Browse entries in the PDBbind-CN Database
HEADER 5TA2_COMPLEX COMPND 5TA2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 163 VAL ASN PRO THR VAL PHE PHE ASP ILE ALA VAL ASP GLY SEQRES 2 A 163 GLU PRO LEU GLY ARG VAL SER PHE GLU LEU PHE ALA ASP SEQRES 3 A 163 LYS VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU SER SEQRES 4 A 163 THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER CYS PHE SEQRES 5 A 163 HIS ARG ILE ILE PRO GLY PHE MET CYS GLN GLY GLY ASP SEQRES 6 A 163 PHE THR ARG HIS ASN GLY THR GLY GLY LYS SER ILE TYR SEQRES 7 A 163 GLY GLU LYS PHE GLU ASP GLU ASN PHE ILE LEU LYS HIS SEQRES 8 A 163 THR GLY PRO GLY ILE LEU SER MET ALA ASN ALA GLY PRO SEQRES 9 A 163 ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ALA LYS SEQRES 10 A 163 THR GLU TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY LYS SEQRES 11 A 163 VAL LYS GLU GLY MET ASN ILE VAL GLU ALA MET GLU ARG SEQRES 12 A 163 PHE GLY SER ARG ASN GLY LYS THR SER LYS LYS ILE THR SEQRES 13 A 163 ILE ALA ASP CYS GLY GLN LEU HET UNN A 391 96 ATOM 1 N VAL A 2 9.102 14.068 -6.652 1.00 39.88 N ATOM 2 CA VAL A 2 7.796 13.460 -6.436 1.00 32.74 C ATOM 3 C VAL A 2 7.821 12.552 -5.192 1.00 19.88 C ATOM 4 O VAL A 2 6.774 12.193 -4.656 1.00 26.70 O ATOM 5 CB VAL A 2 7.331 12.676 -7.702 1.00 23.88 C ATOM 6 CG1 VAL A 2 8.271 11.532 -8.009 1.00 18.50 C ATOM 7 CG2 VAL A 2 5.896 12.177 -7.560 1.00 44.71 C ATOM 8 HN3 VAL A 2 9.812 13.321 -6.793 1.00 0.00 H ATOM 9 HN2 VAL A 2 9.359 14.639 -5.822 1.00 0.00 H ATOM 10 HN1 VAL A 2 9.065 14.676 -7.495 1.00 0.00 H ATOM 11 N ASN A 3 9.018 12.207 -4.714 1.00 19.20 N ATOM 12 CA ASN A 3 9.134 11.449 -3.463 1.00 16.60 C ATOM 13 C ASN A 3 8.539 12.207 -2.283 1.00 14.48 C ATOM 14 O ASN A 3 8.862 13.378 -2.061 1.00 14.84 O ATOM 15 CB ASN A 3 10.593 11.108 -3.154 1.00 12.38 C ATOM 16 CG ASN A 3 11.115 9.949 -3.981 1.00 14.07 C ATOM 17 OD1 ASN A 3 10.339 9.194 -4.577 1.00 13.73 O ATOM 18 ND2 ASN A 3 12.436 9.789 -4.008 1.00 14.17 N ATOM 19 HD22 ASN A 3 13.051 10.450 -3.491 1.00 0.00 H ATOM 20 HD21 ASN A 3 12.854 9.003 -4.546 1.00 0.00 H ATOM 21 H ASN A 3 9.877 12.478 -5.233 1.00 0.00 H ATOM 22 N PRO A 4 7.663 11.543 -1.519 1.00 11.81 N ATOM 23 CA PRO A 4 7.030 12.211 -0.379 1.00 11.99 C ATOM 24 C PRO A 4 8.003 12.431 0.775 1.00 10.80 C ATOM 25 O PRO A 4 8.983 11.696 0.907 1.00 11.01 O ATOM 26 CB PRO A 4 5.908 11.245 0.018 1.00 14.97 C ATOM 27 CG PRO A 4 6.344 9.917 -0.484 1.00 18.28 C ATOM 28 CD PRO A 4 7.189 10.158 -1.700 1.00 11.74 C ATOM 29 N THR A 5 7.736 13.448 1.583 1.00 10.70 N ATOM 30 CA THR A 5 8.505 13.689 2.795 1.00 11.04 C ATOM 31 C THR A 5 7.569 13.647 3.993 1.00 10.62 C ATOM 32 O THR A 5 6.484 14.235 3.972 1.00 11.06 O ATOM 33 CB THR A 5 9.248 15.046 2.749 1.00 15.76 C ATOM 34 OG1 THR A 5 8.303 16.106 2.578 1.00 35.91 O ATOM 35 CG2 THR A 5 10.227 15.066 1.596 1.00 18.00 C ATOM 36 HG1 THR A 5 7.667 16.105 3.336 1.00 0.00 H ATOM 37 H THR A 5 6.955 14.092 1.344 1.00 0.00 H ATOM 38 N VAL A 6 7.971 12.926 5.032 1.00 9.18 N ATOM 39 CA VAL A 6 7.179 12.855 6.250 1.00 7.98 C ATOM 40 C VAL A 6 8.040 13.226 7.447 1.00 7.30 C ATOM 41 O VAL A 6 9.266 13.248 7.351 1.00 7.23 O ATOM 42 CB VAL A 6 6.554 11.453 6.454 1.00 8.64 C ATOM 43 CG1 VAL A 6 5.546 11.155 5.349 1.00 10.11 C ATOM 44 CG2 VAL A 6 7.628 10.385 6.515 1.00 8.68 C ATOM 45 H VAL A 6 8.868 12.403 4.974 1.00 0.00 H ATOM 46 N PHE A 7 7.395 13.535 8.565 1.00 7.98 N ATOM 47 CA PHE A 7 8.111 13.943 9.767 1.00 7.71 C ATOM 48 C PHE A 7 7.577 13.223 11.003 1.00 6.92 C ATOM 49 O PHE A 7 6.400 12.846 11.067 1.00 7.12 O ATOM 50 CB PHE A 7 8.018 15.466 9.968 1.00 8.66 C ATOM 51 CG PHE A 7 6.650 15.940 10.380 1.00 8.46 C ATOM 52 CD1 PHE A 7 5.701 16.261 9.423 1.00 9.29 C ATOM 53 CD2 PHE A 7 6.304 16.043 11.722 1.00 8.46 C ATOM 54 CE1 PHE A 7 4.434 16.688 9.795 1.00 9.99 C ATOM 55 CE2 PHE A 7 5.041 16.463 12.096 1.00 10.30 C ATOM 56 CZ PHE A 7 4.103 16.781 11.132 1.00 9.76 C ATOM 57 H PHE A 7 6.356 13.485 8.584 1.00 0.00 H ATOM 58 N PHE A 8 8.474 13.036 11.968 1.00 7.20 N ATOM 59 CA PHE A 8 8.156 12.600 13.322 1.00 6.82 C ATOM 60 C PHE A 8 8.571 13.707 14.277 1.00 7.11 C ATOM 61 O PHE A 8 9.728 14.148 14.227 1.00 8.26 O ATOM 62 CB PHE A 8 8.940 11.350 13.738 1.00 6.87 C ATOM 63 CG PHE A 8 8.549 10.069 13.056 1.00 6.56 C ATOM 64 CD1 PHE A 8 7.431 9.962 12.245 1.00 7.00 C ATOM 65 CD2 PHE A 8 9.340 8.946 13.251 1.00 7.13 C ATOM 66 CE1 PHE A 8 7.114 8.736 11.648 1.00 6.73 C ATOM 67 CE2 PHE A 8 9.028 7.743 12.663 1.00 6.95 C ATOM 68 CZ PHE A 8 7.922 7.636 11.862 1.00 7.36 C ATOM 69 H PHE A 8 9.473 13.214 11.740 1.00 0.00 H ATOM 70 N ASP A 9 7.682 14.118 15.174 1.00 6.90 N ATOM 71 CA ASP A 9 8.087 14.946 16.307 1.00 6.80 C ATOM 72 C ASP A 9 8.317 14.009 17.491 1.00 6.56 C ATOM 73 O ASP A 9 7.391 13.354 17.967 1.00 7.59 O ATOM 74 CB ASP A 9 7.032 16.014 16.631 1.00 7.87 C ATOM 75 CG ASP A 9 7.024 17.155 15.629 1.00 10.62 C ATOM 76 OD1 ASP A 9 8.107 17.512 15.121 1.00 11.21 O ATOM 77 OD2 ASP A 9 5.930 17.699 15.348 1.00 13.64 O ATOM 78 H ASP A 9 6.684 13.847 15.068 1.00 0.00 H ATOM 79 N ILE A 10 9.569 13.925 17.930 1.00 6.44 N ATOM 80 CA ILE A 10 9.994 12.974 18.953 1.00 7.17 C ATOM 81 C ILE A 10 9.926 13.602 20.337 1.00 6.84 C ATOM 82 O ILE A 10 10.314 14.761 20.510 1.00 7.77 O ATOM 83 CB ILE A 10 11.445 12.485 18.683 1.00 7.24 C ATOM 84 CG1 ILE A 10 11.562 11.890 17.277 1.00 8.09 C ATOM 85 CG2 ILE A 10 11.903 11.479 19.743 1.00 7.48 C ATOM 86 CD1 ILE A 10 10.725 10.650 17.073 1.00 8.58 C ATOM 87 H ILE A 10 10.280 14.567 17.525 1.00 0.00 H ATOM 88 N ALA A 11 9.453 12.839 21.319 1.00 6.46 N ATOM 89 CA ALA A 11 9.411 13.293 22.703 1.00 8.06 C ATOM 90 C ALA A 11 10.150 12.313 23.618 1.00 8.20 C ATOM 91 O ALA A 11 10.199 11.106 23.346 1.00 8.34 O ATOM 92 CB ALA A 11 7.964 13.467 23.162 1.00 8.08 C ATOM 93 H ALA A 11 9.102 11.887 21.091 1.00 0.00 H ATOM 94 N VAL A 12 10.724 12.841 24.697 1.00 8.68 N ATOM 95 CA VAL A 12 11.410 12.043 25.710 1.00 8.73 C ATOM 96 C VAL A 12 10.679 12.238 27.035 1.00 9.65 C ATOM 97 O VAL A 12 10.619 13.359 27.548 1.00 9.60 O ATOM 98 CB VAL A 12 12.890 12.451 25.850 1.00 8.65 C ATOM 99 CG1 VAL A 12 13.571 11.646 26.940 1.00 10.93 C ATOM 100 CG2 VAL A 12 13.616 12.273 24.527 1.00 9.89 C ATOM 101 H VAL A 12 10.682 13.872 24.825 1.00 0.00 H ATOM 102 N ASP A 13 10.107 11.161 27.570 1.00 10.89 N ATOM 103 CA ASP A 13 9.229 11.241 28.741 1.00 12.52 C ATOM 104 C ASP A 13 8.279 12.438 28.669 1.00 12.86 C ATOM 105 O ASP A 13 8.112 13.181 29.642 1.00 13.86 O ATOM 106 CB ASP A 13 10.050 11.296 30.032 1.00 15.32 C ATOM 107 CG ASP A 13 10.534 9.924 30.469 1.00 24.17 C ATOM 108 OD1 ASP A 13 10.135 8.925 29.837 1.00 18.70 O ATOM 109 OD2 ASP A 13 11.295 9.843 31.455 1.00 24.73 O ATOM 110 H ASP A 13 10.290 10.231 27.142 1.00 0.00 H ATOM 111 N GLY A 14 7.672 12.625 27.501 1.00 9.90 N ATOM 112 CA GLY A 14 6.633 13.620 27.323 1.00 9.95 C ATOM 113 C GLY A 14 7.094 15.044 27.071 1.00 10.42 C ATOM 114 O GLY A 14 6.268 15.947 26.998 1.00 13.78 O ATOM 115 H GLY A 14 7.952 12.039 26.689 1.00 0.00 H ATOM 116 N GLU A 15 8.398 15.256 26.944 1.00 9.05 N ATOM 117 CA GLU A 15 8.902 16.587 26.641 1.00 9.20 C ATOM 118 C GLU A 15 9.576 16.582 25.273 1.00 8.95 C ATOM 119 O GLU A 15 10.220 15.608 24.898 1.00 8.26 O ATOM 120 CB GLU A 15 9.868 17.063 27.728 1.00 9.84 C ATOM 121 CG GLU A 15 9.230 17.215 29.106 1.00 11.88 C ATOM 122 CD GLU A 15 8.230 18.365 29.192 1.00 13.32 C ATOM 123 OE1 GLU A 15 8.138 19.173 28.241 1.00 13.07 O ATOM 124 OE2 GLU A 15 7.519 18.454 30.219 1.00 15.50 O ATOM 125 H GLU A 15 9.064 14.466 27.062 1.00 0.00 H ATOM 126 N PRO A 16 9.430 17.674 24.514 1.00 7.65 N ATOM 127 CA PRO A 16 9.923 17.678 23.133 1.00 8.35 C ATOM 128 C PRO A 16 11.423 17.426 23.020 1.00 9.95 C ATOM 129 O PRO A 16 12.208 17.947 23.815 1.00 11.22 O ATOM 130 CB PRO A 16 9.591 19.096 22.637 1.00 10.08 C ATOM 131 CG PRO A 16 8.563 19.606 23.564 1.00 13.04 C ATOM 132 CD PRO A 16 8.820 18.964 24.888 1.00 10.11 C ATOM 133 N LEU A 17 11.809 16.619 22.040 1.00 7.35 N ATOM 134 CA LEU A 17 13.210 16.443 21.701 1.00 7.80 C ATOM 135 C LEU A 17 13.493 17.172 20.392 1.00 7.84 C ATOM 136 O LEU A 17 14.304 18.099 20.346 1.00 8.76 O ATOM 137 CB LEU A 17 13.560 14.956 21.598 1.00 8.46 C ATOM 138 CG LEU A 17 15.000 14.641 21.186 1.00 9.00 C ATOM 139 CD1 LEU A 17 15.991 15.281 22.150 1.00 12.22 C ATOM 140 CD2 LEU A 17 15.221 13.141 21.107 1.00 8.85 C ATOM 141 H LEU A 17 11.089 16.098 21.500 1.00 0.00 H ATOM 142 N GLY A 18 12.802 16.773 19.329 1.00 7.94 N ATOM 143 CA GLY A 18 12.977 17.424 18.049 1.00 7.92 C ATOM 144 C GLY A 18 12.288 16.697 16.923 1.00 7.26 C ATOM 145 O GLY A 18 11.645 15.669 17.142 1.00 7.94 O ATOM 146 H GLY A 18 12.129 15.985 19.418 1.00 0.00 H ATOM 147 N ARG A 19 12.428 17.233 15.715 1.00 6.70 N ATOM 148 CA ARG A 19 11.754 16.692 14.541 1.00 7.81 C ATOM 149 C ARG A 19 12.708 15.958 13.606 1.00 7.93 C ATOM 150 O ARG A 19 13.738 16.489 13.212 1.00 8.39 O ATOM 151 CB ARG A 19 11.038 17.809 13.768 1.00 9.32 C ATOM 152 CG ARG A 19 10.402 17.344 12.459 1.00 9.70 C ATOM 153 CD ARG A 19 9.539 18.442 11.828 1.00 10.61 C ATOM 154 NE ARG A 19 8.335 18.688 12.614 1.00 10.27 N ATOM 155 CZ ARG A 19 7.327 19.456 12.216 1.00 12.37 C ATOM 156 NH1 ARG A 19 7.383 20.061 11.036 1.00 14.73 N ATOM 157 NH2 ARG A 19 6.268 19.617 12.996 1.00 14.06 N ATOM 158 HE ARG A 19 8.261 18.233 13.546 1.00 0.00 H ATOM 159 HH12 ARG A 19 6.595 20.663 10.722 1.00 0.00 H ATOM 160 HH11 ARG A 19 8.215 19.933 10.425 1.00 0.00 H ATOM 161 HH22 ARG A 19 5.479 20.218 12.684 1.00 0.00 H ATOM 162 HH21 ARG A 19 6.226 19.142 13.920 1.00 0.00 H ATOM 163 H ARG A 19 13.039 18.067 15.603 1.00 0.00 H ATOM 164 N VAL A 20 12.355 14.725 13.262 1.00 7.80 N ATOM 165 CA VAL A 20 13.085 13.968 12.261 1.00 7.72 C ATOM 166 C VAL A 20 12.240 13.917 10.997 1.00 7.27 C ATOM 167 O VAL A 20 11.075 13.536 11.057 1.00 7.13 O ATOM 168 CB VAL A 20 13.400 12.538 12.746 1.00 7.58 C ATOM 169 CG1 VAL A 20 14.242 11.792 11.710 1.00 8.95 C ATOM 170 CG2 VAL A 20 14.126 12.577 14.082 1.00 10.42 C ATOM 171 H VAL A 20 11.531 14.289 13.723 1.00 0.00 H ATOM 172 N SER A 21 12.805 14.317 9.865 1.00 7.18 N ATOM 173 CA SER A 21 12.096 14.255 8.593 1.00 7.91 C ATOM 174 C SER A 21 12.750 13.229 7.676 1.00 7.49 C ATOM 175 O SER A 21 13.968 13.046 7.711 1.00 7.46 O ATOM 176 CB SER A 21 12.066 15.630 7.920 1.00 10.14 C ATOM 177 OG SER A 21 11.535 16.618 8.794 1.00 9.52 O ATOM 178 HG SER A 21 12.098 16.675 9.606 1.00 0.00 H ATOM 179 H SER A 21 13.778 14.684 9.886 1.00 0.00 H ATOM 180 N PHE A 22 11.936 12.574 6.854 1.00 6.78 N ATOM 181 CA PHE A 22 12.407 11.511 5.972 1.00 7.43 C ATOM 182 C PHE A 22 11.997 11.749 4.533 1.00 7.78 C ATOM 183 O PHE A 22 10.861 12.153 4.279 1.00 7.87 O ATOM 184 CB PHE A 22 11.825 10.154 6.376 1.00 7.16 C ATOM 185 CG PHE A 22 11.944 9.826 7.831 1.00 6.09 C ATOM 186 CD1 PHE A 22 13.049 9.144 8.305 1.00 6.49 C ATOM 187 CD2 PHE A 22 10.920 10.141 8.712 1.00 7.28 C ATOM 188 CE1 PHE A 22 13.147 8.812 9.643 1.00 7.15 C ATOM 189 CE2 PHE A 22 11.015 9.818 10.058 1.00 7.35 C ATOM 190 CZ PHE A 22 12.129 9.144 10.519 1.00 6.62 C ATOM 191 H PHE A 22 10.928 12.828 6.839 1.00 0.00 H ATOM 192 N GLU A 23 12.893 11.449 3.601 1.00 7.11 N ATOM 193 CA GLU A 23 12.496 11.254 2.213 1.00 8.59 C ATOM 194 C GLU A 23 12.115 9.789 2.029 1.00 8.07 C ATOM 195 O GLU A 23 12.854 8.900 2.437 1.00 7.74 O ATOM 196 CB GLU A 23 13.616 11.636 1.239 1.00 11.51 C ATOM 197 CG GLU A 23 13.257 11.324 -0.218 1.00 13.00 C ATOM 198 CD GLU A 23 14.309 11.767 -1.221 1.00 15.92 C ATOM 199 OE1 GLU A 23 15.376 12.259 -0.802 1.00 15.60 O ATOM 200 OE2 GLU A 23 14.058 11.622 -2.439 1.00 16.15 O ATOM 201 H GLU A 23 13.894 11.352 3.866 1.00 0.00 H ATOM 202 N LEU A 24 10.959 9.542 1.424 1.00 7.92 N ATOM 203 CA LEU A 24 10.531 8.177 1.127 1.00 7.48 C ATOM 204 C LEU A 24 10.747 7.875 -0.353 1.00 8.83 C ATOM 205 O LEU A 24 10.273 8.614 -1.216 1.00 8.42 O ATOM 206 CB LEU A 24 9.063 7.973 1.512 1.00 8.09 C ATOM 207 CG LEU A 24 8.680 8.383 2.933 1.00 6.36 C ATOM 208 CD1 LEU A 24 7.193 8.134 3.181 1.00 7.17 C ATOM 209 CD2 LEU A 24 9.536 7.639 3.964 1.00 6.66 C ATOM 210 H LEU A 24 10.345 10.337 1.156 1.00 0.00 H ATOM 211 N PHE A 25 11.466 6.798 -0.644 1.00 8.71 N ATOM 212 CA PHE A 25 11.882 6.517 -2.016 1.00 9.75 C ATOM 213 C PHE A 25 10.776 5.803 -2.787 1.00 11.87 C ATOM 214 O PHE A 25 10.920 4.647 -3.186 1.00 11.29 O ATOM 215 CB PHE A 25 13.172 5.691 -2.019 1.00 10.70 C ATOM 216 CG PHE A 25 14.328 6.365 -1.318 1.00 10.02 C ATOM 217 CD1 PHE A 25 14.591 7.708 -1.518 1.00 13.09 C ATOM 218 CD2 PHE A 25 15.151 5.649 -0.465 1.00 11.86 C ATOM 219 CE1 PHE A 25 15.657 8.324 -0.879 1.00 12.94 C ATOM 220 CE2 PHE A 25 16.211 6.255 0.171 1.00 10.99 C ATOM 221 CZ PHE A 25 16.464 7.595 -0.033 1.00 11.64 C ATOM 222 H PHE A 25 11.738 6.143 0.117 1.00 0.00 H ATOM 223 N ALA A 26 9.677 6.516 -3.003 1.00 10.83 N ATOM 224 CA ALA A 26 8.525 5.975 -3.721 1.00 10.70 C ATOM 225 C ALA A 26 8.874 5.614 -5.161 1.00 15.03 C ATOM 226 O ALA A 26 8.193 4.790 -5.782 1.00 14.81 O ATOM 227 CB ALA A 26 7.378 6.964 -3.691 1.00 13.44 C ATOM 228 H ALA A 26 9.635 7.493 -2.649 1.00 0.00 H ATOM 229 N ASP A 27 9.925 6.232 -5.691 1.00 14.01 N ATOM 230 CA ASP A 27 10.335 5.972 -7.066 1.00 17.49 C ATOM 231 C ASP A 27 10.907 4.565 -7.235 1.00 20.70 C ATOM 232 O ASP A 27 10.914 4.032 -8.342 1.00 23.27 O ATOM 233 CB ASP A 27 11.352 7.021 -7.541 1.00 18.59 C ATOM 234 CG ASP A 27 12.640 7.011 -6.733 1.00 21.65 C ATOM 235 OD1 ASP A 27 12.586 6.841 -5.498 1.00 18.51 O ATOM 236 OD2 ASP A 27 13.719 7.180 -7.339 1.00 34.52 O ATOM 237 H ASP A 27 10.463 6.911 -5.116 1.00 0.00 H ATOM 238 N LYS A 28 11.374 3.958 -6.147 1.00 14.84 N ATOM 239 CA LYS A 28 11.912 2.599 -6.227 1.00 13.29 C ATOM 240 C LYS A 28 11.116 1.567 -5.427 1.00 13.08 C ATOM 241 O LYS A 28 11.087 0.395 -5.789 1.00 12.47 O ATOM 242 CB LYS A 28 13.370 2.581 -5.778 1.00 17.62 C ATOM 243 CG LYS A 28 14.283 3.366 -6.709 1.00 28.41 C ATOM 244 CD LYS A 28 15.733 3.290 -6.281 1.00 34.76 C ATOM 245 CE LYS A 28 16.613 4.104 -7.218 1.00 38.92 C ATOM 246 NZ LYS A 28 16.449 3.670 -8.632 1.00 41.19 N ATOM 247 HZ1 LYS A 28 16.713 2.668 -8.719 1.00 0.00 H ATOM 248 HZ2 LYS A 28 15.457 3.795 -8.919 1.00 0.00 H ATOM 249 HZ3 LYS A 28 17.063 4.245 -9.243 1.00 0.00 H ATOM 250 H LYS A 28 11.357 4.453 -5.233 1.00 0.00 H ATOM 251 N VAL A 29 10.486 1.996 -4.337 1.00 12.48 N ATOM 252 CA VAL A 29 9.634 1.099 -3.554 1.00 10.33 C ATOM 253 C VAL A 29 8.312 1.796 -3.210 1.00 10.44 C ATOM 254 O VAL A 29 8.060 2.152 -2.056 1.00 9.41 O ATOM 255 CB VAL A 29 10.340 0.626 -2.263 1.00 10.75 C ATOM 256 CG1 VAL A 29 11.268 -0.541 -2.549 1.00 13.08 C ATOM 257 CG2 VAL A 29 11.104 1.776 -1.634 1.00 12.84 C ATOM 258 H VAL A 29 10.600 2.985 -4.036 1.00 0.00 H ATOM 259 N PRO A 30 7.453 1.993 -4.222 1.00 10.18 N ATOM 260 CA PRO A 30 6.209 2.747 -4.024 1.00 10.62 C ATOM 261 C PRO A 30 5.263 2.139 -2.985 1.00 8.90 C ATOM 262 O PRO A 30 4.655 2.889 -2.222 1.00 9.50 O ATOM 263 CB PRO A 30 5.562 2.730 -5.419 1.00 12.19 C ATOM 264 CG PRO A 30 6.200 1.590 -6.135 1.00 12.06 C ATOM 265 CD PRO A 30 7.601 1.528 -5.612 1.00 11.14 C ATOM 266 N LYS A 31 5.133 0.818 -2.945 1.00 9.68 N ATOM 267 CA LYS A 31 4.180 0.209 -2.023 1.00 9.70 C ATOM 268 C LYS A 31 4.636 0.373 -0.577 1.00 8.34 C ATOM 269 O LYS A 31 3.844 0.658 0.317 1.00 7.45 O ATOM 270 CB LYS A 31 3.985 -1.270 -2.348 1.00 10.56 C ATOM 271 CG LYS A 31 2.896 -1.932 -1.527 1.00 16.40 C ATOM 272 CD LYS A 31 2.609 -3.352 -1.992 1.00 19.15 C ATOM 273 CE LYS A 31 1.447 -3.947 -1.204 1.00 17.93 C ATOM 274 NZ LYS A 31 1.033 -5.285 -1.720 1.00 29.51 N ATOM 275 HZ1 LYS A 31 0.735 -5.196 -2.713 1.00 0.00 H ATOM 276 HZ2 LYS A 31 1.835 -5.944 -1.655 1.00 0.00 H ATOM 277 HZ3 LYS A 31 0.241 -5.645 -1.150 1.00 0.00 H ATOM 278 H LYS A 31 5.709 0.219 -3.570 1.00 0.00 H ATOM 279 N THR A 32 5.932 0.199 -0.363 1.00 8.72 N ATOM 280 CA THR A 32 6.512 0.324 0.961 1.00 7.62 C ATOM 281 C THR A 32 6.525 1.794 1.407 1.00 7.47 C ATOM 282 O THR A 32 6.207 2.110 2.557 1.00 7.55 O ATOM 283 CB THR A 32 7.929 -0.280 0.972 1.00 7.14 C ATOM 284 OG1 THR A 32 7.862 -1.629 0.483 1.00 8.50 O ATOM 285 CG2 THR A 32 8.510 -0.285 2.371 1.00 6.97 C ATOM 286 HG1 THR A 32 7.505 -1.627 -0.440 1.00 0.00 H ATOM 287 H THR A 32 6.550 -0.034 -1.166 1.00 0.00 H ATOM 288 N ALA A 33 6.874 2.691 0.490 1.00 7.76 N ATOM 289 CA ALA A 33 6.838 4.121 0.785 1.00 7.81 C ATOM 290 C ALA A 33 5.425 4.565 1.164 1.00 7.47 C ATOM 291 O ALA A 33 5.240 5.306 2.125 1.00 7.88 O ATOM 292 CB ALA A 33 7.346 4.927 -0.405 1.00 9.62 C ATOM 293 H ALA A 33 7.177 2.370 -0.452 1.00 0.00 H ATOM 294 N GLU A 34 4.428 4.085 0.422 1.00 7.36 N ATOM 295 CA GLU A 34 3.053 4.517 0.658 1.00 7.54 C ATOM 296 C GLU A 34 2.537 4.050 2.017 1.00 6.99 C ATOM 297 O GLU A 34 1.817 4.777 2.701 1.00 6.64 O ATOM 298 CB GLU A 34 2.129 4.020 -0.465 1.00 8.99 C ATOM 299 CG GLU A 34 0.638 4.210 -0.194 1.00 9.45 C ATOM 300 CD GLU A 34 0.217 5.677 -0.106 1.00 9.77 C ATOM 301 OE1 GLU A 34 0.997 6.566 -0.518 1.00 10.86 O ATOM 302 OE2 GLU A 34 -0.899 5.936 0.385 1.00 12.22 O ATOM 303 H GLU A 34 4.630 3.397 -0.331 1.00 0.00 H ATOM 304 N ASN A 35 2.912 2.836 2.407 1.00 6.29 N ATOM 305 CA ASN A 35 2.553 2.322 3.723 1.00 7.02 C ATOM 306 C ASN A 35 3.055 3.255 4.836 1.00 6.59 C ATOM 307 O ASN A 35 2.291 3.679 5.705 1.00 6.30 O ATOM 308 CB ASN A 35 3.112 0.902 3.889 1.00 7.10 C ATOM 309 CG ASN A 35 2.803 0.297 5.239 1.00 6.77 C ATOM 310 OD1 ASN A 35 1.639 0.102 5.589 1.00 7.42 O ATOM 311 ND2 ASN A 35 3.850 -0.069 5.981 1.00 7.18 N ATOM 312 HD22 ASN A 35 4.816 0.117 5.644 1.00 0.00 H ATOM 313 HD21 ASN A 35 3.700 -0.540 6.896 1.00 0.00 H ATOM 314 H ASN A 35 3.471 2.242 1.762 1.00 0.00 H ATOM 315 N PHE A 36 4.340 3.591 4.791 1.00 6.37 N ATOM 316 CA PHE A 36 4.931 4.470 5.805 1.00 6.05 C ATOM 317 C PHE A 36 4.307 5.872 5.781 1.00 6.47 C ATOM 318 O PHE A 36 4.050 6.473 6.827 1.00 6.84 O ATOM 319 CB PHE A 36 6.447 4.556 5.593 1.00 6.13 C ATOM 320 CG PHE A 36 7.203 5.177 6.741 1.00 5.29 C ATOM 321 CD1 PHE A 36 7.664 4.391 7.790 1.00 6.33 C ATOM 322 CD2 PHE A 36 7.486 6.531 6.752 1.00 6.61 C ATOM 323 CE1 PHE A 36 8.370 4.952 8.839 1.00 7.04 C ATOM 324 CE2 PHE A 36 8.205 7.096 7.798 1.00 6.28 C ATOM 325 CZ PHE A 36 8.648 6.301 8.838 1.00 7.21 C ATOM 326 H PHE A 36 4.937 3.224 4.023 1.00 0.00 H ATOM 327 N ARG A 37 4.068 6.385 4.577 1.00 6.23 N ATOM 328 CA ARG A 37 3.449 7.698 4.418 1.00 7.32 C ATOM 329 C ARG A 37 2.068 7.749 5.067 1.00 7.69 C ATOM 330 O ARG A 37 1.778 8.646 5.855 1.00 6.69 O ATOM 331 CB ARG A 37 3.331 8.074 2.932 1.00 8.00 C ATOM 332 CG ARG A 37 2.889 9.526 2.695 1.00 9.44 C ATOM 333 CD ARG A 37 2.202 9.731 1.343 1.00 7.95 C ATOM 334 NE ARG A 37 0.990 8.922 1.243 1.00 9.42 N ATOM 335 CZ ARG A 37 -0.181 9.262 1.772 1.00 10.34 C ATOM 336 NH1 ARG A 37 -0.322 10.405 2.427 1.00 11.16 N ATOM 337 NH2 ARG A 37 -1.218 8.449 1.647 1.00 10.76 N ATOM 338 HE ARG A 37 1.047 8.022 0.725 1.00 0.00 H ATOM 339 HH12 ARG A 37 -1.244 10.660 2.836 1.00 0.00 H ATOM 340 HH11 ARG A 37 0.489 11.048 2.532 1.00 0.00 H ATOM 341 HH22 ARG A 37 -2.136 8.710 2.059 1.00 0.00 H ATOM 342 HH21 ARG A 37 -1.114 7.549 1.137 1.00 0.00 H ATOM 343 H ARG A 37 4.328 5.839 3.731 1.00 0.00 H ATOM 344 N ALA A 38 1.223 6.777 4.736 1.00 6.74 N ATOM 345 CA ALA A 38 -0.131 6.743 5.271 1.00 7.18 C ATOM 346 C ALA A 38 -0.158 6.500 6.777 1.00 6.46 C ATOM 347 O ALA A 38 -0.993 7.063 7.483 1.00 6.74 O ATOM 348 CB ALA A 38 -0.946 5.688 4.544 1.00 7.51 C ATOM 349 H ALA A 38 1.534 6.029 4.084 1.00 0.00 H ATOM 350 N LEU A 39 0.755 5.674 7.282 1.00 6.51 N ATOM 351 CA LEU A 39 0.817 5.452 8.726 1.00 5.87 C ATOM 352 C LEU A 39 1.296 6.703 9.465 1.00 6.53 C ATOM 353 O LEU A 39 0.959 6.908 10.639 1.00 7.26 O ATOM 354 CB LEU A 39 1.715 4.261 9.054 1.00 6.22 C ATOM 355 CG LEU A 39 1.167 2.904 8.599 1.00 5.82 C ATOM 356 CD1 LEU A 39 2.231 1.824 8.751 1.00 6.34 C ATOM 357 CD2 LEU A 39 -0.102 2.529 9.377 1.00 7.28 C ATOM 358 H LEU A 39 1.423 5.187 6.651 1.00 0.00 H ATOM 359 N SER A 40 2.054 7.547 8.765 1.00 6.29 N ATOM 360 CA SER A 40 2.530 8.808 9.333 1.00 6.65 C ATOM 361 C SER A 40 1.430 9.870 9.384 1.00 7.67 C ATOM 362 O SER A 40 1.369 10.646 10.335 1.00 9.12 O ATOM 363 CB SER A 40 3.732 9.331 8.542 1.00 7.23 C ATOM 364 OG SER A 40 4.858 8.482 8.716 1.00 7.53 O ATOM 365 HG SER A 40 4.636 7.572 8.396 1.00 0.00 H ATOM 366 H SER A 40 2.314 7.302 7.788 1.00 0.00 H ATOM 367 N THR A 41 0.559 9.907 8.377 1.00 7.79 N ATOM 368 CA THR A 41 -0.546 10.871 8.390 1.00 8.49 C ATOM 369 C THR A 41 -1.695 10.403 9.268 1.00 8.23 C ATOM 370 O THR A 41 -2.505 11.209 9.718 1.00 9.90 O ATOM 371 CB THR A 41 -1.116 11.139 6.981 1.00 8.68 C ATOM 372 OG1 THR A 41 -1.679 9.930 6.448 1.00 9.77 O ATOM 373 CG2 THR A 41 -0.039 11.674 6.043 1.00 9.09 C ATOM 374 HG1 THR A 41 -2.043 10.107 5.545 1.00 0.00 H ATOM 375 H THR A 41 0.663 9.249 7.578 1.00 0.00 H ATOM 376 N GLY A 42 -1.776 9.092 9.491 1.00 7.76 N ATOM 377 CA GLY A 42 -2.869 8.516 10.256 1.00 9.25 C ATOM 378 C GLY A 42 -4.177 8.456 9.487 1.00 9.04 C ATOM 379 O GLY A 42 -5.232 8.246 10.083 1.00 9.71 O ATOM 380 H GLY A 42 -1.039 8.466 9.108 1.00 0.00 H ATOM 381 N GLU A 43 -4.115 8.621 8.169 1.00 9.06 N ATOM 382 CA GLU A 43 -5.342 8.738 7.376 1.00 9.51 C ATOM 383 C GLU A 43 -6.187 7.462 7.313 1.00 10.52 C ATOM 384 O GLU A 43 -7.361 7.532 6.952 1.00 10.54 O ATOM 385 CB GLU A 43 -5.017 9.212 5.956 1.00 11.95 C ATOM 386 CG GLU A 43 -4.130 8.289 5.144 1.00 12.21 C ATOM 387 CD GLU A 43 -3.557 8.995 3.922 1.00 14.23 C ATOM 388 OE1 GLU A 43 -2.814 9.995 4.095 1.00 14.69 O ATOM 389 OE2 GLU A 43 -3.863 8.570 2.788 1.00 14.03 O ATOM 390 H GLU A 43 -3.189 8.667 7.697 1.00 0.00 H ATOM 391 N LYS A 44 -5.620 6.309 7.670 1.00 8.55 N ATOM 392 CA LYS A 44 -6.414 5.072 7.722 1.00 8.86 C ATOM 393 C LYS A 44 -7.100 4.880 9.076 1.00 9.68 C ATOM 394 O LYS A 44 -7.821 3.906 9.272 1.00 9.12 O ATOM 395 CB LYS A 44 -5.549 3.840 7.421 1.00 8.22 C ATOM 396 CG LYS A 44 -4.781 3.901 6.118 1.00 10.25 C ATOM 397 CD LYS A 44 -5.679 4.056 4.901 1.00 12.16 C ATOM 398 CE LYS A 44 -4.814 4.110 3.637 1.00 20.64 C ATOM 399 NZ LYS A 44 -5.601 4.119 2.375 1.00 19.68 N ATOM 400 HZ1 LYS A 44 -6.177 3.255 2.321 1.00 0.00 H ATOM 401 HZ2 LYS A 44 -6.223 4.952 2.362 1.00 0.00 H ATOM 402 HZ3 LYS A 44 -4.952 4.156 1.563 1.00 0.00 H ATOM 403 H LYS A 44 -4.609 6.284 7.913 1.00 0.00 H ATOM 404 N GLY A 45 -6.878 5.802 10.010 1.00 7.63 N ATOM 405 CA GLY A 45 -7.460 5.688 11.338 1.00 9.30 C ATOM 406 C GLY A 45 -6.585 4.996 12.367 1.00 10.11 C ATOM 407 O GLY A 45 -7.023 4.719 13.484 1.00 11.68 O ATOM 408 H GLY A 45 -6.276 6.620 9.786 1.00 0.00 H ATOM 409 N PHE A 46 -5.345 4.707 11.982 1.00 8.09 N ATOM 410 CA PHE A 46 -4.341 4.146 12.876 1.00 8.30 C ATOM 411 C PHE A 46 -2.985 4.534 12.313 1.00 9.06 C ATOM 412 O PHE A 46 -2.888 4.980 11.171 1.00 7.86 O ATOM 413 CB PHE A 46 -4.462 2.620 12.994 1.00 9.00 C ATOM 414 CG PHE A 46 -4.579 1.911 11.667 1.00 7.68 C ATOM 415 CD1 PHE A 46 -5.815 1.472 11.212 1.00 7.66 C ATOM 416 CD2 PHE A 46 -3.463 1.680 10.873 1.00 7.68 C ATOM 417 CE1 PHE A 46 -5.937 0.821 9.996 1.00 7.25 C ATOM 418 CE2 PHE A 46 -3.584 1.035 9.652 1.00 7.67 C ATOM 419 CZ PHE A 46 -4.828 0.595 9.214 1.00 7.25 C ATOM 420 H PHE A 46 -5.079 4.891 10.994 1.00 0.00 H ATOM 421 N GLY A 47 -1.937 4.358 13.100 1.00 7.85 N ATOM 422 CA GLY A 47 -0.620 4.715 12.620 1.00 9.23 C ATOM 423 C GLY A 47 0.345 5.062 13.724 1.00 7.41 C ATOM 424 O GLY A 47 0.140 4.696 14.888 1.00 7.69 O ATOM 425 H GLY A 47 -2.059 3.966 14.056 1.00 0.00 H ATOM 426 N TYR A 48 1.392 5.791 13.349 1.00 6.37 N ATOM 427 CA TYR A 48 2.554 5.964 14.221 1.00 6.64 C ATOM 428 C TYR A 48 2.363 6.936 15.380 1.00 6.34 C ATOM 429 O TYR A 48 3.084 6.847 16.365 1.00 7.24 O ATOM 430 CB TYR A 48 3.764 6.412 13.396 1.00 6.28 C ATOM 431 CG TYR A 48 4.262 5.378 12.412 1.00 5.45 C ATOM 432 CD1 TYR A 48 4.395 4.038 12.777 1.00 6.76 C ATOM 433 CD2 TYR A 48 4.576 5.736 11.109 1.00 5.78 C ATOM 434 CE1 TYR A 48 4.849 3.088 11.864 1.00 6.27 C ATOM 435 CE2 TYR A 48 5.032 4.804 10.197 1.00 5.94 C ATOM 436 CZ TYR A 48 5.163 3.481 10.573 1.00 5.84 C ATOM 437 OH TYR A 48 5.610 2.567 9.652 1.00 5.52 O ATOM 438 HH TYR A 48 5.649 1.671 10.071 1.00 0.00 H ATOM 439 H TYR A 48 1.385 6.248 12.415 1.00 0.00 H ATOM 440 N LYS A 49 1.405 7.858 15.276 1.00 7.26 N ATOM 441 CA LYS A 49 1.247 8.864 16.324 1.00 8.15 C ATOM 442 C LYS A 49 1.020 8.218 17.685 1.00 9.60 C ATOM 443 O LYS A 49 0.143 7.367 17.838 1.00 10.01 O ATOM 444 CB LYS A 49 0.091 9.820 16.010 1.00 9.43 C ATOM 445 CG LYS A 49 -0.026 10.943 17.035 1.00 14.04 C ATOM 446 CD LYS A 49 -1.297 11.756 16.858 1.00 23.34 C ATOM 447 CE LYS A 49 -1.214 13.055 17.647 1.00 22.89 C ATOM 448 NZ LYS A 49 -2.307 14.005 17.294 1.00 36.40 N ATOM 449 HZ1 LYS A 49 -2.248 14.239 16.282 1.00 0.00 H ATOM 450 HZ2 LYS A 49 -3.227 13.564 17.496 1.00 0.00 H ATOM 451 HZ3 LYS A 49 -2.206 14.873 17.858 1.00 0.00 H ATOM 452 H LYS A 49 0.772 7.861 14.451 1.00 0.00 H ATOM 453 N GLY A 50 1.833 8.606 18.663 1.00 9.29 N ATOM 454 CA GLY A 50 1.691 8.102 20.017 1.00 9.16 C ATOM 455 C GLY A 50 2.486 6.839 20.309 1.00 9.80 C ATOM 456 O GLY A 50 2.611 6.448 21.472 1.00 12.79 O ATOM 457 H GLY A 50 2.590 9.288 18.453 1.00 0.00 H ATOM 458 N SER A 51 3.034 6.204 19.272 1.00 8.91 N ATOM 459 CA SER A 51 3.812 4.971 19.455 1.00 9.14 C ATOM 460 C SER A 51 5.241 5.276 19.904 1.00 8.55 C ATOM 461 O SER A 51 5.679 6.427 19.866 1.00 8.58 O ATOM 462 CB SER A 51 3.815 4.128 18.168 1.00 9.51 C ATOM 463 OG SER A 51 4.546 4.735 17.115 1.00 8.25 O ATOM 464 HG SER A 51 4.145 5.614 16.900 1.00 0.00 H ATOM 465 H SER A 51 2.908 6.589 18.314 1.00 0.00 H ATOM 466 N CYS A 52 5.963 4.254 20.347 1.00 8.05 N ATOM 467 CA CYS A 52 7.299 4.511 20.861 1.00 9.75 C ATOM 468 C CYS A 52 8.385 3.811 20.062 1.00 8.69 C ATOM 469 O CYS A 52 8.113 2.953 19.218 1.00 9.90 O ATOM 470 CB CYS A 52 7.401 4.101 22.333 1.00 12.84 C ATOM 471 SG CYS A 52 7.537 2.328 22.626 1.00 13.96 S ATOM 472 H CYS A 52 5.580 3.287 20.327 1.00 0.00 H ATOM 473 N PHE A 53 9.619 4.235 20.310 1.00 7.14 N ATOM 474 CA PHE A 53 10.790 3.533 19.819 1.00 7.45 C ATOM 475 C PHE A 53 11.144 2.549 20.920 1.00 8.99 C ATOM 476 O PHE A 53 11.620 2.952 21.985 1.00 10.75 O ATOM 477 CB PHE A 53 11.946 4.494 19.523 1.00 7.57 C ATOM 478 CG PHE A 53 11.820 5.186 18.198 1.00 6.90 C ATOM 479 CD1 PHE A 53 10.990 6.288 18.046 1.00 7.70 C ATOM 480 CD2 PHE A 53 12.507 4.717 17.091 1.00 7.38 C ATOM 481 CE1 PHE A 53 10.864 6.911 16.815 1.00 7.65 C ATOM 482 CE2 PHE A 53 12.384 5.337 15.866 1.00 7.28 C ATOM 483 CZ PHE A 53 11.555 6.431 15.727 1.00 7.77 C ATOM 484 H PHE A 53 9.750 5.098 20.875 1.00 0.00 H ATOM 485 N HIS A 54 10.885 1.269 20.680 1.00 6.89 N ATOM 486 CA HIS A 54 11.024 0.273 21.738 1.00 8.81 C ATOM 487 C HIS A 54 12.407 -0.356 21.807 1.00 8.69 C ATOM 488 O HIS A 54 12.738 -1.015 22.795 1.00 10.01 O ATOM 489 CB HIS A 54 9.968 -0.827 21.580 1.00 9.59 C ATOM 490 CG HIS A 54 10.112 -1.647 20.338 1.00 9.04 C ATOM 491 ND1 HIS A 54 9.588 -1.262 19.122 1.00 9.14 N ATOM 492 CD2 HIS A 54 10.691 -2.855 20.132 1.00 9.08 C ATOM 493 CE1 HIS A 54 9.846 -2.194 18.220 1.00 9.88 C ATOM 494 NE2 HIS A 54 10.511 -3.170 18.807 1.00 11.28 N ATOM 495 H HIS A 54 10.581 0.974 19.730 1.00 0.00 H ATOM 496 N ARG A 55 13.215 -0.166 20.771 1.00 6.42 N ATOM 497 CA ARG A 55 14.559 -0.723 20.775 1.00 6.39 C ATOM 498 C ARG A 55 15.525 0.295 20.188 1.00 6.68 C ATOM 499 O ARG A 55 15.438 0.636 19.014 1.00 7.53 O ATOM 500 CB ARG A 55 14.610 -2.040 19.985 1.00 8.04 C ATOM 501 CG ARG A 55 15.911 -2.827 20.156 1.00 7.68 C ATOM 502 CD ARG A 55 15.864 -4.186 19.459 1.00 9.15 C ATOM 503 NE ARG A 55 14.891 -5.091 20.074 1.00 8.66 N ATOM 504 CZ ARG A 55 13.897 -5.685 19.425 1.00 10.82 C ATOM 505 NH1 ARG A 55 13.737 -5.502 18.121 1.00 11.38 N ATOM 506 NH2 ARG A 55 13.070 -6.482 20.082 1.00 13.93 N ATOM 507 HE ARG A 55 14.985 -5.282 21.092 1.00 0.00 H ATOM 508 HH12 ARG A 55 12.955 -5.972 17.622 1.00 0.00 H ATOM 509 HH11 ARG A 55 14.394 -4.888 17.598 1.00 0.00 H ATOM 510 HH22 ARG A 55 12.289 -6.950 19.579 1.00 0.00 H ATOM 511 HH21 ARG A 55 13.201 -6.640 21.102 1.00 0.00 H ATOM 512 H ARG A 55 12.885 0.384 19.952 1.00 0.00 H ATOM 513 N ILE A 56 16.429 0.796 21.020 1.00 6.30 N ATOM 514 CA ILE A 56 17.445 1.744 20.571 1.00 7.22 C ATOM 515 C ILE A 56 18.818 1.223 20.963 1.00 6.27 C ATOM 516 O ILE A 56 19.121 1.089 22.146 1.00 6.98 O ATOM 517 CB ILE A 56 17.223 3.151 21.167 1.00 7.14 C ATOM 518 CG1 ILE A 56 15.868 3.722 20.714 1.00 6.71 C ATOM 519 CG2 ILE A 56 18.369 4.088 20.785 1.00 7.45 C ATOM 520 CD1 ILE A 56 15.570 5.102 21.292 1.00 7.17 C ATOM 521 H ILE A 56 16.414 0.506 22.019 1.00 0.00 H ATOM 522 N ILE A 57 19.622 0.890 19.962 1.00 6.11 N ATOM 523 CA ILE A 57 20.955 0.346 20.189 1.00 7.11 C ATOM 524 C ILE A 57 21.980 1.326 19.632 1.00 7.75 C ATOM 525 O ILE A 57 22.119 1.460 18.416 1.00 6.80 O ATOM 526 CB ILE A 57 21.110 -1.046 19.539 1.00 6.73 C ATOM 527 CG1 ILE A 57 20.077 -2.013 20.132 1.00 8.00 C ATOM 528 CG2 ILE A 57 22.523 -1.567 19.739 1.00 7.08 C ATOM 529 CD1 ILE A 57 19.971 -3.350 19.400 1.00 8.05 C ATOM 530 H ILE A 57 19.291 1.021 18.985 1.00 0.00 H ATOM 531 N PRO A 58 22.678 2.044 20.527 1.00 7.80 N ATOM 532 CA PRO A 58 23.649 3.057 20.098 1.00 9.82 C ATOM 533 C PRO A 58 24.678 2.469 19.144 1.00 8.60 C ATOM 534 O PRO A 58 25.184 1.364 19.382 1.00 9.00 O ATOM 535 CB PRO A 58 24.296 3.508 21.415 1.00 10.07 C ATOM 536 CG PRO A 58 23.234 3.237 22.449 1.00 9.41 C ATOM 537 CD PRO A 58 22.566 1.966 21.995 1.00 9.30 C ATOM 538 N GLY A 59 24.958 3.185 18.061 1.00 8.72 N ATOM 539 CA GLY A 59 25.907 2.721 17.066 1.00 9.40 C ATOM 540 C GLY A 59 25.323 1.763 16.046 1.00 8.57 C ATOM 541 O GLY A 59 26.016 1.328 15.128 1.00 8.82 O ATOM 542 H GLY A 59 24.485 4.101 17.923 1.00 0.00 H ATOM 543 N PHE A 60 24.042 1.441 16.191 1.00 7.29 N ATOM 544 CA PHE A 60 23.386 0.488 15.298 1.00 7.78 C ATOM 545 C PHE A 60 22.127 1.103 14.672 1.00 7.74 C ATOM 546 O PHE A 60 22.139 1.520 13.508 1.00 7.09 O ATOM 547 CB PHE A 60 23.053 -0.794 16.080 1.00 8.04 C ATOM 548 CG PHE A 60 22.471 -1.929 15.246 1.00 6.58 C ATOM 549 CD1 PHE A 60 22.648 -1.994 13.878 1.00 8.71 C ATOM 550 CD2 PHE A 60 21.737 -2.926 15.863 1.00 7.45 C ATOM 551 CE1 PHE A 60 22.123 -3.063 13.134 1.00 9.40 C ATOM 552 CE2 PHE A 60 21.177 -3.981 15.131 1.00 7.29 C ATOM 553 CZ PHE A 60 21.376 -4.039 13.765 1.00 8.34 C ATOM 554 H PHE A 60 23.493 1.878 16.959 1.00 0.00 H ATOM 555 N MET A 61 21.050 1.131 15.443 1.00 7.16 N ATOM 556 CA MET A 61 19.778 1.598 14.909 1.00 7.28 C ATOM 557 C MET A 61 18.754 1.952 15.991 1.00 6.45 C ATOM 558 O MET A 61 18.924 1.557 17.100 1.00 6.50 O ATOM 559 CB MET A 61 19.212 0.548 13.898 1.00 8.17 C ATOM 560 CG MET A 61 18.963 -0.832 14.497 1.00 13.37 C ATOM 561 SD MET A 61 17.208 -0.862 15.258 1.00 94.27 S ATOM 562 CE MET A 61 17.597 -1.467 17.000 1.00 43.65 C ATOM 563 H MET A 61 21.113 0.818 16.433 1.00 0.00 H ATOM 564 N CYS A 62 17.699 2.696 15.604 1.00 5.97 N ATOM 565 CA CYS A 62 16.530 2.955 16.435 1.00 6.13 C ATOM 566 C CYS A 62 15.322 2.307 15.781 1.00 6.22 C ATOM 567 O CYS A 62 15.062 2.561 14.609 1.00 6.31 O ATOM 568 CB CYS A 62 16.282 4.460 16.598 1.00 7.70 C ATOM 569 SG CYS A 62 17.665 5.420 17.239 1.00 11.10 S ATOM 570 H CYS A 62 17.720 3.112 14.651 1.00 0.00 H ATOM 571 N GLN A 63 14.586 1.490 16.531 1.00 5.40 N ATOM 572 CA GLN A 63 13.447 0.755 15.984 1.00 5.98 C ATOM 573 C GLN A 63 12.128 1.162 16.648 1.00 5.80 C ATOM 574 O GLN A 63 12.053 1.295 17.867 1.00 5.82 O ATOM 575 CB GLN A 63 13.677 -0.750 16.144 1.00 5.73 C ATOM 576 CG GLN A 63 12.522 -1.624 15.659 1.00 5.61 C ATOM 577 CD GLN A 63 12.856 -3.094 15.771 1.00 6.61 C ATOM 578 OE1 GLN A 63 14.007 -3.455 16.045 1.00 8.05 O ATOM 579 NE2 GLN A 63 11.868 -3.952 15.548 1.00 7.47 N ATOM 580 HE22 GLN A 63 10.916 -3.601 15.321 1.00 0.00 H ATOM 581 HE21 GLN A 63 12.046 -4.975 15.601 1.00 0.00 H ATOM 582 H GLN A 63 14.828 1.371 17.535 1.00 0.00 H ATOM 583 N GLY A 64 11.082 1.341 15.845 1.00 5.11 N ATOM 584 CA GLY A 64 9.769 1.640 16.385 1.00 5.78 C ATOM 585 C GLY A 64 8.645 1.133 15.504 1.00 6.46 C ATOM 586 O GLY A 64 8.851 0.276 14.648 1.00 6.62 O ATOM 587 H GLY A 64 11.208 1.265 14.815 1.00 0.00 H ATOM 588 N GLY A 65 7.441 1.644 15.731 1.00 8.18 N ATOM 589 CA GLY A 65 6.332 1.342 14.841 1.00 8.23 C ATOM 590 C GLY A 65 5.249 0.400 15.347 1.00 9.26 C ATOM 591 O GLY A 65 4.266 0.177 14.642 1.00 9.43 O ATOM 592 H GLY A 65 7.290 2.265 16.552 1.00 0.00 H ATOM 593 N ASP A 66 5.400 -0.148 16.551 1.00 8.33 N ATOM 594 CA ASP A 66 4.364 -1.029 17.108 1.00 9.00 C ATOM 595 C ASP A 66 3.238 -0.224 17.757 1.00 11.22 C ATOM 596 O ASP A 66 3.314 0.137 18.933 1.00 13.22 O ATOM 597 CB ASP A 66 4.968 -2.005 18.129 1.00 9.72 C ATOM 598 CG ASP A 66 3.948 -3.004 18.669 1.00 13.08 C ATOM 599 OD1 ASP A 66 2.742 -2.870 18.365 1.00 13.18 O ATOM 600 OD2 ASP A 66 4.356 -3.930 19.400 1.00 15.02 O ATOM 601 H ASP A 66 6.259 0.049 17.103 1.00 0.00 H ATOM 602 N PHE A 67 2.179 0.030 16.995 1.00 10.15 N ATOM 603 CA PHE A 67 1.046 0.791 17.512 1.00 12.59 C ATOM 604 C PHE A 67 -0.158 -0.083 17.883 1.00 13.41 C ATOM 605 O PHE A 67 -1.203 0.446 18.256 1.00 15.63 O ATOM 606 CB PHE A 67 0.614 1.861 16.500 1.00 11.17 C ATOM 607 CG PHE A 67 0.202 1.316 15.158 1.00 10.31 C ATOM 608 CD1 PHE A 67 -1.070 0.808 14.960 1.00 10.81 C ATOM 609 CD2 PHE A 67 1.073 1.354 14.080 1.00 8.97 C ATOM 610 CE1 PHE A 67 -1.454 0.318 13.730 1.00 9.71 C ATOM 611 CE2 PHE A 67 0.692 0.874 12.849 1.00 9.26 C ATOM 612 CZ PHE A 67 -0.575 0.351 12.673 1.00 8.70 C ATOM 613 H PHE A 67 2.157 -0.319 16.015 1.00 0.00 H ATOM 614 N THR A 68 -0.025 -1.403 17.786 1.00 13.99 N ATOM 615 CA THR A 68 -1.161 -2.274 18.103 1.00 14.96 C ATOM 616 C THR A 68 -1.005 -2.999 19.440 1.00 20.07 C ATOM 617 O THR A 68 -1.967 -3.113 20.199 1.00 25.59 O ATOM 618 CB THR A 68 -1.411 -3.325 16.992 1.00 13.57 C ATOM 619 OG1 THR A 68 -0.294 -4.218 16.890 1.00 14.28 O ATOM 620 CG2 THR A 68 -1.665 -2.660 15.648 1.00 13.23 C ATOM 621 HG1 THR A 68 -0.468 -4.883 16.177 1.00 0.00 H ATOM 622 H THR A 68 0.881 -1.816 17.486 1.00 0.00 H ATOM 623 N ARG A 69 0.199 -3.484 19.730 1.00 16.19 N ATOM 624 CA ARG A 69 0.446 -4.236 20.960 1.00 21.65 C ATOM 625 C ARG A 69 1.338 -3.476 21.939 1.00 32.35 C ATOM 626 O ARG A 69 1.289 -3.713 23.147 1.00 32.28 O ATOM 627 CB ARG A 69 1.076 -5.592 20.636 1.00 18.29 C ATOM 628 CG ARG A 69 0.173 -6.511 19.830 1.00 22.41 C ATOM 629 CD ARG A 69 0.930 -7.729 19.334 1.00 32.64 C ATOM 630 NE ARG A 69 0.158 -8.522 18.380 1.00 35.93 N ATOM 631 CZ ARG A 69 0.657 -9.532 17.673 1.00 40.56 C ATOM 632 NH1 ARG A 69 1.931 -9.876 17.812 1.00 29.98 N ATOM 633 NH2 ARG A 69 -0.117 -10.200 16.827 1.00 53.98 N ATOM 634 HE ARG A 69 -0.845 -8.282 18.245 1.00 0.00 H ATOM 635 HH12 ARG A 69 2.320 -10.666 17.258 1.00 0.00 H ATOM 636 HH11 ARG A 69 2.541 -9.356 18.474 1.00 0.00 H ATOM 637 HH22 ARG A 69 0.276 -10.989 16.275 1.00 0.00 H ATOM 638 HH21 ARG A 69 -1.116 -9.934 16.716 1.00 0.00 H ATOM 639 H ARG A 69 0.984 -3.325 19.066 1.00 0.00 H ATOM 640 N HIS A 70 2.150 -2.570 21.404 1.00 20.17 N ATOM 641 CA HIS A 70 3.068 -1.756 22.200 1.00 20.90 C ATOM 642 C HIS A 70 4.014 -2.622 23.034 1.00 25.61 C ATOM 643 O HIS A 70 4.350 -2.271 24.166 1.00 29.87 O ATOM 644 CB HIS A 70 2.298 -0.808 23.122 1.00 27.80 C ATOM 645 CG HIS A 70 1.092 -0.187 22.487 1.00 32.04 C ATOM 646 ND1 HIS A 70 1.156 0.949 21.706 1.00 29.86 N ATOM 647 CD2 HIS A 70 -0.215 -0.545 22.521 1.00 34.12 C ATOM 648 CE1 HIS A 70 -0.058 1.259 21.287 1.00 25.70 C ATOM 649 NE2 HIS A 70 -0.908 0.370 21.766 1.00 39.52 N ATOM 650 H HIS A 70 2.132 -2.434 20.373 1.00 0.00 H ATOM 651 N ASN A 71 4.438 -3.756 22.481 1.00 21.17 N ATOM 652 CA ASN A 71 5.404 -4.614 23.165 1.00 23.51 C ATOM 653 C ASN A 71 6.479 -5.146 22.222 1.00 28.35 C ATOM 654 O ASN A 71 7.145 -6.138 22.521 1.00 24.73 O ATOM 655 CB ASN A 71 4.691 -5.776 23.871 1.00 25.13 C ATOM 656 CG ASN A 71 4.072 -6.779 22.903 1.00 28.54 C ATOM 657 OD1 ASN A 71 4.183 -6.650 21.684 1.00 19.33 O ATOM 658 ND2 ASN A 71 3.426 -7.801 23.455 1.00 29.11 N ATOM 659 HD22 ASN A 71 3.355 -7.873 24.490 1.00 0.00 H ATOM 660 HD21 ASN A 71 2.992 -8.528 22.852 1.00 0.00 H ATOM 661 H ASN A 71 4.076 -4.036 21.547 1.00 0.00 H ATOM 662 N GLY A 72 6.631 -4.487 21.077 1.00 20.16 N ATOM 663 CA GLY A 72 7.660 -4.854 20.120 1.00 17.58 C ATOM 664 C GLY A 72 7.292 -5.987 19.183 1.00 17.95 C ATOM 665 O GLY A 72 8.087 -6.374 18.328 1.00 16.27 O ATOM 666 H GLY A 72 5.998 -3.690 20.862 1.00 0.00 H ATOM 667 N THR A 73 6.086 -6.529 19.325 1.00 16.53 N ATOM 668 CA THR A 73 5.695 -7.644 18.472 1.00 16.60 C ATOM 669 C THR A 73 4.619 -7.242 17.469 1.00 13.62 C ATOM 670 O THR A 73 4.328 -7.986 16.533 1.00 16.24 O ATOM 671 CB THR A 73 5.177 -8.845 19.299 1.00 21.24 C ATOM 672 OG1 THR A 73 3.913 -8.518 19.890 1.00 20.62 O ATOM 673 CG2 THR A 73 6.167 -9.205 20.397 1.00 26.43 C ATOM 674 HG1 THR A 73 4.021 -7.733 20.484 1.00 0.00 H ATOM 675 H THR A 73 5.427 -6.160 20.040 1.00 0.00 H ATOM 676 N GLY A 74 4.041 -6.060 17.658 1.00 12.33 N ATOM 677 CA GLY A 74 2.852 -5.691 16.911 1.00 11.93 C ATOM 678 C GLY A 74 3.028 -4.704 15.774 1.00 11.79 C ATOM 679 O GLY A 74 4.127 -4.530 15.222 1.00 10.57 O ATOM 680 H GLY A 74 4.444 -5.394 18.347 1.00 0.00 H ATOM 681 N GLY A 75 1.921 -4.052 15.431 1.00 13.31 N ATOM 682 CA GLY A 75 1.857 -3.158 14.293 1.00 10.50 C ATOM 683 C GLY A 75 1.226 -3.868 13.108 1.00 9.32 C ATOM 684 O GLY A 75 1.189 -5.097 13.050 1.00 10.97 O ATOM 685 H GLY A 75 1.064 -4.190 16.004 1.00 0.00 H ATOM 686 N LYS A 76 0.716 -3.090 12.162 1.00 8.46 N ATOM 687 CA LYS A 76 0.170 -3.642 10.927 1.00 8.31 C ATOM 688 C LYS A 76 0.310 -2.642 9.789 1.00 7.24 C ATOM 689 O LYS A 76 0.430 -1.439 10.018 1.00 7.74 O ATOM 690 CB LYS A 76 -1.306 -4.047 11.103 1.00 8.18 C ATOM 691 CG LYS A 76 -2.279 -2.890 11.323 1.00 7.95 C ATOM 692 CD LYS A 76 -3.725 -3.391 11.273 1.00 10.04 C ATOM 693 CE LYS A 76 -4.728 -2.278 11.563 1.00 7.91 C ATOM 694 NZ LYS A 76 -6.142 -2.783 11.467 1.00 10.98 N ATOM 695 HZ1 LYS A 76 -6.315 -3.145 10.508 1.00 0.00 H ATOM 696 HZ2 LYS A 76 -6.284 -3.547 12.158 1.00 0.00 H ATOM 697 HZ3 LYS A 76 -6.801 -2.004 11.669 1.00 0.00 H ATOM 698 H LYS A 76 0.705 -2.060 12.305 1.00 0.00 H ATOM 699 N SER A 77 0.308 -3.151 8.564 1.00 7.77 N ATOM 700 CA SER A 77 0.379 -2.306 7.387 1.00 6.93 C ATOM 701 C SER A 77 -0.989 -1.747 7.020 1.00 7.43 C ATOM 702 O SER A 77 -1.995 -2.097 7.633 1.00 8.76 O ATOM 703 CB SER A 77 0.946 -3.092 6.206 1.00 9.34 C ATOM 704 OG SER A 77 -0.043 -3.944 5.644 1.00 9.18 O ATOM 705 HG SER A 77 -0.356 -4.583 6.332 1.00 0.00 H ATOM 706 H SER A 77 0.254 -4.183 8.444 1.00 0.00 H ATOM 707 N ILE A 78 -1.017 -0.896 6.000 1.00 7.55 N ATOM 708 CA ILE A 78 -2.272 -0.377 5.464 1.00 7.36 C ATOM 709 C ILE A 78 -2.903 -1.361 4.481 1.00 9.52 C ATOM 710 O ILE A 78 -3.949 -1.075 3.902 1.00 9.67 O ATOM 711 CB ILE A 78 -2.066 0.976 4.753 1.00 8.45 C ATOM 712 CG1 ILE A 78 -1.139 0.822 3.544 1.00 8.16 C ATOM 713 CG2 ILE A 78 -1.515 2.011 5.729 1.00 9.21 C ATOM 714 CD1 ILE A 78 -1.116 2.041 2.634 1.00 9.62 C ATOM 715 H ILE A 78 -0.120 -0.591 5.571 1.00 0.00 H ATOM 716 N TYR A 79 -2.265 -2.516 4.300 1.00 8.05 N ATOM 717 CA TYR A 79 -2.721 -3.506 3.323 1.00 10.77 C ATOM 718 C TYR A 79 -3.379 -4.715 3.986 1.00 12.35 C ATOM 719 O TYR A 79 -3.522 -5.769 3.367 1.00 17.26 O ATOM 720 CB TYR A 79 -1.550 -3.964 2.445 1.00 10.50 C ATOM 721 CG TYR A 79 -0.803 -2.813 1.806 1.00 9.22 C ATOM 722 CD1 TYR A 79 -1.438 -1.966 0.902 1.00 9.91 C ATOM 723 CD2 TYR A 79 0.534 -2.571 2.104 1.00 10.25 C ATOM 724 CE1 TYR A 79 -0.767 -0.910 0.319 1.00 9.20 C ATOM 725 CE2 TYR A 79 1.221 -1.523 1.520 1.00 10.43 C ATOM 726 CZ TYR A 79 0.567 -0.690 0.631 1.00 8.33 C ATOM 727 OH TYR A 79 1.228 0.364 0.039 1.00 10.49 O ATOM 728 HH TYR A 79 0.606 0.846 -0.562 1.00 0.00 H ATOM 729 H TYR A 79 -1.419 -2.720 4.869 1.00 0.00 H ATOM 730 N GLY A 80 -3.787 -4.553 5.237 1.00 11.97 N ATOM 731 CA GLY A 80 -4.404 -5.633 5.987 1.00 17.20 C ATOM 732 C GLY A 80 -3.602 -5.958 7.235 1.00 30.26 C ATOM 733 O GLY A 80 -3.846 -5.402 8.309 1.00 23.98 O ATOM 734 H GLY A 80 -3.662 -3.627 5.694 1.00 0.00 H ATOM 735 N GLU A 81 -2.640 -6.862 7.090 1.00 23.59 N ATOM 736 CA GLU A 81 -1.753 -7.230 8.188 1.00 22.09 C ATOM 737 C GLU A 81 -0.295 -7.088 7.760 1.00 24.69 C ATOM 738 O GLU A 81 0.338 -6.067 8.041 1.00 19.50 O ATOM 739 CB GLU A 81 -2.035 -8.656 8.660 1.00 32.14 C ATOM 740 CG GLU A 81 -3.264 -8.774 9.547 1.00 39.56 C ATOM 741 CD GLU A 81 -3.103 -8.031 10.858 1.00 61.63 C ATOM 742 OE1 GLU A 81 -1.974 -7.997 11.391 1.00 70.51 O ATOM 743 OE2 GLU A 81 -4.106 -7.477 11.355 1.00 60.83 O ATOM 744 H GLU A 81 -2.515 -7.322 6.165 1.00 0.00 H ATOM 745 N LYS A 82 0.230 -8.104 7.076 1.00 18.22 N ATOM 746 CA LYS A 82 1.605 -8.071 6.571 1.00 13.97 C ATOM 747 C LYS A 82 1.645 -8.015 5.048 1.00 16.41 C ATOM 748 O LYS A 82 0.685 -8.421 4.387 1.00 23.02 O ATOM 749 CB LYS A 82 2.394 -9.290 7.060 1.00 15.05 C ATOM 750 CG LYS A 82 2.501 -9.423 8.570 1.00 15.76 C ATOM 751 CD LYS A 82 3.046 -8.161 9.224 1.00 17.46 C ATOM 752 CE LYS A 82 3.434 -8.415 10.678 1.00 22.62 C ATOM 753 NZ LYS A 82 2.308 -8.983 11.479 1.00 26.53 N ATOM 754 HZ1 LYS A 82 1.509 -8.318 11.472 1.00 0.00 H ATOM 755 HZ2 LYS A 82 2.011 -9.889 11.063 1.00 0.00 H ATOM 756 HZ3 LYS A 82 2.624 -9.137 12.458 1.00 0.00 H ATOM 757 H LYS A 82 -0.354 -8.946 6.895 1.00 0.00 H ATOM 758 N PHE A 83 2.749 -7.513 4.489 1.00 10.27 N ATOM 759 CA PHE A 83 2.930 -7.557 3.040 1.00 11.61 C ATOM 760 C PHE A 83 4.345 -7.972 2.613 1.00 12.10 C ATOM 761 O PHE A 83 5.290 -8.005 3.407 1.00 10.26 O ATOM 762 CB PHE A 83 2.540 -6.210 2.386 1.00 11.76 C ATOM 763 CG PHE A 83 3.395 -5.024 2.784 1.00 9.86 C ATOM 764 CD1 PHE A 83 3.236 -4.407 4.018 1.00 9.87 C ATOM 765 CD2 PHE A 83 4.293 -4.469 1.881 1.00 10.36 C ATOM 766 CE1 PHE A 83 4.001 -3.296 4.365 1.00 8.00 C ATOM 767 CE2 PHE A 83 5.061 -3.359 2.222 1.00 9.40 C ATOM 768 CZ PHE A 83 4.911 -2.773 3.464 1.00 9.60 C ATOM 769 H PHE A 83 3.485 -7.088 5.089 1.00 0.00 H ATOM 770 N GLU A 84 4.456 -8.319 1.339 1.00 13.71 N ATOM 771 CA GLU A 84 5.656 -8.904 0.765 1.00 13.18 C ATOM 772 C GLU A 84 6.821 -7.922 0.715 1.00 12.05 C ATOM 773 O GLU A 84 6.620 -6.699 0.672 1.00 12.07 O ATOM 774 CB GLU A 84 5.365 -9.420 -0.649 1.00 15.93 C ATOM 775 CG GLU A 84 4.617 -8.455 -1.611 1.00 29.59 C ATOM 776 CD GLU A 84 3.222 -8.012 -1.147 1.00 44.24 C ATOM 777 OE1 GLU A 84 2.554 -8.749 -0.384 1.00 32.21 O ATOM 778 OE2 GLU A 84 2.801 -6.901 -1.538 1.00 38.58 O ATOM 779 H GLU A 84 3.639 -8.164 0.715 1.00 0.00 H ATOM 780 N ASP A 85 8.041 -8.455 0.735 1.00 10.90 N ATOM 781 CA ASP A 85 9.232 -7.653 0.460 1.00 10.13 C ATOM 782 C ASP A 85 9.153 -7.154 -0.973 1.00 11.23 C ATOM 783 O ASP A 85 9.164 -7.948 -1.914 1.00 13.94 O ATOM 784 CB ASP A 85 10.510 -8.469 0.678 1.00 9.84 C ATOM 785 CG ASP A 85 10.666 -8.929 2.107 1.00 11.02 C ATOM 786 OD1 ASP A 85 10.528 -8.088 3.016 1.00 9.74 O ATOM 787 OD2 ASP A 85 10.943 -10.128 2.327 1.00 11.16 O ATOM 788 H ASP A 85 8.149 -9.466 0.952 1.00 0.00 H ATOM 789 N GLU A 86 9.070 -5.839 -1.137 1.00 9.83 N ATOM 790 CA GLU A 86 8.819 -5.255 -2.449 1.00 10.97 C ATOM 791 C GLU A 86 9.999 -5.467 -3.397 1.00 13.01 C ATOM 792 O GLU A 86 9.836 -5.946 -4.522 1.00 13.52 O ATOM 793 CB GLU A 86 8.501 -3.766 -2.303 1.00 10.65 C ATOM 794 CG GLU A 86 7.976 -3.116 -3.564 1.00 12.52 C ATOM 795 CD GLU A 86 7.415 -1.736 -3.304 1.00 13.06 C ATOM 796 OE1 GLU A 86 7.577 -1.229 -2.171 1.00 11.29 O ATOM 797 OE2 GLU A 86 6.797 -1.164 -4.225 1.00 11.75 O ATOM 798 H GLU A 86 9.186 -5.214 -0.314 1.00 0.00 H ATOM 799 N ASN A 87 11.184 -5.099 -2.932 1.00 10.65 N ATOM 800 CA ASN A 87 12.433 -5.417 -3.611 1.00 11.43 C ATOM 801 C ASN A 87 13.565 -5.108 -2.654 1.00 12.44 C ATOM 802 O ASN A 87 13.333 -4.558 -1.579 1.00 10.97 O ATOM 803 CB ASN A 87 12.606 -4.632 -4.917 1.00 11.64 C ATOM 804 CG ASN A 87 12.638 -3.131 -4.701 1.00 12.28 C ATOM 805 OD1 ASN A 87 13.549 -2.603 -4.064 1.00 12.20 O ATOM 806 ND2 ASN A 87 11.661 -2.433 -5.263 1.00 14.16 N ATOM 807 HD22 ASN A 87 10.911 -2.922 -5.793 1.00 0.00 H ATOM 808 HD21 ASN A 87 11.645 -1.397 -5.174 1.00 0.00 H ATOM 809 H ASN A 87 11.224 -4.560 -2.044 1.00 0.00 H ATOM 810 N PHE A 88 14.783 -5.449 -3.050 1.00 11.24 N ATOM 811 CA PHE A 88 15.955 -5.142 -2.247 1.00 11.36 C ATOM 812 C PHE A 88 16.952 -4.316 -3.043 1.00 11.86 C ATOM 813 O PHE A 88 18.160 -4.487 -2.913 1.00 15.16 O ATOM 814 CB PHE A 88 16.598 -6.427 -1.737 1.00 12.42 C ATOM 815 CG PHE A 88 15.721 -7.205 -0.802 1.00 10.75 C ATOM 816 CD1 PHE A 88 15.416 -6.703 0.450 1.00 10.30 C ATOM 817 CD2 PHE A 88 15.202 -8.436 -1.171 1.00 11.98 C ATOM 818 CE1 PHE A 88 14.615 -7.411 1.322 1.00 9.90 C ATOM 819 CE2 PHE A 88 14.402 -9.154 -0.303 1.00 11.26 C ATOM 820 CZ PHE A 88 14.106 -8.646 0.947 1.00 10.76 C ATOM 821 H PHE A 88 14.903 -5.947 -3.955 1.00 0.00 H ATOM 822 N ILE A 89 16.430 -3.409 -3.864 1.00 11.96 N ATOM 823 CA ILE A 89 17.272 -2.546 -4.686 1.00 12.49 C ATOM 824 C ILE A 89 18.219 -1.694 -3.840 1.00 13.55 C ATOM 825 O ILE A 89 19.419 -1.609 -4.115 1.00 13.97 O ATOM 826 CB ILE A 89 16.418 -1.622 -5.569 1.00 14.01 C ATOM 827 CG1 ILE A 89 15.630 -2.448 -6.588 1.00 15.10 C ATOM 828 CG2 ILE A 89 17.295 -0.590 -6.276 1.00 18.19 C ATOM 829 CD1 ILE A 89 14.615 -1.643 -7.368 1.00 17.32 C ATOM 830 H ILE A 89 15.396 -3.312 -3.922 1.00 0.00 H ATOM 831 N LEU A 90 17.673 -1.068 -2.806 1.00 12.12 N ATOM 832 CA LEU A 90 18.448 -0.166 -1.972 1.00 11.65 C ATOM 833 C LEU A 90 19.102 -0.888 -0.799 1.00 9.93 C ATOM 834 O LEU A 90 18.555 -1.850 -0.251 1.00 10.16 O ATOM 835 CB LEU A 90 17.560 0.966 -1.469 1.00 11.29 C ATOM 836 CG LEU A 90 16.970 1.793 -2.609 1.00 12.37 C ATOM 837 CD1 LEU A 90 15.973 2.802 -2.071 1.00 14.69 C ATOM 838 CD2 LEU A 90 18.071 2.488 -3.392 1.00 16.28 C ATOM 839 H LEU A 90 16.669 -1.226 -2.588 1.00 0.00 H ATOM 840 N LYS A 91 20.280 -0.406 -0.419 1.00 10.06 N ATOM 841 CA LYS A 91 21.080 -1.061 0.603 1.00 9.74 C ATOM 842 C LYS A 91 21.218 -0.204 1.857 1.00 9.16 C ATOM 843 O LYS A 91 20.935 1.002 1.847 1.00 8.26 O ATOM 844 CB LYS A 91 22.466 -1.402 0.048 1.00 11.61 C ATOM 845 CG LYS A 91 22.437 -2.365 -1.129 1.00 16.91 C ATOM 846 CD LYS A 91 23.840 -2.632 -1.658 1.00 25.07 C ATOM 847 CE LYS A 91 23.827 -3.701 -2.739 1.00 36.10 C ATOM 848 NZ LYS A 91 23.251 -4.980 -2.238 1.00 44.28 N ATOM 849 HZ1 LYS A 91 23.821 -5.326 -1.440 1.00 0.00 H ATOM 850 HZ2 LYS A 91 22.273 -4.819 -1.923 1.00 0.00 H ATOM 851 HZ3 LYS A 91 23.258 -5.685 -3.002 1.00 0.00 H ATOM 852 H LYS A 91 20.639 0.463 -0.864 1.00 0.00 H ATOM 853 N HIS A 92 21.647 -0.850 2.937 1.00 8.40 N ATOM 854 CA HIS A 92 21.891 -0.185 4.210 1.00 8.57 C ATOM 855 C HIS A 92 23.290 0.429 4.195 1.00 10.39 C ATOM 856 O HIS A 92 24.235 -0.130 4.761 1.00 9.83 O ATOM 857 CB HIS A 92 21.730 -1.181 5.371 1.00 7.49 C ATOM 858 CG HIS A 92 20.375 -1.829 5.431 1.00 6.97 C ATOM 859 ND1 HIS A 92 20.025 -2.905 4.640 1.00 7.65 N ATOM 860 CD2 HIS A 92 19.286 -1.554 6.189 1.00 6.57 C ATOM 861 CE1 HIS A 92 18.777 -3.255 4.901 1.00 6.83 C ATOM 862 NE2 HIS A 92 18.306 -2.451 5.841 1.00 6.20 N ATOM 863 H HIS A 92 21.816 -1.874 2.870 1.00 0.00 H ATOM 864 N THR A 93 23.412 1.586 3.550 1.00 8.81 N ATOM 865 CA THR A 93 24.717 2.138 3.179 1.00 10.68 C ATOM 866 C THR A 93 25.387 3.006 4.239 1.00 10.46 C ATOM 867 O THR A 93 26.591 3.261 4.167 1.00 10.26 O ATOM 868 CB THR A 93 24.602 2.990 1.914 1.00 11.36 C ATOM 869 OG1 THR A 93 23.541 3.939 2.087 1.00 12.69 O ATOM 870 CG2 THR A 93 24.307 2.118 0.707 1.00 13.09 C ATOM 871 HG1 THR A 93 23.460 4.495 1.272 1.00 0.00 H ATOM 872 H THR A 93 22.553 2.116 3.301 1.00 0.00 H ATOM 873 N GLY A 94 24.616 3.483 5.206 1.00 9.23 N ATOM 874 CA GLY A 94 25.175 4.331 6.237 1.00 9.53 C ATOM 875 C GLY A 94 24.123 4.962 7.121 1.00 8.11 C ATOM 876 O GLY A 94 22.943 4.599 7.060 1.00 7.89 O ATOM 877 H GLY A 94 23.603 3.246 5.224 1.00 0.00 H ATOM 878 N PRO A 95 24.543 5.917 7.960 1.00 7.53 N ATOM 879 CA PRO A 95 23.647 6.610 8.886 1.00 8.90 C ATOM 880 C PRO A 95 22.469 7.264 8.163 1.00 8.20 C ATOM 881 O PRO A 95 22.642 7.832 7.091 1.00 8.46 O ATOM 882 CB PRO A 95 24.552 7.669 9.523 1.00 9.23 C ATOM 883 CG PRO A 95 25.939 7.089 9.408 1.00 8.94 C ATOM 884 CD PRO A 95 25.939 6.382 8.088 1.00 9.42 C ATOM 885 N GLY A 96 21.277 7.148 8.735 1.00 5.91 N ATOM 886 CA GLY A 96 20.103 7.807 8.186 1.00 7.42 C ATOM 887 C GLY A 96 19.169 6.921 7.386 1.00 6.63 C ATOM 888 O GLY A 96 18.034 7.304 7.120 1.00 6.59 O ATOM 889 H GLY A 96 21.180 6.572 9.596 1.00 0.00 H ATOM 890 N ILE A 97 19.637 5.742 6.998 1.00 6.64 N ATOM 891 CA ILE A 97 18.822 4.817 6.218 1.00 6.12 C ATOM 892 C ILE A 97 17.582 4.367 6.998 1.00 5.90 C ATOM 893 O ILE A 97 17.666 4.026 8.182 1.00 6.79 O ATOM 894 CB ILE A 97 19.661 3.602 5.786 1.00 6.15 C ATOM 895 CG1 ILE A 97 20.659 4.006 4.695 1.00 9.27 C ATOM 896 CG2 ILE A 97 18.777 2.444 5.314 1.00 8.32 C ATOM 897 CD1 ILE A 97 20.032 4.371 3.366 1.00 12.38 C ATOM 898 H ILE A 97 20.607 5.471 7.256 1.00 0.00 H ATOM 899 N LEU A 98 16.435 4.413 6.321 1.00 4.87 N ATOM 900 CA LEU A 98 15.154 3.990 6.870 1.00 4.95 C ATOM 901 C LEU A 98 14.728 2.687 6.202 1.00 5.73 C ATOM 902 O LEU A 98 14.672 2.612 4.975 1.00 6.34 O ATOM 903 CB LEU A 98 14.102 5.078 6.640 1.00 4.91 C ATOM 904 CG LEU A 98 12.655 4.826 7.075 1.00 4.90 C ATOM 905 CD1 LEU A 98 12.535 4.690 8.582 1.00 6.55 C ATOM 906 CD2 LEU A 98 11.753 5.940 6.571 1.00 6.43 C ATOM 907 H LEU A 98 16.456 4.771 5.345 1.00 0.00 H ATOM 908 N SER A 99 14.431 1.670 7.009 1.00 4.30 N ATOM 909 CA SER A 99 14.245 0.307 6.513 1.00 4.60 C ATOM 910 C SER A 99 13.150 -0.425 7.297 1.00 5.98 C ATOM 911 O SER A 99 12.822 -0.048 8.426 1.00 5.47 O ATOM 912 CB SER A 99 15.578 -0.451 6.594 1.00 5.92 C ATOM 913 OG SER A 99 15.480 -1.784 6.107 1.00 5.83 O ATOM 914 HG SER A 99 16.362 -2.227 6.181 1.00 0.00 H ATOM 915 H SER A 99 14.328 1.852 8.028 1.00 0.00 H ATOM 916 N MET A 100 12.581 -1.466 6.698 1.00 6.00 N ATOM 917 CA MET A 100 11.489 -2.201 7.345 1.00 5.85 C ATOM 918 C MET A 100 11.993 -3.280 8.285 1.00 6.33 C ATOM 919 O MET A 100 12.828 -4.106 7.909 1.00 6.23 O ATOM 920 CB MET A 100 10.558 -2.848 6.304 1.00 6.75 C ATOM 921 CG MET A 100 9.716 -1.858 5.515 1.00 7.34 C ATOM 922 SD MET A 100 8.672 -0.819 6.550 1.00 10.25 S ATOM 923 CE MET A 100 7.417 -1.999 7.074 1.00 7.74 C ATOM 924 H MET A 100 12.914 -1.763 5.759 1.00 0.00 H ATOM 925 N ALA A 101 11.471 -3.273 9.506 1.00 5.18 N ATOM 926 CA ALA A 101 11.706 -4.369 10.436 1.00 6.15 C ATOM 927 C ALA A 101 10.840 -5.547 10.003 1.00 6.95 C ATOM 928 O ALA A 101 9.832 -5.355 9.339 1.00 7.68 O ATOM 929 CB ALA A 101 11.385 -3.944 11.854 1.00 5.46 C ATOM 930 H ALA A 101 10.883 -2.469 9.804 1.00 0.00 H ATOM 931 N ASN A 102 11.230 -6.764 10.353 1.00 6.96 N ATOM 932 CA ASN A 102 10.401 -7.918 9.999 1.00 7.70 C ATOM 933 C ASN A 102 10.756 -9.150 10.815 1.00 9.33 C ATOM 934 O ASN A 102 11.687 -9.122 11.624 1.00 9.44 O ATOM 935 CB ASN A 102 10.504 -8.221 8.492 1.00 7.98 C ATOM 936 CG ASN A 102 11.888 -8.660 8.061 1.00 8.71 C ATOM 937 OD1 ASN A 102 12.484 -9.557 8.651 1.00 9.44 O ATOM 938 ND2 ASN A 102 12.405 -8.024 7.020 1.00 8.70 N ATOM 939 HD22 ASN A 102 11.864 -7.270 6.550 1.00 0.00 H ATOM 940 HD21 ASN A 102 13.352 -8.279 6.673 1.00 0.00 H ATOM 941 H ASN A 102 12.119 -6.899 10.876 1.00 0.00 H ATOM 942 N ALA A 103 10.011 -10.232 10.596 1.00 8.64 N ATOM 943 CA ALA A 103 10.257 -11.486 11.296 1.00 12.06 C ATOM 944 C ALA A 103 10.581 -12.586 10.295 1.00 13.59 C ATOM 945 O ALA A 103 10.227 -13.752 10.497 1.00 17.87 O ATOM 946 CB ALA A 103 9.054 -11.868 12.143 1.00 11.46 C ATOM 947 H ALA A 103 9.233 -10.181 9.907 1.00 0.00 H ATOM 948 N GLY A 104 11.266 -12.215 9.219 1.00 11.21 N ATOM 949 CA GLY A 104 11.560 -13.139 8.138 1.00 12.36 C ATOM 950 C GLY A 104 10.976 -12.634 6.833 1.00 12.03 C ATOM 951 O GLY A 104 10.341 -11.581 6.806 1.00 9.45 O ATOM 952 H GLY A 104 11.602 -11.233 9.149 1.00 0.00 H ATOM 953 N PRO A 105 11.193 -13.372 5.738 1.00 12.28 N ATOM 954 CA PRO A 105 10.709 -12.953 4.419 1.00 11.53 C ATOM 955 C PRO A 105 9.211 -12.657 4.382 1.00 11.24 C ATOM 956 O PRO A 105 8.403 -13.391 4.969 1.00 11.58 O ATOM 957 CB PRO A 105 11.058 -14.150 3.526 1.00 12.47 C ATOM 958 CG PRO A 105 12.282 -14.728 4.180 1.00 13.52 C ATOM 959 CD PRO A 105 12.036 -14.579 5.659 1.00 13.16 C ATOM 960 N ASN A 106 8.865 -11.560 3.710 1.00 10.63 N ATOM 961 CA ASN A 106 7.473 -11.188 3.451 1.00 11.64 C ATOM 962 C ASN A 106 6.607 -11.028 4.701 1.00 11.28 C ATOM 963 O ASN A 106 5.465 -11.484 4.740 1.00 12.36 O ATOM 964 CB ASN A 106 6.844 -12.219 2.508 1.00 12.33 C ATOM 965 CG ASN A 106 7.624 -12.369 1.225 1.00 13.27 C ATOM 966 OD1 ASN A 106 8.049 -11.379 0.625 1.00 13.25 O ATOM 967 ND2 ASN A 106 7.823 -13.608 0.791 1.00 18.99 N ATOM 968 HD22 ASN A 106 7.446 -14.414 1.329 1.00 0.00 H ATOM 969 HD21 ASN A 106 8.356 -13.772 -0.087 1.00 0.00 H ATOM 970 H ASN A 106 9.619 -10.939 3.353 1.00 0.00 H ATOM 971 N THR A 107 7.145 -10.355 5.715 1.00 9.54 N ATOM 972 CA THR A 107 6.395 -10.117 6.945 1.00 9.86 C ATOM 973 C THR A 107 6.422 -8.634 7.326 1.00 8.68 C ATOM 974 O THR A 107 6.447 -8.282 8.506 1.00 9.07 O ATOM 975 CB THR A 107 6.930 -10.960 8.126 1.00 9.32 C ATOM 976 OG1 THR A 107 8.322 -10.681 8.345 1.00 8.77 O ATOM 977 CG2 THR A 107 6.752 -12.453 7.847 1.00 10.54 C ATOM 978 HG1 THR A 107 8.835 -10.905 7.528 1.00 0.00 H ATOM 979 H THR A 107 8.116 -9.992 5.630 1.00 0.00 H ATOM 980 N ASN A 108 6.411 -7.763 6.323 1.00 8.33 N ATOM 981 CA ASN A 108 6.366 -6.325 6.583 1.00 8.32 C ATOM 982 C ASN A 108 5.033 -5.875 7.170 1.00 9.02 C ATOM 983 O ASN A 108 3.980 -6.183 6.624 1.00 9.62 O ATOM 984 CB ASN A 108 6.637 -5.556 5.299 1.00 7.83 C ATOM 985 CG ASN A 108 7.995 -5.853 4.739 1.00 9.24 C ATOM 986 OD1 ASN A 108 9.002 -5.409 5.282 1.00 8.40 O ATOM 987 ND2 ASN A 108 8.039 -6.614 3.657 1.00 8.38 N ATOM 988 HD22 ASN A 108 7.157 -6.966 3.233 1.00 0.00 H ATOM 989 HD21 ASN A 108 8.955 -6.859 3.231 1.00 0.00 H ATOM 990 H ASN A 108 6.435 -8.108 5.342 1.00 0.00 H ATOM 991 N GLY A 109 5.078 -5.130 8.271 1.00 7.65 N ATOM 992 CA GLY A 109 3.873 -4.585 8.865 1.00 8.95 C ATOM 993 C GLY A 109 3.993 -3.081 8.931 1.00 5.99 C ATOM 994 O GLY A 109 3.935 -2.401 7.907 1.00 6.80 O ATOM 995 H GLY A 109 5.998 -4.934 8.715 1.00 0.00 H ATOM 996 N SER A 110 4.188 -2.566 10.141 1.00 6.22 N ATOM 997 CA SER A 110 4.444 -1.142 10.330 1.00 6.37 C ATOM 998 C SER A 110 5.805 -0.866 10.960 1.00 6.60 C ATOM 999 O SER A 110 6.307 0.250 10.882 1.00 6.83 O ATOM 1000 CB SER A 110 3.354 -0.524 11.202 1.00 7.36 C ATOM 1001 OG SER A 110 3.333 -1.125 12.492 1.00 7.86 O ATOM 1002 HG SER A 110 4.209 -0.989 12.933 1.00 0.00 H ATOM 1003 H SER A 110 4.157 -3.192 10.971 1.00 0.00 H ATOM 1004 N GLN A 111 6.404 -1.864 11.599 1.00 6.46 N ATOM 1005 CA GLN A 111 7.659 -1.612 12.302 1.00 7.48 C ATOM 1006 C GLN A 111 8.791 -1.297 11.336 1.00 5.46 C ATOM 1007 O GLN A 111 8.891 -1.872 10.250 1.00 6.21 O ATOM 1008 CB GLN A 111 8.039 -2.790 13.198 1.00 6.51 C ATOM 1009 CG GLN A 111 7.243 -2.836 14.494 1.00 7.35 C ATOM 1010 CD GLN A 111 7.810 -3.836 15.479 1.00 8.20 C ATOM 1011 OE1 GLN A 111 9.015 -3.832 15.759 1.00 9.28 O ATOM 1012 NE2 GLN A 111 6.950 -4.697 16.018 1.00 9.80 N ATOM 1013 HE22 GLN A 111 5.945 -4.663 15.753 1.00 0.00 H ATOM 1014 HE21 GLN A 111 7.283 -5.404 16.705 1.00 0.00 H ATOM 1015 H GLN A 111 5.984 -2.815 11.599 1.00 0.00 H ATOM 1016 N PHE A 112 9.646 -0.371 11.761 1.00 4.78 N ATOM 1017 CA PHE A 112 10.695 0.190 10.925 1.00 5.19 C ATOM 1018 C PHE A 112 11.918 0.437 11.791 1.00 5.13 C ATOM 1019 O PHE A 112 11.826 0.440 13.024 1.00 5.10 O ATOM 1020 CB PHE A 112 10.236 1.514 10.312 1.00 4.87 C ATOM 1021 CG PHE A 112 9.964 2.561 11.351 1.00 5.31 C ATOM 1022 CD1 PHE A 112 10.987 3.394 11.795 1.00 6.30 C ATOM 1023 CD2 PHE A 112 8.708 2.671 11.936 1.00 6.54 C ATOM 1024 CE1 PHE A 112 10.759 4.327 12.788 1.00 6.64 C ATOM 1025 CE2 PHE A 112 8.478 3.606 12.926 1.00 5.64 C ATOM 1026 CZ PHE A 112 9.498 4.434 13.350 1.00 6.98 C ATOM 1027 H PHE A 112 9.560 -0.031 12.740 1.00 0.00 H ATOM 1028 N PHE A 113 13.055 0.698 11.160 1.00 4.52 N ATOM 1029 CA PHE A 113 14.210 1.154 11.922 1.00 4.54 C ATOM 1030 C PHE A 113 15.007 2.199 11.157 1.00 4.95 C ATOM 1031 O PHE A 113 14.978 2.260 9.921 1.00 5.16 O ATOM 1032 CB PHE A 113 15.109 -0.024 12.352 1.00 5.38 C ATOM 1033 CG PHE A 113 15.679 -0.838 11.221 1.00 4.75 C ATOM 1034 CD1 PHE A 113 14.911 -1.790 10.575 1.00 4.87 C ATOM 1035 CD2 PHE A 113 17.006 -0.700 10.853 1.00 5.76 C ATOM 1036 CE1 PHE A 113 15.444 -2.564 9.554 1.00 5.59 C ATOM 1037 CE2 PHE A 113 17.550 -1.474 9.843 1.00 5.95 C ATOM 1038 CZ PHE A 113 16.761 -2.414 9.192 1.00 5.58 C ATOM 1039 H PHE A 113 13.122 0.578 10.129 1.00 0.00 H ATOM 1040 N ILE A 114 15.677 3.050 11.928 1.00 5.11 N ATOM 1041 CA ILE A 114 16.547 4.090 11.403 1.00 5.23 C ATOM 1042 C ILE A 114 17.985 3.722 11.748 1.00 5.75 C ATOM 1043 O ILE A 114 18.337 3.651 12.926 1.00 6.04 O ATOM 1044 CB ILE A 114 16.229 5.467 11.995 1.00 5.34 C ATOM 1045 CG1 ILE A 114 14.742 5.799 11.858 1.00 6.37 C ATOM 1046 CG2 ILE A 114 17.101 6.524 11.330 1.00 6.32 C ATOM 1047 CD1 ILE A 114 14.325 7.015 12.684 1.00 8.56 C ATOM 1048 H ILE A 114 15.574 2.968 12.960 1.00 0.00 H ATOM 1049 N CYS A 115 18.812 3.499 10.733 1.00 6.44 N ATOM 1050 CA CYS A 115 20.210 3.143 10.957 1.00 7.06 C ATOM 1051 C CYS A 115 21.036 4.340 11.388 1.00 6.02 C ATOM 1052 O CYS A 115 20.815 5.456 10.920 1.00 7.37 O ATOM 1053 CB CYS A 115 20.819 2.560 9.686 1.00 7.02 C ATOM 1054 SG CYS A 115 19.993 1.077 9.109 1.00 10.10 S ATOM 1055 H CYS A 115 18.457 3.580 9.759 1.00 0.00 H ATOM 1056 N THR A 116 22.013 4.112 12.261 1.00 6.96 N ATOM 1057 CA THR A 116 22.972 5.165 12.581 1.00 7.50 C ATOM 1058 C THR A 116 24.365 4.748 12.114 1.00 9.16 C ATOM 1059 O THR A 116 25.369 5.386 12.448 1.00 9.92 O ATOM 1060 CB THR A 116 22.979 5.503 14.086 1.00 9.37 C ATOM 1061 OG1 THR A 116 23.278 4.331 14.855 1.00 10.97 O ATOM 1062 CG2 THR A 116 21.614 6.050 14.501 1.00 9.31 C ATOM 1063 HG1 THR A 116 23.279 4.561 15.818 1.00 0.00 H ATOM 1064 H THR A 116 22.094 3.181 12.717 1.00 0.00 H ATOM 1065 N ALA A 117 24.408 3.685 11.316 1.00 6.50 N ATOM 1066 CA ALA A 117 25.649 3.171 10.745 1.00 7.89 C ATOM 1067 C ALA A 117 25.337 2.315 9.525 1.00 8.18 C ATOM 1068 O ALA A 117 24.188 1.914 9.322 1.00 7.76 O ATOM 1069 CB ALA A 117 26.426 2.358 11.784 1.00 8.83 C ATOM 1070 H ALA A 117 23.518 3.198 11.089 1.00 0.00 H ATOM 1071 N LYS A 118 26.356 2.043 8.718 1.00 6.81 N ATOM 1072 CA LYS A 118 26.261 1.062 7.638 1.00 7.87 C ATOM 1073 C LYS A 118 26.042 -0.331 8.220 1.00 6.82 C ATOM 1074 O LYS A 118 26.806 -0.771 9.074 1.00 7.50 O ATOM 1075 CB LYS A 118 27.532 1.095 6.784 1.00 8.23 C ATOM 1076 CG LYS A 118 27.671 -0.036 5.774 1.00 7.14 C ATOM 1077 CD LYS A 118 28.883 0.198 4.887 1.00 7.67 C ATOM 1078 CE LYS A 118 29.065 -0.915 3.872 1.00 10.64 C ATOM 1079 NZ LYS A 118 29.663 -2.140 4.479 1.00 9.72 N ATOM 1080 HZ1 LYS A 118 30.596 -1.909 4.876 1.00 0.00 H ATOM 1081 HZ2 LYS A 118 29.040 -2.490 5.235 1.00 0.00 H ATOM 1082 HZ3 LYS A 118 29.768 -2.872 3.748 1.00 0.00 H ATOM 1083 H LYS A 118 27.255 2.546 8.859 1.00 0.00 H ATOM 1084 N THR A 119 24.986 -1.006 7.771 1.00 6.73 N ATOM 1085 CA THR A 119 24.619 -2.317 8.303 1.00 7.02 C ATOM 1086 C THR A 119 24.375 -3.303 7.153 1.00 6.78 C ATOM 1087 O THR A 119 23.247 -3.783 6.946 1.00 6.65 O ATOM 1088 CB THR A 119 23.362 -2.236 9.213 1.00 6.69 C ATOM 1089 OG1 THR A 119 22.253 -1.702 8.473 1.00 6.71 O ATOM 1090 CG2 THR A 119 23.618 -1.329 10.419 1.00 8.40 C ATOM 1091 HG1 THR A 119 22.059 -2.290 7.701 1.00 0.00 H ATOM 1092 H THR A 119 24.404 -0.587 7.018 1.00 0.00 H ATOM 1093 N GLU A 120 25.439 -3.614 6.415 1.00 7.44 N ATOM 1094 CA GLU A 120 25.301 -4.346 5.159 1.00 7.25 C ATOM 1095 C GLU A 120 24.809 -5.778 5.340 1.00 8.52 C ATOM 1096 O GLU A 120 24.284 -6.367 4.393 1.00 8.30 O ATOM 1097 CB GLU A 120 26.629 -4.352 4.393 1.00 7.87 C ATOM 1098 CG GLU A 120 27.710 -5.259 4.981 1.00 9.63 C ATOM 1099 CD GLU A 120 28.272 -4.739 6.292 1.00 8.75 C ATOM 1100 OE1 GLU A 120 28.274 -3.505 6.498 1.00 8.56 O ATOM 1101 OE2 GLU A 120 28.709 -5.569 7.112 1.00 9.54 O ATOM 1102 H GLU A 120 26.386 -3.330 6.739 1.00 0.00 H ATOM 1103 N TRP A 121 24.956 -6.333 6.543 1.00 7.04 N ATOM 1104 CA TRP A 121 24.485 -7.693 6.794 1.00 8.36 C ATOM 1105 C TRP A 121 22.950 -7.767 6.800 1.00 9.46 C ATOM 1106 O TRP A 121 22.381 -8.858 6.788 1.00 9.01 O ATOM 1107 CB TRP A 121 25.064 -8.240 8.108 1.00 8.85 C ATOM 1108 CG TRP A 121 24.641 -7.514 9.347 1.00 8.95 C ATOM 1109 CD1 TRP A 121 23.610 -7.844 10.178 1.00 8.85 C ATOM 1110 CD2 TRP A 121 25.254 -6.349 9.912 1.00 7.84 C ATOM 1111 NE1 TRP A 121 23.540 -6.953 11.223 1.00 8.61 N ATOM 1112 CE2 TRP A 121 24.536 -6.020 11.078 1.00 8.11 C ATOM 1113 CE3 TRP A 121 26.341 -5.547 9.540 1.00 8.48 C ATOM 1114 CZ2 TRP A 121 24.867 -4.923 11.880 1.00 9.45 C ATOM 1115 CZ3 TRP A 121 26.670 -4.460 10.339 1.00 8.20 C ATOM 1116 CH2 TRP A 121 25.933 -4.160 11.490 1.00 8.89 C ATOM 1117 HE1 TRP A 121 22.846 -6.981 11.997 1.00 0.00 H ATOM 1118 H TRP A 121 25.409 -5.794 7.308 1.00 0.00 H ATOM 1119 N LEU A 122 22.286 -6.613 6.780 1.00 6.99 N ATOM 1120 CA LEU A 122 20.828 -6.576 6.655 1.00 7.89 C ATOM 1121 C LEU A 122 20.368 -6.440 5.201 1.00 8.09 C ATOM 1122 O LEU A 122 19.168 -6.553 4.914 1.00 6.77 O ATOM 1123 CB LEU A 122 20.250 -5.434 7.494 1.00 6.87 C ATOM 1124 CG LEU A 122 20.620 -5.496 8.978 1.00 7.55 C ATOM 1125 CD1 LEU A 122 19.989 -4.343 9.727 1.00 7.78 C ATOM 1126 CD2 LEU A 122 20.196 -6.827 9.595 1.00 8.49 C ATOM 1127 H LEU A 122 22.814 -5.720 6.855 1.00 0.00 H ATOM 1128 N ASP A 123 21.308 -6.196 4.289 1.00 8.00 N ATOM 1129 CA ASP A 123 20.986 -6.081 2.863 1.00 8.07 C ATOM 1130 C ASP A 123 20.374 -7.382 2.360 1.00 9.05 C ATOM 1131 O ASP A 123 20.893 -8.467 2.640 1.00 10.42 O ATOM 1132 CB ASP A 123 22.230 -5.744 2.029 1.00 9.28 C ATOM 1133 CG ASP A 123 22.784 -4.368 2.324 1.00 10.77 C ATOM 1134 OD1 ASP A 123 22.080 -3.560 2.963 1.00 9.76 O ATOM 1135 OD2 ASP A 123 23.929 -4.083 1.901 1.00 11.33 O ATOM 1136 H ASP A 123 22.295 -6.084 4.596 1.00 0.00 H ATOM 1137 N GLY A 124 19.268 -7.269 1.632 1.00 10.22 N ATOM 1138 CA GLY A 124 18.587 -8.436 1.089 1.00 10.11 C ATOM 1139 C GLY A 124 17.674 -9.134 2.084 1.00 12.02 C ATOM 1140 O GLY A 124 17.056 -10.152 1.761 1.00 11.67 O ATOM 1141 H GLY A 124 18.879 -6.323 1.445 1.00 0.00 H ATOM 1142 N LYS A 125 17.603 -8.598 3.298 1.00 9.44 N ATOM 1143 CA LYS A 125 16.773 -9.166 4.357 1.00 9.08 C ATOM 1144 C LYS A 125 15.733 -8.154 4.843 1.00 10.14 C ATOM 1145 O LYS A 125 14.638 -8.526 5.257 1.00 11.44 O ATOM 1146 CB LYS A 125 17.644 -9.633 5.530 1.00 10.52 C ATOM 1147 CG LYS A 125 18.691 -10.682 5.166 1.00 13.78 C ATOM 1148 CD LYS A 125 19.559 -11.021 6.372 1.00 19.87 C ATOM 1149 CE LYS A 125 20.635 -12.037 6.022 1.00 35.62 C ATOM 1150 NZ LYS A 125 21.735 -11.432 5.220 1.00 42.83 N ATOM 1151 HZ1 LYS A 125 21.347 -11.051 4.334 1.00 0.00 H ATOM 1152 HZ2 LYS A 125 22.178 -10.664 5.764 1.00 0.00 H ATOM 1153 HZ3 LYS A 125 22.446 -12.160 5.004 1.00 0.00 H ATOM 1154 H LYS A 125 18.159 -7.743 3.501 1.00 0.00 H ATOM 1155 N HIS A 126 16.086 -6.873 4.800 1.00 7.94 N ATOM 1156 CA HIS A 126 15.164 -5.803 5.165 1.00 7.83 C ATOM 1157 C HIS A 126 15.038 -4.833 4.002 1.00 7.57 C ATOM 1158 O HIS A 126 16.036 -4.486 3.379 1.00 8.35 O ATOM 1159 CB HIS A 126 15.646 -5.081 6.427 1.00 6.72 C ATOM 1160 CG HIS A 126 15.691 -5.960 7.638 1.00 6.91 C ATOM 1161 ND1 HIS A 126 14.657 -6.029 8.544 1.00 7.21 N ATOM 1162 CD2 HIS A 126 16.637 -6.827 8.075 1.00 7.86 C ATOM 1163 CE1 HIS A 126 14.966 -6.894 9.496 1.00 7.58 C ATOM 1164 NE2 HIS A 126 16.166 -7.385 9.239 1.00 8.25 N ATOM 1165 H HIS A 126 17.050 -6.626 4.497 1.00 0.00 H ATOM 1166 N VAL A 127 13.813 -4.415 3.696 1.00 7.05 N ATOM 1167 CA VAL A 127 13.581 -3.504 2.588 1.00 6.77 C ATOM 1168 C VAL A 127 13.863 -2.059 2.990 1.00 6.48 C ATOM 1169 O VAL A 127 13.190 -1.488 3.859 1.00 6.97 O ATOM 1170 CB VAL A 127 12.141 -3.607 2.070 1.00 7.79 C ATOM 1171 CG1 VAL A 127 11.904 -2.587 0.962 1.00 7.78 C ATOM 1172 CG2 VAL A 127 11.863 -5.025 1.581 1.00 8.60 C ATOM 1173 H VAL A 127 13.005 -4.747 4.261 1.00 0.00 H ATOM 1174 N VAL A 128 14.874 -1.480 2.350 1.00 7.72 N ATOM 1175 CA VAL A 128 15.220 -0.078 2.522 1.00 7.68 C ATOM 1176 C VAL A 128 14.283 0.778 1.673 1.00 8.19 C ATOM 1177 O VAL A 128 14.084 0.487 0.489 1.00 7.96 O ATOM 1178 CB VAL A 128 16.679 0.174 2.113 1.00 7.19 C ATOM 1179 CG1 VAL A 128 16.997 1.664 2.114 1.00 7.67 C ATOM 1180 CG2 VAL A 128 17.625 -0.607 3.029 1.00 8.08 C ATOM 1181 H VAL A 128 15.443 -2.055 1.697 1.00 0.00 H ATOM 1182 N PHE A 129 13.698 1.819 2.265 1.00 5.60 N ATOM 1183 CA PHE A 129 12.688 2.598 1.543 1.00 6.92 C ATOM 1184 C PHE A 129 12.743 4.105 1.790 1.00 7.61 C ATOM 1185 O PHE A 129 11.887 4.840 1.305 1.00 7.44 O ATOM 1186 CB PHE A 129 11.283 2.073 1.885 1.00 6.70 C ATOM 1187 CG PHE A 129 10.865 2.306 3.315 1.00 5.20 C ATOM 1188 CD1 PHE A 129 11.210 1.400 4.308 1.00 5.53 C ATOM 1189 CD2 PHE A 129 10.104 3.413 3.656 1.00 5.95 C ATOM 1190 CE1 PHE A 129 10.825 1.610 5.624 1.00 6.19 C ATOM 1191 CE2 PHE A 129 9.711 3.627 4.965 1.00 7.00 C ATOM 1192 CZ PHE A 129 10.073 2.722 5.953 1.00 5.51 C ATOM 1193 H PHE A 129 13.958 2.078 3.238 1.00 0.00 H ATOM 1194 N GLY A 130 13.754 4.574 2.517 1.00 6.20 N ATOM 1195 CA GLY A 130 13.869 5.995 2.771 1.00 7.02 C ATOM 1196 C GLY A 130 15.167 6.383 3.450 1.00 6.11 C ATOM 1197 O GLY A 130 16.031 5.538 3.699 1.00 6.79 O ATOM 1198 H GLY A 130 14.463 3.919 2.904 1.00 0.00 H ATOM 1199 N LYS A 131 15.300 7.670 3.747 1.00 6.72 N ATOM 1200 CA LYS A 131 16.469 8.184 4.448 1.00 6.97 C ATOM 1201 C LYS A 131 16.101 9.452 5.207 1.00 7.91 C ATOM 1202 O LYS A 131 15.253 10.233 4.765 1.00 9.60 O ATOM 1203 CB LYS A 131 17.614 8.465 3.467 1.00 10.03 C ATOM 1204 CG LYS A 131 18.978 8.673 4.120 1.00 15.96 C ATOM 1205 CD LYS A 131 20.055 8.999 3.083 1.00 23.88 C ATOM 1206 CE LYS A 131 20.289 7.838 2.129 1.00 37.51 C ATOM 1207 NZ LYS A 131 21.411 8.116 1.185 1.00 38.93 N ATOM 1208 HZ1 LYS A 131 21.188 8.962 0.623 1.00 0.00 H ATOM 1209 HZ2 LYS A 131 22.285 8.278 1.725 1.00 0.00 H ATOM 1210 HZ3 LYS A 131 21.539 7.301 0.551 1.00 0.00 H ATOM 1211 H LYS A 131 14.547 8.332 3.471 1.00 0.00 H ATOM 1212 N VAL A 132 16.728 9.656 6.361 1.00 6.52 N ATOM 1213 CA VAL A 132 16.578 10.906 7.089 1.00 7.57 C ATOM 1214 C VAL A 132 17.018 12.084 6.222 1.00 8.07 C ATOM 1215 O VAL A 132 18.105 12.067 5.640 1.00 9.14 O ATOM 1216 CB VAL A 132 17.385 10.875 8.395 1.00 7.72 C ATOM 1217 CG1 VAL A 132 17.393 12.253 9.057 1.00 8.70 C ATOM 1218 CG2 VAL A 132 16.814 9.804 9.339 1.00 6.59 C ATOM 1219 H VAL A 132 17.337 8.908 6.750 1.00 0.00 H ATOM 1220 N LYS A 133 16.139 13.080 6.138 1.00 8.00 N ATOM 1221 CA LYS A 133 16.354 14.299 5.370 1.00 9.99 C ATOM 1222 C LYS A 133 16.839 15.453 6.255 1.00 12.21 C ATOM 1223 O LYS A 133 17.688 16.251 5.857 1.00 15.72 O ATOM 1224 CB LYS A 133 15.046 14.684 4.670 1.00 13.26 C ATOM 1225 CG LYS A 133 15.154 15.847 3.719 1.00 20.99 C ATOM 1226 CD LYS A 133 13.830 16.072 3.015 1.00 16.54 C ATOM 1227 CE LYS A 133 13.881 17.320 2.150 1.00 25.55 C ATOM 1228 NZ LYS A 133 12.595 17.548 1.433 1.00 40.47 N ATOM 1229 HZ1 LYS A 133 12.392 16.733 0.820 1.00 0.00 H ATOM 1230 HZ2 LYS A 133 11.828 17.661 2.126 1.00 0.00 H ATOM 1231 HZ3 LYS A 133 12.670 18.409 0.854 1.00 0.00 H ATOM 1232 H LYS A 133 15.241 12.982 6.654 1.00 0.00 H ATOM 1233 N GLU A 134 16.268 15.542 7.449 1.00 9.31 N ATOM 1234 CA GLU A 134 16.621 16.561 8.426 1.00 9.90 C ATOM 1235 C GLU A 134 16.430 15.964 9.815 1.00 10.21 C ATOM 1236 O GLU A 134 15.578 15.095 10.005 1.00 7.76 O ATOM 1237 CB GLU A 134 15.763 17.817 8.241 1.00 13.84 C ATOM 1238 CG GLU A 134 16.137 18.976 9.144 1.00 23.99 C ATOM 1239 CD GLU A 134 15.262 20.195 8.914 1.00 48.27 C ATOM 1240 OE1 GLU A 134 14.562 20.244 7.876 1.00 28.41 O ATOM 1241 OE2 GLU A 134 15.271 21.102 9.775 1.00 45.34 O ATOM 1242 H GLU A 134 15.533 14.850 7.699 1.00 0.00 H ATOM 1243 N GLY A 135 17.238 16.395 10.778 1.00 9.81 N ATOM 1244 CA GLY A 135 17.080 15.928 12.142 1.00 9.39 C ATOM 1245 C GLY A 135 17.911 14.710 12.503 1.00 9.16 C ATOM 1246 O GLY A 135 17.598 14.001 13.457 1.00 8.56 O ATOM 1247 H GLY A 135 17.992 17.075 10.551 1.00 0.00 H ATOM 1248 N MET A 136 18.988 14.460 11.765 1.00 9.56 N ATOM 1249 CA MET A 136 19.870 13.373 12.150 1.00 9.92 C ATOM 1250 C MET A 136 20.473 13.645 13.536 1.00 11.05 C ATOM 1251 O MET A 136 20.793 12.708 14.267 1.00 10.72 O ATOM 1252 CB MET A 136 20.969 13.161 11.109 1.00 11.93 C ATOM 1253 CG MET A 136 21.616 11.790 11.202 1.00 19.58 C ATOM 1254 SD MET A 136 20.467 10.410 10.948 1.00 12.20 S ATOM 1255 CE MET A 136 21.383 9.112 11.769 1.00 15.05 C ATOM 1256 H MET A 136 19.196 15.035 10.924 1.00 0.00 H ATOM 1257 N ASN A 137 20.596 14.917 13.920 1.00 10.16 N ATOM 1258 CA ASN A 137 21.061 15.217 15.271 1.00 10.54 C ATOM 1259 C ASN A 137 20.047 14.782 16.336 1.00 8.72 C ATOM 1260 O ASN A 137 20.414 14.455 17.465 1.00 8.65 O ATOM 1261 CB ASN A 137 21.397 16.708 15.421 1.00 10.68 C ATOM 1262 CG ASN A 137 20.180 17.602 15.354 1.00 13.38 C ATOM 1263 OD1 ASN A 137 19.323 17.457 14.477 1.00 13.30 O ATOM 1264 ND2 ASN A 137 20.095 18.546 16.292 1.00 15.25 N ATOM 1265 HD22 ASN A 137 20.840 18.632 17.012 1.00 0.00 H ATOM 1266 HD21 ASN A 137 19.283 19.196 16.303 1.00 0.00 H ATOM 1267 H ASN A 137 20.363 15.688 13.262 1.00 0.00 H ATOM 1268 N ILE A 138 18.768 14.759 15.974 1.00 8.55 N ATOM 1269 CA ILE A 138 17.742 14.252 16.879 1.00 8.90 C ATOM 1270 C ILE A 138 17.851 12.728 17.045 1.00 7.88 C ATOM 1271 O ILE A 138 17.718 12.207 18.153 1.00 7.36 O ATOM 1272 CB ILE A 138 16.339 14.625 16.378 1.00 6.54 C ATOM 1273 CG1 ILE A 138 16.198 16.150 16.271 1.00 7.85 C ATOM 1274 CG2 ILE A 138 15.261 14.031 17.281 1.00 7.45 C ATOM 1275 CD1 ILE A 138 16.585 16.911 17.536 1.00 8.34 C ATOM 1276 H ILE A 138 18.495 15.107 15.033 1.00 0.00 H ATOM 1277 N VAL A 139 18.108 12.023 15.947 1.00 7.64 N ATOM 1278 CA VAL A 139 18.331 10.580 16.005 1.00 8.45 C ATOM 1279 C VAL A 139 19.550 10.267 16.871 1.00 10.07 C ATOM 1280 O VAL A 139 19.537 9.328 17.663 1.00 9.27 O ATOM 1281 CB VAL A 139 18.518 9.988 14.593 1.00 7.38 C ATOM 1282 CG1 VAL A 139 18.816 8.493 14.671 1.00 9.68 C ATOM 1283 CG2 VAL A 139 17.279 10.237 13.747 1.00 8.14 C ATOM 1284 H VAL A 139 18.151 12.509 15.028 1.00 0.00 H ATOM 1285 N GLU A 140 20.599 11.071 16.731 1.00 10.27 N ATOM 1286 CA GLU A 140 21.786 10.883 17.551 1.00 10.06 C ATOM 1287 C GLU A 140 21.488 11.147 19.028 1.00 10.53 C ATOM 1288 O GLU A 140 21.977 10.423 19.896 1.00 10.88 O ATOM 1289 CB GLU A 140 22.931 11.775 17.058 1.00 11.91 C ATOM 1290 CG GLU A 140 23.465 11.356 15.687 1.00 18.41 C ATOM 1291 CD GLU A 140 24.466 12.341 15.117 1.00 39.69 C ATOM 1292 OE1 GLU A 140 24.665 13.414 15.728 1.00 50.63 O ATOM 1293 OE2 GLU A 140 25.049 12.043 14.053 1.00 45.73 O ATOM 1294 H GLU A 140 20.571 11.839 16.031 1.00 0.00 H ATOM 1295 N ALA A 141 20.678 12.168 19.315 1.00 9.24 N ATOM 1296 CA ALA A 141 20.252 12.424 20.688 1.00 9.69 C ATOM 1297 C ALA A 141 19.459 11.231 21.245 1.00 10.81 C ATOM 1298 O ALA A 141 19.635 10.843 22.401 1.00 9.78 O ATOM 1299 CB ALA A 141 19.428 13.716 20.766 1.00 10.16 C ATOM 1300 H ALA A 141 20.346 12.790 18.550 1.00 0.00 H ATOM 1301 N MET A 142 18.600 10.640 20.416 1.00 8.80 N ATOM 1302 CA MET A 142 17.824 9.475 20.828 1.00 8.74 C ATOM 1303 C MET A 142 18.713 8.331 21.309 1.00 9.66 C ATOM 1304 O MET A 142 18.340 7.593 22.215 1.00 9.45 O ATOM 1305 CB MET A 142 16.936 8.992 19.681 1.00 9.02 C ATOM 1306 CG MET A 142 15.784 9.935 19.367 1.00 8.09 C ATOM 1307 SD MET A 142 14.998 9.579 17.779 1.00 10.53 S ATOM 1308 CE MET A 142 14.397 7.918 18.070 1.00 10.30 C ATOM 1309 H MET A 142 18.480 11.017 19.454 1.00 0.00 H ATOM 1310 N GLU A 143 19.895 8.198 20.718 1.00 10.21 N ATOM 1311 CA GLU A 143 20.796 7.114 21.105 1.00 10.49 C ATOM 1312 C GLU A 143 21.247 7.189 22.567 1.00 12.37 C ATOM 1313 O GLU A 143 21.604 6.173 23.153 1.00 13.16 O ATOM 1314 CB GLU A 143 22.022 7.085 20.183 1.00 11.44 C ATOM 1315 CG GLU A 143 21.702 6.704 18.756 1.00 12.48 C ATOM 1316 CD GLU A 143 22.947 6.518 17.907 1.00 15.33 C ATOM 1317 OE1 GLU A 143 23.638 7.522 17.623 1.00 21.43 O ATOM 1318 OE2 GLU A 143 23.232 5.365 17.524 1.00 15.42 O ATOM 1319 H GLU A 143 20.181 8.868 19.976 1.00 0.00 H ATOM 1320 N ARG A 144 21.235 8.378 23.167 1.00 11.11 N ATOM 1321 CA ARG A 144 21.652 8.488 24.566 1.00 12.80 C ATOM 1322 C ARG A 144 20.713 7.706 25.487 1.00 13.82 C ATOM 1323 O ARG A 144 21.098 7.275 26.581 1.00 17.88 O ATOM 1324 CB ARG A 144 21.737 9.955 25.010 1.00 18.46 C ATOM 1325 CG ARG A 144 21.273 10.202 26.449 1.00 25.21 C ATOM 1326 CD ARG A 144 21.728 11.538 27.001 1.00 37.02 C ATOM 1327 NE ARG A 144 21.694 11.571 28.463 1.00 38.80 N ATOM 1328 CZ ARG A 144 22.079 12.614 29.194 1.00 44.39 C ATOM 1329 NH1 ARG A 144 22.545 13.705 28.602 1.00 52.44 N ATOM 1330 NH2 ARG A 144 22.015 12.565 30.518 1.00 53.79 N ATOM 1331 HE ARG A 144 21.347 10.727 28.962 1.00 0.00 H ATOM 1332 HH12 ARG A 144 22.846 14.519 29.175 1.00 0.00 H ATOM 1333 HH11 ARG A 144 22.610 13.746 27.565 1.00 0.00 H ATOM 1334 HH22 ARG A 144 22.317 13.383 31.084 1.00 0.00 H ATOM 1335 HH21 ARG A 144 21.662 11.708 30.990 1.00 0.00 H ATOM 1336 H ARG A 144 20.931 9.224 22.644 1.00 0.00 H ATOM 1337 N PHE A 145 19.486 7.485 25.031 1.00 11.38 N ATOM 1338 CA PHE A 145 18.486 6.819 25.853 1.00 10.70 C ATOM 1339 C PHE A 145 18.362 5.340 25.515 1.00 10.08 C ATOM 1340 O PHE A 145 17.465 4.665 26.000 1.00 11.51 O ATOM 1341 CB PHE A 145 17.146 7.534 25.709 1.00 11.33 C ATOM 1342 CG PHE A 145 17.248 9.006 25.947 1.00 10.96 C ATOM 1343 CD1 PHE A 145 17.371 9.495 27.238 1.00 12.95 C ATOM 1344 CD2 PHE A 145 17.261 9.897 24.887 1.00 12.60 C ATOM 1345 CE1 PHE A 145 17.492 10.854 27.473 1.00 12.46 C ATOM 1346 CE2 PHE A 145 17.380 11.259 25.116 1.00 11.42 C ATOM 1347 CZ PHE A 145 17.498 11.734 26.413 1.00 12.52 C ATOM 1348 H PHE A 145 19.235 7.793 24.070 1.00 0.00 H ATOM 1349 N GLY A 146 19.295 4.848 24.704 1.00 10.96 N ATOM 1350 CA GLY A 146 19.333 3.435 24.362 1.00 10.83 C ATOM 1351 C GLY A 146 20.326 2.673 25.220 1.00 13.44 C ATOM 1352 O GLY A 146 20.908 3.225 26.157 1.00 15.19 O ATOM 1353 H GLY A 146 20.012 5.487 24.306 1.00 0.00 H ATOM 1354 N SER A 147 20.525 1.401 24.887 1.00 9.55 N ATOM 1355 CA SER A 147 21.419 0.527 25.644 1.00 10.00 C ATOM 1356 C SER A 147 21.894 -0.603 24.746 1.00 10.70 C ATOM 1357 O SER A 147 21.412 -0.754 23.623 1.00 9.40 O ATOM 1358 CB SER A 147 20.714 -0.037 26.880 1.00 11.19 C ATOM 1359 OG SER A 147 19.617 -0.863 26.517 1.00 12.65 O ATOM 1360 HG SER A 147 18.964 -0.332 25.996 1.00 0.00 H ATOM 1361 H SER A 147 20.027 1.015 24.059 1.00 0.00 H ATOM 1362 N ARG A 148 22.823 -1.408 25.256 1.00 10.62 N ATOM 1363 CA ARG A 148 23.406 -2.504 24.486 1.00 14.20 C ATOM 1364 C ARG A 148 22.359 -3.461 23.926 1.00 11.88 C ATOM 1365 O ARG A 148 22.408 -3.835 22.752 1.00 12.59 O ATOM 1366 CB ARG A 148 24.404 -3.280 25.354 1.00 17.95 C ATOM 1367 CG ARG A 148 25.113 -4.411 24.632 1.00 21.27 C ATOM 1368 CD ARG A 148 26.045 -5.174 25.572 1.00 19.58 C ATOM 1369 NE ARG A 148 27.301 -4.475 25.838 1.00 37.45 N ATOM 1370 CZ ARG A 148 27.551 -3.770 26.936 1.00 30.39 C ATOM 1371 NH1 ARG A 148 26.625 -3.654 27.879 1.00 29.04 N ATOM 1372 NH2 ARG A 148 28.726 -3.176 27.092 1.00 30.13 N ATOM 1373 HE ARG A 148 28.050 -4.534 25.119 1.00 0.00 H ATOM 1374 HH12 ARG A 148 26.823 -3.102 28.737 1.00 0.00 H ATOM 1375 HH11 ARG A 148 25.701 -4.116 27.760 1.00 0.00 H ATOM 1376 HH22 ARG A 148 28.920 -2.625 27.952 1.00 0.00 H ATOM 1377 HH21 ARG A 148 29.454 -3.261 26.354 1.00 0.00 H ATOM 1378 H ARG A 148 23.144 -1.252 26.233 1.00 0.00 H ATOM 1379 N ASN A 149 21.409 -3.857 24.763 1.00 9.81 N ATOM 1380 CA ASN A 149 20.385 -4.798 24.328 1.00 9.15 C ATOM 1381 C ASN A 149 19.148 -4.109 23.766 1.00 11.06 C ATOM 1382 O ASN A 149 18.224 -4.780 23.307 1.00 12.12 O ATOM 1383 CB ASN A 149 19.987 -5.724 25.475 1.00 9.12 C ATOM 1384 CG ASN A 149 21.107 -6.670 25.872 1.00 9.09 C ATOM 1385 OD1 ASN A 149 22.111 -6.791 25.172 1.00 9.34 O ATOM 1386 ND2 ASN A 149 20.923 -7.362 26.983 1.00 9.35 N ATOM 1387 HD22 ASN A 149 20.057 -7.226 27.543 1.00 0.00 H ATOM 1388 HD21 ASN A 149 21.644 -8.043 27.297 1.00 0.00 H ATOM 1389 H ASN A 149 21.395 -3.493 25.737 1.00 0.00 H ATOM 1390 N GLY A 150 19.128 -2.778 23.807 1.00 9.70 N ATOM 1391 CA GLY A 150 18.080 -2.013 23.143 1.00 9.97 C ATOM 1392 C GLY A 150 17.007 -1.399 24.031 1.00 10.09 C ATOM 1393 O GLY A 150 16.263 -0.518 23.591 1.00 9.08 O ATOM 1394 H GLY A 150 19.876 -2.274 24.324 1.00 0.00 H ATOM 1395 N LYS A 151 16.917 -1.859 25.274 1.00 11.09 N ATOM 1396 CA LYS A 151 15.959 -1.302 26.229 1.00 15.08 C ATOM 1397 C LYS A 151 16.234 0.190 26.412 1.00 12.18 C ATOM 1398 O LYS A 151 17.381 0.597 26.577 1.00 13.10 O ATOM 1399 CB LYS A 151 16.054 -2.036 27.570 1.00 19.33 C ATOM 1400 CG LYS A 151 15.210 -1.468 28.700 1.00 30.28 C ATOM 1401 CD LYS A 151 13.730 -1.495 28.375 1.00 29.03 C ATOM 1402 CE LYS A 151 12.891 -1.437 29.649 1.00 48.57 C ATOM 1403 NZ LYS A 151 13.714 -1.124 30.853 1.00 43.18 N ATOM 1404 HZ1 LYS A 151 14.439 -1.859 30.977 1.00 0.00 H ATOM 1405 HZ2 LYS A 151 14.174 -0.200 30.726 1.00 0.00 H ATOM 1406 HZ3 LYS A 151 13.101 -1.095 31.693 1.00 0.00 H ATOM 1407 H LYS A 151 17.542 -2.633 25.575 1.00 0.00 H ATOM 1408 N THR A 152 15.189 1.012 26.358 1.00 11.88 N ATOM 1409 CA THR A 152 15.377 2.458 26.496 1.00 12.96 C ATOM 1410 C THR A 152 15.252 2.903 27.957 1.00 12.90 C ATOM 1411 O THR A 152 14.480 2.325 28.723 1.00 14.60 O ATOM 1412 CB THR A 152 14.379 3.248 25.621 1.00 12.94 C ATOM 1413 OG1 THR A 152 13.036 2.960 26.024 1.00 13.31 O ATOM 1414 CG2 THR A 152 14.554 2.888 24.144 1.00 12.28 C ATOM 1415 HG1 THR A 152 12.406 3.471 25.457 1.00 0.00 H ATOM 1416 H THR A 152 14.234 0.626 26.217 1.00 0.00 H ATOM 1417 N SER A 153 16.022 3.927 28.327 1.00 12.22 N ATOM 1418 CA SER A 153 16.066 4.417 29.708 1.00 16.84 C ATOM 1419 C SER A 153 15.035 5.515 29.961 1.00 23.83 C ATOM 1420 O SER A 153 14.792 5.897 31.106 1.00 19.67 O ATOM 1421 CB SER A 153 17.466 4.931 30.052 1.00 14.93 C ATOM 1422 OG SER A 153 17.868 5.968 29.177 1.00 16.41 O ATOM 1423 HG SER A 153 18.775 6.276 29.427 1.00 0.00 H ATOM 1424 H SER A 153 16.613 4.395 27.610 1.00 0.00 H ATOM 1425 N LYS A 154 14.456 6.030 28.881 1.00 16.39 N ATOM 1426 CA LYS A 154 13.326 6.952 28.941 1.00 16.99 C ATOM 1427 C LYS A 154 12.315 6.523 27.886 1.00 14.84 C ATOM 1428 O LYS A 154 12.655 5.780 26.962 1.00 14.44 O ATOM 1429 CB LYS A 154 13.762 8.399 28.691 1.00 15.87 C ATOM 1430 CG LYS A 154 14.860 8.906 29.612 1.00 21.36 C ATOM 1431 CD LYS A 154 14.313 9.323 30.958 1.00 28.64 C ATOM 1432 CE LYS A 154 15.401 9.944 31.815 1.00 28.26 C ATOM 1433 NZ LYS A 154 16.109 11.030 31.086 1.00 36.89 N ATOM 1434 HZ1 LYS A 154 16.546 10.641 30.226 1.00 0.00 H ATOM 1435 HZ2 LYS A 154 15.428 11.772 30.825 1.00 0.00 H ATOM 1436 HZ3 LYS A 154 16.846 11.434 31.699 1.00 0.00 H ATOM 1437 H LYS A 154 14.827 5.763 27.947 1.00 0.00 H ATOM 1438 N LYS A 155 11.078 6.982 28.021 1.00 15.07 N ATOM 1439 CA LYS A 155 10.043 6.697 27.037 1.00 12.23 C ATOM 1440 C LYS A 155 10.231 7.617 25.835 1.00 11.51 C ATOM 1441 O LYS A 155 10.091 8.833 25.944 1.00 10.80 O ATOM 1442 CB LYS A 155 8.658 6.874 27.657 1.00 16.79 C ATOM 1443 CG LYS A 155 7.529 6.123 26.973 1.00 32.83 C ATOM 1444 CD LYS A 155 6.194 6.499 27.610 1.00 45.69 C ATOM 1445 CE LYS A 155 5.112 5.465 27.340 1.00 44.34 C ATOM 1446 NZ LYS A 155 4.887 5.236 25.885 1.00 38.06 N ATOM 1447 HZ1 LYS A 155 4.596 6.128 25.436 1.00 0.00 H ATOM 1448 HZ2 LYS A 155 5.768 4.898 25.448 1.00 0.00 H ATOM 1449 HZ3 LYS A 155 4.140 4.523 25.759 1.00 0.00 H ATOM 1450 H LYS A 155 10.841 7.561 28.852 1.00 0.00 H ATOM 1451 N ILE A 156 10.570 7.027 24.693 1.00 9.57 N ATOM 1452 CA ILE A 156 10.851 7.781 23.477 1.00 8.15 C ATOM 1453 C ILE A 156 9.687 7.613 22.523 1.00 9.72 C ATOM 1454 O ILE A 156 9.491 6.529 21.964 1.00 9.94 O ATOM 1455 CB ILE A 156 12.146 7.300 22.797 1.00 7.51 C ATOM 1456 CG1 ILE A 156 13.287 7.208 23.819 1.00 9.35 C ATOM 1457 CG2 ILE A 156 12.515 8.202 21.617 1.00 8.61 C ATOM 1458 CD1 ILE A 156 13.607 8.530 24.496 1.00 11.47 C ATOM 1459 H ILE A 156 10.637 5.990 24.666 1.00 0.00 H ATOM 1460 N THR A 157 8.913 8.675 22.338 1.00 7.74 N ATOM 1461 CA THR A 157 7.657 8.563 21.616 1.00 8.48 C ATOM 1462 C THR A 157 7.587 9.457 20.392 1.00 7.93 C ATOM 1463 O THR A 157 8.296 10.464 20.284 1.00 7.79 O ATOM 1464 CB THR A 157 6.460 8.903 22.524 1.00 10.40 C ATOM 1465 OG1 THR A 157 6.608 10.233 23.032 1.00 10.48 O ATOM 1466 CG2 THR A 157 6.367 7.920 23.689 1.00 11.97 C ATOM 1467 HG1 THR A 157 5.838 10.450 23.615 1.00 0.00 H ATOM 1468 H THR A 157 9.209 9.598 22.714 1.00 0.00 H ATOM 1469 N ILE A 158 6.726 9.065 19.463 1.00 7.59 N ATOM 1470 CA ILE A 158 6.357 9.905 18.337 1.00 7.14 C ATOM 1471 C ILE A 158 5.143 10.721 18.772 1.00 8.06 C ATOM 1472 O ILE A 158 4.011 10.249 18.711 1.00 8.89 O ATOM 1473 CB ILE A 158 6.056 9.058 17.079 1.00 7.06 C ATOM 1474 CG1 ILE A 158 7.304 8.255 16.688 1.00 7.58 C ATOM 1475 CG2 ILE A 158 5.578 9.937 15.919 1.00 7.49 C ATOM 1476 CD1 ILE A 158 7.063 7.187 15.634 1.00 7.19 C ATOM 1477 H ILE A 158 6.299 8.120 19.544 1.00 0.00 H ATOM 1478 N ALA A 159 5.397 11.930 19.262 1.00 8.78 N ATOM 1479 CA ALA A 159 4.334 12.758 19.830 1.00 8.69 C ATOM 1480 C ALA A 159 3.368 13.214 18.747 1.00 10.91 C ATOM 1481 O ALA A 159 2.169 13.369 18.983 1.00 12.50 O ATOM 1482 CB ALA A 159 4.928 13.952 20.553 1.00 11.93 C ATOM 1483 H ALA A 159 6.371 12.294 19.241 1.00 0.00 H ATOM 1484 N ASP A 160 3.905 13.423 17.554 1.00 10.05 N ATOM 1485 CA ASP A 160 3.119 13.857 16.414 1.00 11.18 C ATOM 1486 C ASP A 160 3.862 13.443 15.151 1.00 10.45 C ATOM 1487 O ASP A 160 5.075 13.223 15.187 1.00 9.10 O ATOM 1488 CB ASP A 160 2.893 15.373 16.457 1.00 13.50 C ATOM 1489 CG ASP A 160 1.839 15.836 15.471 1.00 23.21 C ATOM 1490 OD1 ASP A 160 0.993 15.010 15.080 1.00 20.46 O ATOM 1491 OD2 ASP A 160 1.845 17.030 15.098 1.00 29.35 O ATOM 1492 H ASP A 160 4.926 13.271 17.430 1.00 0.00 H ATOM 1493 N CYS A 161 3.139 13.311 14.045 1.00 8.88 N ATOM 1494 CA CYS A 161 3.761 12.951 12.778 1.00 7.14 C ATOM 1495 C CYS A 161 2.830 13.310 11.638 1.00 7.79 C ATOM 1496 O CYS A 161 1.642 13.550 11.853 1.00 9.57 O ATOM 1497 CB CYS A 161 4.140 11.455 12.746 1.00 7.61 C ATOM 1498 SG CYS A 161 2.861 10.262 13.259 1.00 8.23 S ATOM 1499 H CYS A 161 2.112 13.467 14.084 1.00 0.00 H ATOM 1500 N GLY A 162 3.370 13.361 10.429 1.00 6.47 N ATOM 1501 CA GLY A 162 2.557 13.721 9.284 1.00 8.24 C ATOM 1502 C GLY A 162 3.370 13.864 8.019 1.00 8.17 C ATOM 1503 O GLY A 162 4.542 13.496 7.979 1.00 8.42 O ATOM 1504 H GLY A 162 4.379 13.142 10.301 1.00 0.00 H ATOM 1505 N GLN A 163 2.738 14.393 6.978 1.00 8.99 N ATOM 1506 CA GLN A 163 3.403 14.603 5.699 1.00 9.48 C ATOM 1507 C GLN A 163 3.652 16.087 5.450 1.00 10.86 C ATOM 1508 O GLN A 163 2.794 16.923 5.749 1.00 12.01 O ATOM 1509 CB GLN A 163 2.569 14.006 4.563 1.00 9.16 C ATOM 1510 CG GLN A 163 3.203 14.163 3.192 1.00 11.76 C ATOM 1511 CD GLN A 163 2.446 13.412 2.121 1.00 11.64 C ATOM 1512 OE1 GLN A 163 1.386 12.834 2.376 1.00 12.53 O ATOM 1513 NE2 GLN A 163 2.981 13.421 0.914 1.00 11.43 N ATOM 1514 HE22 GLN A 163 3.877 13.922 0.746 1.00 0.00 H ATOM 1515 HE21 GLN A 163 2.507 12.927 0.131 1.00 0.00 H ATOM 1516 H GLN A 163 1.739 14.665 7.079 1.00 0.00 H ATOM 1517 N LEU A 164 4.829 16.406 4.917 1.00 11.98 N ATOM 1518 CA LEU A 164 5.178 17.782 4.570 1.00 12.68 C ATOM 1519 C LEU A 164 4.844 18.057 3.109 1.00 19.32 C ATOM 1520 O LEU A 164 4.099 18.989 2.799 1.00 32.02 O ATOM 1521 CB LEU A 164 6.663 18.049 4.836 1.00 13.97 C ATOM 1522 CG LEU A 164 7.147 17.916 6.282 1.00 15.25 C ATOM 1523 CD1 LEU A 164 8.656 18.094 6.359 1.00 21.43 C ATOM 1524 CD2 LEU A 164 6.439 18.914 7.190 1.00 18.10 C ATOM 1525 H LEU A 164 5.523 15.651 4.742 1.00 0.00 H TER 1526 LEU A 164 HETATM 1527 O HOH 1 0.046 13.238 14.640 1.00 22.75 O HETATM 1528 O HOH 2 1.642 18.542 13.472 1.00 32.94 O HETATM 1529 O HOH 3 25.227 -4.050 29.778 1.00 29.43 O HETATM 1530 O HOH 4 0.274 -7.111 11.221 1.00 23.27 O HETATM 1531 O HOH 5 20.903 -5.378 -2.690 1.00 43.80 O HETATM 1532 O HOH 6 24.322 6.188 2.805 1.00 25.29 O HETATM 1533 O HOH 7 11.031 -13.659 14.795 1.00 24.66 O HETATM 1534 O HOH 8 0.317 4.858 17.533 1.00 24.36 O HETATM 1535 O HOH 9 18.824 16.722 3.618 1.00 22.89 O HETATM 1536 O HOH 10 13.520 13.623 -3.942 1.00 23.12 O HETATM 1537 O HOH 11 28.374 2.765 2.334 1.00 29.83 O HETATM 1538 O HOH 12 -3.021 4.410 0.479 1.00 19.06 O HETATM 1539 O HOH 13 28.928 -8.148 6.649 1.00 16.54 O HETATM 1540 O HOH 14 20.989 3.991 17.281 1.00 14.84 O HETATM 1541 O HOH 15 7.222 4.029 16.953 1.00 11.94 O HETATM 1542 O HOH 16 5.156 21.087 1.547 1.00 31.80 O HETATM 1543 O HOH 17 22.407 5.444 0.203 1.00 26.65 O HETATM 1544 O HOH 18 17.565 -11.272 -0.617 1.00 19.17 O HETATM 1545 O HOH 19 -6.103 7.118 2.496 1.00 24.91 O HETATM 1546 O HOH 20 0.183 -4.601 -4.182 1.00 38.78 O HETATM 1547 O HOH 21 11.575 -6.109 4.905 1.00 7.68 O HETATM 1548 O HOH 22 12.758 11.720 32.719 1.00 29.31 O HETATM 1549 O HOH 23 7.411 -4.210 9.682 1.00 8.77 O HETATM 1550 O HOH 24 6.987 -2.164 -6.729 1.00 19.81 O HETATM 1551 O HOH 25 13.802 -3.190 23.998 1.00 27.47 O HETATM 1552 O HOH 26 6.655 21.365 27.675 1.00 16.65 O HETATM 1553 O HOH 27 -1.176 -6.655 16.105 1.00 23.78 O HETATM 1554 O HOH 28 16.027 -2.774 0.047 1.00 33.57 O HETATM 1555 O HOH 29 20.682 11.236 5.684 1.00 25.52 O HETATM 1556 O HOH 30 25.584 -5.981 0.898 1.00 18.37 O HETATM 1557 O HOH 31 4.500 1.760 20.753 1.00 15.29 O HETATM 1558 O HOH 32 4.322 5.402 -3.193 1.00 16.56 O HETATM 1559 O HOH 33 4.404 11.752 23.488 1.00 21.31 O HETATM 1560 O HOH 34 -2.114 -8.506 4.992 1.00 28.03 O HETATM 1561 O HOH 35 -2.354 2.905 18.379 1.00 33.59 O HETATM 1562 O HOH 36 25.824 8.014 12.985 1.00 24.11 O HETATM 1563 O HOH 37 6.407 0.743 4.907 1.00 10.27 O HETATM 1564 O HOH 38 -8.892 7.293 4.707 1.00 24.98 O HETATM 1565 O HOH 39 12.355 20.190 25.362 1.00 15.27 O HETATM 1566 O HOH 40 18.446 8.052 30.841 1.00 27.40 O HETATM 1567 O HOH 41 -4.576 0.277 1.615 1.00 19.56 O HETATM 1568 O HOH 42 7.133 0.423 18.894 1.00 9.98 O HETATM 1569 O HOH 43 17.656 -9.069 10.793 1.00 16.75 O HETATM 1570 O HOH 44 20.458 3.041 0.089 1.00 16.42 O HETATM 1571 O HOH 45 14.876 -10.636 7.883 1.00 21.92 O HETATM 1572 O HOH 46 23.123 -5.569 20.761 1.00 15.60 O HETATM 1573 O HOH 47 19.773 -10.173 14.683 1.00 15.30 O HETATM 1574 O HOH 48 -3.047 5.535 8.496 1.00 9.84 O HETATM 1575 O HOH 49 29.280 -2.225 8.705 1.00 12.53 O HETATM 1576 O HOH 50 21.776 15.511 30.523 1.00 21.20 O HETATM 1577 O HOH 51 6.332 20.716 31.234 1.00 16.94 O HETATM 1578 O HOH 52 8.259 9.148 -6.375 1.00 28.92 O HETATM 1579 O HOH 53 29.925 -3.881 2.364 1.00 16.09 O HETATM 1580 O HOH 54 7.167 -8.702 11.129 1.00 15.02 O HETATM 1581 O HOH 55 15.532 -5.083 22.805 1.00 11.55 O HETATM 1582 O HOH 56 -0.991 13.987 3.174 1.00 18.48 O HETATM 1583 O HOH 57 -5.950 4.210 15.976 1.00 28.14 O HETATM 1584 O HOH 58 9.127 14.481 31.859 1.00 20.53 O HETATM 1585 O HOH 59 3.794 4.761 23.392 1.00 27.90 O HETATM 1586 O HOH 60 23.610 6.773 27.618 1.00 45.09 O HETATM 1587 O HOH 61 25.302 -1.793 2.628 1.00 11.73 O HETATM 1588 O HOH 62 16.093 14.562 0.558 1.00 25.31 O HETATM 1589 O HOH 63 7.808 10.361 25.526 1.00 13.66 O HETATM 1590 O HOH 64 13.353 17.775 10.786 1.00 17.42 O HETATM 1591 O HOH 65 4.410 -13.998 5.247 1.00 27.13 O HETATM 1592 O HOH 66 12.715 15.074 28.146 1.00 17.80 O HETATM 1593 O HOH 67 8.528 -15.622 6.622 1.00 20.19 O HETATM 1594 O HOH 68 20.633 -3.048 -6.164 1.00 32.07 O HETATM 1595 O HOH 69 11.283 -0.074 -8.527 1.00 22.92 O HETATM 1596 O HOH 70 15.054 -11.937 2.521 1.00 17.92 O HETATM 1597 O HOH 71 27.886 -1.073 11.630 1.00 11.45 O HETATM 1598 O HOH 72 7.365 16.421 32.127 1.00 19.76 O HETATM 1599 O HOH 73 21.092 0.426 -5.043 1.00 29.73 O HETATM 1600 O HOH 74 -5.151 7.996 12.865 1.00 20.43 O HETATM 1601 O HOH 75 -4.688 -2.239 6.895 1.00 12.34 O HETATM 1602 O HOH 76 18.005 19.299 12.836 1.00 17.91 O HETATM 1603 O HOH 77 13.204 -10.632 4.103 1.00 15.92 O HETATM 1604 O HOH 78 0.276 1.158 -2.469 1.00 17.24 O HETATM 1605 O HOH 79 26.775 5.246 14.863 1.00 14.79 O HETATM 1606 O HOH 80 28.726 1.943 14.797 1.00 15.56 O HETATM 1607 O HOH 81 -0.551 -6.532 0.222 1.00 23.52 O HETATM 1608 O HOH 82 6.354 2.933 26.510 1.00 31.82 O HETATM 1609 O HOH 83 10.952 4.142 24.432 1.00 14.06 O HETATM 1610 O HOH 84 20.339 4.988 28.259 1.00 21.38 O HETATM 1611 O HOH 85 18.309 1.509 29.059 1.00 24.38 O HETATM 1612 O HOH 86 3.531 7.386 -1.391 1.00 13.16 O HETATM 1613 O HOH 87 26.340 -0.797 18.019 1.00 16.00 O HETATM 1614 O HOH 88 11.470 -11.953 0.259 1.00 19.29 O HETATM 1615 O HOH 89 9.756 -9.162 5.494 1.00 11.04 O HETATM 1616 O HOH 90 -0.857 8.007 -2.065 1.00 20.65 O HETATM 1617 O HOH 91 26.214 -1.206 13.919 1.00 13.11 O HETATM 1618 O HOH 92 20.826 -11.270 2.358 1.00 21.42 O HETATM 1619 O HOH 93 2.570 -7.458 13.835 1.00 30.15 O HETATM 1620 O HOH 94 22.669 1.577 6.968 1.00 11.33 O HETATM 1621 O HOH 95 1.456 18.417 1.990 1.00 28.87 O HETATM 1622 O HOH 96 20.114 -5.179 -0.997 1.00 32.21 O HETATM 1623 O HOH 97 12.477 18.340 6.010 1.00 24.79 O HETATM 1624 O HOH 98 9.084 17.097 19.505 1.00 13.11 O HETATM 1625 O HOH 99 8.407 -4.294 1.245 1.00 10.84 O HETATM 1626 O HOH 100 10.263 6.724 31.608 1.00 33.52 O HETATM 1627 O HOH 101 23.609 -8.981 3.533 1.00 16.97 O HETATM 1628 O HOH 102 18.239 -4.551 1.595 1.00 11.51 O HETATM 1629 O HOH 103 12.454 -0.004 25.430 1.00 17.36 O HETATM 1630 O HOH 104 21.499 1.606 -2.007 1.00 20.12 O HETATM 1631 O HOH 105 24.643 9.421 19.798 1.00 21.34 O HETATM 1632 O HOH 106 15.500 -6.972 -5.355 1.00 19.15 O HETATM 1633 O HOH 107 15.906 4.770 33.482 1.00 35.86 O HETATM 1634 O HOH 108 22.926 15.498 18.346 1.00 17.47 O HETATM 1635 O HOH 109 -2.162 6.659 16.300 1.00 15.22 O HETATM 1636 O HOH 110 17.694 11.327 0.612 1.00 21.07 O HETATM 1637 O HOH 111 8.764 -10.831 -2.103 1.00 22.07 O HETATM 1638 O HOH 112 13.511 -7.801 22.597 1.00 16.68 O HETATM 1639 O HOH 113 3.123 -10.887 3.176 1.00 19.51 O HETATM 1640 O HOH 114 7.637 3.932 -8.476 1.00 20.74 O HETATM 1641 O HOH 115 0.418 16.164 11.962 1.00 29.13 O HETATM 1642 O HOH 116 -0.170 8.548 12.739 1.00 10.17 O HETATM 1643 O HOH 117 4.088 -9.043 13.846 1.00 30.72 O HETATM 1644 O HOH 118 0.790 11.570 20.789 1.00 20.18 O HETATM 1645 O HOH 119 4.733 -4.358 12.357 1.00 12.18 O HETATM 1646 O HOH 120 1.918 8.140 23.727 1.00 29.64 O HETATM 1647 O HOH 121 5.300 -5.379 -1.555 1.00 19.22 O HETATM 1648 O HOH 122 25.412 -0.120 21.871 1.00 16.36 O HETATM 1649 O HOH 123 21.942 -7.209 13.641 1.00 13.10 O HETATM 1650 O HOH 124 14.780 -1.155 -1.858 1.00 13.41 O HETATM 1651 O HOH 125 7.603 -14.993 10.808 1.00 30.64 O HETATM 1652 O HOH 126 5.438 15.102 0.859 1.00 14.14 O HETATM 1653 O HOH 127 24.504 7.591 4.851 1.00 21.71 O HETATM 1654 O HOH 128 9.614 20.671 9.243 1.00 18.53 O HETATM 1655 O HOH 129 -0.063 15.007 7.586 1.00 14.52 O HETATM 1656 O HOH 130 6.979 15.617 -1.718 1.00 25.31 O HETATM 1657 O HOH 131 19.238 -3.185 28.299 1.00 31.66 O HETATM 1658 O HOH 132 24.151 -0.452 27.718 1.00 21.25 O HETATM 1659 O HOH 133 11.477 -8.993 -3.439 1.00 26.69 O HETATM 1660 O HOH 134 11.538 14.603 -2.406 1.00 23.23 O HETATM 1661 O HOH 135 7.811 -16.101 2.427 1.00 30.75 O HETATM 1662 O HOH 136 -0.781 14.038 10.184 1.00 23.43 O HETATM 1663 O HOH 137 13.703 16.473 25.934 1.00 14.61 O HETATM 1664 O HOH 138 9.651 -3.694 -7.100 1.00 41.34 O HETATM 1665 O HOH 139 23.769 5.498 25.131 1.00 25.11 O HETATM 1666 O HOH 140 -5.107 11.866 8.343 1.00 28.94 O HETATM 1667 O HOH 141 19.391 18.438 10.236 1.00 23.98 O HETATM 1668 O HOH 142 21.668 -3.638 27.764 1.00 18.42 O HETATM 1669 O HOH 143 25.096 -2.977 21.620 1.00 26.99 O HETATM 1670 O HOH 144 10.153 -6.565 22.680 1.00 32.00 O HETATM 1671 O HOH 145 19.901 15.700 9.105 1.00 21.13 O HETATM 1672 O HOH 146 -3.011 4.001 15.963 1.00 15.13 O HETATM 1673 O HOH 147 20.829 16.911 11.427 1.00 20.69 O HETATM 1674 O HOH 148 -0.487 -11.124 7.009 1.00 21.95 O HETATM 1675 O HOH 149 -3.934 10.825 0.650 1.00 25.92 O HETATM 1676 O HOH 150 10.900 3.135 28.279 1.00 28.62 O HETATM 1677 O HOH 151 12.886 20.684 11.753 1.00 27.06 O HETATM 1678 O HOH 152 -0.729 11.282 12.565 1.00 15.48 O HETATM 1679 O HOH 153 9.661 18.610 17.609 1.00 20.28 O HETATM 1680 O HOH 154 17.003 -4.854 26.214 1.00 19.68 O HETATM 1681 O HOH 155 7.211 -0.958 23.920 1.00 23.82 O HETATM 1682 O HOH 156 22.972 10.956 7.649 1.00 23.99 O HETATM 1683 O HOH 157 12.021 12.966 -5.897 1.00 24.08 O HETATM 1684 O HOH 158 25.290 13.888 18.902 1.00 23.51 O HETATM 1685 O HOH 159 0.587 -11.685 4.165 1.00 22.97 O HETATM 1686 O HOH 160 18.577 12.357 2.404 1.00 25.90 O HETATM 1687 O HOH 161 -2.614 7.526 13.762 1.00 14.64 O HETATM 1688 O HOH 162 27.875 6.157 3.168 1.00 28.27 O HETATM 1689 O HOH 163 19.206 -7.812 13.072 1.00 15.26 O HETATM 1690 O HOH 164 -6.574 -6.795 2.351 1.00 22.36 O HETATM 1691 O HOH 165 0.932 11.872 -1.310 1.00 26.52 O HETATM 1692 O HOH 166 21.020 -7.730 -1.327 1.00 27.55 O HETATM 1693 O HOH 167 19.271 9.673 -1.082 1.00 23.11 O HETATM 1694 O HOH 168 -6.331 -0.841 14.370 1.00 19.95 O HETATM 1695 O HOH 169 8.541 1.597 -9.268 1.00 28.71 O HETATM 1696 O HOH 170 0.505 16.722 3.069 1.00 38.20 O HETATM 1697 O HOH 171 2.029 2.024 -4.424 1.00 25.08 O HETATM 1698 O HOH 172 27.919 3.987 19.847 1.00 35.12 O HETATM 1699 O HOH 173 5.721 10.566 30.061 1.00 46.81 O HETATM 1700 O HOH 174 11.512 19.312 4.355 1.00 29.62 O HETATM 1701 O HOH 175 12.803 21.326 22.691 1.00 16.45 O HETATM 1702 O HOH 176 5.788 9.550 27.170 1.00 22.63 O HETATM 1703 O HOH 177 4.979 1.115 25.301 1.00 36.38 O HETATM 1704 O HOH 178 6.148 -0.656 21.450 1.00 14.08 O HETATM 1705 O HOH 179 6.113 16.642 23.432 1.00 21.83 O HETATM 1706 O HOH 180 26.877 5.916 19.507 1.00 39.90 O HETATM 1707 O HOH 181 6.363 -15.933 -1.596 1.00 30.48 O HETATM 1708 O HOH 182 10.960 0.970 32.113 1.00 40.76 O HETATM 1709 O HOH 183 -4.451 -0.294 16.665 1.00 32.08 O HETATM 1710 O HOH 184 11.089 4.284 30.564 1.00 32.16 O HETATM 1711 O HOH 185 26.922 -9.012 4.886 1.00 18.60 O HETATM 1712 O HOH 186 6.693 10.436 31.730 1.00 46.34 O HETATM 1713 O HOH 187 -8.436 9.590 11.444 1.00 30.93 O HETATM 1714 O HOH 188 6.506 -5.979 11.654 1.00 16.25 O HETATM 1715 O HOH 189 27.054 -7.724 2.204 1.00 20.84 O HETATM 1716 O HOH 190 5.421 -5.831 -4.049 1.00 24.92 O HETATM 1717 O HOH 191 10.422 19.815 19.302 1.00 19.04 O HETATM 1718 O HOH 192 11.124 -4.689 22.932 1.00 30.82 O HETATM 1719 O HOH 193 -4.800 -3.400 0.551 1.00 28.06 O HETATM 1720 O HOH 194 19.153 20.990 9.448 1.00 36.42 O HETATM 1721 O HOH 195 5.714 -10.569 12.536 1.00 18.41 O HETATM 1722 O HOH 196 16.306 11.304 -5.633 1.00 23.88 O HETATM 1723 O HOH 197 13.408 24.216 11.434 1.00 34.10 O HETATM 1724 O HOH 198 1.413 5.444 -4.358 1.00 32.17 O HETATM 1725 O HOH 199 3.993 11.180 26.665 1.00 29.04 O HETATM 1726 O HOH 200 4.337 6.184 -5.908 1.00 29.03 O HETATM 1727 O HOH 201 8.937 2.811 25.859 1.00 21.50 O HETATM 1728 O HOH 202 -7.710 -3.353 15.238 1.00 22.22 O HETATM 1729 O HOH 203 11.769 -11.142 -2.257 1.00 29.05 O HETATM 1730 O HOH 204 3.449 -12.511 1.118 1.00 30.62 O HETATM 1731 O HOH 205 1.185 21.245 0.838 1.00 30.57 O HETATM 1732 O HOH 206 12.889 -8.436 -5.940 1.00 31.99 O HETATM 1733 O HOH 207 -1.444 10.347 20.716 1.00 33.29 O HETATM 1734 O HOH 208 24.589 -12.060 8.628 1.00 23.53 O HETATM 1735 O HOH 209 2.068 10.610 22.745 1.00 27.67 O HETATM 1736 O HOH 210 29.867 2.126 17.092 1.00 30.79 O HETATM 1737 O HOH 211 8.607 22.195 7.384 1.00 53.10 O HETATM 1738 O HOH 212 5.054 -12.432 10.969 1.00 31.75 O HETATM 1739 O HOH 213 9.084 0.081 25.150 1.00 27.64 O HETATM 1740 O HOH 214 27.093 -2.144 21.994 1.00 35.64 O HETATM 1741 O HOH 215 3.204 9.776 -2.830 1.00 19.30 O HETATM 1742 O HOH 216 9.568 -17.775 4.958 1.00 29.13 O HETATM 1743 O HOH 217 26.269 -11.415 4.974 1.00 34.47 O HETATM 1744 O HOH 218 26.917 -0.878 0.656 1.00 19.76 O HETATM 1745 O HOH 219 13.703 -13.316 0.512 1.00 22.58 O HETATM 1746 O HOH 220 6.547 17.514 20.687 1.00 17.95 O HETATM 1747 O HOH 221 1.674 -14.287 4.647 1.00 32.57 O HETATM 1748 O HOH 222 23.992 1.107 -2.998 1.00 31.66 O HETATM 1749 O HOH 223 10.377 22.466 25.507 1.00 16.09 O HETATM 1750 O HOH 224 25.705 -3.332 18.119 1.00 16.71 O HETATM 1751 O HOH 225 -6.679 -5.599 20.277 1.00 28.04 O HETATM 1752 O HOH 226 27.302 -4.325 20.329 1.00 28.97 O HETATM 1753 O HOH 227 13.519 -15.797 0.895 1.00 30.15 O HETATM 1754 N1 UNN A 228 14.927 -5.472 13.605 1.00 -0.24 N HETATM 1755 N2 UNN A 228 15.628 -5.640 14.826 1.00 0.38 N HETATM 1756 C8 UNN A 228 17.085 -5.698 14.615 1.00 0.10 C HETATM 1757 C5 UNN A 228 17.558 -4.511 13.767 1.00 0.01 C HETATM 1758 C6 UNN A 228 16.697 -4.309 12.515 1.00 -0.02 C HETATM 1759 C7 UNN A 228 15.224 -4.225 12.903 1.00 0.07 C HETATM 1760 H7 UNN A 228 15.050 -3.363 13.563 1.00 0.06 H HETATM 1761 H8 UNN A 228 14.596 -4.132 12.005 1.00 0.06 H HETATM 1762 H5 UNN A 228 16.846 -5.157 11.830 1.00 0.03 H HETATM 1763 H6 UNN A 228 16.995 -3.376 12.014 1.00 0.03 H HETATM 1764 H3 UNN A 228 17.511 -3.598 14.379 1.00 0.03 H HETATM 1765 H4 UNN A 228 18.598 -4.691 13.456 1.00 0.03 H HETATM 1766 C29 UNN A 228 17.710 -5.600 15.994 1.00 0.29 C HETATM 1767 O45 UNN A 228 17.428 -4.764 16.831 1.00 -0.36 O HETATM 1768 O47 UNN A 228 18.634 -6.586 16.164 1.00 -0.26 O HETATM 1769 C30 UNN A 228 19.325 -6.612 17.443 1.00 0.12 C HETATM 1770 C31 UNN A 228 18.397 -7.178 18.511 1.00 -0.01 C HETATM 1771 C32 UNN A 228 17.306 -7.995 18.152 1.00 -0.06 C HETATM 1772 C33 UNN A 228 16.437 -8.535 19.109 1.00 -0.05 C HETATM 1773 C34 UNN A 228 16.674 -8.246 20.454 1.00 -0.07 C HETATM 1774 C35 UNN A 228 17.748 -7.441 20.838 1.00 -0.07 C HETATM 1775 C36 UNN A 228 18.610 -6.913 19.873 1.00 -0.06 C HETATM 1776 H23 UNN A 228 19.447 -6.296 20.178 1.00 0.05 H HETATM 1777 H22 UNN A 228 17.914 -7.225 21.887 1.00 0.06 H HETATM 1778 H21 UNN A 228 16.014 -8.653 21.212 1.00 0.05 H HETATM 1779 C37 UNN A 228 15.302 -9.383 18.696 1.00 -0.07 C HETATM 1780 C38 UNN A 228 14.412 -9.953 19.528 1.00 -0.07 C HETATM 1781 C28 UNN A 228 13.274 -10.822 19.059 1.00 -0.02 C HETATM 1782 C27 UNN A 228 12.086 -9.963 18.608 1.00 -0.01 C HETATM 1783 C26 UNN A 228 10.713 -10.651 18.753 1.00 0.08 C HETATM 1784 C24 UNN A 228 10.301 -11.449 17.486 1.00 0.07 C HETATM 1785 C23 UNN A 228 10.482 -10.655 16.190 1.00 0.18 C HETATM 1786 O44 UNN A 228 10.911 -11.171 15.162 1.00 -0.40 O HETATM 1787 N4 UNN A 228 10.157 -9.317 16.157 1.00 -0.27 N HETATM 1788 C19 UNN A 228 10.296 -8.415 15.010 1.00 0.13 C HETATM 1789 C18 UNN A 228 11.683 -7.777 15.107 1.00 0.20 C HETATM 1790 N3 UNN A 228 12.580 -8.185 14.145 1.00 -0.26 N HETATM 1791 C10 UNN A 228 13.963 -7.701 14.120 1.00 0.14 C HETATM 1792 C11 UNN A 228 14.912 -8.780 13.564 1.00 0.02 C HETATM 1793 C12 UNN A 228 15.197 -9.954 14.475 1.00 -0.05 C HETATM 1794 C17 UNN A 228 14.159 -10.827 14.843 1.00 -0.07 C HETATM 1795 C16 UNN A 228 14.406 -11.913 15.686 1.00 -0.08 C HETATM 1796 C15 UNN A 228 15.691 -12.154 16.162 1.00 -0.04 C HETATM 1797 C14 UNN A 228 16.720 -11.295 15.798 1.00 0.08 C HETATM 1798 C13 UNN A 228 16.490 -10.199 14.964 1.00 -0.03 C HETATM 1799 H38 UNN A 228 17.307 -9.540 14.695 1.00 0.05 H HETATM 1800 O42 UNN A 228 17.984 -11.517 16.257 1.00 -0.33 O HETATM 1801 H40 UNN A 228 18.565 -10.845 15.919 1.00 0.25 H HETATM 1802 H39 UNN A 228 15.887 -13.002 16.809 1.00 0.05 H HETATM 1803 H37 UNN A 228 13.593 -12.571 15.971 1.00 0.06 H HETATM 1804 H36 UNN A 228 13.156 -10.656 14.469 1.00 0.05 H HETATM 1805 H34 UNN A 228 15.872 -8.295 13.332 1.00 0.05 H HETATM 1806 H35 UNN A 228 14.466 -9.174 12.639 1.00 0.05 H HETATM 1807 C9 UNN A 228 14.066 -6.478 13.210 1.00 0.24 C HETATM 1808 O41 UNN A 228 13.432 -6.393 12.155 1.00 -0.39 O HETATM 1809 H33 UNN A 228 14.270 -7.432 15.142 1.00 0.08 H HETATM 1810 H32 UNN A 228 12.279 -8.830 13.443 1.00 0.19 H HETATM 1811 O43 UNN A 228 11.945 -6.988 16.018 1.00 -0.39 O HETATM 1812 C20 UNN A 228 9.167 -7.368 14.890 1.00 -0.01 C HETATM 1813 C21 UNN A 228 9.373 -6.559 13.607 1.00 -0.06 C HETATM 1814 H44 UNN A 228 8.573 -5.810 13.513 1.00 0.02 H HETATM 1815 H45 UNN A 228 9.347 -7.234 12.739 1.00 0.02 H HETATM 1816 H46 UNN A 228 10.348 -6.051 13.646 1.00 0.02 H HETATM 1817 C22 UNN A 228 7.764 -7.991 14.855 1.00 -0.06 C HETATM 1818 H47 UNN A 228 7.600 -8.577 15.772 1.00 0.02 H HETATM 1819 H48 UNN A 228 7.677 -8.650 13.978 1.00 0.02 H HETATM 1820 H49 UNN A 228 7.010 -7.193 14.790 1.00 0.02 H HETATM 1821 H43 UNN A 228 9.226 -6.694 15.758 1.00 0.03 H HETATM 1822 H42 UNN A 228 10.262 -9.025 14.095 1.00 0.08 H HETATM 1823 H41 UNN A 228 9.790 -8.922 16.999 1.00 0.19 H HETATM 1824 C25 UNN A 228 8.840 -11.907 17.582 1.00 -0.04 C HETATM 1825 H11 UNN A 228 8.572 -12.469 16.675 1.00 0.03 H HETATM 1826 H12 UNN A 228 8.185 -11.028 17.676 1.00 0.03 H HETATM 1827 H13 UNN A 228 8.715 -12.553 18.464 1.00 0.03 H HETATM 1828 H10 UNN A 228 10.943 -12.341 17.431 1.00 0.06 H HETATM 1829 O46 UNN A 228 9.731 -9.639 19.002 1.00 -0.38 O HETATM 1830 C39 UNN A 228 9.921 -8.913 20.211 1.00 0.04 C HETATM 1831 H26 UNN A 228 9.124 -8.162 20.317 1.00 0.05 H HETATM 1832 H27 UNN A 228 10.899 -8.409 20.186 1.00 0.05 H HETATM 1833 H28 UNN A 228 9.887 -9.606 21.064 1.00 0.05 H HETATM 1834 H14 UNN A 228 10.753 -11.344 19.607 1.00 0.06 H HETATM 1835 H15 UNN A 228 12.076 -9.044 19.213 1.00 0.03 H HETATM 1836 H16 UNN A 228 12.231 -9.704 17.549 1.00 0.03 H HETATM 1837 H17 UNN A 228 13.615 -11.439 18.214 1.00 0.05 H HETATM 1838 H18 UNN A 228 12.955 -11.475 19.884 1.00 0.05 H HETATM 1839 H25 UNN A 228 14.520 -9.777 20.597 1.00 0.07 H HETATM 1840 H24 UNN A 228 15.175 -9.562 17.629 1.00 0.04 H HETATM 1841 H20 UNN A 228 17.134 -8.212 17.104 1.00 0.05 H HETATM 1842 C40 UNN A 228 20.627 -7.389 17.237 1.00 -0.02 C HETATM 1843 H29 UNN A 228 21.223 -6.903 16.451 1.00 0.03 H HETATM 1844 H30 UNN A 228 20.394 -8.421 16.936 1.00 0.03 H HETATM 1845 H31 UNN A 228 21.199 -7.401 18.176 1.00 0.03 H HETATM 1846 H19 UNN A 228 19.583 -5.584 17.736 1.00 0.08 H HETATM 1847 H9 UNN A 228 17.365 -6.642 14.125 1.00 0.11 H HETATM 1848 H1 UNN A 228 15.326 -6.498 15.260 1.00 0.23 H HETATM 1849 H2 UNN A 228 15.417 -4.864 15.433 1.00 0.23 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1754 1755 1759 1807 CONECT 1755 1754 1756 1848 1849 CONECT 1756 1755 1757 1766 1847 CONECT 1757 1756 1758 1764 1765 CONECT 1758 1757 1759 1762 1763 CONECT 1759 1754 1758 1760 1761 CONECT 1760 1759 CONECT 1761 1759 CONECT 1762 1758 CONECT 1763 1758 CONECT 1764 1757 CONECT 1765 1757 CONECT 1766 1756 1767 1768 CONECT 1767 1766 CONECT 1768 1766 1769 CONECT 1769 1768 1770 1842 1846 CONECT 1770 1769 1771 1775 CONECT 1771 1770 1772 1841 CONECT 1772 1771 1773 1779 CONECT 1773 1772 1774 1778 CONECT 1774 1773 1775 1777 CONECT 1775 1770 1774 1776 CONECT 1776 1775 CONECT 1777 1774 CONECT 1778 1773 CONECT 1779 1772 1780 1840 CONECT 1780 1779 1781 1839 CONECT 1781 1780 1782 1837 1838 CONECT 1782 1781 1783 1835 1836 CONECT 1783 1782 1784 1829 1834 CONECT 1784 1783 1785 1824 1828 CONECT 1785 1784 1786 1787 CONECT 1786 1785 CONECT 1787 1785 1788 1823 CONECT 1788 1787 1789 1812 1822 CONECT 1789 1788 1790 1811 CONECT 1790 1789 1791 1810 CONECT 1791 1790 1792 1807 1809 CONECT 1792 1791 1793 1805 1806 CONECT 1793 1792 1794 1798 CONECT 1794 1793 1795 1804 CONECT 1795 1794 1796 1803 CONECT 1796 1795 1797 1802 CONECT 1797 1796 1798 1800 CONECT 1798 1793 1797 1799 CONECT 1799 1798 CONECT 1800 1797 1801 CONECT 1801 1800 CONECT 1802 1796 CONECT 1803 1795 CONECT 1804 1794 CONECT 1805 1792 CONECT 1806 1792 CONECT 1807 1754 1791 1808 CONECT 1808 1807 CONECT 1809 1791 CONECT 1810 1790 CONECT 1811 1789 CONECT 1812 1788 1813 1817 1821 CONECT 1813 1812 1814 1815 1816 CONECT 1814 1813 CONECT 1815 1813 CONECT 1816 1813 CONECT 1817 1812 1818 1819 1820 CONECT 1818 1817 CONECT 1819 1817 CONECT 1820 1817 CONECT 1821 1812 CONECT 1822 1788 CONECT 1823 1787 CONECT 1824 1784 1825 1826 1827 CONECT 1825 1824 CONECT 1826 1824 CONECT 1827 1824 CONECT 1828 1784 CONECT 1829 1783 1830 CONECT 1830 1829 1831 1832 1833 CONECT 1831 1830 CONECT 1832 1830 CONECT 1833 1830 CONECT 1834 1783 CONECT 1835 1782 CONECT 1836 1782 CONECT 1837 1781 CONECT 1838 1781 CONECT 1839 1780 CONECT 1840 1779 CONECT 1841 1771 CONECT 1842 1769 1843 1844 1845 CONECT 1843 1842 CONECT 1844 1842 CONECT 1845 1842 CONECT 1846 1769 CONECT 1847 1756 CONECT 1848 1755 CONECT 1849 1755 MASTER 0 0 0 0 0 0 0 0 1848 1 100 13 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 5ta2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ak4
RCSB PDB
PDBbind
165aa, >1AK4_1|Chains... at 100%
1nmk
RCSB PDB
PDBbind
165aa, >1NMK_1|Chains... at 100%
1w8l
RCSB PDB
PDBbind
165aa, >1W8L_1|Chain... at 100%
1w8m
RCSB PDB
PDBbind
165aa, >1W8M_1|Chain... at 100%
1ynd
RCSB PDB
PDBbind
165aa, >1YND_1|Chains... at 100%
2ms4
RCSB PDB
PDBbind
165aa, >2MS4_1|Chain... at 100%
2x2d
RCSB PDB
PDBbind
165aa, >2X2D_1|Chains... at 100%
4dgb
RCSB PDB
PDBbind
165aa, >4DGB_1|Chain... at 98%
4dge
RCSB PDB
PDBbind
165aa, >4DGE_1|Chains... at 98%
5lud
RCSB PDB
PDBbind
165aa, >5LUD_1|Chain... at 100%
5t9u
RCSB PDB
PDBbind
164aa, >5T9U_1|Chains... at 100%
5t9w
RCSB PDB
PDBbind
164aa, >5T9W_1|Chain... at 100%
5t9z
RCSB PDB
PDBbind
163aa, >5T9Z_1|Chain... at 100%
5ta4
RCSB PDB
PDBbind
164aa, >5TA4_1|Chain... at 100%
6gji
RCSB PDB
PDBbind
165aa, >6GJI_1|Chain... at 100%
6gjj
RCSB PDB
PDBbind
165aa, >6GJJ_1|Chain... at 100%
6gjl
RCSB PDB
PDBbind
165aa, >6GJL_1|Chain... at 100%
6gjm
RCSB PDB
PDBbind
165aa, >6GJM_1|Chain... at 100%
6gjn
RCSB PDB
PDBbind
165aa, >6GJN_1|Chain... at 100%
6gjr
RCSB PDB
PDBbind
165aa, >6GJR_1|Chain... at 100%
6gjy
RCSB PDB
PDBbind
165aa, >6GJY_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ta2
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cyclophilin A
Ligand Name
78X
EC.Number
E.C.-.-.-.-
Resolution
1.48(Å)
Affinity (Kd/Ki/IC50)
Kd=11nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 1000-1017
Ligand Properties
Formula
C
3
6
H
4
9
N
4
O
7
Molecular Weight
649.797
Exact Mass
649.360
No. of atoms
96
No. of bonds
99
Polar Surface Area
150.88
LOGP Value
5.12 (
Computed with XLOGP3
)
4.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
CO[C@@H]1CC/C=C/c2cccc(c2)[C@@H](C)OC(=O)[C@H]2[NH2+]N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)Cc1cccc(c1)O)CCC2
InChI String
InChI=1S/C36H48N4O7/c1-22(2)32-34(43)37-30(21-26-13-9-15-28(41)20-26)35(44)40-18-10-16-29(39-40)36(45)47-24(4)27-14-8-12-25(19-27)11-6-7-17-31(46-5)23(3)33(42)38-32/h6,8-9,11-15,19-20,22-24,29-32,39,41H,7,10,16-18,21H2,1-5H3,(H,37,43)(H,38,42)/p+1/b11-6+/t23-,24-,29+,30+,31-,32+/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):
P62937
Entrez Gene ID
NCBI Entrez Gene ID:
5478
ASD
Information of known allosteric effects of PDB entries
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