOM 954 HB3 ASN A 74 15.769 1.201 -0.835 1.00 0.00 H ATOM 955 HD22 ASN A 74 18.456 1.060 0.740 1.00 0.00 H ATOM 956 HD21 ASN A 74 19.090 2.740 0.591 1.00 0.00 H ATOM 957 H ASN A 74 14.883 2.484 2.936 1.00 0.00 H ATOM 958 N GLU A 75 12.274 1.648 0.754 1.00 29.55 N ATOM 959 CA GLU A 75 11.032 1.110 0.249 1.00 28.06 C ATOM 960 C GLU A 75 9.908 2.115 0.470 1.00 25.88 C ATOM 961 O GLU A 75 9.614 2.475 1.611 1.00 23.22 O ATOM 962 CB GLU A 75 10.724 -0.259 0.903 1.00 29.22 C ATOM 963 CG GLU A 75 9.322 -0.833 0.633 1.00 31.30 C ATOM 964 CD GLU A 75 8.964 -0.971 -0.854 1.00 35.67 C ATOM 965 OE1 GLU A 75 9.833 -1.390 -1.666 1.00 36.80 O ATOM 966 OE2 GLU A 75 7.787 -0.676 -1.205 1.00 36.92 O ATOM 967 HA GLU A 75 11.122 0.937 -0.823 1.00 0.00 H ATOM 968 HB2 GLU A 75 11.456 -0.978 0.534 1.00 0.00 H ATOM 969 HB3 GLU A 75 10.837 -0.147 1.981 1.00 0.00 H ATOM 970 HG2 GLU A 75 9.265 -1.821 1.090 1.00 0.00 H ATOM 971 HG3 GLU A 75 8.589 -0.175 1.100 1.00 0.00 H ATOM 972 H GLU A 75 12.260 2.249 1.602 1.00 0.00 H ATOM 973 N PRO A 76 9.292 2.590 -0.635 1.00 24.43 N ATOM 974 CA PRO A 76 8.127 3.456 -0.494 1.00 22.92 C ATOM 975 C PRO A 76 7.061 2.787 0.359 1.00 22.04 C ATOM 976 O PRO A 76 6.958 1.563 0.365 1.00 22.62 O ATOM 977 CB PRO A 76 7.629 3.615 -1.936 1.00 23.33 C ATOM 978 CG PRO A 76 8.882 3.430 -2.777 1.00 24.17 C ATOM 979 CD PRO A 76 9.684 2.399 -2.043 1.00 24.98 C ATOM 980 HA PRO A 76 8.358 4.404 -0.009 1.00 0.00 H ATOM 981 HD3 PRO A 76 9.432 1.395 -2.384 1.00 0.00 H ATOM 982 HD2 PRO A 76 10.752 2.570 -2.176 1.00 0.00 H ATOM 983 HG3 PRO A 76 9.436 4.366 -2.853 1.00 0.00 H ATOM 984 HG2 PRO A 76 8.626 3.078 -3.776 1.00 0.00 H ATOM 985 HB2 PRO A 76 6.885 2.856 -2.176 1.00 0.00 H ATOM 986 HB3 PRO A 76 7.200 4.605 -2.092 1.00 0.00 H ATOM 987 N PHE A 77 6.299 3.597 1.089 1.00 20.06 N ATOM 988 CA PHE A 77 5.141 3.128 1.851 1.00 19.53 C ATOM 989 C PHE A 77 3.901 3.251 0.976 1.00 19.43 C ATOM 990 O PHE A 77 3.635 4.305 0.384 1.00 19.87 O ATOM 991 CB PHE A 77 4.999 3.949 3.139 1.00 18.47 C ATOM 992 CG PHE A 77 3.859 3.502 4.042 1.00 18.39 C ATOM 993 CD1 PHE A 77 4.033 2.472 4.965 1.00 19.53 C ATOM 994 CD2 PHE A 77 2.619 4.127 3.964 1.00 19.21 C ATOM 995 CE1 PHE A 77 2.973 2.076 5.807 1.00 20.90 C ATOM 996 CE2 PHE A 77 1.561 3.737 4.775 1.00 19.29 C ATOM 997 CZ PHE A 77 1.730 2.712 5.697 1.00 18.35 C ATOM 998 HA PHE A 77 5.270 2.084 2.136 1.00 0.00 H ATOM 999 HB2 PHE A 77 5.930 3.870 3.700 1.00 0.00 H ATOM 1000 HB3 PHE A 77 4.829 4.990 2.864 1.00 0.00 H ATOM 1001 HD2 PHE A 77 2.475 4.939 3.252 1.00 0.00 H ATOM 1002 HE2 PHE A 77 0.596 4.236 4.688 1.00 0.00 H ATOM 1003 HZ PHE A 77 0.899 2.404 6.332 1.00 0.00 H ATOM 1004 HE1 PHE A 77 3.120 1.281 6.538 1.00 0.00 H ATOM 1005 HD1 PHE A 77 4.997 1.968 5.037 1.00 0.00 H ATOM 1006 H PHE A 77 6.537 4.609 1.120 1.00 0.00 H ATOM 1007 N VAL A 78 3.142 2.170 0.878 1.00 19.53 N ATOM 1008 CA VAL A 78 2.036 2.132 -0.063 1.00 18.65 C ATOM 1009 C VAL A 78 0.702 1.884 0.642 1.00 18.76 C ATOM 1010 O VAL A 78 0.560 0.914 1.391 1.00 19.25 O ATOM 1011 CB VAL A 78 2.265 1.050 -1.141 1.00 19.60 C ATOM 1012 CG1 VAL A 78 1.170 1.108 -2.187 1.00 19.45 C ATOM 1013 CG2 VAL A 78 3.640 1.195 -1.796 1.00 19.24 C ATOM 1014 HA VAL A 78 1.992 3.110 -0.543 1.00 0.00 H ATOM 1015 HB VAL A 78 2.232 0.077 -0.650 1.00 0.00 H ATOM 1016 HG11 VAL A 78 0.205 0.937 -1.710 1.00 0.00 H ATOM 1017 HG12 VAL A 78 1.174 2.089 -2.661 1.00 0.00 H ATOM 1018 HG13 VAL A 78 1.347 0.339 -2.939 1.00 0.00 H ATOM 1019 HG21 VAL A 78 3.715 2.175 -2.268 1.00 0.00 H ATOM 1020 HG22 VAL A 78 4.415 1.096 -1.036 1.00 0.00 H ATOM 1021 HG23 VAL A 78 3.766 0.417 -2.549 1.00 0.00 H ATOM 1022 H VAL A 78 3.339 1.344 1.478 1.00 0.00 H ATOM 1023 N PHE A 79 -0.276 2.759 0.411 1.00 17.99 N ATOM 1024 CA PHE A 79 -1.631 2.543 0.972 1.00 18.44 C ATOM 1025 C PHE A 79 -2.708 3.059 0.042 1.00 18.16 C ATOM 1026 O PHE A 79 -2.406 3.754 -0.925 1.00 16.91 O ATOM 1027 CB PHE A 79 -1.792 3.134 2.403 1.00 18.00 C ATOM 1028 CG PHE A 79 -1.849 4.646 2.465 1.00 17.75 C ATOM 1029 CD1 PHE A 79 -3.074 5.307 2.665 1.00 17.90 C ATOM 1030 CD2 PHE A 79 -0.682 5.407 2.350 1.00 17.81 C ATOM 1031 CE1 PHE A 79 -3.138 6.707 2.734 1.00 16.98 C ATOM 1032 CE2 PHE A 79 -0.729 6.805 2.420 1.00 18.26 C ATOM 1033 CZ PHE A 79 -1.950 7.458 2.602 1.00 14.96 C ATOM 1034 HA PHE A 79 -1.754 1.464 1.064 1.00 0.00 H ATOM 1035 HB2 PHE A 79 -2.715 2.742 2.830 1.00 0.00 H ATOM 1036 HB3 PHE A 79 -0.946 2.802 3.004 1.00 0.00 H ATOM 1037 HD2 PHE A 79 0.275 4.907 2.204 1.00 0.00 H ATOM 1038 HE2 PHE A 79 0.190 7.385 2.332 1.00 0.00 H ATOM 1039 HZ PHE A 79 -1.986 8.547 2.642 1.00 0.00 H ATOM 1040 HE1 PHE A 79 -4.093 7.209 2.888 1.00 0.00 H ATOM 1041 HD1 PHE A 79 -3.988 4.723 2.768 1.00 0.00 H ATOM 1042 H PHE A 79 -0.087 3.602 -0.168 1.00 0.00 H ATOM 1043 N SER A 80 -3.968 2.706 0.339 1.00 19.01 N ATOM 1044 CA SER A 80 -5.118 3.255 -0.373 1.00 19.60 C ATOM 1045 C SER A 80 -5.641 4.481 0.364 1.00 19.19 C ATOM 1046 O SER A 80 -5.976 4.397 1.541 1.00 20.16 O ATOM 1047 CB SER A 80 -6.231 2.200 -0.519 1.00 20.83 C ATOM 1048 OG SER A 80 -5.704 1.004 -1.084 1.00 24.15 O ATOM 1049 HA SER A 80 -4.801 3.547 -1.374 1.00 0.00 H ATOM 1050 HB2 SER A 80 -7.015 2.590 -1.168 1.00 0.00 H ATOM 1051 HB3 SER A 80 -6.650 1.980 0.463 1.00 0.00 H ATOM 1052 HG SER A 80 -6.428 0.335 -1.172 1.00 0.00 H ATOM 1053 H SER A 80 -4.131 2.018 1.102 1.00 0.00 H ATOM 1054 N LEU A 81 -5.705 5.607 -0.340 1.00 19.00 N ATOM 1055 CA LEU A 81 -6.130 6.887 0.232 1.00 18.99 C ATOM 1056 C LEU A 81 -7.589 6.881 0.686 1.00 19.20 C ATOM 1057 O LEU A 81 -8.482 6.405 -0.032 1.00 19.92 O ATOM 1058 CB LEU A 81 -5.904 8.028 -0.771 1.00 18.35 C ATOM 1059 CG LEU A 81 -6.320 9.451 -0.346 1.00 17.69 C ATOM 1060 CD1 LEU A 81 -5.483 9.921 0.861 1.00 14.36 C ATOM 1061 CD2 LEU A 81 -6.191 10.443 -1.528 1.00 16.29 C ATOM 1062 HA LEU A 81 -5.516 7.047 1.118 1.00 0.00 H ATOM 1063 HB2 LEU A 81 -4.838 8.055 -0.999 1.00 0.00 H ATOM 1064 HB3 LEU A 81 -6.462 7.782 -1.675 1.00 0.00 H ATOM 1065 HG LEU A 81 -7.368 9.424 -0.046 1.00 0.00 H ATOM 1066 HD21 LEU A 81 -5.156 10.468 -1.869 1.00 0.00 H ATOM 1067 HD22 LEU A 81 -6.836 10.119 -2.345 1.00 0.00 H ATOM 1068 HD23 LEU A 81 -6.491 11.438 -1.200 1.00 0.00 H ATOM 1069 HD11 LEU A 81 -5.641 9.241 1.698 1.00 0.00 H ATOM 1070 HD12 LEU A 81 -4.427 9.926 0.589 1.00 0.00 H ATOM 1071 HD13 LEU A 81 -5.791 10.927 1.146 1.00 0.00 H ATOM 1072 H LEU A 81 -5.441 5.578 -1.345 1.00 0.00 H ATOM 1073 N GLY A 82 -7.812 7.414 1.884 1.00 18.56 N ATOM 1074 CA GLY A 82 -9.151 7.770 2.353 1.00 19.25 C ATOM 1075 C GLY A 82 -9.941 6.573 2.828 1.00 19.64 C ATOM 1076 O GLY A 82 -11.160 6.664 2.994 1.00 19.93 O ATOM 1077 HA3 GLY A 82 -9.693 8.243 1.534 1.00 0.00 H ATOM 1078 HA2 GLY A 82 -9.055 8.475 3.179 1.00 0.00 H ATOM 1079 H GLY A 82 -7.001 7.585 2.513 1.00 0.00 H ATOM 1080 N LYS A 83 -9.232 5.469 3.071 1.00 19.30 N ATOM 1081 CA LYS A 83 -9.853 4.217 3.514 1.00 20.11 C ATOM 1082 C LYS A 83 -9.626 3.856 4.987 1.00 19.53 C ATOM 1083 O LYS A 83 -10.018 2.774 5.422 1.00 18.48 O ATOM 1084 CB LYS A 83 -9.409 3.070 2.597 1.00 20.66 C ATOM 1085 CG LYS A 83 -9.914 3.197 1.167 1.00 22.86 C ATOM 1086 CD LYS A 83 -11.452 3.127 1.102 1.00 26.14 C ATOM 1087 CE LYS A 83 -11.936 2.682 -0.275 1.00 28.18 C ATOM 1088 NZ LYS A 83 -13.406 2.994 -0.441 1.00 30.98 N ATOM 1089 HA LYS A 83 -10.928 4.378 3.438 1.00 0.00 H ATOM 1090 HB2 LYS A 83 -8.319 3.048 2.576 1.00 0.00 H ATOM 1091 HB3 LYS A 83 -9.782 2.134 3.012 1.00 0.00 H ATOM 1092 HG2 LYS A 83 -9.585 4.153 0.759 1.00 0.00 H ATOM 1093 HG3 LYS A 83 -9.497 2.386 0.571 1.00 0.00 H ATOM 1094 HD2 LYS A 83 -11.806 2.416 1.849 1.00 0.00 H ATOM 1095 HD3 LYS A 83 -11.861 4.114 1.319 1.00 0.00 H ATOM 1096 HE2 LYS A 83 -11.782 1.608 -0.381 1.00 0.00 H ATOM 1097 HE3 LYS A 83 -11.368 3.207 -1.043 1.00 0.00 H ATOM 1098 HZ1 LYS A 83 -13.950 2.492 0.289 1.00 0.00 H ATOM 1099 HZ2 LYS A 83 -13.555 4.019 -0.343 1.00 0.00 H ATOM 1100 HZ3 LYS A 83 -13.720 2.685 -1.383 1.00 0.00 H ATOM 1101 H LYS A 83 -8.201 5.498 2.941 1.00 0.00 H ATOM 1102 N GLY A 84 -9.024 4.777 5.748 1.00 18.39 N ATOM 1103 CA GLY A 84 -8.690 4.548 7.150 1.00 18.04 C ATOM 1104 C GLY A 84 -7.655 3.467 7.368 1.00 18.06 C ATOM 1105 O GLY A 84 -7.706 2.730 8.362 1.00 19.08 O ATOM 1106 HA3 GLY A 84 -9.600 4.262 7.677 1.00 0.00 H ATOM 1107 HA2 GLY A 84 -8.307 5.479 7.568 1.00 0.00 H ATOM 1108 H GLY A 84 -8.784 5.695 5.322 1.00 0.00 H ATOM 1109 N GLN A 85 -6.710 3.368 6.442 1.00 17.05 N ATOM 1110 CA GLN A 85 -5.619 2.400 6.550 1.00 16.60 C ATOM 1111 C GLN A 85 -4.425 2.983 7.296 1.00 15.49 C ATOM 1112 O GLN A 85 -3.475 2.269 7.640 1.00 16.30 O ATOM 1113 CB GLN A 85 -5.192 1.934 5.171 1.00 16.50 C ATOM 1114 CG GLN A 85 -6.296 1.195 4.434 1.00 19.46 C ATOM 1115 CD GLN A 85 -5.828 0.667 3.107 1.00 20.32 C ATOM 1116 OE1 GLN A 85 -4.707 0.958 2.663 1.00 17.68 O ATOM 1117 NE2 GLN A 85 -6.680 -0.119 2.461 1.00 19.58 N ATOM 1118 HA GLN A 85 -5.988 1.548 7.120 1.00 0.00 H ATOM 1119 HB2 GLN A 85 -4.902 2.805 4.583 1.00 0.00 H ATOM 1120 HB3 GLN A 85 -4.336 1.267 5.277 1.00 0.00 H ATOM 1121 HG2 GLN A 85 -6.631 0.359 5.048 1.00 0.00 H ATOM 1122 HG3 GLN A 85 -7.128 1.879 4.268 1.00 0.00 H ATOM 1123 HE22 GLN A 85 -7.609 -0.332 2.877 1.00 0.00 H ATOM 1124 HE21 GLN A 85 -6.419 -0.522 1.538 1.00 0.00 H ATOM 1125 H GLN A 85 -6.746 3.997 5.615 1.00 0.00 H ATOM 1126 N VAL A 86 -4.502 4.288 7.535 1.00 14.68 N ATOM 1127 CA VAL A 86 -3.482 5.073 8.224 1.00 13.68 C ATOM 1128 C VAL A 86 -4.161 6.081 9.161 1.00 12.70 C ATOM 1129 O VAL A 86 -5.406 6.292 9.098 1.00 13.14 O ATOM 1130 CB VAL A 86 -2.564 5.843 7.213 1.00 12.63 C ATOM 1131 CG1 VAL A 86 -1.696 4.863 6.363 1.00 14.66 C ATOM 1132 CG2 VAL A 86 -3.375 6.722 6.275 1.00 13.46 C ATOM 1133 HA VAL A 86 -2.857 4.386 8.794 1.00 0.00 H ATOM 1134 HB VAL A 86 -1.908 6.473 7.815 1.00 0.00 H ATOM 1135 HG11 VAL A 86 -1.061 4.274 7.025 1.00 0.00 H ATOM 1136 HG12 VAL A 86 -2.349 4.198 5.798 1.00 0.00 H ATOM 1137 HG13 VAL A 86 -1.074 5.435 5.675 1.00 0.00 H ATOM 1138 HG21 VAL A 86 -4.068 6.102 5.707 1.00 0.00 H ATOM 1139 HG22 VAL A 86 -3.934 7.454 6.858 1.00 0.00 H ATOM 1140 HG23 VAL A 86 -2.702 7.238 5.590 1.00 0.00 H ATOM 1141 H VAL A 86 -5.353 4.788 7.206 1.00 0.00 H ATOM 1142 N ILE A 87 -3.354 6.752 9.978 1.00 12.04 N ATOM 1143 CA ILE A 87 -3.887 7.773 10.897 1.00 11.45 C ATOM 1144 C ILE A 87 -4.629 8.880 10.134 1.00 11.02 C ATOM 1145 O ILE A 87 -4.378 9.110 8.953 1.00 11.13 O ATOM 1146 CB ILE A 87 -2.808 8.406 11.813 1.00 10.84 C ATOM 1147 CG1 ILE A 87 -1.607 8.923 11.002 1.00 10.86 C ATOM 1148 CG2 ILE A 87 -2.393 7.451 12.936 1.00 12.16 C ATOM 1149 CD1 ILE A 87 -0.795 9.940 11.832 1.00 8.94 C ATOM 1150 HA ILE A 87 -4.587 7.242 11.542 1.00 0.00 H ATOM 1151 HB ILE A 87 -3.253 9.277 12.294 1.00 0.00 H ATOM 1152 HG12 ILE A 87 -0.965 8.083 10.735 1.00 0.00 H ATOM 1153 HG13 ILE A 87 -1.968 9.406 10.094 1.00 0.00 H ATOM 1154 HD11 ILE A 87 -1.434 10.782 12.098 1.00 0.00 H ATOM 1155 HD12 ILE A 87 -0.431 9.458 12.739 1.00 0.00 H ATOM 1156 HD13 ILE A 87 0.051 10.295 11.243 1.00 0.00 H ATOM 1157 HG21 ILE A 87 -3.264 7.208 13.545 1.00 0.00 H ATOM 1158 HG22 ILE A 87 -1.985 6.538 12.502 1.00 0.00 H ATOM 1159 HG23 ILE A 87 -1.636 7.930 13.557 1.00 0.00 H ATOM 1160 H ILE A 87 -2.333 6.553 9.968 1.00 0.00 H ATOM 1161 N LYS A 88 -5.559 9.534 10.816 1.00 11.01 N ATOM 1162 CA LYS A 88 -6.467 10.488 10.161 1.00 12.33 C ATOM 1163 C LYS A 88 -5.716 11.655 9.505 1.00 12.03 C ATOM 1164 O LYS A 88 -6.069 12.100 8.413 1.00 12.13 O ATOM 1165 CB LYS A 88 -7.489 11.005 11.174 1.00 12.13 C ATOM 1166 CG LYS A 88 -8.425 9.942 11.756 1.00 17.58 C ATOM 1167 CD LYS A 88 -9.463 10.664 12.631 1.00 24.15 C ATOM 1168 CE LYS A 88 -10.204 9.752 13.585 1.00 28.19 C ATOM 1169 NZ LYS A 88 -11.037 10.566 14.519 1.00 32.32 N ATOM 1170 HA LYS A 88 -6.983 9.958 9.360 1.00 0.00 H ATOM 1171 HB2 LYS A 88 -6.944 11.463 11.999 1.00 0.00 H ATOM 1172 HB3 LYS A 88 -8.101 11.760 10.681 1.00 0.00 H ATOM 1173 HG2 LYS A 88 -8.926 9.406 10.950 1.00 0.00 H ATOM 1174 HG3 LYS A 88 -7.856 9.236 12.361 1.00 0.00 H ATOM 1175 HD2 LYS A 88 -8.948 11.427 13.215 1.00 0.00 H ATOM 1176 HD3 LYS A 88 -10.192 11.141 11.976 1.00 0.00 H ATOM 1177 HE2 LYS A 88 -9.485 9.166 14.158 1.00 0.00 H ATOM 1178 HE3 LYS A 88 -10.848 9.080 13.017 1.00 0.00 H ATOM 1179 HZ1 LYS A 88 -10.422 11.206 15.062 1.00 0.00 H ATOM 1180 HZ2 LYS A 88 -11.724 11.124 13.972 1.00 0.00 H ATOM 1181 HZ3 LYS A 88 -11.543 9.933 15.171 1.00 0.00 H ATOM 1182 H LYS A 88 -5.649 9.369 11.839 1.00 0.00 H ATOM 1183 N ALA A 89 -4.632 12.108 10.143 1.00 12.55 N ATOM 1184 CA ALA A 89 -3.860 13.222 9.609 1.00 11.95 C ATOM 1185 C ALA A 89 -3.285 12.885 8.234 1.00 12.01 C ATOM 1186 O ALA A 89 -3.127 13.776 7.381 1.00 11.74 O ATOM 1187 CB ALA A 89 -2.761 13.633 10.570 1.00 11.36 C ATOM 1188 HA ALA A 89 -4.537 14.068 9.490 1.00 0.00 H ATOM 1189 HB1 ALA A 89 -3.204 13.937 11.518 1.00 0.00 H ATOM 1190 HB2 ALA A 89 -2.090 12.790 10.735 1.00 0.00 H ATOM 1191 HB3 ALA A 89 -2.201 14.466 10.145 1.00 0.00 H ATOM 1192 H ALA A 89 -4.336 11.659 11.033 1.00 0.00 H ATOM 1193 N TRP A 90 -2.954 11.614 8.034 1.00 12.56 N ATOM 1194 CA TRP A 90 -2.412 11.152 6.747 1.00 13.15 C ATOM 1195 C TRP A 90 -3.478 11.106 5.673 1.00 13.80 C ATOM 1196 O TRP A 90 -3.213 11.527 4.518 1.00 13.84 O ATOM 1197 CB TRP A 90 -1.697 9.806 6.857 1.00 13.06 C ATOM 1198 CG TRP A 90 -0.196 9.907 7.100 1.00 11.42 C ATOM 1199 CD1 TRP A 90 0.413 10.552 8.121 1.00 11.40 C ATOM 1200 CD2 TRP A 90 0.845 9.303 6.318 1.00 11.36 C ATOM 1201 NE1 TRP A 90 1.771 10.418 8.022 1.00 10.68 N ATOM 1202 CE2 TRP A 90 2.073 9.662 6.919 1.00 11.06 C ATOM 1203 CE3 TRP A 90 0.857 8.516 5.149 1.00 12.98 C ATOM 1204 CZ2 TRP A 90 3.322 9.252 6.412 1.00 12.09 C ATOM 1205 CZ3 TRP A 90 2.106 8.105 4.622 1.00 15.33 C ATOM 1206 CH2 TRP A 90 3.318 8.459 5.262 1.00 13.41 C ATOM 1207 HA TRP A 90 -1.665 11.890 6.454 1.00 0.00 H ATOM 1208 HB2 TRP A 90 -2.140 9.251 7.684 1.00 0.00 H ATOM 1209 HB3 TRP A 90 -1.856 9.259 5.928 1.00 0.00 H ATOM 1210 HE1 TRP A 90 2.465 10.826 8.680 1.00 0.00 H ATOM 1211 HD1 TRP A 90 -0.104 11.100 8.909 1.00 0.00 H ATOM 1212 HZ2 TRP A 90 4.254 9.542 6.898 1.00 0.00 H ATOM 1213 HH2 TRP A 90 4.264 8.107 4.851 1.00 0.00 H ATOM 1214 HZ3 TRP A 90 2.134 7.508 3.711 1.00 0.00 H ATOM 1215 HE3 TRP A 90 -0.075 8.230 4.661 1.00 0.00 H ATOM 1216 H TRP A 90 -3.081 10.929 8.806 1.00 0.00 H ATOM 1217 N ASP A 91 -4.666 10.608 6.033 1.00 13.64 N ATOM 1218 CA ASP A 91 -5.767 10.615 5.068 1.00 14.05 C ATOM 1219 C ASP A 91 -6.103 12.052 4.677 1.00 14.57 C ATOM 1220 O ASP A 91 -6.337 12.333 3.493 1.00 16.26 O ATOM 1221 CB ASP A 91 -6.994 9.850 5.595 1.00 14.03 C ATOM 1222 CG ASP A 91 -6.968 8.354 5.205 1.00 11.08 C ATOM 1223 OD1 ASP A 91 -6.116 7.920 4.366 1.00 14.21 O ATOM 1224 OD2 ASP A 91 -7.785 7.604 5.763 1.00 14.88 O ATOM 1225 HA ASP A 91 -5.447 10.086 4.170 1.00 0.00 H ATOM 1226 HB2 ASP A 91 -7.015 9.928 6.682 1.00 0.00 H ATOM 1227 HB3 ASP A 91 -7.894 10.304 5.181 1.00 0.00 H ATOM 1228 H ASP A 91 -4.806 10.220 6.988 1.00 0.00 H ATOM 1229 N ILE A 92 -6.102 12.959 5.659 1.00 13.29 N ATOM 1230 CA ILE A 92 -6.346 14.385 5.410 1.00 13.98 C ATOM 1231 C ILE A 92 -5.272 15.028 4.531 1.00 14.03 C ATOM 1232 O ILE A 92 -5.587 15.698 3.530 1.00 13.97 O ATOM 1233 CB ILE A 92 -6.477 15.181 6.747 1.00 14.14 C ATOM 1234 CG1 ILE A 92 -7.774 14.803 7.465 1.00 15.71 C ATOM 1235 CG2 ILE A 92 -6.401 16.696 6.516 1.00 15.27 C ATOM 1236 CD1 ILE A 92 -7.830 15.240 8.943 1.00 14.86 C ATOM 1237 HA ILE A 92 -7.290 14.435 4.867 1.00 0.00 H ATOM 1238 HB ILE A 92 -5.634 14.909 7.382 1.00 0.00 H ATOM 1239 HG12 ILE A 92 -8.605 15.271 6.938 1.00 0.00 H ATOM 1240 HG13 ILE A 92 -7.884 13.719 7.424 1.00 0.00 H ATOM 1241 HD11 ILE A 92 -7.013 14.771 9.491 1.00 0.00 H ATOM 1242 HD12 ILE A 92 -7.735 16.324 9.004 1.00 0.00 H ATOM 1243 HD13 ILE A 92 -8.782 14.933 9.376 1.00 0.00 H ATOM 1244 HG21 ILE A 92 -5.443 16.945 6.060 1.00 0.00 H ATOM 1245 HG22 ILE A 92 -7.210 17.002 5.853 1.00 0.00 H ATOM 1246 HG23 ILE A 92 -6.496 17.213 7.471 1.00 0.00 H ATOM 1247 H ILE A 92 -5.922 12.643 6.633 1.00 0.00 H ATOM 1248 N GLY A 93 -4.014 14.801 4.902 1.00 13.19 N ATOM 1249 CA GLY A 93 -2.898 15.478 4.263 1.00 12.73 C ATOM 1250 C GLY A 93 -2.668 15.051 2.837 1.00 12.55 C ATOM 1251 O GLY A 93 -2.547 15.895 1.939 1.00 12.35 O ATOM 1252 HA3 GLY A 93 -1.994 15.268 4.835 1.00 0.00 H ATOM 1253 HA2 GLY A 93 -3.093 16.550 4.274 1.00 0.00 H ATOM 1254 H GLY A 93 -3.825 14.123 5.668 1.00 0.00 H ATOM 1255 N VAL A 94 -2.587 13.735 2.633 1.00 12.01 N ATOM 1256 CA VAL A 94 -2.179 13.160 1.345 1.00 12.32 C ATOM 1257 C VAL A 94 -3.238 13.484 0.301 1.00 13.31 C ATOM 1258 O VAL A 94 -2.934 13.721 -0.867 1.00 13.44 O ATOM 1259 CB VAL A 94 -1.890 11.655 1.452 1.00 12.10 C ATOM 1260 CG1 VAL A 94 -1.714 11.028 0.047 1.00 11.52 C ATOM 1261 CG2 VAL A 94 -0.670 11.426 2.379 1.00 9.96 C ATOM 1262 HA VAL A 94 -1.237 13.610 1.032 1.00 0.00 H ATOM 1263 HB VAL A 94 -2.741 11.145 1.904 1.00 0.00 H ATOM 1264 HG11 VAL A 94 -2.627 11.171 -0.530 1.00 0.00 H ATOM 1265 HG12 VAL A 94 -0.881 11.511 -0.463 1.00 0.00 H ATOM 1266 HG13 VAL A 94 -1.510 9.962 0.149 1.00 0.00 H ATOM 1267 HG21 VAL A 94 0.200 11.934 1.964 1.00 0.00 H ATOM 1268 HG22 VAL A 94 -0.888 11.825 3.370 1.00 0.00 H ATOM 1269 HG23 VAL A 94 -0.467 10.358 2.453 1.00 0.00 H ATOM 1270 H VAL A 94 -2.822 13.092 3.416 1.00 0.00 H ATOM 1271 N ALA A 95 -4.476 13.573 0.759 1.00 13.23 N ATOM 1272 CA ALA A 95 -5.590 13.995 -0.102 1.00 14.38 C ATOM 1273 C ALA A 95 -5.434 15.391 -0.732 1.00 14.70 C ATOM 1274 O ALA A 95 -6.128 15.701 -1.718 1.00 17.00 O ATOM 1275 CB ALA A 95 -6.909 13.910 0.669 1.00 15.10 C ATOM 1276 HA ALA A 95 -5.587 13.299 -0.941 1.00 0.00 H ATOM 1277 HB1 ALA A 95 -7.074 12.882 0.992 1.00 0.00 H ATOM 1278 HB2 ALA A 95 -6.862 14.563 1.541 1.00 0.00 H ATOM 1279 HB3 ALA A 95 -7.728 14.225 0.022 1.00 0.00 H ATOM 1280 H ALA A 95 -4.666 13.338 1.754 1.00 0.00 H ATOM 1281 N THR A 96 -4.589 16.241 -0.144 1.00 13.89 N ATOM 1282 CA THR A 96 -4.348 17.605 -0.640 1.00 13.59 C ATOM 1283 C THR A 96 -3.096 17.715 -1.542 1.00 13.45 C ATOM 1284 O THR A 96 -2.779 18.818 -2.048 1.00 13.33 O ATOM 1285 CB THR A 96 -4.149 18.654 0.526 1.00 12.66 C ATOM 1286 OG1 THR A 96 -2.932 18.370 1.249 1.00 12.08 O ATOM 1287 CG2 THR A 96 -5.330 18.699 1.501 1.00 11.22 C ATOM 1288 HA THR A 96 -5.248 17.829 -1.213 1.00 0.00 H ATOM 1289 HB THR A 96 -4.086 19.635 0.054 1.00 0.00 H ATOM 1290 HG1 THR A 96 -2.984 17.460 1.636 1.00 0.00 H ATOM 1291 HG23 THR A 96 -6.246 18.914 0.951 1.00 0.00 H ATOM 1292 HG21 THR A 96 -5.423 17.735 2.002 1.00 0.00 H ATOM 1293 HG22 THR A 96 -5.158 19.480 2.242 1.00 0.00 H ATOM 1294 H THR A 96 -4.077 15.924 0.704 1.00 0.00 H ATOM 1295 N MET A 97 -2.384 16.610 -1.723 1.00 12.79 N ATOM 1296 CA MET A 97 -1.065 16.639 -2.375 1.00 13.91 C ATOM 1297 C MET A 97 -1.154 16.332 -3.862 1.00 14.95 C ATOM 1298 O MET A 97 -2.068 15.633 -4.304 1.00 14.60 O ATOM 1299 CB MET A 97 -0.131 15.626 -1.704 1.00 13.98 C ATOM 1300 CG MET A 97 0.157 15.914 -0.217 1.00 13.53 C ATOM 1301 SD MET A 97 1.425 14.811 0.531 1.00 14.46 S ATOM 1302 CE MET A 97 2.916 15.488 -0.203 1.00 14.46 C ATOM 1303 HA MET A 97 -0.670 17.649 -2.264 1.00 0.00 H ATOM 1304 HB2 MET A 97 -0.588 14.639 -1.778 1.00 0.00 H ATOM 1305 HB3 MET A 97 0.817 15.627 -2.242 1.00 0.00 H ATOM 1306 HG2 MET A 97 -0.772 15.796 0.341 1.00 0.00 H ATOM 1307 HG3 MET A 97 0.504 16.944 -0.129 1.00 0.00 H ATOM 1308 HE1 MET A 97 2.852 15.412 -1.288 1.00 0.00 H ATOM 1309 HE2 MET A 97 3.018 16.535 0.084 1.00 0.00 H ATOM 1310 HE3 MET A 97 3.781 14.927 0.151 1.00 0.00 H ATOM 1311 H MET A 97 -2.768 15.700 -1.396 1.00 0.00 H ATOM 1312 N LYS A 98 -0.171 16.814 -4.616 1.00 15.76 N ATOM 1313 CA LYS A 98 -0.027 16.501 -6.039 1.00 16.19 C ATOM 1314 C LYS A 98 1.202 15.609 -6.207 1.00 16.29 C ATOM 1315 O LYS A 98 2.066 15.575 -5.332 1.00 15.38 O ATOM 1316 CB LYS A 98 0.175 17.799 -6.853 1.00 17.43 C ATOM 1317 CG LYS A 98 -0.811 18.930 -6.546 1.00 18.87 C ATOM 1318 CD LYS A 98 -2.147 18.718 -7.267 1.00 22.98 C ATOM 1319 CE LYS A 98 -3.178 19.780 -6.872 1.00 23.64 C ATOM 1320 NZ LYS A 98 -3.093 21.031 -7.670 1.00 25.25 N ATOM 1321 HA LYS A 98 -0.924 15.997 -6.398 1.00 0.00 H ATOM 1322 HB2 LYS A 98 1.181 18.167 -6.654 1.00 0.00 H ATOM 1323 HB3 LYS A 98 0.083 17.550 -7.910 1.00 0.00 H ATOM 1324 HG2 LYS A 98 -0.989 18.964 -5.471 1.00 0.00 H ATOM 1325 HG3 LYS A 98 -0.378 19.876 -6.871 1.00 0.00 H ATOM 1326 HD2 LYS A 98 -1.980 18.770 -8.343 1.00 0.00 H ATOM 1327 HD3 LYS A 98 -2.536 17.733 -7.008 1.00 0.00 H ATOM 1328 HE2 LYS A 98 -3.026 20.032 -5.822 1.00 0.00 H ATOM 1329 HE3 LYS A 98 -4.174 19.357 -7.003 1.00 0.00 H ATOM 1330 HZ1 LYS A 98 -2.152 21.456 -7.548 1.00 0.00 H ATOM 1331 HZ2 LYS A 98 -3.247 20.811 -8.675 1.00 0.00 H ATOM 1332 HZ3 LYS A 98 -3.821 21.699 -7.344 1.00 0.00 H ATOM 1333 H LYS A 98 0.529 17.443 -4.174 1.00 0.00 H ATOM 1334 N LYS A 99 1.288 14.890 -7.327 1.00 16.76 N ATOM 1335 CA LYS A 99 2.452 14.021 -7.569 1.00 17.08 C ATOM 1336 C LYS A 99 3.732 14.852 -7.560 1.00 17.04 C ATOM 1337 O LYS A 99 3.799 15.894 -8.199 1.00 17.85 O ATOM 1338 CB LYS A 99 2.325 13.237 -8.901 1.00 17.87 C ATOM 1339 CG LYS A 99 3.442 12.193 -9.101 1.00 17.56 C ATOM 1340 CD LYS A 99 3.257 11.313 -10.339 1.00 21.99 C ATOM 1341 CE LYS A 99 4.589 10.643 -10.734 1.00 23.15 C ATOM 1342 NZ LYS A 99 4.430 9.580 -11.776 1.00 25.28 N ATOM 1343 HA LYS A 99 2.491 13.286 -6.765 1.00 0.00 H ATOM 1344 HB2 LYS A 99 1.364 12.723 -8.910 1.00 0.00 H ATOM 1345 HB3 LYS A 99 2.363 13.948 -9.727 1.00 0.00 H ATOM 1346 HG2 LYS A 99 4.392 12.720 -9.194 1.00 0.00 H ATOM 1347 HG3 LYS A 99 3.470 11.548 -8.223 1.00 0.00 H ATOM 1348 HD2 LYS A 99 2.518 10.541 -10.123 1.00 0.00 H ATOM 1349 HD3 LYS A 99 2.906 11.929 -11.167 1.00 0.00 H ATOM 1350 HE2 LYS A 99 5.028 10.192 -9.844 1.00 0.00 H ATOM 1351 HE3 LYS A 99 5.261 11.409 -11.121 1.00 0.00 H ATOM 1352 HZ1 LYS A 99 3.798 8.836 -11.417 1.00 0.00 H ATOM 1353 HZ2 LYS A 99 4.021 9.998 -12.636 1.00 0.00 H ATOM 1354 HZ3 LYS A 99 5.360 9.170 -11.996 1.00 0.00 H ATOM 1355 H LYS A 99 0.528 14.943 -8.034 1.00 0.00 H ATOM 1356 N GLY A 100 4.739 14.386 -6.823 1.00 17.38 N ATOM 1357 CA GLY A 100 6.020 15.067 -6.766 1.00 16.47 C ATOM 1358 C GLY A 100 6.182 16.039 -5.623 1.00 15.45 C ATOM 1359 O GLY A 100 7.282 16.525 -5.376 1.00 16.48 O ATOM 1360 HA3 GLY A 100 6.151 15.617 -7.698 1.00 0.00 H ATOM 1361 HA2 GLY A 100 6.800 14.311 -6.679 1.00 0.00 H ATOM 1362 H GLY A 100 4.604 13.513 -6.275 1.00 0.00 H ATOM 1363 N GLU A 101 5.094 16.330 -4.924 1.00 14.84 N ATOM 1364 CA GLU A 101 5.103 17.303 -3.831 1.00 13.95 C ATOM 1365 C GLU A 101 5.782 16.722 -2.590 1.00 13.52 C ATOM 1366 O GLU A 101 5.684 15.520 -2.325 1.00 13.78 O ATOM 1367 CB GLU A 101 3.659 17.708 -3.509 1.00 13.03 C ATOM 1368 CG GLU A 101 3.471 18.730 -2.347 1.00 13.31 C ATOM 1369 CD GLU A 101 1.981 18.992 -2.075 1.00 16.42 C ATOM 1370 OE1 GLU A 101 1.211 19.159 -3.042 1.00 17.95 O ATOM 1371 OE2 GLU A 101 1.579 19.050 -0.901 1.00 13.95 O ATOM 1372 HA GLU A 101 5.670 18.181 -4.140 1.00 0.00 H ATOM 1373 HB2 GLU A 101 3.228 18.146 -4.409 1.00 0.00 H ATOM 1374 HB3 GLU A 101 3.110 16.803 -3.248 1.00 0.00 H ATOM 1375 HG2 GLU A 101 3.933 18.331 -1.444 1.00 0.00 H ATOM 1376 HG3 GLU A 101 3.954 19.669 -2.617 1.00 0.00 H ATOM 1377 H GLU A 101 4.202 15.850 -5.161 1.00 0.00 H ATOM 1378 N ILE A 102 6.505 17.570 -1.861 1.00 13.75 N ATOM 1379 CA ILE A 102 6.949 17.221 -0.514 1.00 13.14 C ATOM 1380 C ILE A 102 6.301 18.209 0.425 1.00 13.78 C ATOM 1381 O ILE A 102 6.412 19.411 0.222 1.00 13.24 O ATOM 1382 CB ILE A 102 8.474 17.264 -0.348 1.00 14.28 C ATOM 1383 CG1 ILE A 102 9.088 16.103 -1.144 1.00 16.15 C ATOM 1384 CG2 ILE A 102 8.820 17.120 1.150 1.00 12.68 C ATOM 1385 CD1 ILE A 102 10.575 16.148 -1.317 1.00 16.85 C ATOM 1386 HA ILE A 102 6.658 16.193 -0.300 1.00 0.00 H ATOM 1387 HB ILE A 102 8.872 18.209 -0.718 1.00 0.00 H ATOM 1388 HG12 ILE A 102 8.838 15.175 -0.629 1.00 0.00 H ATOM 1389 HG13 ILE A 102 8.635 16.100 -2.136 1.00 0.00 H ATOM 1390 HD11 ILE A 102 10.851 17.061 -1.845 1.00 0.00 H ATOM 1391 HD12 ILE A 102 11.054 16.135 -0.338 1.00 0.00 H ATOM 1392 HD13 ILE A 102 10.899 15.281 -1.893 1.00 0.00 H ATOM 1393 HG21 ILE A 102 8.365 17.939 1.707 1.00 0.00 H ATOM 1394 HG22 ILE A 102 8.436 16.170 1.521 1.00 0.00 H ATOM 1395 HG23 ILE A 102 9.902 17.150 1.276 1.00 0.00 H ATOM 1396 H ILE A 102 6.758 18.497 -2.258 1.00 0.00 H ATOM 1397 N CYS A 103 5.620 17.700 1.446 1.00 12.19 N ATOM 1398 CA CYS A 103 5.058 18.575 2.435 1.00 12.49 C ATOM 1399 C CYS A 103 5.509 18.227 3.838 1.00 12.45 C ATOM 1400 O CYS A 103 5.958 17.104 4.100 1.00 12.34 O ATOM 1401 CB CYS A 103 3.518 18.600 2.335 1.00 12.62 C ATOM 1402 SG CYS A 103 2.577 17.224 3.153 1.00 15.16 S ATOM 1403 HA CYS A 103 5.433 19.577 2.225 1.00 0.00 H ATOM 1404 HB2 CYS A 103 3.260 18.586 1.276 1.00 0.00 H ATOM 1405 HB3 CYS A 103 3.178 19.536 2.779 1.00 0.00 H ATOM 1406 HG CYS A 103 1.224 17.415 2.958 1.00 0.00 H ATOM 1407 H CYS A 103 5.495 16.671 1.528 1.00 0.00 H ATOM 1408 N HIS A 104 5.389 19.195 4.739 1.00 12.96 N ATOM 1409 CA HIS A 104 5.580 18.943 6.164 1.00 12.98 C ATOM 1410 C HIS A 104 4.230 19.049 6.901 1.00 13.22 C ATOM 1411 O HIS A 104 3.445 19.957 6.625 1.00 12.77 O ATOM 1412 CB HIS A 104 6.604 19.947 6.703 1.00 13.61 C ATOM 1413 CG HIS A 104 8.025 19.632 6.331 1.00 12.80 C ATOM 1414 ND1 HIS A 104 9.090 20.373 6.782 1.00 13.55 N ATOM 1415 CD2 HIS A 104 8.553 18.637 5.577 1.00 13.19 C ATOM 1416 CE1 HIS A 104 10.222 19.850 6.327 1.00 15.49 C ATOM 1417 NE2 HIS A 104 9.923 18.798 5.583 1.00 13.65 N ATOM 1418 HA HIS A 104 5.960 17.935 6.329 1.00 0.00 H ATOM 1419 HB2 HIS A 104 6.357 20.933 6.309 1.00 0.00 H ATOM 1420 HB3 HIS A 104 6.530 19.962 7.790 1.00 0.00 H ATOM 1421 HD2 HIS A 104 7.997 17.854 5.061 1.00 0.00 H ATOM 1422 HE1 HIS A 104 11.225 20.223 6.531 1.00 0.00 H ATOM 1423 H HIS A 104 5.153 20.157 4.421 1.00 0.00 H ATOM 1424 N LEU A 105 3.905 18.071 7.757 1.00 12.99 N ATOM 1425 CA LEU A 105 2.613 18.074 8.468 1.00 12.77 C ATOM 1426 C LEU A 105 2.895 18.014 9.944 1.00 13.20 C ATOM 1427 O LEU A 105 3.798 17.296 10.368 1.00 12.87 O ATOM 1428 CB LEU A 105 1.732 16.865 8.144 1.00 13.59 C ATOM 1429 CG LEU A 105 1.201 16.559 6.758 1.00 14.66 C ATOM 1430 CD1 LEU A 105 0.434 15.230 6.766 1.00 15.13 C ATOM 1431 CD2 LEU A 105 0.314 17.710 6.317 1.00 12.22 C ATOM 1432 HA LEU A 105 2.084 18.975 8.156 1.00 0.00 H ATOM 1433 HB2 LEU A 105 2.308 15.989 8.442 1.00 0.00 H ATOM 1434 HB3 LEU A 105 0.855 16.956 8.785 1.00 0.00 H ATOM 1435 HG LEU A 105 2.024 16.454 6.052 1.00 0.00 H ATOM 1436 HD21 LEU A 105 -0.514 17.818 7.018 1.00 0.00 H ATOM 1437 HD22 LEU A 105 0.898 18.630 6.298 1.00 0.00 H ATOM 1438 HD23 LEU A 105 -0.076 17.505 5.320 1.00 0.00 H ATOM 1439 HD11 LEU A 105 1.103 14.428 7.078 1.00 0.00 H ATOM 1440 HD12 LEU A 105 -0.402 15.299 7.462 1.00 0.00 H ATOM 1441 HD13 LEU A 105 0.058 15.023 5.764 1.00 0.00 H ATOM 1442 H LEU A 105 4.577 17.295 7.923 1.00 0.00 H ATOM 1443 N LEU A 106 2.130 18.772 10.720 1.00 12.69 N ATOM 1444 CA LEU A 106 2.172 18.644 12.157 1.00 13.04 C ATOM 1445 C LEU A 106 0.787 18.208 12.627 1.00 13.39 C ATOM 1446 O LEU A 106 -0.226 18.853 12.302 1.00 13.89 O ATOM 1447 CB LEU A 106 2.660 19.941 12.815 1.00 13.75 C ATOM 1448 CG LEU A 106 2.996 19.825 14.296 1.00 14.85 C ATOM 1449 CD1 LEU A 106 4.298 19.013 14.463 1.00 13.42 C ATOM 1450 CD2 LEU A 106 3.140 21.250 14.890 1.00 14.25 C ATOM 1451 HA LEU A 106 2.895 17.886 12.459 1.00 0.00 H ATOM 1452 HB2 LEU A 106 3.556 20.271 12.290 1.00 0.00 H ATOM 1453 HB3 LEU A 106 1.878 20.692 12.703 1.00 0.00 H ATOM 1454 HG LEU A 106 2.201 19.304 14.830 1.00 0.00 H ATOM 1455 HD21 LEU A 106 3.938 21.780 14.370 1.00 0.00 H ATOM 1456 HD22 LEU A 106 2.202 21.791 14.765 1.00 0.00 H ATOM 1457 HD23 LEU A 106 3.381 21.178 15.951 1.00 0.00 H ATOM 1458 HD11 LEU A 106 4.161 18.018 14.041 1.00 0.00 H ATOM 1459 HD12 LEU A 106 5.110 19.521 13.943 1.00 0.00 H ATOM 1460 HD13 LEU A 106 4.539 18.929 15.523 1.00 0.00 H ATOM 1461 H LEU A 106 1.491 19.468 10.286 1.00 0.00 H ATOM 1462 N CYS A 107 0.745 17.119 13.398 1.00 13.21 N ATOM 1463 CA CYS A 107 -0.490 16.380 13.639 1.00 13.89 C ATOM 1464 C CYS A 107 -0.761 16.243 15.133 1.00 14.13 C ATOM 1465 O CYS A 107 0.019 15.621 15.831 1.00 14.15 O ATOM 1466 CB CYS A 107 -0.376 14.966 13.029 1.00 14.78 C ATOM 1467 SG CYS A 107 0.356 14.832 11.389 1.00 15.12 S ATOM 1468 HA CYS A 107 -1.309 16.931 13.176 1.00 0.00 H ATOM 1469 HB2 CYS A 107 -1.382 14.550 12.974 1.00 0.00 H ATOM 1470 HB3 CYS A 107 0.228 14.364 13.708 1.00 0.00 H ATOM 1471 HG CYS A 107 0.378 13.507 11.004 1.00 0.00 H ATOM 1472 H CYS A 107 1.624 16.785 13.843 1.00 0.00 H ATOM 1473 N LYS A 108 -1.861 16.829 15.629 1.00 14.14 N ATOM 1474 CA LYS A 108 -2.185 16.740 17.060 1.00 14.12 C ATOM 1475 C LYS A 108 -2.671 15.309 17.382 1.00 14.19 C ATOM 1476 O LYS A 108 -3.139 14.591 16.486 1.00 13.51 O ATOM 1477 CB LYS A 108 -3.268 17.770 17.419 1.00 13.67 C ATOM 1478 CG LYS A 108 -2.737 19.226 17.427 1.00 16.06 C ATOM 1479 CD LYS A 108 -3.802 20.189 17.959 1.00 15.65 C ATOM 1480 CE LYS A 108 -3.359 21.647 17.798 1.00 18.53 C ATOM 1481 NZ LYS A 108 -2.117 21.939 18.520 1.00 17.11 N ATOM 1482 HA LYS A 108 -1.296 16.958 17.652 1.00 0.00 H ATOM 1483 HB2 LYS A 108 -4.073 17.697 16.688 1.00 0.00 H ATOM 1484 HB3 LYS A 108 -3.656 17.536 18.410 1.00 0.00 H ATOM 1485 HG2 LYS A 108 -1.854 19.281 18.064 1.00 0.00 H ATOM 1486 HG3 LYS A 108 -2.469 19.515 16.411 1.00 0.00 H ATOM 1487 HD2 LYS A 108 -4.729 20.035 17.406 1.00 0.00 H ATOM 1488 HD3 LYS A 108 -3.972 19.983 19.016 1.00 0.00 H ATOM 1489 HE2 LYS A 108 -4.147 22.296 18.180 1.00 0.00 H ATOM 1490 HE3 LYS A 108 -3.204 21.851 16.738 1.00 0.00 H ATOM 1491 HZ1 LYS A 108 -2.256 21.756 19.534 1.00 0.00 H ATOM 1492 HZ2 LYS A 108 -1.356 21.330 18.158 1.00 0.00 H ATOM 1493 HZ3 LYS A 108 -1.862 22.937 18.378 1.00 0.00 H ATOM 1494 H LYS A 108 -2.494 17.354 14.992 1.00 0.00 H ATOM 1495 N PRO A 109 -2.596 14.892 18.662 1.00 15.22 N ATOM 1496 CA PRO A 109 -2.905 13.471 18.944 1.00 15.04 C ATOM 1497 C PRO A 109 -4.298 13.007 18.518 1.00 15.85 C ATOM 1498 O PRO A 109 -4.465 11.827 18.171 1.00 16.25 O ATOM 1499 CB PRO A 109 -2.748 13.357 20.458 1.00 15.96 C ATOM 1500 CG PRO A 109 -2.527 14.734 20.971 1.00 14.61 C ATOM 1501 CD PRO A 109 -2.100 15.610 19.849 1.00 14.49 C ATOM 1502 HA PRO A 109 -2.242 12.828 18.366 1.00 0.00 H ATOM 1503 HD3 PRO A 109 -2.554 16.598 19.928 1.00 0.00 H ATOM 1504 HD2 PRO A 109 -1.015 15.711 19.821 1.00 0.00 H ATOM 1505 HG3 PRO A 109 -1.752 14.718 21.737 1.00 0.00 H ATOM 1506 HG2 PRO A 109 -3.453 15.116 21.401 1.00 0.00 H ATOM 1507 HB2 PRO A 109 -3.650 12.932 20.898 1.00 0.00 H ATOM 1508 HB3 PRO A 109 -1.894 12.724 20.701 1.00 0.00 H ATOM 1509 N GLU A 110 -5.276 13.918 18.529 1.00 16.17 N ATOM 1510 CA GLU A 110 -6.641 13.628 18.043 1.00 17.38 C ATOM 1511 C GLU A 110 -6.655 13.103 16.603 1.00 17.17 C ATOM 1512 O GLU A 110 -7.558 12.350 16.225 1.00 17.46 O ATOM 1513 CB GLU A 110 -7.555 14.868 18.159 1.00 19.05 C ATOM 1514 CG GLU A 110 -9.034 14.598 17.809 1.00 23.18 C ATOM 1515 CD GLU A 110 -9.887 15.850 17.552 1.00 30.91 C ATOM 1516 OE1 GLU A 110 -11.043 15.670 17.089 1.00 30.62 O ATOM 1517 OE2 GLU A 110 -9.425 16.994 17.796 1.00 32.53 O ATOM 1518 HA GLU A 110 -7.029 12.839 18.687 1.00 0.00 H ATOM 1519 HB2 GLU A 110 -7.507 15.234 19.185 1.00 0.00 H ATOM 1520 HB3 GLU A 110 -7.178 15.636 17.483 1.00 0.00 H ATOM 1521 HG2 GLU A 110 -9.061 13.982 16.910 1.00 0.00 H ATOM 1522 HG3 GLU A 110 -9.482 14.049 18.638 1.00 0.00 H ATOM 1523 H GLU A 110 -5.068 14.869 18.894 1.00 0.00 H ATOM 1524 N TYR A 111 -5.651 13.500 15.815 1.00 15.49 N ATOM 1525 CA TYR A 111 -5.563 13.110 14.409 1.00 15.42 C ATOM 1526 C TYR A 111 -4.415 12.129 14.190 1.00 13.87 C ATOM 1527 O TYR A 111 -4.001 11.854 13.055 1.00 13.98 O ATOM 1528 CB TYR A 111 -5.448 14.358 13.510 1.00 13.74 C ATOM 1529 CG TYR A 111 -6.682 15.243 13.526 1.00 15.92 C ATOM 1530 CD1 TYR A 111 -7.661 15.093 12.560 1.00 16.15 C ATOM 1531 CD2 TYR A 111 -6.850 16.257 14.492 1.00 14.66 C ATOM 1532 CE1 TYR A 111 -8.800 15.894 12.556 1.00 16.54 C ATOM 1533 CE2 TYR A 111 -8.002 17.086 14.495 1.00 15.92 C ATOM 1534 CZ TYR A 111 -8.967 16.880 13.522 1.00 17.88 C ATOM 1535 OH TYR A 111 -10.107 17.662 13.502 1.00 17.97 O ATOM 1536 HA TYR A 111 -6.480 12.592 14.127 1.00 0.00 H ATOM 1537 HB3 TYR A 111 -5.275 14.029 12.486 1.00 0.00 H ATOM 1538 HB2 TYR A 111 -4.597 14.949 13.849 1.00 0.00 H ATOM 1539 HD2 TYR A 111 -6.081 16.407 15.250 1.00 0.00 H ATOM 1540 HE2 TYR A 111 -8.125 17.867 15.245 1.00 0.00 H ATOM 1541 HE1 TYR A 111 -9.564 15.747 11.792 1.00 0.00 H ATOM 1542 HD1 TYR A 111 -7.538 14.334 11.788 1.00 0.00 H ATOM 1543 HH TYR A 111 -10.684 17.383 12.748 1.00 0.00 H ATOM 1544 H TYR A 111 -4.907 14.107 16.216 1.00 0.00 H ATOM 1545 N ALA A 112 -3.887 11.590 15.285 1.00 13.88 N ATOM 1546 CA ALA A 112 -2.815 10.614 15.159 1.00 12.67 C ATOM 1547 C ALA A 112 -3.123 9.434 16.084 1.00 12.36 C ATOM 1548 O ALA A 112 -4.120 8.719 15.851 1.00 11.72 O ATOM 1549 CB ALA A 112 -1.415 11.240 15.426 1.00 12.85 C ATOM 1550 HA ALA A 112 -2.769 10.254 14.131 1.00 0.00 H ATOM 1551 HB1 ALA A 112 -1.233 12.039 14.707 1.00 0.00 H ATOM 1552 HB2 ALA A 112 -1.387 11.646 16.437 1.00 0.00 H ATOM 1553 HB3 ALA A 112 -0.649 10.472 15.320 1.00 0.00 H ATOM 1554 H ALA A 112 -4.238 11.864 16.225 1.00 0.00 H ATOM 1555 N TYR A 113 -2.303 9.228 17.114 1.00 11.87 N ATOM 1556 CA TYR A 113 -2.448 8.032 17.979 1.00 12.83 C ATOM 1557 C TYR A 113 -3.165 8.260 19.332 1.00 14.53 C ATOM 1558 O TYR A 113 -3.273 7.330 20.146 1.00 15.62 O ATOM 1559 CB TYR A 113 -1.110 7.323 18.187 1.00 12.83 C ATOM 1560 CG TYR A 113 -0.510 6.722 16.933 1.00 13.02 C ATOM 1561 CD1 TYR A 113 -0.849 5.426 16.514 1.00 14.74 C ATOM 1562 CD2 TYR A 113 0.409 7.446 16.172 1.00 14.09 C ATOM 1563 CE1 TYR A 113 -0.280 4.876 15.366 1.00 14.91 C ATOM 1564 CE2 TYR A 113 0.976 6.911 15.025 1.00 12.74 C ATOM 1565 CZ TYR A 113 0.628 5.646 14.618 1.00 13.39 C ATOM 1566 OH TYR A 113 1.247 5.157 13.484 1.00 13.00 O ATOM 1567 HA TYR A 113 -3.121 7.386 17.416 1.00 0.00 H ATOM 1568 HB3 TYR A 113 -1.259 6.521 18.910 1.00 0.00 H ATOM 1569 HB2 TYR A 113 -0.401 8.047 18.590 1.00 0.00 H ATOM 1570 HD2 TYR A 113 0.687 8.452 16.486 1.00 0.00 H ATOM 1571 HE2 TYR A 113 1.695 7.492 14.448 1.00 0.00 H ATOM 1572 HE1 TYR A 113 -0.535 3.864 15.053 1.00 0.00 H ATOM 1573 HD1 TYR A 113 -1.565 4.843 17.093 1.00 0.00 H ATOM 1574 HH TYR A 113 2.226 5.129 13.630 1.00 0.00 H ATOM 1575 H TYR A 113 -1.550 9.917 17.314 1.00 0.00 H ATOM 1576 N GLY A 114 -3.694 9.465 19.544 1.00 15.00 N ATOM 1577 CA GLY A 114 -4.543 9.751 20.724 1.00 16.85 C ATOM 1578 C GLY A 114 -3.886 9.358 22.041 1.00 17.16 C ATOM 1579 O GLY A 114 -2.667 9.412 22.180 1.00 16.92 O ATOM 1580 HA3 GLY A 114 -5.476 9.197 20.623 1.00 0.00 H ATOM 1581 HA2 GLY A 114 -4.756 10.820 20.748 1.00 0.00 H ATOM 1582 H GLY A 114 -3.505 10.226 18.861 1.00 0.00 H ATOM 1583 N SER A 115 -4.695 8.960 23.013 1.00 18.53 N ATOM 1584 CA SER A 115 -4.168 8.643 24.336 1.00 19.23 C ATOM 1585 C SER A 115 -3.480 7.279 24.319 1.00 19.25 C ATOM 1586 O SER A 115 -2.622 7.015 25.162 1.00 19.71 O ATOM 1587 CB SER A 115 -5.287 8.664 25.382 1.00 20.36 C ATOM 1588 OG SER A 115 -6.314 7.758 25.031 1.00 21.99 O ATOM 1589 HA SER A 115 -3.433 9.401 24.605 1.00 0.00 H ATOM 1590 HB2 SER A 115 -5.702 9.670 25.443 1.00 0.00 H ATOM 1591 HB3 SER A 115 -4.877 8.382 26.352 1.00 0.00 H ATOM 1592 HG SER A 115 -6.691 8.013 24.152 1.00 0.00 H ATOM 1593 H SER A 115 -5.715 8.873 22.831 1.00 0.00 H ATOM 1594 N ALA A 116 -3.866 6.422 23.368 1.00 17.96 N ATOM 1595 CA ALA A 116 -3.285 5.090 23.257 1.00 19.02 C ATOM 1596 C ALA A 116 -1.823 5.093 22.843 1.00 17.85 C ATOM 1597 O ALA A 116 -1.048 4.257 23.324 1.00 18.50 O ATOM 1598 CB ALA A 116 -4.102 4.190 22.339 1.00 18.82 C ATOM 1599 HA ALA A 116 -3.319 4.679 24.266 1.00 0.00 H ATOM 1600 HB1 ALA A 116 -5.113 4.091 22.735 1.00 0.00 H ATOM 1601 HB2 ALA A 116 -4.142 4.630 21.343 1.00 0.00 H ATOM 1602 HB3 ALA A 116 -3.634 3.207 22.285 1.00 0.00 H ATOM 1603 H ALA A 116 -4.599 6.713 22.690 1.00 0.00 H ATOM 1604 N GLY A 117 -1.456 6.016 21.952 1.00 16.94 N ATOM 1605 CA GLY A 117 -0.100 6.053 21.378 1.00 16.34 C ATOM 1606 C GLY A 117 0.178 4.855 20.474 1.00 16.66 C ATOM 1607 O GLY A 117 -0.758 4.162 20.064 1.00 16.12 O ATOM 1608 HA3 GLY A 117 0.626 6.055 22.191 1.00 0.00 H ATOM 1609 HA2 GLY A 117 0.009 6.967 20.794 1.00 0.00 H ATOM 1610 H GLY A 117 -2.149 6.732 21.653 1.00 0.00 H ATOM 1611 N SER A 118 1.463 4.639 20.149 1.00 16.28 N ATOM 1612 CA SER A 118 1.927 3.472 19.394 1.00 16.89 C ATOM 1613 C SER A 118 3.208 2.978 20.065 1.00 16.88 C ATOM 1614 O SER A 118 4.324 3.189 19.559 1.00 16.46 O ATOM 1615 CB SER A 118 2.152 3.807 17.904 1.00 16.90 C ATOM 1616 OG SER A 118 2.352 2.644 17.081 1.00 19.50 O ATOM 1617 HA SER A 118 1.169 2.688 19.406 1.00 0.00 H ATOM 1618 HB2 SER A 118 3.032 4.444 17.822 1.00 0.00 H ATOM 1619 HB3 SER A 118 1.279 4.346 17.535 1.00 0.00 H ATOM 1620 HG SER A 118 2.490 2.925 16.142 1.00 0.00 H ATOM 1621 H SER A 118 2.169 5.340 20.450 1.00 0.00 H ATOM 1622 N LEU A 119 3.026 2.343 21.220 1.00 16.13 N ATOM 1623 CA LEU A 119 4.138 1.989 22.115 1.00 17.26 C ATOM 1624 C LEU A 119 5.053 0.921 21.515 1.00 17.13 C ATOM 1625 O LEU A 119 4.584 -0.015 20.848 1.00 16.88 O ATOM 1626 CB LEU A 119 3.607 1.547 23.487 1.00 18.38 C ATOM 1627 CG LEU A 119 2.995 2.639 24.368 1.00 19.62 C ATOM 1628 CD1 LEU A 119 2.633 1.982 25.685 1.00 23.24 C ATOM 1629 CD2 LEU A 119 3.975 3.810 24.595 1.00 21.59 C ATOM 1630 HA LEU A 119 4.744 2.886 22.245 1.00 0.00 H ATOM 1631 HB2 LEU A 119 2.841 0.790 23.318 1.00 0.00 H ATOM 1632 HB3 LEU A 119 4.438 1.105 24.037 1.00 0.00 H ATOM 1633 HG LEU A 119 2.118 3.067 23.883 1.00 0.00 H ATOM 1634 HD21 LEU A 119 4.875 3.439 25.085 1.00 0.00 H ATOM 1635 HD22 LEU A 119 4.239 4.253 23.635 1.00 0.00 H ATOM 1636 HD23 LEU A 119 3.501 4.562 25.225 1.00 0.00 H ATOM 1637 HD11 LEU A 119 1.916 1.181 25.505 1.00 0.00 H ATOM 1638 HD12 LEU A 119 3.532 1.571 26.144 1.00 0.00 H ATOM 1639 HD13 LEU A 119 2.191 2.724 26.350 1.00 0.00 H ATOM 1640 H LEU A 119 2.058 2.087 21.501 1.00 0.00 H ATOM 1641 N PRO A 120 6.360 1.018 21.788 1.00 17.17 N ATOM 1642 CA PRO A 120 7.020 1.946 22.730 1.00 17.87 C ATOM 1643 C PRO A 120 7.385 3.308 22.145 1.00 18.22 C ATOM 1644 O PRO A 120 7.677 4.250 22.912 1.00 18.82 O ATOM 1645 CB PRO A 120 8.319 1.200 23.065 1.00 19.63 C ATOM 1646 CG PRO A 120 8.634 0.446 21.851 1.00 18.54 C ATOM 1647 CD PRO A 120 7.283 -0.041 21.339 1.00 17.50 C ATOM 1648 HA PRO A 120 6.356 2.176 23.563 1.00 0.00 H ATOM 1649 HD3 PRO A 120 7.283 -0.127 20.252 1.00 0.00 H ATOM 1650 HD2 PRO A 120 7.020 -1.003 21.779 1.00 0.00 H ATOM 1651 HG3 PRO A 120 9.286 -0.397 22.080 1.00 0.00 H ATOM 1652 HG2 PRO A 120 9.117 1.087 21.114 1.00 0.00 H ATOM 1653 HB2 PRO A 120 9.118 1.904 23.300 1.00 0.00 H ATOM 1654 HB3 PRO A 120 8.170 0.527 23.909 1.00 0.00 H ATOM 1655 N LYS A 121 7.402 3.389 20.821 1.00 17.52 N ATOM 1656 CA LYS A 121 8.053 4.521 20.121 1.00 18.78 C ATOM 1657 C LYS A 121 7.269 5.817 20.140 1.00 18.87 C ATOM 1658 O LYS A 121 7.873 6.894 20.189 1.00 18.47 O ATOM 1659 CB LYS A 121 8.408 4.158 18.682 1.00 19.15 C ATOM 1660 CG LYS A 121 9.632 3.274 18.549 1.00 21.64 C ATOM 1661 CD LYS A 121 10.156 3.330 17.119 1.00 24.83 C ATOM 1662 CE LYS A 121 11.395 2.447 16.925 1.00 29.09 C ATOM 1663 NZ LYS A 121 12.019 2.760 15.597 1.00 30.12 N ATOM 1664 HA LYS A 121 8.961 4.704 20.695 1.00 0.00 H ATOM 1665 HB2 LYS A 121 7.559 3.636 18.241 1.00 0.00 H ATOM 1666 HB3 LYS A 121 8.591 5.081 18.131 1.00 0.00 H ATOM 1667 HG2 LYS A 121 10.406 3.622 19.232 1.00 0.00 H ATOM 1668 HG3 LYS A 121 9.366 2.247 18.797 1.00 0.00 H ATOM 1669 HD2 LYS A 121 9.372 2.989 16.443 1.00 0.00 H ATOM 1670 HD3 LYS A 121 10.417 4.361 16.880 1.00 0.00 H ATOM 1671 HE2 LYS A 121 11.103 1.397 16.953 1.00 0.00 H ATOM 1672 HE3 LYS A 121 12.113 2.645 17.721 1.00 0.00 H ATOM 1673 HZ1 LYS A 121 11.332 2.571 14.839 1.00 0.00 H ATOM 1674 HZ2 LYS A 121 12.296 3.762 15.573 1.00 0.00 H ATOM 1675 HZ3 LYS A 121 12.860 2.163 15.461 1.00 0.00 H ATOM 1676 H LYS A 121 6.947 2.640 20.261 1.00 0.00 H ATOM 1677 N ILE A 122 5.933 5.707 20.082 1.00 18.30 N ATOM 1678 CA ILE A 122 5.032 6.862 20.153 1.00 18.78 C ATOM 1679 C ILE A 122 4.224 6.848 21.459 1.00 19.37 C ATOM 1680 O ILE A 122 3.375 5.979 21.671 1.00 19.30 O ATOM 1681 CB ILE A 122 4.130 6.956 18.886 1.00 17.89 C ATOM 1682 CG1 ILE A 122 5.046 7.066 17.650 1.00 18.53 C ATOM 1683 CG2 ILE A 122 3.156 8.151 18.974 1.00 17.69 C ATOM 1684 CD1 ILE A 122 4.339 7.260 16.330 1.00 17.79 C ATOM 1685 HA ILE A 122 5.636 7.769 20.167 1.00 0.00 H ATOM 1686 HB ILE A 122 3.512 6.061 18.808 1.00 0.00 H ATOM 1687 HG12 ILE A 122 5.714 7.914 17.801 1.00 0.00 H ATOM 1688 HG13 ILE A 122 5.633 6.150 17.585 1.00 0.00 H ATOM 1689 HD11 ILE A 122 3.676 6.415 16.147 1.00 0.00 H ATOM 1690 HD12 ILE A 122 3.756 8.180 16.363 1.00 0.00 H ATOM 1691 HD13 ILE A 122 5.077 7.325 15.530 1.00 0.00 H ATOM 1692 HG21 ILE A 122 2.515 8.032 19.847 1.00 0.00 H ATOM 1693 HG22 ILE A 122 3.725 9.076 19.063 1.00 0.00 H ATOM 1694 HG23 ILE A 122 2.543 8.185 18.073 1.00 0.00 H ATOM 1695 H ILE A 122 5.517 4.759 19.982 1.00 0.00 H ATOM 1696 N PRO A 123 4.498 7.818 22.349 1.00 20.13 N ATOM 1697 CA PRO A 123 3.818 7.873 23.627 1.00 20.23 C ATOM 1698 C PRO A 123 2.380 8.394 23.543 1.00 19.79 C ATOM 1699 O PRO A 123 1.944 8.858 22.490 1.00 19.31 O ATOM 1700 CB PRO A 123 4.710 8.819 24.473 1.00 21.18 C ATOM 1701 CG PRO A 123 5.905 9.135 23.632 1.00 20.98 C ATOM 1702 CD PRO A 123 5.485 8.908 22.211 1.00 20.50 C ATOM 1703 HA PRO A 123 3.703 6.877 24.055 1.00 0.00 H ATOM 1704 HD3 PRO A 123 5.030 9.802 21.785 1.00 0.00 H ATOM 1705 HD2 PRO A 123 6.329 8.602 21.593 1.00 0.00 H ATOM 1706 HG3 PRO A 123 6.735 8.478 23.891 1.00 0.00 H ATOM 1707 HG2 PRO A 123 6.206 10.173 23.777 1.00 0.00 H ATOM 1708 HB2 PRO A 123 4.167 9.732 24.716 1.00 0.00 H ATOM 1709 HB3 PRO A 123 5.017 8.324 25.394 1.00 0.00 H ATOM 1710 N SER A 124 1.649 8.265 24.648 1.00 20.00 N ATOM 1711 CA SER A 124 0.311 8.837 24.790 1.00 20.09 C ATOM 1712 C SER A 124 0.290 10.344 24.492 1.00 19.87 C ATOM 1713 O SER A 124 1.203 11.086 24.885 1.00 19.34 O ATOM 1714 CB SER A 124 -0.218 8.591 26.209 1.00 20.99 C ATOM 1715 OG SER A 124 -1.521 9.115 26.364 1.00 21.56 O ATOM 1716 HA SER A 124 -0.330 8.343 24.060 1.00 0.00 H ATOM 1717 HB2 SER A 124 0.447 9.072 26.926 1.00 0.00 H ATOM 1718 HB3 SER A 124 -0.240 7.518 26.400 1.00 0.00 H ATOM 1719 HG SER A 124 -2.130 8.677 25.718 1.00 0.00 H ATOM 1720 H SER A 124 2.048 7.733 25.447 1.00 0.00 H ATOM 1721 N ASN A 125 -0.752 10.768 23.783 1.00 19.16 N ATOM 1722 CA ASN A 125 -1.014 12.182 23.560 1.00 19.52 C ATOM 1723 C ASN A 125 0.130 12.927 22.843 1.00 18.89 C ATOM 1724 O ASN A 125 0.399 14.097 23.127 1.00 18.74 O ATOM 1725 CB ASN A 125 -1.413 12.839 24.894 1.00 21.34 C ATOM 1726 CG ASN A 125 -2.701 12.233 25.473 1.00 23.53 C ATOM 1727 OD1 ASN A 125 -2.794 11.964 26.667 1.00 28.88 O ATOM 1728 ND2 ASN A 125 -3.688 12.005 24.608 1.00 25.96 N ATOM 1729 HA ASN A 125 -1.848 12.260 22.862 1.00 0.00 H ATOM 1730 HB2 ASN A 125 -0.604 12.698 25.611 1.00 0.00 H ATOM 1731 HB3 ASN A 125 -1.569 13.905 24.729 1.00 0.00 H ATOM 1732 HD22 ASN A 125 -3.566 12.249 23.604 1.00 0.00 H ATOM 1733 HD21 ASN A 125 -4.580 11.583 24.936 1.00 0.00 H ATOM 1734 H ASN A 125 -1.401 10.066 23.374 1.00 0.00 H ATOM 1735 N ALA A 126 0.794 12.236 21.906 1.00 17.57 N ATOM 1736 CA ALA A 126 1.883 12.842 21.139 1.00 16.93 C ATOM 1737 C ALA A 126 1.419 13.671 19.937 1.00 16.10 C ATOM 1738 O ALA A 126 0.576 13.231 19.144 1.00 16.08 O ATOM 1739 CB ALA A 126 2.922 11.773 20.675 1.00 17.49 C ATOM 1740 HA ALA A 126 2.358 13.536 21.833 1.00 0.00 H ATOM 1741 HB1 ALA A 126 3.348 11.279 21.548 1.00 0.00 H ATOM 1742 HB2 ALA A 126 2.425 11.035 20.045 1.00 0.00 H ATOM 1743 HB3 ALA A 126 3.715 12.261 20.109 1.00 0.00 H ATOM 1744 H ALA A 126 0.530 11.248 21.720 1.00 0.00 H ATOM 1745 N THR A 127 2.029 14.843 19.773 1.00 15.20 N ATOM 1746 CA THR A 127 1.916 15.610 18.519 1.00 14.91 C ATOM 1747 C THR A 127 3.056 15.146 17.614 1.00 14.07 C ATOM 1748 O THR A 127 4.205 15.087 18.058 1.00 14.30 O ATOM 1749 CB THR A 127 1.921 17.167 18.792 1.00 14.46 C ATOM 1750 OG1 THR A 127 0.663 17.554 19.391 1.00 15.25 O ATOM 1751 CG2 THR A 127 2.141 17.978 17.512 1.00 13.61 C ATOM 1752 HA THR A 127 0.964 15.424 18.022 1.00 0.00 H ATOM 1753 HB THR A 127 2.750 17.380 19.467 1.00 0.00 H ATOM 1754 HG1 THR A 127 0.666 18.529 19.562 1.00 0.00 H ATOM 1755 HG23 THR A 127 3.089 17.688 17.058 1.00 0.00 H ATOM 1756 HG21 THR A 127 1.327 17.781 16.814 1.00 0.00 H ATOM 1757 HG22 THR A 127 2.163 19.040 17.756 1.00 0.00 H ATOM 1758 H THR A 127 2.601 15.228 20.551 1.00 0.00 H ATOM 1759 N LEU A 128 2.727 14.766 16.371 1.00 13.07 N ATOM 1760 CA LEU A 128 3.686 14.159 15.431 1.00 12.49 C ATOM 1761 C LEU A 128 4.004 15.047 14.240 1.00 12.04 C ATOM 1762 O LEU A 128 3.107 15.678 13.680 1.00 11.52 O ATOM 1763 CB LEU A 128 3.158 12.803 14.885 1.00 12.37 C ATOM 1764 CG LEU A 128 2.803 11.723 15.922 1.00 11.76 C ATOM 1765 CD1 LEU A 128 2.431 10.435 15.186 1.00 14.39 C ATOM 1766 CD2 LEU A 128 3.955 11.455 16.917 1.00 14.47 C ATOM 1767 HA LEU A 128 4.597 14.014 16.011 1.00 0.00 H ATOM 1768 HB2 LEU A 128 2.259 13.010 14.304 1.00 0.00 H ATOM 1769 HB3 LEU A 128 3.925 12.391 14.230 1.00 0.00 H ATOM 1770 HG LEU A 128 1.960 12.084 16.511 1.00 0.00 H ATOM 1771 HD21 LEU A 128 4.835 11.118 16.369 1.00 0.00 H ATOM 1772 HD22 LEU A 128 4.189 12.373 17.455 1.00 0.00 H ATOM 1773 HD23 LEU A 128 3.650 10.685 17.625 1.00 0.00 H ATOM 1774 HD11 LEU A 128 1.574 10.622 14.539 1.00 0.00 H ATOM 1775 HD12 LEU A 128 3.277 10.105 14.584 1.00 0.00 H ATOM 1776 HD13 LEU A 128 2.178 9.663 15.913 1.00 0.00 H ATOM 1777 H LEU A 128 1.746 14.907 16.055 1.00 0.00 H ATOM 1778 N PHE A 129 5.277 15.050 13.842 1.00 12.15 N ATOM 1779 CA PHE A 129 5.705 15.720 12.609 1.00 13.20 C ATOM 1780 C PHE A 129 5.969 14.648 11.553 1.00 13.58 C ATOM 1781 O PHE A 129 6.604 13.639 11.848 1.00 14.88 O ATOM 1782 CB PHE A 129 7.005 16.470 12.861 1.00 13.06 C ATOM 1783 CG PHE A 129 7.671 16.973 11.611 1.00 14.32 C ATOM 1784 CD1 PHE A 129 7.396 18.251 11.136 1.00 14.73 C ATOM 1785 CD2 PHE A 129 8.590 16.167 10.919 1.00 16.15 C ATOM 1786 CE1 PHE A 129 8.028 18.750 9.996 1.00 16.16 C ATOM 1787 CE2 PHE A 129 9.215 16.640 9.755 1.00 16.94 C ATOM 1788 CZ PHE A 129 8.926 17.922 9.290 1.00 17.87 C ATOM 1789 HA PHE A 129 4.935 16.417 12.279 1.00 0.00 H ATOM 1790 HB2 PHE A 129 6.790 17.324 13.503 1.00 0.00 H ATOM 1791 HB3 PHE A 129 7.695 15.799 13.371 1.00 0.00 H ATOM 1792 HD2 PHE A 129 8.819 15.168 11.289 1.00 0.00 H ATOM 1793 HE2 PHE A 129 9.922 16.009 9.218 1.00 0.00 H ATOM 1794 HZ PHE A 129 9.396 18.286 8.377 1.00 0.00 H ATOM 1795 HE1 PHE A 129 7.830 19.766 9.656 1.00 0.00 H ATOM 1796 HD1 PHE A 129 6.674 18.874 11.664 1.00 0.00 H ATOM 1797 H PHE A 129 5.988 14.562 14.424 1.00 0.00 H ATOM 1798 N PHE A 130 5.554 14.890 10.315 1.00 12.66 N ATOM 1799 CA PHE A 130 5.879 13.993 9.223 1.00 13.81 C ATOM 1800 C PHE A 130 6.282 14.831 8.021 1.00 14.80 C ATOM 1801 O PHE A 130 5.703 15.886 7.776 1.00 14.70 O ATOM 1802 CB PHE A 130 4.649 13.193 8.793 1.00 13.54 C ATOM 1803 CG PHE A 130 4.314 12.005 9.673 1.00 13.66 C ATOM 1804 CD1 PHE A 130 4.931 10.767 9.464 1.00 12.36 C ATOM 1805 CD2 PHE A 130 3.314 12.092 10.651 1.00 13.93 C ATOM 1806 CE1 PHE A 130 4.578 9.624 10.243 1.00 14.86 C ATOM 1807 CE2 PHE A 130 2.972 10.970 11.443 1.00 14.00 C ATOM 1808 CZ PHE A 130 3.591 9.726 11.222 1.00 12.78 C ATOM 1809 HA PHE A 130 6.671 13.322 9.554 1.00 0.00 H ATOM 1810 HB2 PHE A 130 3.791 13.866 8.793 1.00 0.00 H ATOM 1811 HB3 PHE A 130 4.821 12.826 7.781 1.00 0.00 H ATOM 1812 HD2 PHE A 130 2.792 13.037 10.804 1.00 0.00 H ATOM 1813 HE2 PHE A 130 2.224 11.070 12.229 1.00 0.00 H ATOM 1814 HZ PHE A 130 3.303 8.854 11.808 1.00 0.00 H ATOM 1815 HE1 PHE A 130 5.080 8.672 10.072 1.00 0.00 H ATOM 1816 HD1 PHE A 130 5.695 10.673 8.692 1.00 0.00 H ATOM 1817 H PHE A 130 4.985 15.739 10.125 1.00 0.00 H ATOM 1818 N GLU A 131 7.271 14.362 7.284 1.00 15.25 N ATOM 1819 CA GLU A 131 7.517 14.899 5.957 1.00 15.66 C ATOM 1820 C GLU A 131 7.037 13.780 5.046 1.00 16.05 C ATOM 1821 O GLU A 131 7.383 12.622 5.274 1.00 15.83 O ATOM 1822 CB GLU A 131 8.988 15.193 5.750 1.00 17.08 C ATOM 1823 CG GLU A 131 9.336 15.503 4.272 1.00 18.18 C ATOM 1824 CD GLU A 131 10.815 15.531 4.020 1.00 20.64 C ATOM 1825 OE1 GLU A 131 11.456 16.528 4.405 1.00 20.51 O ATOM 1826 OE2 GLU A 131 11.339 14.555 3.409 1.00 24.36 O ATOM 1827 HA GLU A 131 7.011 15.847 5.772 1.00 0.00 H ATOM 1828 HB2 GLU A 131 9.261 16.054 6.360 1.00 0.00 H ATOM 1829 HB3 GLU A 131 9.565 14.325 6.069 1.00 0.00 H ATOM 1830 HG2 GLU A 131 8.888 14.736 3.640 1.00 0.00 H ATOM 1831 HG3 GLU A 131 8.919 16.476 4.012 1.00 0.00 H ATOM 1832 H GLU A 131 7.878 13.603 7.655 1.00 0.00 H ATOM 1833 N ILE A 132 6.159 14.118 4.102 1.00 14.06 N ATOM 1834 CA ILE A 132 5.641 13.160 3.138 1.00 14.02 C ATOM 1835 C ILE A 132 6.044 13.598 1.740 1.00 14.98 C ATOM 1836 O ILE A 132 5.879 14.761 1.362 1.00 15.25 O ATOM 1837 CB ILE A 132 4.082 12.992 3.242 1.00 12.80 C ATOM 1838 CG1 ILE A 132 3.651 12.604 4.677 1.00 14.79 C ATOM 1839 CG2 ILE A 132 3.574 11.976 2.221 1.00 13.47 C ATOM 1840 CD1 ILE A 132 2.123 12.485 4.853 1.00 14.72 C ATOM 1841 HA ILE A 132 6.072 12.184 3.360 1.00 0.00 H ATOM 1842 HB ILE A 132 3.628 13.956 3.013 1.00 0.00 H ATOM 1843 HG12 ILE A 132 4.102 11.643 4.925 1.00 0.00 H ATOM 1844 HG13 ILE A 132 4.019 13.365 5.365 1.00 0.00 H ATOM 1845 HD11 ILE A 132 1.656 13.442 4.620 1.00 0.00 H ATOM 1846 HD12 ILE A 132 1.740 11.719 4.179 1.00 0.00 H ATOM 1847 HD13 ILE A 132 1.898 12.210 5.883 1.00 0.00 H ATOM 1848 HG21 ILE A 132 3.824 12.316 1.216 1.00 0.00 H ATOM 1849 HG22 ILE A 132 4.044 11.010 2.406 1.00 0.00 H ATOM 1850 HG23 ILE A 132 2.492 11.879 2.314 1.00 0.00 H ATOM 1851 H ILE A 132 5.832 15.104 4.053 1.00 0.00 H ATOM 1852 N GLU A 133 6.587 12.664 0.969 1.00 15.43 N ATOM 1853 CA GLU A 133 6.817 12.921 -0.457 1.00 16.63 C ATOM 1854 C GLU A 133 5.853 12.033 -1.191 1.00 16.20 C ATOM 1855 O GLU A 133 5.845 10.822 -0.985 1.00 15.79 O ATOM 1856 CB GLU A 133 8.267 12.584 -0.867 1.00 16.99 C ATOM 1857 CG GLU A 133 8.559 12.809 -2.367 1.00 19.32 C ATOM 1858 CD GLU A 133 9.983 12.435 -2.791 1.00 22.17 C ATOM 1859 OE1 GLU A 133 10.755 11.886 -1.973 1.00 24.04 O ATOM 1860 OE2 GLU A 133 10.316 12.675 -3.966 1.00 22.45 O ATOM 1861 HA GLU A 133 6.666 13.975 -0.690 1.00 0.00 H ATOM 1862 HB2 GLU A 133 8.943 13.212 -0.287 1.00 0.00 H ATOM 1863 HB3 GLU A 133 8.456 11.536 -0.633 1.00 0.00 H ATOM 1864 HG2 GLU A 133 7.860 12.206 -2.946 1.00 0.00 H ATOM 1865 HG3 GLU A 133 8.400 13.864 -2.592 1.00 0.00 H ATOM 1866 H GLU A 133 6.851 11.745 1.378 1.00 0.00 H ATOM 1867 N LEU A 134 5.002 12.619 -2.021 1.00 16.18 N ATOM 1868 CA LEU A 134 4.103 11.773 -2.786 1.00 17.38 C ATOM 1869 C LEU A 134 4.808 11.414 -4.085 1.00 17.96 C ATOM 1870 O LEU A 134 4.830 12.211 -5.018 1.00 18.56 O ATOM 1871 CB LEU A 134 2.750 12.429 -3.022 1.00 16.67 C ATOM 1872 CG LEU A 134 1.712 11.674 -3.853 1.00 17.48 C ATOM 1873 CD1 LEU A 134 1.187 10.395 -3.158 1.00 16.94 C ATOM 1874 CD2 LEU A 134 0.549 12.566 -4.151 1.00 17.36 C ATOM 1875 HA LEU A 134 3.877 10.867 -2.224 1.00 0.00 H ATOM 1876 HB2 LEU A 134 2.307 12.615 -2.044 1.00 0.00 H ATOM 1877 HB3 LEU A 134 2.935 13.379 -3.523 1.00 0.00 H ATOM 1878 HG LEU A 134 2.218 11.370 -4.769 1.00 0.00 H ATOM 1879 HD21 LEU A 134 0.093 12.891 -3.216 1.00 0.00 H ATOM 1880 HD22 LEU A 134 0.894 13.436 -4.710 1.00 0.00 H ATOM 1881 HD23 LEU A 134 -0.185 12.019 -4.743 1.00 0.00 H ATOM 1882 HD11 LEU A 134 2.019 9.716 -2.974 1.00 0.00 H ATOM 1883 HD12 LEU A 134 0.719 10.664 -2.211 1.00 0.00 H ATOM 1884 HD13 LEU A 134 0.454 9.908 -3.802 1.00 0.00 H ATOM 1885 H LEU A 134 4.979 13.654 -2.121 1.00 0.00 H ATOM 1886 N LEU A 135 5.361 10.201 -4.102 1.00 18.87 N ATOM 1887 CA LEU A 135 6.128 9.645 -5.210 1.00 19.68 C ATOM 1888 C LEU A 135 5.297 9.381 -6.457 1.00 20.08 C ATOM 1889 O LEU A 135 5.722 9.697 -7.560 1.00 20.43 O ATOM 1890 CB LEU A 135 6.834 8.359 -4.770 1.00 20.34 C ATOM 1891 CG LEU A 135 7.900 8.485 -3.680 1.00 19.88 C ATOM 1892 CD1 LEU A 135 8.224 7.126 -3.095 1.00 21.85 C ATOM 1893 CD2 LEU A 135 9.166 9.146 -4.204 1.00 20.51 C ATOM 1894 HA LEU A 135 6.862 10.403 -5.483 1.00 0.00 H ATOM 1895 HB2 LEU A 135 6.070 7.674 -4.404 1.00 0.00 H ATOM 1896 HB3 LEU A 135 7.313 7.930 -5.650 1.00 0.00 H ATOM 1897 HG LEU A 135 7.492 9.122 -2.896 1.00 0.00 H ATOM 1898 HD21 LEU A 135 9.576 8.548 -5.018 1.00 0.00 H ATOM 1899 HD22 LEU A 135 8.928 10.145 -4.569 1.00 0.00 H ATOM 1900 HD23 LEU A 135 9.897 9.216 -3.399 1.00 0.00 H ATOM 1901 HD11 LEU A 135 7.322 6.694 -2.661 1.00 0.00 H ATOM 1902 HD12 LEU A 135 8.598 6.472 -3.883 1.00 0.00 H ATOM 1903 HD13 LEU A 135 8.984 7.237 -2.322 1.00 0.00 H ATOM 1904 H LEU A 135 5.235 9.605 -3.259 1.00 0.00 H ATOM 1905 N ASP A 136 4.111 8.802 -6.277 1.00 19.86 N ATOM 1906 CA ASP A 136 3.251 8.415 -7.399 1.00 21.21 C ATOM 1907 C ASP A 136 1.884 7.997 -6.851 1.00 20.84 C ATOM 1908 O ASP A 136 1.742 7.774 -5.646 1.00 19.19 O ATOM 1909 CB ASP A 136 3.894 7.229 -8.146 1.00 22.42 C ATOM 1910 CG ASP A 136 3.224 6.907 -9.491 1.00 25.47 C ATOM 1911 OD1 ASP A 136 2.598 7.784 -10.130 1.00 25.72 O ATOM 1912 OD2 ASP A 136 3.353 5.739 -9.912 1.00 28.13 O ATOM 1913 HA ASP A 136 3.132 9.252 -8.087 1.00 0.00 H ATOM 1914 HB2 ASP A 136 4.942 7.466 -8.332 1.00 0.00 H ATOM 1915 HB3 ASP A 136 3.830 6.346 -7.510 1.00 0.00 H ATOM 1916 H ASP A 136 3.784 8.618 -5.307 1.00 0.00 H ATOM 1917 N PHE A 137 0.883 7.936 -7.728 1.00 20.53 N ATOM 1918 CA PHE A 137 -0.378 7.289 -7.407 1.00 21.14 C ATOM 1919 C PHE A 137 -1.053 6.685 -8.634 1.00 22.29 C ATOM 1920 O PHE A 137 -0.872 7.159 -9.761 1.00 22.88 O ATOM 1921 CB PHE A 137 -1.348 8.188 -6.607 1.00 20.63 C ATOM 1922 CG PHE A 137 -1.784 9.430 -7.318 1.00 19.37 C ATOM 1923 CD1 PHE A 137 -2.925 9.427 -8.133 1.00 20.03 C ATOM 1924 CD2 PHE A 137 -1.069 10.617 -7.149 1.00 18.28 C ATOM 1925 CE1 PHE A 137 -3.333 10.580 -8.789 1.00 19.81 C ATOM 1926 CE2 PHE A 137 -1.470 11.781 -7.784 1.00 17.43 C ATOM 1927 CZ PHE A 137 -2.608 11.765 -8.603 1.00 17.94 C ATOM 1928 HA PHE A 137 -0.114 6.465 -6.744 1.00 0.00 H ATOM 1929 HB2 PHE A 137 -2.237 7.603 -6.371 1.00 0.00 H ATOM 1930 HB3 PHE A 137 -0.852 8.483 -5.682 1.00 0.00 H ATOM 1931 HD2 PHE A 137 -0.186 10.628 -6.510 1.00 0.00 H ATOM 1932 HE2 PHE A 137 -0.905 12.703 -7.648 1.00 0.00 H ATOM 1933 HZ PHE A 137 -2.931 12.681 -9.098 1.00 0.00 H ATOM 1934 HE1 PHE A 137 -4.206 10.564 -9.441 1.00 0.00 H ATOM 1935 HD1 PHE A 137 -3.499 8.508 -8.253 1.00 0.00 H ATOM 1936 H PHE A 137 1.007 8.363 -8.668 1.00 0.00 H ATOM 1937 N LYS A 138 -1.810 5.623 -8.386 1.00 23.11 N ATOM 1938 CA LYS A 138 -2.539 4.901 -9.416 1.00 24.23 C ATOM 1939 C LYS A 138 -4.004 4.789 -9.037 1.00 24.26 C ATOM 1940 O LYS A 138 -4.346 4.520 -7.882 1.00 23.66 O ATOM 1941 CB LYS A 138 -1.952 3.502 -9.615 1.00 25.69 C ATOM 1942 CG LYS A 138 -0.447 3.494 -9.877 1.00 27.10 C ATOM 1943 CD LYS A 138 0.089 2.083 -9.943 1.00 30.43 C ATOM 1944 CE LYS A 138 1.594 2.077 -10.162 1.00 31.41 C ATOM 1945 NZ LYS A 138 2.168 0.692 -9.998 1.00 31.94 N ATOM 1946 HA LYS A 138 -2.448 5.455 -10.350 1.00 0.00 H ATOM 1947 HB2 LYS A 138 -2.147 2.916 -8.717 1.00 0.00 H ATOM 1948 HB3 LYS A 138 -2.451 3.038 -10.465 1.00 0.00 H ATOM 1949 HG2 LYS A 138 -0.248 3.995 -10.825 1.00 0.00 H ATOM 1950 HG3 LYS A 138 0.057 4.029 -9.072 1.00 0.00 H ATOM 1951 HD2 LYS A 138 -0.137 1.572 -9.007 1.00 0.00 H ATOM 1952 HD3 LYS A 138 -0.393 1.557 -10.767 1.00 0.00 H ATOM 1953 HE2 LYS A 138 2.061 2.743 -9.436 1.00 0.00 H ATOM 1954 HE3 LYS A 138 1.808 2.433 -11.170 1.00 0.00 H ATOM 1955 HZ1 LYS A 138 1.972 0.349 -9.036 1.00 0.00 H ATOM 1956 HZ2 LYS A 138 1.730 0.052 -10.691 1.00 0.00 H ATOM 1957 HZ3 LYS A 138 3.196 0.723 -10.154 1.00 0.00 H ATOM 1958 H LYS A 138 -1.885 5.290 -7.404 1.00 0.00 H ATOM 1959 N GLY A 139 -4.860 4.987 -10.033 1.00 24.46 N ATOM 1960 CA GLY A 139 -6.299 4.906 -9.866 1.00 25.12 C ATOM 1961 C GLY A 139 -6.777 3.597 -9.264 1.00 25.80 C ATOM 1962 O GLY A 139 -6.345 2.500 -9.667 1.00 25.90 O ATOM 1963 HA3 GLY A 139 -6.765 5.024 -10.844 1.00 0.00 H ATOM 1964 HA2 GLY A 139 -6.615 5.720 -9.213 1.00 0.00 H ATOM 1965 H GLY A 139 -4.482 5.210 -10.976 1.00 0.00 H ATOM 1966 N GLU A 140 -7.676 3.728 -8.292 1.00 25.82 N ATOM 1967 CA GLU A 140 -8.338 2.599 -7.624 1.00 27.00 C ATOM 1968 C GLU A 140 -8.777 1.487 -8.587 1.00 28.05 C ATOM 1969 O GLU A 140 -8.565 0.298 -8.327 1.00 29.00 O ATOM 1970 CB GLU A 140 -9.546 3.131 -6.849 1.00 26.51 C ATOM 1971 CG GLU A 140 -10.197 2.145 -5.888 1.00 28.40 C ATOM 1972 CD GLU A 140 -11.489 2.673 -5.267 1.00 29.13 C ATOM 1973 OE1 GLU A 140 -12.257 3.396 -5.945 1.00 32.69 O ATOM 1974 OE2 GLU A 140 -11.755 2.343 -4.096 1.00 31.78 O ATOM 1975 HA GLU A 140 -7.610 2.143 -6.953 1.00 0.00 H ATOM 1976 OXT GLU A 140 -9.341 1.744 -9.655 1.00 28.32 O ATOM 1977 HB2 GLU A 140 -9.220 3.997 -6.272 1.00 0.00 H ATOM 1978 HB3 GLU A 140 -10.299 3.441 -7.573 1.00 0.00 H ATOM 1979 HG2 GLU A 140 -10.423 1.228 -6.433 1.00 0.00 H ATOM 1980 HG3 GLU A 140 -9.492 1.925 -5.087 1.00 0.00 H ATOM 1981 H GLU A 140 -7.926 4.690 -7.986 1.00 0.00 H TER 1982 GLU A 140 HETATM 1983 O HOH 1 -0.586 10.264 -10.774 1.00 22.38 O HETATM 1984 O HOH 2 -11.068 16.531 5.940 1.00 46.82 O HETATM 1985 O HOH 3 -5.978 8.962 13.747 1.00 9.76 O HETATM 1986 O HOH 4 -7.707 7.679 8.730 1.00 7.49 O HETATM 1987 O HOH 5 -5.614 16.658 19.702 1.00 13.10 O HETATM 1988 O HOH 6 0.082 0.031 4.165 1.00 27.67 O HETATM 1989 O HOH 7 0.037 21.281 16.693 1.00 10.56 O HETATM 1990 O HOH 8 -6.436 6.534 21.621 1.00 13.01 O HETATM 1991 O HOH 9 2.268 2.737 14.370 1.00 23.19 O HETATM 1992 O HOH 10 6.596 1.638 18.533 1.00 15.49 O HETATM 1993 O HOH 11 -0.139 9.560 20.938 1.00 9.13 O HETATM 1994 O HOH 12 -7.319 18.570 -8.287 1.00 17.44 O HETATM 1995 O HOH 13 -6.407 12.208 -9.734 1.00 13.84 O HETATM 1996 O HOH 14 6.853 -0.584 16.455 1.00 9.22 O HETATM 1997 O HOH 15 0.406 25.511 18.047 1.00 11.22 O HETATM 1998 O HOH 16 8.682 18.931 -7.502 1.00 25.45 O HETATM 1999 O HOH 17 3.417 32.768 9.920 1.00 7.73 O HETATM 2000 O HOH 18 8.804 22.915 7.909 1.00 19.95 O HETATM 2001 O HOH 19 -8.236 19.410 3.649 1.00 15.91 O HETATM 2002 O HOH 20 -2.609 14.329 -12.054 1.00 19.79 O HETATM 2003 O HOH 21 -0.034 10.511 18.245 1.00 7.73 O HETATM 2004 O HOH 22 -0.378 29.905 6.691 1.00 13.11 O HETATM 2005 O HOH 23 2.305 20.710 -4.991 1.00 12.46 O HETATM 2006 O HOH 24 -7.511 6.488 14.090 1.00 11.27 O HETATM 2007 O HOH 25 -1.655 22.693 0.346 1.00 19.09 O HETATM 2008 O HOH 26 0.407 -1.359 -9.080 1.00 26.34 O HETATM 2009 O HOH 27 -1.053 20.409 14.310 1.00 14.16 O HETATM 2010 O HOH 28 -6.397 5.079 4.112 1.00 11.00 O HETATM 2011 O HOH 29 -6.498 12.786 -13.509 1.00 23.07 O HETATM 2012 O HOH 30 -6.589 9.195 -9.943 1.00 15.19 O HETATM 2013 O HOH 31 -11.804 6.467 -6.733 1.00 10.95 O HETATM 2014 O HOH 32 2.044 25.470 1.966 1.00 20.26 O HETATM 2015 O HOH 33 15.157 15.867 -5.475 1.00 26.61 O HETATM 2016 O HOH 34 10.286 11.942 2.858 1.00 21.91 O HETATM 2017 O HOH 35 -4.837 8.532 -11.675 1.00 27.60 O HETATM 2018 O HOH 36 -3.806 -0.347 7.701 1.00 18.67 O HETATM 2019 O HOH 37 7.459 16.842 -9.443 1.00 23.27 O HETATM 2020 O HOH 38 3.894 15.896 21.857 1.00 10.59 O HETATM 2021 O HOH 39 -8.081 16.690 3.055 1.00 13.79 O HETATM 2022 O HOH 40 -5.800 5.654 18.877 1.00 16.38 O HETATM 2023 O HOH 41 6.073 -0.697 3.329 1.00 18.02 O HETATM 2024 O HOH 42 -10.538 17.108 8.566 1.00 24.73 O HETATM 2025 O HOH 43 1.763 23.333 17.067 1.00 13.27 O HETATM 2026 O HOH 44 11.182 11.978 0.595 1.00 36.62 O HETATM 2027 O HOH 45 -7.105 18.074 17.881 1.00 15.71 O HETATM 2028 O HOH 46 -2.941 10.333 -12.247 1.00 17.04 O HETATM 2029 O HOH 47 -4.062 18.446 21.360 1.00 22.25 O HETATM 2030 O HOH 48 7.858 26.209 1.520 1.00 32.51 O HETATM 2031 O HOH 49 2.705 21.373 19.220 1.00 29.84 O HETATM 2032 O HOH 50 -2.307 14.441 -14.768 1.00 27.93 O HETATM 2033 O HOH 51 3.928 -0.410 2.007 1.00 17.72 O HETATM 2034 O HOH 52 0.417 16.801 22.145 1.00 10.60 O HETATM 2035 O HOH 53 13.198 18.472 11.974 1.00 22.10 O HETATM 2036 O HOH 54 4.228 -0.082 16.263 1.00 22.31 O HETATM 2037 O HOH 55 -0.412 12.935 -11.265 1.00 14.28 O HETATM 2038 O HOH 56 -9.590 16.976 0.759 1.00 18.15 O HETATM 2039 O HOH 57 -11.908 18.916 4.321 1.00 33.54 O HETATM 2040 O HOH 58 -9.995 7.291 9.933 1.00 14.27 O HETATM 2041 O HOH 59 3.614 12.530 24.303 1.00 19.13 O HETATM 2042 O HOH 60 -9.778 14.971 4.305 1.00 24.98 O HETATM 2043 O HOH 61 -8.500 17.619 -4.210 1.00 21.00 O HETATM 2044 O HOH 62 -4.523 12.451 -11.991 1.00 18.64 O HETATM 2045 O HOH 63 -6.411 8.079 17.611 1.00 14.60 O HETATM 2046 O HOH 64 8.746 30.793 11.614 1.00 25.66 O HETATM 2047 O HOH 65 -9.993 6.525 -8.822 1.00 13.77 O HETATM 2048 O HOH 66 8.877 26.536 4.431 1.00 26.80 O HETATM 2049 O HOH 67 -2.769 -0.277 -1.259 1.00 28.32 O HETATM 2050 O HOH 68 -9.119 -0.907 3.795 1.00 19.88 O HETATM 2051 O HOH 69 -5.277 14.135 -16.697 1.00 38.75 O HETATM 2052 O HOH 70 -15.327 16.561 6.705 1.00 42.93 O HETATM 2053 O HOH 71 -1.022 20.647 -2.833 1.00 14.38 O HETATM 2054 O HOH 72 8.772 24.296 -4.997 1.00 20.77 O HETATM 2055 O HOH 73 12.025 6.794 18.428 1.00 19.85 O HETATM 2056 O HOH 74 2.220 25.853 20.159 1.00 13.34 O HETATM 2057 O HOH 75 11.174 22.563 16.088 1.00 16.24 O HETATM 2058 O HOH 76 -6.435 -1.541 -0.163 1.00 29.42 O HETATM 2059 O HOH 77 -5.420 0.883 -11.628 1.00 32.04 O HETATM 2060 O HOH 78 4.524 3.614 -8.767 1.00 42.17 O HETATM 2061 O HOH 79 -11.611 18.380 11.308 1.00 14.64 O HETATM 2062 O HOH 80 12.774 14.093 -6.891 1.00 30.54 O HETATM 2063 O HOH 81 -2.521 16.059 24.168 1.00 34.83 O HETATM 2064 O HOH 82 -2.072 12.350 -16.409 1.00 39.87 O HETATM 2065 O HOH 83 -11.895 17.702 1.908 1.00 21.82 O HETATM 2066 O HOH 84 -13.634 16.743 11.079 1.00 29.60 O HETATM 2067 O HOH 85 -0.650 14.836 -9.384 1.00 14.49 O HETATM 2068 O HOH 86 16.517 14.266 10.249 1.00 17.14 O HETATM 2069 O HOH 87 -7.119 21.103 18.380 1.00 20.94 O HETATM 2070 O HOH 88 -5.716 12.677 22.040 1.00 27.08 O HETATM 2071 O HOH 89 -6.588 25.469 17.944 1.00 20.76 O HETATM 2072 O HOH 90 -10.238 8.282 6.020 1.00 23.27 O HETATM 2073 O HOH 91 -12.778 3.397 -9.151 1.00 14.58 O HETATM 2074 O HOH 92 -8.598 14.765 -7.634 1.00 18.04 O HETATM 2075 O HOH 93 -7.988 13.950 -2.830 1.00 13.89 O HETATM 2076 O HOH 94 -4.632 22.594 1.156 1.00 21.61 O HETATM 2077 O HOH 95 7.922 1.500 3.601 1.00 31.04 O HETATM 2078 O HOH 96 -6.620 15.311 21.608 1.00 20.60 O HETATM 2079 O HOH 97 0.477 29.858 12.937 1.00 24.83 O HETATM 2080 O HOH 98 -4.135 5.661 -12.567 1.00 24.78 O HETATM 2081 O HOH 99 2.947 28.413 4.990 1.00 25.61 O HETATM 2082 O HOH 100 8.282 25.125 -2.372 1.00 39.48 O HETATM 2083 O HOH 101 0.003 15.669 -14.034 1.00 24.74 O HETATM 2084 O HOH 102 1.540 13.365 -13.095 1.00 18.06 O HETATM 2085 O HOH 103 12.520 1.542 8.487 1.00 32.61 O HETATM 2086 O HOH 104 16.305 11.671 16.012 1.00 13.07 O HETATM 2087 O HOH 105 12.019 26.679 13.026 1.00 26.58 O HETATM 2088 O HOH 106 -4.896 0.761 -8.211 1.00 28.76 O HETATM 2089 O HOH 107 -9.278 26.159 16.925 1.00 31.90 O HETATM 2090 O HOH 108 -10.510 7.710 -11.145 1.00 16.13 O HETATM 2091 O HOH 109 -4.808 20.860 -2.559 1.00 18.64 O HETATM 2092 O HOH 110 -4.968 15.824 23.488 1.00 22.82 O HETATM 2093 O HOH 111 2.343 -2.826 -3.507 1.00 42.03 O HETATM 2094 O HOH 112 7.776 16.061 -13.325 1.00 39.18 O HETATM 2095 O HOH 113 13.444 4.196 -2.410 1.00 22.36 O HETATM 2096 O HOH 114 0.201 -2.623 -1.961 1.00 27.18 O HETATM 2097 O HOH 115 6.332 0.337 -4.204 1.00 22.28 O HETATM 2098 O HOH 116 -1.768 12.423 29.878 1.00 37.49 O HETATM 2099 O HOH 117 -12.265 26.962 14.010 1.00 24.25 O HETATM 2100 O HOH 118 3.515 17.468 -15.019 1.00 31.13 O HETATM 2101 O HOH 119 14.358 17.866 -4.182 1.00 31.45 O HETATM 2102 O HOH 120 -4.247 6.076 27.281 1.00 36.79 O HETATM 2103 O HOH 121 -9.276 0.630 -12.124 1.00 40.99 O HETATM 2104 O HOH 122 -14.441 22.879 5.868 1.00 23.93 O HETATM 2105 O HOH 123 -10.130 4.446 -10.529 1.00 28.29 O HETATM 2106 O HOH 124 -2.620 27.964 10.053 1.00 21.58 O HETATM 2107 O HOH 125 -7.693 8.973 22.190 1.00 20.27 O HETATM 2108 O HOH 126 11.464 23.341 -3.192 1.00 37.45 O HETATM 2109 O HOH 127 15.474 8.459 17.431 1.00 26.91 O HETATM 2110 O HOH 128 0.283 6.453 -12.175 1.00 36.90 O HETATM 2111 O HOH 129 7.591 32.787 11.208 1.00 27.97 O HETATM 2112 O HOH 130 11.452 20.123 17.129 1.00 27.91 O HETATM 2113 O HOH 131 -7.351 25.392 4.720 1.00 32.36 O HETATM 2114 O HOH 132 5.763 14.131 20.251 1.00 26.31 O HETATM 2115 O HOH 133 -8.474 3.849 -13.289 1.00 27.95 O HETATM 2116 O HOH 134 0.226 20.174 19.680 1.00 23.73 O HETATM 2117 O HOH 135 0.975 15.260 25.781 1.00 43.98 O HETATM 2118 O HOH 136 2.942 6.956 27.033 1.00 21.38 O HETATM 2119 O HOH 137 5.795 12.457 22.419 1.00 22.78 O HETATM 2120 O HOH 138 5.612 29.367 4.754 1.00 29.32 O HETATM 2121 O HOH 139 -1.541 22.019 -5.399 1.00 24.40 O HETATM 2122 O HOH 140 13.144 3.981 10.100 1.00 30.85 O HETATM 2123 O HOH 141 12.835 24.628 17.702 1.00 38.04 O HETATM 2124 O HOH 142 13.329 -3.531 2.918 1.00 32.58 O HETATM 2125 O HOH 143 0.992 5.220 27.692 1.00 35.22 O HETATM 2126 O HOH 144 -8.135 11.171 20.555 1.00 27.47 O HETATM 2127 O HOH 145 3.703 15.195 24.341 1.00 27.33 O HETATM 2128 O HOH 146 5.735 5.965 26.870 1.00 27.27 O HETATM 2129 O HOH 147 3.518 9.842 27.930 1.00 35.63 O HETATM 2130 O HOH 148 6.629 8.602 27.412 1.00 29.82 O HETATM 2131 O HOH 149 5.334 16.555 25.733 1.00 38.29 O HETATM 2132 O HOH 150 8.307 10.077 26.259 1.00 29.84 O HETATM 2133 O HOH 151 -10.323 2.096 9.641 1.00 25.80 O HETATM 2134 O HOH 152 10.445 7.350 20.565 1.00 28.02 O HETATM 2135 O HOH 153 8.019 15.382 21.597 1.00 28.54 O HETATM 2136 O HOH 154 15.732 15.577 19.332 1.00 37.62 O HETATM 2137 O HOH 155 -5.677 1.311 -4.104 1.00 28.46 O HETATM 2138 O HOH 156 5.304 0.927 -8.893 1.00 30.74 O HETATM 2139 O HOH 157 4.727 2.200 -11.134 1.00 50.32 O HETATM 2140 O HOH 158 6.346 22.063 16.604 1.00 38.31 O HETATM 2141 O HOH 159 -10.183 6.997 12.592 1.00 42.79 O HETATM 2142 O HOH 160 -12.410 14.988 14.296 1.00 41.60 O HETATM 2143 O HOH 161 -8.376 17.563 -1.529 1.00 39.43 O HETATM 2144 O HOH 162 1.407 22.059 -8.369 1.00 28.31 O HETATM 2145 O HOH 163 7.605 18.419 22.571 1.00 41.40 O HETATM 2146 O HOH 164 -0.175 -1.538 1.048 1.00 34.24 O HETATM 2147 O HOH 165 -2.198 8.295 29.277 1.00 36.69 O HETATM 2148 O HOH 166 -0.267 23.907 2.621 1.00 31.54 O HETATM 2149 O HOH 167 4.177 -3.106 6.107 1.00 31.92 O HETATM 2150 O HOH 168 2.540 -1.021 4.763 1.00 34.29 O HETATM 2151 O HOH 169 16.437 17.511 17.563 1.00 37.98 O HETATM 2152 O HOH 170 -11.474 13.415 12.431 1.00 42.52 O HETATM 2153 O HOH 171 -11.655 15.169 9.903 1.00 42.49 O HETATM 2154 O HOH 172 -5.572 -0.617 -5.989 1.00 32.09 O HETATM 2155 O HOH 173 -4.198 -1.827 -3.966 1.00 42.77 O HETATM 2156 CAA UNN A 174 6.308 4.302 15.462 1.00 -0.07 C HETATM 2157 CAQ UNN A 174 5.353 4.149 14.262 1.00 -0.05 C HETATM 2158 CBQ UNN A 174 5.944 3.275 13.138 1.00 -0.01 C HETATM 2159 CAX UNN A 174 6.154 1.810 13.621 1.00 -0.05 C HETATM 2160 CAS UNN A 174 6.689 0.912 12.491 1.00 -0.05 C HETATM 2161 CAU UNN A 174 5.780 0.953 11.255 1.00 -0.05 C HETATM 2162 CBB UNN A 174 5.587 2.399 10.757 1.00 -0.02 C HETATM 2163 CBT UNN A 174 5.060 3.329 11.874 1.00 0.15 C HETATM 2164 OAI UNN A 174 3.733 2.882 12.196 1.00 -0.38 O HETATM 2165 H15 UNN A 174 3.373 3.431 12.882 1.00 0.21 H HETATM 2166 CBJ UNN A 174 5.032 4.806 11.371 1.00 0.27 C HETATM 2167 OAG UNN A 174 6.072 5.417 11.101 1.00 -0.29 O HETATM 2168 CBI UNN A 174 3.682 5.545 11.321 1.00 0.28 C HETATM 2169 OAF UNN A 174 3.322 6.183 12.317 1.00 -0.36 O HETATM 2170 N UNN A 174 2.906 5.495 10.222 1.00 -0.24 N HETATM 2171 CBA UNN A 174 3.391 4.710 9.039 1.00 0.04 C HETATM 2172 CAT UNN A 174 3.258 5.574 7.790 1.00 -0.03 C HETATM 2173 CAR UNN A 174 1.819 6.109 7.672 1.00 -0.05 C HETATM 2174 CB UNN A 174 1.428 6.969 8.886 1.00 -0.01 C HETATM 2175 CA UNN A 174 1.569 6.160 10.188 1.00 0.15 C HETATM 2176 C UNN A 174 0.437 5.109 10.263 1.00 0.26 C HETATM 2177 O UNN A 174 -0.751 5.437 10.104 1.00 -0.37 O HETATM 2178 OBF UNN A 174 0.787 3.810 10.532 1.00 -0.26 O HETATM 2179 CBP UNN A 174 -0.263 2.790 10.576 1.00 0.12 C HETATM 2180 CAZ UNN A 174 -0.483 2.507 12.041 1.00 -0.00 C HETATM 2181 CAV UNN A 174 -1.788 1.749 12.251 1.00 -0.02 C HETATM 2182 CBK UNN A 174 -3.064 2.627 12.200 1.00 -0.06 C HETATM 2183 CAO UNN A 174 -3.383 3.522 13.234 1.00 -0.04 C HETATM 2184 CBO UNN A 174 -4.546 4.305 13.195 1.00 0.11 C HETATM 2185 CBN UNN A 174 -5.405 4.160 12.093 1.00 0.11 C HETATM 2186 CAN UNN A 174 -5.107 3.253 11.049 1.00 -0.05 C HETATM 2187 CAM UNN A 174 -3.925 2.491 11.114 1.00 -0.08 C HETATM 2188 H31 UNN A 174 -3.685 1.797 10.317 1.00 0.04 H HETATM 2189 H32 UNN A 174 -5.782 3.146 10.207 1.00 0.05 H HETATM 2190 OBC UNN A 174 -6.535 4.926 12.065 1.00 -0.33 O HETATM 2191 CAB UNN A 174 -7.643 4.432 11.250 1.00 0.06 C HETATM 2192 H33 UNN A 174 -8.486 5.136 11.312 1.00 0.06 H HETATM 2193 H34 UNN A 174 -7.960 3.446 11.621 1.00 0.06 H HETATM 2194 H35 UNN A 174 -7.317 4.343 10.203 1.00 0.06 H HETATM 2195 OBD UNN A 174 -4.910 5.216 14.182 1.00 -0.33 O HETATM 2196 CAC UNN A 174 -4.187 5.212 15.440 1.00 0.06 C HETATM 2197 H36 UNN A 174 -4.599 5.988 16.102 1.00 0.06 H HETATM 2198 H37 UNN A 174 -3.123 5.418 15.252 1.00 0.06 H HETATM 2199 H38 UNN A 174 -4.291 4.228 15.920 1.00 0.06 H HETATM 2200 H30 UNN A 174 -2.714 3.610 14.083 1.00 0.04 H HETATM 2201 H28 UNN A 174 -1.746 1.262 13.237 1.00 0.04 H HETATM 2202 H29 UNN A 174 -1.869 0.982 11.466 1.00 0.04 H HETATM 2203 H26 UNN A 174 -0.525 3.459 12.591 1.00 0.03 H HETATM 2204 H27 UNN A 174 0.352 1.901 12.421 1.00 0.03 H HETATM 2205 CBM UNN A 174 0.279 1.581 9.795 1.00 -0.02 C HETATM 2206 CAP UNN A 174 1.460 0.972 10.217 1.00 -0.03 C HETATM 2207 CBL UNN A 174 1.984 -0.116 9.526 1.00 0.09 C HETATM 2208 CAK UNN A 174 1.308 -0.592 8.400 1.00 -0.04 C HETATM 2209 CAJ UNN A 174 0.119 0.005 7.979 1.00 -0.08 C HETATM 2210 CAL UNN A 174 -0.406 1.090 8.681 1.00 -0.07 C HETATM 2211 H40 UNN A 174 -1.337 1.548 8.365 1.00 0.05 H HETATM 2212 H41 UNN A 174 -0.398 -0.375 7.105 1.00 0.06 H HETATM 2213 H42 UNN A 174 1.711 -1.433 7.848 1.00 0.05 H HETATM 2214 OBE UNN A 174 3.144 -0.658 10.001 1.00 -0.31 O HETATM 2215 CAW UNN A 174 3.699 -1.745 9.213 1.00 0.12 C HETATM 2216 CBG UNN A 174 3.062 -3.117 9.409 1.00 0.07 C HETATM 2217 OAH UNN A 174 3.459 -4.027 8.654 1.00 -0.57 O HETATM 2218 OAD UNN A 174 2.165 -3.261 10.278 1.00 -0.57 O HETATM 2219 H43 UNN A 174 4.766 -1.832 9.467 1.00 0.08 H HETATM 2220 H44 UNN A 174 3.595 -1.476 8.151 1.00 0.08 H HETATM 2221 H39 UNN A 174 1.975 1.350 11.092 1.00 0.05 H HETATM 2222 H25 UNN A 174 -1.195 3.148 10.115 1.00 0.08 H HETATM 2223 H24 UNN A 174 1.485 6.840 11.049 1.00 0.08 H HETATM 2224 H22 UNN A 174 0.384 7.298 8.775 1.00 0.03 H HETATM 2225 H23 UNN A 174 2.087 7.849 8.934 1.00 0.03 H HETATM 2226 H20 UNN A 174 1.127 5.257 7.602 1.00 0.03 H HETATM 2227 H21 UNN A 174 1.740 6.721 6.762 1.00 0.03 H HETATM 2228 H18 UNN A 174 3.496 4.970 6.902 1.00 0.03 H HETATM 2229 H19 UNN A 174 3.957 6.420 7.856 1.00 0.03 H HETATM 2230 H16 UNN A 174 2.784 3.800 8.925 1.00 0.05 H HETATM 2231 H17 UNN A 174 4.445 4.432 9.186 1.00 0.05 H HETATM 2232 H13 UNN A 174 4.865 2.396 9.927 1.00 0.03 H HETATM 2233 H14 UNN A 174 6.554 2.784 10.400 1.00 0.03 H HETATM 2234 H11 UNN A 174 4.799 0.529 11.516 1.00 0.03 H HETATM 2235 H12 UNN A 174 6.237 0.355 10.453 1.00 0.03 H HETATM 2236 H9 UNN A 174 6.747 -0.124 12.856 1.00 0.03 H HETATM 2237 H10 UNN A 174 7.694 1.258 12.206 1.00 0.03 H HETATM 2238 H7 UNN A 174 5.192 1.408 13.971 1.00 0.03 H HETATM 2239 H8 UNN A 174 6.876 1.808 14.451 1.00 0.03 H HETATM 2240 H6 UNN A 174 6.930 3.686 12.875 1.00 0.03 H HETATM 2241 H4 UNN A 174 5.137 5.148 13.854 1.00 0.03 H HETATM 2242 H5 UNN A 174 4.419 3.687 14.613 1.00 0.03 H HETATM 2243 H1 UNN A 174 5.835 4.933 16.229 1.00 0.02 H HETATM 2244 H2 UNN A 174 7.245 4.772 15.128 1.00 0.02 H HETATM 2245 H3 UNN A 174 6.526 3.311 15.886 1.00 0.02 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 2156 2157 2243 2244 2245 CONECT 2157 2156 2158 2241 2242 CONECT 2158 2157 2159 2163 2240 CONECT 2159 2158 2160 2238 2239 CONECT 2160 2159 2161 2236 2237 CONECT 2161 2160 2162 2234 2235 CONECT 2162 2161 2163 2232 2233 CONECT 2163 2158 2162 2164 2166 CONECT 2164 2163 2165 CONECT 2165 2164 CONECT 2166 2163 2167 2168 CONECT 2167 2166 CONECT 2168 2166 2169 2170 CONECT 2169 2168 CONECT 2170 2168 2171 2175 CONECT 2171 2170 2172 2230 2231 CONECT 2172 2171 2173 2228 2229 CONECT 2173 2172 2174 2226 2227 CONECT 2174 2173 2175 2224 2225 CONECT 2175 2170 2174 2176 2223 CONECT 2176 2175 2177 2178 CONECT 2177 2176 CONECT 2178 2176 2179 CONECT 2179 2178 2180 2205 2222 CONECT 2180 2179 2181 2203 2204 CONECT 2181 2180 2182 2201 2202 CONECT 2182 2181 2183 2187 CONECT 2183 2182 2184 2200 CONECT 2184 2183 2185 2195 CONECT 2185 2184 2186 2190 CONECT 2186 2185 2187 2189 CONECT 2187 2182 2186 2188 CONECT 2188 2187 CONECT 2189 2186 CONECT 2190 2185 2191 CONECT 2191 2190 2192 2193 2194 CONECT 2192 2191 CONECT 2193 2191 CONECT 2194 2191 CONECT 2195 2184 2196 CONECT 2196 2195 2197 2198 2199 CONECT 2197 2196 CONECT 2198 2196 CONECT 2199 2196 CONECT 2200 2183 CONECT 2201 2181 CONECT 2202 2181 CONECT 2203 2180 CONECT 2204 2180 CONECT 2205 2179 2206 2210 CONECT 2206 2205 2207 2221 CONECT 2207 2206 2208 2214 CONECT 2208 2207 2209 2213 CONECT 2209 2208 2210 2212 CONECT 2210 2205 2209 2211 CONECT 2211 2210 CONECT 2212 2209 CONECT 2213 2208 CONECT 2214 2207 2215 CONECT 2215 2214 2216 2219 2220 CONECT 2216 2215 2217 2218 CONECT 2217 2216 CONECT 2218 2216 CONECT 2219 2215 CONECT 2220 2215 CONECT 2221 2206 CONECT 2222 2179 CONECT 2223 2175 CONECT 2224 2174 CONECT 2225 2174 CONECT 2226 2173 CONECT 2227 2173 CONECT 2228 2172 CONECT 2229 2172 CONECT 2230 2171 CONECT 2231 2171 CONECT 2232 2162 CONECT 2233 2162 CONECT 2234 2161 CONECT 2235 2161 CONECT 2236 2160 CONECT 2237 2160 CONECT 2238 2159 CONECT 2239 2159 CONECT 2240 2158 CONECT 2241 2157 CONECT 2242 2157 CONECT 2243 2156 CONECT 2244 2156 CONECT 2245 2156 MASTER 0 0 0 0 0 0 0 0 2244 1 94 10 END
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Related entries of code: 4drp
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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128aa, >4DRN_1|Chain... at 96%
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128aa, >4DRO_1|Chain... at 96%
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4jfj
RCSB PDB
PDBbind
128aa, >4JFJ_1|Chain... at 96%
4jfk
RCSB PDB
PDBbind
128aa, >4JFK_1|Chain... at 96%
4jfl
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128aa, >4JFL_1|Chain... at 96%
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PDBbind
128aa, >4JFM_1|Chain... at 96%
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RCSB PDB
PDBbind
128aa, >4TW6_1|Chain... at 96%
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128aa, >4TW7_1|Chain... at 96%
4w9o
RCSB PDB
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128aa, >4W9O_1|Chains... at 96%
4w9p
RCSB PDB
PDBbind
128aa, >4W9P_1|Chains... at 96%
4w9q
RCSB PDB
PDBbind
128aa, >4W9Q_1|Chain... at 96%
5dit
RCSB PDB
PDBbind
128aa, >5DIT_1|Chain... at 96%
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RCSB PDB
PDBbind
128aa, >5DIU_1|Chain... at 96%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4dro
RCSB PDB
PDBbind
0MD
Entry Information
PDB ID
4drp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peptidyl-prolyl cis-trans isomerase FKBP5
Ligand Name
0MD
EC.Number
E.C.5.2.1.8
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=3.9uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Med.Chem. Vol. 55: pp. 4114-4122
Ligand Properties
Formula
C
3
5
H
4
5
NO
1
0
Molecular Weight
639.732
Exact Mass
639.304
No. of atoms
91
No. of bonds
94
Polar Surface Area
148.9
LOGP Value
6.93 (
Computed with XLOGP3
)
4.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
CC[C@H]1CCCC[C@]1(O)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](c1cccc(c1)OCC(=O)O)CCc1ccc(c(c1)OC)OC
InChI String
InChI=1S/C35H45NO10/c1-4-25-11-5-7-18-35(25,42)32(39)33(40)36-19-8-6-13-27(36)34(41)46-28(24-10-9-12-26(21-24)45-22-31(37)38)16-14-23-15-17-29(43-2)30(20-23)44-3/h9-10,12,15,17,20-21,25,27-28,42H,4-8,11,13-14,16,18-19,22H2,1-3H3,(H,37,38)/t25-,27-,28+,35+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q13451
Entrez Gene ID
NCBI Entrez Gene ID:
2289
ASD
Information of known allosteric effects of PDB entries
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