Browse entries in the PDBbind-CN Database
HEADER 2W9R_COMPLEX COMPND 2W9R_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 97 GLN LEU ALA GLU GLU LYS VAL ARG ASP ALA LEU LYS PRO SEQRES 2 A 97 PRO SER MET TYR LYS VAL ILE LEU VAL ASN ASP ASP TYR SEQRES 3 A 97 THR PRO MET GLU PHE VAL ILE ASP VAL LEU GLN LYS PHE SEQRES 4 A 97 PHE SER TYR ASP VAL GLU ARG ALA THR GLN LEU MET LEU SEQRES 5 A 97 ALA VAL HIS TYR GLN GLY LYS ALA ILE CYS GLY VAL PHE SEQRES 6 A 97 THR ALA GLU VAL ALA GLU THR LYS VAL ALA MET VAL ASN SEQRES 7 A 97 LYS TYR ALA ARG GLU ASN GLU HIS PRO LEU LEU CYS THR SEQRES 8 A 97 LEU GLU LYS ALA GLY ALA HET LEU A 166 190 ATOM 1 N GLN A 12 68.047 -3.105 -20.809 1.00 38.50 N ATOM 2 CA GLN A 12 68.509 -4.277 -21.608 1.00 38.47 C ATOM 3 C GLN A 12 67.342 -5.239 -21.840 1.00 38.33 C ATOM 4 O GLN A 12 66.196 -4.909 -21.522 1.00 38.09 O ATOM 5 CB GLN A 12 69.684 -4.979 -20.914 1.00 38.51 C ATOM 6 CG GLN A 12 70.910 -4.088 -20.714 1.00 38.92 C ATOM 7 CD GLN A 12 72.201 -4.876 -20.532 1.00 39.35 C ATOM 8 OE1 GLN A 12 72.653 -5.581 -21.441 1.00 39.25 O ATOM 9 NE2 GLN A 12 72.811 -4.742 -19.360 1.00 39.44 N ATOM 10 HA GLN A 12 68.865 -3.929 -22.578 1.00 0.00 H ATOM 11 HB2 GLN A 12 69.348 -5.325 -19.936 1.00 0.00 H ATOM 12 HB3 GLN A 12 69.978 -5.836 -21.520 1.00 0.00 H ATOM 13 HG2 GLN A 12 71.017 -3.444 -21.587 1.00 0.00 H ATOM 14 HG3 GLN A 12 70.751 -3.473 -19.828 1.00 0.00 H ATOM 15 HE22 GLN A 12 72.394 -4.138 -18.623 1.00 0.00 H ATOM 16 HE21 GLN A 12 73.705 -5.241 -19.179 1.00 0.00 H ATOM 17 HN3 GLN A 12 67.684 -3.434 -19.891 1.00 0.00 H ATOM 18 HN2 GLN A 12 67.291 -2.611 -21.325 1.00 0.00 H ATOM 19 HN1 GLN A 12 68.845 -2.456 -20.655 1.00 0.00 H ATOM 20 N LEU A 13 67.626 -6.413 -22.405 1.00 38.18 N ATOM 21 CA LEU A 13 66.581 -7.409 -22.675 1.00 38.05 C ATOM 22 C LEU A 13 65.824 -7.814 -21.405 1.00 37.88 C ATOM 23 O LEU A 13 64.589 -7.863 -21.395 1.00 37.60 O ATOM 24 CB LEU A 13 67.167 -8.648 -23.366 1.00 38.00 C ATOM 25 CG LEU A 13 67.828 -8.502 -24.742 1.00 38.23 C ATOM 26 CD1 LEU A 13 68.453 -9.822 -25.155 1.00 38.08 C ATOM 27 CD2 LEU A 13 66.844 -8.019 -25.806 1.00 38.38 C ATOM 28 HA LEU A 13 65.864 -6.939 -23.348 1.00 0.00 H ATOM 29 HB2 LEU A 13 67.920 -9.060 -22.694 1.00 0.00 H ATOM 30 HB3 LEU A 13 66.353 -9.363 -23.479 1.00 0.00 H ATOM 31 HG LEU A 13 68.605 -7.742 -24.658 1.00 0.00 H ATOM 32 HD21 LEU A 13 66.028 -8.736 -25.896 1.00 0.00 H ATOM 33 HD22 LEU A 13 66.446 -7.047 -25.516 1.00 0.00 H ATOM 34 HD23 LEU A 13 67.359 -7.931 -26.763 1.00 0.00 H ATOM 35 HD11 LEU A 13 69.206 -10.111 -24.422 1.00 0.00 H ATOM 36 HD12 LEU A 13 67.680 -10.589 -25.206 1.00 0.00 H ATOM 37 HD13 LEU A 13 68.921 -9.711 -26.133 1.00 0.00 H ATOM 38 H LEU A 13 68.611 -6.628 -22.661 1.00 0.00 H ATOM 39 N ALA A 14 66.577 -8.089 -20.340 1.00 37.84 N ATOM 40 CA ALA A 14 66.014 -8.455 -19.037 1.00 37.73 C ATOM 41 C ALA A 14 65.192 -7.320 -18.424 1.00 37.79 C ATOM 42 O ALA A 14 64.141 -7.558 -17.818 1.00 37.53 O ATOM 43 CB ALA A 14 67.126 -8.880 -18.087 1.00 37.75 C ATOM 44 HA ALA A 14 65.336 -9.293 -19.196 1.00 0.00 H ATOM 45 HB1 ALA A 14 67.650 -9.739 -18.505 1.00 0.00 H ATOM 46 HB2 ALA A 14 67.825 -8.054 -17.956 1.00 0.00 H ATOM 47 HB3 ALA A 14 66.695 -9.149 -17.123 1.00 0.00 H ATOM 48 H ALA A 14 67.611 -8.042 -20.438 1.00 0.00 H ATOM 49 N GLU A 15 65.683 -6.093 -18.598 1.00 37.87 N ATOM 50 CA GLU A 15 65.027 -4.890 -18.102 1.00 37.87 C ATOM 51 C GLU A 15 63.743 -4.585 -18.878 1.00 37.46 C ATOM 52 O GLU A 15 62.776 -4.070 -18.311 1.00 37.43 O ATOM 53 CB GLU A 15 65.985 -3.691 -18.152 1.00 37.96 C ATOM 54 CG GLU A 15 67.303 -3.882 -17.383 1.00 38.12 C ATOM 55 CD GLU A 15 68.284 -2.728 -17.565 1.00 38.31 C ATOM 56 OE1 GLU A 15 68.149 -1.958 -18.541 1.00 38.50 O ATOM 57 OE2 GLU A 15 69.203 -2.591 -16.729 1.00 39.04 O ATOM 58 HA GLU A 15 64.749 -5.072 -17.064 1.00 0.00 H ATOM 59 HB2 GLU A 15 66.228 -3.494 -19.196 1.00 0.00 H ATOM 60 HB3 GLU A 15 65.469 -2.828 -17.731 1.00 0.00 H ATOM 61 HG2 GLU A 15 67.073 -3.976 -16.322 1.00 0.00 H ATOM 62 HG3 GLU A 15 67.778 -4.798 -17.734 1.00 0.00 H ATOM 63 H GLU A 15 66.580 -5.989 -19.114 1.00 0.00 H ATOM 64 N GLU A 16 63.741 -4.900 -20.173 1.00 37.06 N ATOM 65 CA GLU A 16 62.541 -4.786 -21.005 1.00 36.67 C ATOM 66 C GLU A 16 61.467 -5.774 -20.563 1.00 36.41 C ATOM 67 O GLU A 16 60.276 -5.453 -20.580 1.00 36.46 O ATOM 68 CB GLU A 16 62.875 -5.011 -22.485 1.00 36.59 C ATOM 69 CG GLU A 16 63.501 -3.808 -23.173 1.00 36.73 C ATOM 70 CD GLU A 16 63.717 -4.034 -24.657 1.00 36.68 C ATOM 71 OE1 GLU A 16 62.725 -4.299 -25.372 1.00 36.73 O ATOM 72 OE2 GLU A 16 64.880 -3.941 -25.107 1.00 36.71 O ATOM 73 HA GLU A 16 62.155 -3.774 -20.881 1.00 0.00 H ATOM 74 HB2 GLU A 16 63.572 -5.846 -22.555 1.00 0.00 H ATOM 75 HB3 GLU A 16 61.953 -5.263 -23.009 1.00 0.00 H ATOM 76 HG2 GLU A 16 62.843 -2.949 -23.042 1.00 0.00 H ATOM 77 HG3 GLU A 16 64.464 -3.601 -22.707 1.00 0.00 H ATOM 78 H GLU A 16 64.623 -5.239 -20.608 1.00 0.00 H ATOM 79 N LYS A 17 61.897 -6.972 -20.166 1.00 36.32 N ATOM 80 CA LYS A 17 60.988 -7.997 -19.644 1.00 36.64 C ATOM 81 C LYS A 17 60.339 -7.553 -18.339 1.00 36.50 C ATOM 82 O LYS A 17 59.161 -7.838 -18.100 1.00 36.79 O ATOM 83 CB LYS A 17 61.713 -9.332 -19.446 1.00 36.76 C ATOM 84 CG LYS A 17 61.673 -10.233 -20.667 1.00 37.23 C ATOM 85 CD LYS A 17 62.357 -11.575 -20.413 1.00 37.19 C ATOM 86 CE LYS A 17 62.164 -12.517 -21.597 1.00 37.59 C ATOM 87 NZ LYS A 17 62.803 -13.846 -21.381 1.00 38.06 N ATOM 88 HA LYS A 17 60.202 -8.137 -20.386 1.00 0.00 H ATOM 89 HB2 LYS A 17 62.756 -9.126 -19.204 1.00 0.00 H ATOM 90 HB3 LYS A 17 61.245 -9.858 -18.614 1.00 0.00 H ATOM 91 HG2 LYS A 17 60.633 -10.414 -20.937 1.00 0.00 H ATOM 92 HG3 LYS A 17 62.179 -9.731 -21.492 1.00 0.00 H ATOM 93 HD2 LYS A 17 63.423 -11.409 -20.259 1.00 0.00 H ATOM 94 HD3 LYS A 17 61.929 -12.031 -19.520 1.00 0.00 H ATOM 95 HE2 LYS A 17 62.602 -12.058 -22.484 1.00 0.00 H ATOM 96 HE3 LYS A 17 61.096 -12.664 -21.756 1.00 0.00 H ATOM 97 HZ1 LYS A 17 63.825 -13.719 -21.236 1.00 0.00 H ATOM 98 HZ2 LYS A 17 62.387 -14.297 -20.542 1.00 0.00 H ATOM 99 HZ3 LYS A 17 62.642 -14.446 -22.215 1.00 0.00 H ATOM 100 H LYS A 17 62.913 -7.187 -20.229 1.00 0.00 H ATOM 101 N VAL A 18 61.117 -6.856 -17.508 1.00 36.24 N ATOM 102 CA VAL A 18 60.607 -6.257 -16.276 1.00 36.06 C ATOM 103 C VAL A 18 59.544 -5.202 -16.596 1.00 36.22 C ATOM 104 O VAL A 18 58.440 -5.257 -16.051 1.00 36.42 O ATOM 105 CB VAL A 18 61.736 -5.665 -15.390 1.00 35.91 C ATOM 106 CG1 VAL A 18 61.151 -4.867 -14.221 1.00 35.69 C ATOM 107 CG2 VAL A 18 62.640 -6.772 -14.858 1.00 35.84 C ATOM 108 HA VAL A 18 60.145 -7.055 -15.695 1.00 0.00 H ATOM 109 HB VAL A 18 62.328 -4.993 -16.011 1.00 0.00 H ATOM 110 HG11 VAL A 18 60.544 -4.049 -14.609 1.00 0.00 H ATOM 111 HG12 VAL A 18 60.532 -5.523 -13.609 1.00 0.00 H ATOM 112 HG13 VAL A 18 61.963 -4.463 -13.616 1.00 0.00 H ATOM 113 HG21 VAL A 18 62.049 -7.466 -14.260 1.00 0.00 H ATOM 114 HG22 VAL A 18 63.091 -7.305 -15.695 1.00 0.00 H ATOM 115 HG23 VAL A 18 63.424 -6.334 -14.240 1.00 0.00 H ATOM 116 H VAL A 18 62.122 -6.735 -17.746 1.00 0.00 H ATOM 117 N ARG A 19 59.868 -4.271 -17.497 1.00 36.24 N ATOM 118 CA ARG A 19 58.948 -3.187 -17.866 1.00 36.25 C ATOM 119 C ARG A 19 57.588 -3.716 -18.301 1.00 36.05 C ATOM 120 O ARG A 19 56.551 -3.241 -17.839 1.00 35.87 O ATOM 121 CB ARG A 19 59.535 -2.323 -18.985 1.00 36.35 C ATOM 122 CG ARG A 19 60.651 -1.392 -18.553 1.00 37.10 C ATOM 123 CD ARG A 19 61.435 -0.911 -19.757 1.00 38.36 C ATOM 124 NE ARG A 19 62.666 -0.225 -19.373 1.00 39.35 N ATOM 125 CZ ARG A 19 63.803 -0.275 -20.061 1.00 39.80 C ATOM 126 NH1 ARG A 19 63.884 -0.995 -21.174 1.00 40.24 N ATOM 127 NH2 ARG A 19 64.868 0.389 -19.627 1.00 40.26 N ATOM 128 HA ARG A 19 58.812 -2.579 -16.972 1.00 0.00 H ATOM 129 HB2 ARG A 19 59.927 -2.987 -19.756 1.00 0.00 H ATOM 130 HB3 ARG A 19 58.731 -1.717 -19.403 1.00 0.00 H ATOM 131 HG2 ARG A 19 60.223 -0.533 -18.037 1.00 0.00 H ATOM 132 HG3 ARG A 19 61.321 -1.924 -17.877 1.00 0.00 H ATOM 133 HD2 ARG A 19 60.813 -0.223 -20.330 1.00 0.00 H ATOM 134 HD3 ARG A 19 61.690 -1.770 -20.377 1.00 0.00 H ATOM 135 HE ARG A 19 62.652 0.342 -18.501 1.00 0.00 H ATOM 136 HH12 ARG A 19 64.776 -1.030 -21.707 1.00 0.00 H ATOM 137 HH11 ARG A 19 63.055 -1.524 -21.512 1.00 0.00 H ATOM 138 HH22 ARG A 19 65.758 0.351 -20.163 1.00 0.00 H ATOM 139 HH21 ARG A 19 64.812 0.947 -18.751 1.00 0.00 H ATOM 140 H ARG A 19 60.802 -4.315 -17.952 1.00 0.00 H ATOM 141 N ASP A 20 57.609 -4.710 -19.187 1.00 35.65 N ATOM 142 CA ASP A 20 56.391 -5.266 -19.777 1.00 35.38 C ATOM 143 C ASP A 20 55.498 -6.021 -18.780 1.00 34.99 C ATOM 144 O ASP A 20 54.327 -6.284 -19.058 1.00 34.86 O ATOM 145 CB ASP A 20 56.754 -6.158 -20.971 1.00 35.43 C ATOM 146 CG ASP A 20 57.452 -5.390 -22.094 1.00 35.87 C ATOM 147 OD1 ASP A 20 57.445 -4.138 -22.082 1.00 36.17 O ATOM 148 OD2 ASP A 20 58.011 -6.046 -22.999 1.00 35.92 O ATOM 149 HA ASP A 20 55.794 -4.418 -20.112 1.00 0.00 H ATOM 150 HB2 ASP A 20 57.418 -6.950 -20.625 1.00 0.00 H ATOM 151 HB3 ASP A 20 55.839 -6.600 -21.367 1.00 0.00 H ATOM 152 H ASP A 20 58.528 -5.107 -19.471 1.00 0.00 H ATOM 153 N ALA A 21 56.047 -6.346 -17.614 1.00 34.62 N ATOM 154 CA ALA A 21 55.300 -7.075 -16.589 1.00 34.31 C ATOM 155 C ALA A 21 54.797 -6.171 -15.454 1.00 34.05 C ATOM 156 O ALA A 21 54.471 -6.659 -14.369 1.00 34.30 O ATOM 157 CB ALA A 21 56.152 -8.216 -16.032 1.00 34.48 C ATOM 158 HA ALA A 21 54.412 -7.484 -17.072 1.00 0.00 H ATOM 159 HB1 ALA A 21 56.414 -8.900 -16.839 1.00 0.00 H ATOM 160 HB2 ALA A 21 57.061 -7.807 -15.591 1.00 0.00 H ATOM 161 HB3 ALA A 21 55.586 -8.752 -15.270 1.00 0.00 H ATOM 162 H ALA A 21 57.033 -6.075 -17.425 1.00 0.00 H ATOM 163 N LEU A 22 54.732 -4.863 -15.708 1.00 33.42 N ATOM 164 CA LEU A 22 54.324 -3.893 -14.680 1.00 32.74 C ATOM 165 C LEU A 22 53.019 -3.168 -15.016 1.00 32.41 C ATOM 166 O LEU A 22 52.805 -2.020 -14.598 1.00 32.27 O ATOM 167 CB LEU A 22 55.436 -2.875 -14.395 1.00 32.67 C ATOM 168 CG LEU A 22 56.770 -3.385 -13.844 1.00 33.17 C ATOM 169 CD1 LEU A 22 57.751 -2.233 -13.707 1.00 33.10 C ATOM 170 CD2 LEU A 22 56.608 -4.129 -12.524 1.00 33.75 C ATOM 171 HA LEU A 22 54.141 -4.480 -13.780 1.00 0.00 H ATOM 172 HB2 LEU A 22 55.650 -2.361 -15.332 1.00 0.00 H ATOM 173 HB3 LEU A 22 55.041 -2.161 -13.672 1.00 0.00 H ATOM 174 HG LEU A 22 57.167 -4.107 -14.558 1.00 0.00 H ATOM 175 HD21 LEU A 22 56.171 -3.460 -11.783 1.00 0.00 H ATOM 176 HD22 LEU A 22 55.954 -4.988 -12.671 1.00 0.00 H ATOM 177 HD23 LEU A 22 57.584 -4.469 -12.178 1.00 0.00 H ATOM 178 HD11 LEU A 22 57.916 -1.780 -14.684 1.00 0.00 H ATOM 179 HD12 LEU A 22 57.342 -1.488 -13.024 1.00 0.00 H ATOM 180 HD13 LEU A 22 58.696 -2.607 -13.314 1.00 0.00 H ATOM 181 H LEU A 22 54.976 -4.520 -16.659 1.00 0.00 H ATOM 182 N LYS A 23 52.156 -3.845 -15.771 1.00 31.86 N ATOM 183 CA LYS A 23 50.825 -3.328 -16.067 1.00 31.43 C ATOM 184 C LYS A 23 50.020 -3.285 -14.769 1.00 30.46 C ATOM 185 O LYS A 23 49.860 -4.317 -14.117 1.00 30.57 O ATOM 186 CB LYS A 23 50.097 -4.209 -17.083 1.00 31.94 C ATOM 187 CG LYS A 23 50.846 -4.508 -18.366 1.00 33.22 C ATOM 188 CD LYS A 23 49.861 -4.941 -19.445 1.00 35.05 C ATOM 189 CE LYS A 23 50.408 -6.075 -20.302 1.00 36.38 C ATOM 190 NZ LYS A 23 50.293 -7.393 -19.605 1.00 37.29 N ATOM 191 HA LYS A 23 50.925 -2.331 -16.496 1.00 0.00 H ATOM 192 HB2 LYS A 23 49.873 -5.160 -16.599 1.00 0.00 H ATOM 193 HB3 LYS A 23 49.166 -3.710 -17.350 1.00 0.00 H ATOM 194 HG2 LYS A 23 51.374 -3.613 -18.695 1.00 0.00 H ATOM 195 HG3 LYS A 23 51.565 -5.308 -18.189 1.00 0.00 H ATOM 196 HD2 LYS A 23 48.940 -5.275 -18.967 1.00 0.00 H ATOM 197 HD3 LYS A 23 49.646 -4.087 -20.088 1.00 0.00 H ATOM 198 HE2 LYS A 23 51.458 -5.880 -20.520 1.00 0.00 H ATOM 199 HE3 LYS A 23 49.846 -6.117 -21.235 1.00 0.00 H ATOM 200 HZ1 LYS A 23 50.832 -7.362 -18.716 1.00 0.00 H ATOM 201 HZ2 LYS A 23 49.293 -7.589 -19.399 1.00 0.00 H ATOM 202 HZ3 LYS A 23 50.675 -8.142 -20.217 1.00 0.00 H ATOM 203 H LYS A 23 52.439 -4.767 -16.160 1.00 0.00 H ATOM 204 N PRO A 24 49.520 -2.092 -14.388 1.00 29.46 N ATOM 205 CA PRO A 24 48.755 -1.936 -13.148 1.00 28.62 C ATOM 206 C PRO A 24 47.556 -2.890 -13.052 1.00 27.55 C ATOM 207 O PRO A 24 46.923 -3.184 -14.071 1.00 27.64 O ATOM 208 CB PRO A 24 48.283 -0.479 -13.212 1.00 28.68 C ATOM 209 CG PRO A 24 49.290 0.200 -14.062 1.00 29.10 C ATOM 210 CD PRO A 24 49.651 -0.809 -15.105 1.00 29.44 C ATOM 211 HA PRO A 24 49.357 -2.173 -12.271 1.00 0.00 H ATOM 212 HD3 PRO A 24 48.965 -0.761 -15.951 1.00 0.00 H ATOM 213 HD2 PRO A 24 50.671 -0.660 -15.458 1.00 0.00 H ATOM 214 HG3 PRO A 24 50.166 0.476 -13.475 1.00 0.00 H ATOM 215 HG2 PRO A 24 48.866 1.093 -14.521 1.00 0.00 H ATOM 216 HB2 PRO A 24 47.292 -0.414 -13.661 1.00 0.00 H ATOM 217 HB3 PRO A 24 48.258 -0.037 -12.216 1.00 0.00 H ATOM 218 N PRO A 25 47.255 -3.380 -11.832 1.00 26.54 N ATOM 219 CA PRO A 25 46.111 -4.251 -11.578 1.00 25.54 C ATOM 220 C PRO A 25 44.807 -3.577 -11.980 1.00 24.51 C ATOM 221 O PRO A 25 44.667 -2.363 -11.824 1.00 24.14 O ATOM 222 CB PRO A 25 46.130 -4.424 -10.054 1.00 25.72 C ATOM 223 CG PRO A 25 47.498 -4.132 -9.639 1.00 25.76 C ATOM 224 CD PRO A 25 48.016 -3.107 -10.598 1.00 26.48 C ATOM 225 HA PRO A 25 46.172 -5.184 -12.138 1.00 0.00 H ATOM 226 HD3 PRO A 25 47.821 -2.098 -10.234 1.00 0.00 H ATOM 227 HD2 PRO A 25 49.086 -3.232 -10.763 1.00 0.00 H ATOM 228 HG3 PRO A 25 48.108 -5.034 -9.684 1.00 0.00 H ATOM 229 HG2 PRO A 25 47.509 -3.738 -8.623 1.00 0.00 H ATOM 230 HB2 PRO A 25 45.434 -3.730 -9.584 1.00 0.00 H ATOM 231 HB3 PRO A 25 45.861 -5.445 -9.784 1.00 0.00 H ATOM 232 N SER A 26 43.875 -4.363 -12.505 1.00 23.59 N ATOM 233 CA SER A 26 42.533 -3.879 -12.785 1.00 22.95 C ATOM 234 C SER A 26 41.796 -3.795 -11.458 1.00 21.72 C ATOM 235 O SER A 26 41.458 -4.821 -10.859 1.00 22.02 O ATOM 236 CB SER A 26 41.808 -4.814 -13.760 1.00 23.34 C ATOM 237 OG SER A 26 40.471 -4.400 -13.977 1.00 24.91 O ATOM 238 HA SER A 26 42.571 -2.898 -13.260 1.00 0.00 H ATOM 239 HB2 SER A 26 41.804 -5.823 -13.348 1.00 0.00 H ATOM 240 HB3 SER A 26 42.338 -4.814 -14.712 1.00 0.00 H ATOM 241 HG SER A 26 40.467 -3.486 -14.357 1.00 0.00 H ATOM 242 H SER A 26 44.111 -5.352 -12.722 1.00 0.00 H ATOM 243 N MET A 27 41.585 -2.570 -10.986 1.00 20.32 N ATOM 244 CA MET A 27 40.916 -2.350 -9.706 1.00 19.15 C ATOM 245 C MET A 27 39.570 -1.661 -9.907 1.00 18.44 C ATOM 246 O MET A 27 39.398 -0.865 -10.836 1.00 18.18 O ATOM 247 CB MET A 27 41.794 -1.545 -8.744 1.00 19.12 C ATOM 248 CG MET A 27 43.155 -2.185 -8.437 1.00 18.90 C ATOM 249 SD MET A 27 43.042 -3.764 -7.570 1.00 18.52 S ATOM 250 CE MET A 27 42.813 -3.206 -5.885 1.00 16.25 C ATOM 251 HA MET A 27 40.740 -3.328 -9.257 1.00 0.00 H ATOM 252 HB2 MET A 27 41.971 -0.564 -9.184 1.00 0.00 H ATOM 253 HB3 MET A 27 41.253 -1.429 -7.805 1.00 0.00 H ATOM 254 HG2 MET A 27 43.728 -1.494 -7.819 1.00 0.00 H ATOM 255 HG3 MET A 27 43.679 -2.347 -9.379 1.00 0.00 H ATOM 256 HE1 MET A 27 43.669 -2.602 -5.584 1.00 0.00 H ATOM 257 HE2 MET A 27 41.905 -2.607 -5.822 1.00 0.00 H ATOM 258 HE3 MET A 27 42.726 -4.070 -5.226 1.00 0.00 H ATOM 259 H MET A 27 41.903 -1.750 -11.541 1.00 0.00 H ATOM 260 N TYR A 28 38.632 -1.977 -9.019 1.00 17.75 N ATOM 261 CA TYR A 28 37.273 -1.474 -9.090 1.00 16.96 C ATOM 262 C TYR A 28 36.828 -0.855 -7.781 1.00 16.62 C ATOM 263 O TYR A 28 37.035 -1.436 -6.712 1.00 16.71 O ATOM 264 CB TYR A 28 36.306 -2.598 -9.480 1.00 17.34 C ATOM 265 CG TYR A 28 36.444 -2.984 -10.924 1.00 17.76 C ATOM 266 CD1 TYR A 28 37.419 -3.892 -11.324 1.00 17.96 C ATOM 267 CD2 TYR A 28 35.624 -2.417 -11.892 1.00 17.94 C ATOM 268 CE1 TYR A 28 37.566 -4.236 -12.646 1.00 18.35 C ATOM 269 CE2 TYR A 28 35.766 -2.757 -13.234 1.00 18.47 C ATOM 270 CZ TYR A 28 36.739 -3.669 -13.596 1.00 18.68 C ATOM 271 OH TYR A 28 36.879 -4.019 -14.920 1.00 20.08 O ATOM 272 HA TYR A 28 37.259 -0.696 -9.853 1.00 0.00 H ATOM 273 HB3 TYR A 28 35.285 -2.261 -9.302 1.00 0.00 H ATOM 274 HB2 TYR A 28 36.513 -3.471 -8.861 1.00 0.00 H ATOM 275 HD2 TYR A 28 34.860 -1.697 -11.597 1.00 0.00 H ATOM 276 HE2 TYR A 28 35.119 -2.310 -13.989 1.00 0.00 H ATOM 277 HE1 TYR A 28 38.331 -4.953 -12.944 1.00 0.00 H ATOM 278 HD1 TYR A 28 38.076 -4.337 -10.577 1.00 0.00 H ATOM 279 HH TYR A 28 37.614 -4.676 -15.010 1.00 0.00 H ATOM 280 H TYR A 28 38.884 -2.615 -8.237 1.00 0.00 H ATOM 281 N LYS A 29 36.248 0.340 -7.891 1.00 16.06 N ATOM 282 CA LYS A 29 35.554 0.998 -6.792 1.00 16.21 C ATOM 283 C LYS A 29 34.242 0.256 -6.591 1.00 15.67 C ATOM 284 O LYS A 29 33.532 -0.026 -7.563 1.00 15.82 O ATOM 285 CB LYS A 29 35.264 2.465 -7.138 1.00 16.29 C ATOM 286 CG LYS A 29 36.491 3.295 -7.541 1.00 18.75 C ATOM 287 CD LYS A 29 36.180 4.059 -8.820 1.00 22.90 C ATOM 288 CE LYS A 29 35.826 5.504 -8.566 1.00 24.41 C ATOM 289 NZ LYS A 29 37.060 6.318 -8.640 1.00 25.65 N ATOM 290 HA LYS A 29 36.166 0.981 -5.890 1.00 0.00 H ATOM 291 HB2 LYS A 29 34.557 2.483 -7.967 1.00 0.00 H ATOM 292 HB3 LYS A 29 34.810 2.935 -6.265 1.00 0.00 H ATOM 293 HG2 LYS A 29 36.733 3.999 -6.745 1.00 0.00 H ATOM 294 HG3 LYS A 29 37.340 2.633 -7.709 1.00 0.00 H ATOM 295 HD2 LYS A 29 37.055 4.023 -9.469 1.00 0.00 H ATOM 296 HD3 LYS A 29 35.339 3.577 -9.319 1.00 0.00 H ATOM 297 HE2 LYS A 29 35.380 5.604 -7.576 1.00 0.00 H ATOM 298 HE3 LYS A 29 35.116 5.845 -9.319 1.00 0.00 H ATOM 299 HZ1 LYS A 29 37.735 5.988 -7.921 1.00 0.00 H ATOM 300 HZ2 LYS A 29 37.483 6.219 -9.585 1.00 0.00 H ATOM 301 HZ3 LYS A 29 36.826 7.316 -8.466 1.00 0.00 H ATOM 302 H LYS A 29 36.293 0.828 -8.808 1.00 0.00 H ATOM 303 N VAL A 30 33.934 -0.084 -5.347 1.00 15.01 N ATOM 304 CA VAL A 30 32.583 -0.546 -5.016 1.00 15.40 C ATOM 305 C VAL A 30 31.817 0.655 -4.471 1.00 15.91 C ATOM 306 O VAL A 30 32.279 1.328 -3.541 1.00 15.88 O ATOM 307 CB VAL A 30 32.599 -1.714 -4.001 1.00 15.64 C ATOM 308 CG1 VAL A 30 31.197 -2.014 -3.507 1.00 15.96 C ATOM 309 CG2 VAL A 30 33.198 -2.976 -4.632 1.00 15.05 C ATOM 310 HA VAL A 30 32.096 -0.940 -5.908 1.00 0.00 H ATOM 311 HB VAL A 30 33.218 -1.411 -3.157 1.00 0.00 H ATOM 312 HG11 VAL A 30 30.788 -1.129 -3.020 1.00 0.00 H ATOM 313 HG12 VAL A 30 30.567 -2.290 -4.352 1.00 0.00 H ATOM 314 HG13 VAL A 30 31.233 -2.838 -2.795 1.00 0.00 H ATOM 315 HG21 VAL A 30 32.600 -3.268 -5.495 1.00 0.00 H ATOM 316 HG22 VAL A 30 34.221 -2.772 -4.949 1.00 0.00 H ATOM 317 HG23 VAL A 30 33.198 -3.782 -3.899 1.00 0.00 H ATOM 318 H VAL A 30 34.656 -0.022 -4.601 1.00 0.00 H ATOM 319 N ILE A 31 30.644 0.900 -5.051 1.00 16.00 N ATOM 320 CA ILE A 31 29.891 2.128 -4.834 1.00 16.22 C ATOM 321 C ILE A 31 28.500 1.801 -4.306 1.00 15.79 C ATOM 322 O ILE A 31 27.890 0.838 -4.748 1.00 15.02 O ATOM 323 CB ILE A 31 29.796 2.926 -6.162 1.00 16.80 C ATOM 324 CG1 ILE A 31 31.198 3.369 -6.604 1.00 17.25 C ATOM 325 CG2 ILE A 31 28.863 4.159 -6.040 1.00 17.11 C ATOM 326 CD1 ILE A 31 31.185 4.095 -7.879 1.00 19.62 C ATOM 327 HA ILE A 31 30.406 2.740 -4.093 1.00 0.00 H ATOM 328 HB ILE A 31 29.363 2.265 -6.913 1.00 0.00 H ATOM 329 HG12 ILE A 31 31.617 4.019 -5.836 1.00 0.00 H ATOM 330 HG13 ILE A 31 31.826 2.485 -6.712 1.00 0.00 H ATOM 331 HD11 ILE A 31 30.776 3.452 -8.658 1.00 0.00 H ATOM 332 HD12 ILE A 31 30.567 4.987 -7.781 1.00 0.00 H ATOM 333 HD13 ILE A 31 32.203 4.383 -8.142 1.00 0.00 H ATOM 334 HG21 ILE A 31 27.860 3.829 -5.771 1.00 0.00 H ATOM 335 HG22 ILE A 31 29.246 4.828 -5.269 1.00 0.00 H ATOM 336 HG23 ILE A 31 28.830 4.684 -6.995 1.00 0.00 H ATOM 337 H ILE A 31 30.247 0.181 -5.689 1.00 0.00 H ATOM 338 N LEU A 32 28.030 2.583 -3.334 1.00 15.24 N ATOM 339 CA LEU A 32 26.616 2.587 -2.932 1.00 15.59 C ATOM 340 C LEU A 32 25.939 3.798 -3.540 1.00 15.22 C ATOM 341 O LEU A 32 26.468 4.906 -3.471 1.00 15.17 O ATOM 342 CB LEU A 32 26.484 2.649 -1.409 1.00 15.53 C ATOM 343 CG LEU A 32 26.341 1.381 -0.556 1.00 17.76 C ATOM 344 CD1 LEU A 32 26.848 0.100 -1.173 1.00 19.12 C ATOM 345 CD2 LEU A 32 26.906 1.566 0.828 1.00 16.26 C ATOM 346 HA LEU A 32 26.146 1.669 -3.284 1.00 0.00 H ATOM 347 HB2 LEU A 32 27.373 3.164 -1.045 1.00 0.00 H ATOM 348 HB3 LEU A 32 25.604 3.258 -1.203 1.00 0.00 H ATOM 349 HG LEU A 32 25.261 1.246 -0.495 1.00 0.00 H ATOM 350 HD21 LEU A 32 27.966 1.812 0.757 1.00 0.00 H ATOM 351 HD22 LEU A 32 26.377 2.376 1.330 1.00 0.00 H ATOM 352 HD23 LEU A 32 26.783 0.644 1.396 1.00 0.00 H ATOM 353 HD11 LEU A 32 26.305 -0.096 -2.097 1.00 0.00 H ATOM 354 HD12 LEU A 32 27.912 0.199 -1.389 1.00 0.00 H ATOM 355 HD13 LEU A 32 26.692 -0.724 -0.476 1.00 0.00 H ATOM 356 H LEU A 32 28.691 3.216 -2.840 1.00 0.00 H ATOM 357 N VAL A 33 24.767 3.579 -4.131 1.00 14.93 N ATOM 358 CA VAL A 33 24.033 4.623 -4.832 1.00 15.03 C ATOM 359 C VAL A 33 22.844 5.044 -3.962 1.00 14.71 C ATOM 360 O VAL A 33 22.186 4.198 -3.358 1.00 15.14 O ATOM 361 CB VAL A 33 23.538 4.147 -6.236 1.00 15.53 C ATOM 362 CG1 VAL A 33 22.910 5.294 -6.997 1.00 16.31 C ATOM 363 CG2 VAL A 33 24.683 3.550 -7.035 1.00 16.62 C ATOM 364 HA VAL A 33 24.699 5.468 -5.003 1.00 0.00 H ATOM 365 HB VAL A 33 22.783 3.376 -6.085 1.00 0.00 H ATOM 366 HG11 VAL A 33 22.060 5.679 -6.434 1.00 0.00 H ATOM 367 HG12 VAL A 33 23.647 6.086 -7.132 1.00 0.00 H ATOM 368 HG13 VAL A 33 22.572 4.940 -7.971 1.00 0.00 H ATOM 369 HG21 VAL A 33 25.460 4.302 -7.171 1.00 0.00 H ATOM 370 HG22 VAL A 33 25.093 2.695 -6.497 1.00 0.00 H ATOM 371 HG23 VAL A 33 24.315 3.226 -8.008 1.00 0.00 H ATOM 372 H VAL A 33 24.359 2.623 -4.091 1.00 0.00 H ATOM 373 N ASN A 34 22.592 6.344 -3.883 1.00 14.58 N ATOM 374 CA ASN A 34 21.485 6.852 -3.078 1.00 15.01 C ATOM 375 C ASN A 34 20.139 6.436 -3.648 1.00 14.86 C ATOM 376 O ASN A 34 19.995 6.218 -4.853 1.00 14.97 O ATOM 377 CB ASN A 34 21.532 8.382 -2.957 1.00 15.06 C ATOM 378 CG ASN A 34 20.510 8.927 -1.963 1.00 15.61 C ATOM 379 OD1 ASN A 34 20.415 8.448 -0.842 1.00 15.68 O ATOM 380 ND2 ASN A 34 19.747 9.947 -2.380 1.00 17.83 N ATOM 381 HA ASN A 34 21.598 6.414 -2.086 1.00 0.00 H ATOM 382 HB2 ASN A 34 22.529 8.675 -2.628 1.00 0.00 H ATOM 383 HB3 ASN A 34 21.331 8.816 -3.937 1.00 0.00 H ATOM 384 HD22 ASN A 34 19.862 10.323 -3.343 1.00 0.00 H ATOM 385 HD21 ASN A 34 19.040 10.363 -1.741 1.00 0.00 H ATOM 386 H ASN A 34 23.194 7.013 -4.404 1.00 0.00 H ATOM 387 N ASP A 35 19.167 6.301 -2.758 1.00 14.98 N ATOM 388 CA ASP A 35 17.762 6.172 -3.153 1.00 15.42 C ATOM 389 C ASP A 35 16.912 6.760 -2.035 1.00 15.66 C ATOM 390 O ASP A 35 17.417 6.972 -0.923 1.00 15.77 O ATOM 391 CB ASP A 35 17.393 4.713 -3.452 1.00 15.83 C ATOM 392 CG ASP A 35 17.419 3.841 -2.229 1.00 16.77 C ATOM 393 OD1 ASP A 35 16.578 4.060 -1.322 1.00 18.62 O ATOM 394 OD2 ASP A 35 18.252 2.917 -2.179 1.00 18.69 O ATOM 395 HA ASP A 35 17.579 6.717 -4.079 1.00 0.00 H ATOM 396 HB2 ASP A 35 16.389 4.688 -3.876 1.00 0.00 H ATOM 397 HB3 ASP A 35 18.103 4.316 -4.178 1.00 0.00 H ATOM 398 H ASP A 35 19.409 6.286 -1.747 1.00 0.00 H ATOM 399 N ASP A 36 15.636 7.029 -2.323 1.00 15.88 N ATOM 400 CA ASP A 36 14.755 7.697 -1.350 1.00 16.66 C ATOM 401 C ASP A 36 14.007 6.770 -0.376 1.00 16.48 C ATOM 402 O ASP A 36 13.066 7.220 0.302 1.00 16.78 O ATOM 403 CB ASP A 36 13.725 8.588 -2.078 1.00 17.24 C ATOM 404 CG ASP A 36 14.361 9.565 -3.058 1.00 18.53 C ATOM 405 OD1 ASP A 36 15.435 10.133 -2.767 1.00 20.99 O ATOM 406 OD2 ASP A 36 13.770 9.774 -4.131 1.00 20.30 O ATOM 407 HA ASP A 36 15.437 8.286 -0.737 1.00 0.00 H ATOM 408 HB2 ASP A 36 13.037 7.945 -2.627 1.00 0.00 H ATOM 409 HB3 ASP A 36 13.171 9.157 -1.332 1.00 0.00 H ATOM 410 H ASP A 36 15.257 6.761 -3.254 1.00 0.00 H ATOM 411 N TYR A 37 14.411 5.495 -0.298 1.00 16.19 N ATOM 412 CA TYR A 37 13.666 4.471 0.457 1.00 16.96 C ATOM 413 C TYR A 37 14.460 3.676 1.496 1.00 16.46 C ATOM 414 O TYR A 37 13.900 3.222 2.503 1.00 17.12 O ATOM 415 CB TYR A 37 12.970 3.514 -0.507 1.00 17.56 C ATOM 416 CG TYR A 37 12.047 4.260 -1.414 1.00 17.85 C ATOM 417 CD1 TYR A 37 10.767 4.595 -0.995 1.00 18.00 C ATOM 418 CD2 TYR A 37 12.478 4.693 -2.671 1.00 19.28 C ATOM 419 CE1 TYR A 37 9.922 5.320 -1.815 1.00 19.03 C ATOM 420 CE2 TYR A 37 11.645 5.421 -3.495 1.00 19.46 C ATOM 421 CZ TYR A 37 10.365 5.726 -3.059 1.00 18.60 C ATOM 422 OH TYR A 37 9.523 6.441 -3.867 1.00 19.73 O ATOM 423 HA TYR A 37 12.948 5.042 1.045 1.00 0.00 H ATOM 424 HB3 TYR A 37 12.398 2.783 0.064 1.00 0.00 H ATOM 425 HB2 TYR A 37 13.721 2.998 -1.105 1.00 0.00 H ATOM 426 HD2 TYR A 37 13.487 4.452 -3.005 1.00 0.00 H ATOM 427 HE2 TYR A 37 11.988 5.752 -4.475 1.00 0.00 H ATOM 428 HE1 TYR A 37 8.914 5.569 -1.483 1.00 0.00 H ATOM 429 HD1 TYR A 37 10.424 4.283 -0.009 1.00 0.00 H ATOM 430 HH TYR A 37 8.656 6.570 -3.407 1.00 0.00 H ATOM 431 H TYR A 37 15.284 5.217 -0.789 1.00 0.00 H ATOM 432 N THR A 38 15.759 3.538 1.259 1.00 15.87 N ATOM 433 CA THR A 38 16.635 2.821 2.169 1.00 15.10 C ATOM 434 C THR A 38 16.950 3.663 3.392 1.00 15.32 C ATOM 435 O THR A 38 17.371 4.825 3.254 1.00 15.05 O ATOM 436 CB THR A 38 17.939 2.418 1.489 1.00 14.74 C ATOM 437 OG1 THR A 38 17.627 1.676 0.309 1.00 13.58 O ATOM 438 CG2 THR A 38 18.804 1.562 2.424 1.00 13.04 C ATOM 439 HA THR A 38 16.106 1.919 2.476 1.00 0.00 H ATOM 440 HB THR A 38 18.502 3.316 1.236 1.00 0.00 H ATOM 441 HG1 THR A 38 17.088 2.240 -0.301 1.00 0.00 H ATOM 442 HG23 THR A 38 19.039 2.132 3.323 1.00 0.00 H ATOM 443 HG21 THR A 38 18.257 0.659 2.698 1.00 0.00 H ATOM 444 HG22 THR A 38 19.727 1.288 1.914 1.00 0.00 H ATOM 445 H THR A 38 16.161 3.956 0.396 1.00 0.00 H ATOM 446 N PRO A 39 16.709 3.094 4.583 1.00 15.83 N ATOM 447 CA PRO A 39 17.021 3.758 5.845 1.00 16.26 C ATOM 448 C PRO A 39 18.507 4.051 5.996 1.00 16.41 C ATOM 449 O PRO A 39 19.349 3.233 5.620 1.00 16.03 O ATOM 450 CB PRO A 39 16.582 2.731 6.895 1.00 16.39 C ATOM 451 CG PRO A 39 15.552 1.932 6.226 1.00 16.88 C ATOM 452 CD PRO A 39 16.049 1.799 4.814 1.00 16.26 C ATOM 453 HA PRO A 39 16.527 4.726 5.928 1.00 0.00 H ATOM 454 HD3 PRO A 39 16.756 0.975 4.721 1.00 0.00 H ATOM 455 HD2 PRO A 39 15.223 1.648 4.118 1.00 0.00 H ATOM 456 HG3 PRO A 39 14.589 2.442 6.251 1.00 0.00 H ATOM 457 HG2 PRO A 39 15.455 0.953 6.696 1.00 0.00 H ATOM 458 HB2 PRO A 39 17.422 2.104 7.194 1.00 0.00 H ATOM 459 HB3 PRO A 39 16.172 3.230 7.773 1.00 0.00 H ATOM 460 N MET A 40 18.816 5.233 6.528 1.00 16.57 N ATOM 461 CA MET A 40 20.196 5.614 6.814 1.00 16.89 C ATOM 462 C MET A 40 20.865 4.573 7.710 1.00 16.62 C ATOM 463 O MET A 40 21.998 4.167 7.463 1.00 15.67 O ATOM 464 CB MET A 40 20.241 6.999 7.466 1.00 16.95 C ATOM 465 CG MET A 40 19.988 8.145 6.506 1.00 16.88 C ATOM 466 SD MET A 40 20.014 9.740 7.352 1.00 18.44 S ATOM 467 CE MET A 40 19.704 10.870 5.998 1.00 18.89 C ATOM 468 HA MET A 40 20.746 5.658 5.874 1.00 0.00 H ATOM 469 HB2 MET A 40 19.483 7.034 8.248 1.00 0.00 H ATOM 470 HB3 MET A 40 21.227 7.136 7.911 1.00 0.00 H ATOM 471 HG2 MET A 40 19.012 8.007 6.040 1.00 0.00 H ATOM 472 HG3 MET A 40 20.761 8.140 5.737 1.00 0.00 H ATOM 473 HE1 MET A 40 20.491 10.765 5.252 1.00 0.00 H ATOM 474 HE2 MET A 40 18.740 10.638 5.546 1.00 0.00 H ATOM 475 HE3 MET A 40 19.693 11.893 6.375 1.00 0.00 H ATOM 476 H MET A 40 18.052 5.904 6.746 1.00 0.00 H ATOM 477 N GLU A 41 20.156 4.152 8.756 1.00 16.90 N ATOM 478 CA GLU A 41 20.660 3.102 9.643 1.00 17.20 C ATOM 479 C GLU A 41 21.051 1.812 8.919 1.00 16.46 C ATOM 480 O GLU A 41 22.014 1.154 9.304 1.00 15.72 O ATOM 481 CB GLU A 41 19.673 2.814 10.765 1.00 18.17 C ATOM 482 CG GLU A 41 19.751 3.826 11.894 1.00 21.01 C ATOM 483 CD GLU A 41 21.177 4.252 12.222 1.00 24.69 C ATOM 484 OE1 GLU A 41 21.961 3.423 12.741 1.00 26.41 O ATOM 485 OE2 GLU A 41 21.512 5.431 11.966 1.00 27.18 O ATOM 486 HA GLU A 41 21.582 3.496 10.070 1.00 0.00 H ATOM 487 HB2 GLU A 41 18.664 2.829 10.353 1.00 0.00 H ATOM 488 HB3 GLU A 41 19.885 1.824 11.169 1.00 0.00 H ATOM 489 HG2 GLU A 41 19.183 4.710 11.607 1.00 0.00 H ATOM 490 HG3 GLU A 41 19.307 3.385 12.786 1.00 0.00 H ATOM 491 H GLU A 41 19.226 4.577 8.946 1.00 0.00 H ATOM 492 N PHE A 42 20.322 1.465 7.860 1.00 16.28 N ATOM 493 CA PHE A 42 20.628 0.247 7.103 1.00 15.71 C ATOM 494 C PHE A 42 21.943 0.371 6.337 1.00 15.06 C ATOM 495 O PHE A 42 22.709 -0.580 6.241 1.00 14.70 O ATOM 496 CB PHE A 42 19.514 -0.101 6.114 1.00 16.14 C ATOM 497 CG PHE A 42 19.719 -1.419 5.439 1.00 16.29 C ATOM 498 CD1 PHE A 42 19.514 -2.600 6.139 1.00 17.14 C ATOM 499 CD2 PHE A 42 20.133 -1.489 4.113 1.00 17.47 C ATOM 500 CE1 PHE A 42 19.715 -3.828 5.533 1.00 17.13 C ATOM 501 CE2 PHE A 42 20.340 -2.726 3.498 1.00 17.10 C ATOM 502 CZ PHE A 42 20.127 -3.889 4.208 1.00 17.22 C ATOM 503 HA PHE A 42 20.716 -0.551 7.840 1.00 0.00 H ATOM 504 HB2 PHE A 42 18.568 -0.131 6.654 1.00 0.00 H ATOM 505 HB3 PHE A 42 19.471 0.677 5.351 1.00 0.00 H ATOM 506 HD2 PHE A 42 20.297 -0.571 3.549 1.00 0.00 H ATOM 507 HE2 PHE A 42 20.669 -2.772 2.460 1.00 0.00 H ATOM 508 HZ PHE A 42 20.282 -4.856 3.729 1.00 0.00 H ATOM 509 HE1 PHE A 42 19.550 -4.747 6.095 1.00 0.00 H ATOM 510 HD1 PHE A 42 19.191 -2.560 7.179 1.00 0.00 H ATOM 511 H PHE A 42 19.525 2.066 7.566 1.00 0.00 H ATOM 512 N VAL A 43 22.190 1.552 5.788 1.00 14.23 N ATOM 513 CA VAL A 43 23.428 1.823 5.066 1.00 14.30 C ATOM 514 C VAL A 43 24.616 1.771 6.030 1.00 14.09 C ATOM 515 O VAL A 43 25.687 1.265 5.681 1.00 14.59 O ATOM 516 CB VAL A 43 23.334 3.169 4.312 1.00 14.01 C ATOM 517 CG1 VAL A 43 24.666 3.540 3.678 1.00 16.24 C ATOM 518 CG2 VAL A 43 22.212 3.089 3.235 1.00 14.92 C ATOM 519 HA VAL A 43 23.586 1.052 4.312 1.00 0.00 H ATOM 520 HB VAL A 43 23.085 3.952 5.028 1.00 0.00 H ATOM 521 HG11 VAL A 43 25.425 3.629 4.455 1.00 0.00 H ATOM 522 HG12 VAL A 43 24.959 2.764 2.970 1.00 0.00 H ATOM 523 HG13 VAL A 43 24.566 4.491 3.156 1.00 0.00 H ATOM 524 HG21 VAL A 43 22.445 2.293 2.528 1.00 0.00 H ATOM 525 HG22 VAL A 43 21.259 2.878 3.720 1.00 0.00 H ATOM 526 HG23 VAL A 43 22.149 4.040 2.706 1.00 0.00 H ATOM 527 H VAL A 43 21.480 2.307 5.875 1.00 0.00 H ATOM 528 N ILE A 44 24.422 2.257 7.256 1.00 14.43 N ATOM 529 CA ILE A 44 25.471 2.161 8.255 1.00 14.37 C ATOM 530 C ILE A 44 25.766 0.690 8.543 1.00 14.54 C ATOM 531 O ILE A 44 26.924 0.281 8.593 1.00 15.44 O ATOM 532 CB ILE A 44 25.111 2.944 9.552 1.00 14.08 C ATOM 533 CG1 ILE A 44 25.045 4.447 9.239 1.00 13.77 C ATOM 534 CG2 ILE A 44 26.126 2.662 10.654 1.00 15.83 C ATOM 535 CD1 ILE A 44 24.482 5.314 10.367 1.00 14.29 C ATOM 536 HA ILE A 44 26.373 2.628 7.860 1.00 0.00 H ATOM 537 HB ILE A 44 24.136 2.613 9.910 1.00 0.00 H ATOM 538 HG12 ILE A 44 26.055 4.792 9.018 1.00 0.00 H ATOM 539 HG13 ILE A 44 24.415 4.583 8.360 1.00 0.00 H ATOM 540 HD11 ILE A 44 23.465 4.995 10.595 1.00 0.00 H ATOM 541 HD12 ILE A 44 25.106 5.205 11.254 1.00 0.00 H ATOM 542 HD13 ILE A 44 24.475 6.358 10.053 1.00 0.00 H ATOM 543 HG21 ILE A 44 26.131 1.595 10.877 1.00 0.00 H ATOM 544 HG22 ILE A 44 27.117 2.970 10.321 1.00 0.00 H ATOM 545 HG23 ILE A 44 25.853 3.220 11.549 1.00 0.00 H ATOM 546 H ILE A 44 23.516 2.707 7.498 1.00 0.00 H ATOM 547 N ASP A 45 24.703 -0.097 8.677 1.00 15.10 N ATOM 548 CA ASP A 45 24.791 -1.535 8.904 1.00 16.49 C ATOM 549 C ASP A 45 25.561 -2.229 7.775 1.00 16.29 C ATOM 550 O ASP A 45 26.438 -3.049 8.032 1.00 16.34 O ATOM 551 CB ASP A 45 23.373 -2.101 9.023 1.00 17.17 C ATOM 552 CG ASP A 45 23.344 -3.590 9.317 1.00 19.61 C ATOM 553 OD1 ASP A 45 24.273 -4.113 9.980 1.00 22.66 O ATOM 554 OD2 ASP A 45 22.357 -4.235 8.903 1.00 21.82 O ATOM 555 HA ASP A 45 25.340 -1.720 9.827 1.00 0.00 H ATOM 556 HB2 ASP A 45 22.858 -1.579 9.829 1.00 0.00 H ATOM 557 HB3 ASP A 45 22.849 -1.923 8.084 1.00 0.00 H ATOM 558 H ASP A 45 23.759 0.335 8.617 1.00 0.00 H ATOM 559 N VAL A 46 25.243 -1.888 6.530 1.00 16.88 N ATOM 560 CA VAL A 46 25.928 -2.470 5.370 1.00 17.71 C ATOM 561 C VAL A 46 27.442 -2.224 5.388 1.00 18.56 C ATOM 562 O VAL A 46 28.252 -3.136 5.145 1.00 18.72 O ATOM 563 CB VAL A 46 25.318 -1.943 4.060 1.00 17.54 C ATOM 564 CG1 VAL A 46 26.237 -2.213 2.888 1.00 17.48 C ATOM 565 CG2 VAL A 46 23.953 -2.576 3.837 1.00 17.49 C ATOM 566 HA VAL A 46 25.780 -3.548 5.429 1.00 0.00 H ATOM 567 HB VAL A 46 25.195 -0.863 4.140 1.00 0.00 H ATOM 568 HG11 VAL A 46 27.192 -1.716 3.055 1.00 0.00 H ATOM 569 HG12 VAL A 46 26.397 -3.287 2.793 1.00 0.00 H ATOM 570 HG13 VAL A 46 25.781 -1.830 1.975 1.00 0.00 H ATOM 571 HG21 VAL A 46 24.062 -3.659 3.775 1.00 0.00 H ATOM 572 HG22 VAL A 46 23.296 -2.323 4.669 1.00 0.00 H ATOM 573 HG23 VAL A 46 23.526 -2.199 2.908 1.00 0.00 H ATOM 574 H VAL A 46 24.488 -1.190 6.374 1.00 0.00 H ATOM 575 N LEU A 47 27.806 -0.985 5.688 1.00 19.16 N ATOM 576 CA LEU A 47 29.198 -0.567 5.710 1.00 19.62 C ATOM 577 C LEU A 47 30.000 -1.241 6.825 1.00 20.27 C ATOM 578 O LEU A 47 31.199 -1.514 6.661 1.00 20.47 O ATOM 579 CB LEU A 47 29.279 0.959 5.785 1.00 19.86 C ATOM 580 CG LEU A 47 28.775 1.670 4.521 1.00 19.59 C ATOM 581 CD1 LEU A 47 28.490 3.138 4.779 1.00 20.53 C ATOM 582 CD2 LEU A 47 29.776 1.497 3.372 1.00 18.88 C ATOM 583 HA LEU A 47 29.662 -0.895 4.780 1.00 0.00 H ATOM 584 HB2 LEU A 47 28.678 1.294 6.631 1.00 0.00 H ATOM 585 HB3 LEU A 47 30.320 1.241 5.946 1.00 0.00 H ATOM 586 HG LEU A 47 27.833 1.205 4.231 1.00 0.00 H ATOM 587 HD21 LEU A 47 30.736 1.925 3.661 1.00 0.00 H ATOM 588 HD22 LEU A 47 29.900 0.436 3.156 1.00 0.00 H ATOM 589 HD23 LEU A 47 29.401 2.008 2.485 1.00 0.00 H ATOM 590 HD11 LEU A 47 27.727 3.228 5.552 1.00 0.00 H ATOM 591 HD12 LEU A 47 29.404 3.632 5.110 1.00 0.00 H ATOM 592 HD13 LEU A 47 28.136 3.605 3.860 1.00 0.00 H ATOM 593 H LEU A 47 27.069 -0.287 5.916 1.00 0.00 H ATOM 594 N GLN A 48 29.337 -1.522 7.944 1.00 20.56 N ATOM 595 CA GLN A 48 29.973 -2.200 9.069 1.00 21.52 C ATOM 596 C GLN A 48 30.083 -3.707 8.828 1.00 21.65 C ATOM 597 O GLN A 48 31.110 -4.317 9.146 1.00 22.01 O ATOM 598 CB GLN A 48 29.202 -1.945 10.367 1.00 21.65 C ATOM 599 CG GLN A 48 29.122 -0.496 10.806 1.00 22.77 C ATOM 600 CD GLN A 48 28.738 -0.372 12.265 1.00 24.18 C ATOM 601 OE1 GLN A 48 27.574 -0.143 12.599 1.00 25.47 O ATOM 602 NE2 GLN A 48 29.717 -0.539 13.148 1.00 24.33 N ATOM 603 HA GLN A 48 30.979 -1.790 9.162 1.00 0.00 H ATOM 604 HB2 GLN A 48 28.184 -2.311 10.231 1.00 0.00 H ATOM 605 HB3 GLN A 48 29.687 -2.511 11.162 1.00 0.00 H ATOM 606 HG2 GLN A 48 30.094 -0.027 10.656 1.00 0.00 H ATOM 607 HG3 GLN A 48 28.375 0.016 10.199 1.00 0.00 H ATOM 608 HE22 GLN A 48 30.685 -0.731 12.821 1.00 0.00 H ATOM 609 HE21 GLN A 48 29.515 -0.478 14.166 1.00 0.00 H ATOM 610 H GLN A 48 28.336 -1.250 8.019 1.00 0.00 H ATOM 611 N LYS A 49 29.028 -4.292 8.259 1.00 21.77 N ATOM 612 CA LYS A 49 28.938 -5.739 8.040 1.00 21.52 C ATOM 613 C LYS A 49 29.854 -6.228 6.921 1.00 21.45 C ATOM 614 O LYS A 49 30.520 -7.251 7.071 1.00 21.42 O ATOM 615 CB LYS A 49 27.494 -6.149 7.723 1.00 21.45 C ATOM 616 CG LYS A 49 27.201 -7.644 7.871 1.00 21.93 C ATOM 617 CD LYS A 49 25.731 -7.934 7.609 1.00 22.02 C ATOM 618 CE LYS A 49 25.128 -8.837 8.672 1.00 23.41 C ATOM 619 NZ LYS A 49 25.370 -10.290 8.434 1.00 24.00 N ATOM 620 HA LYS A 49 29.266 -6.208 8.968 1.00 0.00 H ATOM 621 HB2 LYS A 49 26.832 -5.606 8.397 1.00 0.00 H ATOM 622 HB3 LYS A 49 27.278 -5.862 6.694 1.00 0.00 H ATOM 623 HG2 LYS A 49 27.808 -8.200 7.157 1.00 0.00 H ATOM 624 HG3 LYS A 49 27.453 -7.960 8.883 1.00 0.00 H ATOM 625 HD2 LYS A 49 25.183 -6.992 7.596 1.00 0.00 H ATOM 626 HD3 LYS A 49 25.636 -8.421 6.639 1.00 0.00 H ATOM 627 HE2 LYS A 49 24.052 -8.667 8.698 1.00 0.00 H ATOM 628 HE3 LYS A 49 25.560 -8.570 9.636 1.00 0.00 H ATOM 629 HZ1 LYS A 49 24.953 -10.565 7.522 1.00 0.00 H ATOM 630 HZ2 LYS A 49 26.394 -10.472 8.418 1.00 0.00 H ATOM 631 HZ3 LYS A 49 24.931 -10.843 9.197 1.00 0.00 H ATOM 632 H LYS A 49 28.232 -3.694 7.957 1.00 0.00 H ATOM 633 N PHE A 50 29.870 -5.512 5.799 1.00 21.51 N ATOM 634 CA PHE A 50 30.563 -6.004 4.600 1.00 21.69 C ATOM 635 C PHE A 50 31.876 -5.300 4.269 1.00 22.13 C ATOM 636 O PHE A 50 32.639 -5.766 3.411 1.00 22.31 O ATOM 637 CB PHE A 50 29.625 -5.984 3.399 1.00 21.44 C ATOM 638 CG PHE A 50 28.443 -6.897 3.546 1.00 20.80 C ATOM 639 CD1 PHE A 50 28.586 -8.272 3.408 1.00 20.65 C ATOM 640 CD2 PHE A 50 27.191 -6.382 3.851 1.00 20.77 C ATOM 641 CE1 PHE A 50 27.487 -9.125 3.558 1.00 20.56 C ATOM 642 CE2 PHE A 50 26.095 -7.223 3.997 1.00 21.50 C ATOM 643 CZ PHE A 50 26.242 -8.600 3.847 1.00 20.79 C ATOM 644 HA PHE A 50 30.850 -7.028 4.839 1.00 0.00 H ATOM 645 HB2 PHE A 50 29.260 -4.966 3.263 1.00 0.00 H ATOM 646 HB3 PHE A 50 30.188 -6.288 2.516 1.00 0.00 H ATOM 647 HD2 PHE A 50 27.066 -5.307 3.977 1.00 0.00 H ATOM 648 HE2 PHE A 50 25.116 -6.804 4.230 1.00 0.00 H ATOM 649 HZ PHE A 50 25.381 -9.259 3.957 1.00 0.00 H ATOM 650 HE1 PHE A 50 27.613 -10.202 3.447 1.00 0.00 H ATOM 651 HD1 PHE A 50 29.566 -8.691 3.180 1.00 0.00 H ATOM 652 H PHE A 50 29.386 -4.592 5.770 1.00 0.00 H ATOM 653 N PHE A 51 32.144 -4.181 4.938 1.00 22.25 N ATOM 654 CA PHE A 51 33.332 -3.403 4.611 1.00 22.56 C ATOM 655 C PHE A 51 34.205 -3.086 5.814 1.00 23.29 C ATOM 656 O PHE A 51 35.200 -2.374 5.677 1.00 23.92 O ATOM 657 CB PHE A 51 32.956 -2.128 3.854 1.00 22.20 C ATOM 658 CG PHE A 51 32.263 -2.386 2.536 1.00 21.78 C ATOM 659 CD1 PHE A 51 30.873 -2.429 2.465 1.00 21.17 C ATOM 660 CD2 PHE A 51 32.999 -2.592 1.369 1.00 21.96 C ATOM 661 CE1 PHE A 51 30.222 -2.662 1.250 1.00 22.08 C ATOM 662 CE2 PHE A 51 32.349 -2.833 0.143 1.00 21.61 C ATOM 663 CZ PHE A 51 30.964 -2.862 0.091 1.00 21.78 C ATOM 664 HA PHE A 51 33.938 -4.036 3.962 1.00 0.00 H ATOM 665 HB2 PHE A 51 32.290 -1.537 4.483 1.00 0.00 H ATOM 666 HB3 PHE A 51 33.867 -1.562 3.659 1.00 0.00 H ATOM 667 HD2 PHE A 51 34.088 -2.566 1.406 1.00 0.00 H ATOM 668 HE2 PHE A 51 32.933 -2.996 -0.763 1.00 0.00 H ATOM 669 HZ PHE A 51 30.457 -3.041 -0.857 1.00 0.00 H ATOM 670 HE1 PHE A 51 29.133 -2.687 1.211 1.00 0.00 H ATOM 671 HD1 PHE A 51 30.284 -2.279 3.370 1.00 0.00 H ATOM 672 H PHE A 51 31.505 -3.862 5.694 1.00 0.00 H ATOM 673 N SER A 52 33.812 -3.609 6.976 1.00 24.05 N ATOM 674 CA SER A 52 34.595 -3.512 8.222 1.00 24.76 C ATOM 675 C SER A 52 34.795 -2.084 8.751 1.00 24.94 C ATOM 676 O SER A 52 35.748 -1.810 9.491 1.00 25.22 O ATOM 677 CB SER A 52 35.941 -4.242 8.072 1.00 25.03 C ATOM 678 OG SER A 52 35.755 -5.565 7.595 1.00 26.13 O ATOM 679 HA SER A 52 33.992 -4.008 8.983 1.00 0.00 H ATOM 680 HB2 SER A 52 36.436 -4.280 9.042 1.00 0.00 H ATOM 681 HB3 SER A 52 36.567 -3.694 7.367 1.00 0.00 H ATOM 682 HG SER A 52 36.635 -6.010 7.508 1.00 0.00 H ATOM 683 H SER A 52 32.903 -4.113 7.005 1.00 0.00 H ATOM 684 N TYR A 53 33.889 -1.178 8.391 1.00 24.93 N ATOM 685 CA TYR A 53 33.938 0.193 8.888 1.00 25.23 C ATOM 686 C TYR A 53 33.459 0.284 10.335 1.00 24.80 C ATOM 687 O TYR A 53 32.512 -0.408 10.724 1.00 24.63 O ATOM 688 CB TYR A 53 33.084 1.110 8.008 1.00 26.01 C ATOM 689 CG TYR A 53 33.762 1.532 6.726 1.00 26.53 C ATOM 690 CD1 TYR A 53 34.853 2.405 6.743 1.00 27.10 C ATOM 691 CD2 TYR A 53 33.319 1.058 5.494 1.00 26.89 C ATOM 692 CE1 TYR A 53 35.482 2.800 5.563 1.00 27.65 C ATOM 693 CE2 TYR A 53 33.940 1.442 4.313 1.00 27.23 C ATOM 694 CZ TYR A 53 35.015 2.310 4.348 1.00 27.42 C ATOM 695 OH TYR A 53 35.625 2.682 3.171 1.00 27.57 O ATOM 696 HA TYR A 53 34.978 0.516 8.851 1.00 0.00 H ATOM 697 HB3 TYR A 53 32.841 2.006 8.579 1.00 0.00 H ATOM 698 HB2 TYR A 53 32.165 0.583 7.753 1.00 0.00 H ATOM 699 HD2 TYR A 53 32.471 0.374 5.456 1.00 0.00 H ATOM 700 HE2 TYR A 53 33.580 1.059 3.358 1.00 0.00 H ATOM 701 HE1 TYR A 53 36.330 3.485 5.592 1.00 0.00 H ATOM 702 HD1 TYR A 53 35.219 2.784 7.697 1.00 0.00 H ATOM 703 HH TYR A 53 35.976 1.877 2.714 1.00 0.00 H ATOM 704 H TYR A 53 33.127 -1.454 7.739 1.00 0.00 H ATOM 705 N ASP A 54 34.105 1.140 11.126 1.00 24.15 N ATOM 706 CA ASP A 54 33.598 1.461 12.461 1.00 24.02 C ATOM 707 C ASP A 54 32.360 2.355 12.311 1.00 23.81 C ATOM 708 O ASP A 54 32.088 2.865 11.212 1.00 23.68 O ATOM 709 CB ASP A 54 34.689 2.105 13.342 1.00 23.91 C ATOM 710 CG ASP A 54 34.581 3.622 13.413 1.00 24.58 C ATOM 711 OD1 ASP A 54 34.696 4.280 12.363 1.00 24.79 O ATOM 712 OD2 ASP A 54 34.394 4.159 14.533 1.00 26.08 O ATOM 713 HA ASP A 54 33.309 0.545 12.976 1.00 0.00 H ATOM 714 HB2 ASP A 54 34.602 1.703 14.351 1.00 0.00 H ATOM 715 HB3 ASP A 54 35.665 1.845 12.932 1.00 0.00 H ATOM 716 H ASP A 54 34.982 1.586 10.790 1.00 0.00 H ATOM 717 N VAL A 55 31.610 2.542 13.397 1.00 23.59 N ATOM 718 CA VAL A 55 30.352 3.295 13.331 1.00 23.40 C ATOM 719 C VAL A 55 30.571 4.726 12.832 1.00 22.90 C ATOM 720 O VAL A 55 29.764 5.257 12.072 1.00 22.47 O ATOM 721 CB VAL A 55 29.598 3.307 14.689 1.00 23.78 C ATOM 722 CG1 VAL A 55 28.267 4.045 14.566 1.00 24.19 C ATOM 723 CG2 VAL A 55 29.362 1.885 15.188 1.00 24.48 C ATOM 724 HA VAL A 55 29.725 2.772 12.608 1.00 0.00 H ATOM 725 HB VAL A 55 30.221 3.833 15.412 1.00 0.00 H ATOM 726 HG11 VAL A 55 28.451 5.074 14.257 1.00 0.00 H ATOM 727 HG12 VAL A 55 27.644 3.547 13.823 1.00 0.00 H ATOM 728 HG13 VAL A 55 27.759 4.039 15.530 1.00 0.00 H ATOM 729 HG21 VAL A 55 28.764 1.340 14.458 1.00 0.00 H ATOM 730 HG22 VAL A 55 30.321 1.384 15.321 1.00 0.00 H ATOM 731 HG23 VAL A 55 28.833 1.919 16.140 1.00 0.00 H ATOM 732 H VAL A 55 31.922 2.147 14.307 1.00 0.00 H ATOM 733 N GLU A 56 31.669 5.345 13.263 1.00 22.54 N ATOM 734 CA GLU A 56 31.966 6.723 12.881 1.00 22.05 C ATOM 735 C GLU A 56 32.223 6.854 11.383 1.00 21.51 C ATOM 736 O GLU A 56 31.612 7.692 10.731 1.00 20.82 O ATOM 737 CB GLU A 56 33.139 7.267 13.689 1.00 22.29 C ATOM 738 CG GLU A 56 32.857 7.314 15.176 1.00 23.80 C ATOM 739 CD GLU A 56 34.061 7.733 15.984 1.00 25.68 C ATOM 740 OE1 GLU A 56 35.200 7.532 15.502 1.00 27.37 O ATOM 741 OE2 GLU A 56 33.869 8.255 17.104 1.00 26.53 O ATOM 742 HA GLU A 56 31.085 7.323 13.109 1.00 0.00 H ATOM 743 HB2 GLU A 56 34.005 6.628 13.519 1.00 0.00 H ATOM 744 HB3 GLU A 56 33.361 8.277 13.344 1.00 0.00 H ATOM 745 HG2 GLU A 56 32.051 8.025 15.356 1.00 0.00 H ATOM 746 HG3 GLU A 56 32.545 6.322 15.504 1.00 0.00 H ATOM 747 H GLU A 56 32.329 4.836 13.885 1.00 0.00 H ATOM 748 N ARG A 57 33.096 6.003 10.841 1.00 21.06 N ATOM 749 CA ARG A 57 33.410 6.031 9.405 1.00 20.76 C ATOM 750 C ARG A 57 32.200 5.658 8.548 1.00 20.19 C ATOM 751 O ARG A 57 31.945 6.284 7.504 1.00 20.28 O ATOM 752 CB ARG A 57 34.604 5.121 9.075 1.00 20.95 C ATOM 753 CG ARG A 57 35.936 5.540 9.696 1.00 22.87 C ATOM 754 CD ARG A 57 35.975 7.035 9.955 1.00 25.31 C ATOM 755 NE ARG A 57 37.313 7.554 10.199 1.00 28.03 N ATOM 756 CZ ARG A 57 37.561 8.790 10.617 1.00 28.86 C ATOM 757 NH1 ARG A 57 36.558 9.630 10.860 1.00 29.72 N ATOM 758 NH2 ARG A 57 38.811 9.186 10.799 1.00 29.66 N ATOM 759 HA ARG A 57 33.684 7.058 9.163 1.00 0.00 H ATOM 760 HB2 ARG A 57 34.369 4.116 9.427 1.00 0.00 H ATOM 761 HB3 ARG A 57 34.727 5.106 7.992 1.00 0.00 H ATOM 762 HG2 ARG A 57 36.070 5.012 10.640 1.00 0.00 H ATOM 763 HG3 ARG A 57 36.745 5.276 9.015 1.00 0.00 H ATOM 764 HD2 ARG A 57 35.358 7.249 10.828 1.00 0.00 H ATOM 765 HD3 ARG A 57 35.561 7.546 9.085 1.00 0.00 H ATOM 766 HE ARG A 57 38.121 6.920 10.037 1.00 0.00 H ATOM 767 HH12 ARG A 57 36.757 10.597 11.187 1.00 0.00 H ATOM 768 HH11 ARG A 57 35.575 9.320 10.723 1.00 0.00 H ATOM 769 HH22 ARG A 57 39.008 10.153 11.126 1.00 0.00 H ATOM 770 HH21 ARG A 57 39.596 8.530 10.615 1.00 0.00 H ATOM 771 H ARG A 57 33.566 5.303 11.449 1.00 0.00 H ATOM 772 N ALA A 58 31.470 4.632 8.987 1.00 19.46 N ATOM 773 CA ALA A 58 30.244 4.193 8.320 1.00 18.47 C ATOM 774 C ALA A 58 29.208 5.313 8.251 1.00 18.27 C ATOM 775 O ALA A 58 28.536 5.475 7.236 1.00 18.19 O ATOM 776 CB ALA A 58 29.661 2.948 8.996 1.00 18.36 C ATOM 777 HA ALA A 58 30.509 3.928 7.297 1.00 0.00 H ATOM 778 HB1 ALA A 58 30.390 2.138 8.954 1.00 0.00 H ATOM 779 HB2 ALA A 58 29.429 3.176 10.036 1.00 0.00 H ATOM 780 HB3 ALA A 58 28.751 2.647 8.477 1.00 0.00 H ATOM 781 H ALA A 58 31.785 4.123 9.838 1.00 0.00 H ATOM 782 N THR A 59 29.092 6.086 9.330 1.00 18.00 N ATOM 783 CA THR A 59 28.168 7.219 9.373 1.00 18.25 C ATOM 784 C THR A 59 28.489 8.300 8.341 1.00 18.22 C ATOM 785 O THR A 59 27.586 8.758 7.627 1.00 18.59 O ATOM 786 CB THR A 59 28.085 7.813 10.804 1.00 18.07 C ATOM 787 OG1 THR A 59 27.542 6.822 11.676 1.00 19.09 O ATOM 788 CG2 THR A 59 27.195 9.052 10.848 1.00 18.35 C ATOM 789 HA THR A 59 27.188 6.827 9.102 1.00 0.00 H ATOM 790 HB THR A 59 29.088 8.105 11.115 1.00 0.00 H ATOM 791 HG1 THR A 59 28.129 6.025 11.674 1.00 0.00 H ATOM 792 HG23 THR A 59 27.603 9.814 10.184 1.00 0.00 H ATOM 793 HG21 THR A 59 26.189 8.787 10.524 1.00 0.00 H ATOM 794 HG22 THR A 59 27.160 9.437 11.867 1.00 0.00 H ATOM 795 H THR A 59 29.675 5.878 10.166 1.00 0.00 H ATOM 796 N GLN A 60 29.765 8.684 8.234 1.00 18.15 N ATOM 797 CA GLN A 60 30.179 9.704 7.255 1.00 18.81 C ATOM 798 C GLN A 60 29.989 9.254 5.814 1.00 18.68 C ATOM 799 O GLN A 60 29.596 10.046 4.961 1.00 18.88 O ATOM 800 CB GLN A 60 31.632 10.144 7.452 1.00 19.46 C ATOM 801 CG GLN A 60 31.786 11.335 8.383 1.00 22.10 C ATOM 802 CD GLN A 60 31.634 10.937 9.830 1.00 25.09 C ATOM 803 OE1 GLN A 60 31.756 9.760 10.167 1.00 26.95 O ATOM 804 NE2 GLN A 60 31.368 11.909 10.699 1.00 26.20 N ATOM 805 HA GLN A 60 29.521 10.553 7.441 1.00 0.00 H ATOM 806 HB2 GLN A 60 32.193 9.307 7.868 1.00 0.00 H ATOM 807 HB3 GLN A 60 32.047 10.410 6.480 1.00 0.00 H ATOM 808 HG2 GLN A 60 32.775 11.771 8.238 1.00 0.00 H ATOM 809 HG3 GLN A 60 31.024 12.075 8.138 1.00 0.00 H ATOM 810 HE22 GLN A 60 31.273 12.891 10.368 1.00 0.00 H ATOM 811 HE21 GLN A 60 31.255 11.687 11.709 1.00 0.00 H ATOM 812 H GLN A 60 30.480 8.254 8.855 1.00 0.00 H ATOM 813 N LEU A 61 30.285 7.988 5.542 1.00 18.42 N ATOM 814 CA LEU A 61 30.098 7.478 4.189 1.00 17.98 C ATOM 815 C LEU A 61 28.624 7.440 3.828 1.00 17.41 C ATOM 816 O LEU A 61 28.263 7.714 2.681 1.00 17.24 O ATOM 817 CB LEU A 61 30.722 6.094 4.006 1.00 18.23 C ATOM 818 CG LEU A 61 31.152 5.878 2.549 1.00 20.02 C ATOM 819 CD1 LEU A 61 32.504 6.556 2.276 1.00 19.79 C ATOM 820 CD2 LEU A 61 31.226 4.408 2.213 1.00 21.70 C ATOM 821 HA LEU A 61 30.612 8.164 3.515 1.00 0.00 H ATOM 822 HB2 LEU A 61 31.595 6.007 4.653 1.00 0.00 H ATOM 823 HB3 LEU A 61 29.991 5.333 4.280 1.00 0.00 H ATOM 824 HG LEU A 61 30.397 6.334 1.909 1.00 0.00 H ATOM 825 HD21 LEU A 61 31.952 3.924 2.866 1.00 0.00 H ATOM 826 HD22 LEU A 61 30.246 3.954 2.358 1.00 0.00 H ATOM 827 HD23 LEU A 61 31.533 4.289 1.174 1.00 0.00 H ATOM 828 HD11 LEU A 61 32.417 7.626 2.463 1.00 0.00 H ATOM 829 HD12 LEU A 61 33.262 6.131 2.934 1.00 0.00 H ATOM 830 HD13 LEU A 61 32.789 6.390 1.237 1.00 0.00 H ATOM 831 H LEU A 61 30.648 7.364 6.290 1.00 0.00 H ATOM 832 N MET A 62 27.788 7.083 4.802 1.00 17.10 N ATOM 833 CA MET A 62 26.332 7.029 4.609 1.00 17.23 C ATOM 834 C MET A 62 25.816 8.428 4.305 1.00 17.09 C ATOM 835 O MET A 62 24.998 8.613 3.400 1.00 17.00 O ATOM 836 CB MET A 62 25.638 6.430 5.841 1.00 17.21 C ATOM 837 CG MET A 62 24.101 6.495 5.834 1.00 17.59 C ATOM 838 SD MET A 62 23.410 8.105 6.281 1.00 17.50 S ATOM 839 CE MET A 62 23.768 8.147 8.038 1.00 15.20 C ATOM 840 HA MET A 62 26.102 6.378 3.765 1.00 0.00 H ATOM 841 HB2 MET A 62 25.930 5.382 5.914 1.00 0.00 H ATOM 842 HB3 MET A 62 25.993 6.967 6.721 1.00 0.00 H ATOM 843 HG2 MET A 62 23.727 5.756 6.542 1.00 0.00 H ATOM 844 HG3 MET A 62 23.755 6.243 4.832 1.00 0.00 H ATOM 845 HE1 MET A 62 23.274 7.308 8.528 1.00 0.00 H ATOM 846 HE2 MET A 62 24.845 8.076 8.190 1.00 0.00 H ATOM 847 HE3 MET A 62 23.401 9.083 8.460 1.00 0.00 H ATOM 848 H MET A 62 28.180 6.834 5.732 1.00 0.00 H ATOM 849 N LEU A 63 26.295 9.409 5.068 1.00 16.97 N ATOM 850 CA LEU A 63 25.984 10.818 4.791 1.00 17.22 C ATOM 851 C LEU A 63 26.399 11.257 3.389 1.00 16.83 C ATOM 852 O LEU A 63 25.670 12.007 2.722 1.00 16.78 O ATOM 853 CB LEU A 63 26.580 11.719 5.877 1.00 17.38 C ATOM 854 CG LEU A 63 25.651 12.232 6.988 1.00 18.18 C ATOM 855 CD1 LEU A 63 24.244 11.622 6.958 1.00 18.86 C ATOM 856 CD2 LEU A 63 26.298 12.122 8.384 1.00 17.36 C ATOM 857 HA LEU A 63 24.899 10.921 4.817 1.00 0.00 H ATOM 858 HB2 LEU A 63 27.381 11.158 6.359 1.00 0.00 H ATOM 859 HB3 LEU A 63 27.000 12.592 5.378 1.00 0.00 H ATOM 860 HG LEU A 63 25.510 13.291 6.774 1.00 0.00 H ATOM 861 HD21 LEU A 63 26.533 11.078 8.593 1.00 0.00 H ATOM 862 HD22 LEU A 63 27.213 12.714 8.406 1.00 0.00 H ATOM 863 HD23 LEU A 63 25.603 12.497 9.136 1.00 0.00 H ATOM 864 HD11 LEU A 63 23.768 11.857 6.006 1.00 0.00 H ATOM 865 HD12 LEU A 63 24.316 10.540 7.072 1.00 0.00 H ATOM 866 HD13 LEU A 63 23.652 12.037 7.774 1.00 0.00 H ATOM 867 H LEU A 63 26.903 9.172 5.878 1.00 0.00 H ATOM 868 N ALA A 64 27.557 10.768 2.937 1.00 16.50 N ATOM 869 CA ALA A 64 28.031 11.007 1.585 1.00 16.24 C ATOM 870 C ALA A 64 27.066 10.422 0.566 1.00 15.71 C ATOM 871 O ALA A 64 26.717 11.090 -0.397 1.00 15.31 O ATOM 872 CB ALA A 64 29.433 10.444 1.388 1.00 16.11 C ATOM 873 HA ALA A 64 28.079 12.085 1.431 1.00 0.00 H ATOM 874 HB1 ALA A 64 30.117 10.923 2.088 1.00 0.00 H ATOM 875 HB2 ALA A 64 29.420 9.369 1.569 1.00 0.00 H ATOM 876 HB3 ALA A 64 29.761 10.638 0.367 1.00 0.00 H ATOM 877 H ALA A 64 28.142 10.194 3.578 1.00 0.00 H ATOM 878 N VAL A 65 26.646 9.174 0.778 1.00 15.18 N ATOM 879 CA VAL A 65 25.620 8.550 -0.082 1.00 15.32 C ATOM 880 C VAL A 65 24.390 9.472 -0.207 1.00 15.08 C ATOM 881 O VAL A 65 23.975 9.813 -1.320 1.00 14.77 O ATOM 882 CB VAL A 65 25.224 7.113 0.414 1.00 15.08 C ATOM 883 CG1 VAL A 65 24.052 6.527 -0.404 1.00 15.78 C ATOM 884 CG2 VAL A 65 26.421 6.162 0.377 1.00 15.25 C ATOM 885 HA VAL A 65 26.051 8.422 -1.075 1.00 0.00 H ATOM 886 HB VAL A 65 24.896 7.216 1.448 1.00 0.00 H ATOM 887 HG11 VAL A 65 23.182 7.176 -0.306 1.00 0.00 H ATOM 888 HG12 VAL A 65 24.340 6.460 -1.453 1.00 0.00 H ATOM 889 HG13 VAL A 65 23.810 5.533 -0.029 1.00 0.00 H ATOM 890 HG21 VAL A 65 26.792 6.086 -0.645 1.00 0.00 H ATOM 891 HG22 VAL A 65 27.210 6.547 1.023 1.00 0.00 H ATOM 892 HG23 VAL A 65 26.112 5.177 0.726 1.00 0.00 H ATOM 893 H VAL A 65 27.050 8.628 1.566 1.00 0.00 H ATOM 894 N HIS A 66 23.859 9.914 0.935 1.00 15.18 N ATOM 895 CA HIS A 66 22.624 10.694 0.995 1.00 15.96 C ATOM 896 C HIS A 66 22.771 12.060 0.326 1.00 16.01 C ATOM 897 O HIS A 66 21.949 12.440 -0.505 1.00 16.87 O ATOM 898 CB HIS A 66 22.174 10.851 2.460 1.00 15.78 C ATOM 899 CG HIS A 66 20.881 11.587 2.629 1.00 17.66 C ATOM 900 ND1 HIS A 66 20.824 12.924 2.973 1.00 20.41 N ATOM 901 CD2 HIS A 66 19.598 11.187 2.473 1.00 18.85 C ATOM 902 CE1 HIS A 66 19.561 13.308 3.036 1.00 19.68 C ATOM 903 NE2 HIS A 66 18.797 12.273 2.739 1.00 21.11 N ATOM 904 HA HIS A 66 21.860 10.150 0.439 1.00 0.00 H ATOM 905 HB2 HIS A 66 22.061 9.857 2.892 1.00 0.00 H ATOM 906 HB3 HIS A 66 22.950 11.394 3.000 1.00 0.00 H ATOM 907 HD2 HIS A 66 19.262 10.190 2.189 1.00 0.00 H ATOM 908 HE1 HIS A 66 19.210 14.308 3.290 1.00 0.00 H ATOM 909 H HIS A 66 24.348 9.693 1.826 1.00 0.00 H ATOM 910 N TYR A 67 23.834 12.772 0.679 1.00 16.28 N ATOM 911 CA TYR A 67 24.031 14.163 0.232 1.00 16.56 C ATOM 912 C TYR A 67 24.750 14.329 -1.113 1.00 17.00 C ATOM 913 O TYR A 67 24.482 15.287 -1.854 1.00 17.24 O ATOM 914 CB TYR A 67 24.705 14.971 1.340 1.00 16.20 C ATOM 915 CG TYR A 67 23.747 15.289 2.456 1.00 16.41 C ATOM 916 CD1 TYR A 67 22.625 16.093 2.217 1.00 16.25 C ATOM 917 CD2 TYR A 67 23.945 14.797 3.746 1.00 16.93 C ATOM 918 CE1 TYR A 67 21.718 16.382 3.226 1.00 15.57 C ATOM 919 CE2 TYR A 67 23.033 15.087 4.772 1.00 16.37 C ATOM 920 CZ TYR A 67 21.924 15.885 4.491 1.00 16.40 C ATOM 921 OH TYR A 67 21.012 16.207 5.470 1.00 17.43 O ATOM 922 HA TYR A 67 23.034 14.557 0.037 1.00 0.00 H ATOM 923 HB3 TYR A 67 25.080 15.904 0.919 1.00 0.00 H ATOM 924 HB2 TYR A 67 25.538 14.394 1.742 1.00 0.00 H ATOM 925 HD2 TYR A 67 24.818 14.180 3.959 1.00 0.00 H ATOM 926 HE2 TYR A 67 23.189 14.694 5.776 1.00 0.00 H ATOM 927 HE1 TYR A 67 20.845 17.001 3.017 1.00 0.00 H ATOM 928 HD1 TYR A 67 22.462 16.499 1.219 1.00 0.00 H ATOM 929 HH TYR A 67 20.301 16.776 5.082 1.00 0.00 H ATOM 930 H TYR A 67 24.552 12.334 1.291 1.00 0.00 H ATOM 931 N GLN A 68 25.657 13.404 -1.425 1.00 17.57 N ATOM 932 CA GLN A 68 26.424 13.464 -2.669 1.00 18.07 C ATOM 933 C GLN A 68 25.809 12.670 -3.821 1.00 18.18 C ATOM 934 O GLN A 68 26.115 12.935 -4.990 1.00 18.44 O ATOM 935 CB GLN A 68 27.881 13.034 -2.446 1.00 18.05 C ATOM 936 CG GLN A 68 28.604 13.837 -1.363 1.00 18.74 C ATOM 937 CD GLN A 68 30.086 13.488 -1.224 1.00 18.78 C ATOM 938 OE1 GLN A 68 30.707 12.968 -2.145 1.00 21.63 O ATOM 939 NE2 GLN A 68 30.653 13.788 -0.069 1.00 19.93 N ATOM 940 HA GLN A 68 26.396 14.511 -2.970 1.00 0.00 H ATOM 941 HB2 GLN A 68 27.889 11.983 -2.158 1.00 0.00 H ATOM 942 HB3 GLN A 68 28.423 13.156 -3.384 1.00 0.00 H ATOM 943 HG2 GLN A 68 28.521 14.896 -1.607 1.00 0.00 H ATOM 944 HG3 GLN A 68 28.114 13.646 -0.408 1.00 0.00 H ATOM 945 HE22 GLN A 68 30.091 14.229 0.687 1.00 0.00 H ATOM 946 HE21 GLN A 68 31.661 13.584 0.084 1.00 0.00 H ATOM 947 H GLN A 68 25.824 12.617 -0.766 1.00 0.00 H ATOM 948 N GLY A 69 24.975 11.681 -3.493 1.00 19.02 N ATOM 949 CA GLY A 69 24.285 10.867 -4.499 1.00 18.85 C ATOM 950 C GLY A 69 24.797 9.436 -4.562 1.00 18.83 C ATOM 951 O GLY A 69 24.082 8.525 -4.979 1.00 18.45 O ATOM 952 HA3 GLY A 69 24.426 11.329 -5.476 1.00 0.00 H ATOM 953 HA2 GLY A 69 23.222 10.845 -4.259 1.00 0.00 H ATOM 954 H GLY A 69 24.808 11.480 -2.486 1.00 0.00 H ATOM 955 N LYS A 70 26.054 9.261 -4.154 1.00 18.88 N ATOM 956 CA LYS A 70 26.731 7.976 -4.153 1.00 19.03 C ATOM 957 C LYS A 70 27.978 8.114 -3.286 1.00 18.64 C ATOM 958 O LYS A 70 28.423 9.234 -3.008 1.00 19.14 O ATOM 959 CB LYS A 70 27.133 7.569 -5.578 1.00 19.28 C ATOM 960 CG LYS A 70 28.276 8.380 -6.184 1.00 19.73 C ATOM 961 CD LYS A 70 28.422 8.121 -7.673 1.00 20.75 C ATOM 962 CE LYS A 70 29.503 9.014 -8.267 1.00 23.61 C ATOM 963 NZ LYS A 70 29.519 8.972 -9.757 1.00 25.17 N ATOM 964 HA LYS A 70 26.066 7.206 -3.762 1.00 0.00 H ATOM 965 HB2 LYS A 70 27.435 6.522 -5.558 1.00 0.00 H ATOM 966 HB3 LYS A 70 26.260 7.682 -6.221 1.00 0.00 H ATOM 967 HG2 LYS A 70 28.079 9.440 -6.027 1.00 0.00 H ATOM 968 HG3 LYS A 70 29.206 8.107 -5.685 1.00 0.00 H ATOM 969 HD2 LYS A 70 28.692 7.077 -7.831 1.00 0.00 H ATOM 970 HD3 LYS A 70 27.473 8.328 -8.168 1.00 0.00 H ATOM 971 HE2 LYS A 70 30.473 8.683 -7.897 1.00 0.00 H ATOM 972 HE3 LYS A 70 29.324 10.041 -7.947 1.00 0.00 H ATOM 973 HZ1 LYS A 70 29.697 7.997 -10.073 1.00 0.00 H ATOM 974 HZ2 LYS A 70 28.600 9.294 -10.122 1.00 0.00 H ATOM 975 HZ3 LYS A 70 30.272 9.596 -10.112 1.00 0.00 H ATOM 976 H LYS A 70 26.580 10.092 -3.817 1.00 0.00 H ATOM 977 N ALA A 71 28.524 6.986 -2.847 1.00 18.06 N ATOM 978 CA ALA A 71 29.849 6.991 -2.221 1.00 17.83 C ATOM 979 C ALA A 71 30.643 5.718 -2.487 1.00 18.04 C ATOM 980 O ALA A 71 30.076 4.644 -2.665 1.00 17.37 O ATOM 981 CB ALA A 71 29.739 7.238 -0.744 1.00 17.65 C ATOM 982 HA ALA A 71 30.402 7.808 -2.684 1.00 0.00 H ATOM 983 HB1 ALA A 71 29.265 8.204 -0.573 1.00 0.00 H ATOM 984 HB2 ALA A 71 29.137 6.451 -0.289 1.00 0.00 H ATOM 985 HB3 ALA A 71 30.735 7.237 -0.302 1.00 0.00 H ATOM 986 H ALA A 71 28.006 6.090 -2.948 1.00 0.00 H ATOM 987 N ILE A 72 31.968 5.861 -2.504 1.00 18.31 N ATOM 988 CA ILE A 72 32.872 4.723 -2.694 1.00 18.57 C ATOM 989 C ILE A 72 33.130 4.014 -1.351 1.00 18.47 C ATOM 990 O ILE A 72 33.546 4.651 -0.366 1.00 18.89 O ATOM 991 CB ILE A 72 34.195 5.179 -3.394 1.00 18.84 C ATOM 992 CG1 ILE A 72 33.884 5.889 -4.723 1.00 19.02 C ATOM 993 CG2 ILE A 72 35.144 3.997 -3.616 1.00 18.60 C ATOM 994 CD1 ILE A 72 34.905 6.945 -5.139 1.00 19.54 C ATOM 995 HA ILE A 72 32.399 3.997 -3.356 1.00 0.00 H ATOM 996 HB ILE A 72 34.698 5.886 -2.734 1.00 0.00 H ATOM 997 HG12 ILE A 72 33.837 5.134 -5.508 1.00 0.00 H ATOM 998 HG13 ILE A 72 32.913 6.375 -4.629 1.00 0.00 H ATOM 999 HD11 ILE A 72 34.958 7.719 -4.373 1.00 0.00 H ATOM 1000 HD12 ILE A 72 35.883 6.478 -5.253 1.00 0.00 H ATOM 1001 HD13 ILE A 72 34.601 7.390 -6.087 1.00 0.00 H ATOM 1002 HG21 ILE A 72 35.396 3.550 -2.655 1.00 0.00 H ATOM 1003 HG22 ILE A 72 34.656 3.254 -4.247 1.00 0.00 H ATOM 1004 HG23 ILE A 72 36.053 4.349 -4.104 1.00 0.00 H ATOM 1005 H ILE A 72 32.373 6.810 -2.378 1.00 0.00 H ATOM 1006 N CYS A 73 32.857 2.707 -1.308 1.00 18.14 N ATOM 1007 CA CYS A 73 33.053 1.875 -0.107 1.00 18.31 C ATOM 1008 C CYS A 73 34.485 1.374 0.062 1.00 17.18 C ATOM 1009 O CYS A 73 34.909 1.028 1.166 1.00 17.09 O ATOM 1010 CB CYS A 73 32.146 0.650 -0.156 1.00 18.69 C ATOM 1011 SG CYS A 73 30.397 0.992 -0.302 1.00 22.55 S ATOM 1012 HA CYS A 73 32.812 2.524 0.735 1.00 0.00 H ATOM 1013 HB2 CYS A 73 32.302 0.080 0.760 1.00 0.00 H ATOM 1014 HB3 CYS A 73 32.443 0.046 -1.013 1.00 0.00 H ATOM 1015 HG CYS A 73 29.698 -0.198 -0.335 1.00 0.00 H ATOM 1016 H CYS A 73 32.487 2.253 -2.167 1.00 0.00 H ATOM 1017 N GLY A 74 35.192 1.265 -1.057 1.00 16.59 N ATOM 1018 CA GLY A 74 36.589 0.883 -1.071 1.00 15.54 C ATOM 1019 C GLY A 74 36.963 0.484 -2.482 1.00 15.34 C ATOM 1020 O GLY A 74 36.144 0.585 -3.397 1.00 14.90 O ATOM 1021 HA3 GLY A 74 36.747 0.042 -0.396 1.00 0.00 H ATOM 1022 HA2 GLY A 74 37.204 1.724 -0.751 1.00 0.00 H ATOM 1023 H GLY A 74 34.722 1.463 -1.963 1.00 0.00 H ATOM 1024 N VAL A 75 38.200 0.026 -2.652 1.00 14.46 N ATOM 1025 CA VAL A 75 38.715 -0.321 -3.979 1.00 14.01 C ATOM 1026 C VAL A 75 39.313 -1.725 -3.925 1.00 14.23 C ATOM 1027 O VAL A 75 40.123 -2.020 -3.057 1.00 14.05 O ATOM 1028 CB VAL A 75 39.750 0.715 -4.489 1.00 14.19 C ATOM 1029 CG1 VAL A 75 40.390 0.256 -5.788 1.00 12.93 C ATOM 1030 CG2 VAL A 75 39.080 2.075 -4.703 1.00 14.19 C ATOM 1031 HA VAL A 75 37.891 -0.304 -4.692 1.00 0.00 H ATOM 1032 HB VAL A 75 40.528 0.808 -3.731 1.00 0.00 H ATOM 1033 HG11 VAL A 75 40.899 -0.694 -5.625 1.00 0.00 H ATOM 1034 HG12 VAL A 75 39.618 0.131 -6.547 1.00 0.00 H ATOM 1035 HG13 VAL A 75 41.111 1.003 -6.120 1.00 0.00 H ATOM 1036 HG21 VAL A 75 38.284 1.974 -5.440 1.00 0.00 H ATOM 1037 HG22 VAL A 75 38.661 2.425 -3.759 1.00 0.00 H ATOM 1038 HG23 VAL A 75 39.820 2.791 -5.061 1.00 0.00 H ATOM 1039 H VAL A 75 38.817 -0.089 -1.823 1.00 0.00 H ATOM 1040 N PHE A 76 38.914 -2.576 -4.870 1.00 13.72 N ATOM 1041 CA PHE A 76 39.173 -4.010 -4.764 1.00 13.61 C ATOM 1042 C PHE A 76 39.543 -4.554 -6.126 1.00 13.78 C ATOM 1043 O PHE A 76 39.317 -3.897 -7.133 1.00 14.24 O ATOM 1044 CB PHE A 76 37.928 -4.759 -4.229 1.00 13.72 C ATOM 1045 CG PHE A 76 37.347 -4.170 -2.975 1.00 13.07 C ATOM 1046 CD1 PHE A 76 36.284 -3.266 -3.044 1.00 13.43 C ATOM 1047 CD2 PHE A 76 37.863 -4.504 -1.727 1.00 13.91 C ATOM 1048 CE1 PHE A 76 35.732 -2.711 -1.887 1.00 13.31 C ATOM 1049 CE2 PHE A 76 37.336 -3.947 -0.564 1.00 15.19 C ATOM 1050 CZ PHE A 76 36.260 -3.046 -0.641 1.00 13.85 C ATOM 1051 HA PHE A 76 39.995 -4.164 -4.064 1.00 0.00 H ATOM 1052 HB2 PHE A 76 37.160 -4.742 -5.002 1.00 0.00 H ATOM 1053 HB3 PHE A 76 38.212 -5.791 -4.023 1.00 0.00 H ATOM 1054 HD2 PHE A 76 38.690 -5.211 -1.658 1.00 0.00 H ATOM 1055 HE2 PHE A 76 37.758 -4.210 0.406 1.00 0.00 H ATOM 1056 HZ PHE A 76 35.841 -2.612 0.267 1.00 0.00 H ATOM 1057 HE1 PHE A 76 34.893 -2.019 -1.958 1.00 0.00 H ATOM 1058 HD1 PHE A 76 35.879 -2.989 -4.017 1.00 0.00 H ATOM 1059 H PHE A 76 38.407 -2.211 -5.701 1.00 0.00 H ATOM 1060 N THR A 77 40.128 -5.749 -6.145 1.00 14.80 N ATOM 1061 CA THR A 77 40.348 -6.474 -7.386 1.00 14.68 C ATOM 1062 C THR A 77 38.986 -6.749 -8.026 1.00 14.93 C ATOM 1063 O THR A 77 37.971 -6.795 -7.332 1.00 14.41 O ATOM 1064 CB THR A 77 41.071 -7.824 -7.143 1.00 15.34 C ATOM 1065 OG1 THR A 77 40.235 -8.708 -6.378 1.00 15.80 O ATOM 1066 CG2 THR A 77 42.393 -7.613 -6.414 1.00 14.66 C ATOM 1067 HA THR A 77 40.980 -5.868 -8.036 1.00 0.00 H ATOM 1068 HB THR A 77 41.277 -8.272 -8.115 1.00 0.00 H ATOM 1069 HG1 THR A 77 39.394 -8.876 -6.873 1.00 0.00 H ATOM 1070 HG23 THR A 77 43.025 -6.942 -6.997 1.00 0.00 H ATOM 1071 HG21 THR A 77 42.201 -7.174 -5.435 1.00 0.00 H ATOM 1072 HG22 THR A 77 42.896 -8.572 -6.291 1.00 0.00 H ATOM 1073 H THR A 77 40.436 -6.176 -5.248 1.00 0.00 H ATOM 1074 N ALA A 78 38.960 -6.936 -9.345 1.00 15.78 N ATOM 1075 CA ALA A 78 37.711 -7.250 -10.039 1.00 16.04 C ATOM 1076 C ALA A 78 36.908 -8.355 -9.340 1.00 16.32 C ATOM 1077 O ALA A 78 35.697 -8.223 -9.153 1.00 16.99 O ATOM 1078 CB ALA A 78 37.992 -7.646 -11.514 1.00 16.64 C ATOM 1079 HA ALA A 78 37.103 -6.346 -10.015 1.00 0.00 H ATOM 1080 HB1 ALA A 78 38.482 -6.817 -12.024 1.00 0.00 H ATOM 1081 HB2 ALA A 78 38.640 -8.522 -11.536 1.00 0.00 H ATOM 1082 HB3 ALA A 78 37.050 -7.876 -12.013 1.00 0.00 H ATOM 1083 H ALA A 78 39.842 -6.857 -9.890 1.00 0.00 H ATOM 1084 N GLU A 79 37.594 -9.433 -8.962 1.00 16.34 N ATOM 1085 CA GLU A 79 36.972 -10.638 -8.419 1.00 16.93 C ATOM 1086 C GLU A 79 36.323 -10.372 -7.070 1.00 16.36 C ATOM 1087 O GLU A 79 35.181 -10.764 -6.829 1.00 16.43 O ATOM 1088 CB GLU A 79 38.026 -11.738 -8.282 1.00 17.64 C ATOM 1089 CG GLU A 79 37.482 -13.113 -7.984 1.00 21.00 C ATOM 1090 CD GLU A 79 38.351 -14.198 -8.599 1.00 24.29 C ATOM 1091 OE1 GLU A 79 38.278 -14.399 -9.837 1.00 26.27 O ATOM 1092 OE2 GLU A 79 39.111 -14.845 -7.848 1.00 26.13 O ATOM 1093 HA GLU A 79 36.189 -10.957 -9.107 1.00 0.00 H ATOM 1094 HB2 GLU A 79 38.583 -11.791 -9.217 1.00 0.00 H ATOM 1095 HB3 GLU A 79 38.702 -11.460 -7.473 1.00 0.00 H ATOM 1096 HG2 GLU A 79 37.448 -13.255 -6.904 1.00 0.00 H ATOM 1097 HG3 GLU A 79 36.474 -13.192 -8.391 1.00 0.00 H ATOM 1098 H GLU A 79 38.629 -9.415 -9.059 1.00 0.00 H ATOM 1099 N VAL A 80 37.064 -9.690 -6.205 1.00 15.90 N ATOM 1100 CA VAL A 80 36.563 -9.331 -4.882 1.00 15.38 C ATOM 1101 C VAL A 80 35.443 -8.296 -4.981 1.00 15.42 C ATOM 1102 O VAL A 80 34.442 -8.390 -4.272 1.00 14.26 O ATOM 1103 CB VAL A 80 37.701 -8.877 -3.949 1.00 15.29 C ATOM 1104 CG1 VAL A 80 37.140 -8.342 -2.618 1.00 14.53 C ATOM 1105 CG2 VAL A 80 38.669 -10.034 -3.697 1.00 14.86 C ATOM 1106 HA VAL A 80 36.133 -10.226 -4.432 1.00 0.00 H ATOM 1107 HB VAL A 80 38.243 -8.066 -4.436 1.00 0.00 H ATOM 1108 HG11 VAL A 80 36.488 -7.491 -2.816 1.00 0.00 H ATOM 1109 HG12 VAL A 80 36.572 -9.129 -2.122 1.00 0.00 H ATOM 1110 HG13 VAL A 80 37.964 -8.028 -1.978 1.00 0.00 H ATOM 1111 HG21 VAL A 80 38.132 -10.860 -3.231 1.00 0.00 H ATOM 1112 HG22 VAL A 80 39.094 -10.364 -4.645 1.00 0.00 H ATOM 1113 HG23 VAL A 80 39.469 -9.700 -3.036 1.00 0.00 H ATOM 1114 H VAL A 80 38.026 -9.404 -6.477 1.00 0.00 H ATOM 1115 N ALA A 81 35.589 -7.334 -5.891 1.00 15.74 N ATOM 1116 CA ALA A 81 34.572 -6.297 -6.088 1.00 16.27 C ATOM 1117 C ALA A 81 33.202 -6.874 -6.495 1.00 16.57 C ATOM 1118 O ALA A 81 32.161 -6.459 -5.983 1.00 15.93 O ATOM 1119 CB ALA A 81 35.059 -5.279 -7.091 1.00 16.14 C ATOM 1120 HA ALA A 81 34.418 -5.804 -5.128 1.00 0.00 H ATOM 1121 HB1 ALA A 81 35.975 -4.818 -6.723 1.00 0.00 H ATOM 1122 HB2 ALA A 81 35.256 -5.774 -8.042 1.00 0.00 H ATOM 1123 HB3 ALA A 81 34.296 -4.513 -7.230 1.00 0.00 H ATOM 1124 H ALA A 81 36.448 -7.318 -6.477 1.00 0.00 H ATOM 1125 N GLU A 82 33.210 -7.839 -7.410 1.00 17.11 N ATOM 1126 CA GLU A 82 31.969 -8.502 -7.834 1.00 18.15 C ATOM 1127 C GLU A 82 31.319 -9.280 -6.684 1.00 18.11 C ATOM 1128 O GLU A 82 30.089 -9.368 -6.583 1.00 18.83 O ATOM 1129 CB GLU A 82 32.240 -9.414 -9.031 1.00 18.15 C ATOM 1130 CG GLU A 82 32.679 -8.675 -10.294 1.00 19.34 C ATOM 1131 CD GLU A 82 32.723 -9.571 -11.532 1.00 19.84 C ATOM 1132 OE1 GLU A 82 32.341 -10.769 -11.447 1.00 22.31 O ATOM 1133 OE2 GLU A 82 33.120 -9.065 -12.604 1.00 21.66 O ATOM 1134 HA GLU A 82 31.262 -7.730 -8.137 1.00 0.00 H ATOM 1135 HB2 GLU A 82 33.026 -10.117 -8.755 1.00 0.00 H ATOM 1136 HB3 GLU A 82 31.326 -9.964 -9.256 1.00 0.00 H ATOM 1137 HG2 GLU A 82 31.979 -7.861 -10.480 1.00 0.00 H ATOM 1138 HG3 GLU A 82 33.675 -8.265 -10.127 1.00 0.00 H ATOM 1139 H GLU A 82 34.114 -8.131 -7.834 1.00 0.00 H ATOM 1140 N THR A 83 32.157 -9.823 -5.806 1.00 17.59 N ATOM 1141 CA THR A 83 31.713 -10.545 -4.616 1.00 17.62 C ATOM 1142 C THR A 83 31.037 -9.614 -3.596 1.00 17.05 C ATOM 1143 O THR A 83 29.976 -9.956 -3.038 1.00 16.83 O ATOM 1144 CB THR A 83 32.890 -11.351 -4.002 1.00 18.08 C ATOM 1145 OG1 THR A 83 33.411 -12.244 -4.999 1.00 19.00 O ATOM 1146 CG2 THR A 83 32.417 -12.176 -2.835 1.00 18.22 C ATOM 1147 HA THR A 83 30.947 -11.260 -4.917 1.00 0.00 H ATOM 1148 HB THR A 83 33.654 -10.650 -3.664 1.00 0.00 H ATOM 1149 HG1 THR A 83 33.732 -11.719 -5.775 1.00 0.00 H ATOM 1150 HG23 THR A 83 32.017 -11.517 -2.064 1.00 0.00 H ATOM 1151 HG21 THR A 83 31.639 -12.862 -3.169 1.00 0.00 H ATOM 1152 HG22 THR A 83 33.255 -12.744 -2.430 1.00 0.00 H ATOM 1153 H THR A 83 33.179 -9.729 -5.975 1.00 0.00 H ATOM 1154 N LYS A 84 31.609 -8.422 -3.399 1.00 16.10 N ATOM 1155 CA LYS A 84 31.035 -7.425 -2.477 1.00 15.97 C ATOM 1156 C LYS A 84 29.689 -6.948 -2.989 1.00 15.31 C ATOM 1157 O LYS A 84 28.734 -6.837 -2.219 1.00 15.12 O ATOM 1158 CB LYS A 84 31.962 -6.217 -2.286 1.00 15.98 C ATOM 1159 CG LYS A 84 33.324 -6.524 -1.674 1.00 16.08 C ATOM 1160 CD LYS A 84 33.240 -6.778 -0.185 1.00 17.55 C ATOM 1161 CE LYS A 84 34.592 -6.523 0.482 1.00 17.40 C ATOM 1162 NZ LYS A 84 34.530 -6.794 1.944 1.00 20.96 N ATOM 1163 HA LYS A 84 30.913 -7.915 -1.511 1.00 0.00 H ATOM 1164 HB2 LYS A 84 32.127 -5.763 -3.263 1.00 0.00 H ATOM 1165 HB3 LYS A 84 31.455 -5.504 -1.636 1.00 0.00 H ATOM 1166 HG2 LYS A 84 33.735 -7.410 -2.158 1.00 0.00 H ATOM 1167 HG3 LYS A 84 33.986 -5.676 -1.848 1.00 0.00 H ATOM 1168 HD2 LYS A 84 32.494 -6.113 0.251 1.00 0.00 H ATOM 1169 HD3 LYS A 84 32.946 -7.813 -0.014 1.00 0.00 H ATOM 1170 HE2 LYS A 84 34.876 -5.482 0.325 1.00 0.00 H ATOM 1171 HE3 LYS A 84 35.340 -7.175 0.031 1.00 0.00 H ATOM 1172 HZ1 LYS A 84 33.821 -6.171 2.381 1.00 0.00 H ATOM 1173 HZ2 LYS A 84 34.264 -7.787 2.100 1.00 0.00 H ATOM 1174 HZ3 LYS A 84 35.462 -6.612 2.369 1.00 0.00 H ATOM 1175 H LYS A 84 32.484 -8.191 -3.911 1.00 0.00 H ATOM 1176 N VAL A 85 29.613 -6.697 -4.298 1.00 15.03 N ATOM 1177 CA VAL A 85 28.385 -6.200 -4.917 1.00 14.82 C ATOM 1178 C VAL A 85 27.280 -7.231 -4.752 1.00 15.10 C ATOM 1179 O VAL A 85 26.173 -6.891 -4.325 1.00 14.15 O ATOM 1180 CB VAL A 85 28.604 -5.842 -6.406 1.00 15.07 C ATOM 1181 CG1 VAL A 85 27.287 -5.782 -7.183 1.00 14.57 C ATOM 1182 CG2 VAL A 85 29.319 -4.501 -6.501 1.00 14.09 C ATOM 1183 HA VAL A 85 28.087 -5.280 -4.413 1.00 0.00 H ATOM 1184 HB VAL A 85 29.212 -6.628 -6.854 1.00 0.00 H ATOM 1185 HG11 VAL A 85 26.794 -6.753 -7.135 1.00 0.00 H ATOM 1186 HG12 VAL A 85 26.641 -5.023 -6.742 1.00 0.00 H ATOM 1187 HG13 VAL A 85 27.491 -5.527 -8.223 1.00 0.00 H ATOM 1188 HG21 VAL A 85 28.710 -3.732 -6.026 1.00 0.00 H ATOM 1189 HG22 VAL A 85 30.282 -4.568 -5.996 1.00 0.00 H ATOM 1190 HG23 VAL A 85 29.474 -4.247 -7.550 1.00 0.00 H ATOM 1191 H VAL A 85 30.450 -6.859 -4.894 1.00 0.00 H ATOM 1192 N ALA A 86 27.587 -8.484 -5.090 1.00 15.04 N ATOM 1193 CA ALA A 86 26.617 -9.572 -4.928 1.00 15.27 C ATOM 1194 C ALA A 86 26.066 -9.614 -3.488 1.00 15.91 C ATOM 1195 O ALA A 86 24.848 -9.653 -3.290 1.00 16.31 O ATOM 1196 CB ALA A 86 27.234 -10.910 -5.323 1.00 15.81 C ATOM 1197 HA ALA A 86 25.778 -9.380 -5.596 1.00 0.00 H ATOM 1198 HB1 ALA A 86 27.548 -10.870 -6.366 1.00 0.00 H ATOM 1199 HB2 ALA A 86 28.098 -11.111 -4.690 1.00 0.00 H ATOM 1200 HB3 ALA A 86 26.496 -11.701 -5.194 1.00 0.00 H ATOM 1201 H ALA A 86 28.530 -8.693 -5.475 1.00 0.00 H ATOM 1202 N MET A 87 26.960 -9.589 -2.498 1.00 15.66 N ATOM 1203 CA MET A 87 26.571 -9.724 -1.089 1.00 16.36 C ATOM 1204 C MET A 87 25.735 -8.572 -0.564 1.00 15.50 C ATOM 1205 O MET A 87 24.735 -8.787 0.127 1.00 15.36 O ATOM 1206 CB MET A 87 27.803 -9.923 -0.197 1.00 16.38 C ATOM 1207 CG MET A 87 28.433 -11.299 -0.319 1.00 18.20 C ATOM 1208 SD MET A 87 29.911 -11.504 0.691 1.00 19.82 S ATOM 1209 CE MET A 87 29.383 -11.178 2.352 1.00 21.01 C ATOM 1210 HA MET A 87 25.937 -10.609 -1.049 1.00 0.00 H ATOM 1211 HB2 MET A 87 28.550 -9.178 -0.471 1.00 0.00 H ATOM 1212 HB3 MET A 87 27.504 -9.772 0.840 1.00 0.00 H ATOM 1213 HG2 MET A 87 28.702 -11.465 -1.362 1.00 0.00 H ATOM 1214 HG3 MET A 87 27.699 -12.044 -0.012 1.00 0.00 H ATOM 1215 HE1 MET A 87 28.991 -10.163 2.415 1.00 0.00 H ATOM 1216 HE2 MET A 87 28.604 -11.888 2.630 1.00 0.00 H ATOM 1217 HE3 MET A 87 30.231 -11.283 3.029 1.00 0.00 H ATOM 1218 H MET A 87 27.966 -9.470 -2.732 1.00 0.00 H ATOM 1219 N VAL A 88 26.145 -7.348 -0.896 1.00 14.63 N ATOM 1220 CA VAL A 88 25.460 -6.163 -0.396 1.00 13.41 C ATOM 1221 C VAL A 88 24.048 -6.081 -0.990 1.00 13.16 C ATOM 1222 O VAL A 88 23.065 -5.861 -0.281 1.00 13.58 O ATOM 1223 CB VAL A 88 26.255 -4.890 -0.708 1.00 13.26 C ATOM 1224 CG1 VAL A 88 25.430 -3.673 -0.320 1.00 12.81 C ATOM 1225 CG2 VAL A 88 27.561 -4.896 0.088 1.00 12.84 C ATOM 1226 HA VAL A 88 25.381 -6.245 0.688 1.00 0.00 H ATOM 1227 HB VAL A 88 26.481 -4.853 -1.774 1.00 0.00 H ATOM 1228 HG11 VAL A 88 24.499 -3.671 -0.888 1.00 0.00 H ATOM 1229 HG12 VAL A 88 25.207 -3.712 0.746 1.00 0.00 H ATOM 1230 HG13 VAL A 88 25.995 -2.767 -0.542 1.00 0.00 H ATOM 1231 HG21 VAL A 88 27.335 -4.932 1.154 1.00 0.00 H ATOM 1232 HG22 VAL A 88 28.150 -5.770 -0.190 1.00 0.00 H ATOM 1233 HG23 VAL A 88 28.125 -3.990 -0.135 1.00 0.00 H ATOM 1234 H VAL A 88 26.968 -7.237 -1.522 1.00 0.00 H ATOM 1235 N ASN A 89 23.952 -6.284 -2.294 1.00 12.75 N ATOM 1236 CA ASN A 89 22.647 -6.320 -2.948 1.00 12.49 C ATOM 1237 C ASN A 89 21.721 -7.418 -2.401 1.00 12.97 C ATOM 1238 O ASN A 89 20.521 -7.186 -2.212 1.00 13.29 O ATOM 1239 CB ASN A 89 22.848 -6.440 -4.466 1.00 12.87 C ATOM 1240 CG ASN A 89 23.306 -5.141 -5.101 1.00 12.51 C ATOM 1241 OD1 ASN A 89 22.965 -4.050 -4.646 1.00 14.77 O ATOM 1242 ND2 ASN A 89 24.066 -5.253 -6.177 1.00 14.21 N ATOM 1243 HA ASN A 89 22.133 -5.385 -2.723 1.00 0.00 H ATOM 1244 HB2 ASN A 89 23.599 -7.206 -4.659 1.00 0.00 H ATOM 1245 HB3 ASN A 89 21.903 -6.736 -4.921 1.00 0.00 H ATOM 1246 HD22 ASN A 89 24.332 -6.194 -6.530 1.00 0.00 H ATOM 1247 HD21 ASN A 89 24.398 -4.400 -6.671 1.00 0.00 H ATOM 1248 H ASN A 89 24.815 -6.419 -2.859 1.00 0.00 H ATOM 1249 N LYS A 90 22.272 -8.602 -2.136 1.00 13.30 N ATOM 1250 CA LYS A 90 21.503 -9.702 -1.559 1.00 13.86 C ATOM 1251 C LYS A 90 20.962 -9.310 -0.190 1.00 13.70 C ATOM 1252 O LYS A 90 19.768 -9.458 0.087 1.00 13.89 O ATOM 1253 CB LYS A 90 22.360 -10.967 -1.445 1.00 14.42 C ATOM 1254 CG LYS A 90 21.658 -12.158 -0.798 1.00 15.47 C ATOM 1255 CD LYS A 90 20.390 -12.538 -1.556 1.00 17.92 C ATOM 1256 CE LYS A 90 19.506 -13.447 -0.738 1.00 19.60 C ATOM 1257 NZ LYS A 90 18.305 -13.871 -1.517 1.00 20.61 N ATOM 1258 HA LYS A 90 20.665 -9.914 -2.222 1.00 0.00 H ATOM 1259 HB2 LYS A 90 22.669 -11.259 -2.448 1.00 0.00 H ATOM 1260 HB3 LYS A 90 23.241 -10.728 -0.850 1.00 0.00 H ATOM 1261 HG2 LYS A 90 22.337 -13.010 -0.793 1.00 0.00 H ATOM 1262 HG3 LYS A 90 21.394 -11.900 0.228 1.00 0.00 H ATOM 1263 HD2 LYS A 90 19.837 -11.631 -1.799 1.00 0.00 H ATOM 1264 HD3 LYS A 90 20.668 -13.050 -2.477 1.00 0.00 H ATOM 1265 HE2 LYS A 90 19.181 -12.917 0.157 1.00 0.00 H ATOM 1266 HE3 LYS A 90 20.074 -14.331 -0.449 1.00 0.00 H ATOM 1267 HZ1 LYS A 90 17.757 -13.031 -1.791 1.00 0.00 H ATOM 1268 HZ2 LYS A 90 18.609 -14.381 -2.370 1.00 0.00 H ATOM 1269 HZ3 LYS A 90 17.715 -14.495 -0.930 1.00 0.00 H ATOM 1270 H LYS A 90 23.280 -8.747 -2.346 1.00 0.00 H ATOM 1271 N TYR A 91 21.857 -8.816 0.657 1.00 14.25 N ATOM 1272 CA TYR A 91 21.492 -8.287 1.970 1.00 14.40 C ATOM 1273 C TYR A 91 20.416 -7.200 1.875 1.00 14.20 C ATOM 1274 O TYR A 91 19.464 -7.207 2.663 1.00 14.56 O ATOM 1275 CB TYR A 91 22.739 -7.757 2.674 1.00 14.47 C ATOM 1276 CG TYR A 91 22.555 -7.411 4.132 1.00 15.60 C ATOM 1277 CD1 TYR A 91 22.228 -8.397 5.064 1.00 15.66 C ATOM 1278 CD2 TYR A 91 22.744 -6.103 4.591 1.00 16.06 C ATOM 1279 CE1 TYR A 91 22.070 -8.100 6.420 1.00 16.64 C ATOM 1280 CE2 TYR A 91 22.595 -5.796 5.972 1.00 15.87 C ATOM 1281 CZ TYR A 91 22.254 -6.811 6.865 1.00 16.61 C ATOM 1282 OH TYR A 91 22.092 -6.550 8.209 1.00 17.88 O ATOM 1283 HA TYR A 91 21.065 -9.101 2.555 1.00 0.00 H ATOM 1284 HB3 TYR A 91 23.065 -6.857 2.152 1.00 0.00 H ATOM 1285 HB2 TYR A 91 23.516 -8.518 2.603 1.00 0.00 H ATOM 1286 HD2 TYR A 91 23.007 -5.314 3.886 1.00 0.00 H ATOM 1287 HE2 TYR A 91 22.746 -4.777 6.329 1.00 0.00 H ATOM 1288 HE1 TYR A 91 21.802 -8.888 7.124 1.00 0.00 H ATOM 1289 HD1 TYR A 91 22.093 -9.424 4.726 1.00 0.00 H ATOM 1290 HH TYR A 91 21.370 -5.884 8.330 1.00 0.00 H ATOM 1291 H TYR A 91 22.858 -8.805 0.375 1.00 0.00 H ATOM 1292 N ALA A 92 20.560 -6.285 0.917 1.00 14.30 N ATOM 1293 CA ALA A 92 19.560 -5.224 0.711 1.00 14.00 C ATOM 1294 C ALA A 92 18.202 -5.805 0.327 1.00 14.20 C ATOM 1295 O ALA A 92 17.201 -5.483 0.964 1.00 13.84 O ATOM 1296 CB ALA A 92 20.018 -4.199 -0.314 1.00 13.08 C ATOM 1297 HA ALA A 92 19.450 -4.706 1.664 1.00 0.00 H ATOM 1298 HB1 ALA A 92 20.943 -3.734 0.027 1.00 0.00 H ATOM 1299 HB2 ALA A 92 20.190 -4.694 -1.269 1.00 0.00 H ATOM 1300 HB3 ALA A 92 19.248 -3.436 -0.432 1.00 0.00 H ATOM 1301 H ALA A 92 21.397 -6.321 0.301 1.00 0.00 H ATOM 1302 N ARG A 93 18.160 -6.685 -0.677 1.00 15.13 N ATOM 1303 CA ARG A 93 16.861 -7.253 -1.090 1.00 16.13 C ATOM 1304 C ARG A 93 16.158 -8.066 -0.026 1.00 16.39 C ATOM 1305 O ARG A 93 14.933 -8.011 0.086 1.00 16.76 O ATOM 1306 CB ARG A 93 16.950 -8.104 -2.351 1.00 16.48 C ATOM 1307 CG ARG A 93 17.490 -7.425 -3.560 1.00 17.83 C ATOM 1308 CD ARG A 93 16.829 -6.107 -3.946 1.00 17.91 C ATOM 1309 NE ARG A 93 17.808 -5.447 -4.791 1.00 17.59 N ATOM 1310 CZ ARG A 93 18.583 -4.432 -4.422 1.00 17.57 C ATOM 1311 NH1 ARG A 93 18.437 -3.869 -3.232 1.00 15.56 N ATOM 1312 NH2 ARG A 93 19.477 -3.956 -5.272 1.00 18.89 N ATOM 1313 HA ARG A 93 16.267 -6.360 -1.285 1.00 0.00 H ATOM 1314 HB2 ARG A 93 17.592 -8.958 -2.133 1.00 0.00 H ATOM 1315 HB3 ARG A 93 15.946 -8.457 -2.587 1.00 0.00 H ATOM 1316 HG2 ARG A 93 18.548 -7.228 -3.386 1.00 0.00 H ATOM 1317 HG3 ARG A 93 17.383 -8.110 -4.401 1.00 0.00 H ATOM 1318 HD2 ARG A 93 16.616 -5.508 -3.061 1.00 0.00 H ATOM 1319 HD3 ARG A 93 15.903 -6.285 -4.494 1.00 0.00 H ATOM 1320 HE ARG A 93 17.911 -5.797 -5.765 1.00 0.00 H ATOM 1321 HH12 ARG A 93 19.049 -3.075 -2.954 1.00 0.00 H ATOM 1322 HH11 ARG A 93 17.711 -4.221 -2.576 1.00 0.00 H ATOM 1323 HH22 ARG A 93 20.088 -3.162 -4.993 1.00 0.00 H ATOM 1324 HH21 ARG A 93 19.569 -4.375 -6.219 1.00 0.00 H ATOM 1325 H ARG A 93 19.035 -6.968 -1.164 1.00 0.00 H ATOM 1326 N GLU A 94 16.914 -8.860 0.732 1.00 17.05 N ATOM 1327 CA GLU A 94 16.291 -9.721 1.725 1.00 17.51 C ATOM 1328 C GLU A 94 15.650 -8.883 2.839 1.00 17.47 C ATOM 1329 O GLU A 94 14.698 -9.325 3.481 1.00 18.15 O ATOM 1330 CB GLU A 94 17.279 -10.734 2.276 1.00 17.58 C ATOM 1331 CG GLU A 94 18.298 -10.160 3.214 1.00 19.13 C ATOM 1332 CD GLU A 94 19.239 -11.214 3.769 1.00 20.89 C ATOM 1333 OE1 GLU A 94 19.263 -12.353 3.244 1.00 22.06 O ATOM 1334 OE2 GLU A 94 19.963 -10.897 4.735 1.00 21.81 O ATOM 1335 HA GLU A 94 15.497 -10.287 1.237 1.00 0.00 H ATOM 1336 HB2 GLU A 94 16.718 -11.502 2.810 1.00 0.00 H ATOM 1337 HB3 GLU A 94 17.806 -11.188 1.437 1.00 0.00 H ATOM 1338 HG2 GLU A 94 18.885 -9.414 2.678 1.00 0.00 H ATOM 1339 HG3 GLU A 94 17.778 -9.683 4.045 1.00 0.00 H ATOM 1340 H GLU A 94 17.947 -8.864 0.614 1.00 0.00 H ATOM 1341 N ASN A 95 16.164 -7.667 3.015 1.00 17.27 N ATOM 1342 CA ASN A 95 15.587 -6.666 3.929 1.00 16.78 C ATOM 1343 C ASN A 95 14.582 -5.730 3.255 1.00 16.29 C ATOM 1344 O ASN A 95 14.126 -4.755 3.856 1.00 16.12 O ATOM 1345 CB ASN A 95 16.699 -5.875 4.623 1.00 17.24 C ATOM 1346 CG ASN A 95 17.355 -6.667 5.733 1.00 17.66 C ATOM 1347 OD1 ASN A 95 16.882 -6.665 6.867 1.00 18.92 O ATOM 1348 ND2 ASN A 95 18.441 -7.358 5.411 1.00 17.93 N ATOM 1349 HA ASN A 95 15.019 -7.219 4.677 1.00 0.00 H ATOM 1350 HB2 ASN A 95 17.456 -5.611 3.885 1.00 0.00 H ATOM 1351 HB3 ASN A 95 16.272 -4.965 5.045 1.00 0.00 H ATOM 1352 HD22 ASN A 95 18.806 -7.330 4.437 1.00 0.00 H ATOM 1353 HD21 ASN A 95 18.928 -7.928 6.132 1.00 0.00 H ATOM 1354 H ASN A 95 17.018 -7.411 2.479 1.00 0.00 H ATOM 1355 N GLU A 96 14.246 -6.050 2.005 1.00 15.51 N ATOM 1356 CA GLU A 96 13.243 -5.334 1.213 1.00 15.68 C ATOM 1357 C GLU A 96 13.539 -3.846 1.014 1.00 15.05 C ATOM 1358 O GLU A 96 12.628 -3.011 1.004 1.00 15.56 O ATOM 1359 CB GLU A 96 11.827 -5.591 1.752 1.00 15.86 C ATOM 1360 CG GLU A 96 11.360 -7.019 1.514 1.00 16.35 C ATOM 1361 CD GLU A 96 9.937 -7.294 1.980 1.00 17.05 C ATOM 1362 OE1 GLU A 96 9.307 -6.422 2.617 1.00 19.06 O ATOM 1363 OE2 GLU A 96 9.461 -8.417 1.730 1.00 19.08 O ATOM 1364 HA GLU A 96 13.300 -5.752 0.208 1.00 0.00 H ATOM 1365 HB2 GLU A 96 11.821 -5.396 2.824 1.00 0.00 H ATOM 1366 HB3 GLU A 96 11.135 -4.910 1.256 1.00 0.00 H ATOM 1367 HG2 GLU A 96 11.416 -7.224 0.445 1.00 0.00 H ATOM 1368 HG3 GLU A 96 12.031 -7.692 2.047 1.00 0.00 H ATOM 1369 H GLU A 96 14.727 -6.860 1.564 1.00 0.00 H ATOM 1370 N HIS A 97 14.827 -3.547 0.819 1.00 14.47 N ATOM 1371 CA HIS A 97 15.319 -2.228 0.417 1.00 14.21 C ATOM 1372 C HIS A 97 15.830 -2.245 -1.036 1.00 14.01 C ATOM 1373 O HIS A 97 16.336 -3.284 -1.484 1.00 14.55 O ATOM 1374 CB HIS A 97 16.450 -1.801 1.354 1.00 13.84 C ATOM 1375 CG HIS A 97 16.033 -1.723 2.789 1.00 14.33 C ATOM 1376 ND1 HIS A 97 14.911 -1.034 3.199 1.00 14.30 N ATOM 1377 CD2 HIS A 97 16.580 -2.253 3.909 1.00 13.68 C ATOM 1378 CE1 HIS A 97 14.784 -1.143 4.510 1.00 14.62 C ATOM 1379 NE2 HIS A 97 15.782 -1.878 4.965 1.00 13.81 N ATOM 1380 HA HIS A 97 14.494 -1.518 0.480 1.00 0.00 H ATOM 1381 HB2 HIS A 97 17.262 -2.523 1.268 1.00 0.00 H ATOM 1382 HB3 HIS A 97 16.805 -0.819 1.043 1.00 0.00 H ATOM 1383 HD2 HIS A 97 17.482 -2.862 3.963 1.00 0.00 H ATOM 1384 HE1 HIS A 97 13.991 -0.701 5.113 1.00 0.00 H ATOM 1385 H HIS A 97 15.527 -4.302 0.963 1.00 0.00 H ATOM 1386 N PRO A 98 15.695 -1.111 -1.768 1.00 14.11 N ATOM 1387 CA PRO A 98 16.169 -0.969 -3.157 1.00 13.47 C ATOM 1388 C PRO A 98 17.664 -0.634 -3.291 1.00 12.38 C ATOM 1389 O PRO A 98 18.170 -0.497 -4.408 1.00 12.92 O ATOM 1390 CB PRO A 98 15.338 0.203 -3.687 1.00 13.89 C ATOM 1391 CG PRO A 98 15.160 1.089 -2.457 1.00 13.92 C ATOM 1392 CD PRO A 98 14.973 0.101 -1.317 1.00 14.30 C ATOM 1393 HA PRO A 98 16.055 -1.909 -3.696 1.00 0.00 H ATOM 1394 HD3 PRO A 98 15.405 0.488 -0.394 1.00 0.00 H ATOM 1395 HD2 PRO A 98 13.916 -0.114 -1.160 1.00 0.00 H ATOM 1396 HG3 PRO A 98 14.284 1.729 -2.563 1.00 0.00 H ATOM 1397 HG2 PRO A 98 16.043 1.708 -2.293 1.00 0.00 H ATOM 1398 HB2 PRO A 98 15.869 0.733 -4.477 1.00 0.00 H ATOM 1399 HB3 PRO A 98 14.375 -0.140 -4.065 1.00 0.00 H ATOM 1400 N LEU A 99 18.352 -0.495 -2.161 1.00 11.23 N ATOM 1401 CA LEU A 99 19.743 -0.053 -2.152 1.00 11.19 C ATOM 1402 C LEU A 99 20.551 -0.800 -3.189 1.00 11.41 C ATOM 1403 O LEU A 99 20.595 -2.045 -3.168 1.00 11.21 O ATOM 1404 CB LEU A 99 20.365 -0.261 -0.770 1.00 10.60 C ATOM 1405 CG LEU A 99 21.838 0.144 -0.587 1.00 11.36 C ATOM 1406 CD1 LEU A 99 22.041 1.671 -0.792 1.00 12.71 C ATOM 1407 CD2 LEU A 99 22.364 -0.283 0.784 1.00 12.26 C ATOM 1408 HA LEU A 99 19.757 1.010 -2.393 1.00 0.00 H ATOM 1409 HB2 LEU A 99 19.776 0.315 -0.056 1.00 0.00 H ATOM 1410 HB3 LEU A 99 20.285 -1.322 -0.532 1.00 0.00 H ATOM 1411 HG LEU A 99 22.411 -0.378 -1.353 1.00 0.00 H ATOM 1412 HD21 LEU A 99 21.772 0.196 1.564 1.00 0.00 H ATOM 1413 HD22 LEU A 99 22.286 -1.366 0.880 1.00 0.00 H ATOM 1414 HD23 LEU A 99 23.407 0.018 0.881 1.00 0.00 H ATOM 1415 HD11 LEU A 99 21.731 1.945 -1.800 1.00 0.00 H ATOM 1416 HD12 LEU A 99 21.440 2.217 -0.064 1.00 0.00 H ATOM 1417 HD13 LEU A 99 23.094 1.918 -0.655 1.00 0.00 H ATOM 1418 H LEU A 99 17.885 -0.708 -1.257 1.00 0.00 H ATOM 1419 N LEU A 100 21.202 -0.025 -4.052 1.00 11.79 N ATOM 1420 CA LEU A 100 21.998 -0.565 -5.147 1.00 12.48 C ATOM 1421 C LEU A 100 23.499 -0.375 -4.911 1.00 12.61 C ATOM 1422 O LEU A 100 23.989 0.761 -4.785 1.00 13.20 O ATOM 1423 CB LEU A 100 21.554 0.057 -6.483 1.00 12.81 C ATOM 1424 CG LEU A 100 22.088 -0.458 -7.836 1.00 12.94 C ATOM 1425 CD1 LEU A 100 23.407 0.193 -8.203 1.00 14.88 C ATOM 1426 CD2 LEU A 100 22.188 -1.988 -7.882 1.00 14.69 C ATOM 1427 HA LEU A 100 21.824 -1.640 -5.192 1.00 0.00 H ATOM 1428 HB2 LEU A 100 20.469 -0.044 -6.523 1.00 0.00 H ATOM 1429 HB3 LEU A 100 21.817 1.113 -6.432 1.00 0.00 H ATOM 1430 HG LEU A 100 21.355 -0.167 -8.588 1.00 0.00 H ATOM 1431 HD21 LEU A 100 22.866 -2.330 -7.100 1.00 0.00 H ATOM 1432 HD22 LEU A 100 21.200 -2.420 -7.723 1.00 0.00 H ATOM 1433 HD23 LEU A 100 22.569 -2.297 -8.855 1.00 0.00 H ATOM 1434 HD11 LEU A 100 23.270 1.272 -8.276 1.00 0.00 H ATOM 1435 HD12 LEU A 100 24.147 -0.030 -7.434 1.00 0.00 H ATOM 1436 HD13 LEU A 100 23.749 -0.197 -9.162 1.00 0.00 H ATOM 1437 H LEU A 100 21.141 1.007 -3.941 1.00 0.00 H ATOM 1438 N CYS A 101 24.199 -1.493 -4.875 1.00 13.30 N ATOM 1439 CA CYS A 101 25.646 -1.520 -4.793 1.00 13.00 C ATOM 1440 C CYS A 101 26.130 -1.917 -6.168 1.00 14.00 C ATOM 1441 O CYS A 101 25.605 -2.865 -6.765 1.00 14.42 O ATOM 1442 CB CYS A 101 26.077 -2.555 -3.768 1.00 13.47 C ATOM 1443 SG CYS A 101 27.829 -2.624 -3.513 1.00 14.69 S ATOM 1444 HA CYS A 101 26.056 -0.557 -4.489 1.00 0.00 H ATOM 1445 HB2 CYS A 101 25.740 -3.535 -4.106 1.00 0.00 H ATOM 1446 HB3 CYS A 101 25.600 -2.316 -2.817 1.00 0.00 H ATOM 1447 HG CYS A 101 28.117 -3.589 -2.570 1.00 0.00 H ATOM 1448 H CYS A 101 23.688 -2.398 -4.907 1.00 0.00 H ATOM 1449 N THR A 102 27.109 -1.174 -6.669 1.00 13.93 N ATOM 1450 CA THR A 102 27.620 -1.359 -8.033 1.00 14.01 C ATOM 1451 C THR A 102 29.129 -1.150 -8.065 1.00 14.48 C ATOM 1452 O THR A 102 29.748 -0.948 -7.024 1.00 13.65 O ATOM 1453 CB THR A 102 26.912 -0.428 -9.070 1.00 14.30 C ATOM 1454 OG1 THR A 102 27.285 -0.815 -10.409 1.00 14.96 O ATOM 1455 CG2 THR A 102 27.267 1.054 -8.855 1.00 14.74 C ATOM 1456 HA THR A 102 27.394 -2.385 -8.325 1.00 0.00 H ATOM 1457 HB THR A 102 25.837 -0.541 -8.928 1.00 0.00 H ATOM 1458 HG1 THR A 102 26.834 -0.222 -11.061 1.00 0.00 H ATOM 1459 HG23 THR A 102 26.987 1.350 -7.844 1.00 0.00 H ATOM 1460 HG21 THR A 102 28.339 1.193 -8.992 1.00 0.00 H ATOM 1461 HG22 THR A 102 26.725 1.665 -9.577 1.00 0.00 H ATOM 1462 H THR A 102 27.530 -0.433 -6.073 1.00 0.00 H ATOM 1463 N LEU A 103 29.685 -1.186 -9.276 1.00 15.78 N ATOM 1464 CA LEU A 103 31.127 -1.092 -9.541 1.00 18.01 C ATOM 1465 C LEU A 103 31.444 -0.049 -10.599 1.00 19.14 C ATOM 1466 O LEU A 103 30.675 0.148 -11.548 1.00 19.21 O ATOM 1467 CB LEU A 103 31.633 -2.417 -10.130 1.00 18.48 C ATOM 1468 CG LEU A 103 31.486 -3.757 -9.420 1.00 19.34 C ATOM 1469 CD1 LEU A 103 32.173 -4.855 -10.190 1.00 21.14 C ATOM 1470 CD2 LEU A 103 32.089 -3.629 -8.047 1.00 20.91 C ATOM 1471 HA LEU A 103 31.596 -0.838 -8.590 1.00 0.00 H ATOM 1472 HB2 LEU A 103 31.129 -2.530 -11.090 1.00 0.00 H ATOM 1473 HB3 LEU A 103 32.702 -2.282 -10.296 1.00 0.00 H ATOM 1474 HG LEU A 103 30.430 -4.018 -9.348 1.00 0.00 H ATOM 1475 HD21 LEU A 103 33.143 -3.365 -8.137 1.00 0.00 H ATOM 1476 HD22 LEU A 103 31.565 -2.851 -7.492 1.00 0.00 H ATOM 1477 HD23 LEU A 103 31.995 -4.579 -7.520 1.00 0.00 H ATOM 1478 HD11 LEU A 103 31.729 -4.934 -11.182 1.00 0.00 H ATOM 1479 HD12 LEU A 103 33.234 -4.623 -10.283 1.00 0.00 H ATOM 1480 HD13 LEU A 103 32.052 -5.800 -9.660 1.00 0.00 H ATOM 1481 H LEU A 103 29.051 -1.288 -10.094 1.00 0.00 H ATOM 1482 N GLU A 104 32.598 0.596 -10.457 1.00 20.45 N ATOM 1483 CA GLU A 104 33.269 1.189 -11.607 1.00 21.79 C ATOM 1484 C GLU A 104 34.770 1.027 -11.492 1.00 22.11 C ATOM 1485 O GLU A 104 35.318 1.014 -10.382 1.00 21.53 O ATOM 1486 CB GLU A 104 32.877 2.647 -11.892 1.00 22.59 C ATOM 1487 CG GLU A 104 32.791 3.595 -10.719 1.00 24.99 C ATOM 1488 CD GLU A 104 31.801 4.722 -10.989 1.00 28.43 C ATOM 1489 OE1 GLU A 104 30.774 4.471 -11.657 1.00 30.05 O ATOM 1490 OE2 GLU A 104 32.037 5.861 -10.527 1.00 30.47 O ATOM 1491 HA GLU A 104 32.916 0.633 -12.476 1.00 0.00 H ATOM 1492 HB2 GLU A 104 33.614 3.053 -12.585 1.00 0.00 H ATOM 1493 HB3 GLU A 104 31.898 2.633 -12.372 1.00 0.00 H ATOM 1494 HG2 GLU A 104 32.467 3.041 -9.838 1.00 0.00 H ATOM 1495 HG3 GLU A 104 33.776 4.024 -10.536 1.00 0.00 H ATOM 1496 H GLU A 104 33.027 0.678 -9.513 1.00 0.00 H ATOM 1497 N LYS A 105 35.406 0.873 -12.650 1.00 22.80 N ATOM 1498 CA LYS A 105 36.862 0.775 -12.754 1.00 23.97 C ATOM 1499 C LYS A 105 37.510 1.996 -12.104 1.00 24.59 C ATOM 1500 O LYS A 105 37.111 3.133 -12.364 1.00 24.10 O ATOM 1501 CB LYS A 105 37.269 0.646 -14.234 1.00 24.10 C ATOM 1502 CG LYS A 105 38.768 0.723 -14.508 1.00 24.37 C ATOM 1503 CD LYS A 105 39.084 0.348 -15.961 1.00 24.94 C ATOM 1504 CE LYS A 105 40.483 0.812 -16.372 1.00 26.91 C ATOM 1505 NZ LYS A 105 41.544 0.367 -15.421 1.00 28.33 N ATOM 1506 HA LYS A 105 37.210 -0.113 -12.227 1.00 0.00 H ATOM 1507 HB2 LYS A 105 36.909 -0.315 -14.600 1.00 0.00 H ATOM 1508 HB3 LYS A 105 36.784 1.449 -14.788 1.00 0.00 H ATOM 1509 HG2 LYS A 105 39.113 1.740 -14.319 1.00 0.00 H ATOM 1510 HG3 LYS A 105 39.288 0.035 -13.841 1.00 0.00 H ATOM 1511 HD2 LYS A 105 39.025 -0.735 -16.068 1.00 0.00 H ATOM 1512 HD3 LYS A 105 38.349 0.817 -16.615 1.00 0.00 H ATOM 1513 HE2 LYS A 105 40.490 1.901 -16.417 1.00 0.00 H ATOM 1514 HE3 LYS A 105 40.708 0.408 -17.359 1.00 0.00 H ATOM 1515 HZ1 LYS A 105 41.346 0.754 -14.476 1.00 0.00 H ATOM 1516 HZ2 LYS A 105 41.554 -0.672 -15.376 1.00 0.00 H ATOM 1517 HZ3 LYS A 105 42.469 0.710 -15.750 1.00 0.00 H ATOM 1518 H LYS A 105 34.842 0.820 -13.522 1.00 0.00 H ATOM 1519 N ALA A 106 38.494 1.755 -11.240 1.00 25.67 N ATOM 1520 CA ALA A 106 39.236 2.842 -10.622 1.00 26.99 C ATOM 1521 C ALA A 106 40.192 3.474 -11.632 1.00 28.26 C ATOM 1522 O ALA A 106 40.369 4.695 -11.654 1.00 28.64 O ATOM 1523 CB ALA A 106 39.995 2.341 -9.386 1.00 26.81 C ATOM 1524 HA ALA A 106 38.530 3.606 -10.297 1.00 0.00 H ATOM 1525 HB1 ALA A 106 39.285 1.940 -8.663 1.00 0.00 H ATOM 1526 HB2 ALA A 106 40.694 1.559 -9.683 1.00 0.00 H ATOM 1527 HB3 ALA A 106 40.544 3.169 -8.938 1.00 0.00 H ATOM 1528 H ALA A 106 38.736 0.772 -11.003 1.00 0.00 H ATOM 1529 N GLY A 107 40.779 2.638 -12.486 1.00 29.29 N ATOM 1530 CA GLY A 107 41.903 3.049 -13.325 1.00 30.50 C ATOM 1531 C GLY A 107 43.171 2.993 -12.489 1.00 31.23 C ATOM 1532 O GLY A 107 44.277 3.214 -12.993 1.00 31.69 O ATOM 1533 HA3 GLY A 107 41.743 4.066 -13.684 1.00 0.00 H ATOM 1534 HA2 GLY A 107 41.993 2.375 -14.177 1.00 0.00 H ATOM 1535 H GLY A 107 40.427 1.662 -12.558 1.00 0.00 H ATOM 1536 N ALA A 108 42.983 2.686 -11.203 1.00 31.75 N ATOM 1537 CA ALA A 108 44.054 2.538 -10.225 1.00 31.96 C ATOM 1538 C ALA A 108 43.693 1.455 -9.202 1.00 32.15 C ATOM 1539 O ALA A 108 43.225 1.741 -8.087 1.00 32.22 O ATOM 1540 CB ALA A 108 44.332 3.870 -9.536 1.00 32.08 C ATOM 1541 HA ALA A 108 44.962 2.229 -10.742 1.00 0.00 H ATOM 1542 HB1 ALA A 108 44.630 4.608 -10.281 1.00 0.00 H ATOM 1543 HB2 ALA A 108 43.430 4.210 -9.027 1.00 0.00 H ATOM 1544 HB3 ALA A 108 45.134 3.741 -8.809 1.00 0.00 H ATOM 1545 H ALA A 108 42.006 2.543 -10.877 1.00 0.00 H TER 1546 ALA A 108 HETATM 1547 O HOH 1 63.195 -2.041 -16.367 1.00 29.70 O HETATM 1548 O HOH 2 44.499 -8.357 -9.223 1.00 26.01 O HETATM 1549 O HOH 3 53.522 -6.631 -21.551 1.00 40.81 O HETATM 1550 O HOH 4 59.671 -8.054 -23.166 1.00 39.96 O HETATM 1551 O HOH 5 53.688 -8.746 -13.130 1.00 30.79 O HETATM 1552 O HOH 6 19.218 2.769 -6.587 1.00 18.77 O HETATM 1553 O HOH 7 48.015 -6.108 -13.770 1.00 63.85 O HETATM 1554 O HOH 8 51.478 -6.502 -13.839 1.00 27.71 O HETATM 1555 O HOH 9 49.267 0.016 -18.299 1.00 59.66 O HETATM 1556 O HOH 10 46.100 -0.524 -9.965 1.00 38.13 O HETATM 1557 O HOH 11 20.312 -0.671 12.445 1.00 37.89 O HETATM 1558 O HOH 12 39.840 -1.948 -13.304 1.00 49.21 O HETATM 1559 O HOH 13 41.961 -7.252 -10.340 1.00 35.59 O HETATM 1560 O HOH 14 18.094 -12.803 -6.690 1.00 81.52 O HETATM 1561 O HOH 15 38.502 6.158 -6.389 1.00 69.53 O HETATM 1562 O HOH 16 20.043 2.778 -4.229 1.00 15.82 O HETATM 1563 O HOH 17 18.658 12.426 -3.252 1.00214.26 O HETATM 1564 O HOH 18 17.202 10.743 -4.847 1.00 33.40 O HETATM 1565 O HOH 19 14.602 6.669 -4.874 1.00 24.73 O HETATM 1566 O HOH 20 13.450 10.030 1.066 1.00 40.90 O HETATM 1567 O HOH 21 7.978 8.631 -2.199 1.00 38.80 O HETATM 1568 O HOH 22 24.747 3.777 14.479 1.00 34.76 O HETATM 1569 O HOH 23 22.690 0.901 11.889 1.00 27.02 O HETATM 1570 O HOH 24 17.617 5.310 9.361 1.00 22.19 O HETATM 1571 O HOH 25 18.311 -10.864 -4.837 1.00 23.35 O HETATM 1572 O HOH 26 14.143 -10.954 -2.941 1.00 25.33 O HETATM 1573 O HOH 27 20.157 -2.133 9.926 1.00 41.54 O HETATM 1574 O HOH 28 17.126 -0.013 8.970 1.00 26.56 O HETATM 1575 O HOH 29 33.018 -3.908 11.166 1.00 38.84 O HETATM 1576 O HOH 30 31.710 -10.582 4.963 1.00 32.00 O HETATM 1577 O HOH 31 36.447 -3.453 3.227 1.00 29.71 O HETATM 1578 O HOH 32 37.110 -1.285 11.718 1.00 33.20 O HETATM 1579 O HOH 33 32.631 1.070 15.782 1.00 26.67 O HETATM 1580 O HOH 34 34.360 9.625 9.212 1.00 32.21 O HETATM 1581 O HOH 35 33.960 6.879 5.423 1.00 33.96 O HETATM 1582 O HOH 36 25.705 6.927 13.571 1.00 27.22 O HETATM 1583 O HOH 37 21.416 12.745 -3.173 1.00 28.69 O HETATM 1584 O HOH 38 23.051 14.894 -4.147 1.00 24.26 O HETATM 1585 O HOH 39 33.224 14.098 0.428 1.00 33.83 O HETATM 1586 O HOH 40 30.207 11.060 -4.006 1.00 25.66 O HETATM 1587 O HOH 41 22.856 8.599 -7.314 1.00 33.60 O HETATM 1588 O HOH 42 33.070 8.476 -1.864 1.00 26.48 O HETATM 1589 O HOH 43 35.577 5.147 1.564 1.00 34.99 O HETATM 1590 O HOH 44 34.738 6.808 -0.160 1.00 28.32 O HETATM 1591 O HOH 45 36.740 -1.002 2.359 1.00 35.11 O HETATM 1592 O HOH 46 41.671 -4.122 -2.360 1.00 14.88 O HETATM 1593 O HOH 47 39.529 -0.411 -0.128 1.00 19.03 O HETATM 1594 O HOH 48 40.731 -6.563 -3.315 1.00 15.54 O HETATM 1595 O HOH 49 40.443 -9.952 -9.936 1.00 29.34 O HETATM 1596 O HOH 50 32.436 -13.347 -13.725 1.00 38.05 O HETATM 1597 O HOH 51 23.022 -10.016 -5.321 1.00 17.05 O HETATM 1598 O HOH 52 16.916 -11.457 -2.187 1.00 30.00 O HETATM 1599 O HOH 53 20.406 -9.589 -4.690 1.00 28.93 O HETATM 1600 O HOH 54 13.047 -8.870 -1.738 1.00 19.51 O HETATM 1601 O HOH 55 18.981 -9.842 6.596 1.00 26.12 O HETATM 1602 O HOH 56 16.840 -14.067 2.859 1.00 30.00 O HETATM 1603 O HOH 57 12.259 -3.689 5.603 1.00 36.05 O HETATM 1604 O HOH 58 11.272 -10.187 0.337 1.00 23.07 O HETATM 1605 O HOH 59 16.107 -2.595 7.625 1.00 22.29 O HETATM 1606 O HOH 60 12.995 0.543 1.826 1.00 17.31 O HETATM 1607 O HOH 61 17.816 -0.154 -7.058 1.00 26.15 O HETATM 1608 O HOH 62 36.459 5.784 -12.213 1.00 45.40 O HETATM 1609 O HOH 63 42.722 -0.028 -12.102 1.00 37.37 O HETATM 1610 O HOH 64 17.023 10.536 -0.469 1.00 21.87 O HETATM 1611 O HOH 65 18.619 7.645 10.896 1.00 35.19 O HETATM 1612 O HOH 66 11.682 9.034 23.936 1.00 36.47 O HETATM 1613 O HOH 67 11.745 14.541 29.780 1.00 21.12 O HETATM 1614 O HOH 68 7.272 14.245 23.971 1.00 30.16 O HETATM 1615 N LEU A 69 18.567 8.887 1.132 1.00 0.24 N HETATM 1616 CA LEU A 69 18.218 7.827 2.126 1.00 0.07 C HETATM 1617 C LEU A 69 17.150 8.372 3.081 1.00 0.23 C HETATM 1618 O LEU A 69 16.839 9.570 3.050 1.00 -0.39 O HETATM 1619 N LEU A 69 16.589 7.485 3.899 1.00 -0.26 N HETATM 1620 CA LEU A 69 15.529 7.856 4.848 1.00 0.13 C HETATM 1621 C LEU A 69 16.082 8.000 6.263 1.00 0.20 C HETATM 1622 O LEU A 69 16.618 7.046 6.845 1.00 -0.39 O HETATM 1623 N LEU A 69 15.937 9.206 6.808 1.00 -0.26 N HETATM 1624 CA LEU A 69 16.368 9.497 8.171 1.00 0.13 C HETATM 1625 C LEU A 69 15.387 8.902 9.177 1.00 0.20 C HETATM 1626 O LEU A 69 14.177 8.915 8.947 1.00 -0.39 O HETATM 1627 N LEU A 69 15.911 8.383 10.290 1.00 -0.26 N HETATM 1628 CA LEU A 69 15.065 7.811 11.339 1.00 0.15 C HETATM 1629 C LEU A 69 14.393 8.920 12.138 1.00 0.21 C HETATM 1630 O LEU A 69 14.913 10.036 12.217 1.00 -0.39 O HETATM 1631 N LEU A 69 13.229 8.615 12.705 1.00 -0.26 N HETATM 1632 CA LEU A 69 12.522 9.567 13.550 1.00 0.13 C HETATM 1633 C LEU A 69 13.320 9.778 14.822 1.00 0.20 C HETATM 1634 O LEU A 69 13.902 8.834 15.360 1.00 -0.39 O HETATM 1635 N LEU A 69 13.360 11.029 15.269 1.00 -0.26 N HETATM 1636 CA LEU A 69 13.966 11.395 16.546 1.00 0.13 C HETATM 1637 C LEU A 69 13.205 10.765 17.716 1.00 0.20 C HETATM 1638 O LEU A 69 12.000 10.502 17.615 1.00 -0.39 O HETATM 1639 N LEU A 69 13.918 10.511 18.813 1.00 -0.26 N HETATM 1640 CA LEU A 69 13.304 9.982 20.031 1.00 0.16 C HETATM 1641 C LEU A 69 12.916 11.113 20.989 1.00 0.21 C HETATM 1642 O LEU A 69 13.747 11.962 21.316 1.00 -0.39 O HETATM 1643 N LEU A 69 11.646 11.121 21.404 1.00 -0.26 N HETATM 1644 CA LEU A 69 11.121 12.058 22.422 1.00 0.15 C HETATM 1645 C LEU A 69 9.898 11.538 23.193 1.00 0.21 C HETATM 1646 O LEU A 69 8.938 11.048 22.588 1.00 -0.39 O HETATM 1647 N LEU A 69 9.943 11.650 24.522 1.00 -0.26 N HETATM 1648 CA LEU A 69 8.826 11.253 25.391 1.00 0.13 C HETATM 1649 C LEU A 69 8.720 12.209 26.573 1.00 0.20 C HETATM 1650 O LEU A 69 9.438 12.052 27.566 1.00 -0.39 O HETATM 1651 N LEU A 69 7.807 13.179 26.468 1.00 -0.26 N HETATM 1652 CA LEU A 69 7.750 14.312 27.394 1.00 0.13 C HETATM 1653 C LEU A 69 9.178 14.836 27.515 1.00 0.20 C HETATM 1654 O LEU A 69 9.712 14.961 28.610 1.00 -0.39 O HETATM 1655 N LEU A 69 9.789 15.122 26.365 1.00 -0.26 N HETATM 1656 CA LEU A 69 11.249 15.286 26.257 1.00 0.12 C HETATM 1657 C LEU A 69 12.004 13.960 26.421 1.00 0.13 C HETATM 1658 O LEU A 69 12.963 13.850 27.193 1.00 -0.37 O HETATM 1659 H96 LEU A 69 11.687 13.094 25.842 1.00 0.14 H HETATM 1660 CB LEU A 69 11.763 16.325 27.247 1.00 0.01 C HETATM 1661 CG LEU A 69 12.069 17.664 26.638 1.00 -0.05 C HETATM 1662 CD1 LEU A 69 11.129 18.329 25.863 1.00 -0.07 C HETATM 1663 CE1 LEU A 69 11.405 19.566 25.311 1.00 -0.04 C HETATM 1664 CZ LEU A 69 12.622 20.159 25.541 1.00 0.08 C HETATM 1665 CE2 LEU A 69 13.573 19.520 26.322 1.00 -0.04 C HETATM 1666 CD2 LEU A 69 13.292 18.282 26.868 1.00 -0.07 C HETATM 1667 H100 LEU A 69 14.035 17.787 27.483 1.00 0.05 H HETATM 1668 H102 LEU A 69 14.533 19.990 26.503 1.00 0.05 H HETATM 1669 OH LEU A 69 12.883 21.399 24.991 1.00 -0.34 O HETATM 1670 H103 LEU A 69 12.129 21.687 24.490 1.00 0.25 H HETATM 1671 H101 LEU A 69 10.663 20.066 24.699 1.00 0.05 H HETATM 1672 H99 LEU A 69 10.162 17.871 25.688 1.00 0.05 H HETATM 1673 H97 LEU A 69 12.684 15.937 27.706 1.00 0.05 H HETATM 1674 H98 LEU A 69 10.998 16.467 28.025 1.00 0.05 H HETATM 1675 H95 LEU A 69 11.460 15.660 25.244 1.00 0.08 H HETATM 1676 H94 LEU A 69 9.233 15.230 25.541 1.00 0.19 H HETATM 1677 CB LEU A 69 7.189 13.875 28.755 1.00 -0.01 C HETATM 1678 CG LEU A 69 6.769 14.882 29.845 1.00 -0.04 C HETATM 1679 CD1 LEU A 69 7.949 15.663 30.397 1.00 -0.06 C HETATM 1680 H88 LEU A 69 7.596 16.364 31.168 1.00 0.02 H HETATM 1681 H89 LEU A 69 8.430 16.225 29.583 1.00 0.02 H HETATM 1682 H90 LEU A 69 8.675 14.966 30.840 1.00 0.02 H HETATM 1683 CD2 LEU A 69 5.699 15.839 29.374 1.00 -0.06 C HETATM 1684 H91 LEU A 69 4.847 15.269 28.975 1.00 0.02 H HETATM 1685 H92 LEU A 69 6.108 16.487 28.585 1.00 0.02 H HETATM 1686 H93 LEU A 69 5.363 16.458 30.219 1.00 0.02 H HETATM 1687 H87 LEU A 69 6.344 14.296 30.674 1.00 0.03 H HETATM 1688 H85 LEU A 69 7.960 13.236 29.211 1.00 0.03 H HETATM 1689 H86 LEU A 69 6.295 13.272 28.537 1.00 0.03 H HETATM 1690 H84 LEU A 69 7.102 15.099 26.981 1.00 0.08 H HETATM 1691 H83 LEU A 69 7.136 13.129 25.728 1.00 0.19 H HETATM 1692 CB LEU A 69 9.010 9.811 25.887 1.00 -0.01 C HETATM 1693 CG LEU A 69 7.806 8.872 26.099 1.00 -0.04 C HETATM 1694 CD1 LEU A 69 6.760 9.428 27.072 1.00 -0.06 C HETATM 1695 H77 LEU A 69 5.934 8.708 27.174 1.00 0.02 H HETATM 1696 H78 LEU A 69 6.370 10.381 26.686 1.00 0.02 H HETATM 1697 H79 LEU A 69 7.225 9.594 28.055 1.00 0.02 H HETATM 1698 CD2 LEU A 69 7.157 8.476 24.764 1.00 -0.06 C HETATM 1699 H80 LEU A 69 7.927 8.081 24.085 1.00 0.02 H HETATM 1700 H81 LEU A 69 6.685 9.360 24.309 1.00 0.02 H HETATM 1701 H82 LEU A 69 6.394 7.704 24.942 1.00 0.02 H HETATM 1702 H76 LEU A 69 8.202 7.951 26.552 1.00 0.03 H HETATM 1703 H74 LEU A 69 9.524 9.880 26.857 1.00 0.03 H HETATM 1704 H75 LEU A 69 9.667 9.314 25.158 1.00 0.03 H HETATM 1705 H73 LEU A 69 7.894 11.306 24.810 1.00 0.08 H HETATM 1706 H72 LEU A 69 10.771 12.019 24.944 1.00 0.19 H HETATM 1707 CB LEU A 69 10.817 13.446 21.820 1.00 0.08 C HETATM 1708 CG LEU A 69 10.099 13.377 20.471 1.00 0.18 C HETATM 1709 OD1 LEU A 69 10.571 13.944 19.487 1.00 -0.40 O HETATM 1710 ND2 LEU A 69 8.955 12.697 20.424 1.00 -0.30 N HETATM 1711 H70 LEU A 69 8.451 12.625 19.563 1.00 0.18 H HETATM 1712 H71 LEU A 69 8.600 12.258 21.249 1.00 0.18 H HETATM 1713 H68 LEU A 69 11.767 13.983 21.683 1.00 0.06 H HETATM 1714 H69 LEU A 69 10.181 14.001 22.526 1.00 0.06 H HETATM 1715 H67 LEU A 69 11.925 12.194 23.161 1.00 0.08 H HETATM 1716 H66 LEU A 69 11.015 10.456 21.004 1.00 0.19 H HETATM 1717 CB LEU A 69 14.221 8.935 20.749 1.00 0.09 C HETATM 1718 OG1 LEU A 69 13.639 8.548 22.002 1.00 -0.39 O HETATM 1719 H62 LEU A 69 13.546 9.314 22.556 1.00 0.21 H HETATM 1720 CG2 LEU A 69 15.633 9.486 20.997 1.00 -0.03 C HETATM 1721 H63 LEU A 69 16.242 8.721 21.501 1.00 0.03 H HETATM 1722 H64 LEU A 69 15.571 10.382 21.632 1.00 0.03 H HETATM 1723 H65 LEU A 69 16.098 9.749 20.035 1.00 0.03 H HETATM 1724 H61 LEU A 69 14.301 8.047 20.105 1.00 0.06 H HETATM 1725 H60 LEU A 69 12.380 9.463 19.735 1.00 0.08 H HETATM 1726 H59 LEU A 69 14.902 10.687 18.803 1.00 0.19 H HETATM 1727 CB LEU A 69 14.006 12.910 16.687 1.00 -0.02 C HETATM 1728 H56 LEU A 69 14.464 13.177 17.651 1.00 0.03 H HETATM 1729 H57 LEU A 69 12.982 13.309 16.644 1.00 0.03 H HETATM 1730 H58 LEU A 69 14.601 13.339 15.867 1.00 0.03 H HETATM 1731 H55 LEU A 69 14.998 11.016 16.562 1.00 0.08 H HETATM 1732 H54 LEU A 69 12.957 11.751 14.706 1.00 0.19 H HETATM 1733 CB LEU A 69 11.103 9.082 13.880 1.00 -0.01 C HETATM 1734 CG LEU A 69 10.291 10.092 14.717 1.00 -0.04 C HETATM 1735 CD LEU A 69 8.815 10.149 14.288 1.00 -0.01 C HETATM 1736 CE LEU A 69 8.030 11.171 15.127 1.00 -0.04 C HETATM 1737 NZ LEU A 69 6.531 11.222 14.622 1.00 0.22 N HETATM 1738 H51 LEU A 69 6.014 11.891 15.171 1.00 0.20 H HETATM 1739 H52 LEU A 69 6.112 10.311 14.722 1.00 0.20 H HETATM 1740 H53 LEU A 69 6.512 11.496 13.652 1.00 0.20 H HETATM 1741 H49 LEU A 69 8.488 12.165 15.018 1.00 0.08 H HETATM 1742 H50 LEU A 69 8.051 10.871 16.185 1.00 0.08 H HETATM 1743 H47 LEU A 69 8.364 9.154 14.421 1.00 0.03 H HETATM 1744 H48 LEU A 69 8.761 10.438 13.228 1.00 0.03 H HETATM 1745 H45 LEU A 69 10.734 11.091 14.594 1.00 0.03 H HETATM 1746 H46 LEU A 69 10.341 9.796 15.775 1.00 0.03 H HETATM 1747 H43 LEU A 69 11.178 8.141 14.445 1.00 0.03 H HETATM 1748 H44 LEU A 69 10.568 8.901 12.936 1.00 0.03 H HETATM 1749 H42 LEU A 69 12.445 10.525 13.014 1.00 0.08 H HETATM 1750 H41 LEU A 69 12.831 7.712 12.547 1.00 0.19 H HETATM 1751 CB LEU A 69 15.860 6.877 12.261 1.00 0.08 C HETATM 1752 OG LEU A 69 16.616 7.588 13.231 1.00 -0.39 O HETATM 1753 H40 LEU A 69 17.233 8.162 12.792 1.00 0.21 H HETATM 1754 H38 LEU A 69 16.548 6.277 11.648 1.00 0.06 H HETATM 1755 H39 LEU A 69 15.156 6.211 12.781 1.00 0.06 H HETATM 1756 H37 LEU A 69 14.278 7.215 10.853 1.00 0.08 H HETATM 1757 H36 LEU A 69 16.904 8.385 10.410 1.00 0.19 H HETATM 1758 CB LEU A 69 16.491 11.008 8.360 1.00 -0.01 C HETATM 1759 CG LEU A 69 17.132 11.428 9.672 1.00 -0.04 C HETATM 1760 CD LEU A 69 17.476 12.904 9.658 1.00 -0.01 C HETATM 1761 CE LEU A 69 17.703 13.419 11.072 1.00 -0.04 C HETATM 1762 NZ LEU A 69 18.287 14.787 11.086 1.00 0.22 N HETATM 1763 H33 LEU A 69 18.419 15.086 12.040 1.00 0.20 H HETATM 1764 H34 LEU A 69 17.662 15.424 10.618 1.00 0.20 H HETATM 1765 H35 LEU A 69 19.176 14.778 10.610 1.00 0.20 H HETATM 1766 H31 LEU A 69 18.390 12.735 11.592 1.00 0.08 H HETATM 1767 H32 LEU A 69 16.738 13.441 11.600 1.00 0.08 H HETATM 1768 H29 LEU A 69 16.647 13.463 9.199 1.00 0.03 H HETATM 1769 H30 LEU A 69 18.392 13.055 9.068 1.00 0.03 H HETATM 1770 H27 LEU A 69 18.052 10.845 9.826 1.00 0.03 H HETATM 1771 H28 LEU A 69 16.430 11.230 10.495 1.00 0.03 H HETATM 1772 H25 LEU A 69 15.482 11.443 8.316 1.00 0.03 H HETATM 1773 H26 LEU A 69 17.100 11.409 7.536 1.00 0.03 H HETATM 1774 H24 LEU A 69 17.355 9.041 8.334 1.00 0.08 H HETATM 1775 H23 LEU A 69 15.520 9.935 6.266 1.00 0.19 H HETATM 1776 CB LEU A 69 14.330 6.863 4.816 1.00 -0.01 C HETATM 1777 CG1 LEU A 69 13.248 7.261 5.834 1.00 -0.06 C HETATM 1778 H17 LEU A 69 12.417 6.542 5.786 1.00 0.02 H HETATM 1779 H18 LEU A 69 12.875 8.268 5.597 1.00 0.02 H HETATM 1780 H19 LEU A 69 13.678 7.258 6.846 1.00 0.02 H HETATM 1781 CG2 LEU A 69 13.735 6.798 3.421 1.00 -0.06 C HETATM 1782 H20 LEU A 69 14.517 6.513 2.702 1.00 0.02 H HETATM 1783 H21 LEU A 69 13.329 7.784 3.149 1.00 0.02 H HETATM 1784 H22 LEU A 69 12.928 6.051 3.401 1.00 0.02 H HETATM 1785 H16 LEU A 69 14.704 5.863 5.082 1.00 0.03 H HETATM 1786 H15 LEU A 69 15.146 8.840 4.540 1.00 0.08 H HETATM 1787 H14 LEU A 69 16.899 6.535 3.867 1.00 0.19 H HETATM 1788 CB LEU A 69 19.456 7.410 2.926 1.00 0.01 C HETATM 1789 CG LEU A 69 20.651 6.955 2.093 1.00 -0.04 C HETATM 1790 CD1 LEU A 69 21.873 6.729 2.966 1.00 -0.06 C HETATM 1791 H8 LEU A 69 22.716 6.403 2.339 1.00 0.02 H HETATM 1792 H9 LEU A 69 21.651 5.954 3.714 1.00 0.02 H HETATM 1793 H10 LEU A 69 22.137 7.667 3.477 1.00 0.02 H HETATM 1794 CD2 LEU A 69 20.288 5.702 1.283 1.00 -0.06 C HETATM 1795 H11 LEU A 69 19.401 5.908 0.667 1.00 0.02 H HETATM 1796 H12 LEU A 69 20.072 4.871 1.970 1.00 0.02 H HETATM 1797 H13 LEU A 69 21.131 5.429 0.632 1.00 0.02 H HETATM 1798 H7 LEU A 69 20.894 7.758 1.381 1.00 0.03 H HETATM 1799 H5 LEU A 69 19.168 6.580 3.588 1.00 0.03 H HETATM 1800 H6 LEU A 69 19.773 8.271 3.533 1.00 0.03 H HETATM 1801 H4 LEU A 69 17.820 6.950 1.595 1.00 0.11 H HETATM 1802 H1 LEU A 69 19.269 8.536 0.500 1.00 0.20 H HETATM 1803 H2 LEU A 69 18.924 9.696 1.615 1.00 0.20 H HETATM 1804 H3 LEU A 69 17.743 9.143 0.611 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1615 1616 1802 1803 1804 CONECT 1616 1615 1617 1788 1801 CONECT 1617 1616 1618 1619 CONECT 1618 1617 CONECT 1619 1617 1620 1787 CONECT 1620 1619 1621 1776 1786 CONECT 1621 1620 1622 1623 CONECT 1622 1621 CONECT 1623 1621 1624 1775 CONECT 1624 1623 1625 1758 1774 CONECT 1625 1624 1626 1627 CONECT 1626 1625 CONECT 1627 1625 1628 1757 CONECT 1628 1627 1629 1751 1756 CONECT 1629 1628 1630 1631 CONECT 1630 1629 CONECT 1631 1629 1632 1750 CONECT 1632 1631 1633 1733 1749 CONECT 1633 1632 1634 1635 CONECT 1634 1633 CONECT 1635 1633 1636 1732 CONECT 1636 1635 1637 1727 1731 CONECT 1637 1636 1638 1639 CONECT 1638 1637 CONECT 1639 1637 1640 1726 CONECT 1640 1639 1641 1717 1725 CONECT 1641 1640 1642 1643 CONECT 1642 1641 CONECT 1643 1641 1644 1716 CONECT 1644 1643 1645 1707 1715 CONECT 1645 1644 1646 1647 CONECT 1646 1645 CONECT 1647 1645 1648 1706 CONECT 1648 1647 1649 1692 1705 CONECT 1649 1648 1650 1651 CONECT 1650 1649 CONECT 1651 1649 1652 1691 CONECT 1652 1651 1653 1677 1690 CONECT 1653 1652 1654 1655 CONECT 1654 1653 CONECT 1655 1653 1656 1676 CONECT 1656 1655 1657 1660 1675 CONECT 1657 1656 1658 1659 CONECT 1658 1657 CONECT 1659 1657 CONECT 1660 1656 1661 1673 1674 CONECT 1661 1660 1662 1666 CONECT 1662 1661 1663 1672 CONECT 1663 1662 1664 1671 CONECT 1664 1663 1665 1669 CONECT 1665 1664 1666 1668 CONECT 1666 1661 1665 1667 CONECT 1667 1666 CONECT 1668 1665 CONECT 1669 1664 1670 CONECT 1670 1669 CONECT 1671 1663 CONECT 1672 1662 CONECT 1673 1660 CONECT 1674 1660 CONECT 1675 1656 CONECT 1676 1655 CONECT 1677 1652 1678 1688 1689 CONECT 1678 1677 1679 1683 1687 CONECT 1679 1678 1680 1681 1682 CONECT 1680 1679 CONECT 1681 1679 CONECT 1682 1679 CONECT 1683 1678 1684 1685 1686 CONECT 1684 1683 CONECT 1685 1683 CONECT 1686 1683 CONECT 1687 1678 CONECT 1688 1677 CONECT 1689 1677 CONECT 1690 1652 CONECT 1691 1651 CONECT 1692 1648 1693 1703 1704 CONECT 1693 1692 1694 1698 1702 CONECT 1694 1693 1695 1696 1697 CONECT 1695 1694 CONECT 1696 1694 CONECT 1697 1694 CONECT 1698 1693 1699 1700 1701 CONECT 1699 1698 CONECT 1700 1698 CONECT 1701 1698 CONECT 1702 1693 CONECT 1703 1692 CONECT 1704 1692 CONECT 1705 1648 CONECT 1706 1647 CONECT 1707 1644 1708 1713 1714 CONECT 1708 1707 1709 1710 CONECT 1709 1708 CONECT 1710 1708 1711 1712 CONECT 1711 1710 CONECT 1712 1710 CONECT 1713 1707 CONECT 1714 1707 CONECT 1715 1644 CONECT 1716 1643 CONECT 1717 1640 1718 1720 1724 CONECT 1718 1717 1719 CONECT 1719 1718 CONECT 1720 1717 1721 1722 1723 CONECT 1721 1720 CONECT 1722 1720 CONECT 1723 1720 CONECT 1724 1717 CONECT 1725 1640 CONECT 1726 1639 CONECT 1727 1636 1728 1729 1730 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1727 CONECT 1731 1636 CONECT 1732 1635 CONECT 1733 1632 1734 1747 1748 CONECT 1734 1733 1735 1745 1746 CONECT 1735 1734 1736 1743 1744 CONECT 1736 1735 1737 1741 1742 CONECT 1737 1736 1738 1739 1740 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1737 CONECT 1741 1736 CONECT 1742 1736 CONECT 1743 1735 CONECT 1744 1735 CONECT 1745 1734 CONECT 1746 1734 CONECT 1747 1733 CONECT 1748 1733 CONECT 1749 1632 CONECT 1750 1631 CONECT 1751 1628 1752 1754 1755 CONECT 1752 1751 1753 CONECT 1753 1752 CONECT 1754 1751 CONECT 1755 1751 CONECT 1756 1628 CONECT 1757 1627 CONECT 1758 1624 1759 1772 1773 CONECT 1759 1758 1760 1770 1771 CONECT 1760 1759 1761 1768 1769 CONECT 1761 1760 1762 1766 1767 CONECT 1762 1761 1763 1764 1765 CONECT 1763 1762 CONECT 1764 1762 CONECT 1765 1762 CONECT 1766 1761 CONECT 1767 1761 CONECT 1768 1760 CONECT 1769 1760 CONECT 1770 1759 CONECT 1771 1759 CONECT 1772 1758 CONECT 1773 1758 CONECT 1774 1624 CONECT 1775 1623 CONECT 1776 1620 1777 1781 1785 CONECT 1777 1776 1778 1779 1780 CONECT 1778 1777 CONECT 1779 1777 CONECT 1780 1777 CONECT 1781 1776 1782 1783 1784 CONECT 1782 1781 CONECT 1783 1781 CONECT 1784 1781 CONECT 1785 1776 CONECT 1786 1620 CONECT 1787 1619 CONECT 1788 1616 1789 1799 1800 CONECT 1789 1788 1790 1794 1798 CONECT 1790 1789 1791 1792 1793 CONECT 1791 1790 CONECT 1792 1790 CONECT 1793 1790 CONECT 1794 1789 1795 1796 1797 CONECT 1795 1794 CONECT 1796 1794 CONECT 1797 1794 CONECT 1798 1789 CONECT 1799 1788 CONECT 1800 1788 CONECT 1801 1616 CONECT 1802 1615 CONECT 1803 1615 CONECT 1804 1615 MASTER 0 0 0 0 0 0 0 0 1803 1 194 8 END
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Pocket-Ligand
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Related entries of code: 2w9r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
2w9r
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATP-Dependent Clp Protease Adapter Protein ClpS
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=4.8uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Embo Rep. Vol. 10: pp. 508-514
Ligand Properties
Formula
C
5
8
H
1
0
3
N
1
4
O
1
5
Molecular Weight
1236.520
Exact Mass
1235.770
No. of atoms
190
No. of bonds
190
Polar Surface Area
494.77
LOGP Value
-0.81 (
Computed with XLOGP3
)
-0.91 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 55
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C=O)CC(C)C)CC(C)C)CC(=O)N)[C@H](O)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)[NH3+])CCCC[NH3+])CO
InChI String
InChI=1S/C58H100N14O15/c1-30(2)23-39(61)50(79)71-47(33(7)8)57(86)66-41(16-12-14-22-60)52(81)70-45(29-74)56(85)65-40(15-11-13-21-59)51(80)63-34(9)49(78)72-48(35(10)75)58(87)69-44(27-46(62)77)55(84)68-43(25-32(5)6)54(83)67-42(24-31(3)4)53(82)64-37(28-73)26-36-17-19-38(76)20-18-36/h17-20,28,30-35,37,39-45,47-48,74-76H,11-16,21-27,29,59-61H2,1-10H3,(H2,62,77)(H,63,80)(H,64,82)(H,65,85)(H,66,86)(H,67,83)(H,68,84)(H,69,87)(H,70,81)(H,71,79)(H,72,78)/p+3/t34-,35+,37-,39-,40-,41-,42-,43-,44-,45-,47-,48-/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):
P0ABT2
P0A8Q6
Entrez Gene ID
NCBI Entrez Gene ID:
61751869
945101
61754099
948443
ASD
Information of known allosteric effects of PDB entries
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