Browse entries in the PDBbind-CN Database
HEADER 6CWN_COMPLEX COMPND 6CWN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 163 ALA LYS THR THR GLN GLU LYS PHE ASP ALA LEU LYS GLU SEQRES 2 A 163 ALA GLY VAL PHE SER GLY TYR PRO GLY THR THR ASP ALA SEQRES 3 A 163 LYS LEU GLY GLN ASP MET THR ARG ALA GLU PHE ALA LYS SEQRES 4 A 163 VAL LEU VAL LYS LEU PHE GLY LEU LYS GLU ILE HIS GLY SEQRES 5 A 163 GLN TYR SER TYR LYS ASP LYS ASN TYR ASP ALA LYS ASN SEQRES 6 A 163 TRP ALA ALA PRO PHE ILE GLU ALA VAL THR ALA GLU GLY SEQRES 7 A 163 LEU MET GLN ALA LYS ASP LEU THR LYS LYS ILE PHE ASP SEQRES 8 A 163 PHE ASN GLY LYS ILE THR VAL GLU GLU ALA SER LYS THR SEQRES 9 A 163 LEU VAL THR ALA LEU LYS LEU GLU PRO VAL LYS ASP ALA SEQRES 10 A 163 GLN ASN LYS ALA THR ASP TRP ALA LYS GLY TYR PHE GLU SEQRES 11 A 163 ALA ALA VAL ASN ALA GLY LEU PHE SER LYS ASP ALA ASN SEQRES 12 A 163 PRO LYS ALA ASN ALA THR ARG ALA GLN LEU VAL GLU ALA SEQRES 13 A 163 ALA PHE ALA ALA ASP GLU MET HET UNN A 340 39 ATOM 1 N ALA A 28 -8.741 6.900 31.713 1.00 23.00 N ATOM 2 CA ALA A 28 -8.430 5.701 32.495 1.00 20.56 C ATOM 3 C ALA A 28 -9.309 4.504 32.219 1.00 17.82 C ATOM 4 O ALA A 28 -9.147 3.478 32.874 1.00 18.98 O ATOM 5 CB ALA A 28 -8.553 6.031 33.976 1.00 28.86 C ATOM 6 HN3 ALA A 28 -9.717 7.198 31.911 1.00 0.00 H ATOM 7 HN2 ALA A 28 -8.641 6.687 30.700 1.00 0.00 H ATOM 8 HN1 ALA A 28 -8.084 7.663 31.975 1.00 0.00 H ATOM 9 N LYS A 29 -10.228 4.608 31.261 1.00 16.24 N ATOM 10 CA LYS A 29 -11.032 3.481 30.869 1.00 14.12 C ATOM 11 C LYS A 29 -10.107 2.413 30.284 1.00 12.66 C ATOM 12 O LYS A 29 -9.216 2.717 29.483 1.00 14.96 O ATOM 13 CB LYS A 29 -12.087 3.892 29.876 1.00 18.05 C ATOM 14 CG LYS A 29 -13.291 3.072 29.841 1.00 27.56 C ATOM 15 CD LYS A 29 -14.379 3.696 28.979 1.00 21.98 C ATOM 16 CE LYS A 29 -15.479 4.300 29.806 1.00 32.80 C ATOM 17 NZ LYS A 29 -16.468 3.258 30.194 1.00 36.79 N ATOM 18 HZ1 LYS A 29 -16.880 2.837 29.337 1.00 0.00 H ATOM 19 HZ2 LYS A 29 -15.992 2.520 30.750 1.00 0.00 H ATOM 20 HZ3 LYS A 29 -17.221 3.692 30.765 1.00 0.00 H ATOM 21 H LYS A 29 -10.368 5.523 30.786 1.00 0.00 H ATOM 22 N THR A 30 -10.241 1.206 30.758 1.00 12.13 N ATOM 23 CA THR A 30 -9.449 0.132 30.256 1.00 11.40 C ATOM 24 C THR A 30 -9.891 -0.223 28.804 1.00 11.76 C ATOM 25 O THR A 30 -11.042 0.042 28.384 1.00 11.80 O ATOM 26 CB THR A 30 -9.548 -1.151 31.115 1.00 12.02 C ATOM 27 OG1 THR A 30 -10.839 -1.721 30.969 1.00 13.45 O ATOM 28 CG2 THR A 30 -9.152 -0.919 32.576 1.00 12.72 C ATOM 29 HG1 THR A 30 -10.900 -2.542 31.519 1.00 0.00 H ATOM 30 H THR A 30 -10.934 1.024 31.512 1.00 0.00 H ATOM 31 N THR A 31 -9.029 -0.914 28.045 1.00 10.37 N ATOM 32 CA THR A 31 -9.447 -1.352 26.715 1.00 11.21 C ATOM 33 C THR A 31 -10.669 -2.262 26.789 1.00 11.06 C ATOM 34 O THR A 31 -11.591 -2.100 25.948 1.00 10.61 O ATOM 35 CB THR A 31 -8.301 -2.008 25.993 1.00 11.79 C ATOM 36 OG1 THR A 31 -7.186 -1.068 26.053 1.00 12.14 O ATOM 37 CG2 THR A 31 -8.667 -2.353 24.564 1.00 13.18 C ATOM 38 HG1 THR A 31 -7.446 -0.221 25.612 1.00 0.00 H ATOM 39 H THR A 31 -8.076 -1.135 28.398 1.00 0.00 H ATOM 40 N GLN A 32 -10.737 -3.144 27.808 1.00 10.84 N ATOM 41 CA GLN A 32 -11.923 -3.984 27.913 1.00 11.08 C ATOM 42 C GLN A 32 -13.175 -3.118 28.206 1.00 12.20 C ATOM 43 O GLN A 32 -14.255 -3.405 27.681 1.00 12.47 O ATOM 44 CB GLN A 32 -11.702 -4.979 29.044 1.00 14.34 C ATOM 45 CG GLN A 32 -12.919 -5.899 29.231 1.00 14.85 C ATOM 46 CD GLN A 32 -13.107 -6.894 28.124 1.00 18.00 C ATOM 47 OE1 GLN A 32 -12.239 -7.692 27.832 1.00 17.57 O ATOM 48 NE2 GLN A 32 -14.344 -6.936 27.572 1.00 18.76 N ATOM 49 HE22 GLN A 32 -15.061 -6.235 27.848 1.00 0.00 H ATOM 50 HE21 GLN A 32 -14.577 -7.670 26.872 1.00 0.00 H ATOM 51 H GLN A 32 -9.964 -3.222 28.499 1.00 0.00 H ATOM 52 N GLU A 33 -13.048 -2.107 29.044 1.00 12.46 N ATOM 53 CA GLU A 33 -14.201 -1.222 29.338 1.00 12.61 C ATOM 54 C GLU A 33 -14.674 -0.498 28.049 1.00 13.36 C ATOM 55 O GLU A 33 -15.867 -0.331 27.797 1.00 14.64 O ATOM 56 CB GLU A 33 -13.805 -0.240 30.392 1.00 15.18 C ATOM 57 CG GLU A 33 -13.794 -0.909 31.751 1.00 19.02 C ATOM 58 CD GLU A 33 -13.056 -0.238 32.856 1.00 25.34 C ATOM 59 OE1 GLU A 33 -12.455 0.821 32.718 1.00 18.35 O ATOM 60 OE2 GLU A 33 -13.096 -0.870 33.939 1.00 37.41 O ATOM 61 H GLU A 33 -12.132 -1.929 29.502 1.00 0.00 H ATOM 62 N LYS A 34 -13.719 -0.079 27.215 1.00 11.42 N ATOM 63 CA LYS A 34 -14.029 0.519 25.934 1.00 11.38 C ATOM 64 C LYS A 34 -14.736 -0.496 25.002 1.00 11.14 C ATOM 65 O LYS A 34 -15.727 -0.123 24.320 1.00 11.30 O ATOM 66 CB LYS A 34 -12.787 1.092 25.296 1.00 10.73 C ATOM 67 CG LYS A 34 -12.263 2.298 26.033 1.00 11.63 C ATOM 68 CD LYS A 34 -11.030 2.892 25.461 1.00 11.71 C ATOM 69 CE LYS A 34 -10.557 4.098 26.206 1.00 17.97 C ATOM 70 NZ LYS A 34 -9.341 4.733 25.736 1.00 22.49 N ATOM 71 HZ1 LYS A 34 -8.556 4.052 25.781 1.00 0.00 H ATOM 72 HZ2 LYS A 34 -9.473 5.047 24.753 1.00 0.00 H ATOM 73 HZ3 LYS A 34 -9.125 5.554 26.337 1.00 0.00 H ATOM 74 H LYS A 34 -12.723 -0.186 27.494 1.00 0.00 H ATOM 75 N PHE A 35 -14.234 -1.706 24.937 1.00 10.65 N ATOM 76 CA PHE A 35 -14.913 -2.764 24.214 1.00 10.87 C ATOM 77 C PHE A 35 -16.340 -2.957 24.684 1.00 11.89 C ATOM 78 O PHE A 35 -17.251 -2.992 23.849 1.00 12.87 O ATOM 79 CB PHE A 35 -14.097 -4.042 24.256 1.00 12.41 C ATOM 80 CG PHE A 35 -14.803 -5.209 23.654 1.00 11.61 C ATOM 81 CD1 PHE A 35 -15.730 -5.914 24.397 1.00 14.10 C ATOM 82 CD2 PHE A 35 -14.573 -5.584 22.324 1.00 13.09 C ATOM 83 CE1 PHE A 35 -16.399 -7.014 23.854 1.00 16.33 C ATOM 84 CE2 PHE A 35 -15.267 -6.678 21.765 1.00 12.80 C ATOM 85 CZ PHE A 35 -16.187 -7.377 22.550 1.00 13.17 C ATOM 86 H PHE A 35 -13.332 -1.911 25.413 1.00 0.00 H ATOM 87 N ASP A 36 -16.532 -2.986 26.002 1.00 12.20 N ATOM 88 CA ASP A 36 -17.867 -3.236 26.535 1.00 13.98 C ATOM 89 C ASP A 36 -18.791 -2.072 26.169 1.00 14.20 C ATOM 90 O ASP A 36 -19.927 -2.344 25.848 1.00 16.13 O ATOM 91 CB ASP A 36 -17.786 -3.378 28.042 1.00 16.02 C ATOM 92 CG ASP A 36 -17.076 -4.673 28.498 1.00 18.45 C ATOM 93 OD1 ASP A 36 -16.834 -5.600 27.749 1.00 22.46 O ATOM 94 OD2 ASP A 36 -16.786 -4.796 29.699 1.00 26.10 O ATOM 95 H ASP A 36 -15.733 -2.831 26.649 1.00 0.00 H ATOM 96 N ALA A 37 -18.322 -0.835 26.178 1.00 12.79 N ATOM 97 CA ALA A 37 -19.144 0.298 25.799 1.00 15.00 C ATOM 98 C ALA A 37 -19.530 0.185 24.317 1.00 14.83 C ATOM 99 O ALA A 37 -20.641 0.445 23.897 1.00 17.29 O ATOM 100 CB ALA A 37 -18.416 1.599 26.049 1.00 15.23 C ATOM 101 H ALA A 37 -17.336 -0.670 26.465 1.00 0.00 H ATOM 102 N LEU A 38 -18.532 -0.145 23.482 1.00 13.24 N ATOM 103 CA LEU A 38 -18.785 -0.279 22.045 1.00 11.24 C ATOM 104 C LEU A 38 -19.689 -1.457 21.703 1.00 12.67 C ATOM 105 O LEU A 38 -20.417 -1.412 20.692 1.00 13.86 O ATOM 106 CB LEU A 38 -17.428 -0.433 21.316 1.00 11.16 C ATOM 107 CG LEU A 38 -16.580 0.831 21.228 1.00 12.79 C ATOM 108 CD1 LEU A 38 -15.150 0.527 20.882 1.00 13.86 C ATOM 109 CD2 LEU A 38 -17.180 1.795 20.187 1.00 18.18 C ATOM 110 H LEU A 38 -17.575 -0.306 23.857 1.00 0.00 H ATOM 111 N LYS A 39 -19.690 -2.509 22.516 1.00 13.12 N ATOM 112 CA LYS A 39 -20.548 -3.650 22.332 1.00 15.57 C ATOM 113 C LYS A 39 -21.978 -3.199 22.686 1.00 17.33 C ATOM 114 O LYS A 39 -22.925 -3.542 21.949 1.00 18.18 O ATOM 115 CB LYS A 39 -20.099 -4.840 23.192 1.00 16.89 C ATOM 116 CG LYS A 39 -20.947 -6.075 23.073 1.00 19.68 C ATOM 117 CD LYS A 39 -20.279 -7.328 23.698 1.00 24.79 C ATOM 118 CE LYS A 39 -21.169 -8.552 23.602 1.00 27.96 C ATOM 119 NZ LYS A 39 -20.554 -9.655 24.381 1.00 38.68 N ATOM 120 HZ1 LYS A 39 -19.614 -9.871 23.991 1.00 0.00 H ATOM 121 HZ2 LYS A 39 -20.460 -9.365 25.375 1.00 0.00 H ATOM 122 HZ3 LYS A 39 -21.158 -10.499 24.321 1.00 0.00 H ATOM 123 H LYS A 39 -19.038 -2.507 23.326 1.00 0.00 H ATOM 124 N GLU A 40 -22.142 -2.415 23.766 1.00 17.82 N ATOM 125 CA GLU A 40 -23.469 -1.840 24.109 1.00 22.10 C ATOM 126 C GLU A 40 -24.022 -0.971 22.981 1.00 23.33 C ATOM 127 O GLU A 40 -25.215 -1.003 22.689 1.00 22.70 O ATOM 128 CB GLU A 40 -23.385 -1.036 25.432 1.00 25.11 C ATOM 129 CG GLU A 40 -23.254 -1.834 26.712 1.00 42.63 C ATOM 130 CD GLU A 40 -24.373 -2.820 26.851 1.00 47.45 C ATOM 131 OE1 GLU A 40 -25.495 -2.450 26.462 1.00 45.02 O ATOM 132 OE2 GLU A 40 -24.117 -3.957 27.286 1.00 67.17 O ATOM 133 H GLU A 40 -21.324 -2.207 24.374 1.00 0.00 H ATOM 134 N ALA A 41 -23.126 -0.287 22.271 1.00 18.70 N ATOM 135 CA ALA A 41 -23.460 0.595 21.150 1.00 20.02 C ATOM 136 C ALA A 41 -23.640 -0.141 19.819 1.00 20.26 C ATOM 137 O ALA A 41 -24.078 0.466 18.859 1.00 25.48 O ATOM 138 CB ALA A 41 -22.411 1.664 20.988 1.00 20.69 C ATOM 139 H ALA A 41 -22.123 -0.386 22.530 1.00 0.00 H ATOM 140 N GLY A 42 -23.341 -1.425 19.776 1.00 17.31 N ATOM 141 CA GLY A 42 -23.503 -2.189 18.578 1.00 17.51 C ATOM 142 C GLY A 42 -22.339 -2.177 17.583 1.00 15.13 C ATOM 143 O GLY A 42 -22.440 -2.785 16.521 1.00 17.30 O ATOM 144 H GLY A 42 -22.980 -1.892 20.632 1.00 0.00 H ATOM 145 N VAL A 43 -21.223 -1.581 17.952 1.00 13.89 N ATOM 146 CA VAL A 43 -20.057 -1.469 17.060 1.00 13.62 C ATOM 147 C VAL A 43 -19.261 -2.735 17.104 1.00 13.36 C ATOM 148 O VAL A 43 -18.768 -3.196 16.058 1.00 14.84 O ATOM 149 CB VAL A 43 -19.202 -0.273 17.409 1.00 14.04 C ATOM 150 CG1 VAL A 43 -17.921 -0.215 16.577 1.00 14.64 C ATOM 151 CG2 VAL A 43 -19.963 1.038 17.208 1.00 15.22 C ATOM 152 H VAL A 43 -21.164 -1.175 18.908 1.00 0.00 H ATOM 153 N PHE A 44 -19.064 -3.274 18.302 1.00 12.63 N ATOM 154 CA PHE A 44 -18.553 -4.578 18.480 1.00 12.19 C ATOM 155 C PHE A 44 -19.602 -5.561 18.954 1.00 14.55 C ATOM 156 O PHE A 44 -20.585 -5.153 19.550 1.00 17.65 O ATOM 157 CB PHE A 44 -17.331 -4.603 19.488 1.00 14.56 C ATOM 158 CG PHE A 44 -16.034 -4.099 18.905 1.00 12.71 C ATOM 159 CD1 PHE A 44 -15.772 -2.731 18.735 1.00 15.29 C ATOM 160 CD2 PHE A 44 -15.089 -5.012 18.476 1.00 12.04 C ATOM 161 CE1 PHE A 44 -14.561 -2.295 18.192 1.00 13.82 C ATOM 162 CE2 PHE A 44 -13.879 -4.549 17.930 1.00 11.76 C ATOM 163 CZ PHE A 44 -13.660 -3.212 17.803 1.00 11.26 C ATOM 164 H PHE A 44 -19.296 -2.711 19.145 1.00 0.00 H ATOM 165 N SER A 45 -19.317 -6.836 18.762 1.00 14.08 N ATOM 166 CA SER A 45 -20.183 -7.937 19.239 1.00 15.14 C ATOM 167 C SER A 45 -19.434 -9.082 19.897 1.00 15.27 C ATOM 168 O SER A 45 -20.061 -9.907 20.564 1.00 20.86 O ATOM 169 CB SER A 45 -21.068 -8.451 18.133 1.00 22.48 C ATOM 170 OG SER A 45 -20.274 -9.198 17.275 1.00 30.38 O ATOM 171 HG SER A 45 -19.870 -9.952 17.774 1.00 0.00 H ATOM 172 H SER A 45 -18.443 -7.078 18.252 1.00 0.00 H ATOM 173 N GLY A 46 -18.078 -9.078 19.832 1.00 12.92 N ATOM 174 CA GLY A 46 -17.308 -10.219 20.191 1.00 13.77 C ATOM 175 C GLY A 46 -17.567 -11.447 19.318 1.00 14.24 C ATOM 176 O GLY A 46 -18.035 -11.324 18.169 1.00 15.11 O ATOM 177 H GLY A 46 -17.589 -8.218 19.511 1.00 0.00 H ATOM 178 N TYR A 47 -17.163 -12.601 19.831 1.00 15.22 N ATOM 179 CA TYR A 47 -17.232 -13.905 19.148 1.00 14.68 C ATOM 180 C TYR A 47 -18.419 -14.682 19.626 1.00 17.33 C ATOM 181 O TYR A 47 -18.838 -14.565 20.816 1.00 20.97 O ATOM 182 CB TYR A 47 -15.949 -14.698 19.294 1.00 14.79 C ATOM 183 CG TYR A 47 -14.731 -14.002 18.705 1.00 14.70 C ATOM 184 CD1 TYR A 47 -13.979 -13.089 19.458 1.00 16.26 C ATOM 185 CD2 TYR A 47 -14.325 -14.271 17.391 1.00 13.48 C ATOM 186 CE1 TYR A 47 -12.895 -12.463 18.876 1.00 14.49 C ATOM 187 CE2 TYR A 47 -13.240 -13.668 16.823 1.00 13.43 C ATOM 188 CZ TYR A 47 -12.543 -12.769 17.559 1.00 13.54 C ATOM 189 OH TYR A 47 -11.481 -12.113 16.970 1.00 13.96 O ATOM 190 HH TYR A 47 -11.804 -11.601 16.187 1.00 0.00 H ATOM 191 H TYR A 47 -16.766 -12.585 20.792 1.00 0.00 H ATOM 192 N PRO A 48 -18.996 -15.512 18.735 1.00 19.89 N ATOM 193 CA PRO A 48 -20.111 -16.320 19.171 1.00 22.69 C ATOM 194 C PRO A 48 -19.761 -17.284 20.288 1.00 20.96 C ATOM 195 O PRO A 48 -18.713 -17.900 20.296 1.00 27.18 O ATOM 196 CB PRO A 48 -20.477 -17.109 17.935 1.00 25.42 C ATOM 197 CG PRO A 48 -19.843 -16.435 16.790 1.00 22.94 C ATOM 198 CD PRO A 48 -18.692 -15.655 17.307 1.00 19.95 C ATOM 199 N GLY A 49 -20.616 -17.314 21.273 1.00 27.31 N ATOM 200 CA GLY A 49 -20.559 -18.330 22.326 1.00 33.31 C ATOM 201 C GLY A 49 -19.485 -18.098 23.374 1.00 29.82 C ATOM 202 O GLY A 49 -19.199 -19.023 24.133 1.00 38.71 O ATOM 203 H GLY A 49 -21.363 -16.592 21.312 1.00 0.00 H ATOM 204 N THR A 50 -18.871 -16.919 23.396 1.00 26.77 N ATOM 205 CA THR A 50 -17.842 -16.644 24.398 1.00 25.51 C ATOM 206 C THR A 50 -17.817 -15.168 24.720 1.00 26.54 C ATOM 207 O THR A 50 -18.164 -14.354 23.887 1.00 25.30 O ATOM 208 CB THR A 50 -16.414 -17.115 24.002 1.00 27.33 C ATOM 209 OG1 THR A 50 -15.518 -16.714 25.045 1.00 27.80 O ATOM 210 CG2 THR A 50 -15.902 -16.454 22.695 1.00 27.27 C ATOM 211 HG1 THR A 50 -15.796 -17.135 25.897 1.00 0.00 H ATOM 212 H THR A 50 -19.123 -16.190 22.698 1.00 0.00 H ATOM 213 N THR A 51 -17.451 -14.853 25.967 1.00 27.58 N ATOM 214 CA THR A 51 -17.263 -13.450 26.401 1.00 25.31 C ATOM 215 C THR A 51 -15.820 -12.992 26.221 1.00 23.99 C ATOM 216 O THR A 51 -15.494 -11.863 26.533 1.00 26.70 O ATOM 217 CB THR A 51 -17.625 -13.263 27.877 1.00 28.72 C ATOM 218 OG1 THR A 51 -16.915 -14.242 28.658 1.00 36.69 O ATOM 219 CG2 THR A 51 -19.169 -13.350 28.076 1.00 37.70 C ATOM 220 HG1 THR A 51 -17.174 -15.150 28.361 1.00 0.00 H ATOM 221 H THR A 51 -17.293 -15.618 26.654 1.00 0.00 H ATOM 222 N ASP A 52 -14.954 -13.844 25.701 1.00 21.20 N ATOM 223 CA ASP A 52 -13.553 -13.416 25.476 1.00 21.56 C ATOM 224 C ASP A 52 -13.532 -12.539 24.243 1.00 19.81 C ATOM 225 O ASP A 52 -13.885 -13.005 23.161 1.00 19.01 O ATOM 226 CB ASP A 52 -12.710 -14.664 25.213 1.00 23.94 C ATOM 227 CG ASP A 52 -11.217 -14.385 25.107 1.00 26.14 C ATOM 228 OD1 ASP A 52 -10.771 -13.221 25.151 1.00 25.63 O ATOM 229 OD2 ASP A 52 -10.494 -15.397 24.946 1.00 31.44 O ATOM 230 H ASP A 52 -15.253 -14.808 25.451 1.00 0.00 H ATOM 231 N ALA A 53 -13.173 -11.278 24.402 1.00 16.69 N ATOM 232 CA ALA A 53 -12.977 -10.352 23.313 1.00 14.20 C ATOM 233 C ALA A 53 -11.715 -10.525 22.521 1.00 14.39 C ATOM 234 O ALA A 53 -11.604 -9.909 21.422 1.00 13.44 O ATOM 235 CB ALA A 53 -13.023 -8.898 23.808 1.00 15.76 C ATOM 236 H ALA A 53 -13.022 -10.931 25.371 1.00 0.00 H ATOM 237 N LYS A 54 -10.811 -11.377 23.001 1.00 14.35 N ATOM 238 CA LYS A 54 -9.508 -11.651 22.348 1.00 15.17 C ATOM 239 C LYS A 54 -8.765 -10.359 21.981 1.00 12.32 C ATOM 240 O LYS A 54 -8.258 -10.205 20.829 1.00 12.20 O ATOM 241 CB LYS A 54 -9.728 -12.572 21.109 1.00 15.32 C ATOM 242 CG LYS A 54 -10.604 -13.789 21.441 1.00 17.27 C ATOM 243 CD LYS A 54 -10.707 -14.780 20.301 1.00 19.89 C ATOM 244 CE LYS A 54 -11.735 -15.833 20.639 1.00 28.95 C ATOM 245 NZ LYS A 54 -11.796 -16.816 19.524 1.00 32.97 N ATOM 246 HZ1 LYS A 54 -12.066 -16.327 18.647 1.00 0.00 H ATOM 247 HZ2 LYS A 54 -10.863 -17.259 19.402 1.00 0.00 H ATOM 248 HZ3 LYS A 54 -12.502 -17.547 19.746 1.00 0.00 H ATOM 249 H LYS A 54 -11.031 -11.879 23.885 1.00 0.00 H ATOM 250 N LEU A 55 -8.610 -9.473 22.940 1.00 12.37 N ATOM 251 CA LEU A 55 -8.043 -8.163 22.682 1.00 12.93 C ATOM 252 C LEU A 55 -6.586 -8.238 22.292 1.00 12.01 C ATOM 253 O LEU A 55 -6.115 -7.336 21.593 1.00 14.28 O ATOM 254 CB LEU A 55 -8.199 -7.276 23.909 1.00 15.73 C ATOM 255 CG LEU A 55 -9.634 -6.984 24.238 1.00 19.04 C ATOM 256 CD1 LEU A 55 -9.660 -6.314 25.641 1.00 23.41 C ATOM 257 CD2 LEU A 55 -10.356 -6.202 23.231 1.00 21.44 C ATOM 258 H LEU A 55 -8.901 -9.718 23.908 1.00 0.00 H ATOM 259 N GLY A 56 -5.855 -9.288 22.717 1.00 12.41 N ATOM 260 CA GLY A 56 -4.452 -9.311 22.343 1.00 14.89 C ATOM 261 C GLY A 56 -4.129 -9.903 20.996 1.00 15.70 C ATOM 262 O GLY A 56 -2.967 -9.883 20.586 1.00 19.96 O ATOM 263 H GLY A 56 -6.277 -10.048 23.288 1.00 0.00 H ATOM 264 N GLN A 57 -5.108 -10.501 20.306 1.00 12.07 N ATOM 265 CA GLN A 57 -4.807 -11.039 18.994 1.00 13.96 C ATOM 266 C GLN A 57 -4.934 -10.022 17.885 1.00 11.37 C ATOM 267 O GLN A 57 -5.619 -9.008 18.032 1.00 12.21 O ATOM 268 CB GLN A 57 -5.552 -12.236 18.737 1.00 20.17 C ATOM 269 CG GLN A 57 -6.954 -12.174 18.538 1.00 21.25 C ATOM 270 CD GLN A 57 -7.609 -13.593 18.206 1.00 22.11 C ATOM 271 OE1 GLN A 57 -7.241 -14.661 18.752 1.00 30.25 O ATOM 272 NE2 GLN A 57 -8.587 -13.565 17.354 1.00 16.75 N ATOM 273 HE22 GLN A 57 -8.870 -12.665 16.917 1.00 0.00 H ATOM 274 HE21 GLN A 57 -9.088 -14.443 17.108 1.00 0.00 H ATOM 275 H GLN A 57 -6.066 -10.578 20.704 1.00 0.00 H ATOM 276 N ASP A 58 -4.197 -10.255 16.795 1.00 11.73 N ATOM 277 CA ASP A 58 -4.247 -9.422 15.630 1.00 12.16 C ATOM 278 C ASP A 58 -5.639 -9.373 15.025 1.00 10.36 C ATOM 279 O ASP A 58 -6.284 -10.417 14.866 1.00 13.26 O ATOM 280 CB ASP A 58 -3.218 -9.899 14.589 1.00 12.37 C ATOM 281 CG ASP A 58 -1.752 -9.732 15.025 1.00 17.67 C ATOM 282 OD1 ASP A 58 -1.515 -9.023 16.012 1.00 17.73 O ATOM 283 OD2 ASP A 58 -0.882 -10.371 14.389 1.00 21.66 O ATOM 284 H ASP A 58 -3.559 -11.077 16.792 1.00 0.00 H ATOM 285 N MET A 59 -6.092 -8.184 14.712 1.00 8.39 N ATOM 286 CA MET A 59 -7.403 -8.066 14.015 1.00 8.24 C ATOM 287 C MET A 59 -7.298 -8.546 12.576 1.00 8.66 C ATOM 288 O MET A 59 -6.284 -8.330 11.910 1.00 10.89 O ATOM 289 CB MET A 59 -7.974 -6.635 14.060 1.00 11.29 C ATOM 290 CG MET A 59 -9.419 -6.575 13.595 1.00 16.21 C ATOM 291 SD MET A 59 -10.319 -5.001 13.807 1.00 17.99 S ATOM 292 CE MET A 59 -10.968 -5.184 15.461 1.00 19.51 C ATOM 293 H MET A 59 -5.543 -7.333 14.947 1.00 0.00 H ATOM 294 N THR A 60 -8.354 -9.199 12.074 1.00 7.06 N ATOM 295 CA THR A 60 -8.403 -9.535 10.676 1.00 7.27 C ATOM 296 C THR A 60 -9.054 -8.481 9.801 1.00 5.61 C ATOM 297 O THR A 60 -9.736 -7.572 10.267 1.00 7.49 O ATOM 298 CB THR A 60 -9.115 -10.827 10.439 1.00 7.59 C ATOM 299 OG1 THR A 60 -10.495 -10.634 10.734 1.00 8.91 O ATOM 300 CG2 THR A 60 -8.566 -11.965 11.240 1.00 9.16 C ATOM 301 HG1 THR A 60 -10.985 -11.481 10.583 1.00 0.00 H ATOM 302 H THR A 60 -9.143 -9.465 12.698 1.00 0.00 H ATOM 303 N ARG A 61 -8.804 -8.594 8.500 1.00 6.27 N ATOM 304 CA ARG A 61 -9.418 -7.719 7.535 1.00 6.05 C ATOM 305 C ARG A 61 -10.934 -7.805 7.590 1.00 5.55 C ATOM 306 O ARG A 61 -11.615 -6.761 7.475 1.00 6.70 O ATOM 307 CB ARG A 61 -8.861 -8.017 6.159 1.00 7.13 C ATOM 308 CG ARG A 61 -7.402 -7.496 6.002 1.00 7.10 C ATOM 309 CD ARG A 61 -6.682 -8.068 4.815 1.00 7.66 C ATOM 310 NE ARG A 61 -7.309 -7.887 3.546 1.00 8.03 N ATOM 311 CZ ARG A 61 -7.431 -6.742 2.917 1.00 9.06 C ATOM 312 NH1 ARG A 61 -6.874 -5.627 3.361 1.00 10.77 N ATOM 313 NH2 ARG A 61 -8.070 -6.736 1.767 1.00 10.74 N ATOM 314 HE ARG A 61 -7.701 -8.731 3.082 1.00 0.00 H ATOM 315 HH12 ARG A 61 -6.995 -4.739 2.833 1.00 0.00 H ATOM 316 HH11 ARG A 61 -6.316 -5.638 4.238 1.00 0.00 H ATOM 317 HH22 ARG A 61 -8.186 -5.846 1.241 1.00 0.00 H ATOM 318 HH21 ARG A 61 -8.460 -7.621 1.384 1.00 0.00 H ATOM 319 H ARG A 61 -8.149 -9.332 8.171 1.00 0.00 H ATOM 320 N ALA A 62 -11.500 -9.001 7.730 1.00 6.15 N ATOM 321 CA ALA A 62 -12.942 -9.175 7.883 1.00 5.73 C ATOM 322 C ALA A 62 -13.452 -8.437 9.097 1.00 5.88 C ATOM 323 O ALA A 62 -14.513 -7.758 9.046 1.00 7.34 O ATOM 324 CB ALA A 62 -13.275 -10.633 8.001 1.00 7.07 C ATOM 325 H ALA A 62 -10.892 -9.845 7.730 1.00 0.00 H ATOM 326 N GLU A 63 -12.781 -8.557 10.214 1.00 6.18 N ATOM 327 CA GLU A 63 -13.224 -7.904 11.451 1.00 5.85 C ATOM 328 C GLU A 63 -13.146 -6.390 11.318 1.00 6.19 C ATOM 329 O GLU A 63 -14.057 -5.640 11.760 1.00 7.30 O ATOM 330 CB GLU A 63 -12.346 -8.373 12.616 1.00 6.78 C ATOM 331 CG GLU A 63 -12.601 -9.823 13.019 1.00 7.00 C ATOM 332 CD GLU A 63 -11.633 -10.456 14.003 1.00 8.50 C ATOM 333 OE1 GLU A 63 -10.621 -9.797 14.337 1.00 9.95 O ATOM 334 OE2 GLU A 63 -11.939 -11.609 14.388 1.00 11.88 O ATOM 335 H GLU A 63 -11.913 -9.129 10.225 1.00 0.00 H ATOM 336 N PHE A 64 -12.103 -5.876 10.660 1.00 5.74 N ATOM 337 CA PHE A 64 -11.969 -4.437 10.480 1.00 6.03 C ATOM 338 C PHE A 64 -13.105 -3.950 9.568 1.00 6.58 C ATOM 339 O PHE A 64 -13.681 -2.889 9.841 1.00 7.00 O ATOM 340 CB PHE A 64 -10.591 -4.144 9.886 1.00 6.83 C ATOM 341 CG PHE A 64 -10.280 -2.678 9.730 1.00 7.36 C ATOM 342 CD1 PHE A 64 -10.332 -1.841 10.751 1.00 10.31 C ATOM 343 CD2 PHE A 64 -9.752 -2.211 8.563 1.00 9.51 C ATOM 344 CE1 PHE A 64 -9.992 -0.486 10.646 1.00 10.58 C ATOM 345 CE2 PHE A 64 -9.361 -0.911 8.448 1.00 9.88 C ATOM 346 CZ PHE A 64 -9.462 -0.069 9.469 1.00 10.12 C ATOM 347 H PHE A 64 -11.377 -6.512 10.271 1.00 0.00 H ATOM 348 N ALA A 65 -13.450 -4.690 8.509 1.00 6.38 N ATOM 349 CA ALA A 65 -14.566 -4.305 7.616 1.00 6.47 C ATOM 350 C ALA A 65 -15.845 -4.149 8.451 1.00 6.30 C ATOM 351 O ALA A 65 -16.564 -3.162 8.254 1.00 6.26 O ATOM 352 CB ALA A 65 -14.770 -5.304 6.502 1.00 6.02 C ATOM 353 H ALA A 65 -12.919 -5.561 8.307 1.00 0.00 H ATOM 354 N LYS A 66 -16.118 -5.097 9.330 1.00 5.60 N ATOM 355 CA LYS A 66 -17.322 -5.020 10.174 1.00 5.92 C ATOM 356 C LYS A 66 -17.303 -3.734 11.016 1.00 6.79 C ATOM 357 O LYS A 66 -18.312 -2.972 11.105 1.00 7.38 O ATOM 358 CB LYS A 66 -17.459 -6.274 11.008 1.00 7.87 C ATOM 359 CG LYS A 66 -18.790 -6.500 11.694 1.00 12.06 C ATOM 360 CD LYS A 66 -19.153 -5.580 12.736 1.00 21.09 C ATOM 361 CE LYS A 66 -18.433 -5.783 14.007 1.00 25.52 C ATOM 362 NZ LYS A 66 -19.145 -6.700 15.033 1.00 21.33 N ATOM 363 HZ1 LYS A 66 -20.069 -6.291 15.279 1.00 0.00 H ATOM 364 HZ2 LYS A 66 -19.282 -7.643 14.617 1.00 0.00 H ATOM 365 HZ3 LYS A 66 -18.561 -6.779 15.890 1.00 0.00 H ATOM 366 H LYS A 66 -15.474 -5.908 9.427 1.00 0.00 H ATOM 367 N VAL A 67 -16.189 -3.467 11.710 1.00 6.41 N ATOM 368 CA VAL A 67 -16.113 -2.342 12.599 1.00 7.82 C ATOM 369 C VAL A 67 -16.293 -1.050 11.777 1.00 6.89 C ATOM 370 O VAL A 67 -16.995 -0.133 12.205 1.00 7.77 O ATOM 371 CB VAL A 67 -14.755 -2.361 13.363 1.00 9.21 C ATOM 372 CG1 VAL A 67 -14.571 -1.050 14.149 1.00 10.16 C ATOM 373 CG2 VAL A 67 -14.758 -3.565 14.315 1.00 10.14 C ATOM 374 H VAL A 67 -15.361 -4.088 11.603 1.00 0.00 H ATOM 375 N LEU A 68 -15.710 -0.953 10.576 1.00 6.42 N ATOM 376 CA LEU A 68 -15.868 0.246 9.733 1.00 7.03 C ATOM 377 C LEU A 68 -17.351 0.464 9.432 1.00 5.65 C ATOM 378 O LEU A 68 -17.864 1.604 9.475 1.00 7.10 O ATOM 379 CB LEU A 68 -15.099 0.116 8.451 1.00 7.38 C ATOM 380 CG LEU A 68 -13.581 0.182 8.595 1.00 8.85 C ATOM 381 CD1 LEU A 68 -12.957 -0.230 7.248 1.00 10.69 C ATOM 382 CD2 LEU A 68 -13.075 1.569 9.062 1.00 9.67 C ATOM 383 H LEU A 68 -15.131 -1.744 10.229 1.00 0.00 H ATOM 384 N VAL A 69 -18.035 -0.602 9.013 1.00 5.52 N ATOM 385 CA VAL A 69 -19.466 -0.457 8.717 1.00 5.14 C ATOM 386 C VAL A 69 -20.273 0.054 9.865 1.00 6.87 C ATOM 387 O VAL A 69 -21.098 0.976 9.693 1.00 8.04 O ATOM 388 CB VAL A 69 -20.039 -1.819 8.201 1.00 6.36 C ATOM 389 CG1 VAL A 69 -21.565 -1.848 8.175 1.00 7.39 C ATOM 390 CG2 VAL A 69 -19.443 -2.148 6.852 1.00 7.05 C ATOM 391 H VAL A 69 -17.562 -1.521 8.898 1.00 0.00 H ATOM 392 N LYS A 70 -20.033 -0.483 11.041 1.00 7.47 N ATOM 393 CA LYS A 70 -20.801 -0.048 12.207 1.00 7.95 C ATOM 394 C LYS A 70 -20.423 1.373 12.639 1.00 8.79 C ATOM 395 O LYS A 70 -21.318 2.196 12.942 1.00 11.73 O ATOM 396 CB LYS A 70 -20.518 -1.021 13.345 1.00 9.57 C ATOM 397 CG LYS A 70 -21.038 -2.433 13.139 1.00 10.35 C ATOM 398 CD LYS A 70 -22.527 -2.518 13.010 1.00 12.95 C ATOM 399 CE LYS A 70 -22.886 -3.972 12.945 1.00 16.18 C ATOM 400 NZ LYS A 70 -24.347 -4.193 12.768 1.00 20.41 N ATOM 401 HZ1 LYS A 70 -24.860 -3.772 13.569 1.00 0.00 H ATOM 402 HZ2 LYS A 70 -24.659 -3.746 11.882 1.00 0.00 H ATOM 403 HZ3 LYS A 70 -24.540 -5.214 12.729 1.00 0.00 H ATOM 404 H LYS A 70 -19.300 -1.214 11.142 1.00 0.00 H ATOM 405 N LEU A 71 -19.135 1.708 12.642 1.00 7.59 N ATOM 406 CA LEU A 71 -18.685 3.024 13.060 1.00 9.43 C ATOM 407 C LEU A 71 -19.212 4.138 12.161 1.00 9.57 C ATOM 408 O LEU A 71 -19.532 5.236 12.630 1.00 12.90 O ATOM 409 CB LEU A 71 -17.161 3.128 13.060 1.00 11.12 C ATOM 410 CG LEU A 71 -16.374 2.674 14.207 1.00 14.70 C ATOM 411 CD1 LEU A 71 -14.895 2.820 13.859 1.00 16.01 C ATOM 412 CD2 LEU A 71 -16.743 3.458 15.495 1.00 14.54 C ATOM 413 H LEU A 71 -18.430 1.007 12.336 1.00 0.00 H ATOM 414 N PHE A 72 -19.189 3.894 10.839 1.00 8.39 N ATOM 415 CA PHE A 72 -19.460 4.943 9.869 1.00 10.46 C ATOM 416 C PHE A 72 -20.874 4.897 9.281 1.00 10.95 C ATOM 417 O PHE A 72 -21.189 5.626 8.316 1.00 14.43 O ATOM 418 CB PHE A 72 -18.355 4.954 8.859 1.00 9.69 C ATOM 419 CG PHE A 72 -17.040 5.327 9.468 1.00 10.94 C ATOM 420 CD1 PHE A 72 -16.801 6.643 9.889 1.00 11.88 C ATOM 421 CD2 PHE A 72 -16.054 4.388 9.755 1.00 10.26 C ATOM 422 CE1 PHE A 72 -15.656 6.978 10.560 1.00 13.13 C ATOM 423 CE2 PHE A 72 -14.900 4.721 10.421 1.00 11.92 C ATOM 424 CZ PHE A 72 -14.697 6.034 10.798 1.00 12.52 C ATOM 425 H PHE A 72 -18.973 2.934 10.503 1.00 0.00 H ATOM 426 N GLY A 73 -21.704 3.984 9.777 1.00 8.65 N ATOM 427 CA GLY A 73 -23.110 3.948 9.320 1.00 9.94 C ATOM 428 C GLY A 73 -23.244 3.539 7.882 1.00 9.43 C ATOM 429 O GLY A 73 -24.167 3.964 7.171 1.00 12.40 O ATOM 430 H GLY A 73 -21.366 3.299 10.483 1.00 0.00 H ATOM 431 N LEU A 74 -22.389 2.587 7.452 1.00 8.38 N ATOM 432 CA LEU A 74 -22.512 2.041 6.109 1.00 7.63 C ATOM 433 C LEU A 74 -23.571 0.947 6.146 1.00 7.30 C ATOM 434 O LEU A 74 -23.936 0.431 7.195 1.00 9.93 O ATOM 435 CB LEU A 74 -21.176 1.487 5.625 1.00 8.05 C ATOM 436 CG LEU A 74 -19.986 2.393 5.759 1.00 8.23 C ATOM 437 CD1 LEU A 74 -18.726 1.685 5.252 1.00 9.35 C ATOM 438 CD2 LEU A 74 -20.242 3.716 5.046 1.00 11.10 C ATOM 439 H LEU A 74 -21.638 2.242 8.084 1.00 0.00 H ATOM 440 N LYS A 75 -24.136 0.623 4.992 1.00 7.49 N ATOM 441 CA LYS A 75 -25.164 -0.391 4.868 1.00 8.42 C ATOM 442 C LYS A 75 -24.578 -1.686 4.358 1.00 8.55 C ATOM 443 O LYS A 75 -23.924 -1.739 3.284 1.00 8.28 O ATOM 444 CB LYS A 75 -26.271 0.103 3.972 1.00 12.03 C ATOM 445 CG LYS A 75 -27.079 1.207 4.543 1.00 20.69 C ATOM 446 CD LYS A 75 -28.413 0.753 5.030 1.00 28.09 C ATOM 447 CE LYS A 75 -29.310 1.933 4.990 1.00 32.11 C ATOM 448 NZ LYS A 75 -30.331 1.713 3.937 1.00 22.51 N ATOM 449 HZ1 LYS A 75 -29.859 1.594 3.018 1.00 0.00 H ATOM 450 HZ2 LYS A 75 -30.879 0.858 4.160 1.00 0.00 H ATOM 451 HZ3 LYS A 75 -30.968 2.534 3.897 1.00 0.00 H ATOM 452 H LYS A 75 -23.826 1.121 4.133 1.00 0.00 H ATOM 453 N GLU A 76 -24.786 -2.769 5.116 1.00 10.00 N ATOM 454 CA GLU A 76 -24.383 -4.090 4.718 1.00 9.95 C ATOM 455 C GLU A 76 -24.954 -4.423 3.343 1.00 7.96 C ATOM 456 O GLU A 76 -26.120 -4.099 3.076 1.00 10.71 O ATOM 457 CB GLU A 76 -24.988 -5.161 5.713 1.00 14.06 C ATOM 458 CG GLU A 76 -24.349 -5.156 6.990 1.00 19.73 C ATOM 459 CD GLU A 76 -25.107 -6.058 7.975 1.00 29.03 C ATOM 460 OE1 GLU A 76 -25.584 -7.171 7.592 1.00 33.98 O ATOM 461 OE2 GLU A 76 -25.253 -5.638 9.136 1.00 29.79 O ATOM 462 H GLU A 76 -25.260 -2.650 6.034 1.00 0.00 H ATOM 463 N ILE A 77 -24.176 -5.078 2.459 1.00 7.20 N ATOM 464 CA ILE A 77 -24.640 -5.450 1.125 1.00 8.17 C ATOM 465 C ILE A 77 -24.690 -6.986 1.047 1.00 8.49 C ATOM 466 O ILE A 77 -23.657 -7.651 0.979 1.00 8.80 O ATOM 467 CB ILE A 77 -23.745 -4.851 0.057 1.00 9.08 C ATOM 468 CG1 ILE A 77 -23.752 -3.274 0.176 1.00 12.03 C ATOM 469 CG2 ILE A 77 -24.167 -5.308 -1.354 1.00 14.66 C ATOM 470 CD1 ILE A 77 -22.821 -2.637 -0.758 1.00 15.50 C ATOM 471 H ILE A 77 -23.206 -5.329 2.738 1.00 0.00 H ATOM 472 N HIS A 78 -25.906 -7.500 1.003 1.00 9.91 N ATOM 473 CA HIS A 78 -26.139 -8.920 0.905 1.00 10.87 C ATOM 474 C HIS A 78 -26.261 -9.336 -0.524 1.00 11.45 C ATOM 475 O HIS A 78 -26.597 -8.588 -1.394 1.00 14.92 O ATOM 476 CB HIS A 78 -27.388 -9.290 1.679 1.00 13.04 C ATOM 477 CG HIS A 78 -27.237 -9.098 3.131 1.00 17.38 C ATOM 478 ND1 HIS A 78 -26.730 -10.059 3.979 1.00 18.42 N ATOM 479 CD2 HIS A 78 -27.464 -8.008 3.897 1.00 21.54 C ATOM 480 CE1 HIS A 78 -26.671 -9.577 5.207 1.00 19.93 C ATOM 481 NE2 HIS A 78 -27.156 -8.350 5.191 1.00 24.77 N ATOM 482 H HIS A 78 -26.724 -6.859 1.040 1.00 0.00 H ATOM 483 N GLY A 79 -26.035 -10.633 -0.783 1.00 12.12 N ATOM 484 CA GLY A 79 -26.317 -11.148 -2.082 1.00 13.04 C ATOM 485 C GLY A 79 -25.364 -10.810 -3.204 1.00 12.23 C ATOM 486 O GLY A 79 -25.686 -10.910 -4.372 1.00 16.70 O ATOM 487 H GLY A 79 -25.657 -11.257 -0.042 1.00 0.00 H ATOM 488 N GLN A 80 -24.190 -10.270 -2.827 1.00 11.41 N ATOM 489 CA GLN A 80 -23.208 -9.915 -3.759 1.00 12.64 C ATOM 490 C GLN A 80 -21.850 -10.396 -3.308 1.00 8.55 C ATOM 491 O GLN A 80 -21.508 -10.322 -2.141 1.00 9.61 O ATOM 492 CB GLN A 80 -23.138 -8.358 -3.769 1.00 18.06 C ATOM 493 CG GLN A 80 -22.109 -7.793 -4.647 1.00 25.95 C ATOM 494 CD GLN A 80 -22.323 -6.347 -4.732 1.00 30.09 C ATOM 495 OE1 GLN A 80 -23.410 -5.873 -5.191 1.00 28.95 O ATOM 496 NE2 GLN A 80 -21.320 -5.584 -4.190 1.00 30.32 N ATOM 497 HE22 GLN A 80 -20.456 -6.039 -3.833 1.00 0.00 H ATOM 498 HE21 GLN A 80 -21.424 -4.551 -4.136 1.00 0.00 H ATOM 499 H GLN A 80 -24.008 -10.112 -1.815 1.00 0.00 H ATOM 500 N TYR A 81 -21.071 -10.895 -4.270 1.00 9.02 N ATOM 501 CA TYR A 81 -19.762 -11.564 -3.981 1.00 9.52 C ATOM 502 C TYR A 81 -18.749 -11.105 -5.010 1.00 10.75 C ATOM 503 O TYR A 81 -18.751 -11.587 -6.141 1.00 14.92 O ATOM 504 CB TYR A 81 -19.909 -13.096 -3.912 1.00 9.33 C ATOM 505 CG TYR A 81 -20.982 -13.473 -2.951 1.00 9.94 C ATOM 506 CD1 TYR A 81 -20.764 -13.499 -1.587 1.00 9.07 C ATOM 507 CD2 TYR A 81 -22.302 -13.714 -3.389 1.00 10.50 C ATOM 508 CE1 TYR A 81 -21.770 -13.694 -0.651 1.00 10.51 C ATOM 509 CE2 TYR A 81 -23.307 -13.900 -2.474 1.00 11.17 C ATOM 510 CZ TYR A 81 -23.038 -13.889 -1.129 1.00 9.53 C ATOM 511 OH TYR A 81 -24.009 -14.030 -0.177 1.00 13.32 O ATOM 512 HH TYR A 81 -23.596 -13.993 0.722 1.00 0.00 H ATOM 513 H TYR A 81 -21.385 -10.816 -5.258 1.00 0.00 H ATOM 514 N SER A 82 -17.906 -10.140 -4.601 1.00 7.18 N ATOM 515 CA SER A 82 -16.945 -9.538 -5.557 1.00 8.15 C ATOM 516 C SER A 82 -15.586 -10.256 -5.602 1.00 9.35 C ATOM 517 O SER A 82 -14.748 -9.884 -6.406 1.00 11.66 O ATOM 518 CB SER A 82 -16.721 -8.081 -5.169 1.00 9.80 C ATOM 519 OG SER A 82 -17.899 -7.321 -5.184 1.00 13.05 O ATOM 520 HG SER A 82 -18.547 -7.707 -4.543 1.00 0.00 H ATOM 521 H SER A 82 -17.928 -9.816 -3.613 1.00 0.00 H ATOM 522 N TYR A 83 -15.410 -11.213 -4.738 1.00 7.62 N ATOM 523 CA TYR A 83 -14.141 -11.846 -4.535 1.00 7.87 C ATOM 524 C TYR A 83 -14.186 -13.359 -4.643 1.00 9.20 C ATOM 525 O TYR A 83 -15.224 -13.994 -4.474 1.00 9.87 O ATOM 526 CB TYR A 83 -13.612 -11.520 -3.147 1.00 8.10 C ATOM 527 CG TYR A 83 -13.414 -10.037 -2.970 1.00 8.21 C ATOM 528 CD1 TYR A 83 -12.440 -9.364 -3.666 1.00 9.31 C ATOM 529 CD2 TYR A 83 -14.246 -9.281 -2.202 1.00 8.40 C ATOM 530 CE1 TYR A 83 -12.298 -7.989 -3.558 1.00 10.49 C ATOM 531 CE2 TYR A 83 -14.126 -7.938 -2.039 1.00 9.27 C ATOM 532 CZ TYR A 83 -13.111 -7.258 -2.732 1.00 10.82 C ATOM 533 OH TYR A 83 -12.875 -5.945 -2.473 1.00 15.42 O ATOM 534 HH TYR A 83 -12.133 -5.625 -3.045 1.00 0.00 H ATOM 535 H TYR A 83 -16.223 -11.531 -4.172 1.00 0.00 H ATOM 536 N LYS A 84 -13.056 -13.922 -5.067 1.00 8.61 N ATOM 537 CA LYS A 84 -12.936 -15.348 -5.414 1.00 10.40 C ATOM 538 C LYS A 84 -12.288 -16.192 -4.340 1.00 10.07 C ATOM 539 O LYS A 84 -12.069 -17.409 -4.544 1.00 15.04 O ATOM 540 CB LYS A 84 -12.155 -15.504 -6.731 1.00 13.68 C ATOM 541 CG LYS A 84 -12.883 -14.853 -7.909 1.00 15.22 C ATOM 542 CD LYS A 84 -12.116 -14.959 -9.205 1.00 22.26 C ATOM 543 CE LYS A 84 -13.001 -14.499 -10.367 1.00 38.74 C ATOM 544 NZ LYS A 84 -12.371 -14.687 -11.706 1.00 53.00 N ATOM 545 HZ1 LYS A 84 -11.487 -14.141 -11.752 1.00 0.00 H ATOM 546 HZ2 LYS A 84 -12.164 -15.696 -11.852 1.00 0.00 H ATOM 547 HZ3 LYS A 84 -13.024 -14.355 -12.445 1.00 0.00 H ATOM 548 H LYS A 84 -12.212 -13.321 -5.158 1.00 0.00 H ATOM 549 N ASP A 85 -12.047 -15.605 -3.164 1.00 9.55 N ATOM 550 CA ASP A 85 -11.470 -16.373 -2.072 1.00 10.01 C ATOM 551 C ASP A 85 -12.284 -17.620 -1.764 1.00 10.43 C ATOM 552 O ASP A 85 -13.517 -17.581 -1.809 1.00 10.66 O ATOM 553 CB ASP A 85 -11.486 -15.585 -0.771 1.00 9.99 C ATOM 554 CG ASP A 85 -10.829 -14.208 -0.813 1.00 10.43 C ATOM 555 OD1 ASP A 85 -11.156 -13.406 -1.732 1.00 9.81 O ATOM 556 OD2 ASP A 85 -10.068 -13.859 0.137 1.00 12.21 O ATOM 557 H ASP A 85 -12.272 -14.599 -3.030 1.00 0.00 H ATOM 558 N LYS A 86 -11.598 -18.689 -1.379 1.00 12.91 N ATOM 559 CA LYS A 86 -12.276 -19.877 -0.881 1.00 12.36 C ATOM 560 C LYS A 86 -13.131 -19.446 0.296 1.00 10.03 C ATOM 561 O LYS A 86 -12.689 -18.673 1.172 1.00 11.12 O ATOM 562 CB LYS A 86 -11.278 -20.944 -0.477 1.00 19.59 C ATOM 563 CG LYS A 86 -11.946 -22.266 -0.368 1.00 29.29 C ATOM 564 CD LYS A 86 -11.080 -23.419 0.152 1.00 45.96 C ATOM 565 CE LYS A 86 -9.576 -23.169 0.217 1.00 43.32 C ATOM 566 NZ LYS A 86 -8.992 -22.656 -1.065 1.00 55.00 N ATOM 567 HZ1 LYS A 86 -9.158 -23.349 -1.822 1.00 0.00 H ATOM 568 HZ2 LYS A 86 -9.445 -21.754 -1.314 1.00 0.00 H ATOM 569 HZ3 LYS A 86 -7.969 -22.510 -0.945 1.00 0.00 H ATOM 570 H LYS A 86 -10.560 -18.678 -1.434 1.00 0.00 H ATOM 571 N ASN A 87 -14.337 -19.971 0.368 1.00 9.77 N ATOM 572 CA ASN A 87 -15.248 -19.754 1.477 1.00 9.11 C ATOM 573 C ASN A 87 -15.701 -18.294 1.611 1.00 8.92 C ATOM 574 O ASN A 87 -16.220 -17.870 2.659 1.00 10.83 O ATOM 575 CB ASN A 87 -14.682 -20.287 2.805 1.00 9.95 C ATOM 576 CG ASN A 87 -14.368 -21.737 2.729 1.00 11.08 C ATOM 577 OD1 ASN A 87 -15.169 -22.541 2.271 1.00 12.71 O ATOM 578 ND2 ASN A 87 -13.138 -22.082 3.147 1.00 11.19 N ATOM 579 HD22 ASN A 87 -12.496 -21.358 3.528 1.00 0.00 H ATOM 580 HD21 ASN A 87 -12.828 -23.073 3.089 1.00 0.00 H ATOM 581 H ASN A 87 -14.655 -20.576 -0.416 1.00 0.00 H ATOM 582 N TYR A 88 -15.653 -17.545 0.508 1.00 9.37 N ATOM 583 CA TYR A 88 -16.257 -16.211 0.439 1.00 8.69 C ATOM 584 C TYR A 88 -17.615 -16.354 -0.309 1.00 9.24 C ATOM 585 O TYR A 88 -17.679 -16.451 -1.513 1.00 10.71 O ATOM 586 CB TYR A 88 -15.333 -15.234 -0.247 1.00 9.36 C ATOM 587 CG TYR A 88 -15.863 -13.814 -0.166 1.00 7.51 C ATOM 588 CD1 TYR A 88 -15.668 -13.054 0.955 1.00 8.46 C ATOM 589 CD2 TYR A 88 -16.550 -13.254 -1.230 1.00 6.28 C ATOM 590 CE1 TYR A 88 -16.140 -11.763 1.049 1.00 9.04 C ATOM 591 CE2 TYR A 88 -17.027 -11.961 -1.155 1.00 7.04 C ATOM 592 CZ TYR A 88 -16.848 -11.198 -0.003 1.00 6.83 C ATOM 593 OH TYR A 88 -17.281 -9.925 0.142 1.00 8.24 O ATOM 594 HH TYR A 88 -16.857 -9.353 -0.546 1.00 0.00 H ATOM 595 H TYR A 88 -15.170 -17.921 -0.333 1.00 0.00 H ATOM 596 N ASP A 89 -18.677 -16.474 0.496 1.00 8.80 N ATOM 597 CA ASP A 89 -19.989 -16.881 0.040 1.00 8.94 C ATOM 598 C ASP A 89 -20.990 -16.476 1.091 1.00 8.76 C ATOM 599 O ASP A 89 -20.633 -15.837 2.101 1.00 8.91 O ATOM 600 CB ASP A 89 -20.035 -18.403 -0.275 1.00 9.61 C ATOM 601 CG ASP A 89 -19.566 -19.257 0.905 1.00 10.72 C ATOM 602 OD1 ASP A 89 -19.972 -18.966 2.026 1.00 12.05 O ATOM 603 OD2 ASP A 89 -18.763 -20.198 0.678 1.00 16.54 O ATOM 604 H ASP A 89 -18.553 -16.263 1.507 1.00 0.00 H ATOM 605 N ALA A 90 -22.278 -16.863 0.927 1.00 8.11 N ATOM 606 CA ALA A 90 -23.303 -16.451 1.844 1.00 9.39 C ATOM 607 C ALA A 90 -23.171 -17.025 3.222 1.00 10.15 C ATOM 608 O ALA A 90 -23.891 -16.543 4.120 1.00 15.90 O ATOM 609 CB ALA A 90 -24.658 -16.760 1.239 1.00 10.64 C ATOM 610 H ALA A 90 -22.529 -17.470 0.121 1.00 0.00 H ATOM 611 N LYS A 91 -22.317 -18.064 3.416 1.00 9.47 N ATOM 612 CA LYS A 91 -22.056 -18.637 4.748 1.00 12.05 C ATOM 613 C LYS A 91 -20.904 -17.942 5.452 1.00 12.83 C ATOM 614 O LYS A 91 -20.576 -18.304 6.573 1.00 17.84 O ATOM 615 CB LYS A 91 -21.862 -20.136 4.677 1.00 14.14 C ATOM 616 CG LYS A 91 -23.165 -20.856 4.428 1.00 22.39 C ATOM 617 CD LYS A 91 -24.208 -20.558 5.449 1.00 31.29 C ATOM 618 CE LYS A 91 -23.769 -21.033 6.807 1.00 40.27 C ATOM 619 NZ LYS A 91 -24.671 -20.349 7.758 1.00 49.12 N ATOM 620 HZ1 LYS A 91 -24.564 -19.320 7.656 1.00 0.00 H ATOM 621 HZ2 LYS A 91 -25.655 -20.618 7.555 1.00 0.00 H ATOM 622 HZ3 LYS A 91 -24.427 -20.630 8.729 1.00 0.00 H ATOM 623 H LYS A 91 -21.829 -18.470 2.593 1.00 0.00 H ATOM 624 N ASN A 92 -20.337 -16.908 4.814 1.00 8.84 N ATOM 625 CA ASN A 92 -19.276 -16.111 5.408 1.00 8.08 C ATOM 626 C ASN A 92 -19.847 -14.840 6.032 1.00 7.79 C ATOM 627 O ASN A 92 -20.358 -13.965 5.334 1.00 8.65 O ATOM 628 CB ASN A 92 -18.220 -15.802 4.341 1.00 9.28 C ATOM 629 CG ASN A 92 -16.982 -15.115 4.899 1.00 9.15 C ATOM 630 OD1 ASN A 92 -17.076 -14.256 5.778 1.00 10.31 O ATOM 631 ND2 ASN A 92 -15.795 -15.469 4.326 1.00 9.56 N ATOM 632 HD22 ASN A 92 -15.772 -16.201 3.588 1.00 0.00 H ATOM 633 HD21 ASN A 92 -14.914 -15.007 4.628 1.00 0.00 H ATOM 634 H ASN A 92 -20.669 -16.667 3.858 1.00 0.00 H ATOM 635 N TRP A 93 -19.820 -14.794 7.394 1.00 8.43 N ATOM 636 CA TRP A 93 -20.463 -13.722 8.104 1.00 8.28 C ATOM 637 C TRP A 93 -19.991 -12.360 7.655 1.00 6.65 C ATOM 638 O TRP A 93 -20.675 -11.387 7.801 1.00 8.61 O ATOM 639 CB TRP A 93 -20.232 -13.850 9.665 1.00 9.15 C ATOM 640 CG TRP A 93 -18.844 -13.677 10.087 1.00 8.74 C ATOM 641 CD1 TRP A 93 -17.900 -14.661 10.250 1.00 10.23 C ATOM 642 CD2 TRP A 93 -18.181 -12.441 10.333 1.00 8.89 C ATOM 643 NE1 TRP A 93 -16.703 -14.111 10.605 1.00 11.72 N ATOM 644 CE2 TRP A 93 -16.826 -12.750 10.620 1.00 10.47 C ATOM 645 CE3 TRP A 93 -18.579 -11.098 10.294 1.00 8.82 C ATOM 646 CZ2 TRP A 93 -15.888 -11.757 10.895 1.00 11.62 C ATOM 647 CZ3 TRP A 93 -17.616 -10.147 10.592 1.00 10.43 C ATOM 648 CH2 TRP A 93 -16.301 -10.482 10.819 1.00 11.68 C ATOM 649 HE1 TRP A 93 -15.837 -14.642 10.828 1.00 0.00 H ATOM 650 H TRP A 93 -19.329 -15.542 7.925 1.00 0.00 H ATOM 651 N ALA A 94 -18.751 -12.289 7.175 1.00 6.40 N ATOM 652 CA ALA A 94 -18.157 -11.004 6.894 1.00 6.79 C ATOM 653 C ALA A 94 -18.449 -10.469 5.475 1.00 5.92 C ATOM 654 O ALA A 94 -18.227 -9.269 5.235 1.00 6.14 O ATOM 655 CB ALA A 94 -16.654 -11.090 7.045 1.00 7.00 C ATOM 656 H ALA A 94 -18.210 -13.160 7.002 1.00 0.00 H ATOM 657 N ALA A 95 -19.002 -11.301 4.581 1.00 6.13 N ATOM 658 CA ALA A 95 -19.180 -10.854 3.170 1.00 6.87 C ATOM 659 C ALA A 95 -20.050 -9.557 3.118 1.00 5.72 C ATOM 660 O ALA A 95 -19.672 -8.685 2.388 1.00 6.84 O ATOM 661 CB ALA A 95 -19.741 -11.955 2.317 1.00 7.44 C ATOM 662 H ALA A 95 -19.305 -12.253 4.870 1.00 0.00 H ATOM 663 N PRO A 96 -21.165 -9.416 3.853 1.00 6.71 N ATOM 664 CA PRO A 96 -21.926 -8.184 3.654 1.00 6.61 C ATOM 665 C PRO A 96 -21.179 -6.904 4.083 1.00 6.18 C ATOM 666 O PRO A 96 -21.427 -5.842 3.530 1.00 7.19 O ATOM 667 CB PRO A 96 -23.177 -8.385 4.476 1.00 8.52 C ATOM 668 CG PRO A 96 -23.277 -9.882 4.669 1.00 10.88 C ATOM 669 CD PRO A 96 -21.884 -10.389 4.707 1.00 7.84 C ATOM 670 N PHE A 97 -20.265 -7.069 5.048 1.00 4.93 N ATOM 671 CA PHE A 97 -19.427 -5.973 5.506 1.00 4.91 C ATOM 672 C PHE A 97 -18.285 -5.651 4.530 1.00 4.97 C ATOM 673 O PHE A 97 -18.036 -4.493 4.251 1.00 5.56 O ATOM 674 CB PHE A 97 -18.886 -6.241 6.909 1.00 6.20 C ATOM 675 CG PHE A 97 -19.999 -6.544 7.931 1.00 7.01 C ATOM 676 CD1 PHE A 97 -20.768 -5.515 8.452 1.00 8.01 C ATOM 677 CD2 PHE A 97 -20.305 -7.817 8.285 1.00 9.12 C ATOM 678 CE1 PHE A 97 -21.764 -5.741 9.349 1.00 9.60 C ATOM 679 CE2 PHE A 97 -21.338 -8.056 9.188 1.00 10.68 C ATOM 680 CZ PHE A 97 -22.058 -7.016 9.707 1.00 11.65 C ATOM 681 H PHE A 97 -20.152 -8.007 5.482 1.00 0.00 H ATOM 682 N ILE A 98 -17.649 -6.688 4.065 1.00 5.50 N ATOM 683 CA ILE A 98 -16.598 -6.577 3.074 1.00 5.09 C ATOM 684 C ILE A 98 -17.120 -5.944 1.804 1.00 5.96 C ATOM 685 O ILE A 98 -16.490 -5.049 1.205 1.00 5.96 O ATOM 686 CB ILE A 98 -15.920 -7.933 2.820 1.00 5.44 C ATOM 687 CG1 ILE A 98 -15.143 -8.341 4.065 1.00 6.13 C ATOM 688 CG2 ILE A 98 -15.018 -7.906 1.572 1.00 6.11 C ATOM 689 CD1 ILE A 98 -14.683 -9.772 4.098 1.00 6.80 C ATOM 690 H ILE A 98 -17.905 -7.632 4.419 1.00 0.00 H ATOM 691 N GLU A 99 -18.292 -6.358 1.360 1.00 5.96 N ATOM 692 CA GLU A 99 -18.882 -5.735 0.156 1.00 6.37 C ATOM 693 C GLU A 99 -19.168 -4.266 0.403 1.00 6.14 C ATOM 694 O GLU A 99 -18.944 -3.458 -0.479 1.00 7.56 O ATOM 695 CB GLU A 99 -20.132 -6.496 -0.282 1.00 7.29 C ATOM 696 CG GLU A 99 -19.929 -7.875 -0.761 1.00 7.81 C ATOM 697 CD GLU A 99 -19.020 -7.967 -2.022 1.00 7.53 C ATOM 698 OE1 GLU A 99 -19.205 -7.133 -2.947 1.00 11.33 O ATOM 699 OE2 GLU A 99 -18.229 -8.941 -2.064 1.00 7.52 O ATOM 700 H GLU A 99 -18.798 -7.119 1.855 1.00 0.00 H ATOM 701 N ALA A 100 -19.679 -3.920 1.580 1.00 5.80 N ATOM 702 CA ALA A 100 -19.974 -2.487 1.862 1.00 5.81 C ATOM 703 C ALA A 100 -18.698 -1.632 1.832 1.00 5.94 C ATOM 704 O ALA A 100 -18.704 -0.555 1.224 1.00 7.88 O ATOM 705 CB ALA A 100 -20.649 -2.394 3.215 1.00 6.28 C ATOM 706 H ALA A 100 -19.872 -4.645 2.300 1.00 0.00 H ATOM 707 N VAL A 101 -17.607 -2.100 2.475 1.00 5.85 N ATOM 708 CA VAL A 101 -16.400 -1.241 2.521 1.00 6.78 C ATOM 709 C VAL A 101 -15.731 -1.250 1.145 1.00 7.09 C ATOM 710 O VAL A 101 -15.067 -0.246 0.823 1.00 9.07 O ATOM 711 CB VAL A 101 -15.436 -1.659 3.637 1.00 7.54 C ATOM 712 CG1 VAL A 101 -16.110 -1.489 4.987 1.00 9.04 C ATOM 713 CG2 VAL A 101 -14.878 -3.047 3.463 1.00 8.12 C ATOM 714 H VAL A 101 -17.613 -3.037 2.926 1.00 0.00 H ATOM 715 N THR A 102 -15.792 -2.348 0.398 1.00 7.15 N ATOM 716 CA THR A 102 -15.230 -2.454 -0.956 1.00 8.74 C ATOM 717 C THR A 102 -15.942 -1.436 -1.865 1.00 8.99 C ATOM 718 O THR A 102 -15.294 -0.683 -2.636 1.00 10.59 O ATOM 719 CB THR A 102 -15.544 -3.929 -1.542 1.00 10.84 C ATOM 720 OG1 THR A 102 -14.668 -4.751 -0.845 1.00 17.45 O ATOM 721 CG2 THR A 102 -15.148 -3.977 -3.057 1.00 13.31 C ATOM 722 HG1 THR A 102 -14.855 -4.684 0.125 1.00 0.00 H ATOM 723 H THR A 102 -16.267 -3.183 0.796 1.00 0.00 H ATOM 724 N ALA A 103 -17.254 -1.343 -1.773 1.00 8.98 N ATOM 725 CA ALA A 103 -18.027 -0.458 -2.682 1.00 9.83 C ATOM 726 C ALA A 103 -17.699 1.006 -2.355 1.00 11.31 C ATOM 727 O ALA A 103 -17.852 1.855 -3.223 1.00 16.13 O ATOM 728 CB ALA A 103 -19.482 -0.724 -2.493 1.00 10.14 C ATOM 729 H ALA A 103 -17.756 -1.899 -1.052 1.00 0.00 H ATOM 730 N GLU A 104 -17.290 1.276 -1.135 1.00 11.57 N ATOM 731 CA GLU A 104 -16.849 2.651 -0.763 1.00 12.58 C ATOM 732 C GLU A 104 -15.426 3.026 -1.099 1.00 14.19 C ATOM 733 O GLU A 104 -15.009 4.158 -0.998 1.00 19.94 O ATOM 734 CB GLU A 104 -16.969 2.863 0.719 1.00 15.07 C ATOM 735 CG GLU A 104 -18.251 2.852 1.230 1.00 17.93 C ATOM 736 CD GLU A 104 -19.266 3.895 0.756 1.00 14.72 C ATOM 737 OE1 GLU A 104 -20.400 3.604 1.194 1.00 12.84 O ATOM 738 OE2 GLU A 104 -19.067 4.852 -0.030 1.00 16.37 O ATOM 739 H GLU A 104 -17.274 0.521 -0.420 1.00 0.00 H ATOM 740 N GLY A 105 -14.631 2.030 -1.450 1.00 12.78 N ATOM 741 CA GLY A 105 -13.229 2.238 -1.701 1.00 15.37 C ATOM 742 C GLY A 105 -12.368 2.286 -0.456 1.00 14.01 C ATOM 743 O GLY A 105 -11.166 2.649 -0.530 1.00 18.66 O ATOM 744 H GLY A 105 -15.028 1.074 -1.547 1.00 0.00 H ATOM 745 N LEU A 106 -12.961 1.906 0.682 1.00 11.38 N ATOM 746 CA LEU A 106 -12.212 1.931 1.970 1.00 11.01 C ATOM 747 C LEU A 106 -11.265 0.762 2.157 1.00 12.32 C ATOM 748 O LEU A 106 -10.221 0.911 2.779 1.00 12.87 O ATOM 749 CB LEU A 106 -13.129 2.026 3.171 1.00 10.42 C ATOM 750 CG LEU A 106 -13.836 3.349 3.356 1.00 13.23 C ATOM 751 CD1 LEU A 106 -14.925 3.173 4.374 1.00 16.36 C ATOM 752 CD2 LEU A 106 -12.865 4.458 3.776 1.00 14.44 C ATOM 753 H LEU A 106 -13.952 1.591 0.667 1.00 0.00 H ATOM 754 N MET A 107 -11.635 -0.377 1.573 1.00 9.29 N ATOM 755 CA MET A 107 -10.738 -1.530 1.495 1.00 9.99 C ATOM 756 C MET A 107 -10.853 -2.035 0.046 1.00 11.37 C ATOM 757 O MET A 107 -11.813 -1.746 -0.669 1.00 11.59 O ATOM 758 CB MET A 107 -11.104 -2.589 2.500 1.00 10.10 C ATOM 759 CG MET A 107 -11.078 -2.145 3.918 1.00 10.47 C ATOM 760 SD MET A 107 -11.438 -3.459 5.143 1.00 10.11 S ATOM 761 CE MET A 107 -9.868 -4.306 5.150 1.00 8.88 C ATOM 762 H MET A 107 -12.587 -0.448 1.161 1.00 0.00 H ATOM 763 N GLN A 108 -9.945 -2.915 -0.318 1.00 11.50 N ATOM 764 CA GLN A 108 -9.949 -3.530 -1.658 1.00 11.60 C ATOM 765 C GLN A 108 -9.216 -4.860 -1.615 1.00 10.55 C ATOM 766 O GLN A 108 -8.578 -5.188 -0.584 1.00 12.04 O ATOM 767 CB GLN A 108 -9.376 -2.631 -2.756 1.00 13.46 C ATOM 768 CG GLN A 108 -7.949 -2.317 -2.597 1.00 15.01 C ATOM 769 CD GLN A 108 -7.551 -1.192 -3.560 1.00 19.99 C ATOM 770 OE1 GLN A 108 -8.323 -0.309 -3.963 1.00 29.99 O ATOM 771 NE2 GLN A 108 -6.400 -1.224 -3.877 1.00 22.20 N ATOM 772 HE22 GLN A 108 -5.783 -1.980 -3.519 1.00 0.00 H ATOM 773 HE21 GLN A 108 -6.015 -0.495 -4.511 1.00 0.00 H ATOM 774 H GLN A 108 -9.203 -3.185 0.359 1.00 0.00 H ATOM 775 N ALA A 109 -9.240 -5.575 -2.720 1.00 10.37 N ATOM 776 CA ALA A 109 -8.521 -6.847 -2.788 1.00 10.66 C ATOM 777 C ALA A 109 -7.050 -6.675 -2.440 1.00 10.45 C ATOM 778 O ALA A 109 -6.447 -5.645 -2.768 1.00 12.66 O ATOM 779 CB ALA A 109 -8.617 -7.456 -4.188 1.00 12.68 C ATOM 780 H ALA A 109 -9.771 -5.235 -3.547 1.00 0.00 H ATOM 781 N LYS A 110 -6.490 -7.727 -1.812 1.00 10.69 N ATOM 782 CA LYS A 110 -5.037 -7.855 -1.762 1.00 12.04 C ATOM 783 C LYS A 110 -4.428 -8.216 -3.128 1.00 12.63 C ATOM 784 O LYS A 110 -3.314 -7.774 -3.441 1.00 17.49 O ATOM 785 CB LYS A 110 -4.695 -8.906 -0.726 1.00 16.71 C ATOM 786 CG LYS A 110 -4.704 -8.343 0.676 1.00 24.63 C ATOM 787 CD LYS A 110 -3.432 -7.556 1.008 1.00 28.47 C ATOM 788 CE LYS A 110 -3.686 -6.688 2.234 1.00 34.15 C ATOM 789 NZ LYS A 110 -2.599 -5.743 2.603 1.00 33.83 N ATOM 790 HZ1 LYS A 110 -1.730 -6.278 2.803 1.00 0.00 H ATOM 791 HZ2 LYS A 110 -2.430 -5.086 1.815 1.00 0.00 H ATOM 792 HZ3 LYS A 110 -2.880 -5.207 3.449 1.00 0.00 H ATOM 793 H LYS A 110 -7.092 -8.447 -1.364 1.00 0.00 H ATOM 794 N ASP A 111 -5.135 -8.948 -3.948 1.00 12.72 N ATOM 795 CA ASP A 111 -4.734 -9.228 -5.318 1.00 13.05 C ATOM 796 C ASP A 111 -5.874 -8.758 -6.197 1.00 11.19 C ATOM 797 O ASP A 111 -6.961 -9.441 -6.244 1.00 12.49 O ATOM 798 CB ASP A 111 -4.431 -10.668 -5.553 1.00 13.90 C ATOM 799 CG ASP A 111 -3.842 -10.931 -6.952 1.00 16.71 C ATOM 800 OD1 ASP A 111 -4.297 -10.286 -7.909 1.00 15.09 O ATOM 801 OD2 ASP A 111 -2.861 -11.738 -7.072 1.00 22.97 O ATOM 802 H ASP A 111 -6.030 -9.351 -3.604 1.00 0.00 H ATOM 803 N LEU A 112 -5.690 -7.608 -6.862 1.00 11.56 N ATOM 804 CA LEU A 112 -6.715 -6.942 -7.644 1.00 11.46 C ATOM 805 C LEU A 112 -7.008 -7.658 -8.970 1.00 15.62 C ATOM 806 O LEU A 112 -8.052 -7.394 -9.602 1.00 18.68 O ATOM 807 CB LEU A 112 -6.358 -5.482 -7.926 1.00 13.98 C ATOM 808 CG LEU A 112 -6.257 -4.647 -6.660 1.00 12.65 C ATOM 809 CD1 LEU A 112 -5.434 -3.374 -6.842 1.00 16.18 C ATOM 810 CD2 LEU A 112 -7.634 -4.240 -6.289 1.00 16.13 C ATOM 811 H LEU A 112 -4.751 -7.164 -6.814 1.00 0.00 H ATOM 812 N THR A 113 -6.078 -8.499 -9.436 1.00 12.39 N ATOM 813 CA THR A 113 -6.296 -9.211 -10.688 1.00 12.57 C ATOM 814 C THR A 113 -6.989 -10.548 -10.447 1.00 14.70 C ATOM 815 O THR A 113 -7.899 -10.900 -11.184 1.00 17.70 O ATOM 816 CB THR A 113 -4.950 -9.350 -11.413 1.00 13.12 C ATOM 817 OG1 THR A 113 -4.511 -8.053 -11.753 1.00 15.08 O ATOM 818 CG2 THR A 113 -5.091 -10.196 -12.664 1.00 17.33 C ATOM 819 HG1 THR A 113 -3.642 -8.113 -12.223 1.00 0.00 H ATOM 820 H THR A 113 -5.197 -8.645 -8.903 1.00 0.00 H ATOM 821 N LYS A 114 -6.551 -11.281 -9.410 1.00 12.91 N ATOM 822 CA LYS A 114 -7.132 -12.555 -9.064 1.00 13.81 C ATOM 823 C LYS A 114 -8.438 -12.354 -8.214 1.00 12.40 C ATOM 824 O LYS A 114 -9.167 -13.306 -7.961 1.00 13.13 O ATOM 825 CB LYS A 114 -6.127 -13.418 -8.300 1.00 15.94 C ATOM 826 CG LYS A 114 -4.931 -13.861 -9.190 1.00 20.60 C ATOM 827 CD LYS A 114 -4.145 -14.837 -8.280 1.00 26.24 C ATOM 828 CE LYS A 114 -2.759 -15.261 -8.784 1.00 42.84 C ATOM 829 NZ LYS A 114 -2.745 -16.551 -9.526 1.00 46.82 N ATOM 830 HZ1 LYS A 114 -3.089 -17.311 -8.905 1.00 0.00 H ATOM 831 HZ2 LYS A 114 -3.363 -16.477 -10.359 1.00 0.00 H ATOM 832 HZ3 LYS A 114 -1.774 -16.764 -9.831 1.00 0.00 H ATOM 833 H LYS A 114 -5.764 -10.917 -8.836 1.00 0.00 H ATOM 834 N LYS A 115 -8.677 -11.145 -7.755 1.00 10.61 N ATOM 835 CA LYS A 115 -9.864 -10.814 -6.984 1.00 10.67 C ATOM 836 C LYS A 115 -9.878 -11.550 -5.668 1.00 10.95 C ATOM 837 O LYS A 115 -10.890 -12.103 -5.251 1.00 9.87 O ATOM 838 CB LYS A 115 -11.148 -10.977 -7.780 1.00 11.40 C ATOM 839 CG LYS A 115 -11.249 -10.254 -9.121 1.00 17.30 C ATOM 840 CD LYS A 115 -12.625 -10.431 -9.736 1.00 25.82 C ATOM 841 CE LYS A 115 -12.702 -9.911 -11.180 1.00 45.65 C ATOM 842 NZ LYS A 115 -12.476 -8.445 -11.176 1.00 60.71 N ATOM 843 HZ1 LYS A 115 -13.207 -7.984 -10.597 1.00 0.00 H ATOM 844 HZ2 LYS A 115 -11.537 -8.241 -10.778 1.00 0.00 H ATOM 845 HZ3 LYS A 115 -12.527 -8.085 -12.150 1.00 0.00 H ATOM 846 H LYS A 115 -7.986 -10.393 -7.952 1.00 0.00 H ATOM 847 N ILE A 116 -8.773 -11.468 -4.951 1.00 9.76 N ATOM 848 CA ILE A 116 -8.625 -12.149 -3.658 1.00 10.00 C ATOM 849 C ILE A 116 -8.582 -11.075 -2.585 1.00 8.73 C ATOM 850 O ILE A 116 -7.684 -10.215 -2.549 1.00 11.39 O ATOM 851 CB ILE A 116 -7.359 -13.014 -3.583 1.00 12.82 C ATOM 852 CG1 ILE A 116 -7.449 -14.111 -4.678 1.00 14.47 C ATOM 853 CG2 ILE A 116 -7.233 -13.611 -2.191 1.00 14.64 C ATOM 854 CD1 ILE A 116 -8.563 -15.134 -4.541 1.00 17.05 C ATOM 855 H ILE A 116 -7.980 -10.902 -5.314 1.00 0.00 H ATOM 856 N PHE A 117 -9.588 -11.097 -1.659 1.00 9.00 N ATOM 857 CA PHE A 117 -9.636 -10.116 -0.589 1.00 8.57 C ATOM 858 C PHE A 117 -8.695 -10.424 0.593 1.00 8.76 C ATOM 859 O PHE A 117 -8.205 -9.501 1.264 1.00 10.52 O ATOM 860 CB PHE A 117 -11.071 -9.994 -0.071 1.00 8.18 C ATOM 861 CG PHE A 117 -11.249 -8.851 0.903 1.00 8.03 C ATOM 862 CD1 PHE A 117 -11.323 -7.527 0.463 1.00 8.00 C ATOM 863 CD2 PHE A 117 -11.362 -9.074 2.268 1.00 8.55 C ATOM 864 CE1 PHE A 117 -11.452 -6.499 1.391 1.00 8.68 C ATOM 865 CE2 PHE A 117 -11.504 -8.027 3.167 1.00 8.95 C ATOM 866 CZ PHE A 117 -11.567 -6.760 2.735 1.00 8.67 C ATOM 867 H PHE A 117 -10.328 -11.825 -1.722 1.00 0.00 H ATOM 868 N ASP A 118 -8.493 -11.701 0.854 1.00 8.90 N ATOM 869 CA ASP A 118 -7.729 -12.164 2.034 1.00 9.31 C ATOM 870 C ASP A 118 -8.415 -11.748 3.338 1.00 9.79 C ATOM 871 O ASP A 118 -7.937 -10.963 4.134 1.00 10.27 O ATOM 872 CB ASP A 118 -6.258 -11.723 1.990 1.00 11.69 C ATOM 873 CG ASP A 118 -5.382 -12.438 3.016 1.00 18.28 C ATOM 874 OD1 ASP A 118 -5.843 -13.453 3.627 1.00 16.75 O ATOM 875 OD2 ASP A 118 -4.247 -11.975 3.131 1.00 25.89 O ATOM 876 H ASP A 118 -8.887 -12.411 0.204 1.00 0.00 H ATOM 877 N PHE A 119 -9.606 -12.329 3.527 1.00 8.19 N ATOM 878 CA PHE A 119 -10.435 -11.911 4.630 1.00 7.86 C ATOM 879 C PHE A 119 -9.876 -12.221 6.015 1.00 8.87 C ATOM 880 O PHE A 119 -10.233 -11.569 6.985 1.00 9.05 O ATOM 881 CB PHE A 119 -11.899 -12.364 4.472 1.00 7.69 C ATOM 882 CG PHE A 119 -12.112 -13.843 4.273 1.00 7.95 C ATOM 883 CD1 PHE A 119 -12.056 -14.701 5.359 1.00 12.21 C ATOM 884 CD2 PHE A 119 -12.429 -14.369 3.024 1.00 8.14 C ATOM 885 CE1 PHE A 119 -12.236 -16.071 5.168 1.00 14.22 C ATOM 886 CE2 PHE A 119 -12.610 -15.731 2.838 1.00 10.06 C ATOM 887 CZ PHE A 119 -12.514 -16.585 3.905 1.00 11.28 C ATOM 888 H PHE A 119 -9.931 -13.077 2.882 1.00 0.00 H ATOM 889 N ASN A 120 -9.053 -13.278 6.129 1.00 9.36 N ATOM 890 CA ASN A 120 -8.475 -13.625 7.427 1.00 10.32 C ATOM 891 C ASN A 120 -7.090 -12.989 7.579 1.00 10.80 C ATOM 892 O ASN A 120 -6.436 -13.203 8.593 1.00 14.33 O ATOM 893 CB ASN A 120 -8.301 -15.103 7.515 1.00 13.89 C ATOM 894 CG ASN A 120 -9.582 -15.817 7.768 1.00 19.36 C ATOM 895 OD1 ASN A 120 -10.479 -15.318 8.447 1.00 21.36 O ATOM 896 ND2 ASN A 120 -9.675 -17.000 7.201 1.00 25.47 N ATOM 897 HD22 ASN A 120 -8.883 -17.370 6.638 1.00 0.00 H ATOM 898 HD21 ASN A 120 -10.540 -17.565 7.316 1.00 0.00 H ATOM 899 H ASN A 120 -8.827 -13.851 5.291 1.00 0.00 H ATOM 900 N GLY A 121 -6.645 -12.221 6.581 1.00 10.40 N ATOM 901 CA GLY A 121 -5.363 -11.555 6.676 1.00 10.65 C ATOM 902 C GLY A 121 -5.354 -10.469 7.687 1.00 9.94 C ATOM 903 O GLY A 121 -6.389 -9.976 8.175 1.00 10.56 O ATOM 904 H GLY A 121 -7.226 -12.100 5.727 1.00 0.00 H ATOM 905 N LYS A 122 -4.147 -10.078 8.081 1.00 10.50 N ATOM 906 CA LYS A 122 -3.925 -9.059 9.063 1.00 11.41 C ATOM 907 C LYS A 122 -3.897 -7.683 8.455 1.00 10.53 C ATOM 908 O LYS A 122 -3.997 -7.521 7.209 1.00 11.30 O ATOM 909 CB LYS A 122 -2.696 -9.404 9.872 1.00 15.49 C ATOM 910 CG LYS A 122 -2.844 -10.802 10.563 1.00 20.14 C ATOM 911 CD LYS A 122 -1.686 -11.208 11.434 1.00 25.11 C ATOM 912 CE LYS A 122 -1.873 -12.612 12.005 1.00 29.07 C ATOM 913 NZ LYS A 122 -1.255 -12.681 13.317 1.00 23.54 N ATOM 914 HZ1 LYS A 122 -0.240 -12.471 13.232 1.00 0.00 H ATOM 915 HZ2 LYS A 122 -1.703 -11.985 13.947 1.00 0.00 H ATOM 916 HZ3 LYS A 122 -1.381 -13.636 13.708 1.00 0.00 H ATOM 917 H LYS A 122 -3.318 -10.537 7.653 1.00 0.00 H ATOM 918 N ILE A 123 -3.835 -6.674 9.316 1.00 9.59 N ATOM 919 CA ILE A 123 -3.838 -5.293 8.895 1.00 10.10 C ATOM 920 C ILE A 123 -2.802 -4.539 9.726 1.00 8.90 C ATOM 921 O ILE A 123 -2.805 -4.661 10.968 1.00 11.07 O ATOM 922 CB ILE A 123 -5.248 -4.636 8.984 1.00 15.34 C ATOM 923 CG1 ILE A 123 -5.177 -3.218 8.387 1.00 18.61 C ATOM 924 CG2 ILE A 123 -5.806 -4.698 10.331 1.00 17.34 C ATOM 925 CD1 ILE A 123 -6.468 -2.665 7.837 1.00 23.15 C ATOM 926 H ILE A 123 -3.782 -6.887 10.333 1.00 0.00 H ATOM 927 N THR A 124 -1.909 -3.752 9.118 1.00 8.60 N ATOM 928 CA THR A 124 -0.944 -3.038 9.897 1.00 8.98 C ATOM 929 C THR A 124 -1.556 -1.759 10.494 1.00 8.26 C ATOM 930 O THR A 124 -2.599 -1.232 10.051 1.00 8.51 O ATOM 931 CB THR A 124 0.272 -2.645 9.064 1.00 10.12 C ATOM 932 OG1 THR A 124 -0.086 -1.784 8.008 1.00 10.14 O ATOM 933 CG2 THR A 124 0.963 -3.880 8.543 1.00 13.22 C ATOM 934 HG1 THR A 124 0.722 -1.548 7.488 1.00 0.00 H ATOM 935 H THR A 124 -1.915 -3.659 8.082 1.00 0.00 H ATOM 936 N VAL A 125 -0.914 -1.269 11.531 1.00 7.43 N ATOM 937 CA VAL A 125 -1.267 0.021 12.119 1.00 7.98 C ATOM 938 C VAL A 125 -1.364 1.117 11.103 1.00 7.74 C ATOM 939 O VAL A 125 -2.328 1.892 11.077 1.00 8.43 O ATOM 940 CB VAL A 125 -0.383 0.337 13.274 1.00 9.34 C ATOM 941 CG1 VAL A 125 -0.570 1.759 13.774 1.00 10.19 C ATOM 942 CG2 VAL A 125 -0.581 -0.692 14.410 1.00 10.52 C ATOM 943 H VAL A 125 -0.132 -1.815 11.945 1.00 0.00 H ATOM 944 N GLU A 126 -0.375 1.215 10.206 1.00 7.79 N ATOM 945 CA GLU A 126 -0.378 2.268 9.190 1.00 9.42 C ATOM 946 C GLU A 126 -1.490 2.085 8.132 1.00 8.23 C ATOM 947 O GLU A 126 -2.123 3.100 7.729 1.00 9.14 O ATOM 948 CB GLU A 126 1.028 2.452 8.561 1.00 12.25 C ATOM 949 CG GLU A 126 1.486 1.322 7.704 1.00 10.34 C ATOM 950 CD GLU A 126 2.949 1.438 7.333 1.00 14.52 C ATOM 951 OE1 GLU A 126 3.579 2.406 7.824 1.00 14.90 O ATOM 952 OE2 GLU A 126 3.347 0.559 6.546 1.00 15.40 O ATOM 953 H GLU A 126 0.408 0.531 10.232 1.00 0.00 H ATOM 954 N GLU A 127 -1.819 0.817 7.814 1.00 8.11 N ATOM 955 CA GLU A 127 -2.957 0.585 6.922 1.00 8.78 C ATOM 956 C GLU A 127 -4.264 0.996 7.559 1.00 8.17 C ATOM 957 O GLU A 127 -5.098 1.659 6.937 1.00 8.62 O ATOM 958 CB GLU A 127 -3.031 -0.871 6.453 1.00 9.65 C ATOM 959 CG GLU A 127 -1.997 -1.308 5.500 1.00 12.98 C ATOM 960 CD GLU A 127 -1.982 -2.838 5.244 1.00 20.39 C ATOM 961 OE1 GLU A 127 -2.242 -3.665 6.154 1.00 15.84 O ATOM 962 OE2 GLU A 127 -1.478 -3.166 4.150 1.00 25.73 O ATOM 963 H GLU A 127 -1.274 0.017 8.195 1.00 0.00 H ATOM 964 N ALA A 128 -4.428 0.591 8.792 1.00 7.92 N ATOM 965 CA ALA A 128 -5.638 0.994 9.546 1.00 7.71 C ATOM 966 C ALA A 128 -5.738 2.490 9.712 1.00 7.15 C ATOM 967 O ALA A 128 -6.826 3.090 9.599 1.00 7.94 O ATOM 968 CB ALA A 128 -5.642 0.308 10.903 1.00 8.53 C ATOM 969 H ALA A 128 -3.711 -0.013 9.242 1.00 0.00 H ATOM 970 N SER A 129 -4.608 3.157 9.916 1.00 7.60 N ATOM 971 CA SER A 129 -4.537 4.602 9.988 1.00 7.89 C ATOM 972 C SER A 129 -5.056 5.260 8.710 1.00 7.78 C ATOM 973 O SER A 129 -5.872 6.200 8.761 1.00 9.25 O ATOM 974 CB SER A 129 -3.120 5.107 10.314 1.00 9.54 C ATOM 975 OG SER A 129 -2.642 4.704 11.569 1.00 9.69 O ATOM 976 HG SER A 129 -2.615 3.715 11.609 1.00 0.00 H ATOM 977 H SER A 129 -3.728 2.614 10.030 1.00 0.00 H ATOM 978 N LYS A 130 -4.527 4.801 7.554 1.00 7.92 N ATOM 979 CA LYS A 130 -5.012 5.323 6.285 1.00 9.50 C ATOM 980 C LYS A 130 -6.555 5.236 6.186 1.00 7.65 C ATOM 981 O LYS A 130 -7.232 6.228 5.874 1.00 8.82 O ATOM 982 CB LYS A 130 -4.334 4.633 5.114 1.00 11.88 C ATOM 983 CG LYS A 130 -5.021 4.831 3.747 1.00 16.93 C ATOM 984 CD LYS A 130 -4.912 6.176 3.301 1.00 19.82 C ATOM 985 CE LYS A 130 -5.549 6.382 1.920 1.00 25.92 C ATOM 986 NZ LYS A 130 -7.032 6.186 2.058 1.00 30.71 N ATOM 987 HZ1 LYS A 130 -7.223 5.223 2.402 1.00 0.00 H ATOM 988 HZ2 LYS A 130 -7.410 6.879 2.735 1.00 0.00 H ATOM 989 HZ3 LYS A 130 -7.486 6.321 1.132 1.00 0.00 H ATOM 990 H LYS A 130 -3.778 4.079 7.571 1.00 0.00 H ATOM 991 N THR A 131 -7.073 4.078 6.488 1.00 6.87 N ATOM 992 CA THR A 131 -8.489 3.848 6.280 1.00 7.52 C ATOM 993 C THR A 131 -9.345 4.702 7.233 1.00 7.45 C ATOM 994 O THR A 131 -10.367 5.275 6.843 1.00 7.78 O ATOM 995 CB THR A 131 -8.809 2.369 6.388 1.00 8.24 C ATOM 996 OG1 THR A 131 -8.014 1.667 5.392 1.00 12.52 O ATOM 997 CG2 THR A 131 -10.265 2.110 6.140 1.00 9.56 C ATOM 998 HG1 THR A 131 -8.245 2.004 4.490 1.00 0.00 H ATOM 999 H THR A 131 -6.473 3.323 6.876 1.00 0.00 H ATOM 1000 N LEU A 132 -8.949 4.717 8.496 1.00 7.62 N ATOM 1001 CA LEU A 132 -9.703 5.486 9.515 1.00 7.51 C ATOM 1002 C LEU A 132 -9.612 6.966 9.275 1.00 7.77 C ATOM 1003 O LEU A 132 -10.604 7.698 9.402 1.00 8.33 O ATOM 1004 CB LEU A 132 -9.253 5.169 10.910 1.00 7.65 C ATOM 1005 CG LEU A 132 -9.655 3.734 11.392 1.00 8.26 C ATOM 1006 CD1 LEU A 132 -8.858 3.329 12.646 1.00 10.58 C ATOM 1007 CD2 LEU A 132 -11.137 3.691 11.638 1.00 11.10 C ATOM 1008 H LEU A 132 -8.101 4.184 8.776 1.00 0.00 H ATOM 1009 N VAL A 133 -8.450 7.473 8.915 1.00 8.23 N ATOM 1010 CA VAL A 133 -8.305 8.905 8.637 1.00 9.30 C ATOM 1011 C VAL A 133 -9.212 9.298 7.441 1.00 9.75 C ATOM 1012 O VAL A 133 -9.909 10.333 7.497 1.00 10.65 O ATOM 1013 CB VAL A 133 -6.805 9.218 8.314 1.00 11.13 C ATOM 1014 CG1 VAL A 133 -6.571 10.531 7.665 1.00 15.49 C ATOM 1015 CG2 VAL A 133 -6.028 9.211 9.629 1.00 12.38 C ATOM 1016 H VAL A 133 -7.624 6.848 8.827 1.00 0.00 H ATOM 1017 N THR A 134 -9.233 8.468 6.419 1.00 9.22 N ATOM 1018 CA THR A 134 -10.064 8.720 5.268 1.00 9.67 C ATOM 1019 C THR A 134 -11.548 8.733 5.702 1.00 9.54 C ATOM 1020 O THR A 134 -12.306 9.642 5.355 1.00 9.98 O ATOM 1021 CB THR A 134 -9.810 7.648 4.181 1.00 10.83 C ATOM 1022 OG1 THR A 134 -8.448 7.838 3.722 1.00 13.90 O ATOM 1023 CG2 THR A 134 -10.745 7.900 3.002 1.00 12.21 C ATOM 1024 HG1 THR A 134 -8.351 8.750 3.349 1.00 0.00 H ATOM 1025 H THR A 134 -8.639 7.615 6.442 1.00 0.00 H ATOM 1026 N ALA A 135 -11.959 7.683 6.422 1.00 8.05 N ATOM 1027 CA ALA A 135 -13.350 7.575 6.814 1.00 8.69 C ATOM 1028 C ALA A 135 -13.813 8.712 7.712 1.00 9.51 C ATOM 1029 O ALA A 135 -14.965 9.146 7.635 1.00 11.05 O ATOM 1030 CB ALA A 135 -13.609 6.226 7.473 1.00 9.47 C ATOM 1031 H ALA A 135 -11.281 6.945 6.700 1.00 0.00 H ATOM 1032 N LEU A 136 -12.936 9.182 8.569 1.00 9.01 N ATOM 1033 CA LEU A 136 -13.216 10.302 9.502 1.00 8.69 C ATOM 1034 C LEU A 136 -13.108 11.681 8.810 1.00 10.42 C ATOM 1035 O LEU A 136 -13.385 12.691 9.440 1.00 13.86 O ATOM 1036 CB LEU A 136 -12.288 10.213 10.688 1.00 10.32 C ATOM 1037 CG LEU A 136 -12.645 9.141 11.690 1.00 10.62 C ATOM 1038 CD1 LEU A 136 -11.474 8.839 12.577 1.00 12.03 C ATOM 1039 CD2 LEU A 136 -13.863 9.512 12.548 1.00 11.16 C ATOM 1040 H LEU A 136 -11.993 8.745 8.595 1.00 0.00 H ATOM 1041 N LYS A 137 -12.711 11.710 7.538 1.00 9.44 N ATOM 1042 CA LYS A 137 -12.552 12.972 6.826 1.00 11.08 C ATOM 1043 C LYS A 137 -11.426 13.824 7.441 1.00 11.54 C ATOM 1044 O LYS A 137 -11.498 15.089 7.376 1.00 14.47 O ATOM 1045 CB LYS A 137 -13.886 13.772 6.654 1.00 10.32 C ATOM 1046 CG LYS A 137 -14.958 12.900 6.036 1.00 13.00 C ATOM 1047 CD LYS A 137 -16.211 13.773 5.904 1.00 15.26 C ATOM 1048 CE LYS A 137 -17.413 13.009 5.528 1.00 21.19 C ATOM 1049 NZ LYS A 137 -18.603 13.923 5.251 1.00 22.80 N ATOM 1050 HZ1 LYS A 137 -18.821 14.475 6.105 1.00 0.00 H ATOM 1051 HZ2 LYS A 137 -18.368 14.568 4.470 1.00 0.00 H ATOM 1052 HZ3 LYS A 137 -19.428 13.346 4.990 1.00 0.00 H ATOM 1053 H LYS A 137 -12.511 10.816 7.045 1.00 0.00 H ATOM 1054 N LEU A 138 -10.450 13.139 8.066 1.00 13.06 N ATOM 1055 CA LEU A 138 -9.264 13.796 8.553 1.00 13.78 C ATOM 1056 C LEU A 138 -8.304 13.920 7.373 1.00 13.72 C ATOM 1057 O LEU A 138 -8.398 13.214 6.359 1.00 18.82 O ATOM 1058 CB LEU A 138 -8.665 13.002 9.719 1.00 14.62 C ATOM 1059 CG LEU A 138 -9.474 12.892 11.028 1.00 16.74 C ATOM 1060 CD1 LEU A 138 -8.896 11.772 11.911 1.00 18.02 C ATOM 1061 CD2 LEU A 138 -9.549 14.239 11.742 1.00 24.54 C ATOM 1062 H LEU A 138 -10.555 12.113 8.200 1.00 0.00 H ATOM 1063 N GLU A 139 -7.323 14.750 7.493 1.00 22.12 N ATOM 1064 CA GLU A 139 -6.433 14.969 6.422 1.00 27.00 C ATOM 1065 C GLU A 139 -5.016 14.480 6.784 1.00 21.94 C ATOM 1066 O GLU A 139 -4.534 14.682 7.914 1.00 22.94 O ATOM 1067 CB GLU A 139 -6.414 16.467 6.200 1.00 31.38 C ATOM 1068 CG GLU A 139 -5.818 16.846 4.901 1.00 35.85 C ATOM 1069 CD GLU A 139 -6.182 18.273 4.572 1.00 48.10 C ATOM 1070 OE1 GLU A 139 -5.308 18.966 4.006 1.00 65.11 O ATOM 1071 OE2 GLU A 139 -7.323 18.732 4.920 1.00 27.57 O ATOM 1072 H GLU A 139 -7.188 15.262 8.388 1.00 0.00 H ATOM 1073 N PRO A 140 -4.370 13.755 5.854 1.00 20.42 N ATOM 1074 CA PRO A 140 -3.044 13.356 6.187 1.00 21.16 C ATOM 1075 C PRO A 140 -2.166 14.605 6.331 1.00 21.49 C ATOM 1076 O PRO A 140 -2.377 15.611 5.659 1.00 23.22 O ATOM 1077 CB PRO A 140 -2.579 12.551 4.946 1.00 26.49 C ATOM 1078 CG PRO A 140 -3.438 13.073 3.839 1.00 32.33 C ATOM 1079 CD PRO A 140 -4.768 13.292 4.506 1.00 22.00 C ATOM 1080 N VAL A 141 -1.211 14.514 7.237 1.00 18.03 N ATOM 1081 CA VAL A 141 -0.300 15.604 7.526 1.00 18.08 C ATOM 1082 C VAL A 141 0.809 15.617 6.495 1.00 22.61 C ATOM 1083 O VAL A 141 1.566 14.655 6.372 1.00 21.42 O ATOM 1084 CB VAL A 141 0.290 15.467 8.925 1.00 18.17 C ATOM 1085 CG1 VAL A 141 1.255 16.614 9.227 1.00 22.49 C ATOM 1086 CG2 VAL A 141 -0.822 15.346 10.011 1.00 23.24 C ATOM 1087 H VAL A 141 -1.108 13.624 7.765 1.00 0.00 H ATOM 1088 N LYS A 142 0.953 16.753 5.811 1.00 21.03 N ATOM 1089 CA LYS A 142 1.968 16.955 4.790 1.00 24.11 C ATOM 1090 C LYS A 142 3.305 17.098 5.525 1.00 24.49 C ATOM 1091 O LYS A 142 3.419 17.728 6.555 1.00 31.47 O ATOM 1092 CB LYS A 142 1.610 18.228 3.957 1.00 32.51 C ATOM 1093 CG LYS A 142 2.023 18.199 2.506 1.00 52.04 C ATOM 1094 CD LYS A 142 1.861 19.567 1.834 1.00 62.55 C ATOM 1095 CE LYS A 142 2.465 19.590 0.425 1.00 81.24 C ATOM 1096 NZ LYS A 142 3.971 19.481 0.365 1.00 69.31 N ATOM 1097 HZ1 LYS A 142 4.396 20.277 0.882 1.00 0.00 H ATOM 1098 HZ2 LYS A 142 4.270 18.585 0.800 1.00 0.00 H ATOM 1099 HZ3 LYS A 142 4.280 19.506 -0.628 1.00 0.00 H ATOM 1100 H LYS A 142 0.303 17.538 6.020 1.00 0.00 H ATOM 1101 N ASP A 143 4.322 16.455 4.985 1.00 24.55 N ATOM 1102 CA ASP A 143 5.721 16.591 5.504 1.00 25.13 C ATOM 1103 C ASP A 143 5.906 16.051 6.945 1.00 26.58 C ATOM 1104 O ASP A 143 6.743 16.518 7.711 1.00 33.63 O ATOM 1105 CB ASP A 143 6.256 18.039 5.296 1.00 26.45 C ATOM 1106 CG ASP A 143 6.317 18.397 3.821 1.00 34.67 C ATOM 1107 OD1 ASP A 143 7.118 17.713 3.088 1.00 38.60 O ATOM 1108 OD2 ASP A 143 5.544 19.302 3.386 1.00 36.04 O ATOM 1109 H ASP A 143 4.147 15.832 4.171 1.00 0.00 H ATOM 1110 N ALA A 144 5.082 15.046 7.304 1.00 24.13 N ATOM 1111 CA ALA A 144 5.205 14.354 8.598 1.00 25.65 C ATOM 1112 C ALA A 144 6.467 13.515 8.678 1.00 24.87 C ATOM 1113 O ALA A 144 6.869 12.892 7.697 1.00 27.94 O ATOM 1114 CB ALA A 144 4.013 13.442 8.883 1.00 26.91 C ATOM 1115 H ALA A 144 4.334 14.750 6.645 1.00 0.00 H ATOM 1116 N GLN A 145 7.059 13.495 9.863 1.00 27.61 N ATOM 1117 CA GLN A 145 8.278 12.691 10.136 1.00 30.94 C ATOM 1118 C GLN A 145 7.982 11.689 11.236 1.00 25.18 C ATOM 1119 O GLN A 145 7.634 12.051 12.358 1.00 29.23 O ATOM 1120 CB GLN A 145 9.496 13.576 10.459 1.00 40.59 C ATOM 1121 CG GLN A 145 10.040 14.298 9.212 1.00 52.84 C ATOM 1122 CD GLN A 145 11.184 15.258 9.529 1.00 71.05 C ATOM 1123 OE1 GLN A 145 10.965 16.436 9.831 1.00 68.05 O ATOM 1124 NE2 GLN A 145 12.415 14.763 9.447 1.00 92.91 N ATOM 1125 HE22 GLN A 145 12.558 13.766 9.190 1.00 0.00 H ATOM 1126 HE21 GLN A 145 13.235 15.373 9.640 1.00 0.00 H ATOM 1127 H GLN A 145 6.654 14.065 10.633 1.00 0.00 H ATOM 1128 N ASN A 146 7.990 10.401 10.855 1.00 24.62 N ATOM 1129 CA ASN A 146 7.643 9.322 11.789 1.00 20.92 C ATOM 1130 C ASN A 146 8.164 8.027 11.186 1.00 19.72 C ATOM 1131 O ASN A 146 8.792 8.059 10.133 1.00 25.00 O ATOM 1132 CB ASN A 146 6.148 9.329 12.115 1.00 20.78 C ATOM 1133 CG ASN A 146 5.284 9.113 10.889 1.00 18.07 C ATOM 1134 OD1 ASN A 146 5.512 8.167 10.109 1.00 21.30 O ATOM 1135 ND2 ASN A 146 4.251 9.963 10.729 1.00 19.22 N ATOM 1136 HD22 ASN A 146 4.104 10.737 11.408 1.00 0.00 H ATOM 1137 HD21 ASN A 146 3.600 9.845 9.926 1.00 0.00 H ATOM 1138 H ASN A 146 8.248 10.162 9.876 1.00 0.00 H ATOM 1139 N LYS A 147 7.939 6.910 11.857 1.00 19.31 N ATOM 1140 CA LYS A 147 8.494 5.596 11.448 1.00 19.86 C ATOM 1141 C LYS A 147 7.683 4.850 10.347 1.00 17.30 C ATOM 1142 O LYS A 147 8.011 3.720 10.008 1.00 20.70 O ATOM 1143 CB LYS A 147 8.635 4.700 12.720 1.00 25.30 C ATOM 1144 CG LYS A 147 9.750 5.166 13.605 1.00 28.49 C ATOM 1145 CD LYS A 147 9.905 4.306 14.823 1.00 31.91 C ATOM 1146 CE LYS A 147 10.958 4.881 15.774 1.00 43.54 C ATOM 1147 NZ LYS A 147 11.131 4.001 16.975 1.00 52.33 N ATOM 1148 HZ1 LYS A 147 10.226 3.927 17.482 1.00 0.00 H ATOM 1149 HZ2 LYS A 147 11.437 3.055 16.669 1.00 0.00 H ATOM 1150 HZ3 LYS A 147 11.850 4.412 17.604 1.00 0.00 H ATOM 1151 H LYS A 147 7.346 6.954 12.710 1.00 0.00 H ATOM 1152 N ALA A 148 6.545 5.417 9.917 1.00 16.09 N ATOM 1153 CA ALA A 148 5.705 4.736 8.938 1.00 14.86 C ATOM 1154 C ALA A 148 6.370 4.599 7.604 1.00 14.40 C ATOM 1155 O ALA A 148 7.316 5.352 7.242 1.00 19.21 O ATOM 1156 CB ALA A 148 4.343 5.439 8.826 1.00 16.41 C ATOM 1157 H ALA A 148 6.260 6.348 10.284 1.00 0.00 H ATOM 1158 N THR A 149 5.885 3.627 6.822 1.00 14.21 N ATOM 1159 CA THR A 149 6.226 3.614 5.389 1.00 14.50 C ATOM 1160 C THR A 149 5.936 4.943 4.727 1.00 16.50 C ATOM 1161 O THR A 149 4.969 5.574 5.022 1.00 15.37 O ATOM 1162 CB THR A 149 5.474 2.420 4.726 1.00 15.25 C ATOM 1163 OG1 THR A 149 5.636 1.207 5.497 1.00 15.00 O ATOM 1164 CG2 THR A 149 5.943 2.214 3.276 1.00 15.53 C ATOM 1165 HG1 THR A 149 5.271 1.345 6.407 1.00 0.00 H ATOM 1166 H THR A 149 5.273 2.888 7.222 1.00 0.00 H ATOM 1167 N ASP A 150 6.787 5.349 3.754 1.00 18.02 N ATOM 1168 CA ASP A 150 6.703 6.688 3.147 1.00 20.58 C ATOM 1169 C ASP A 150 5.279 7.081 2.782 1.00 17.76 C ATOM 1170 O ASP A 150 4.840 8.163 3.216 1.00 22.76 O ATOM 1171 CB ASP A 150 7.691 6.819 1.964 1.00 23.80 C ATOM 1172 CG ASP A 150 7.507 5.739 0.852 1.00 29.66 C ATOM 1173 OD1 ASP A 150 6.546 4.877 0.808 1.00 28.16 O ATOM 1174 OD2 ASP A 150 8.352 5.790 -0.092 1.00 37.05 O ATOM 1175 H ASP A 150 7.524 4.693 3.425 1.00 0.00 H ATOM 1176 N TRP A 151 4.540 6.214 2.040 1.00 19.46 N ATOM 1177 CA TRP A 151 3.221 6.563 1.501 1.00 17.31 C ATOM 1178 C TRP A 151 2.232 6.833 2.662 1.00 15.00 C ATOM 1179 O TRP A 151 1.249 7.584 2.527 1.00 19.19 O ATOM 1180 CB TRP A 151 2.632 5.457 0.602 1.00 19.64 C ATOM 1181 CG TRP A 151 2.286 4.199 1.312 1.00 20.81 C ATOM 1182 CD1 TRP A 151 3.077 3.088 1.484 1.00 20.75 C ATOM 1183 CD2 TRP A 151 1.075 3.916 2.037 1.00 18.22 C ATOM 1184 NE1 TRP A 151 2.425 2.158 2.275 1.00 24.18 N ATOM 1185 CE2 TRP A 151 1.185 2.628 2.575 1.00 20.05 C ATOM 1186 CE3 TRP A 151 -0.125 4.626 2.228 1.00 21.84 C ATOM 1187 CZ2 TRP A 151 0.163 2.048 3.358 1.00 19.29 C ATOM 1188 CZ3 TRP A 151 -1.096 4.086 2.986 1.00 22.30 C ATOM 1189 CH2 TRP A 151 -0.979 2.808 3.547 1.00 22.09 C ATOM 1190 HE1 TRP A 151 2.819 1.248 2.589 1.00 0.00 H ATOM 1191 H TRP A 151 4.924 5.267 1.847 1.00 0.00 H ATOM 1192 N ALA A 152 2.522 6.254 3.836 1.00 15.21 N ATOM 1193 CA ALA A 152 1.622 6.298 4.982 1.00 13.86 C ATOM 1194 C ALA A 152 1.968 7.280 6.053 1.00 14.43 C ATOM 1195 O ALA A 152 1.216 7.424 7.062 1.00 14.28 O ATOM 1196 CB ALA A 152 1.561 4.912 5.592 1.00 13.58 C ATOM 1197 H ALA A 152 3.428 5.752 3.933 1.00 0.00 H ATOM 1198 N LYS A 153 3.091 7.982 5.938 1.00 15.82 N ATOM 1199 CA LYS A 153 3.490 8.832 7.015 1.00 17.66 C ATOM 1200 C LYS A 153 2.466 9.867 7.406 1.00 16.90 C ATOM 1201 O LYS A 153 2.286 10.097 8.640 1.00 18.26 O ATOM 1202 CB LYS A 153 4.809 9.560 6.657 1.00 21.65 C ATOM 1203 CG LYS A 153 5.961 8.630 6.683 1.00 20.08 C ATOM 1204 CD LYS A 153 7.219 9.377 6.178 1.00 21.77 C ATOM 1205 CE LYS A 153 8.389 8.380 6.030 1.00 22.46 C ATOM 1206 NZ LYS A 153 8.858 7.816 7.330 1.00 22.92 N ATOM 1207 HZ1 LYS A 153 9.183 8.589 7.945 1.00 0.00 H ATOM 1208 HZ2 LYS A 153 8.074 7.311 7.790 1.00 0.00 H ATOM 1209 HZ3 LYS A 153 9.643 7.156 7.157 1.00 0.00 H ATOM 1210 H LYS A 153 3.670 7.914 5.077 1.00 0.00 H ATOM 1211 N GLY A 154 1.866 10.514 6.421 1.00 17.67 N ATOM 1212 CA GLY A 154 0.858 11.583 6.709 1.00 17.05 C ATOM 1213 C GLY A 154 -0.329 10.997 7.388 1.00 15.44 C ATOM 1214 O GLY A 154 -0.979 11.664 8.231 1.00 15.56 O ATOM 1215 H GLY A 154 2.097 10.278 5.435 1.00 0.00 H ATOM 1216 N TYR A 155 -0.708 9.779 6.969 1.00 13.92 N ATOM 1217 CA TYR A 155 -1.926 9.156 7.539 1.00 12.53 C ATOM 1218 C TYR A 155 -1.695 8.678 8.971 1.00 12.26 C ATOM 1219 O TYR A 155 -2.528 8.901 9.842 1.00 11.37 O ATOM 1220 CB TYR A 155 -2.388 7.973 6.684 1.00 12.38 C ATOM 1221 CG TYR A 155 -2.814 8.328 5.298 1.00 13.34 C ATOM 1222 CD1 TYR A 155 -4.058 8.906 5.040 1.00 17.44 C ATOM 1223 CD2 TYR A 155 -1.970 8.074 4.244 1.00 19.42 C ATOM 1224 CE1 TYR A 155 -4.434 9.227 3.733 1.00 19.60 C ATOM 1225 CE2 TYR A 155 -2.315 8.382 2.975 1.00 21.08 C ATOM 1226 CZ TYR A 155 -3.494 8.961 2.685 1.00 22.93 C ATOM 1227 OH TYR A 155 -3.718 9.191 1.305 1.00 30.20 O ATOM 1228 HH TYR A 155 -3.011 9.788 0.952 1.00 0.00 H ATOM 1229 H TYR A 155 -0.151 9.276 6.249 1.00 0.00 H ATOM 1230 N PHE A 156 -0.521 8.072 9.226 1.00 12.27 N ATOM 1231 CA PHE A 156 -0.182 7.637 10.560 1.00 11.38 C ATOM 1232 C PHE A 156 -0.074 8.861 11.493 1.00 12.18 C ATOM 1233 O PHE A 156 -0.606 8.851 12.623 1.00 12.43 O ATOM 1234 CB PHE A 156 1.111 6.836 10.580 1.00 12.51 C ATOM 1235 CG PHE A 156 1.522 6.344 11.934 1.00 12.99 C ATOM 1236 CD1 PHE A 156 0.667 5.531 12.730 1.00 12.65 C ATOM 1237 CD2 PHE A 156 2.734 6.756 12.463 1.00 15.44 C ATOM 1238 CE1 PHE A 156 1.043 5.101 13.975 1.00 13.13 C ATOM 1239 CE2 PHE A 156 3.108 6.294 13.692 1.00 15.90 C ATOM 1240 CZ PHE A 156 2.286 5.486 14.476 1.00 15.96 C ATOM 1241 H PHE A 156 0.153 7.915 8.450 1.00 0.00 H ATOM 1242 N GLU A 157 0.528 9.954 11.038 1.00 13.38 N ATOM 1243 CA GLU A 157 0.608 11.155 11.841 1.00 15.43 C ATOM 1244 C GLU A 157 -0.769 11.728 12.173 1.00 14.28 C ATOM 1245 O GLU A 157 -1.004 12.022 13.344 1.00 15.42 O ATOM 1246 CB GLU A 157 1.436 12.188 11.070 1.00 18.62 C ATOM 1247 CG GLU A 157 1.846 13.363 11.928 1.00 22.38 C ATOM 1248 CD GLU A 157 3.124 13.117 12.733 1.00 28.83 C ATOM 1249 OE1 GLU A 157 3.657 11.965 12.676 1.00 32.12 O ATOM 1250 OE2 GLU A 157 3.546 14.039 13.436 1.00 39.93 O ATOM 1251 H GLU A 157 0.950 9.946 10.087 1.00 0.00 H ATOM 1252 N ALA A 158 -1.671 11.744 11.193 1.00 13.04 N ATOM 1253 CA ALA A 158 -3.006 12.248 11.413 1.00 13.83 C ATOM 1254 C ALA A 158 -3.703 11.378 12.416 1.00 13.02 C ATOM 1255 O ALA A 158 -4.448 11.874 13.287 1.00 13.82 O ATOM 1256 CB ALA A 158 -3.798 12.357 10.116 1.00 16.00 C ATOM 1257 H ALA A 158 -1.409 11.387 10.252 1.00 0.00 H ATOM 1258 N ALA A 159 -3.548 10.051 12.292 1.00 11.51 N ATOM 1259 CA ALA A 159 -4.192 9.153 13.239 1.00 12.10 C ATOM 1260 C ALA A 159 -3.719 9.273 14.678 1.00 10.88 C ATOM 1261 O ALA A 159 -4.518 9.281 15.602 1.00 12.51 O ATOM 1262 CB ALA A 159 -4.018 7.710 12.783 1.00 11.07 C ATOM 1263 H ALA A 159 -2.968 9.665 11.520 1.00 0.00 H ATOM 1264 N VAL A 160 -2.433 9.484 14.858 1.00 11.54 N ATOM 1265 CA VAL A 160 -1.844 9.729 16.157 1.00 13.30 C ATOM 1266 C VAL A 160 -2.338 11.061 16.703 1.00 14.19 C ATOM 1267 O VAL A 160 -2.776 11.141 17.875 1.00 15.28 O ATOM 1268 CB VAL A 160 -0.317 9.681 16.078 1.00 14.06 C ATOM 1269 CG1 VAL A 160 0.296 10.166 17.384 1.00 16.37 C ATOM 1270 CG2 VAL A 160 0.124 8.276 15.817 1.00 16.10 C ATOM 1271 H VAL A 160 -1.809 9.474 14.026 1.00 0.00 H ATOM 1272 N ASN A 161 -2.370 12.088 15.871 1.00 16.42 N ATOM 1273 CA ASN A 161 -2.815 13.431 16.316 1.00 16.27 C ATOM 1274 C ASN A 161 -4.259 13.387 16.747 1.00 16.15 C ATOM 1275 O ASN A 161 -4.669 14.165 17.639 1.00 20.83 O ATOM 1276 CB ASN A 161 -2.681 14.458 15.210 1.00 18.77 C ATOM 1277 CG ASN A 161 -1.206 14.834 14.933 1.00 20.69 C ATOM 1278 OD1 ASN A 161 -0.339 14.541 15.731 1.00 24.94 O ATOM 1279 ND2 ASN A 161 -0.936 15.463 13.800 1.00 21.63 N ATOM 1280 HD22 ASN A 161 -1.704 15.698 13.140 1.00 0.00 H ATOM 1281 HD21 ASN A 161 0.045 15.722 13.570 1.00 0.00 H ATOM 1282 H ASN A 161 -2.077 11.951 14.883 1.00 0.00 H ATOM 1283 N ALA A 162 -5.044 12.536 16.076 1.00 14.56 N ATOM 1284 CA ALA A 162 -6.488 12.417 16.410 1.00 15.21 C ATOM 1285 C ALA A 162 -6.803 11.487 17.592 1.00 16.94 C ATOM 1286 O ALA A 162 -7.964 11.254 17.944 1.00 18.30 O ATOM 1287 CB ALA A 162 -7.240 11.963 15.154 1.00 15.39 C ATOM 1288 H ALA A 162 -4.641 11.953 15.315 1.00 0.00 H ATOM 1289 N GLY A 163 -5.790 10.859 18.140 1.00 13.90 N ATOM 1290 CA GLY A 163 -5.913 9.965 19.227 1.00 13.46 C ATOM 1291 C GLY A 163 -6.447 8.581 18.889 1.00 13.04 C ATOM 1292 O GLY A 163 -7.005 7.898 19.714 1.00 15.54 O ATOM 1293 H GLY A 163 -4.840 11.029 17.751 1.00 0.00 H ATOM 1294 N LEU A 164 -6.165 8.113 17.666 1.00 12.49 N ATOM 1295 CA LEU A 164 -6.617 6.778 17.282 1.00 10.57 C ATOM 1296 C LEU A 164 -5.661 5.687 17.685 1.00 11.42 C ATOM 1297 O LEU A 164 -6.021 4.569 17.934 1.00 14.03 O ATOM 1298 CB LEU A 164 -6.818 6.723 15.765 1.00 10.76 C ATOM 1299 CG LEU A 164 -7.809 7.734 15.194 1.00 11.75 C ATOM 1300 CD1 LEU A 164 -7.942 7.613 13.673 1.00 13.81 C ATOM 1301 CD2 LEU A 164 -9.176 7.663 15.853 1.00 16.19 C ATOM 1302 H LEU A 164 -5.627 8.697 16.994 1.00 0.00 H ATOM 1303 N PHE A 165 -4.339 6.017 17.549 1.00 11.67 N ATOM 1304 CA PHE A 165 -3.269 5.137 17.940 1.00 12.32 C ATOM 1305 C PHE A 165 -2.266 5.898 18.813 1.00 12.96 C ATOM 1306 O PHE A 165 -2.145 7.097 18.653 1.00 13.71 O ATOM 1307 CB PHE A 165 -2.503 4.567 16.728 1.00 12.91 C ATOM 1308 CG PHE A 165 -3.383 3.658 15.866 1.00 11.14 C ATOM 1309 CD1 PHE A 165 -3.763 2.409 16.285 1.00 15.92 C ATOM 1310 CD2 PHE A 165 -3.856 4.091 14.661 1.00 12.66 C ATOM 1311 CE1 PHE A 165 -4.630 1.627 15.537 1.00 18.23 C ATOM 1312 CE2 PHE A 165 -4.739 3.306 13.927 1.00 14.49 C ATOM 1313 CZ PHE A 165 -5.108 2.102 14.332 1.00 15.14 C ATOM 1314 H PHE A 165 -4.097 6.944 17.145 1.00 0.00 H ATOM 1315 N SER A 166 -1.550 5.159 19.665 1.00 13.30 N ATOM 1316 CA SER A 166 -0.487 5.731 20.486 1.00 14.19 C ATOM 1317 C SER A 166 0.648 6.245 19.612 1.00 15.83 C ATOM 1318 O SER A 166 0.991 5.610 18.604 1.00 13.91 O ATOM 1319 CB SER A 166 0.103 4.634 21.378 1.00 15.85 C ATOM 1320 OG SER A 166 1.213 5.090 22.056 1.00 20.23 O ATOM 1321 HG SER A 166 0.958 5.859 22.625 1.00 0.00 H ATOM 1322 H SER A 166 -1.757 4.143 19.746 1.00 0.00 H ATOM 1323 N LYS A 167 1.227 7.363 20.033 1.00 15.91 N ATOM 1324 CA LYS A 167 2.460 7.848 19.430 1.00 18.12 C ATOM 1325 C LYS A 167 3.562 6.801 19.445 1.00 16.37 C ATOM 1326 O LYS A 167 4.506 6.885 18.641 1.00 21.45 O ATOM 1327 CB LYS A 167 2.898 9.158 20.097 1.00 21.09 C ATOM 1328 CG LYS A 167 3.476 9.030 21.481 1.00 24.35 C ATOM 1329 CD LYS A 167 3.712 10.403 22.104 1.00 31.02 C ATOM 1330 CE LYS A 167 4.401 10.259 23.466 1.00 39.50 C ATOM 1331 NZ LYS A 167 5.509 9.234 23.455 1.00 47.22 N ATOM 1332 HZ1 LYS A 167 5.118 8.306 23.196 1.00 0.00 H ATOM 1333 HZ2 LYS A 167 6.231 9.513 22.761 1.00 0.00 H ATOM 1334 HZ3 LYS A 167 5.938 9.179 24.401 1.00 0.00 H ATOM 1335 H LYS A 167 0.792 7.902 20.808 1.00 0.00 H ATOM 1336 N ASP A 168 3.485 5.831 20.368 1.00 17.62 N ATOM 1337 CA ASP A 168 4.527 4.792 20.450 1.00 18.25 C ATOM 1338 C ASP A 168 4.171 3.512 19.703 1.00 15.45 C ATOM 1339 O ASP A 168 4.882 2.535 19.781 1.00 19.25 O ATOM 1340 CB ASP A 168 4.777 4.473 21.936 1.00 21.88 C ATOM 1341 CG ASP A 168 5.305 5.690 22.721 1.00 28.04 C ATOM 1342 OD1 ASP A 168 6.230 6.376 22.210 1.00 32.94 O ATOM 1343 OD2 ASP A 168 4.806 5.937 23.861 1.00 40.65 O ATOM 1344 H ASP A 168 2.684 5.812 21.031 1.00 0.00 H ATOM 1345 N ALA A 169 3.012 3.497 19.040 1.00 13.88 N ATOM 1346 CA ALA A 169 2.654 2.334 18.219 1.00 14.01 C ATOM 1347 C ALA A 169 3.676 2.177 17.076 1.00 12.51 C ATOM 1348 O ALA A 169 4.250 3.193 16.589 1.00 15.52 O ATOM 1349 CB ALA A 169 1.277 2.505 17.654 1.00 13.76 C ATOM 1350 H ALA A 169 2.364 4.308 19.105 1.00 0.00 H ATOM 1351 N ASN A 170 3.908 0.916 16.692 1.00 13.82 N ATOM 1352 CA ASN A 170 4.740 0.603 15.569 1.00 12.82 C ATOM 1353 C ASN A 170 3.855 0.604 14.299 1.00 12.61 C ATOM 1354 O ASN A 170 3.029 -0.293 14.157 1.00 12.19 O ATOM 1355 CB ASN A 170 5.356 -0.767 15.734 1.00 12.73 C ATOM 1356 CG ASN A 170 6.297 -1.126 14.621 1.00 15.12 C ATOM 1357 OD1 ASN A 170 6.357 -0.407 13.608 1.00 15.57 O ATOM 1358 ND2 ASN A 170 7.017 -2.261 14.799 1.00 19.81 N ATOM 1359 HD22 ASN A 170 6.913 -2.811 15.676 1.00 0.00 H ATOM 1360 HD21 ASN A 170 7.674 -2.582 14.059 1.00 0.00 H ATOM 1361 H ASN A 170 3.470 0.139 17.226 1.00 0.00 H ATOM 1362 N PRO A 171 4.002 1.632 13.442 1.00 12.60 N ATOM 1363 CA PRO A 171 3.130 1.692 12.229 1.00 12.06 C ATOM 1364 C PRO A 171 3.217 0.448 11.356 1.00 11.70 C ATOM 1365 O PRO A 171 2.292 0.106 10.640 1.00 11.56 O ATOM 1366 CB PRO A 171 3.556 2.986 11.533 1.00 13.21 C ATOM 1367 CG PRO A 171 4.979 3.164 12.010 1.00 13.91 C ATOM 1368 CD PRO A 171 5.009 2.714 13.450 1.00 12.34 C ATOM 1369 N LYS A 172 4.359 -0.235 11.381 1.00 11.58 N ATOM 1370 CA LYS A 172 4.573 -1.416 10.545 1.00 11.55 C ATOM 1371 C LYS A 172 4.142 -2.736 11.145 1.00 10.63 C ATOM 1372 O LYS A 172 4.165 -3.788 10.501 1.00 11.93 O ATOM 1373 CB LYS A 172 6.074 -1.474 10.170 1.00 14.52 C ATOM 1374 CG LYS A 172 6.376 -0.316 9.217 1.00 19.46 C ATOM 1375 CD LYS A 172 7.808 -0.253 8.739 1.00 22.56 C ATOM 1376 CE LYS A 172 8.031 0.995 7.878 1.00 20.79 C ATOM 1377 NZ LYS A 172 9.436 1.113 7.501 1.00 34.87 N ATOM 1378 HZ1 LYS A 172 10.019 1.186 8.359 1.00 0.00 H ATOM 1379 HZ2 LYS A 172 9.720 0.273 6.958 1.00 0.00 H ATOM 1380 HZ3 LYS A 172 9.567 1.964 6.918 1.00 0.00 H ATOM 1381 H LYS A 172 5.122 0.080 12.014 1.00 0.00 H ATOM 1382 N ALA A 173 3.734 -2.713 12.429 1.00 10.18 N ATOM 1383 CA ALA A 173 3.276 -3.919 13.036 1.00 11.38 C ATOM 1384 C ALA A 173 1.768 -4.182 12.727 1.00 9.87 C ATOM 1385 O ALA A 173 1.037 -3.274 12.359 1.00 10.63 O ATOM 1386 CB ALA A 173 3.339 -3.793 14.583 1.00 11.14 C ATOM 1387 H ALA A 173 3.753 -1.826 12.971 1.00 0.00 H ATOM 1388 N ASN A 174 1.384 -5.441 12.812 1.00 8.72 N ATOM 1389 CA ASN A 174 -0.034 -5.808 12.687 1.00 9.90 C ATOM 1390 C ASN A 174 -0.766 -5.188 13.892 1.00 10.03 C ATOM 1391 O ASN A 174 -0.329 -5.297 15.012 1.00 12.06 O ATOM 1392 CB ASN A 174 -0.182 -7.321 12.693 1.00 11.55 C ATOM 1393 CG ASN A 174 0.466 -7.966 11.449 1.00 12.46 C ATOM 1394 OD1 ASN A 174 0.585 -7.305 10.429 1.00 13.18 O ATOM 1395 ND2 ASN A 174 0.872 -9.177 11.536 1.00 15.30 N ATOM 1396 HD22 ASN A 174 0.751 -9.704 12.425 1.00 0.00 H ATOM 1397 HD21 ASN A 174 1.323 -9.634 10.718 1.00 0.00 H ATOM 1398 H ASN A 174 2.094 -6.184 12.970 1.00 0.00 H ATOM 1399 N ALA A 175 -1.905 -4.573 13.573 1.00 9.09 N ATOM 1400 CA ALA A 175 -2.743 -3.966 14.581 1.00 9.94 C ATOM 1401 C ALA A 175 -3.480 -5.015 15.385 1.00 9.42 C ATOM 1402 O ALA A 175 -4.068 -5.946 14.823 1.00 9.33 O ATOM 1403 CB ALA A 175 -3.740 -3.010 13.971 1.00 10.57 C ATOM 1404 H ALA A 175 -2.197 -4.529 12.576 1.00 0.00 H ATOM 1405 N THR A 176 -3.459 -4.864 16.708 1.00 9.54 N ATOM 1406 CA THR A 176 -4.225 -5.773 17.580 1.00 10.10 C ATOM 1407 C THR A 176 -5.676 -5.359 17.646 1.00 7.81 C ATOM 1408 O THR A 176 -6.039 -4.232 17.383 1.00 8.15 O ATOM 1409 CB THR A 176 -3.663 -5.843 19.010 1.00 10.74 C ATOM 1410 OG1 THR A 176 -3.746 -4.539 19.579 1.00 11.31 O ATOM 1411 CG2 THR A 176 -2.220 -6.286 18.921 1.00 13.62 C ATOM 1412 HG1 THR A 176 -3.389 -4.560 20.502 1.00 0.00 H ATOM 1413 H THR A 176 -2.897 -4.098 17.130 1.00 0.00 H ATOM 1414 N ARG A 177 -6.500 -6.346 18.048 1.00 7.63 N ATOM 1415 CA ARG A 177 -7.880 -6.008 18.351 1.00 7.49 C ATOM 1416 C ARG A 177 -7.994 -4.907 19.396 1.00 7.90 C ATOM 1417 O ARG A 177 -8.825 -4.004 19.248 1.00 7.56 O ATOM 1418 CB ARG A 177 -8.656 -7.247 18.722 1.00 8.41 C ATOM 1419 CG ARG A 177 -8.926 -8.229 17.571 1.00 9.03 C ATOM 1420 CD ARG A 177 -9.555 -9.553 17.966 1.00 9.97 C ATOM 1421 NE ARG A 177 -10.774 -9.353 18.719 1.00 9.47 N ATOM 1422 CZ ARG A 177 -11.974 -9.072 18.185 1.00 10.97 C ATOM 1423 NH1 ARG A 177 -12.111 -8.883 16.837 1.00 10.22 N ATOM 1424 NH2 ARG A 177 -13.008 -8.934 18.996 1.00 11.86 N ATOM 1425 HE ARG A 177 -10.717 -9.433 19.754 1.00 0.00 H ATOM 1426 HH12 ARG A 177 -13.045 -8.666 16.435 1.00 0.00 H ATOM 1427 HH11 ARG A 177 -11.281 -8.956 16.215 1.00 0.00 H ATOM 1428 HH22 ARG A 177 -13.948 -8.716 18.608 1.00 0.00 H ATOM 1429 HH21 ARG A 177 -12.882 -9.043 20.023 1.00 0.00 H ATOM 1430 H ARG A 177 -6.157 -7.324 18.139 1.00 0.00 H ATOM 1431 N ALA A 178 -7.152 -4.956 20.417 1.00 8.02 N ATOM 1432 CA ALA A 178 -7.105 -3.868 21.404 1.00 9.08 C ATOM 1433 C ALA A 178 -6.922 -2.503 20.786 1.00 8.29 C ATOM 1434 O ALA A 178 -7.583 -1.551 21.119 1.00 8.37 O ATOM 1435 CB ALA A 178 -6.067 -4.140 22.432 1.00 10.64 C ATOM 1436 H ALA A 178 -6.517 -5.773 20.522 1.00 0.00 H ATOM 1437 N GLN A 179 -5.944 -2.407 19.838 1.00 8.27 N ATOM 1438 CA GLN A 179 -5.714 -1.151 19.179 1.00 8.59 C ATOM 1439 C GLN A 179 -6.925 -0.707 18.375 1.00 8.40 C ATOM 1440 O GLN A 179 -7.197 0.511 18.365 1.00 9.35 O ATOM 1441 CB GLN A 179 -4.474 -1.259 18.282 1.00 9.73 C ATOM 1442 CG GLN A 179 -3.167 -1.239 19.086 1.00 9.30 C ATOM 1443 CD GLN A 179 -1.983 -1.424 18.202 1.00 9.55 C ATOM 1444 OE1 GLN A 179 -1.903 -2.423 17.505 1.00 10.98 O ATOM 1445 NE2 GLN A 179 -1.035 -0.534 18.301 1.00 13.60 N ATOM 1446 HE22 GLN A 179 -1.164 0.297 18.913 1.00 0.00 H ATOM 1447 HE21 GLN A 179 -0.150 -0.655 17.768 1.00 0.00 H ATOM 1448 H GLN A 179 -5.369 -3.238 19.594 1.00 0.00 H ATOM 1449 N LEU A 180 -7.634 -1.613 17.738 1.00 8.48 N ATOM 1450 CA LEU A 180 -8.801 -1.188 17.000 1.00 9.70 C ATOM 1451 C LEU A 180 -9.975 -0.836 17.920 1.00 8.16 C ATOM 1452 O LEU A 180 -10.756 0.048 17.577 1.00 8.96 O ATOM 1453 CB LEU A 180 -9.196 -2.194 15.957 1.00 11.06 C ATOM 1454 CG LEU A 180 -8.530 -1.896 14.590 1.00 14.00 C ATOM 1455 CD1 LEU A 180 -8.723 -0.527 14.007 1.00 17.77 C ATOM 1456 CD2 LEU A 180 -7.064 -2.087 14.692 1.00 17.53 C ATOM 1457 H LEU A 180 -7.360 -2.616 17.765 1.00 0.00 H ATOM 1458 N VAL A 181 -10.025 -1.467 19.112 1.00 8.15 N ATOM 1459 CA VAL A 181 -10.990 -0.989 20.113 1.00 8.48 C ATOM 1460 C VAL A 181 -10.729 0.453 20.518 1.00 8.77 C ATOM 1461 O VAL A 181 -11.642 1.308 20.574 1.00 8.83 O ATOM 1462 CB VAL A 181 -11.014 -1.918 21.303 1.00 9.27 C ATOM 1463 CG1 VAL A 181 -11.760 -1.285 22.510 1.00 9.99 C ATOM 1464 CG2 VAL A 181 -11.613 -3.278 20.944 1.00 9.38 C ATOM 1465 H VAL A 181 -9.397 -2.270 19.317 1.00 0.00 H ATOM 1466 N GLU A 182 -9.447 0.739 20.817 1.00 8.30 N ATOM 1467 CA GLU A 182 -9.074 2.114 21.219 1.00 10.98 C ATOM 1468 C GLU A 182 -9.395 3.088 20.096 1.00 9.63 C ATOM 1469 O GLU A 182 -9.937 4.185 20.318 1.00 10.52 O ATOM 1470 CB GLU A 182 -7.588 2.193 21.581 1.00 10.78 C ATOM 1471 CG GLU A 182 -7.253 1.457 22.878 1.00 13.07 C ATOM 1472 CD GLU A 182 -7.667 2.141 24.156 1.00 15.27 C ATOM 1473 OE1 GLU A 182 -7.881 3.385 24.124 1.00 16.35 O ATOM 1474 OE2 GLU A 182 -7.713 1.367 25.162 1.00 15.73 O ATOM 1475 H GLU A 182 -8.721 -0.004 20.766 1.00 0.00 H ATOM 1476 N ALA A 183 -9.046 2.700 18.858 1.00 8.19 N ATOM 1477 CA ALA A 183 -9.304 3.573 17.701 1.00 8.37 C ATOM 1478 C ALA A 183 -10.779 3.803 17.484 1.00 9.05 C ATOM 1479 O ALA A 183 -11.186 4.940 17.230 1.00 9.99 O ATOM 1480 CB ALA A 183 -8.618 3.027 16.453 1.00 10.23 C ATOM 1481 H ALA A 183 -8.590 1.776 18.716 1.00 0.00 H ATOM 1482 N ALA A 184 -11.585 2.719 17.583 1.00 8.98 N ATOM 1483 CA ALA A 184 -12.984 2.833 17.377 1.00 10.26 C ATOM 1484 C ALA A 184 -13.610 3.707 18.461 1.00 10.82 C ATOM 1485 O ALA A 184 -14.541 4.466 18.202 1.00 12.10 O ATOM 1486 CB ALA A 184 -13.637 1.453 17.379 1.00 10.52 C ATOM 1487 H ALA A 184 -11.173 1.792 17.813 1.00 0.00 H ATOM 1488 N PHE A 185 -13.155 3.547 19.706 1.00 10.05 N ATOM 1489 CA PHE A 185 -13.737 4.331 20.806 1.00 10.99 C ATOM 1490 C PHE A 185 -13.495 5.804 20.593 1.00 12.53 C ATOM 1491 O PHE A 185 -14.378 6.607 20.712 1.00 15.43 O ATOM 1492 CB PHE A 185 -13.131 3.860 22.136 1.00 11.03 C ATOM 1493 CG PHE A 185 -13.806 4.430 23.362 1.00 12.85 C ATOM 1494 CD1 PHE A 185 -14.929 3.819 23.866 1.00 12.32 C ATOM 1495 CD2 PHE A 185 -13.290 5.540 23.977 1.00 15.49 C ATOM 1496 CE1 PHE A 185 -15.584 4.323 24.983 1.00 16.15 C ATOM 1497 CE2 PHE A 185 -13.911 6.066 25.094 1.00 19.49 C ATOM 1498 CZ PHE A 185 -15.041 5.436 25.584 1.00 17.98 C ATOM 1499 H PHE A 185 -12.390 2.869 19.898 1.00 0.00 H ATOM 1500 N ALA A 186 -12.283 6.135 20.170 1.00 10.36 N ATOM 1501 CA ALA A 186 -11.930 7.496 19.846 1.00 14.12 C ATOM 1502 C ALA A 186 -12.735 8.003 18.646 1.00 14.80 C ATOM 1503 O ALA A 186 -13.189 9.133 18.670 1.00 18.49 O ATOM 1504 CB ALA A 186 -10.413 7.621 19.587 1.00 15.16 C ATOM 1505 H ALA A 186 -11.564 5.390 20.069 1.00 0.00 H ATOM 1506 N ALA A 187 -12.870 7.188 17.585 1.00 12.23 N ATOM 1507 CA ALA A 187 -13.620 7.602 16.383 1.00 14.36 C ATOM 1508 C ALA A 187 -15.075 7.811 16.671 1.00 20.34 C ATOM 1509 O ALA A 187 -15.641 8.774 16.199 1.00 23.10 O ATOM 1510 CB ALA A 187 -13.445 6.530 15.363 1.00 15.24 C ATOM 1511 H ALA A 187 -12.436 6.243 17.612 1.00 0.00 H ATOM 1512 N ASP A 188 -15.635 6.960 17.537 1.00 20.14 N ATOM 1513 CA ASP A 188 -17.054 7.045 17.913 1.00 23.09 C ATOM 1514 C ASP A 188 -17.248 8.368 18.686 1.00 23.98 C ATOM 1515 O ASP A 188 -18.235 9.077 18.460 1.00 35.08 O ATOM 1516 CB ASP A 188 -17.446 5.806 18.716 1.00 26.18 C ATOM 1517 CG ASP A 188 -18.893 5.777 19.069 1.00 48.97 C ATOM 1518 OD1 ASP A 188 -19.212 6.404 20.090 1.00 62.77 O ATOM 1519 OD2 ASP A 188 -19.684 5.131 18.335 1.00 52.24 O ATOM 1520 H ASP A 188 -15.047 6.213 17.959 1.00 0.00 H ATOM 1521 N GLU A 189 -16.322 8.700 19.600 1.00 29.43 N ATOM 1522 CA GLU A 189 -16.464 9.923 20.416 1.00 42.44 C ATOM 1523 C GLU A 189 -16.384 11.167 19.518 1.00 40.95 C ATOM 1524 O GLU A 189 -17.053 12.168 19.755 1.00 64.70 O ATOM 1525 CB GLU A 189 -15.436 10.028 21.562 1.00 55.73 C ATOM 1526 CG GLU A 189 -15.200 8.798 22.487 1.00 67.58 C ATOM 1527 CD GLU A 189 -16.429 7.967 22.981 1.00 57.05 C ATOM 1528 OE1 GLU A 189 -17.101 8.404 23.948 1.00 77.96 O ATOM 1529 OE2 GLU A 189 -16.589 6.774 22.471 1.00 41.15 O ATOM 1530 H GLU A 189 -15.493 8.087 19.735 1.00 0.00 H ATOM 1531 N MET A 190 -15.574 11.082 18.461 1.00 40.15 N ATOM 1532 CA MET A 190 -15.627 12.110 17.410 1.00 42.93 C ATOM 1533 C MET A 190 -16.928 11.977 16.639 1.00 46.96 C ATOM 1534 O MET A 190 -17.405 12.950 16.171 1.00 69.79 O ATOM 1535 CB MET A 190 -14.513 11.928 16.383 1.00 43.65 C ATOM 1536 CG MET A 190 -13.122 12.251 16.819 1.00 39.64 C ATOM 1537 SD MET A 190 -11.986 11.640 15.536 1.00 38.24 S ATOM 1538 CE MET A 190 -10.801 10.878 16.570 1.00 37.43 C ATOM 1539 H MET A 190 -14.906 10.289 18.380 1.00 0.00 H TER 1540 MET A 190 HETATM 1541 O HOH 1 -25.168 -9.412 8.462 1.00 34.49 O HETATM 1542 O HOH 2 -18.406 -21.351 -1.470 1.00 23.83 O HETATM 1543 O HOH 3 -15.807 -9.437 26.172 1.00 25.02 O HETATM 1544 O HOH 4 -16.761 -18.195 18.737 1.00 42.35 O HETATM 1545 O HOH 5 -8.324 -12.647 25.680 1.00 29.76 O HETATM 1546 O HOH 6 -17.932 -22.398 1.737 1.00 19.22 O HETATM 1547 O HOH 7 -16.072 -6.908 31.014 1.00 34.96 O HETATM 1548 O HOH 8 -4.444 -14.801 5.350 1.00 27.52 O HETATM 1549 O HOH 9 -8.141 -15.773 23.900 1.00 42.61 O HETATM 1550 O HOH 10 3.611 13.238 5.603 1.00 35.32 O HETATM 1551 O HOH 11 -14.399 -15.693 11.326 1.00 31.81 O HETATM 1552 O HOH 12 -21.599 7.816 6.939 1.00 16.96 O HETATM 1553 O HOH 13 -8.979 -15.681 1.679 1.00 21.94 O HETATM 1554 O HOH 14 0.579 -7.501 16.446 1.00 17.51 O HETATM 1555 O HOH 15 5.508 5.570 16.598 1.00 24.48 O HETATM 1556 O HOH 16 -1.982 -13.630 -5.457 1.00 32.00 O HETATM 1557 O HOH 17 -27.269 -6.433 -2.789 1.00 27.57 O HETATM 1558 O HOH 18 -9.040 17.014 3.818 1.00 33.54 O HETATM 1559 O HOH 19 1.783 -1.603 6.112 1.00 17.06 O HETATM 1560 O HOH 20 -6.458 14.544 19.586 1.00 52.64 O HETATM 1561 O HOH 21 -23.189 -5.451 20.068 1.00 28.89 O HETATM 1562 O HOH 22 10.175 2.226 10.496 1.00 45.97 O HETATM 1563 O HOH 23 -2.335 -12.959 4.726 1.00 31.09 O HETATM 1564 O HOH 24 -22.127 2.351 25.051 1.00 31.96 O HETATM 1565 O HOH 25 4.083 15.207 2.623 1.00 41.23 O HETATM 1566 O HOH 26 -13.653 -13.173 13.041 1.00 26.43 O HETATM 1567 O HOH 27 -7.962 -15.042 4.078 1.00 16.70 O HETATM 1568 O HOH 28 -17.648 0.453 29.654 1.00 31.90 O HETATM 1569 O HOH 29 -10.127 -5.792 -8.985 1.00 24.44 O HETATM 1570 O HOH 30 -10.022 -19.108 -4.971 1.00 36.59 O HETATM 1571 O HOH 31 -20.885 1.115 2.106 1.00 9.72 O HETATM 1572 O HOH 32 -20.137 -12.312 21.782 1.00 32.12 O HETATM 1573 O HOH 33 -3.792 -7.356 12.259 1.00 11.40 O HETATM 1574 O HOH 34 -24.829 -3.703 15.657 1.00 29.72 O HETATM 1575 O HOH 35 -12.148 11.066 20.244 1.00 31.08 O HETATM 1576 O HOH 36 -15.296 -18.614 -3.561 1.00 37.45 O HETATM 1577 O HOH 37 -23.514 0.438 1.722 1.00 10.61 O HETATM 1578 O HOH 38 9.762 3.603 6.478 1.00 41.71 O HETATM 1579 O HOH 39 -11.972 -12.904 10.553 1.00 19.11 O HETATM 1580 O HOH 40 -7.968 8.181 22.238 1.00 36.98 O HETATM 1581 O HOH 41 -23.294 -11.371 8.524 1.00 20.30 O HETATM 1582 O HOH 42 3.310 -6.322 10.000 1.00 13.54 O HETATM 1583 O HOH 43 -21.370 -5.511 16.068 1.00 23.12 O HETATM 1584 O HOH 44 -15.580 -1.265 34.993 1.00 23.92 O HETATM 1585 O HOH 45 0.600 9.850 3.900 1.00 34.69 O HETATM 1586 O HOH 46 -9.422 11.396 20.256 1.00 28.64 O HETATM 1587 O HOH 47 -24.546 -3.193 10.145 1.00 25.11 O HETATM 1588 O HOH 48 0.560 -3.477 16.940 1.00 13.28 O HETATM 1589 O HOH 49 0.675 -7.625 7.708 1.00 20.02 O HETATM 1590 O HOH 50 -16.550 -12.575 22.565 1.00 19.95 O HETATM 1591 O HOH 51 -19.203 -17.336 8.742 1.00 21.00 O HETATM 1592 O HOH 52 -17.095 10.464 8.763 1.00 31.55 O HETATM 1593 O HOH 53 11.224 6.437 7.093 1.00 41.56 O HETATM 1594 O HOH 54 -12.616 -0.950 -3.207 1.00 16.77 O HETATM 1595 O HOH 55 -22.758 -10.171 0.332 1.00 12.19 O HETATM 1596 O HOH 56 -6.755 2.113 27.633 1.00 17.67 O HETATM 1597 O HOH 57 -10.194 -8.318 29.567 1.00 21.80 O HETATM 1598 O HOH 58 -15.483 2.205 32.546 1.00 27.21 O HETATM 1599 O HOH 59 -8.735 -11.665 15.089 1.00 13.76 O HETATM 1600 O HOH 60 -4.452 -3.822 -3.333 1.00 23.64 O HETATM 1601 O HOH 61 -7.747 10.332 2.755 1.00 32.71 O HETATM 1602 O HOH 62 -11.836 11.562 3.417 1.00 12.67 O HETATM 1603 O HOH 63 -8.839 -15.957 -8.688 1.00 25.68 O HETATM 1604 O HOH 64 9.137 17.866 7.368 1.00 33.85 O HETATM 1605 O HOH 65 10.201 -1.441 6.744 1.00 36.91 O HETATM 1606 O HOH 66 -20.561 5.589 -2.248 1.00 33.92 O HETATM 1607 O HOH 67 -0.086 9.174 21.677 1.00 33.26 O HETATM 1608 O HOH 68 -1.006 -9.210 -4.011 1.00 26.74 O HETATM 1609 O HOH 69 -0.922 -8.322 21.634 1.00 42.25 O HETATM 1610 O HOH 70 -15.305 -21.610 -1.662 1.00 31.13 O HETATM 1611 O HOH 71 -9.990 -18.220 1.681 1.00 21.06 O HETATM 1612 O HOH 72 -23.912 1.802 12.011 1.00 20.68 O HETATM 1613 O HOH 73 -17.544 9.075 14.183 1.00 52.60 O HETATM 1614 O HOH 74 -1.030 -10.013 18.581 1.00 25.70 O HETATM 1615 O HOH 75 -12.020 -10.284 26.809 1.00 19.69 O HETATM 1616 O HOH 76 -26.463 -2.592 7.346 1.00 36.03 O HETATM 1617 O HOH 77 -9.435 5.458 22.762 1.00 17.92 O HETATM 1618 O HOH 78 -23.759 -12.126 1.865 1.00 22.88 O HETATM 1619 O HOH 79 -1.014 -6.173 5.903 1.00 25.59 O HETATM 1620 O HOH 80 -13.672 -7.469 -7.341 1.00 22.08 O HETATM 1621 O HOH 81 8.784 0.730 12.777 1.00 45.74 O HETATM 1622 O HOH 82 -14.399 -24.147 0.101 1.00 23.62 O HETATM 1623 O HOH 83 -24.275 0.088 9.962 1.00 20.77 O HETATM 1624 O HOH 84 -25.142 -6.812 11.688 1.00 46.96 O HETATM 1625 O HOH 85 -11.117 -3.976 32.628 1.00 26.53 O HETATM 1626 O HOH 86 -16.909 6.286 -1.146 1.00 30.88 O HETATM 1627 O HOH 87 0.595 7.330 23.660 1.00 38.06 O HETATM 1628 O HOH 88 -24.449 6.761 6.872 1.00 16.83 O HETATM 1629 O HOH 89 -19.006 -4.261 -3.244 1.00 27.47 O HETATM 1630 O HOH 90 -4.508 -5.531 5.265 1.00 15.92 O HETATM 1631 O HOH 91 -21.651 -10.328 12.643 1.00 36.29 O HETATM 1632 O HOH 92 -1.613 -6.213 -1.784 1.00 31.65 O HETATM 1633 O HOH 93 -2.981 -8.877 4.927 1.00 28.04 O HETATM 1634 O HOH 94 -3.064 -6.518 -6.987 1.00 18.14 O HETATM 1635 O HOH 95 -23.054 -13.717 4.451 1.00 26.47 O HETATM 1636 O HOH 96 -5.603 14.441 12.828 1.00 22.19 O HETATM 1637 O HOH 97 -8.753 -18.498 -1.298 1.00 29.74 O HETATM 1638 O HOH 98 3.126 -0.195 3.738 1.00 28.71 O HETATM 1639 O HOH 99 -1.247 -3.605 20.608 1.00 24.21 O HETATM 1640 O HOH 100 -21.316 -4.635 26.858 1.00 31.50 O HETATM 1641 O HOH 101 -1.915 -11.323 -9.748 1.00 21.11 O HETATM 1642 O HOH 102 -10.942 -18.979 8.864 1.00 36.55 O HETATM 1643 O HOH 103 -28.308 -5.916 0.815 1.00 16.69 O HETATM 1644 O HOH 104 -2.629 -12.673 16.695 1.00 29.50 O HETATM 1645 O HOH 105 -11.258 -4.862 -4.658 1.00 18.13 O HETATM 1646 O HOH 106 -5.955 15.344 10.342 1.00 37.16 O HETATM 1647 O HOH 107 -8.177 3.052 2.860 1.00 25.54 O HETATM 1648 O HOH 108 -3.318 16.174 12.309 1.00 29.33 O HETATM 1649 O HOH 109 -1.891 -11.387 6.767 1.00 23.11 O HETATM 1650 O HOH 110 0.797 -1.613 3.218 1.00 31.10 O HETATM 1651 O HOH 111 -7.471 -1.176 5.101 1.00 40.96 O HETATM 1652 O HOH 112 -5.572 -13.140 14.129 1.00 41.93 O HETATM 1653 O HOH 113 6.511 -3.809 17.214 1.00 42.67 O HETATM 1654 O HOH 114 -11.519 -20.090 4.540 1.00 20.68 O HETATM 1655 O HOH 115 3.222 -7.362 14.022 1.00 16.11 O HETATM 1656 O HOH 116 -0.539 -10.024 -6.575 1.00 23.63 O HETATM 1657 O HOH 117 6.751 6.869 14.534 1.00 25.26 O HETATM 1658 O HOH 118 1.931 -1.101 17.476 1.00 16.20 O HETATM 1659 O HOH 119 -6.268 -12.006 23.793 1.00 27.95 O HETATM 1660 O HOH 120 -18.202 16.571 3.998 1.00 15.32 O HETATM 1661 O HOH 121 -0.776 19.068 6.479 1.00 31.59 O HETATM 1662 O HOH 122 1.739 16.665 13.312 1.00 43.64 O HETATM 1663 O HOH 123 -9.324 -10.175 25.750 1.00 20.09 O HETATM 1664 O HOH 124 -5.756 -4.367 -0.057 1.00 24.19 O HETATM 1665 O HOH 125 -7.658 -3.292 1.622 1.00 15.52 O HETATM 1666 O HOH 126 9.874 10.460 8.373 1.00 32.05 O HETATM 1667 O HOH 127 9.387 3.858 3.363 1.00 30.25 O HETATM 1668 O HOH 128 -8.965 0.593 -1.022 1.00 32.83 O HETATM 1669 O HOH 129 -17.581 -10.246 23.982 1.00 24.11 O HETATM 1670 O HOH 130 -10.384 -15.995 16.821 1.00 29.76 O HETATM 1671 O HOH 131 -17.137 -17.352 27.724 1.00 49.22 O HETATM 1672 O HOH 132 -1.965 2.128 19.960 1.00 20.30 O HETATM 1673 O HOH 133 -12.790 5.815 0.423 1.00 35.62 O HETATM 1674 O HOH 134 -0.982 8.844 -0.203 1.00 36.32 O HETATM 1675 O HOH 135 -4.762 2.306 19.751 1.00 20.64 O HETATM 1676 O HOH 136 -23.714 0.483 15.693 1.00 40.35 O HETATM 1677 O HOH 137 4.628 18.099 9.515 1.00 41.30 O HETATM 1678 O HOH 138 -8.176 -4.267 29.364 1.00 12.58 O HETATM 1679 O HOH 139 -17.593 -2.197 31.575 1.00 49.85 O HETATM 1680 O HOH 140 -4.107 -6.329 24.022 1.00 23.04 O HETATM 1681 O HOH 141 -16.514 -13.124 -8.044 1.00 53.10 O HETATM 1682 O HOH 142 -9.843 -14.190 14.103 1.00 28.04 O HETATM 1683 O HOH 143 -3.721 13.498 20.773 1.00 53.93 O HETATM 1684 O HOH 144 -8.526 -15.624 11.179 1.00 44.71 O HETATM 1685 O HOH 145 3.782 9.817 15.275 1.00 41.01 O HETATM 1686 O HOH 146 -6.809 -14.218 22.159 1.00 36.07 O HETATM 1687 O HOH 147 -20.661 -15.715 12.955 1.00 45.34 O HETATM 1688 O HOH 148 -7.707 -14.399 13.855 1.00 41.09 O HETATM 1689 O HOH 149 -6.313 2.944 0.351 1.00 37.00 O HETATM 1690 O HOH 150 -11.880 -12.276 28.679 1.00 37.79 O HETATM 1691 O HOH 151 -6.966 15.653 14.737 1.00 40.68 O HETATM 1692 O HOH 152 -0.433 -5.155 -4.052 1.00 36.69 O HETATM 1693 O HOH 153 -12.316 9.343 22.835 1.00 44.51 O HETATM 1694 O HOH 154 -2.476 -4.295 -5.311 1.00 23.49 O HETATM 1695 O HOH 155 -30.213 -7.657 0.151 1.00 32.63 O HETATM 1696 O HOH 156 -14.877 -5.051 -6.616 1.00 40.57 O HETATM 1697 O HOH 157 0.000 -7.587 0.000 1.00 66.91 O HETATM 1698 O HOH 158 -3.810 -12.326 -1.785 1.00 33.40 O HETATM 1699 O HOH 159 -11.088 -6.753 -6.710 1.00 22.30 O HETATM 1700 O HOH 160 1.119 -4.813 19.301 1.00 26.97 O HETATM 1701 O HOH 161 -9.271 -23.835 3.951 1.00 22.78 O HETATM 1702 O HOH 162 -12.125 -25.581 0.769 1.00 27.76 O HETATM 1703 O HOH 163 10.175 -2.984 8.869 1.00 35.96 O HETATM 1704 O HOH 164 1.182 -7.557 19.256 1.00 35.31 O HETATM 1705 O HOH 165 -1.593 -10.363 -14.290 1.00 27.61 O HETATM 1706 O HOH 166 -12.085 -2.377 -5.389 1.00 22.69 O HETATM 1707 O HOH 167 -8.172 -4.253 12.919 1.00 27.95 O HETATM 1708 O HOH 168 -6.756 -5.310 27.634 1.00 44.89 O HETATM 1709 O HOH 169 -0.314 11.974 2.479 1.00 38.87 O HETATM 1710 O HOH 170 -23.549 -10.508 11.243 1.00 38.58 O HETATM 1711 O HOH 171 -13.655 -15.833 13.764 1.00 33.13 O HETATM 1712 O HOH 172 1.128 19.120 11.729 1.00 46.84 O HETATM 1713 O HOH 173 -0.254 -13.092 8.755 1.00 34.16 O HETATM 1714 O HOH 174 -2.327 -12.464 -12.172 1.00 29.83 O HETATM 1715 O HOH 175 -11.055 9.458 35.252 1.00 19.99 O HETATM 1716 O HOH 176 -5.369 -12.190 -15.816 1.00 47.18 O HETATM 1717 C8 UNN A 177 -21.166 -12.400 17.376 1.00 0.03 C HETATM 1718 C7 UNN A 177 -20.695 -12.304 15.929 1.00 0.17 C HETATM 1719 O7 UNN A 177 -21.460 -12.572 15.017 1.00 -0.40 O HETATM 1720 N2 UNN A 177 -19.426 -12.003 15.775 1.00 -0.28 N HETATM 1721 C2 UNN A 177 -18.892 -11.879 14.459 1.00 0.12 C HETATM 1722 C3 UNN A 177 -18.455 -10.447 14.145 1.00 0.11 C HETATM 1723 O3 UNN A 177 -19.486 -9.486 14.262 1.00 -0.39 O HETATM 1724 H7 UNN A 177 -20.188 -9.702 13.660 1.00 0.21 H HETATM 1725 C4 UNN A 177 -17.299 -10.076 15.092 1.00 0.12 C HETATM 1726 O4 UNN A 177 -16.736 -8.806 14.719 1.00 -0.34 O HETATM 1727 CAB UNN A 177 -15.694 -8.371 15.610 1.00 0.22 C HETATM 1728 CAK UNN A 177 -15.128 -7.073 15.028 1.00 -0.00 C HETATM 1729 H9 UNN A 177 -14.323 -6.700 15.678 1.00 0.03 H HETATM 1730 H10 UNN A 177 -15.928 -6.320 14.965 1.00 0.03 H HETATM 1731 H11 UNN A 177 -14.726 -7.266 14.022 1.00 0.03 H HETATM 1732 CAL UNN A 177 -16.312 -8.096 17.029 1.00 0.10 C HETATM 1733 OAN UNN A 177 -17.400 -7.455 17.027 1.00 -0.54 O HETATM 1734 OAM UNN A 177 -15.643 -8.413 18.023 1.00 -0.54 O HETATM 1735 O6 UNN A 177 -14.690 -9.354 15.655 1.00 -0.34 O HETATM 1736 C6 UNN A 177 -15.054 -10.691 15.937 1.00 0.08 C HETATM 1737 C5 UNN A 177 -16.237 -11.071 14.979 1.00 0.11 C HETATM 1738 O5 UNN A 177 -16.671 -12.374 15.286 1.00 -0.34 O HETATM 1739 C1 UNN A 177 -17.663 -12.759 14.341 1.00 0.18 C HETATM 1740 O1 UNN A 177 -18.011 -14.069 14.552 1.00 -0.35 O HETATM 1741 CAU UNN A 177 -17.009 -15.029 14.269 1.00 0.04 C HETATM 1742 H16 UNN A 177 -17.399 -16.037 14.474 1.00 0.05 H HETATM 1743 H17 UNN A 177 -16.130 -14.840 14.903 1.00 0.05 H HETATM 1744 H18 UNN A 177 -16.720 -14.956 13.210 1.00 0.05 H HETATM 1745 H15 UNN A 177 -17.248 -12.655 13.328 1.00 0.09 H HETATM 1746 H14 UNN A 177 -15.872 -11.065 13.941 1.00 0.06 H HETATM 1747 H12 UNN A 177 -15.377 -10.779 16.985 1.00 0.06 H HETATM 1748 H13 UNN A 177 -14.198 -11.358 15.759 1.00 0.06 H HETATM 1749 H8 UNN A 177 -17.670 -10.034 16.127 1.00 0.06 H HETATM 1750 H6 UNN A 177 -18.089 -10.423 13.108 1.00 0.06 H HETATM 1751 H5 UNN A 177 -19.654 -12.196 13.731 1.00 0.06 H HETATM 1752 H4 UNN A 177 -18.840 -11.862 16.573 1.00 0.19 H HETATM 1753 H1 UNN A 177 -20.342 -12.122 18.049 1.00 0.05 H HETATM 1754 H2 UNN A 177 -21.483 -13.431 17.591 1.00 0.05 H HETATM 1755 H3 UNN A 177 -22.013 -11.716 17.532 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1717 1718 1753 1754 1755 CONECT 1718 1717 1719 1720 CONECT 1719 1718 CONECT 1720 1718 1721 1752 CONECT 1721 1720 1722 1739 1751 CONECT 1722 1721 1723 1725 1750 CONECT 1723 1722 1724 CONECT 1724 1723 CONECT 1725 1722 1726 1737 1749 CONECT 1726 1725 1727 CONECT 1727 1726 1728 1732 1735 CONECT 1728 1727 1729 1730 1731 CONECT 1729 1728 CONECT 1730 1728 CONECT 1731 1728 CONECT 1732 1727 1733 1734 CONECT 1733 1732 CONECT 1734 1732 CONECT 1735 1727 1736 CONECT 1736 1735 1737 1747 1748 CONECT 1737 1725 1736 1738 1746 CONECT 1738 1737 1739 CONECT 1739 1721 1738 1740 1745 CONECT 1740 1739 1741 CONECT 1741 1740 1742 1743 1744 CONECT 1742 1741 CONECT 1743 1741 CONECT 1744 1741 CONECT 1745 1739 CONECT 1746 1737 CONECT 1747 1736 CONECT 1748 1736 CONECT 1749 1725 CONECT 1750 1722 CONECT 1751 1721 CONECT 1752 1720 CONECT 1753 1717 CONECT 1754 1717 CONECT 1755 1717 MASTER 0 0 0 0 0 0 0 0 1754 1 43 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6cwn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6cwf
RCSB PDB
PDBbind
182aa, >6CWF_1|Chains... *
6cwh
RCSB PDB
PDBbind
182aa, >6CWH_1|Chains... at 100%
6cwi
RCSB PDB
PDBbind
182aa, >6CWI_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6cwf
RCSB PDB
PDBbind
6LA
6cwh
RCSB PDB
PDBbind
6LA
6cwi
RCSB PDB
PDBbind
6LA
Entry Information
PDB ID
6cwn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
SpaA-SLH/G109A
Ligand Name
6LA
EC.Number
E.C.-.-.-.-
Resolution
1.53(Å)
Affinity (Kd/Ki/IC50)
Kd=226nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 3120-3120
Ligand Properties
Formula
C
1
2
H
1
9
NO
8
Molecular Weight
305.281
Exact Mass
305.111
No. of atoms
40
No. of bonds
41
Polar Surface Area
123.55
LOGP Value
-0.96 (
Computed with XLOGP3
)
-1.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 2
Canonical SMILES
CO[C@@H]1O[C@@H]2CO[C@](O[C@H]2[C@@H]([C@@H]1NC(=O)C)O)(C)C(=O)O
InChI String
InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/m1/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):
C1JZ07
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓