Browse entries in the PDBbind-CN Database
HEADER 2GMK_COMPLEX COMPND 2GMK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 PCA ASP TRP LEU THR PHE GLN LYS LYS HIS ILE THR ASN SEQRES 2 A 104 THR ARG ASP VAL ASP CYS ASP ASN ILE MET SER THR ASN SEQRES 3 A 104 LEU PHE HIS CYS LYS ASP LYS ASN THR PHE ILE TYR SER SEQRES 4 A 104 ARG PRO GLU PRO VAL LYS ALA ILE CYS LYS GLY ILE ILE SEQRES 5 A 104 ALA SER LYS ASN VAL LEU THR THR SER GLU PHE TYR LEU SEQRES 6 A 104 SER ASP CYS ASN VAL THR SER ARG PRO CYS LYS TYR LYS SEQRES 7 A 104 LEU LYS LYS SER THR ASN LYS PHE CYS VAL ASN CYS ALA SEQRES 8 A 104 ASN GLN ALA PRO VAL HIS PHE VAL GLY VAL GLY SER CYS HET PCA A 1 13 HET AMP A 298 35 SSBOND 1 CYS A 19 CYS A 68 SSBOND 2 CYS A 30 CYS A 75 SSBOND 3 CYS A 48 CYS A 90 SSBOND 4 CYS A 87 CYS A 104 HETATM 1 N PCA A 1 -17.328 -7.775 -5.911 1.00 16.39 N HETATM 2 CA PCA A 1 -17.836 -9.142 -5.769 1.00 16.24 C HETATM 3 C PCA A 1 -16.945 -10.162 -6.465 1.00 16.88 C HETATM 4 O PCA A 1 -16.879 -11.334 -6.063 1.00 16.51 O HETATM 5 CB PCA A 1 -19.246 -9.222 -6.326 1.00 17.36 C HETATM 6 CG PCA A 1 -19.531 -7.921 -7.051 1.00 17.28 C HETATM 7 CD PCA A 1 -18.342 -7.072 -6.679 1.00 15.35 C HETATM 8 OE PCA A 1 -18.251 -5.881 -6.998 1.00 17.80 O HETATM 9 HG2 PCA A 1 -20.461 -7.471 -6.703 1.00 0.00 H HETATM 10 HG1 PCA A 1 -19.584 -8.074 -8.129 1.00 0.00 H HETATM 11 HB2 PCA A 1 -19.959 -9.358 -5.513 1.00 0.00 H HETATM 12 HB1 PCA A 1 -19.324 -10.059 -7.020 1.00 0.00 H HETATM 13 HA PCA A 1 -17.840 -9.385 -4.706 1.00 0.00 H ATOM 14 N ASP A 2 -16.263 -9.710 -7.515 1.00 15.71 N ATOM 15 CA ASP A 2 -15.293 -10.522 -8.237 1.00 14.79 C ATOM 16 C ASP A 2 -14.376 -9.569 -8.984 1.00 13.79 C ATOM 17 O ASP A 2 -14.635 -8.352 -9.022 1.00 12.99 O ATOM 18 CB ASP A 2 -15.983 -11.490 -9.203 1.00 16.44 C ATOM 19 CG ASP A 2 -17.064 -10.819 -10.030 1.00 21.68 C ATOM 20 OD1 ASP A 2 -16.771 -9.823 -10.718 1.00 22.09 O ATOM 21 OD2 ASP A 2 -18.217 -11.300 -10.008 1.00 28.19 O ATOM 22 HA ASP A 2 -14.723 -11.137 -7.540 1.00 0.00 H ATOM 23 HB2 ASP A 2 -15.233 -11.904 -9.878 1.00 0.00 H ATOM 24 HB3 ASP A 2 -16.435 -12.297 -8.626 1.00 0.00 H ATOM 25 H ASP A 2 -16.430 -8.734 -7.834 1.00 0.00 H ATOM 26 N TRP A 3 -13.301 -10.116 -9.547 1.00 13.51 N ATOM 27 CA TRP A 3 -12.284 -9.287 -10.202 1.00 12.14 C ATOM 28 C TRP A 3 -12.843 -8.494 -11.404 1.00 12.59 C ATOM 29 O TRP A 3 -12.562 -7.310 -11.536 1.00 12.34 O ATOM 30 CB TRP A 3 -11.086 -10.164 -10.599 1.00 12.72 C ATOM 31 CG TRP A 3 -9.995 -9.506 -11.414 1.00 11.98 C ATOM 32 CD1 TRP A 3 -9.424 -10.004 -12.572 1.00 14.38 C ATOM 33 CD2 TRP A 3 -9.329 -8.264 -11.149 1.00 13.43 C ATOM 34 NE1 TRP A 3 -8.462 -9.146 -13.033 1.00 12.46 N ATOM 35 CE2 TRP A 3 -8.378 -8.072 -12.182 1.00 14.39 C ATOM 36 CE3 TRP A 3 -9.457 -7.281 -10.148 1.00 13.26 C ATOM 37 CZ2 TRP A 3 -7.538 -6.951 -12.233 1.00 15.17 C ATOM 38 CZ3 TRP A 3 -8.616 -6.152 -10.198 1.00 11.36 C ATOM 39 CH2 TRP A 3 -7.673 -5.998 -11.246 1.00 14.73 C ATOM 40 HA TRP A 3 -11.950 -8.534 -9.488 1.00 0.00 H ATOM 41 HB2 TRP A 3 -10.632 -10.537 -9.681 1.00 0.00 H ATOM 42 HB3 TRP A 3 -11.470 -11.003 -11.179 1.00 0.00 H ATOM 43 HE1 TRP A 3 -7.888 -9.285 -13.889 1.00 0.00 H ATOM 44 HD1 TRP A 3 -9.701 -10.944 -13.049 1.00 0.00 H ATOM 45 HZ2 TRP A 3 -6.801 -6.836 -13.028 1.00 0.00 H ATOM 46 HH2 TRP A 3 -7.043 -5.109 -11.272 1.00 0.00 H ATOM 47 HZ3 TRP A 3 -8.691 -5.389 -9.423 1.00 0.00 H ATOM 48 HE3 TRP A 3 -10.192 -7.392 -9.351 1.00 0.00 H ATOM 49 H TRP A 3 -13.180 -11.149 -9.522 1.00 0.00 H ATOM 50 N LEU A 4 -13.643 -9.127 -12.260 1.00 13.46 N ATOM 51 CA LEU A 4 -14.176 -8.393 -13.417 1.00 13.22 C ATOM 52 C LEU A 4 -15.064 -7.216 -13.011 1.00 13.06 C ATOM 53 O LEU A 4 -15.002 -6.147 -13.617 1.00 14.01 O ATOM 54 CB LEU A 4 -14.929 -9.329 -14.372 1.00 14.97 C ATOM 55 CG LEU A 4 -14.140 -9.771 -15.617 1.00 17.32 C ATOM 56 CD1 LEU A 4 -12.801 -10.438 -15.312 1.00 20.08 C ATOM 57 CD2 LEU A 4 -15.006 -10.638 -16.547 1.00 15.86 C ATOM 58 HA LEU A 4 -13.314 -7.980 -13.940 1.00 0.00 H ATOM 59 HB2 LEU A 4 -15.210 -10.223 -13.816 1.00 0.00 H ATOM 60 HB3 LEU A 4 -15.829 -8.814 -14.708 1.00 0.00 H ATOM 61 HG LEU A 4 -13.883 -8.849 -16.139 1.00 0.00 H ATOM 62 HD21 LEU A 4 -15.335 -11.527 -16.010 1.00 0.00 H ATOM 63 HD22 LEU A 4 -15.875 -10.065 -16.871 1.00 0.00 H ATOM 64 HD23 LEU A 4 -14.419 -10.934 -17.417 1.00 0.00 H ATOM 65 HD11 LEU A 4 -12.166 -9.742 -14.764 1.00 0.00 H ATOM 66 HD12 LEU A 4 -12.970 -11.330 -14.709 1.00 0.00 H ATOM 67 HD13 LEU A 4 -12.314 -10.717 -16.247 1.00 0.00 H ATOM 68 H LEU A 4 -13.887 -10.127 -12.112 1.00 0.00 H ATOM 69 N THR A 5 -15.915 -7.430 -12.009 1.00 12.43 N ATOM 70 CA THR A 5 -16.785 -6.345 -11.525 1.00 13.36 C ATOM 71 C THR A 5 -15.990 -5.271 -10.800 1.00 12.97 C ATOM 72 O THR A 5 -16.286 -4.080 -10.944 1.00 14.50 O ATOM 73 CB THR A 5 -17.907 -6.858 -10.605 1.00 14.06 C ATOM 74 OG1 THR A 5 -18.601 -7.926 -11.252 1.00 16.40 O ATOM 75 CG2 THR A 5 -18.908 -5.743 -10.349 1.00 17.08 C ATOM 76 HA THR A 5 -17.243 -5.912 -12.414 1.00 0.00 H ATOM 77 HB THR A 5 -17.466 -7.197 -9.668 1.00 0.00 H ATOM 78 HG1 THR A 5 -17.967 -8.662 -11.443 1.00 0.00 H ATOM 79 HG23 THR A 5 -18.405 -4.912 -9.855 1.00 0.00 H ATOM 80 HG21 THR A 5 -19.324 -5.405 -11.298 1.00 0.00 H ATOM 81 HG22 THR A 5 -19.710 -6.116 -9.711 1.00 0.00 H ATOM 82 H THR A 5 -15.965 -8.369 -11.566 1.00 0.00 H ATOM 83 N PHE A 6 -14.995 -5.682 -10.019 1.00 11.55 N ATOM 84 CA PHE A 6 -14.113 -4.712 -9.374 1.00 11.07 C ATOM 85 C PHE A 6 -13.480 -3.778 -10.406 1.00 11.22 C ATOM 86 O PHE A 6 -13.458 -2.565 -10.214 1.00 10.61 O ATOM 87 CB PHE A 6 -13.027 -5.386 -8.540 1.00 11.84 C ATOM 88 CG PHE A 6 -12.105 -4.414 -7.887 1.00 7.80 C ATOM 89 CD1 PHE A 6 -10.976 -3.951 -8.554 1.00 11.69 C ATOM 90 CD2 PHE A 6 -12.337 -3.967 -6.589 1.00 12.70 C ATOM 91 CE1 PHE A 6 -10.129 -3.024 -7.951 1.00 9.82 C ATOM 92 CE2 PHE A 6 -11.470 -3.051 -5.987 1.00 10.99 C ATOM 93 CZ PHE A 6 -10.363 -2.596 -6.667 1.00 12.35 C ATOM 94 HA PHE A 6 -14.733 -4.124 -8.697 1.00 0.00 H ATOM 95 HB2 PHE A 6 -13.506 -5.985 -7.765 1.00 0.00 H ATOM 96 HB3 PHE A 6 -12.442 -6.036 -9.191 1.00 0.00 H ATOM 97 HD2 PHE A 6 -13.202 -4.335 -6.038 1.00 0.00 H ATOM 98 HE2 PHE A 6 -11.671 -2.696 -4.976 1.00 0.00 H ATOM 99 HZ PHE A 6 -9.675 -1.899 -6.189 1.00 0.00 H ATOM 100 HE1 PHE A 6 -9.273 -2.635 -8.503 1.00 0.00 H ATOM 101 HD1 PHE A 6 -10.752 -4.316 -9.556 1.00 0.00 H ATOM 102 H PHE A 6 -14.844 -6.700 -9.867 1.00 0.00 H ATOM 103 N GLN A 7 -12.952 -4.340 -11.496 1.00 10.00 N ATOM 104 CA GLN A 7 -12.359 -3.503 -12.553 1.00 11.37 C ATOM 105 C GLN A 7 -13.363 -2.514 -13.134 1.00 11.31 C ATOM 106 O GLN A 7 -13.060 -1.331 -13.308 1.00 11.63 O ATOM 107 CB GLN A 7 -11.821 -4.365 -13.688 1.00 11.81 C ATOM 108 CG GLN A 7 -10.630 -5.193 -13.316 1.00 13.35 C ATOM 109 CD GLN A 7 -10.186 -6.050 -14.486 1.00 14.28 C ATOM 110 OE1 GLN A 7 -9.577 -5.548 -15.437 1.00 18.19 O ATOM 111 NE2 GLN A 7 -10.500 -7.349 -14.427 1.00 13.69 N ATOM 112 HA GLN A 7 -11.547 -2.947 -12.085 1.00 0.00 H ATOM 113 HB2 GLN A 7 -12.616 -5.036 -14.015 1.00 0.00 H ATOM 114 HB3 GLN A 7 -11.539 -3.709 -14.512 1.00 0.00 H ATOM 115 HG2 GLN A 7 -9.812 -4.534 -13.025 1.00 0.00 H ATOM 116 HG3 GLN A 7 -10.891 -5.839 -12.478 1.00 0.00 H ATOM 117 HE22 GLN A 7 -11.014 -7.723 -13.604 1.00 0.00 H ATOM 118 HE21 GLN A 7 -10.230 -7.985 -15.204 1.00 0.00 H ATOM 119 H GLN A 7 -12.959 -5.375 -11.599 1.00 0.00 H ATOM 120 N LYS A 8 -14.562 -2.986 -13.437 1.00 11.25 N ATOM 121 CA LYS A 8 -15.581 -2.106 -13.987 1.00 10.94 C ATOM 122 C LYS A 8 -15.939 -0.987 -13.008 1.00 11.94 C ATOM 123 O LYS A 8 -16.189 0.156 -13.423 1.00 13.38 O ATOM 124 CB LYS A 8 -16.845 -2.884 -14.302 1.00 11.76 C ATOM 125 CG LYS A 8 -16.727 -3.763 -15.544 1.00 15.67 C ATOM 126 CD LYS A 8 -18.069 -4.417 -15.805 1.00 24.32 C ATOM 127 CE LYS A 8 -17.940 -5.575 -16.778 1.00 27.26 C ATOM 128 NZ LYS A 8 -19.263 -6.261 -16.913 1.00 33.19 N ATOM 129 HA LYS A 8 -15.169 -1.672 -14.898 1.00 0.00 H ATOM 130 HB2 LYS A 8 -17.079 -3.521 -13.449 1.00 0.00 H ATOM 131 HB3 LYS A 8 -17.657 -2.174 -14.458 1.00 0.00 H ATOM 132 HG2 LYS A 8 -16.444 -3.152 -16.401 1.00 0.00 H ATOM 133 HG3 LYS A 8 -15.970 -4.530 -15.380 1.00 0.00 H ATOM 134 HD2 LYS A 8 -18.472 -4.788 -14.863 1.00 0.00 H ATOM 135 HD3 LYS A 8 -18.750 -3.676 -16.223 1.00 0.00 H ATOM 136 HE2 LYS A 8 -17.199 -6.283 -16.405 1.00 0.00 H ATOM 137 HE3 LYS A 8 -17.624 -5.199 -17.751 1.00 0.00 H ATOM 138 HZ1 LYS A 8 -19.563 -6.619 -15.984 1.00 0.00 H ATOM 139 HZ2 LYS A 8 -19.968 -5.585 -17.269 1.00 0.00 H ATOM 140 HZ3 LYS A 8 -19.174 -7.054 -17.580 1.00 0.00 H ATOM 141 H LYS A 8 -14.777 -3.992 -13.281 1.00 0.00 H ATOM 142 N LYS A 9 -15.984 -1.319 -11.717 1.00 11.78 N ATOM 143 CA LYS A 9 -16.409 -0.339 -10.709 1.00 10.46 C ATOM 144 C LYS A 9 -15.282 0.581 -10.246 1.00 11.21 C ATOM 145 O LYS A 9 -15.551 1.700 -9.774 1.00 12.00 O ATOM 146 CB LYS A 9 -16.980 -1.043 -9.486 1.00 10.94 C ATOM 147 CG LYS A 9 -18.354 -1.685 -9.706 1.00 13.61 C ATOM 148 CD LYS A 9 -18.775 -2.317 -8.393 1.00 20.58 C ATOM 149 CE LYS A 9 -20.121 -2.986 -8.457 1.00 23.67 C ATOM 150 NZ LYS A 9 -20.318 -3.814 -7.210 1.00 30.55 N ATOM 151 HA LYS A 9 -17.167 0.273 -11.197 1.00 0.00 H ATOM 152 HB2 LYS A 9 -16.282 -1.825 -9.186 1.00 0.00 H ATOM 153 HB3 LYS A 9 -17.070 -0.311 -8.683 1.00 0.00 H ATOM 154 HG2 LYS A 9 -19.077 -0.925 -10.003 1.00 0.00 H ATOM 155 HG3 LYS A 9 -18.289 -2.447 -10.483 1.00 0.00 H ATOM 156 HD2 LYS A 9 -18.031 -3.063 -8.114 1.00 0.00 H ATOM 157 HD3 LYS A 9 -18.811 -1.539 -7.631 1.00 0.00 H ATOM 158 HE2 LYS A 9 -20.168 -3.630 -9.335 1.00 0.00 H ATOM 159 HE3 LYS A 9 -20.903 -2.229 -8.521 1.00 0.00 H ATOM 160 HZ1 LYS A 9 -19.570 -4.534 -7.152 1.00 0.00 H ATOM 161 HZ2 LYS A 9 -20.272 -3.196 -6.374 1.00 0.00 H ATOM 162 HZ3 LYS A 9 -21.247 -4.280 -7.248 1.00 0.00 H ATOM 163 H LYS A 9 -15.716 -2.280 -11.422 1.00 0.00 H ATOM 164 N HIS A 10 -14.035 0.115 -10.354 1.00 9.54 N ATOM 165 CA HIS A 10 -12.949 0.807 -9.654 1.00 10.63 C ATOM 166 C HIS A 10 -11.648 1.064 -10.369 1.00 11.28 C ATOM 167 O HIS A 10 -10.709 1.543 -9.741 1.00 11.99 O ATOM 168 CB HIS A 10 -12.650 0.105 -8.342 1.00 9.84 C ATOM 169 CG HIS A 10 -13.808 0.132 -7.410 1.00 8.78 C ATOM 170 ND1 HIS A 10 -14.234 1.294 -6.802 1.00 10.18 N ATOM 171 CD2 HIS A 10 -14.651 -0.843 -7.000 1.00 10.46 C ATOM 172 CE1 HIS A 10 -15.297 1.032 -6.058 1.00 12.51 C ATOM 173 NE2 HIS A 10 -15.568 -0.256 -6.160 1.00 10.74 N ATOM 174 HA HIS A 10 -13.367 1.807 -9.539 1.00 0.00 H ATOM 175 HB2 HIS A 10 -12.392 -0.933 -8.551 1.00 0.00 H ATOM 176 HB3 HIS A 10 -11.804 0.599 -7.865 1.00 0.00 H ATOM 177 HD2 HIS A 10 -14.611 -1.895 -7.282 1.00 0.00 H ATOM 178 HE1 HIS A 10 -15.853 1.756 -5.463 1.00 0.00 H ATOM 179 H HIS A 10 -13.837 -0.729 -10.928 1.00 0.00 H ATOM 180 N ILE A 11 -11.575 0.737 -11.655 1.00 12.86 N ATOM 181 CA ILE A 11 -10.368 1.043 -12.413 1.00 14.08 C ATOM 182 C ILE A 11 -10.740 1.932 -13.580 1.00 13.63 C ATOM 183 O ILE A 11 -11.658 1.604 -14.349 1.00 13.56 O ATOM 184 CB ILE A 11 -9.647 -0.241 -12.879 1.00 13.36 C ATOM 185 CG1 ILE A 11 -9.154 -1.005 -11.645 1.00 17.93 C ATOM 186 CG2 ILE A 11 -8.457 0.122 -13.803 1.00 18.06 C ATOM 187 CD1 ILE A 11 -8.443 -2.332 -11.937 1.00 18.63 C ATOM 188 HA ILE A 11 -9.663 1.570 -11.771 1.00 0.00 H ATOM 189 HB ILE A 11 -10.336 -0.869 -13.444 1.00 0.00 H ATOM 190 HG12 ILE A 11 -8.459 -0.362 -11.106 1.00 0.00 H ATOM 191 HG13 ILE A 11 -10.016 -1.217 -11.013 1.00 0.00 H ATOM 192 HD11 ILE A 11 -9.125 -3.000 -12.463 1.00 0.00 H ATOM 193 HD12 ILE A 11 -7.566 -2.144 -12.556 1.00 0.00 H ATOM 194 HD13 ILE A 11 -8.135 -2.792 -10.998 1.00 0.00 H ATOM 195 HG21 ILE A 11 -8.827 0.662 -14.675 1.00 0.00 H ATOM 196 HG22 ILE A 11 -7.753 0.750 -13.257 1.00 0.00 H ATOM 197 HG23 ILE A 11 -7.957 -0.791 -14.125 1.00 0.00 H ATOM 198 H ILE A 11 -12.377 0.264 -12.119 1.00 0.00 H ATOM 199 N THR A 12 -10.062 3.073 -13.697 1.00 12.73 N ATOM 200 CA THR A 12 -10.315 3.998 -14.804 1.00 12.79 C ATOM 201 C THR A 12 -9.089 4.145 -15.693 1.00 13.95 C ATOM 202 O THR A 12 -7.938 4.156 -15.225 1.00 13.59 O ATOM 203 CB THR A 12 -10.796 5.393 -14.307 1.00 13.36 C ATOM 204 OG1 THR A 12 -11.014 6.272 -15.425 1.00 13.72 O ATOM 205 CG2 THR A 12 -9.767 6.016 -13.359 1.00 10.23 C ATOM 206 HA THR A 12 -11.121 3.563 -15.395 1.00 0.00 H ATOM 207 HB THR A 12 -11.733 5.255 -13.768 1.00 0.00 H ATOM 208 HG1 THR A 12 -11.704 5.884 -16.019 1.00 0.00 H ATOM 209 HG23 THR A 12 -9.603 5.349 -12.513 1.00 0.00 H ATOM 210 HG21 THR A 12 -8.828 6.166 -13.892 1.00 0.00 H ATOM 211 HG22 THR A 12 -10.140 6.975 -13.000 1.00 0.00 H ATOM 212 H THR A 12 -9.339 3.311 -12.988 1.00 0.00 H ATOM 213 N ASN A 13 -9.339 4.267 -16.987 1.00 14.75 N ATOM 214 CA ASN A 13 -8.238 4.556 -17.902 1.00 16.14 C ATOM 215 C ASN A 13 -7.999 6.049 -18.144 1.00 16.77 C ATOM 216 O ASN A 13 -7.124 6.414 -18.936 1.00 16.52 O ATOM 217 CB ASN A 13 -8.438 3.828 -19.229 1.00 16.43 C ATOM 218 CG ASN A 13 -9.692 4.270 -19.974 1.00 21.18 C ATOM 219 OD1 ASN A 13 -10.288 5.326 -19.708 1.00 21.93 O ATOM 220 ND2 ASN A 13 -10.100 3.449 -20.930 1.00 26.01 N ATOM 221 HA ASN A 13 -7.340 4.186 -17.408 1.00 0.00 H ATOM 222 HB2 ASN A 13 -7.572 4.019 -19.863 1.00 0.00 H ATOM 223 HB3 ASN A 13 -8.512 2.759 -19.030 1.00 0.00 H ATOM 224 HD22 ASN A 13 -9.574 2.573 -21.123 1.00 0.00 H ATOM 225 HD21 ASN A 13 -10.947 3.680 -21.488 1.00 0.00 H ATOM 226 H ASN A 13 -10.308 4.158 -17.348 1.00 0.00 H ATOM 227 N THR A 14 -8.787 6.902 -17.487 1.00 14.54 N ATOM 228 CA THR A 14 -8.526 8.345 -17.464 1.00 15.41 C ATOM 229 C THR A 14 -8.636 8.898 -16.041 1.00 13.89 C ATOM 230 O THR A 14 -9.538 8.529 -15.277 1.00 13.57 O ATOM 231 CB THR A 14 -9.468 9.154 -18.390 1.00 16.09 C ATOM 232 OG1 THR A 14 -9.242 10.562 -18.193 1.00 17.73 O ATOM 233 CG2 THR A 14 -10.939 8.852 -18.095 1.00 16.66 C ATOM 234 HA THR A 14 -7.509 8.464 -17.839 1.00 0.00 H ATOM 235 HB THR A 14 -9.250 8.867 -19.419 1.00 0.00 H ATOM 236 HG1 THR A 14 -9.845 11.078 -18.785 1.00 0.00 H ATOM 237 HG23 THR A 14 -11.126 7.788 -18.240 1.00 0.00 H ATOM 238 HG21 THR A 14 -11.165 9.125 -17.064 1.00 0.00 H ATOM 239 HG22 THR A 14 -11.570 9.429 -18.771 1.00 0.00 H ATOM 240 H THR A 14 -9.613 6.532 -16.975 1.00 0.00 H ATOM 241 N ARG A 15 -7.739 9.806 -15.687 1.00 13.73 N ATOM 242 CA ARG A 15 -7.869 10.479 -14.403 1.00 13.01 C ATOM 243 C ARG A 15 -9.096 11.390 -14.375 1.00 13.38 C ATOM 244 O ARG A 15 -9.661 11.653 -13.322 1.00 13.85 O ATOM 245 CB ARG A 15 -6.602 11.266 -14.023 1.00 14.02 C ATOM 246 CG ARG A 15 -6.250 12.390 -14.959 1.00 18.60 C ATOM 247 CD ARG A 15 -4.783 12.751 -14.787 1.00 22.18 C ATOM 248 NE ARG A 15 -4.398 13.859 -15.646 1.00 28.10 N ATOM 249 CZ ARG A 15 -3.973 13.737 -16.904 1.00 33.27 C ATOM 250 NH1 ARG A 15 -3.883 12.540 -17.486 1.00 32.95 N ATOM 251 NH2 ARG A 15 -3.649 14.824 -17.591 1.00 33.35 N ATOM 252 HA ARG A 15 -8.002 9.697 -13.655 1.00 0.00 H ATOM 253 HB2 ARG A 15 -6.750 11.687 -13.029 1.00 0.00 H ATOM 254 HB3 ARG A 15 -5.764 10.569 -14.000 1.00 0.00 H ATOM 255 HG2 ARG A 15 -6.429 12.077 -15.987 1.00 0.00 H ATOM 256 HG3 ARG A 15 -6.868 13.259 -14.732 1.00 0.00 H ATOM 257 HD2 ARG A 15 -4.174 11.882 -15.036 1.00 0.00 H ATOM 258 HD3 ARG A 15 -4.607 13.031 -13.748 1.00 0.00 H ATOM 259 HE ARG A 15 -4.459 14.819 -15.250 1.00 0.00 H ATOM 260 HH12 ARG A 15 -3.550 12.463 -18.468 1.00 0.00 H ATOM 261 HH11 ARG A 15 -4.146 11.684 -16.958 1.00 0.00 H ATOM 262 HH22 ARG A 15 -3.317 14.739 -18.573 1.00 0.00 H ATOM 263 HH21 ARG A 15 -3.727 15.762 -17.148 1.00 0.00 H ATOM 264 H ARG A 15 -6.948 10.036 -16.322 1.00 0.00 H ATOM 265 N ASP A 16 -9.472 11.900 -15.542 1.00 12.61 N ATOM 266 CA ASP A 16 -10.560 12.846 -15.639 1.00 13.66 C ATOM 267 C ASP A 16 -11.851 12.103 -15.893 1.00 12.80 C ATOM 268 O ASP A 16 -12.427 12.120 -16.994 1.00 13.45 O ATOM 269 CB ASP A 16 -10.243 13.903 -16.697 1.00 13.34 C ATOM 270 CG ASP A 16 -9.160 14.832 -16.228 1.00 16.89 C ATOM 271 OD1 ASP A 16 -9.335 15.404 -15.134 1.00 15.42 O ATOM 272 OD2 ASP A 16 -8.124 14.977 -16.921 1.00 19.01 O ATOM 273 HA ASP A 16 -10.685 13.385 -14.700 1.00 0.00 H ATOM 274 HB2 ASP A 16 -9.915 13.406 -17.610 1.00 0.00 H ATOM 275 HB3 ASP A 16 -11.144 14.481 -16.903 1.00 0.00 H ATOM 276 H ASP A 16 -8.971 11.612 -16.407 1.00 0.00 H ATOM 277 N VAL A 17 -12.284 11.405 -14.850 1.00 11.38 N ATOM 278 CA VAL A 17 -13.494 10.604 -14.949 1.00 9.28 C ATOM 279 C VAL A 17 -14.668 11.541 -15.162 1.00 9.63 C ATOM 280 O VAL A 17 -14.804 12.553 -14.466 1.00 10.26 O ATOM 281 CB VAL A 17 -13.720 9.797 -13.648 1.00 7.77 C ATOM 282 CG1 VAL A 17 -15.068 9.090 -13.670 1.00 9.62 C ATOM 283 CG2 VAL A 17 -12.613 8.776 -13.451 1.00 10.46 C ATOM 284 HA VAL A 17 -13.399 9.905 -15.780 1.00 0.00 H ATOM 285 HB VAL A 17 -13.708 10.502 -12.817 1.00 0.00 H ATOM 286 HG11 VAL A 17 -15.863 9.829 -13.765 1.00 0.00 H ATOM 287 HG12 VAL A 17 -15.104 8.405 -14.517 1.00 0.00 H ATOM 288 HG13 VAL A 17 -15.199 8.531 -12.743 1.00 0.00 H ATOM 289 HG21 VAL A 17 -12.601 8.088 -14.296 1.00 0.00 H ATOM 290 HG22 VAL A 17 -11.654 9.290 -13.386 1.00 0.00 H ATOM 291 HG23 VAL A 17 -12.792 8.220 -12.531 1.00 0.00 H ATOM 292 H VAL A 17 -11.754 11.431 -13.956 1.00 0.00 H ATOM 293 N ASP A 18 -15.515 11.184 -16.123 1.00 10.84 N ATOM 294 CA ASP A 18 -16.740 11.929 -16.396 1.00 11.83 C ATOM 295 C ASP A 18 -17.812 11.424 -15.442 1.00 10.35 C ATOM 296 O ASP A 18 -18.652 10.604 -15.800 1.00 9.57 O ATOM 297 CB ASP A 18 -17.177 11.733 -17.860 1.00 13.39 C ATOM 298 CG ASP A 18 -18.339 12.633 -18.269 1.00 16.33 C ATOM 299 OD1 ASP A 18 -19.025 13.216 -17.394 1.00 13.60 O ATOM 300 OD2 ASP A 18 -18.589 12.735 -19.497 1.00 18.52 O ATOM 301 HA ASP A 18 -16.576 12.996 -16.246 1.00 0.00 H ATOM 302 HB2 ASP A 18 -16.327 11.950 -18.507 1.00 0.00 H ATOM 303 HB3 ASP A 18 -17.479 10.694 -17.995 1.00 0.00 H ATOM 304 H ASP A 18 -15.297 10.346 -16.699 1.00 0.00 H ATOM 305 N CYS A 19 -17.760 11.922 -14.214 1.00 9.41 N ATOM 306 CA CYS A 19 -18.618 11.409 -13.144 1.00 9.82 C ATOM 307 C CYS A 19 -20.084 11.446 -13.491 1.00 9.63 C ATOM 308 O CYS A 19 -20.791 10.481 -13.230 1.00 9.57 O ATOM 309 CB CYS A 19 -18.413 12.262 -11.910 1.00 9.33 C ATOM 310 SG CYS A 19 -16.782 12.115 -11.168 1.00 11.53 S ATOM 311 HA CYS A 19 -18.339 10.368 -12.982 1.00 0.00 H ATOM 312 HB2 CYS A 19 -19.154 11.969 -11.166 1.00 0.00 H ATOM 313 HB3 CYS A 19 -18.569 13.305 -12.186 1.00 0.00 H ATOM 314 H CYS A 19 -17.095 12.694 -14.006 1.00 0.00 H ATOM 315 N ASP A 20 -20.560 12.555 -14.062 1.00 10.19 N ATOM 316 CA ASP A 20 -22.004 12.664 -14.330 1.00 9.39 C ATOM 317 C ASP A 20 -22.491 11.638 -15.333 1.00 11.94 C ATOM 318 O ASP A 20 -23.636 11.196 -15.262 1.00 15.03 O ATOM 319 CB ASP A 20 -22.395 14.067 -14.756 1.00 10.03 C ATOM 320 CG ASP A 20 -22.275 15.087 -13.624 1.00 12.56 C ATOM 321 OD1 ASP A 20 -22.042 14.716 -12.450 1.00 14.77 O ATOM 322 OD2 ASP A 20 -22.432 16.292 -13.907 1.00 18.49 O ATOM 323 HA ASP A 20 -22.503 12.449 -13.385 1.00 0.00 H ATOM 324 HB2 ASP A 20 -21.744 14.377 -15.574 1.00 0.00 H ATOM 325 HB3 ASP A 20 -23.429 14.051 -15.102 1.00 0.00 H ATOM 326 H ASP A 20 -19.918 13.333 -14.315 1.00 0.00 H ATOM 327 N ASN A 21 -21.616 11.244 -16.255 1.00 11.55 N ATOM 328 CA ASN A 21 -21.913 10.143 -17.169 1.00 12.47 C ATOM 329 C ASN A 21 -21.806 8.792 -16.479 1.00 12.96 C ATOM 330 O ASN A 21 -22.809 8.082 -16.335 1.00 14.14 O ATOM 331 CB ASN A 21 -20.974 10.222 -18.385 1.00 12.76 C ATOM 332 CG ASN A 21 -21.262 9.148 -19.422 1.00 19.01 C ATOM 333 OD1 ASN A 21 -21.630 8.025 -19.089 1.00 25.91 O ATOM 334 ND2 ASN A 21 -21.071 9.486 -20.683 1.00 22.79 N ATOM 335 HA ASN A 21 -22.945 10.241 -17.506 1.00 0.00 H ATOM 336 HB2 ASN A 21 -21.091 11.199 -18.853 1.00 0.00 H ATOM 337 HB3 ASN A 21 -19.946 10.107 -18.040 1.00 0.00 H ATOM 338 HD22 ASN A 21 -20.759 10.449 -20.922 1.00 0.00 H ATOM 339 HD21 ASN A 21 -21.233 8.790 -21.438 1.00 0.00 H ATOM 340 H ASN A 21 -20.700 11.731 -16.327 1.00 0.00 H ATOM 341 N ILE A 22 -20.607 8.423 -16.033 1.00 11.48 N ATOM 342 CA ILE A 22 -20.411 7.068 -15.530 1.00 11.54 C ATOM 343 C ILE A 22 -21.279 6.757 -14.318 1.00 11.73 C ATOM 344 O ILE A 22 -21.819 5.661 -14.212 1.00 12.23 O ATOM 345 CB ILE A 22 -18.926 6.728 -15.276 1.00 11.03 C ATOM 346 CG1 ILE A 22 -18.755 5.213 -15.075 1.00 12.85 C ATOM 347 CG2 ILE A 22 -18.367 7.536 -14.097 1.00 11.82 C ATOM 348 CD1 ILE A 22 -17.311 4.721 -15.346 1.00 18.85 C ATOM 349 HA ILE A 22 -20.746 6.410 -16.332 1.00 0.00 H ATOM 350 HB ILE A 22 -18.345 7.013 -16.153 1.00 0.00 H ATOM 351 HG12 ILE A 22 -19.018 4.968 -14.046 1.00 0.00 H ATOM 352 HG13 ILE A 22 -19.431 4.694 -15.755 1.00 0.00 H ATOM 353 HD11 ILE A 22 -17.038 4.950 -16.376 1.00 0.00 H ATOM 354 HD12 ILE A 22 -16.624 5.224 -14.666 1.00 0.00 H ATOM 355 HD13 ILE A 22 -17.259 3.644 -15.186 1.00 0.00 H ATOM 356 HG21 ILE A 22 -18.449 8.601 -14.317 1.00 0.00 H ATOM 357 HG22 ILE A 22 -18.937 7.305 -13.197 1.00 0.00 H ATOM 358 HG23 ILE A 22 -17.320 7.275 -13.943 1.00 0.00 H ATOM 359 H ILE A 22 -19.815 9.097 -16.043 1.00 0.00 H ATOM 360 N MET A 23 -21.444 7.720 -13.416 1.00 9.92 N ATOM 361 CA MET A 23 -22.192 7.396 -12.188 1.00 9.71 C ATOM 362 C MET A 23 -23.675 7.145 -12.453 1.00 10.33 C ATOM 363 O MET A 23 -24.361 6.587 -11.594 1.00 11.35 O ATOM 364 CB MET A 23 -22.031 8.511 -11.159 1.00 10.46 C ATOM 365 CG MET A 23 -20.599 8.649 -10.622 1.00 11.43 C ATOM 366 SD MET A 23 -20.005 7.222 -9.711 1.00 10.67 S ATOM 367 CE MET A 23 -21.045 7.266 -8.237 1.00 11.66 C ATOM 368 HA MET A 23 -21.770 6.470 -11.797 1.00 0.00 H ATOM 369 HB2 MET A 23 -22.317 9.454 -11.625 1.00 0.00 H ATOM 370 HB3 MET A 23 -22.696 8.305 -10.320 1.00 0.00 H ATOM 371 HG2 MET A 23 -20.565 9.514 -9.960 1.00 0.00 H ATOM 372 HG3 MET A 23 -19.932 8.815 -11.468 1.00 0.00 H ATOM 373 HE1 MET A 23 -20.887 8.207 -7.711 1.00 0.00 H ATOM 374 HE2 MET A 23 -22.092 7.183 -8.530 1.00 0.00 H ATOM 375 HE3 MET A 23 -20.782 6.434 -7.583 1.00 0.00 H ATOM 376 H MET A 23 -21.057 8.673 -13.572 1.00 0.00 H ATOM 377 N SER A 24 -24.163 7.546 -13.634 1.00 11.60 N ATOM 378 CA SER A 24 -25.569 7.359 -13.995 1.00 13.34 C ATOM 379 C SER A 24 -25.826 6.013 -14.667 1.00 15.94 C ATOM 380 O SER A 24 -26.983 5.639 -14.871 1.00 16.16 O ATOM 381 CB SER A 24 -26.070 8.511 -14.887 1.00 14.10 C ATOM 382 OG SER A 24 -25.550 8.429 -16.198 1.00 19.20 O ATOM 383 HA SER A 24 -26.133 7.367 -13.062 1.00 0.00 H ATOM 384 HB2 SER A 24 -25.762 9.459 -14.445 1.00 0.00 H ATOM 385 HB3 SER A 24 -27.158 8.471 -14.936 1.00 0.00 H ATOM 386 HG SER A 24 -24.562 8.471 -16.163 1.00 0.00 H ATOM 387 H SER A 24 -23.524 8.004 -14.315 1.00 0.00 H ATOM 388 N THR A 25 -24.761 5.284 -15.002 1.00 15.55 N ATOM 389 CA THR A 25 -24.915 3.965 -15.609 1.00 16.99 C ATOM 390 C THR A 25 -25.358 2.937 -14.562 1.00 18.24 C ATOM 391 O THR A 25 -25.187 3.145 -13.351 1.00 17.16 O ATOM 392 CB THR A 25 -23.620 3.508 -16.339 1.00 16.52 C ATOM 393 OG1 THR A 25 -22.562 3.328 -15.391 1.00 15.08 O ATOM 394 CG2 THR A 25 -23.191 4.531 -17.351 1.00 18.18 C ATOM 395 HA THR A 25 -25.696 4.039 -16.366 1.00 0.00 H ATOM 396 HB THR A 25 -23.833 2.567 -16.846 1.00 0.00 H ATOM 397 HG1 THR A 25 -21.742 3.037 -15.864 1.00 0.00 H ATOM 398 HG23 THR A 25 -23.989 4.677 -18.079 1.00 0.00 H ATOM 399 HG21 THR A 25 -22.981 5.474 -16.846 1.00 0.00 H ATOM 400 HG22 THR A 25 -22.292 4.182 -17.860 1.00 0.00 H ATOM 401 H THR A 25 -23.807 5.660 -14.828 1.00 0.00 H ATOM 402 N ASN A 26 -25.886 1.803 -15.025 1.00 20.20 N ATOM 403 CA ASN A 26 -26.459 0.746 -14.164 1.00 20.36 C ATOM 404 C ASN A 26 -25.601 0.273 -13.002 1.00 19.33 C ATOM 405 O ASN A 26 -26.090 -0.108 -11.940 1.00 18.72 O ATOM 406 CB ASN A 26 -26.801 -0.481 -15.011 1.00 21.33 C ATOM 407 CG ASN A 26 -27.971 -0.254 -15.925 1.00 21.83 C ATOM 408 OD1 ASN A 26 -28.651 0.768 -15.848 1.00 29.10 O ATOM 409 ND2 ASN A 26 -28.222 -1.220 -16.804 1.00 27.55 N ATOM 410 HA ASN A 26 -27.332 1.224 -13.719 1.00 0.00 H ATOM 411 HB2 ASN A 26 -25.932 -0.739 -15.616 1.00 0.00 H ATOM 412 HB3 ASN A 26 -27.037 -1.310 -14.343 1.00 0.00 H ATOM 413 HD22 ASN A 26 -27.619 -2.067 -16.832 1.00 0.00 H ATOM 414 HD21 ASN A 26 -29.021 -1.128 -17.463 1.00 0.00 H ATOM 415 H ASN A 26 -25.895 1.653 -16.054 1.00 0.00 H ATOM 416 N LEU A 27 -24.283 0.250 -13.214 1.00 18.54 N ATOM 417 CA LEU A 27 -23.401 -0.272 -12.198 1.00 19.14 C ATOM 418 C LEU A 27 -23.340 0.610 -10.962 1.00 17.09 C ATOM 419 O LEU A 27 -23.144 0.123 -9.856 1.00 17.70 O ATOM 420 CB LEU A 27 -21.997 -0.477 -12.764 1.00 21.63 C ATOM 421 CG LEU A 27 -21.297 -1.739 -12.261 1.00 25.78 C ATOM 422 CD1 LEU A 27 -22.175 -2.965 -12.427 1.00 29.95 C ATOM 423 CD2 LEU A 27 -20.000 -1.902 -13.025 1.00 32.24 C ATOM 424 HA LEU A 27 -23.814 -1.232 -11.888 1.00 0.00 H ATOM 425 HB2 LEU A 27 -22.071 -0.537 -13.850 1.00 0.00 H ATOM 426 HB3 LEU A 27 -21.388 0.384 -12.489 1.00 0.00 H ATOM 427 HG LEU A 27 -21.093 -1.637 -11.195 1.00 0.00 H ATOM 428 HD21 LEU A 27 -20.216 -1.993 -14.089 1.00 0.00 H ATOM 429 HD22 LEU A 27 -19.368 -1.031 -12.855 1.00 0.00 H ATOM 430 HD23 LEU A 27 -19.486 -2.799 -12.679 1.00 0.00 H ATOM 431 HD11 LEU A 27 -23.096 -2.831 -11.859 1.00 0.00 H ATOM 432 HD12 LEU A 27 -22.414 -3.099 -13.482 1.00 0.00 H ATOM 433 HD13 LEU A 27 -21.644 -3.843 -12.059 1.00 0.00 H ATOM 434 H LEU A 27 -23.893 0.607 -14.109 1.00 0.00 H ATOM 435 N PHE A 28 -23.516 1.914 -11.174 1.00 15.42 N ATOM 436 CA PHE A 28 -23.424 2.897 -10.104 1.00 14.38 C ATOM 437 C PHE A 28 -24.766 3.495 -9.724 1.00 12.09 C ATOM 438 O PHE A 28 -24.955 3.899 -8.573 1.00 13.67 O ATOM 439 CB PHE A 28 -22.461 3.995 -10.517 1.00 14.82 C ATOM 440 CG PHE A 28 -21.113 3.474 -10.901 1.00 14.72 C ATOM 441 CD1 PHE A 28 -20.205 3.086 -9.937 1.00 14.48 C ATOM 442 CD2 PHE A 28 -20.780 3.325 -12.235 1.00 15.16 C ATOM 443 CE1 PHE A 28 -18.957 2.593 -10.301 1.00 13.49 C ATOM 444 CE2 PHE A 28 -19.523 2.830 -12.608 1.00 15.88 C ATOM 445 CZ PHE A 28 -18.623 2.482 -11.638 1.00 15.70 C ATOM 446 HA PHE A 28 -23.057 2.379 -9.218 1.00 0.00 H ATOM 447 HB2 PHE A 28 -22.884 4.527 -11.369 1.00 0.00 H ATOM 448 HB3 PHE A 28 -22.342 4.686 -9.682 1.00 0.00 H ATOM 449 HD2 PHE A 28 -21.503 3.595 -13.005 1.00 0.00 H ATOM 450 HE2 PHE A 28 -19.265 2.723 -13.662 1.00 0.00 H ATOM 451 HZ PHE A 28 -17.636 2.115 -11.921 1.00 0.00 H ATOM 452 HE1 PHE A 28 -18.243 2.294 -9.533 1.00 0.00 H ATOM 453 HD1 PHE A 28 -20.468 3.167 -8.882 1.00 0.00 H ATOM 454 H PHE A 28 -23.727 2.241 -12.138 1.00 0.00 H ATOM 455 N HIS A 29 -25.684 3.510 -10.691 1.00 11.43 N ATOM 456 CA HIS A 29 -27.086 3.908 -10.473 1.00 11.51 C ATOM 457 C HIS A 29 -27.265 5.134 -9.574 1.00 11.22 C ATOM 458 O HIS A 29 -28.130 5.131 -8.688 1.00 10.71 O ATOM 459 CB HIS A 29 -27.915 2.711 -9.935 1.00 11.94 C ATOM 460 CG HIS A 29 -27.364 2.095 -8.688 1.00 11.95 C ATOM 461 ND1 HIS A 29 -27.476 2.692 -7.446 1.00 13.77 N ATOM 462 CD2 HIS A 29 -26.683 0.941 -8.487 1.00 14.33 C ATOM 463 CE1 HIS A 29 -26.885 1.936 -6.541 1.00 12.82 C ATOM 464 NE2 HIS A 29 -26.401 0.862 -7.145 1.00 17.07 N ATOM 465 HA HIS A 29 -27.460 4.207 -11.452 1.00 0.00 H ATOM 466 HB2 HIS A 29 -28.926 3.061 -9.726 1.00 0.00 H ATOM 467 HB3 HIS A 29 -27.950 1.944 -10.709 1.00 0.00 H ATOM 468 HD2 HIS A 29 -26.410 0.211 -9.249 1.00 0.00 H ATOM 469 HE1 HIS A 29 -26.808 2.158 -5.477 1.00 0.00 H ATOM 470 H HIS A 29 -25.395 3.226 -11.649 1.00 0.00 H ATOM 471 N CYS A 30 -26.486 6.192 -9.828 1.00 9.75 N ATOM 472 CA CYS A 30 -26.647 7.468 -9.111 1.00 11.23 C ATOM 473 C CYS A 30 -26.380 7.395 -7.597 1.00 11.08 C ATOM 474 O CYS A 30 -26.896 8.223 -6.852 1.00 10.62 O ATOM 475 CB CYS A 30 -28.024 8.106 -9.402 1.00 11.39 C ATOM 476 SG CYS A 30 -28.157 8.662 -11.101 1.00 11.49 S ATOM 477 HA CYS A 30 -25.864 8.113 -9.508 1.00 0.00 H ATOM 478 HB2 CYS A 30 -28.164 8.960 -8.739 1.00 0.00 H ATOM 479 HB3 CYS A 30 -28.802 7.367 -9.211 1.00 0.00 H ATOM 480 H CYS A 30 -25.745 6.111 -10.553 1.00 0.00 H ATOM 481 N LYS A 31 -25.530 6.464 -7.156 1.00 11.83 N ATOM 482 CA LYS A 31 -25.141 6.385 -5.737 1.00 12.67 C ATOM 483 C LYS A 31 -24.286 7.588 -5.328 1.00 12.18 C ATOM 484 O LYS A 31 -23.732 8.283 -6.199 1.00 11.77 O ATOM 485 CB LYS A 31 -24.382 5.081 -5.446 1.00 12.94 C ATOM 486 CG LYS A 31 -23.008 5.019 -6.080 1.00 14.10 C ATOM 487 CD LYS A 31 -22.450 3.599 -6.052 1.00 19.50 C ATOM 488 CE LYS A 31 -22.243 3.080 -4.656 1.00 24.97 C ATOM 489 NZ LYS A 31 -21.870 1.622 -4.725 1.00 29.53 N ATOM 490 HA LYS A 31 -26.058 6.396 -5.148 1.00 0.00 H ATOM 491 HB2 LYS A 31 -24.267 4.983 -4.366 1.00 0.00 H ATOM 492 HB3 LYS A 31 -24.973 4.247 -5.824 1.00 0.00 H ATOM 493 HG2 LYS A 31 -23.078 5.353 -7.115 1.00 0.00 H ATOM 494 HG3 LYS A 31 -22.333 5.677 -5.532 1.00 0.00 H ATOM 495 HD2 LYS A 31 -23.148 2.940 -6.569 1.00 0.00 H ATOM 496 HD3 LYS A 31 -21.492 3.591 -6.572 1.00 0.00 H ATOM 497 HE2 LYS A 31 -23.163 3.195 -4.083 1.00 0.00 H ATOM 498 HE3 LYS A 31 -21.442 3.640 -4.173 1.00 0.00 H ATOM 499 HZ1 LYS A 31 -22.636 1.091 -5.187 1.00 0.00 H ATOM 500 HZ2 LYS A 31 -20.993 1.515 -5.273 1.00 0.00 H ATOM 501 HZ3 LYS A 31 -21.725 1.257 -3.762 1.00 0.00 H ATOM 502 H LYS A 31 -25.133 5.779 -7.830 1.00 0.00 H ATOM 503 N ASP A 32 -24.149 7.823 -4.023 1.00 10.56 N ATOM 504 CA ASP A 32 -23.521 9.063 -3.566 1.00 11.41 C ATOM 505 C ASP A 32 -22.043 9.215 -3.959 1.00 12.14 C ATOM 506 O ASP A 32 -21.575 10.323 -4.229 1.00 12.11 O ATOM 507 CB ASP A 32 -23.647 9.201 -2.053 1.00 12.12 C ATOM 508 CG ASP A 32 -25.036 9.656 -1.607 1.00 14.68 C ATOM 509 OD1 ASP A 32 -25.989 9.693 -2.426 1.00 14.28 O ATOM 510 OD2 ASP A 32 -25.153 9.996 -0.410 1.00 19.05 O ATOM 511 HA ASP A 32 -24.064 9.857 -4.078 1.00 0.00 H ATOM 512 HB2 ASP A 32 -23.435 8.234 -1.597 1.00 0.00 H ATOM 513 HB3 ASP A 32 -22.915 9.932 -1.709 1.00 0.00 H ATOM 514 H ASP A 32 -24.488 7.125 -3.330 1.00 0.00 H ATOM 515 N LYS A 33 -21.298 8.123 -3.940 1.00 12.22 N ATOM 516 CA LYS A 33 -19.831 8.194 -4.050 1.00 12.75 C ATOM 517 C LYS A 33 -19.235 6.964 -4.732 1.00 12.05 C ATOM 518 O LYS A 33 -19.733 5.859 -4.538 1.00 12.55 O ATOM 519 CB LYS A 33 -19.237 8.311 -2.637 1.00 13.12 C ATOM 520 CG LYS A 33 -17.779 8.774 -2.594 1.00 15.45 C ATOM 521 CD LYS A 33 -17.263 8.980 -1.166 1.00 15.53 C ATOM 522 CE LYS A 33 -15.745 9.178 -1.183 1.00 22.24 C ATOM 523 NZ LYS A 33 -15.146 9.601 0.121 1.00 24.21 N ATOM 524 HA LYS A 33 -19.586 9.062 -4.661 1.00 0.00 H ATOM 525 HB2 LYS A 33 -19.837 9.025 -2.074 1.00 0.00 H ATOM 526 HB3 LYS A 33 -19.297 7.332 -2.161 1.00 0.00 H ATOM 527 HG2 LYS A 33 -17.160 8.022 -3.083 1.00 0.00 H ATOM 528 HG3 LYS A 33 -17.697 9.717 -3.134 1.00 0.00 H ATOM 529 HD2 LYS A 33 -17.738 9.861 -0.734 1.00 0.00 H ATOM 530 HD3 LYS A 33 -17.507 8.105 -0.564 1.00 0.00 H ATOM 531 HE2 LYS A 33 -15.512 9.941 -1.925 1.00 0.00 H ATOM 532 HE3 LYS A 33 -15.284 8.235 -1.476 1.00 0.00 H ATOM 533 HZ1 LYS A 33 -15.561 10.508 0.414 1.00 0.00 H ATOM 534 HZ2 LYS A 33 -15.344 8.879 0.843 1.00 0.00 H ATOM 535 HZ3 LYS A 33 -14.118 9.709 0.010 1.00 0.00 H ATOM 536 H LYS A 33 -21.757 7.195 -3.845 1.00 0.00 H ATOM 537 N ASN A 34 -18.144 7.145 -5.463 1.00 10.49 N ATOM 538 CA ASN A 34 -17.362 6.008 -5.934 1.00 10.35 C ATOM 539 C ASN A 34 -15.939 6.440 -6.152 1.00 10.97 C ATOM 540 O ASN A 34 -15.703 7.543 -6.633 1.00 10.51 O ATOM 541 CB ASN A 34 -17.928 5.411 -7.228 1.00 8.66 C ATOM 542 CG ASN A 34 -17.291 4.078 -7.578 1.00 14.52 C ATOM 543 OD1 ASN A 34 -17.604 3.050 -6.976 1.00 14.29 O ATOM 544 ND2 ASN A 34 -16.388 4.089 -8.544 1.00 10.66 N ATOM 545 HA ASN A 34 -17.409 5.231 -5.171 1.00 0.00 H ATOM 546 HB2 ASN A 34 -19.001 5.265 -7.106 1.00 0.00 H ATOM 547 HB3 ASN A 34 -17.748 6.110 -8.044 1.00 0.00 H ATOM 548 HD22 ASN A 34 -16.154 4.980 -9.027 1.00 0.00 H ATOM 549 HD21 ASN A 34 -15.912 3.207 -8.821 1.00 0.00 H ATOM 550 H ASN A 34 -17.842 8.111 -5.704 1.00 0.00 H ATOM 551 N THR A 35 -15.004 5.571 -5.788 1.00 10.71 N ATOM 552 CA THR A 35 -13.580 5.854 -5.975 1.00 8.73 C ATOM 553 C THR A 35 -13.036 5.041 -7.123 1.00 9.14 C ATOM 554 O THR A 35 -13.167 3.804 -7.129 1.00 10.46 O ATOM 555 CB THR A 35 -12.763 5.512 -4.727 1.00 9.51 C ATOM 556 OG1 THR A 35 -13.264 6.268 -3.612 1.00 11.54 O ATOM 557 CG2 THR A 35 -11.297 5.865 -4.957 1.00 11.40 C ATOM 558 HA THR A 35 -13.493 6.921 -6.178 1.00 0.00 H ATOM 559 HB THR A 35 -12.849 4.445 -4.520 1.00 0.00 H ATOM 560 HG1 THR A 35 -13.183 7.235 -3.808 1.00 0.00 H ATOM 561 HG23 THR A 35 -10.915 5.293 -5.802 1.00 0.00 H ATOM 562 HG21 THR A 35 -11.210 6.931 -5.169 1.00 0.00 H ATOM 563 HG22 THR A 35 -10.722 5.623 -4.063 1.00 0.00 H ATOM 564 H THR A 35 -15.290 4.667 -5.360 1.00 0.00 H ATOM 565 N PHE A 36 -12.416 5.721 -8.090 1.00 9.42 N ATOM 566 CA PHE A 36 -11.750 5.018 -9.192 1.00 11.13 C ATOM 567 C PHE A 36 -10.242 5.097 -9.043 1.00 11.21 C ATOM 568 O PHE A 36 -9.712 6.111 -8.596 1.00 10.64 O ATOM 569 CB PHE A 36 -12.100 5.650 -10.541 1.00 9.56 C ATOM 570 CG PHE A 36 -13.570 5.597 -10.882 1.00 10.33 C ATOM 571 CD1 PHE A 36 -14.436 6.610 -10.445 1.00 11.65 C ATOM 572 CD2 PHE A 36 -14.081 4.540 -11.639 1.00 10.23 C ATOM 573 CE1 PHE A 36 -15.820 6.568 -10.756 1.00 9.57 C ATOM 574 CE2 PHE A 36 -15.439 4.492 -11.958 1.00 11.99 C ATOM 575 CZ PHE A 36 -16.298 5.511 -11.534 1.00 10.36 C ATOM 576 HA PHE A 36 -12.091 3.983 -9.157 1.00 0.00 H ATOM 577 HB2 PHE A 36 -11.790 6.695 -10.521 1.00 0.00 H ATOM 578 HB3 PHE A 36 -11.548 5.124 -11.320 1.00 0.00 H ATOM 579 HD2 PHE A 36 -13.415 3.748 -11.983 1.00 0.00 H ATOM 580 HE2 PHE A 36 -15.831 3.658 -12.539 1.00 0.00 H ATOM 581 HZ PHE A 36 -17.351 5.480 -11.813 1.00 0.00 H ATOM 582 HE1 PHE A 36 -16.495 7.344 -10.396 1.00 0.00 H ATOM 583 HD1 PHE A 36 -14.041 7.440 -9.859 1.00 0.00 H ATOM 584 H PHE A 36 -12.405 6.761 -8.062 1.00 0.00 H ATOM 585 N ILE A 37 -9.563 4.025 -9.449 1.00 11.01 N ATOM 586 CA ILE A 37 -8.096 3.972 -9.409 1.00 11.03 C ATOM 587 C ILE A 37 -7.606 4.218 -10.836 1.00 10.19 C ATOM 588 O ILE A 37 -7.968 3.473 -11.763 1.00 8.77 O ATOM 589 CB ILE A 37 -7.599 2.588 -8.920 1.00 9.54 C ATOM 590 CG1 ILE A 37 -8.206 2.219 -7.551 1.00 10.86 C ATOM 591 CG2 ILE A 37 -6.084 2.556 -8.883 1.00 13.80 C ATOM 592 CD1 ILE A 37 -8.350 0.702 -7.381 1.00 9.96 C ATOM 593 HA ILE A 37 -7.712 4.720 -8.716 1.00 0.00 H ATOM 594 HB ILE A 37 -7.939 1.834 -9.630 1.00 0.00 H ATOM 595 HG12 ILE A 37 -7.558 2.603 -6.763 1.00 0.00 H ATOM 596 HG13 ILE A 37 -9.191 2.679 -7.466 1.00 0.00 H ATOM 597 HD11 ILE A 37 -9.002 0.311 -8.162 1.00 0.00 H ATOM 598 HD12 ILE A 37 -7.368 0.234 -7.458 1.00 0.00 H ATOM 599 HD13 ILE A 37 -8.781 0.487 -6.403 1.00 0.00 H ATOM 600 HG21 ILE A 37 -5.693 2.742 -9.883 1.00 0.00 H ATOM 601 HG22 ILE A 37 -5.722 3.326 -8.201 1.00 0.00 H ATOM 602 HG23 ILE A 37 -5.751 1.577 -8.538 1.00 0.00 H ATOM 603 H ILE A 37 -10.088 3.201 -9.805 1.00 0.00 H ATOM 604 N TYR A 38 -6.796 5.271 -11.021 1.00 10.59 N ATOM 605 CA TYR A 38 -6.280 5.597 -12.344 1.00 12.57 C ATOM 606 C TYR A 38 -4.999 4.811 -12.535 1.00 12.69 C ATOM 607 O TYR A 38 -3.911 5.233 -12.113 1.00 13.14 O ATOM 608 CB TYR A 38 -6.065 7.092 -12.484 1.00 12.90 C ATOM 609 CG TYR A 38 -5.359 7.498 -13.758 1.00 13.48 C ATOM 610 CD1 TYR A 38 -5.753 6.974 -14.990 1.00 16.01 C ATOM 611 CD2 TYR A 38 -4.306 8.409 -13.718 1.00 17.87 C ATOM 612 CE1 TYR A 38 -5.113 7.364 -16.171 1.00 15.52 C ATOM 613 CE2 TYR A 38 -3.667 8.794 -14.875 1.00 18.21 C ATOM 614 CZ TYR A 38 -4.071 8.259 -16.089 1.00 15.75 C ATOM 615 OH TYR A 38 -3.452 8.622 -17.255 1.00 19.95 O ATOM 616 HA TYR A 38 -6.993 5.323 -13.121 1.00 0.00 H ATOM 617 HB3 TYR A 38 -5.468 7.433 -11.638 1.00 0.00 H ATOM 618 HB2 TYR A 38 -7.039 7.582 -12.461 1.00 0.00 H ATOM 619 HD2 TYR A 38 -3.985 8.821 -12.761 1.00 0.00 H ATOM 620 HE2 TYR A 38 -2.850 9.514 -14.837 1.00 0.00 H ATOM 621 HE1 TYR A 38 -5.433 6.968 -17.135 1.00 0.00 H ATOM 622 HD1 TYR A 38 -6.569 6.252 -15.032 1.00 0.00 H ATOM 623 HH TYR A 38 -2.492 8.387 -17.205 1.00 0.00 H ATOM 624 H TYR A 38 -6.532 5.864 -10.208 1.00 0.00 H ATOM 625 N SER A 39 -5.154 3.635 -13.120 1.00 12.06 N ATOM 626 CA SER A 39 -4.031 2.713 -13.301 1.00 13.91 C ATOM 627 C SER A 39 -4.443 1.665 -14.296 1.00 15.53 C ATOM 628 O SER A 39 -5.634 1.430 -14.523 1.00 16.43 O ATOM 629 CB SER A 39 -3.700 2.017 -11.976 1.00 13.59 C ATOM 630 OG SER A 39 -2.605 1.116 -12.098 1.00 19.37 O ATOM 631 HA SER A 39 -3.157 3.266 -13.646 1.00 0.00 H ATOM 632 HB2 SER A 39 -4.576 1.461 -11.643 1.00 0.00 H ATOM 633 HB3 SER A 39 -3.449 2.775 -11.234 1.00 0.00 H ATOM 634 HG SER A 39 -1.801 1.613 -12.393 1.00 0.00 H ATOM 635 H SER A 39 -6.097 3.358 -13.460 1.00 0.00 H ATOM 636 N ARG A 40 -3.455 1.043 -14.928 1.00 17.38 N ATOM 637 CA ARG A 40 -3.718 -0.199 -15.636 1.00 17.91 C ATOM 638 C ARG A 40 -4.019 -1.272 -14.582 1.00 19.20 C ATOM 639 O ARG A 40 -3.556 -1.161 -13.442 1.00 18.60 O ATOM 640 CB ARG A 40 -2.540 -0.580 -16.534 1.00 19.13 C ATOM 641 CG ARG A 40 -2.446 0.269 -17.802 1.00 19.78 C ATOM 642 CD ARG A 40 -1.603 -0.409 -18.883 1.00 26.26 C ATOM 643 NE ARG A 40 -1.520 0.399 -20.101 1.00 31.75 N ATOM 644 CZ ARG A 40 -2.430 0.413 -21.076 1.00 32.88 C ATOM 645 NH1 ARG A 40 -3.520 -0.338 -21.000 1.00 37.16 N ATOM 646 NH2 ARG A 40 -2.251 1.191 -22.135 1.00 36.63 N ATOM 647 HA ARG A 40 -4.574 -0.092 -16.302 1.00 0.00 H ATOM 648 HB2 ARG A 40 -1.618 -0.457 -15.966 1.00 0.00 H ATOM 649 HB3 ARG A 40 -2.650 -1.625 -16.824 1.00 0.00 H ATOM 650 HG2 ARG A 40 -3.451 0.434 -18.191 1.00 0.00 H ATOM 651 HG3 ARG A 40 -1.993 1.228 -17.551 1.00 0.00 H ATOM 652 HD2 ARG A 40 -2.053 -1.371 -19.129 1.00 0.00 H ATOM 653 HD3 ARG A 40 -0.596 -0.568 -18.497 1.00 0.00 H ATOM 654 HE ARG A 40 -0.686 1.010 -20.215 1.00 0.00 H ATOM 655 HH12 ARG A 40 -4.221 -0.317 -21.768 1.00 0.00 H ATOM 656 HH11 ARG A 40 -3.674 -0.949 -20.172 1.00 0.00 H ATOM 657 HH22 ARG A 40 -2.959 1.204 -22.897 1.00 0.00 H ATOM 658 HH21 ARG A 40 -1.403 1.788 -22.204 1.00 0.00 H ATOM 659 H ARG A 40 -2.495 1.443 -14.917 1.00 0.00 H ATOM 660 N PRO A 41 -4.832 -2.299 -14.941 1.00 20.11 N ATOM 661 CA PRO A 41 -5.251 -3.289 -13.939 1.00 21.11 C ATOM 662 C PRO A 41 -4.164 -4.158 -13.317 1.00 21.37 C ATOM 663 O PRO A 41 -4.330 -4.591 -12.169 1.00 21.48 O ATOM 664 CB PRO A 41 -6.232 -4.181 -14.712 1.00 22.20 C ATOM 665 CG PRO A 41 -5.846 -4.015 -16.131 1.00 24.14 C ATOM 666 CD PRO A 41 -5.471 -2.572 -16.243 1.00 21.46 C ATOM 667 HA PRO A 41 -5.650 -2.758 -13.075 1.00 0.00 H ATOM 668 HD3 PRO A 41 -4.774 -2.410 -17.065 1.00 0.00 H ATOM 669 HD2 PRO A 41 -6.352 -1.947 -16.387 1.00 0.00 H ATOM 670 HG3 PRO A 41 -6.682 -4.250 -16.789 1.00 0.00 H ATOM 671 HG2 PRO A 41 -4.999 -4.655 -16.379 1.00 0.00 H ATOM 672 HB2 PRO A 41 -6.131 -5.222 -14.404 1.00 0.00 H ATOM 673 HB3 PRO A 41 -7.259 -3.854 -14.551 1.00 0.00 H ATOM 674 N GLU A 42 -3.069 -4.402 -14.046 1.00 22.03 N ATOM 675 CA GLU A 42 -2.065 -5.350 -13.580 1.00 21.86 C ATOM 676 C GLU A 42 -1.461 -5.017 -12.194 1.00 20.59 C ATOM 677 O GLU A 42 -1.480 -5.885 -11.308 1.00 21.22 O ATOM 678 CB GLU A 42 -1.012 -5.635 -14.668 1.00 23.19 C ATOM 679 CG GLU A 42 -1.520 -6.554 -15.804 1.00 24.81 C ATOM 680 CD GLU A 42 -2.498 -5.871 -16.774 1.00 27.60 C ATOM 681 OE1 GLU A 42 -2.452 -4.627 -16.906 1.00 25.85 O ATOM 682 OE2 GLU A 42 -3.313 -6.584 -17.412 1.00 26.63 O ATOM 683 HA GLU A 42 -2.594 -6.286 -13.400 1.00 0.00 H ATOM 684 HB2 GLU A 42 -0.704 -4.685 -15.106 1.00 0.00 H ATOM 685 HB3 GLU A 42 -0.152 -6.113 -14.198 1.00 0.00 H ATOM 686 HG2 GLU A 42 -0.659 -6.902 -16.374 1.00 0.00 H ATOM 687 HG3 GLU A 42 -2.025 -7.408 -15.353 1.00 0.00 H ATOM 688 H GLU A 42 -2.933 -3.911 -14.953 1.00 0.00 H ATOM 689 N PRO A 43 -0.945 -3.773 -11.970 1.00 19.62 N ATOM 690 CA PRO A 43 -0.436 -3.517 -10.609 1.00 18.92 C ATOM 691 C PRO A 43 -1.515 -3.501 -9.521 1.00 17.77 C ATOM 692 O PRO A 43 -1.197 -3.656 -8.334 1.00 16.97 O ATOM 693 CB PRO A 43 0.203 -2.118 -10.719 1.00 21.35 C ATOM 694 CG PRO A 43 -0.472 -1.488 -11.830 1.00 19.01 C ATOM 695 CD PRO A 43 -0.740 -2.588 -12.830 1.00 19.94 C ATOM 696 HA PRO A 43 0.243 -4.314 -10.305 1.00 0.00 H ATOM 697 HD3 PRO A 43 -1.630 -2.373 -13.421 1.00 0.00 H ATOM 698 HD2 PRO A 43 0.111 -2.729 -13.496 1.00 0.00 H ATOM 699 HG3 PRO A 43 0.162 -0.719 -12.272 1.00 0.00 H ATOM 700 HG2 PRO A 43 -1.409 -1.039 -11.500 1.00 0.00 H ATOM 701 HB2 PRO A 43 0.045 -1.551 -9.802 1.00 0.00 H ATOM 702 HB3 PRO A 43 1.272 -2.199 -10.915 1.00 0.00 H ATOM 703 N VAL A 44 -2.766 -3.283 -9.916 1.00 17.05 N ATOM 704 CA VAL A 44 -3.866 -3.309 -8.943 1.00 15.22 C ATOM 705 C VAL A 44 -4.134 -4.756 -8.546 1.00 14.52 C ATOM 706 O VAL A 44 -4.226 -5.074 -7.358 1.00 14.87 O ATOM 707 CB VAL A 44 -5.152 -2.607 -9.465 1.00 13.09 C ATOM 708 CG1 VAL A 44 -6.312 -2.792 -8.481 1.00 12.47 C ATOM 709 CG2 VAL A 44 -4.916 -1.128 -9.669 1.00 16.49 C ATOM 710 HA VAL A 44 -3.564 -2.737 -8.065 1.00 0.00 H ATOM 711 HB VAL A 44 -5.408 -3.067 -10.419 1.00 0.00 H ATOM 712 HG11 VAL A 44 -6.517 -3.856 -8.359 1.00 0.00 H ATOM 713 HG12 VAL A 44 -6.042 -2.360 -7.518 1.00 0.00 H ATOM 714 HG13 VAL A 44 -7.199 -2.292 -8.869 1.00 0.00 H ATOM 715 HG21 VAL A 44 -4.629 -0.673 -8.721 1.00 0.00 H ATOM 716 HG22 VAL A 44 -4.118 -0.986 -10.398 1.00 0.00 H ATOM 717 HG23 VAL A 44 -5.831 -0.662 -10.034 1.00 0.00 H ATOM 718 H VAL A 44 -2.966 -3.093 -10.919 1.00 0.00 H ATOM 719 N LYS A 45 -4.207 -5.645 -9.534 1.00 14.32 N ATOM 720 CA LYS A 45 -4.449 -7.056 -9.220 1.00 14.04 C ATOM 721 C LYS A 45 -3.373 -7.610 -8.287 1.00 13.91 C ATOM 722 O LYS A 45 -3.667 -8.420 -7.392 1.00 13.82 O ATOM 723 CB LYS A 45 -4.520 -7.914 -10.486 1.00 14.43 C ATOM 724 CG LYS A 45 -5.362 -9.153 -10.227 1.00 13.68 C ATOM 725 CD LYS A 45 -5.283 -10.189 -11.335 1.00 16.28 C ATOM 726 CE LYS A 45 -6.241 -11.330 -11.057 1.00 19.81 C ATOM 727 NZ LYS A 45 -6.168 -12.336 -12.166 1.00 21.91 N ATOM 728 HA LYS A 45 -5.414 -7.103 -8.715 1.00 0.00 H ATOM 729 HB2 LYS A 45 -4.970 -7.333 -11.291 1.00 0.00 H ATOM 730 HB3 LYS A 45 -3.513 -8.215 -10.775 1.00 0.00 H ATOM 731 HG2 LYS A 45 -5.020 -9.614 -9.300 1.00 0.00 H ATOM 732 HG3 LYS A 45 -6.402 -8.846 -10.117 1.00 0.00 H ATOM 733 HD2 LYS A 45 -5.546 -9.722 -12.284 1.00 0.00 H ATOM 734 HD3 LYS A 45 -4.266 -10.578 -11.392 1.00 0.00 H ATOM 735 HE2 LYS A 45 -7.257 -10.941 -10.987 1.00 0.00 H ATOM 736 HE3 LYS A 45 -5.971 -11.808 -10.116 1.00 0.00 H ATOM 737 HZ1 LYS A 45 -6.427 -11.880 -13.064 1.00 0.00 H ATOM 738 HZ2 LYS A 45 -5.199 -12.708 -12.232 1.00 0.00 H ATOM 739 HZ3 LYS A 45 -6.827 -13.116 -11.969 1.00 0.00 H ATOM 740 H LYS A 45 -4.093 -5.340 -10.522 1.00 0.00 H ATOM 741 N ALA A 46 -2.134 -7.152 -8.497 1.00 15.00 N ATOM 742 CA ALA A 46 -0.960 -7.652 -7.780 1.00 14.95 C ATOM 743 C ALA A 46 -1.029 -7.440 -6.277 1.00 14.86 C ATOM 744 O ALA A 46 -0.412 -8.184 -5.518 1.00 14.09 O ATOM 745 CB ALA A 46 0.316 -7.050 -8.363 1.00 17.27 C ATOM 746 HA ALA A 46 -0.946 -8.732 -7.925 1.00 0.00 H ATOM 747 HB1 ALA A 46 0.398 -7.324 -9.415 1.00 0.00 H ATOM 748 HB2 ALA A 46 0.279 -5.965 -8.271 1.00 0.00 H ATOM 749 HB3 ALA A 46 1.179 -7.433 -7.818 1.00 0.00 H ATOM 750 H ALA A 46 -1.998 -6.403 -9.205 1.00 0.00 H ATOM 751 N ILE A 47 -1.815 -6.452 -5.842 1.00 13.57 N ATOM 752 CA ILE A 47 -2.026 -6.205 -4.416 1.00 13.57 C ATOM 753 C ILE A 47 -2.426 -7.505 -3.701 1.00 12.88 C ATOM 754 O ILE A 47 -2.010 -7.738 -2.562 1.00 14.49 O ATOM 755 CB ILE A 47 -3.148 -5.138 -4.199 1.00 12.33 C ATOM 756 CG1 ILE A 47 -2.748 -3.805 -4.837 1.00 14.11 C ATOM 757 CG2 ILE A 47 -3.474 -4.988 -2.699 1.00 14.89 C ATOM 758 CD1 ILE A 47 -3.935 -2.813 -5.056 1.00 14.43 C ATOM 759 HA ILE A 47 -1.090 -5.832 -4.000 1.00 0.00 H ATOM 760 HB ILE A 47 -4.058 -5.477 -4.694 1.00 0.00 H ATOM 761 HG12 ILE A 47 -2.015 -3.323 -4.190 1.00 0.00 H ATOM 762 HG13 ILE A 47 -2.294 -4.013 -5.806 1.00 0.00 H ATOM 763 HD11 ILE A 47 -4.674 -3.272 -5.713 1.00 0.00 H ATOM 764 HD12 ILE A 47 -4.395 -2.581 -4.095 1.00 0.00 H ATOM 765 HD13 ILE A 47 -3.561 -1.896 -5.512 1.00 0.00 H ATOM 766 HG21 ILE A 47 -3.816 -5.945 -2.305 1.00 0.00 H ATOM 767 HG22 ILE A 47 -2.578 -4.673 -2.164 1.00 0.00 H ATOM 768 HG23 ILE A 47 -4.257 -4.241 -2.572 1.00 0.00 H ATOM 769 H ILE A 47 -2.290 -5.841 -6.537 1.00 0.00 H ATOM 770 N CYS A 48 -3.209 -8.347 -4.388 1.00 11.82 N ATOM 771 CA CYS A 48 -3.866 -9.506 -3.767 1.00 12.17 C ATOM 772 C CYS A 48 -3.206 -10.818 -4.100 1.00 14.51 C ATOM 773 O CYS A 48 -3.738 -11.875 -3.755 1.00 16.00 O ATOM 774 CB CYS A 48 -5.329 -9.582 -4.183 1.00 11.94 C ATOM 775 SG CYS A 48 -6.271 -8.146 -3.624 1.00 13.35 S ATOM 776 HA CYS A 48 -3.778 -9.350 -2.692 1.00 0.00 H ATOM 777 HB2 CYS A 48 -5.770 -10.481 -3.753 1.00 0.00 H ATOM 778 HB3 CYS A 48 -5.383 -9.636 -5.270 1.00 0.00 H ATOM 779 H CYS A 48 -3.358 -8.174 -5.403 1.00 0.00 H ATOM 780 N LYS A 49 -2.050 -10.757 -4.755 1.00 15.48 N ATOM 781 CA LYS A 49 -1.346 -11.998 -5.121 1.00 17.17 C ATOM 782 C LYS A 49 -1.216 -12.920 -3.902 1.00 17.88 C ATOM 783 O LYS A 49 -0.846 -12.470 -2.818 1.00 17.80 O ATOM 784 CB LYS A 49 0.024 -11.660 -5.713 1.00 17.38 C ATOM 785 CG LYS A 49 0.797 -12.888 -6.242 1.00 23.47 C ATOM 786 CD LYS A 49 1.816 -12.488 -7.301 1.00 31.36 C ATOM 787 CE LYS A 49 2.997 -13.472 -7.362 1.00 35.99 C ATOM 788 NZ LYS A 49 2.624 -14.894 -7.096 1.00 38.45 N ATOM 789 HA LYS A 49 -1.924 -12.530 -5.877 1.00 0.00 H ATOM 790 HB2 LYS A 49 -0.121 -10.963 -6.539 1.00 0.00 H ATOM 791 HB3 LYS A 49 0.625 -11.183 -4.938 1.00 0.00 H ATOM 792 HG2 LYS A 49 1.317 -13.365 -5.411 1.00 0.00 H ATOM 793 HG3 LYS A 49 0.089 -13.592 -6.679 1.00 0.00 H ATOM 794 HD2 LYS A 49 1.324 -12.467 -8.273 1.00 0.00 H ATOM 795 HD3 LYS A 49 2.197 -11.494 -7.066 1.00 0.00 H ATOM 796 HE2 LYS A 49 3.735 -13.167 -6.620 1.00 0.00 H ATOM 797 HE3 LYS A 49 3.439 -13.415 -8.357 1.00 0.00 H ATOM 798 HZ1 LYS A 49 2.211 -14.971 -6.145 1.00 0.00 H ATOM 799 HZ2 LYS A 49 1.929 -15.207 -7.803 1.00 0.00 H ATOM 800 HZ3 LYS A 49 3.474 -15.491 -7.156 1.00 0.00 H ATOM 801 H LYS A 49 -1.644 -9.834 -5.009 1.00 0.00 H ATOM 802 N GLY A 50 -1.553 -14.199 -4.081 1.00 18.16 N ATOM 803 CA GLY A 50 -1.340 -15.215 -3.060 1.00 18.77 C ATOM 804 C GLY A 50 -2.350 -15.236 -1.936 1.00 19.02 C ATOM 805 O GLY A 50 -2.308 -16.133 -1.086 1.00 20.79 O ATOM 806 HA3 GLY A 50 -0.355 -15.050 -2.623 1.00 0.00 H ATOM 807 HA2 GLY A 50 -1.361 -16.190 -3.548 1.00 0.00 H ATOM 808 H GLY A 50 -1.984 -14.481 -4.984 1.00 0.00 H ATOM 809 N ILE A 51 -3.241 -14.237 -1.914 1.00 17.22 N ATOM 810 CA ILE A 51 -4.278 -14.155 -0.879 1.00 17.11 C ATOM 811 C ILE A 51 -5.476 -14.974 -1.329 1.00 17.62 C ATOM 812 O ILE A 51 -6.127 -14.648 -2.333 1.00 17.09 O ATOM 813 CB ILE A 51 -4.680 -12.684 -0.572 1.00 16.83 C ATOM 814 CG1 ILE A 51 -3.462 -11.932 -0.038 1.00 19.07 C ATOM 815 CG2 ILE A 51 -5.846 -12.636 0.485 1.00 21.50 C ATOM 816 CD1 ILE A 51 -3.753 -10.535 0.368 1.00 23.19 C ATOM 817 HA ILE A 51 -3.884 -14.561 0.053 1.00 0.00 H ATOM 818 HB ILE A 51 -5.031 -12.213 -1.490 1.00 0.00 H ATOM 819 HG12 ILE A 51 -3.078 -12.470 0.829 1.00 0.00 H ATOM 820 HG13 ILE A 51 -2.701 -11.912 -0.818 1.00 0.00 H ATOM 821 HD11 ILE A 51 -4.127 -9.979 -0.491 1.00 0.00 H ATOM 822 HD12 ILE A 51 -4.505 -10.536 1.157 1.00 0.00 H ATOM 823 HD13 ILE A 51 -2.840 -10.067 0.736 1.00 0.00 H ATOM 824 HG21 ILE A 51 -6.714 -13.165 0.091 1.00 0.00 H ATOM 825 HG22 ILE A 51 -5.517 -13.113 1.409 1.00 0.00 H ATOM 826 HG23 ILE A 51 -6.111 -11.598 0.685 1.00 0.00 H ATOM 827 H ILE A 51 -3.197 -13.502 -2.648 1.00 0.00 H ATOM 828 N ILE A 52 -5.763 -16.045 -0.593 1.00 18.30 N ATOM 829 CA ILE A 52 -6.827 -16.970 -1.001 1.00 19.02 C ATOM 830 C ILE A 52 -8.141 -16.625 -0.301 1.00 17.87 C ATOM 831 O ILE A 52 -9.059 -16.108 -0.935 1.00 17.86 O ATOM 832 CB ILE A 52 -6.407 -18.471 -0.799 1.00 21.04 C ATOM 833 CG1 ILE A 52 -5.021 -18.737 -1.410 1.00 23.09 C ATOM 834 CG2 ILE A 52 -7.468 -19.419 -1.373 1.00 22.34 C ATOM 835 CD1 ILE A 52 -4.869 -18.275 -2.868 1.00 27.18 C ATOM 836 HA ILE A 52 -6.991 -16.847 -2.072 1.00 0.00 H ATOM 837 HB ILE A 52 -6.339 -18.666 0.271 1.00 0.00 H ATOM 838 HG12 ILE A 52 -4.277 -18.215 -0.808 1.00 0.00 H ATOM 839 HG13 ILE A 52 -4.831 -19.810 -1.371 1.00 0.00 H ATOM 840 HD11 ILE A 52 -5.596 -18.796 -3.491 1.00 0.00 H ATOM 841 HD12 ILE A 52 -5.042 -17.200 -2.927 1.00 0.00 H ATOM 842 HD13 ILE A 52 -3.862 -18.502 -3.217 1.00 0.00 H ATOM 843 HG21 ILE A 52 -8.418 -19.249 -0.866 1.00 0.00 H ATOM 844 HG22 ILE A 52 -7.585 -19.228 -2.440 1.00 0.00 H ATOM 845 HG23 ILE A 52 -7.152 -20.451 -1.220 1.00 0.00 H ATOM 846 H ILE A 52 -5.228 -16.228 0.280 1.00 0.00 H ATOM 847 N ALA A 53 -8.219 -16.896 0.999 1.00 17.13 N ATOM 848 CA ALA A 53 -9.355 -16.505 1.811 1.00 16.72 C ATOM 849 C ALA A 53 -9.427 -14.981 1.894 1.00 16.09 C ATOM 850 O ALA A 53 -8.399 -14.295 1.883 1.00 16.28 O ATOM 851 CB ALA A 53 -9.250 -17.109 3.209 1.00 17.19 C ATOM 852 HA ALA A 53 -10.267 -16.881 1.347 1.00 0.00 H ATOM 853 HB1 ALA A 53 -9.227 -18.196 3.133 1.00 0.00 H ATOM 854 HB2 ALA A 53 -8.336 -16.758 3.687 1.00 0.00 H ATOM 855 HB3 ALA A 53 -10.112 -16.803 3.801 1.00 0.00 H ATOM 856 H ALA A 53 -7.435 -17.408 1.451 1.00 0.00 H ATOM 857 N SER A 54 -10.656 -14.479 1.966 1.00 14.28 N ATOM 858 CA SER A 54 -10.929 -13.046 2.007 1.00 13.64 C ATOM 859 C SER A 54 -10.168 -12.314 3.099 1.00 15.05 C ATOM 860 O SER A 54 -10.223 -12.696 4.278 1.00 15.14 O ATOM 861 CB SER A 54 -12.424 -12.825 2.201 1.00 13.93 C ATOM 862 OG SER A 54 -12.727 -11.447 2.280 1.00 20.61 O ATOM 863 HA SER A 54 -10.589 -12.634 1.057 1.00 0.00 H ATOM 864 HB2 SER A 54 -12.740 -13.313 3.123 1.00 0.00 H ATOM 865 HB3 SER A 54 -12.961 -13.260 1.358 1.00 0.00 H ATOM 866 HG SER A 54 -12.446 -11.000 1.443 1.00 0.00 H ATOM 867 H SER A 54 -11.460 -15.138 1.994 1.00 0.00 H ATOM 868 N LYS A 55 -9.492 -11.231 2.714 1.00 13.17 N ATOM 869 CA LYS A 55 -8.752 -10.433 3.674 1.00 14.06 C ATOM 870 C LYS A 55 -8.647 -9.011 3.131 1.00 14.84 C ATOM 871 O LYS A 55 -8.311 -8.830 1.960 1.00 15.01 O ATOM 872 CB LYS A 55 -7.341 -11.009 3.836 1.00 14.76 C ATOM 873 CG LYS A 55 -6.538 -10.355 4.930 1.00 20.61 C ATOM 874 CD LYS A 55 -5.257 -11.116 5.171 1.00 24.46 C ATOM 875 CE LYS A 55 -4.102 -10.581 4.351 1.00 27.12 C ATOM 876 NZ LYS A 55 -2.875 -11.397 4.565 1.00 27.22 N ATOM 877 HA LYS A 55 -9.259 -10.440 4.639 1.00 0.00 H ATOM 878 HB2 LYS A 55 -7.427 -12.072 4.062 1.00 0.00 H ATOM 879 HB3 LYS A 55 -6.807 -10.881 2.894 1.00 0.00 H ATOM 880 HG2 LYS A 55 -6.299 -9.332 4.638 1.00 0.00 H ATOM 881 HG3 LYS A 55 -7.126 -10.341 5.848 1.00 0.00 H ATOM 882 HD2 LYS A 55 -5.000 -11.042 6.228 1.00 0.00 H ATOM 883 HD3 LYS A 55 -5.417 -12.162 4.909 1.00 0.00 H ATOM 884 HE2 LYS A 55 -3.902 -9.551 4.646 1.00 0.00 H ATOM 885 HE3 LYS A 55 -4.370 -10.610 3.295 1.00 0.00 H ATOM 886 HZ1 LYS A 55 -2.613 -11.369 5.571 1.00 0.00 H ATOM 887 HZ2 LYS A 55 -3.060 -12.380 4.281 1.00 0.00 H ATOM 888 HZ3 LYS A 55 -2.098 -11.010 3.992 1.00 0.00 H ATOM 889 H LYS A 55 -9.495 -10.954 1.711 1.00 0.00 H ATOM 890 N ASN A 56 -8.900 -8.023 3.987 1.00 14.72 N ATOM 891 CA ASN A 56 -8.648 -6.626 3.600 1.00 12.97 C ATOM 892 C ASN A 56 -7.159 -6.316 3.595 1.00 12.59 C ATOM 893 O ASN A 56 -6.443 -6.680 4.526 1.00 15.34 O ATOM 894 CB ASN A 56 -9.429 -5.664 4.499 1.00 13.72 C ATOM 895 CG ASN A 56 -10.932 -5.756 4.277 1.00 16.76 C ATOM 896 OD1 ASN A 56 -11.401 -6.380 3.310 1.00 19.97 O ATOM 897 ND2 ASN A 56 -11.697 -5.129 5.166 1.00 22.39 N ATOM 898 HA ASN A 56 -9.006 -6.485 2.580 1.00 0.00 H ATOM 899 HB2 ASN A 56 -9.213 -5.904 5.540 1.00 0.00 H ATOM 900 HB3 ASN A 56 -9.105 -4.645 4.287 1.00 0.00 H ATOM 901 HD22 ASN A 56 -11.260 -4.619 5.960 1.00 0.00 H ATOM 902 HD21 ASN A 56 -12.732 -5.149 5.067 1.00 0.00 H ATOM 903 H ASN A 56 -9.277 -8.239 4.932 1.00 0.00 H ATOM 904 N VAL A 57 -6.681 -5.684 2.518 1.00 11.69 N ATOM 905 CA VAL A 57 -5.271 -5.359 2.369 1.00 12.20 C ATOM 906 C VAL A 57 -5.122 -3.882 2.018 1.00 12.33 C ATOM 907 O VAL A 57 -5.762 -3.404 1.090 1.00 11.88 O ATOM 908 CB VAL A 57 -4.611 -6.200 1.257 1.00 12.16 C ATOM 909 CG1 VAL A 57 -3.172 -5.806 1.059 1.00 13.63 C ATOM 910 CG2 VAL A 57 -4.693 -7.680 1.617 1.00 16.58 C ATOM 911 HA VAL A 57 -4.776 -5.581 3.315 1.00 0.00 H ATOM 912 HB VAL A 57 -5.146 -6.016 0.326 1.00 0.00 H ATOM 913 HG11 VAL A 57 -3.120 -4.754 0.778 1.00 0.00 H ATOM 914 HG12 VAL A 57 -2.623 -5.963 1.987 1.00 0.00 H ATOM 915 HG13 VAL A 57 -2.735 -6.417 0.269 1.00 0.00 H ATOM 916 HG21 VAL A 57 -4.173 -7.853 2.559 1.00 0.00 H ATOM 917 HG22 VAL A 57 -5.739 -7.970 1.719 1.00 0.00 H ATOM 918 HG23 VAL A 57 -4.226 -8.271 0.829 1.00 0.00 H ATOM 919 H VAL A 57 -7.341 -5.415 1.760 1.00 0.00 H ATOM 920 N LEU A 58 -4.264 -3.183 2.758 1.00 12.14 N ATOM 921 CA LEU A 58 -3.898 -1.798 2.417 1.00 10.96 C ATOM 922 C LEU A 58 -2.679 -1.805 1.504 1.00 12.56 C ATOM 923 O LEU A 58 -1.688 -2.479 1.798 1.00 12.67 O ATOM 924 CB LEU A 58 -3.592 -1.021 3.709 1.00 11.97 C ATOM 925 CG LEU A 58 -3.235 0.454 3.497 1.00 13.50 C ATOM 926 CD1 LEU A 58 -4.449 1.252 3.067 1.00 9.92 C ATOM 927 CD2 LEU A 58 -2.615 1.027 4.756 1.00 16.83 C ATOM 928 HA LEU A 58 -4.725 -1.313 1.897 1.00 0.00 H ATOM 929 HB2 LEU A 58 -4.471 -1.069 4.351 1.00 0.00 H ATOM 930 HB3 LEU A 58 -2.753 -1.506 4.207 1.00 0.00 H ATOM 931 HG LEU A 58 -2.502 0.522 2.693 1.00 0.00 H ATOM 932 HD21 LEU A 58 -3.325 0.945 5.579 1.00 0.00 H ATOM 933 HD22 LEU A 58 -1.710 0.471 4.999 1.00 0.00 H ATOM 934 HD23 LEU A 58 -2.366 2.075 4.592 1.00 0.00 H ATOM 935 HD11 LEU A 58 -4.835 0.848 2.131 1.00 0.00 H ATOM 936 HD12 LEU A 58 -5.217 1.186 3.837 1.00 0.00 H ATOM 937 HD13 LEU A 58 -4.165 2.295 2.924 1.00 0.00 H ATOM 938 H LEU A 58 -3.841 -3.626 3.598 1.00 0.00 H ATOM 939 N THR A 59 -2.724 -1.056 0.405 1.00 11.09 N ATOM 940 CA THR A 59 -1.591 -1.075 -0.524 1.00 10.82 C ATOM 941 C THR A 59 -0.311 -0.614 0.167 1.00 13.14 C ATOM 942 O THR A 59 -0.343 0.156 1.130 1.00 13.34 O ATOM 943 CB THR A 59 -1.826 -0.184 -1.745 1.00 10.67 C ATOM 944 OG1 THR A 59 -2.138 1.148 -1.298 1.00 11.64 O ATOM 945 CG2 THR A 59 -2.952 -0.746 -2.593 1.00 9.56 C ATOM 946 HA THR A 59 -1.490 -2.108 -0.856 1.00 0.00 H ATOM 947 HB THR A 59 -0.926 -0.153 -2.360 1.00 0.00 H ATOM 948 HG1 THR A 59 -1.382 1.502 -0.766 1.00 0.00 H ATOM 949 HG23 THR A 59 -2.692 -1.753 -2.918 1.00 0.00 H ATOM 950 HG21 THR A 59 -3.868 -0.778 -2.003 1.00 0.00 H ATOM 951 HG22 THR A 59 -3.102 -0.109 -3.464 1.00 0.00 H ATOM 952 H THR A 59 -3.555 -0.463 0.207 1.00 0.00 H ATOM 953 N THR A 60 0.819 -1.084 -0.341 1.00 13.55 N ATOM 954 CA THR A 60 2.090 -0.754 0.283 1.00 15.23 C ATOM 955 C THR A 60 2.612 0.623 -0.142 1.00 15.72 C ATOM 956 O THR A 60 3.503 1.183 0.501 1.00 16.77 O ATOM 957 CB THR A 60 3.145 -1.854 -0.007 1.00 15.16 C ATOM 958 OG1 THR A 60 3.131 -2.190 -1.402 1.00 19.09 O ATOM 959 CG2 THR A 60 2.840 -3.110 0.797 1.00 20.40 C ATOM 960 HA THR A 60 1.914 -0.709 1.358 1.00 0.00 H ATOM 961 HB THR A 60 4.125 -1.469 0.276 1.00 0.00 H ATOM 962 HG1 THR A 60 2.233 -2.525 -1.651 1.00 0.00 H ATOM 963 HG23 THR A 60 2.847 -2.870 1.860 1.00 0.00 H ATOM 964 HG21 THR A 60 1.858 -3.490 0.516 1.00 0.00 H ATOM 965 HG22 THR A 60 3.597 -3.866 0.589 1.00 0.00 H ATOM 966 H THR A 60 0.797 -1.689 -1.186 1.00 0.00 H ATOM 967 N SER A 61 2.083 1.141 -1.245 1.00 15.41 N ATOM 968 CA SER A 61 2.430 2.476 -1.725 1.00 12.56 C ATOM 969 C SER A 61 1.221 3.115 -2.398 1.00 11.91 C ATOM 970 O SER A 61 0.124 2.555 -2.413 1.00 11.76 O ATOM 971 CB SER A 61 3.622 2.455 -2.688 1.00 11.66 C ATOM 972 OG SER A 61 3.346 1.630 -3.793 1.00 16.39 O ATOM 973 HA SER A 61 2.725 3.070 -0.860 1.00 0.00 H ATOM 974 HB2 SER A 61 4.499 2.074 -2.165 1.00 0.00 H ATOM 975 HB3 SER A 61 3.820 3.469 -3.037 1.00 0.00 H ATOM 976 HG SER A 61 4.125 1.628 -4.404 1.00 0.00 H ATOM 977 H SER A 61 1.398 0.576 -1.786 1.00 0.00 H ATOM 978 N GLU A 62 1.434 4.307 -2.919 1.00 10.01 N ATOM 979 CA GLU A 62 0.334 5.169 -3.336 1.00 9.40 C ATOM 980 C GLU A 62 -0.020 4.944 -4.792 1.00 9.81 C ATOM 981 O GLU A 62 0.838 4.584 -5.605 1.00 9.81 O ATOM 982 CB GLU A 62 0.708 6.642 -3.133 1.00 10.35 C ATOM 983 CG GLU A 62 1.070 7.026 -1.696 1.00 14.20 C ATOM 984 CD GLU A 62 2.463 6.576 -1.270 1.00 20.33 C ATOM 985 OE1 GLU A 62 3.352 6.273 -2.125 1.00 12.61 O ATOM 986 OE2 GLU A 62 2.656 6.508 -0.036 1.00 24.85 O ATOM 987 HA GLU A 62 -0.531 4.919 -2.722 1.00 0.00 H ATOM 988 HB2 GLU A 62 1.565 6.864 -3.769 1.00 0.00 H ATOM 989 HB3 GLU A 62 -0.140 7.252 -3.443 1.00 0.00 H ATOM 990 HG2 GLU A 62 1.017 8.111 -1.606 1.00 0.00 H ATOM 991 HG3 GLU A 62 0.342 6.571 -1.025 1.00 0.00 H ATOM 992 H GLU A 62 2.412 4.641 -3.036 1.00 0.00 H ATOM 993 N PHE A 63 -1.290 5.168 -5.095 1.00 8.63 N ATOM 994 CA PHE A 63 -1.813 5.192 -6.474 1.00 9.08 C ATOM 995 C PHE A 63 -2.574 6.501 -6.720 1.00 9.48 C ATOM 996 O PHE A 63 -2.973 7.205 -5.782 1.00 10.11 O ATOM 997 CB PHE A 63 -2.792 4.021 -6.724 1.00 9.05 C ATOM 998 CG PHE A 63 -2.144 2.658 -6.804 1.00 9.51 C ATOM 999 CD1 PHE A 63 -1.594 2.052 -5.669 1.00 10.57 C ATOM 1000 CD2 PHE A 63 -2.113 1.974 -8.016 1.00 10.17 C ATOM 1001 CE1 PHE A 63 -1.012 0.782 -5.738 1.00 14.45 C ATOM 1002 CE2 PHE A 63 -1.523 0.715 -8.102 1.00 9.94 C ATOM 1003 CZ PHE A 63 -0.974 0.115 -6.958 1.00 12.12 C ATOM 1004 HA PHE A 63 -0.961 5.104 -7.148 1.00 0.00 H ATOM 1005 HB2 PHE A 63 -3.517 4.005 -5.910 1.00 0.00 H ATOM 1006 HB3 PHE A 63 -3.309 4.206 -7.665 1.00 0.00 H ATOM 1007 HD2 PHE A 63 -2.554 2.427 -8.904 1.00 0.00 H ATOM 1008 HE2 PHE A 63 -1.488 0.195 -9.059 1.00 0.00 H ATOM 1009 HZ PHE A 63 -0.518 -0.873 -7.026 1.00 0.00 H ATOM 1010 HE1 PHE A 63 -0.592 0.320 -4.845 1.00 0.00 H ATOM 1011 HD1 PHE A 63 -1.620 2.579 -4.715 1.00 0.00 H ATOM 1012 H PHE A 63 -1.957 5.337 -4.315 1.00 0.00 H ATOM 1013 N TYR A 64 -2.811 6.786 -8.001 1.00 9.48 N ATOM 1014 CA TYR A 64 -3.609 7.933 -8.434 1.00 9.49 C ATOM 1015 C TYR A 64 -5.073 7.553 -8.328 1.00 9.72 C ATOM 1016 O TYR A 64 -5.505 6.521 -8.873 1.00 10.69 O ATOM 1017 CB TYR A 64 -3.267 8.308 -9.866 1.00 9.58 C ATOM 1018 CG TYR A 64 -3.621 9.740 -10.223 1.00 13.96 C ATOM 1019 CD1 TYR A 64 -4.958 10.148 -10.317 1.00 13.82 C ATOM 1020 CD2 TYR A 64 -2.630 10.681 -10.469 1.00 9.95 C ATOM 1021 CE1 TYR A 64 -5.295 11.463 -10.649 1.00 13.58 C ATOM 1022 CE2 TYR A 64 -2.962 12.006 -10.817 1.00 9.99 C ATOM 1023 CZ TYR A 64 -4.295 12.383 -10.885 1.00 12.57 C ATOM 1024 OH TYR A 64 -4.628 13.676 -11.228 1.00 16.20 O ATOM 1025 HA TYR A 64 -3.396 8.796 -7.803 1.00 0.00 H ATOM 1026 HB3 TYR A 64 -3.811 7.642 -10.536 1.00 0.00 H ATOM 1027 HB2 TYR A 64 -2.195 8.172 -10.011 1.00 0.00 H ATOM 1028 HD2 TYR A 64 -1.582 10.391 -10.392 1.00 0.00 H ATOM 1029 HE2 TYR A 64 -2.176 12.730 -11.031 1.00 0.00 H ATOM 1030 HE1 TYR A 64 -6.341 11.760 -10.721 1.00 0.00 H ATOM 1031 HD1 TYR A 64 -5.751 9.425 -10.127 1.00 0.00 H ATOM 1032 HH TYR A 64 -5.613 13.773 -11.229 1.00 0.00 H ATOM 1033 H TYR A 64 -2.408 6.162 -8.729 1.00 0.00 H ATOM 1034 N LEU A 65 -5.824 8.396 -7.627 1.00 8.92 N ATOM 1035 CA LEU A 65 -7.245 8.132 -7.378 1.00 8.64 C ATOM 1036 C LEU A 65 -8.118 9.247 -7.908 1.00 9.16 C ATOM 1037 O LEU A 65 -7.798 10.430 -7.746 1.00 10.18 O ATOM 1038 CB LEU A 65 -7.474 8.000 -5.867 1.00 9.31 C ATOM 1039 CG LEU A 65 -6.678 6.881 -5.184 1.00 10.61 C ATOM 1040 CD1 LEU A 65 -6.913 6.949 -3.700 1.00 14.31 C ATOM 1041 CD2 LEU A 65 -7.037 5.485 -5.709 1.00 10.69 C ATOM 1042 HA LEU A 65 -7.514 7.210 -7.893 1.00 0.00 H ATOM 1043 HB2 LEU A 65 -7.198 8.945 -5.399 1.00 0.00 H ATOM 1044 HB3 LEU A 65 -8.534 7.810 -5.701 1.00 0.00 H ATOM 1045 HG LEU A 65 -5.624 7.038 -5.415 1.00 0.00 H ATOM 1046 HD21 LEU A 65 -8.096 5.294 -5.534 1.00 0.00 H ATOM 1047 HD22 LEU A 65 -6.829 5.436 -6.778 1.00 0.00 H ATOM 1048 HD23 LEU A 65 -6.440 4.737 -5.187 1.00 0.00 H ATOM 1049 HD11 LEU A 65 -6.583 7.918 -3.325 1.00 0.00 H ATOM 1050 HD12 LEU A 65 -7.976 6.822 -3.496 1.00 0.00 H ATOM 1051 HD13 LEU A 65 -6.350 6.156 -3.208 1.00 0.00 H ATOM 1052 H LEU A 65 -5.394 9.263 -7.246 1.00 0.00 H ATOM 1053 N SER A 66 -9.253 8.878 -8.516 1.00 8.41 N ATOM 1054 CA SER A 66 -10.234 9.852 -8.993 1.00 9.85 C ATOM 1055 C SER A 66 -11.573 9.534 -8.349 1.00 10.14 C ATOM 1056 O SER A 66 -12.158 8.478 -8.622 1.00 11.55 O ATOM 1057 CB SER A 66 -10.368 9.751 -10.515 1.00 10.17 C ATOM 1058 OG SER A 66 -9.138 10.158 -11.142 1.00 12.83 O ATOM 1059 HA SER A 66 -9.915 10.861 -8.732 1.00 0.00 H ATOM 1060 HB2 SER A 66 -11.177 10.399 -10.851 1.00 0.00 H ATOM 1061 HB3 SER A 66 -10.591 8.720 -10.791 1.00 0.00 H ATOM 1062 HG SER A 66 -9.232 10.090 -12.125 1.00 0.00 H ATOM 1063 H SER A 66 -9.443 7.865 -8.653 1.00 0.00 H ATOM 1064 N ASP A 67 -12.034 10.432 -7.487 1.00 10.53 N ATOM 1065 CA ASP A 67 -13.254 10.223 -6.720 1.00 11.13 C ATOM 1066 C ASP A 67 -14.389 11.015 -7.341 1.00 9.91 C ATOM 1067 O ASP A 67 -14.210 12.176 -7.692 1.00 10.57 O ATOM 1068 CB ASP A 67 -13.030 10.704 -5.296 1.00 12.66 C ATOM 1069 CG ASP A 67 -12.366 9.665 -4.449 1.00 19.40 C ATOM 1070 OD1 ASP A 67 -13.091 8.817 -3.909 1.00 21.84 O ATOM 1071 OD2 ASP A 67 -11.124 9.685 -4.344 1.00 26.35 O ATOM 1072 HA ASP A 67 -13.510 9.163 -6.721 1.00 0.00 H ATOM 1073 HB2 ASP A 67 -12.400 11.593 -5.320 1.00 0.00 H ATOM 1074 HB3 ASP A 67 -13.994 10.955 -4.854 1.00 0.00 H ATOM 1075 H ASP A 67 -11.504 11.317 -7.355 1.00 0.00 H ATOM 1076 N CYS A 68 -15.558 10.384 -7.472 1.00 8.90 N ATOM 1077 CA CYS A 68 -16.773 11.089 -7.838 1.00 8.52 C ATOM 1078 C CYS A 68 -17.621 11.235 -6.584 1.00 9.33 C ATOM 1079 O CYS A 68 -18.038 10.222 -6.021 1.00 9.77 O ATOM 1080 CB CYS A 68 -17.585 10.287 -8.842 1.00 7.87 C ATOM 1081 SG CYS A 68 -16.743 10.174 -10.456 1.00 11.88 S ATOM 1082 HA CYS A 68 -16.506 12.051 -8.275 1.00 0.00 H ATOM 1083 HB2 CYS A 68 -18.552 10.770 -8.981 1.00 0.00 H ATOM 1084 HB3 CYS A 68 -17.736 9.281 -8.451 1.00 0.00 H ATOM 1085 H CYS A 68 -15.599 9.358 -7.307 1.00 0.00 H ATOM 1086 N ASN A 69 -17.829 12.472 -6.155 1.00 10.08 N ATOM 1087 CA ASN A 69 -18.596 12.774 -4.942 1.00 13.26 C ATOM 1088 C ASN A 69 -19.870 13.543 -5.270 1.00 13.58 C ATOM 1089 O ASN A 69 -19.819 14.599 -5.899 1.00 12.98 O ATOM 1090 CB ASN A 69 -17.744 13.596 -3.986 1.00 14.23 C ATOM 1091 CG ASN A 69 -16.528 12.848 -3.499 1.00 20.91 C ATOM 1092 OD1 ASN A 69 -16.634 11.726 -3.003 1.00 26.04 O ATOM 1093 ND2 ASN A 69 -15.365 13.469 -3.626 1.00 24.27 N ATOM 1094 HA ASN A 69 -18.874 11.829 -4.476 1.00 0.00 H ATOM 1095 HB2 ASN A 69 -17.415 14.499 -4.500 1.00 0.00 H ATOM 1096 HB3 ASN A 69 -18.353 13.871 -3.125 1.00 0.00 H ATOM 1097 HD22 ASN A 69 -15.325 14.417 -4.052 1.00 0.00 H ATOM 1098 HD21 ASN A 69 -14.491 13.009 -3.300 1.00 0.00 H ATOM 1099 H ASN A 69 -17.431 13.262 -6.702 1.00 0.00 H ATOM 1100 N VAL A 70 -21.023 13.020 -4.865 1.00 13.73 N ATOM 1101 CA VAL A 70 -22.260 13.685 -5.267 1.00 13.03 C ATOM 1102 C VAL A 70 -22.463 15.045 -4.572 1.00 12.76 C ATOM 1103 O VAL A 70 -22.132 15.245 -3.401 1.00 14.18 O ATOM 1104 CB VAL A 70 -23.512 12.752 -5.196 1.00 12.10 C ATOM 1105 CG1 VAL A 70 -24.167 12.760 -3.800 1.00 14.31 C ATOM 1106 CG2 VAL A 70 -24.502 13.133 -6.273 1.00 12.08 C ATOM 1107 HA VAL A 70 -22.142 13.917 -6.325 1.00 0.00 H ATOM 1108 HB VAL A 70 -23.178 11.729 -5.372 1.00 0.00 H ATOM 1109 HG11 VAL A 70 -23.445 12.416 -3.059 1.00 0.00 H ATOM 1110 HG12 VAL A 70 -24.485 13.773 -3.555 1.00 0.00 H ATOM 1111 HG13 VAL A 70 -25.032 12.097 -3.802 1.00 0.00 H ATOM 1112 HG21 VAL A 70 -24.815 14.167 -6.127 1.00 0.00 H ATOM 1113 HG22 VAL A 70 -24.031 13.029 -7.251 1.00 0.00 H ATOM 1114 HG23 VAL A 70 -25.371 12.477 -6.215 1.00 0.00 H ATOM 1115 H VAL A 70 -21.044 12.161 -4.278 1.00 0.00 H ATOM 1116 N THR A 71 -23.003 15.981 -5.319 1.00 11.76 N ATOM 1117 CA THR A 71 -23.407 17.267 -4.757 1.00 11.86 C ATOM 1118 C THR A 71 -24.828 17.114 -4.215 1.00 11.73 C ATOM 1119 O THR A 71 -25.410 16.029 -4.252 1.00 13.36 O ATOM 1120 CB THR A 71 -23.391 18.347 -5.857 1.00 11.05 C ATOM 1121 OG1 THR A 71 -24.447 18.104 -6.792 1.00 13.96 O ATOM 1122 CG2 THR A 71 -22.048 18.364 -6.615 1.00 12.03 C ATOM 1123 HA THR A 71 -22.722 17.566 -3.964 1.00 0.00 H ATOM 1124 HB THR A 71 -23.529 19.313 -5.372 1.00 0.00 H ATOM 1125 HG1 THR A 71 -24.322 17.213 -7.206 1.00 0.00 H ATOM 1126 HG23 THR A 71 -21.237 18.549 -5.911 1.00 0.00 H ATOM 1127 HG21 THR A 71 -21.895 17.401 -7.103 1.00 0.00 H ATOM 1128 HG22 THR A 71 -22.066 19.154 -7.366 1.00 0.00 H ATOM 1129 H THR A 71 -23.146 15.802 -6.333 1.00 0.00 H ATOM 1130 N SER A 72 -25.411 18.197 -3.717 1.00 13.04 N ATOM 1131 CA SER A 72 -26.804 18.131 -3.248 1.00 12.71 C ATOM 1132 C SER A 72 -27.839 18.129 -4.394 1.00 13.82 C ATOM 1133 O SER A 72 -29.033 17.988 -4.140 1.00 14.10 O ATOM 1134 CB SER A 72 -27.073 19.240 -2.205 1.00 13.68 C ATOM 1135 OG SER A 72 -26.638 20.458 -2.693 1.00 15.97 O ATOM 1136 HA SER A 72 -26.934 17.166 -2.758 1.00 0.00 H ATOM 1137 HB2 SER A 72 -26.539 19.008 -1.284 1.00 0.00 H ATOM 1138 HB3 SER A 72 -28.142 19.293 -2.000 1.00 0.00 H ATOM 1139 HG SER A 72 -27.124 20.670 -3.529 1.00 0.00 H ATOM 1140 H SER A 72 -24.884 19.092 -3.658 1.00 0.00 H ATOM 1141 N ARG A 73 -27.386 18.265 -5.645 1.00 12.73 N ATOM 1142 CA ARG A 73 -28.250 18.044 -6.803 1.00 13.55 C ATOM 1143 C ARG A 73 -28.261 16.567 -7.189 1.00 13.40 C ATOM 1144 O ARG A 73 -27.198 16.000 -7.426 1.00 14.11 O ATOM 1145 CB ARG A 73 -27.777 18.844 -8.003 1.00 14.14 C ATOM 1146 CG ARG A 73 -28.636 18.572 -9.214 1.00 15.15 C ATOM 1147 CD ARG A 73 -28.323 19.520 -10.344 1.00 21.50 C ATOM 1148 NE ARG A 73 -29.048 19.112 -11.535 1.00 19.07 N ATOM 1149 CZ ARG A 73 -28.964 19.732 -12.710 1.00 27.34 C ATOM 1150 NH1 ARG A 73 -28.175 20.794 -12.847 1.00 27.67 N ATOM 1151 NH2 ARG A 73 -29.663 19.289 -13.744 1.00 26.45 N ATOM 1152 HA ARG A 73 -29.252 18.368 -6.522 1.00 0.00 H ATOM 1153 HB2 ARG A 73 -27.825 19.906 -7.764 1.00 0.00 H ATOM 1154 HB3 ARG A 73 -26.746 18.570 -8.229 1.00 0.00 H ATOM 1155 HG2 ARG A 73 -28.459 17.550 -9.550 1.00 0.00 H ATOM 1156 HG3 ARG A 73 -29.684 18.686 -8.937 1.00 0.00 H ATOM 1157 HD2 ARG A 73 -27.252 19.503 -10.547 1.00 0.00 H ATOM 1158 HD3 ARG A 73 -28.622 20.530 -10.064 1.00 0.00 H ATOM 1159 HE ARG A 73 -29.672 18.283 -11.465 1.00 0.00 H ATOM 1160 HH12 ARG A 73 -28.110 21.278 -13.765 1.00 0.00 H ATOM 1161 HH11 ARG A 73 -27.624 21.140 -12.036 1.00 0.00 H ATOM 1162 HH22 ARG A 73 -29.597 19.773 -14.662 1.00 0.00 H ATOM 1163 HH21 ARG A 73 -30.278 18.457 -13.638 1.00 0.00 H ATOM 1164 H ARG A 73 -26.393 18.535 -5.798 1.00 0.00 H ATOM 1165 N PRO A 74 -29.455 15.942 -7.250 1.00 13.08 N ATOM 1166 CA PRO A 74 -29.530 14.508 -7.540 1.00 12.14 C ATOM 1167 C PRO A 74 -28.648 14.059 -8.707 1.00 11.08 C ATOM 1168 O PRO A 74 -28.800 14.543 -9.846 1.00 11.53 O ATOM 1169 CB PRO A 74 -31.008 14.314 -7.910 1.00 13.05 C ATOM 1170 CG PRO A 74 -31.710 15.337 -7.027 1.00 14.39 C ATOM 1171 CD PRO A 74 -30.798 16.524 -7.021 1.00 12.80 C ATOM 1172 HA PRO A 74 -29.178 13.920 -6.693 1.00 0.00 H ATOM 1173 HD3 PRO A 74 -31.061 17.220 -7.818 1.00 0.00 H ATOM 1174 HD2 PRO A 74 -30.839 17.040 -6.062 1.00 0.00 H ATOM 1175 HG3 PRO A 74 -31.841 14.948 -6.017 1.00 0.00 H ATOM 1176 HG2 PRO A 74 -32.682 15.601 -7.443 1.00 0.00 H ATOM 1177 HB2 PRO A 74 -31.180 14.522 -8.966 1.00 0.00 H ATOM 1178 HB3 PRO A 74 -31.341 13.302 -7.681 1.00 0.00 H ATOM 1179 N CYS A 75 -27.741 13.124 -8.419 1.00 10.65 N ATOM 1180 CA CYS A 75 -26.943 12.451 -9.455 1.00 9.84 C ATOM 1181 C CYS A 75 -26.033 13.372 -10.280 1.00 11.14 C ATOM 1182 O CYS A 75 -25.689 13.051 -11.402 1.00 10.33 O ATOM 1183 CB CYS A 75 -27.838 11.586 -10.363 1.00 11.64 C ATOM 1184 SG CYS A 75 -26.901 10.266 -11.216 1.00 11.17 S ATOM 1185 HA CYS A 75 -26.255 11.808 -8.907 1.00 0.00 H ATOM 1186 HB2 CYS A 75 -28.300 12.228 -11.113 1.00 0.00 H ATOM 1187 HB3 CYS A 75 -28.615 11.125 -9.753 1.00 0.00 H ATOM 1188 H CYS A 75 -27.593 12.861 -7.424 1.00 0.00 H ATOM 1189 N LYS A 76 -25.595 14.468 -9.660 1.00 10.79 N ATOM 1190 CA LYS A 76 -24.619 15.393 -10.238 1.00 10.86 C ATOM 1191 C LYS A 76 -23.451 15.492 -9.259 1.00 11.81 C ATOM 1192 O LYS A 76 -23.656 15.684 -8.054 1.00 12.27 O ATOM 1193 CB LYS A 76 -25.260 16.763 -10.486 1.00 12.93 C ATOM 1194 CG LYS A 76 -26.348 16.741 -11.562 1.00 14.55 C ATOM 1195 CD LYS A 76 -25.831 16.306 -12.942 1.00 19.25 C ATOM 1196 CE LYS A 76 -26.935 16.267 -14.000 1.00 24.93 C ATOM 1197 NZ LYS A 76 -27.960 15.239 -13.706 1.00 31.49 N ATOM 1198 HA LYS A 76 -24.265 15.032 -11.204 1.00 0.00 H ATOM 1199 HB2 LYS A 76 -25.704 17.111 -9.553 1.00 0.00 H ATOM 1200 HB3 LYS A 76 -24.480 17.458 -10.797 1.00 0.00 H ATOM 1201 HG2 LYS A 76 -27.129 16.047 -11.250 1.00 0.00 H ATOM 1202 HG3 LYS A 76 -26.768 17.743 -11.650 1.00 0.00 H ATOM 1203 HD2 LYS A 76 -25.063 17.009 -13.265 1.00 0.00 H ATOM 1204 HD3 LYS A 76 -25.396 15.310 -12.854 1.00 0.00 H ATOM 1205 HE2 LYS A 76 -26.485 16.047 -14.968 1.00 0.00 H ATOM 1206 HE3 LYS A 76 -27.418 17.243 -14.039 1.00 0.00 H ATOM 1207 HZ1 LYS A 76 -27.510 14.302 -13.675 1.00 0.00 H ATOM 1208 HZ2 LYS A 76 -28.401 15.444 -12.787 1.00 0.00 H ATOM 1209 HZ3 LYS A 76 -28.686 15.252 -14.451 1.00 0.00 H ATOM 1210 H LYS A 76 -25.968 14.678 -8.712 1.00 0.00 H ATOM 1211 N TYR A 77 -22.247 15.325 -9.800 1.00 11.04 N ATOM 1212 CA TYR A 77 -21.052 15.052 -9.020 1.00 11.11 C ATOM 1213 C TYR A 77 -19.958 16.112 -9.173 1.00 11.29 C ATOM 1214 O TYR A 77 -19.983 16.931 -10.120 1.00 12.52 O ATOM 1215 CB TYR A 77 -20.478 13.692 -9.474 1.00 8.62 C ATOM 1216 CG TYR A 77 -21.435 12.563 -9.193 1.00 9.63 C ATOM 1217 CD1 TYR A 77 -22.464 12.270 -10.091 1.00 12.92 C ATOM 1218 CD2 TYR A 77 -21.336 11.809 -8.029 1.00 11.33 C ATOM 1219 CE1 TYR A 77 -23.367 11.241 -9.840 1.00 9.98 C ATOM 1220 CE2 TYR A 77 -22.234 10.775 -7.771 1.00 11.81 C ATOM 1221 CZ TYR A 77 -23.249 10.509 -8.687 1.00 11.59 C ATOM 1222 OH TYR A 77 -24.171 9.515 -8.466 1.00 10.83 O ATOM 1223 HA TYR A 77 -21.349 15.052 -7.971 1.00 0.00 H ATOM 1224 HB3 TYR A 77 -19.545 13.506 -8.941 1.00 0.00 H ATOM 1225 HB2 TYR A 77 -20.282 13.731 -10.545 1.00 0.00 H ATOM 1226 HD2 TYR A 77 -20.547 12.029 -7.310 1.00 0.00 H ATOM 1227 HE2 TYR A 77 -22.143 10.181 -6.862 1.00 0.00 H ATOM 1228 HE1 TYR A 77 -24.161 11.019 -10.554 1.00 0.00 H ATOM 1229 HD1 TYR A 77 -22.561 12.857 -11.004 1.00 0.00 H ATOM 1230 HH TYR A 77 -23.704 8.646 -8.386 1.00 0.00 H ATOM 1231 H TYR A 77 -22.157 15.393 -10.834 1.00 0.00 H ATOM 1232 N LYS A 78 -18.995 16.062 -8.258 1.00 9.74 N ATOM 1233 CA LYS A 78 -17.705 16.749 -8.455 1.00 11.12 C ATOM 1234 C LYS A 78 -16.593 15.722 -8.441 1.00 11.62 C ATOM 1235 O LYS A 78 -16.625 14.770 -7.663 1.00 12.67 O ATOM 1236 CB LYS A 78 -17.425 17.797 -7.369 1.00 12.50 C ATOM 1237 CG LYS A 78 -18.304 19.073 -7.436 1.00 16.55 C ATOM 1238 CD LYS A 78 -18.139 19.812 -8.773 1.00 24.68 C ATOM 1239 CE LYS A 78 -19.255 20.838 -8.978 1.00 27.52 C ATOM 1240 NZ LYS A 78 -19.074 21.599 -10.242 1.00 30.43 N ATOM 1241 HA LYS A 78 -17.753 17.268 -9.412 1.00 0.00 H ATOM 1242 HB2 LYS A 78 -17.586 17.328 -6.398 1.00 0.00 H ATOM 1243 HB3 LYS A 78 -16.382 18.101 -7.456 1.00 0.00 H ATOM 1244 HG2 LYS A 78 -19.349 18.788 -7.317 1.00 0.00 H ATOM 1245 HG3 LYS A 78 -18.017 19.742 -6.625 1.00 0.00 H ATOM 1246 HD2 LYS A 78 -17.178 20.326 -8.780 1.00 0.00 H ATOM 1247 HD3 LYS A 78 -18.168 19.087 -9.586 1.00 0.00 H ATOM 1248 HE2 LYS A 78 -19.252 21.536 -8.141 1.00 0.00 H ATOM 1249 HE3 LYS A 78 -20.212 20.318 -9.012 1.00 0.00 H ATOM 1250 HZ1 LYS A 78 -18.165 22.103 -10.214 1.00 0.00 H ATOM 1251 HZ2 LYS A 78 -19.082 20.940 -11.046 1.00 0.00 H ATOM 1252 HZ3 LYS A 78 -19.849 22.285 -10.347 1.00 0.00 H ATOM 1253 H LYS A 78 -19.155 15.525 -7.382 1.00 0.00 H ATOM 1254 N LEU A 79 -15.617 15.925 -9.314 1.00 9.90 N ATOM 1255 CA LEU A 79 -14.477 15.045 -9.408 1.00 9.29 C ATOM 1256 C LEU A 79 -13.354 15.553 -8.506 1.00 9.96 C ATOM 1257 O LEU A 79 -13.046 16.752 -8.516 1.00 11.29 O ATOM 1258 CB LEU A 79 -13.986 15.049 -10.860 1.00 11.03 C ATOM 1259 CG LEU A 79 -12.639 14.385 -11.146 1.00 10.65 C ATOM 1260 CD1 LEU A 79 -12.749 12.888 -10.970 1.00 10.57 C ATOM 1261 CD2 LEU A 79 -12.246 14.732 -12.588 1.00 11.63 C ATOM 1262 HA LEU A 79 -14.760 14.039 -9.098 1.00 0.00 H ATOM 1263 HB2 LEU A 79 -14.738 14.538 -11.462 1.00 0.00 H ATOM 1264 HB3 LEU A 79 -13.913 16.089 -11.178 1.00 0.00 H ATOM 1265 HG LEU A 79 -11.879 14.745 -10.453 1.00 0.00 H ATOM 1266 HD21 LEU A 79 -13.008 14.356 -13.271 1.00 0.00 H ATOM 1267 HD22 LEU A 79 -12.166 15.814 -12.691 1.00 0.00 H ATOM 1268 HD23 LEU A 79 -11.286 14.271 -12.823 1.00 0.00 H ATOM 1269 HD11 LEU A 79 -13.048 12.665 -9.946 1.00 0.00 H ATOM 1270 HD12 LEU A 79 -13.495 12.496 -11.661 1.00 0.00 H ATOM 1271 HD13 LEU A 79 -11.783 12.427 -11.177 1.00 0.00 H ATOM 1272 H LEU A 79 -15.674 16.745 -9.952 1.00 0.00 H ATOM 1273 N LYS A 80 -12.728 14.637 -7.780 1.00 10.57 N ATOM 1274 CA LYS A 80 -11.547 14.964 -6.986 1.00 11.38 C ATOM 1275 C LYS A 80 -10.414 14.003 -7.323 1.00 11.98 C ATOM 1276 O LYS A 80 -10.584 12.787 -7.217 1.00 13.95 O ATOM 1277 CB LYS A 80 -11.867 14.880 -5.496 1.00 11.98 C ATOM 1278 CG LYS A 80 -10.806 15.514 -4.597 1.00 16.15 C ATOM 1279 CD LYS A 80 -11.093 15.276 -3.111 1.00 13.26 C ATOM 1280 CE LYS A 80 -12.431 15.839 -2.679 1.00 16.68 C ATOM 1281 NZ LYS A 80 -12.690 15.601 -1.227 1.00 13.40 N ATOM 1282 HA LYS A 80 -11.239 15.983 -7.223 1.00 0.00 H ATOM 1283 HB2 LYS A 80 -12.815 15.388 -5.319 1.00 0.00 H ATOM 1284 HB3 LYS A 80 -11.964 13.829 -5.224 1.00 0.00 H ATOM 1285 HG2 LYS A 80 -9.835 15.083 -4.841 1.00 0.00 H ATOM 1286 HG3 LYS A 80 -10.783 16.588 -4.783 1.00 0.00 H ATOM 1287 HD2 LYS A 80 -11.088 14.203 -2.922 1.00 0.00 H ATOM 1288 HD3 LYS A 80 -10.308 15.751 -2.523 1.00 0.00 H ATOM 1289 HE2 LYS A 80 -13.219 15.362 -3.261 1.00 0.00 H ATOM 1290 HE3 LYS A 80 -12.440 16.912 -2.868 1.00 0.00 H ATOM 1291 HZ1 LYS A 80 -12.689 14.578 -1.039 1.00 0.00 H ATOM 1292 HZ2 LYS A 80 -11.945 16.059 -0.664 1.00 0.00 H ATOM 1293 HZ3 LYS A 80 -13.615 16.001 -0.971 1.00 0.00 H ATOM 1294 H LYS A 80 -13.087 13.661 -7.776 1.00 0.00 H ATOM 1295 N LYS A 81 -9.264 14.563 -7.695 1.00 10.86 N ATOM 1296 CA LYS A 81 -8.089 13.762 -8.055 1.00 10.56 C ATOM 1297 C LYS A 81 -7.057 13.858 -6.954 1.00 11.63 C ATOM 1298 O LYS A 81 -6.784 14.952 -6.449 1.00 11.87 O ATOM 1299 CB LYS A 81 -7.492 14.278 -9.372 1.00 10.41 C ATOM 1300 CG LYS A 81 -8.416 14.032 -10.566 1.00 10.54 C ATOM 1301 CD LYS A 81 -7.879 14.611 -11.889 1.00 12.19 C ATOM 1302 CE LYS A 81 -8.080 16.090 -11.989 1.00 14.79 C ATOM 1303 NZ LYS A 81 -7.621 16.559 -13.335 1.00 15.10 N ATOM 1304 HA LYS A 81 -8.387 12.721 -8.182 1.00 0.00 H ATOM 1305 HB2 LYS A 81 -7.315 15.350 -9.281 1.00 0.00 H ATOM 1306 HB3 LYS A 81 -6.545 13.769 -9.551 1.00 0.00 H ATOM 1307 HG2 LYS A 81 -8.545 12.956 -10.687 1.00 0.00 H ATOM 1308 HG3 LYS A 81 -9.382 14.491 -10.355 1.00 0.00 H ATOM 1309 HD2 LYS A 81 -6.812 14.397 -11.957 1.00 0.00 H ATOM 1310 HD3 LYS A 81 -8.398 14.130 -12.718 1.00 0.00 H ATOM 1311 HE2 LYS A 81 -7.502 16.590 -11.212 1.00 0.00 H ATOM 1312 HE3 LYS A 81 -9.137 16.324 -11.862 1.00 0.00 H ATOM 1313 HZ1 LYS A 81 -6.613 16.334 -13.454 1.00 0.00 H ATOM 1314 HZ2 LYS A 81 -8.174 16.080 -14.075 1.00 0.00 H ATOM 1315 HZ3 LYS A 81 -7.759 17.587 -13.408 1.00 0.00 H ATOM 1316 H LYS A 81 -9.197 15.600 -7.731 1.00 0.00 H ATOM 1317 N SER A 82 -6.471 12.729 -6.583 1.00 10.85 N ATOM 1318 CA SER A 82 -5.481 12.721 -5.500 1.00 11.51 C ATOM 1319 C SER A 82 -4.584 11.521 -5.677 1.00 12.20 C ATOM 1320 O SER A 82 -4.783 10.731 -6.609 1.00 13.87 O ATOM 1321 CB SER A 82 -6.177 12.625 -4.145 1.00 13.23 C ATOM 1322 OG SER A 82 -6.848 11.368 -4.017 1.00 14.31 O ATOM 1323 HA SER A 82 -4.901 13.643 -5.535 1.00 0.00 H ATOM 1324 HB2 SER A 82 -6.905 13.432 -4.057 1.00 0.00 H ATOM 1325 HB3 SER A 82 -5.435 12.719 -3.352 1.00 0.00 H ATOM 1326 HG SER A 82 -7.525 11.282 -4.735 1.00 0.00 H ATOM 1327 H SER A 82 -6.715 11.840 -7.064 1.00 0.00 H ATOM 1328 N THR A 83 -3.575 11.400 -4.816 1.00 11.10 N ATOM 1329 CA THR A 83 -2.848 10.133 -4.668 1.00 10.18 C ATOM 1330 C THR A 83 -2.935 9.688 -3.216 1.00 9.80 C ATOM 1331 O THR A 83 -2.958 10.511 -2.305 1.00 10.28 O ATOM 1332 CB THR A 83 -1.364 10.203 -5.088 1.00 10.77 C ATOM 1333 OG1 THR A 83 -0.694 11.242 -4.357 1.00 12.60 O ATOM 1334 CG2 THR A 83 -1.262 10.495 -6.587 1.00 11.47 C ATOM 1335 HA THR A 83 -3.322 9.419 -5.342 1.00 0.00 H ATOM 1336 HB THR A 83 -0.892 9.245 -4.869 1.00 0.00 H ATOM 1337 HG1 THR A 83 0.256 11.279 -4.633 1.00 0.00 H ATOM 1338 HG23 THR A 83 -1.770 9.708 -7.145 1.00 0.00 H ATOM 1339 HG21 THR A 83 -1.732 11.455 -6.802 1.00 0.00 H ATOM 1340 HG22 THR A 83 -0.212 10.529 -6.879 1.00 0.00 H ATOM 1341 H THR A 83 -3.297 12.218 -4.238 1.00 0.00 H ATOM 1342 N ASN A 84 -2.983 8.374 -3.005 1.00 11.24 N ATOM 1343 CA ASN A 84 -3.034 7.810 -1.657 1.00 10.51 C ATOM 1344 C ASN A 84 -2.873 6.292 -1.746 1.00 10.19 C ATOM 1345 O ASN A 84 -3.019 5.695 -2.803 1.00 8.98 O ATOM 1346 CB ASN A 84 -4.376 8.145 -0.994 1.00 8.82 C ATOM 1347 CG ASN A 84 -4.285 8.281 0.526 1.00 17.48 C ATOM 1348 OD1 ASN A 84 -3.482 7.611 1.182 1.00 19.39 O ATOM 1349 ND2 ASN A 84 -5.128 9.152 1.093 1.00 18.13 N ATOM 1350 HA ASN A 84 -2.230 8.235 -1.057 1.00 0.00 H ATOM 1351 HB2 ASN A 84 -4.739 9.087 -1.404 1.00 0.00 H ATOM 1352 HB3 ASN A 84 -5.085 7.351 -1.228 1.00 0.00 H ATOM 1353 HD22 ASN A 84 -5.789 9.696 0.502 1.00 0.00 H ATOM 1354 HD21 ASN A 84 -5.123 9.285 2.124 1.00 0.00 H ATOM 1355 H ASN A 84 -2.984 7.731 -3.822 1.00 0.00 H ATOM 1356 N LYS A 85 -2.584 5.681 -0.607 1.00 10.25 N ATOM 1357 CA LYS A 85 -2.784 4.253 -0.463 1.00 9.72 C ATOM 1358 C LYS A 85 -4.273 3.957 -0.409 1.00 10.44 C ATOM 1359 O LYS A 85 -5.091 4.826 -0.096 1.00 9.76 O ATOM 1360 CB LYS A 85 -2.163 3.776 0.839 1.00 10.59 C ATOM 1361 CG LYS A 85 -0.662 3.918 0.868 1.00 12.45 C ATOM 1362 CD LYS A 85 -0.134 3.463 2.224 1.00 18.58 C ATOM 1363 CE LYS A 85 1.371 3.600 2.283 1.00 22.30 C ATOM 1364 NZ LYS A 85 1.865 3.243 3.646 1.00 30.20 N ATOM 1365 HA LYS A 85 -2.322 3.745 -1.309 1.00 0.00 H ATOM 1366 HB2 LYS A 85 -2.583 4.360 1.658 1.00 0.00 H ATOM 1367 HB3 LYS A 85 -2.415 2.725 0.979 1.00 0.00 H ATOM 1368 HG2 LYS A 85 -0.223 3.303 0.082 1.00 0.00 H ATOM 1369 HG3 LYS A 85 -0.392 4.961 0.704 1.00 0.00 H ATOM 1370 HD2 LYS A 85 -0.581 4.076 3.007 1.00 0.00 H ATOM 1371 HD3 LYS A 85 -0.405 2.419 2.382 1.00 0.00 H ATOM 1372 HE2 LYS A 85 1.649 4.629 2.056 1.00 0.00 H ATOM 1373 HE3 LYS A 85 1.823 2.933 1.549 1.00 0.00 H ATOM 1374 HZ1 LYS A 85 1.436 3.880 4.347 1.00 0.00 H ATOM 1375 HZ2 LYS A 85 1.602 2.260 3.862 1.00 0.00 H ATOM 1376 HZ3 LYS A 85 2.900 3.341 3.675 1.00 0.00 H ATOM 1377 H LYS A 85 -2.210 6.232 0.192 1.00 0.00 H ATOM 1378 N PHE A 86 -4.639 2.726 -0.727 1.00 9.84 N ATOM 1379 CA PHE A 86 -6.039 2.360 -0.580 1.00 10.12 C ATOM 1380 C PHE A 86 -6.170 0.914 -0.156 1.00 11.39 C ATOM 1381 O PHE A 86 -5.200 0.150 -0.206 1.00 11.07 O ATOM 1382 CB PHE A 86 -6.827 2.671 -1.858 1.00 10.27 C ATOM 1383 CG PHE A 86 -6.407 1.862 -3.058 1.00 12.16 C ATOM 1384 CD1 PHE A 86 -6.906 0.581 -3.260 1.00 9.24 C ATOM 1385 CD2 PHE A 86 -5.498 2.385 -3.989 1.00 11.00 C ATOM 1386 CE1 PHE A 86 -6.523 -0.164 -4.390 1.00 11.99 C ATOM 1387 CE2 PHE A 86 -5.085 1.651 -5.091 1.00 12.08 C ATOM 1388 CZ PHE A 86 -5.597 0.375 -5.310 1.00 11.25 C ATOM 1389 HA PHE A 86 -6.477 2.967 0.212 1.00 0.00 H ATOM 1390 HB2 PHE A 86 -7.882 2.474 -1.665 1.00 0.00 H ATOM 1391 HB3 PHE A 86 -6.693 3.727 -2.094 1.00 0.00 H ATOM 1392 HD2 PHE A 86 -5.107 3.392 -3.843 1.00 0.00 H ATOM 1393 HE2 PHE A 86 -4.359 2.073 -5.786 1.00 0.00 H ATOM 1394 HZ PHE A 86 -5.287 -0.201 -6.182 1.00 0.00 H ATOM 1395 HE1 PHE A 86 -6.941 -1.157 -4.556 1.00 0.00 H ATOM 1396 HD1 PHE A 86 -7.599 0.150 -2.538 1.00 0.00 H ATOM 1397 H PHE A 86 -3.942 2.036 -1.074 1.00 0.00 H ATOM 1398 N CYS A 87 -7.367 0.568 0.295 1.00 11.08 N ATOM 1399 CA CYS A 87 -7.615 -0.745 0.891 1.00 10.27 C ATOM 1400 C CYS A 87 -8.622 -1.467 0.038 1.00 9.74 C ATOM 1401 O CYS A 87 -9.625 -0.870 -0.386 1.00 10.50 O ATOM 1402 CB CYS A 87 -8.145 -0.576 2.320 1.00 9.65 C ATOM 1403 SG CYS A 87 -8.484 -2.197 3.115 1.00 14.91 S ATOM 1404 HA CYS A 87 -6.691 -1.322 0.937 1.00 0.00 H ATOM 1405 HB2 CYS A 87 -9.068 0.002 2.289 1.00 0.00 H ATOM 1406 HB3 CYS A 87 -7.402 -0.041 2.912 1.00 0.00 H ATOM 1407 H CYS A 87 -8.151 1.248 0.223 1.00 0.00 H ATOM 1408 N VAL A 88 -8.355 -2.746 -0.242 1.00 9.55 N ATOM 1409 CA VAL A 88 -9.303 -3.563 -0.991 1.00 10.02 C ATOM 1410 C VAL A 88 -9.526 -4.870 -0.239 1.00 10.29 C ATOM 1411 O VAL A 88 -8.703 -5.240 0.603 1.00 11.29 O ATOM 1412 CB VAL A 88 -8.793 -3.936 -2.407 1.00 11.14 C ATOM 1413 CG1 VAL A 88 -8.718 -2.716 -3.306 1.00 12.32 C ATOM 1414 CG2 VAL A 88 -7.426 -4.630 -2.314 1.00 12.40 C ATOM 1415 HA VAL A 88 -10.215 -2.974 -1.094 1.00 0.00 H ATOM 1416 HB VAL A 88 -9.507 -4.629 -2.853 1.00 0.00 H ATOM 1417 HG11 VAL A 88 -9.710 -2.274 -3.400 1.00 0.00 H ATOM 1418 HG12 VAL A 88 -8.034 -1.987 -2.871 1.00 0.00 H ATOM 1419 HG13 VAL A 88 -8.357 -3.013 -4.291 1.00 0.00 H ATOM 1420 HG21 VAL A 88 -6.710 -3.957 -1.842 1.00 0.00 H ATOM 1421 HG22 VAL A 88 -7.521 -5.538 -1.718 1.00 0.00 H ATOM 1422 HG23 VAL A 88 -7.081 -4.886 -3.316 1.00 0.00 H ATOM 1423 H VAL A 88 -7.459 -3.165 0.079 1.00 0.00 H ATOM 1424 N ASN A 89 -10.643 -5.533 -0.531 1.00 10.32 N ATOM 1425 CA ASN A 89 -10.870 -6.899 -0.099 1.00 11.76 C ATOM 1426 C ASN A 89 -10.216 -7.824 -1.126 1.00 12.03 C ATOM 1427 O ASN A 89 -10.600 -7.793 -2.312 1.00 11.29 O ATOM 1428 CB ASN A 89 -12.382 -7.141 -0.020 1.00 12.32 C ATOM 1429 CG ASN A 89 -12.759 -8.597 0.204 1.00 12.48 C ATOM 1430 OD1 ASN A 89 -11.916 -9.491 0.290 1.00 10.81 O ATOM 1431 ND2 ASN A 89 -14.059 -8.836 0.298 1.00 14.65 N ATOM 1432 HA ASN A 89 -10.440 -7.091 0.884 1.00 0.00 H ATOM 1433 HB2 ASN A 89 -12.782 -6.551 0.805 1.00 0.00 H ATOM 1434 HB3 ASN A 89 -12.833 -6.809 -0.955 1.00 0.00 H ATOM 1435 HD22 ASN A 89 -14.739 -8.053 0.220 1.00 0.00 H ATOM 1436 HD21 ASN A 89 -14.400 -9.807 0.450 1.00 0.00 H ATOM 1437 H ASN A 89 -11.379 -5.055 -1.089 1.00 0.00 H ATOM 1438 N CYS A 90 -9.239 -8.618 -0.686 1.00 11.59 N ATOM 1439 CA CYS A 90 -8.581 -9.598 -1.547 1.00 11.98 C ATOM 1440 C CYS A 90 -9.213 -10.953 -1.345 1.00 12.85 C ATOM 1441 O CYS A 90 -9.401 -11.380 -0.212 1.00 13.38 O ATOM 1442 CB CYS A 90 -7.106 -9.715 -1.191 1.00 12.49 C ATOM 1443 SG CYS A 90 -6.121 -8.279 -1.590 1.00 12.80 S ATOM 1444 HA CYS A 90 -8.689 -9.269 -2.581 1.00 0.00 H ATOM 1445 HB2 CYS A 90 -6.694 -10.569 -1.729 1.00 0.00 H ATOM 1446 HB3 CYS A 90 -7.029 -9.892 -0.118 1.00 0.00 H ATOM 1447 H CYS A 90 -8.935 -8.537 0.305 1.00 0.00 H ATOM 1448 N ALA A 91 -9.531 -11.625 -2.447 1.00 11.97 N ATOM 1449 CA ALA A 91 -10.057 -13.009 -2.375 1.00 13.58 C ATOM 1450 C ALA A 91 -9.630 -13.739 -3.639 1.00 14.34 C ATOM 1451 O ALA A 91 -9.688 -13.169 -4.727 1.00 14.47 O ATOM 1452 CB ALA A 91 -11.577 -13.002 -2.227 1.00 13.33 C ATOM 1453 HA ALA A 91 -9.655 -13.521 -1.501 1.00 0.00 H ATOM 1454 HB1 ALA A 91 -11.849 -12.473 -1.314 1.00 0.00 H ATOM 1455 HB2 ALA A 91 -12.022 -12.500 -3.086 1.00 0.00 H ATOM 1456 HB3 ALA A 91 -11.941 -14.028 -2.176 1.00 0.00 H ATOM 1457 H ALA A 91 -9.409 -11.172 -3.375 1.00 0.00 H ATOM 1458 N ASN A 92 -9.144 -14.979 -3.507 1.00 16.19 N ATOM 1459 CA ASN A 92 -8.699 -15.740 -4.678 1.00 18.23 C ATOM 1460 C ASN A 92 -7.758 -14.931 -5.572 1.00 17.53 C ATOM 1461 O ASN A 92 -7.882 -14.941 -6.813 1.00 17.09 O ATOM 1462 CB ASN A 92 -9.907 -16.228 -5.488 1.00 19.44 C ATOM 1463 CG ASN A 92 -10.855 -17.061 -4.669 1.00 26.47 C ATOM 1464 OD1 ASN A 92 -12.056 -16.781 -4.616 1.00 34.04 O ATOM 1465 ND2 ASN A 92 -10.322 -18.082 -4.000 1.00 31.36 N ATOM 1466 HA ASN A 92 -8.139 -16.599 -4.309 1.00 0.00 H ATOM 1467 HB2 ASN A 92 -10.445 -15.360 -5.870 1.00 0.00 H ATOM 1468 HB3 ASN A 92 -9.548 -16.828 -6.324 1.00 0.00 H ATOM 1469 HD22 ASN A 92 -9.304 -18.279 -4.076 1.00 0.00 H ATOM 1470 HD21 ASN A 92 -10.924 -18.682 -3.401 1.00 0.00 H ATOM 1471 H ASN A 92 -9.081 -15.408 -2.562 1.00 0.00 H ATOM 1472 N GLN A 93 -6.820 -14.227 -4.928 1.00 15.74 N ATOM 1473 CA GLN A 93 -5.719 -13.538 -5.598 1.00 15.34 C ATOM 1474 C GLN A 93 -6.136 -12.336 -6.455 1.00 16.01 C ATOM 1475 O GLN A 93 -5.400 -11.921 -7.347 1.00 15.95 O ATOM 1476 CB GLN A 93 -4.859 -14.533 -6.401 1.00 16.45 C ATOM 1477 CG GLN A 93 -4.475 -15.761 -5.611 1.00 17.83 C ATOM 1478 CD GLN A 93 -3.226 -16.417 -6.142 1.00 25.20 C ATOM 1479 OE1 GLN A 93 -2.198 -15.768 -6.310 1.00 21.12 O ATOM 1480 NE2 GLN A 93 -3.312 -17.717 -6.418 1.00 30.51 N ATOM 1481 HA GLN A 93 -5.117 -13.108 -4.797 1.00 0.00 H ATOM 1482 HB2 GLN A 93 -5.423 -14.848 -7.279 1.00 0.00 H ATOM 1483 HB3 GLN A 93 -3.948 -14.026 -6.718 1.00 0.00 H ATOM 1484 HG2 GLN A 93 -4.305 -15.472 -4.574 1.00 0.00 H ATOM 1485 HG3 GLN A 93 -5.295 -16.478 -5.657 1.00 0.00 H ATOM 1486 HE22 GLN A 93 -4.206 -18.224 -6.259 1.00 0.00 H ATOM 1487 HE21 GLN A 93 -2.485 -18.225 -6.793 1.00 0.00 H ATOM 1488 H GLN A 93 -6.878 -14.167 -3.891 1.00 0.00 H ATOM 1489 N ALA A 94 -7.302 -11.760 -6.170 1.00 15.55 N ATOM 1490 CA ALA A 94 -7.727 -10.554 -6.894 1.00 15.12 C ATOM 1491 C ALA A 94 -8.492 -9.625 -5.964 1.00 14.21 C ATOM 1492 O ALA A 94 -9.146 -10.090 -5.012 1.00 14.07 O ATOM 1493 CB ALA A 94 -8.575 -10.915 -8.096 1.00 15.25 C ATOM 1494 HA ALA A 94 -6.836 -10.038 -7.252 1.00 0.00 H ATOM 1495 HB1 ALA A 94 -7.996 -11.544 -8.772 1.00 0.00 H ATOM 1496 HB2 ALA A 94 -9.461 -11.456 -7.764 1.00 0.00 H ATOM 1497 HB3 ALA A 94 -8.876 -10.004 -8.614 1.00 0.00 H ATOM 1498 H ALA A 94 -7.914 -12.165 -5.433 1.00 0.00 H ATOM 1499 N PRO A 95 -8.400 -8.306 -6.206 1.00 13.93 N ATOM 1500 CA PRO A 95 -9.291 -7.402 -5.491 1.00 12.94 C ATOM 1501 C PRO A 95 -10.727 -7.665 -5.908 1.00 13.76 C ATOM 1502 O PRO A 95 -11.025 -7.772 -7.119 1.00 14.35 O ATOM 1503 CB PRO A 95 -8.849 -6.016 -5.974 1.00 13.46 C ATOM 1504 CG PRO A 95 -7.459 -6.203 -6.453 1.00 13.75 C ATOM 1505 CD PRO A 95 -7.474 -7.569 -7.082 1.00 12.98 C ATOM 1506 HA PRO A 95 -9.245 -7.513 -4.408 1.00 0.00 H ATOM 1507 HD3 PRO A 95 -7.846 -7.529 -8.106 1.00 0.00 H ATOM 1508 HD2 PRO A 95 -6.481 -8.018 -7.075 1.00 0.00 H ATOM 1509 HG3 PRO A 95 -6.754 -6.166 -5.623 1.00 0.00 H ATOM 1510 HG2 PRO A 95 -7.195 -5.441 -7.186 1.00 0.00 H ATOM 1511 HB2 PRO A 95 -9.491 -5.669 -6.784 1.00 0.00 H ATOM 1512 HB3 PRO A 95 -8.879 -5.297 -5.155 1.00 0.00 H ATOM 1513 N VAL A 96 -11.617 -7.789 -4.920 1.00 11.91 N ATOM 1514 CA VAL A 96 -13.026 -8.006 -5.234 1.00 11.55 C ATOM 1515 C VAL A 96 -13.958 -6.955 -4.670 1.00 12.64 C ATOM 1516 O VAL A 96 -15.109 -6.921 -5.050 1.00 14.74 O ATOM 1517 CB VAL A 96 -13.529 -9.417 -4.814 1.00 12.31 C ATOM 1518 CG1 VAL A 96 -12.740 -10.506 -5.555 1.00 14.43 C ATOM 1519 CG2 VAL A 96 -13.413 -9.592 -3.285 1.00 11.21 C ATOM 1520 HA VAL A 96 -13.059 -7.925 -6.320 1.00 0.00 H ATOM 1521 HB VAL A 96 -14.579 -9.514 -5.088 1.00 0.00 H ATOM 1522 HG11 VAL A 96 -12.876 -10.384 -6.630 1.00 0.00 H ATOM 1523 HG12 VAL A 96 -11.682 -10.417 -5.309 1.00 0.00 H ATOM 1524 HG13 VAL A 96 -13.104 -11.487 -5.250 1.00 0.00 H ATOM 1525 HG21 VAL A 96 -12.371 -9.481 -2.986 1.00 0.00 H ATOM 1526 HG22 VAL A 96 -14.018 -8.834 -2.787 1.00 0.00 H ATOM 1527 HG23 VAL A 96 -13.769 -10.584 -3.006 1.00 0.00 H ATOM 1528 H VAL A 96 -11.307 -7.731 -3.929 1.00 0.00 H ATOM 1529 N HIS A 97 -13.471 -6.122 -3.750 1.00 11.72 N ATOM 1530 CA HIS A 97 -14.247 -4.983 -3.264 1.00 12.18 C ATOM 1531 C HIS A 97 -13.304 -3.846 -2.936 1.00 11.21 C ATOM 1532 O HIS A 97 -12.160 -4.083 -2.545 1.00 13.13 O ATOM 1533 CB HIS A 97 -15.043 -5.339 -1.996 1.00 12.96 C ATOM 1534 CG HIS A 97 -16.291 -6.112 -2.270 1.00 16.41 C ATOM 1535 ND1 HIS A 97 -17.364 -5.577 -2.946 1.00 19.24 N ATOM 1536 CD2 HIS A 97 -16.637 -7.382 -1.953 1.00 17.65 C ATOM 1537 CE1 HIS A 97 -18.318 -6.487 -3.038 1.00 21.35 C ATOM 1538 NE2 HIS A 97 -17.898 -7.591 -2.451 1.00 21.26 N ATOM 1539 HA HIS A 97 -14.950 -4.697 -4.046 1.00 0.00 H ATOM 1540 HB2 HIS A 97 -14.404 -5.935 -1.344 1.00 0.00 H ATOM 1541 HB3 HIS A 97 -15.315 -4.413 -1.489 1.00 0.00 H ATOM 1542 HD2 HIS A 97 -16.029 -8.102 -1.406 1.00 0.00 H ATOM 1543 HE1 HIS A 97 -19.287 -6.349 -3.517 1.00 0.00 H ATOM 1544 H HIS A 97 -12.517 -6.287 -3.370 1.00 0.00 H ATOM 1545 N PHE A 98 -13.789 -2.610 -3.079 1.00 10.57 N ATOM 1546 CA PHE A 98 -13.031 -1.458 -2.655 1.00 11.49 C ATOM 1547 C PHE A 98 -13.459 -1.105 -1.237 1.00 13.12 C ATOM 1548 O PHE A 98 -14.653 -0.900 -0.986 1.00 15.42 O ATOM 1549 CB PHE A 98 -13.283 -0.277 -3.595 1.00 12.84 C ATOM 1550 CG PHE A 98 -12.290 0.837 -3.429 1.00 11.95 C ATOM 1551 CD1 PHE A 98 -12.514 1.857 -2.506 1.00 12.09 C ATOM 1552 CD2 PHE A 98 -11.124 0.867 -4.203 1.00 13.52 C ATOM 1553 CE1 PHE A 98 -11.582 2.898 -2.330 1.00 13.63 C ATOM 1554 CE2 PHE A 98 -10.198 1.886 -4.038 1.00 16.02 C ATOM 1555 CZ PHE A 98 -10.422 2.906 -3.112 1.00 15.21 C ATOM 1556 HA PHE A 98 -11.965 -1.683 -2.680 1.00 0.00 H ATOM 1557 HB2 PHE A 98 -13.232 -0.636 -4.623 1.00 0.00 H ATOM 1558 HB3 PHE A 98 -14.280 0.116 -3.398 1.00 0.00 H ATOM 1559 HD2 PHE A 98 -10.943 0.085 -4.940 1.00 0.00 H ATOM 1560 HE2 PHE A 98 -9.287 1.890 -4.637 1.00 0.00 H ATOM 1561 HZ PHE A 98 -9.693 3.709 -2.998 1.00 0.00 H ATOM 1562 HE1 PHE A 98 -11.761 3.684 -1.597 1.00 0.00 H ATOM 1563 HD1 PHE A 98 -13.427 1.849 -1.910 1.00 0.00 H ATOM 1564 H PHE A 98 -14.729 -2.476 -3.503 1.00 0.00 H ATOM 1565 N VAL A 99 -12.496 -1.024 -0.322 1.00 12.41 N ATOM 1566 CA VAL A 99 -12.805 -0.777 1.094 1.00 12.62 C ATOM 1567 C VAL A 99 -12.700 0.691 1.475 1.00 14.26 C ATOM 1568 O VAL A 99 -13.632 1.263 2.057 1.00 15.42 O ATOM 1569 CB VAL A 99 -11.953 -1.665 2.020 1.00 12.84 C ATOM 1570 CG1 VAL A 99 -12.136 -1.288 3.508 1.00 14.25 C ATOM 1571 CG2 VAL A 99 -12.341 -3.105 1.774 1.00 13.94 C ATOM 1572 HA VAL A 99 -13.850 -1.054 1.234 1.00 0.00 H ATOM 1573 HB VAL A 99 -10.897 -1.515 1.794 1.00 0.00 H ATOM 1574 HG11 VAL A 99 -11.837 -0.251 3.658 1.00 0.00 H ATOM 1575 HG12 VAL A 99 -13.183 -1.409 3.786 1.00 0.00 H ATOM 1576 HG13 VAL A 99 -11.517 -1.939 4.125 1.00 0.00 H ATOM 1577 HG21 VAL A 99 -13.400 -3.237 1.995 1.00 0.00 H ATOM 1578 HG22 VAL A 99 -12.152 -3.358 0.731 1.00 0.00 H ATOM 1579 HG23 VAL A 99 -11.750 -3.755 2.420 1.00 0.00 H ATOM 1580 H VAL A 99 -11.505 -1.138 -0.615 1.00 0.00 H ATOM 1581 N GLY A 100 -11.572 1.295 1.153 1.00 13.41 N ATOM 1582 CA GLY A 100 -11.413 2.699 1.479 1.00 13.48 C ATOM 1583 C GLY A 100 -10.138 3.301 0.982 1.00 13.43 C ATOM 1584 O GLY A 100 -9.282 2.615 0.418 1.00 13.48 O ATOM 1585 HA3 GLY A 100 -11.441 2.804 2.564 1.00 0.00 H ATOM 1586 HA2 GLY A 100 -12.245 3.249 1.040 1.00 0.00 H ATOM 1587 H GLY A 100 -10.810 0.773 0.674 1.00 0.00 H ATOM 1588 N VAL A 101 -10.025 4.606 1.180 1.00 12.16 N ATOM 1589 CA VAL A 101 -8.802 5.313 0.849 1.00 12.40 C ATOM 1590 C VAL A 101 -8.031 5.621 2.120 1.00 13.27 C ATOM 1591 O VAL A 101 -8.625 6.039 3.118 1.00 12.15 O ATOM 1592 CB VAL A 101 -9.128 6.637 0.130 1.00 13.36 C ATOM 1593 CG1 VAL A 101 -7.862 7.400 -0.157 1.00 16.28 C ATOM 1594 CG2 VAL A 101 -9.893 6.369 -1.170 1.00 14.76 C ATOM 1595 HA VAL A 101 -8.202 4.683 0.192 1.00 0.00 H ATOM 1596 HB VAL A 101 -9.759 7.239 0.784 1.00 0.00 H ATOM 1597 HG11 VAL A 101 -7.351 7.619 0.781 1.00 0.00 H ATOM 1598 HG12 VAL A 101 -7.213 6.799 -0.794 1.00 0.00 H ATOM 1599 HG13 VAL A 101 -8.108 8.332 -0.665 1.00 0.00 H ATOM 1600 HG21 VAL A 101 -9.283 5.750 -1.828 1.00 0.00 H ATOM 1601 HG22 VAL A 101 -10.825 5.851 -0.942 1.00 0.00 H ATOM 1602 HG23 VAL A 101 -10.113 7.316 -1.662 1.00 0.00 H ATOM 1603 H VAL A 101 -10.827 5.133 1.580 1.00 0.00 H ATOM 1604 N GLY A 102 -6.713 5.417 2.080 1.00 12.66 N ATOM 1605 CA GLY A 102 -5.832 5.775 3.210 1.00 14.15 C ATOM 1606 C GLY A 102 -5.804 4.755 4.328 1.00 15.03 C ATOM 1607 O GLY A 102 -4.812 4.642 5.042 1.00 15.31 O ATOM 1608 HA3 GLY A 102 -6.174 6.724 3.622 1.00 0.00 H ATOM 1609 HA2 GLY A 102 -4.818 5.891 2.828 1.00 0.00 H ATOM 1610 H GLY A 102 -6.294 4.993 1.228 1.00 0.00 H ATOM 1611 N SER A 103 -6.876 3.985 4.467 1.00 15.02 N ATOM 1612 CA SER A 103 -6.967 3.012 5.557 1.00 16.48 C ATOM 1613 C SER A 103 -7.990 1.938 5.233 1.00 17.10 C ATOM 1614 O SER A 103 -8.928 2.167 4.448 1.00 18.61 O ATOM 1615 CB SER A 103 -7.399 3.728 6.839 1.00 17.18 C ATOM 1616 OG SER A 103 -7.451 2.824 7.930 1.00 24.66 O ATOM 1617 HA SER A 103 -5.990 2.547 5.689 1.00 0.00 H ATOM 1618 HB2 SER A 103 -8.387 4.164 6.689 1.00 0.00 H ATOM 1619 HB3 SER A 103 -6.684 4.519 7.064 1.00 0.00 H ATOM 1620 HG SER A 103 -7.732 3.309 8.746 1.00 0.00 H ATOM 1621 H SER A 103 -7.662 4.074 3.792 1.00 0.00 H ATOM 1622 N CYS A 104 -7.836 0.775 5.864 1.00 18.65 N ATOM 1623 CA CYS A 104 -8.888 -0.237 5.809 1.00 20.05 C ATOM 1624 C CYS A 104 -10.014 0.132 6.771 1.00 22.74 C ATOM 1625 O CYS A 104 -11.038 -0.548 6.876 1.00 23.90 O ATOM 1626 CB CYS A 104 -8.317 -1.624 6.103 1.00 19.97 C ATOM 1627 SG CYS A 104 -7.255 -2.233 4.756 1.00 19.47 S ATOM 1628 HA CYS A 104 -9.305 -0.269 4.802 1.00 0.00 H ATOM 1629 OXT CYS A 104 -9.930 1.153 7.460 1.00 23.95 O ATOM 1630 HB2 CYS A 104 -9.143 -2.322 6.241 1.00 0.00 H ATOM 1631 HB3 CYS A 104 -7.728 -1.574 7.019 1.00 0.00 H ATOM 1632 H CYS A 104 -6.964 0.587 6.398 1.00 0.00 H TER 1633 CYS A 104 HETATM 1634 O HOH 1 -2.037 4.948 -10.056 1.00 12.08 O HETATM 1635 O HOH 2 -9.345 11.488 -4.919 1.00 15.33 O HETATM 1636 O HOH 3 -15.773 3.404 -3.895 1.00 13.37 O HETATM 1637 O HOH 4 -26.538 10.149 -4.961 1.00 14.74 O HETATM 1638 O HOH 5 -6.397 -14.734 3.772 1.00 19.05 O HETATM 1639 O HOH 6 -21.354 14.178 -18.400 1.00 21.33 O HETATM 1640 O HOH 7 -5.115 8.976 4.036 1.00 19.14 O HETATM 1641 O HOH 8 -27.365 14.273 -3.861 1.00 17.92 O HETATM 1642 O HOH 9 -16.425 14.743 -13.746 1.00 16.16 O HETATM 1643 O HOH 10 -25.795 12.491 -14.026 1.00 21.64 O HETATM 1644 O HOH 11 -15.117 8.638 -17.550 1.00 16.11 O HETATM 1645 O HOH 12 -18.894 14.779 -15.062 1.00 16.43 O HETATM 1646 O HOH 13 1.283 12.448 -5.582 1.00 15.63 O HETATM 1647 O HOH 14 -13.591 6.500 -16.407 1.00 19.35 O HETATM 1648 O HOH 15 -14.209 -12.027 -12.137 1.00 15.84 O HETATM 1649 O HOH 16 -12.751 -16.571 2.298 1.00 20.17 O HETATM 1650 O HOH 17 -0.616 -10.053 -1.544 1.00 21.29 O HETATM 1651 O HOH 18 -11.992 3.203 -17.830 1.00 16.22 O HETATM 1652 O HOH 19 -12.705 -12.925 -9.104 1.00 14.53 O HETATM 1653 O HOH 20 -13.476 -8.744 -19.300 1.00 20.75 O HETATM 1654 O HOH 21 0.415 10.618 -1.930 1.00 19.74 O HETATM 1655 O HOH 22 -17.715 11.869 3.379 1.00 16.25 O HETATM 1656 O HOH 23 -15.967 -4.031 -6.431 1.00 14.49 O HETATM 1657 O HOH 24 -6.635 10.796 -1.204 1.00 22.04 O HETATM 1658 O HOH 25 -29.701 16.240 -11.681 1.00 21.43 O HETATM 1659 O HOH 26 -21.893 17.983 -11.844 1.00 21.63 O HETATM 1660 O HOH 27 -14.175 3.626 -16.310 1.00 23.77 O HETATM 1661 O HOH 28 -16.781 12.268 -21.361 1.00 21.62 O HETATM 1662 O HOH 29 -11.605 -1.053 -15.835 1.00 18.68 O HETATM 1663 O HOH 30 -5.789 0.271 7.614 1.00 27.51 O HETATM 1664 O HOH 31 0.164 -3.295 -2.250 1.00 19.77 O HETATM 1665 O HOH 32 3.126 1.547 -17.891 1.00 27.32 O HETATM 1666 O HOH 33 -15.222 16.343 -0.358 1.00 25.47 O HETATM 1667 O HOH 34 -0.161 -6.011 -1.262 1.00 19.75 O HETATM 1668 O HOH 35 -5.722 10.543 -17.745 1.00 18.59 O HETATM 1669 O HOH 36 -22.434 5.778 -2.239 1.00 26.62 O HETATM 1670 O HOH 37 -15.944 18.152 -11.216 1.00 19.37 O HETATM 1671 O HOH 38 -6.589 17.185 -16.297 1.00 31.51 O HETATM 1672 O HOH 39 -25.552 21.859 -4.862 1.00 24.55 O HETATM 1673 O HOH 40 -24.499 20.333 -8.651 1.00 24.76 O HETATM 1674 O HOH 41 -2.330 5.406 4.549 1.00 22.82 O HETATM 1675 O HOH 42 -9.341 -2.958 -16.110 1.00 26.54 O HETATM 1676 O HOH 43 -10.038 -8.824 6.476 1.00 27.39 O HETATM 1677 O HOH 44 -16.034 8.228 2.051 1.00 21.88 O HETATM 1678 O HOH 45 -2.992 -4.367 5.151 1.00 20.38 O HETATM 1679 O HOH 46 -3.947 -6.894 5.426 1.00 22.41 O HETATM 1680 O HOH 47 -8.503 -13.783 -11.453 1.00 23.73 O HETATM 1681 O HOH 48 0.691 0.122 3.699 1.00 28.49 O HETATM 1682 O HOH 49 -2.611 8.084 3.849 1.00 23.97 O HETATM 1683 O HOH 50 -17.609 8.210 -18.744 1.00 24.09 O HETATM 1684 O HOH 51 -9.647 -8.814 -16.780 1.00 28.58 O HETATM 1685 O HOH 52 -0.929 -8.553 -11.751 1.00 22.80 O HETATM 1686 O HOH 53 -16.749 9.536 -21.026 1.00 30.31 O HETATM 1687 O HOH 54 -18.488 6.306 13.879 1.00 28.17 O HETATM 1688 O HOH 55 -11.733 -16.815 -1.175 1.00 27.48 O HETATM 1689 O HOH 56 -1.139 -10.449 -9.815 1.00 29.94 O HETATM 1690 O HOH 57 -11.954 -7.174 -17.787 1.00 27.69 O HETATM 1691 O HOH 58 -14.118 -5.906 -16.229 1.00 22.08 O HETATM 1692 O HOH 59 -9.192 17.487 -7.852 1.00 29.34 O HETATM 1693 O HOH 60 -10.572 0.812 -17.574 1.00 30.41 O HETATM 1694 O HOH 61 -14.200 9.127 -20.167 1.00 27.25 O HETATM 1695 O HOH 62 1.208 -3.622 -7.202 1.00 29.00 O HETATM 1696 O HOH 63 -13.043 12.357 -2.053 1.00 29.61 O HETATM 1697 O HOH 64 -11.438 3.151 8.417 1.00 27.24 O HETATM 1698 O HOH 65 -13.324 5.804 -0.950 1.00 20.28 O HETATM 1699 O HOH 66 -9.705 -14.486 -8.915 1.00 28.55 O HETATM 1700 O HOH 67 1.484 -8.583 -12.664 1.00 32.02 O HETATM 1701 O HOH 68 -7.177 1.072 -16.939 1.00 28.59 O HETATM 1702 O HOH 69 -15.620 -7.366 1.485 1.00 35.64 O HETATM 1703 O HOH 70 2.076 -8.751 -4.949 1.00 26.25 O HETATM 1704 O HOH 71 -22.260 -4.918 -1.595 1.00 33.40 O HETATM 1705 O HOH 72 -14.816 -11.727 -0.252 1.00 28.56 O HETATM 1706 O HOH 73 -19.026 7.548 5.039 1.00 24.81 O HETATM 1707 O HOH 74 -2.881 -11.602 -8.066 1.00 30.45 O HETATM 1708 O HOH 75 -0.461 2.603 -12.704 1.00 31.40 O HETATM 1709 O HOH 76 -29.189 5.252 -12.599 1.00 27.83 O HETATM 1710 O HOH 77 -28.903 11.161 -14.374 1.00 44.33 O HETATM 1711 O HOH 78 -14.262 -15.608 -0.958 1.00 23.44 O HETATM 1712 O HOH 79 -5.401 2.260 -18.832 1.00 41.96 O HETATM 1713 O HOH 80 -13.364 -3.190 -16.907 1.00 33.65 O HETATM 1714 O HOH 81 -5.326 15.985 -4.383 1.00 30.66 O HETATM 1715 O HOH 82 -15.616 -7.605 -18.338 1.00 28.61 O HETATM 1716 O HOH 83 -13.662 -0.803 6.618 1.00 26.54 O HETATM 1717 O HOH 84 -7.967 19.086 -13.462 1.00 41.98 O HETATM 1718 O HOH 85 -18.836 3.239 -3.901 1.00 21.97 O HETATM 1719 O HOH 86 -17.532 4.281 12.336 1.00 28.02 O HETATM 1720 O HOH 87 -21.839 -6.145 -4.625 1.00 29.45 O HETATM 1721 O HOH 88 -12.373 13.044 -19.532 1.00 24.75 O HETATM 1722 O HOH 89 -0.444 -4.268 3.434 1.00 27.49 O HETATM 1723 O HOH 90 -14.469 1.984 -14.301 1.00 31.13 O HETATM 1724 O HOH 91 -11.290 -13.597 -7.087 1.00 33.03 O HETATM 1725 O HOH 92 -15.065 -13.361 -2.332 1.00 26.26 O HETATM 1726 O HOH 93 -20.952 13.754 -1.639 1.00 29.49 O HETATM 1727 O HOH 94 -15.075 -14.876 -9.199 1.00 28.86 O HETATM 1728 O HOH 95 0.856 7.263 1.762 1.00 28.35 O HETATM 1729 O HOH 96 -13.278 -14.635 -5.630 1.00 36.27 O HETATM 1730 O HOH 97 -3.965 4.043 -17.531 1.00 40.92 O HETATM 1731 O HOH 98 -26.671 22.431 -10.952 1.00 36.90 O HETATM 1732 O HOH 99 -17.880 0.674 -15.640 1.00 30.06 O HETATM 1733 O HOH 100 -2.981 -11.346 7.331 1.00 32.34 O HETATM 1734 O HOH 101 -12.233 -19.033 1.127 1.00 29.85 O HETATM 1735 O HOH 102 -21.232 8.028 6.848 1.00 38.53 O HETATM 1736 O HOH 103 -14.676 -3.330 5.093 1.00 32.54 O HETATM 1737 O HOH 104 -21.433 3.494 6.756 1.00 49.79 O HETATM 1738 O HOH 105 -14.290 4.002 2.693 1.00 26.63 O HETATM 1739 O HOH 106 -20.082 -0.701 -16.028 1.00 37.14 O HETATM 1740 O HOH 107 -14.852 3.512 -0.944 1.00 37.70 O HETATM 1741 O HOH 108 4.109 -5.269 -1.697 1.00 35.25 O HETATM 1742 O HOH 109 5.160 3.262 0.668 1.00 28.81 O HETATM 1743 O HOH 110 -12.699 10.886 -21.463 1.00 30.88 O HETATM 1744 O HOH 111 -23.858 -2.306 -8.636 1.00 29.64 O HETATM 1745 O HOH 112 -6.675 -9.408 -15.535 1.00 31.88 O HETATM 1746 O HOH 113 -11.261 17.923 -10.652 1.00 32.74 O HETATM 1747 O HOH 114 -21.983 0.215 -7.440 1.00 35.89 O HETATM 1748 O HOH 115 -24.516 -5.055 -4.576 1.00 44.89 O HETATM 1749 O HOH 116 -20.972 -0.682 8.066 1.00 44.59 O HETATM 1750 O HOH 117 -19.845 -9.242 -2.289 1.00 34.23 O HETATM 1751 O HOH 118 -10.798 -3.618 7.320 1.00 38.39 O HETATM 1752 O HOH 119 -13.444 18.408 -6.280 1.00 32.82 O HETATM 1753 O HOH 120 -3.606 -13.224 -11.841 1.00 49.22 O HETATM 1754 O HOH 121 -3.601 -13.834 3.797 1.00 26.97 O HETATM 1755 O HOH 122 1.969 -16.090 -4.706 1.00 28.04 O HETATM 1756 O HOH 123 -19.409 -12.956 -8.267 1.00 36.11 O HETATM 1757 O HOH 124 -10.634 -14.932 5.546 1.00 36.56 O HETATM 1758 O HOH 125 -2.310 -15.222 2.080 1.00 32.28 O HETATM 1759 O HOH 126 -22.843 -7.703 -6.709 1.00 32.59 O HETATM 1760 O HOH 127 -1.159 -9.229 3.152 1.00 48.25 O HETATM 1761 O HOH 128 -21.514 1.890 2.514 1.00 36.75 O HETATM 1762 O HOH 129 2.525 -7.067 -14.884 1.00 35.71 O HETATM 1763 O HOH 130 -17.630 5.327 -0.847 1.00 33.28 O HETATM 1764 O HOH 131 -18.618 -11.053 -12.890 1.00 33.30 O HETATM 1765 O HOH 132 -11.248 -19.262 -1.537 1.00 35.75 O HETATM 1766 O HOH 133 -14.689 -0.924 -17.640 1.00 45.43 O HETATM 1767 O HOH 134 -21.743 7.269 0.256 1.00 26.75 O HETATM 1768 O HOH 135 -2.440 -9.266 -13.991 1.00 30.51 O HETATM 1769 O HOH 136 -27.750 -0.931 -3.571 1.00 33.35 O HETATM 1770 O HOH 137 -7.877 7.360 -21.849 1.00 47.85 O HETATM 1771 O HOH 138 -22.485 -5.031 -8.240 1.00 36.06 O HETATM 1772 O HOH 139 -22.182 -11.009 -6.080 1.00 35.34 O HETATM 1773 O HOH 140 0.043 -17.431 -5.595 1.00 32.64 O HETATM 1774 O HOH 141 -4.729 -15.169 -13.295 1.00 35.55 O HETATM 1775 O HOH 142 -24.382 7.335 -18.935 1.00 42.50 O HETATM 1776 O HOH 143 -29.999 15.100 -4.070 1.00 39.84 O HETATM 1777 O HOH 144 -19.299 1.064 -6.119 1.00 34.07 O HETATM 1778 O HOH 145 -16.400 3.422 -18.584 1.00 38.26 O HETATM 1779 O HOH 146 -22.535 -6.593 -10.439 1.00 41.40 O HETATM 1780 O HOH 147 -10.874 17.536 -14.955 1.00 31.27 O HETATM 1781 O HOH 148 -18.845 -8.240 -14.189 1.00 34.26 O HETATM 1782 O HOH 149 -10.115 12.563 -2.643 1.00 41.33 O HETATM 1783 O HOH 150 -2.330 14.491 -20.338 1.00 53.54 O HETATM 1784 O HOH 151 1.918 6.435 4.145 1.00 40.20 O HETATM 1785 O HOH 152 -20.493 -2.675 -17.834 1.00 40.64 O HETATM 1786 O HOH 153 -10.868 -16.850 -9.322 1.00 40.82 O HETATM 1787 O HOH 154 -16.771 5.590 1.631 1.00 40.82 O HETATM 1788 O HOH 155 -8.574 -2.422 -18.389 1.00 40.70 O HETATM 1789 O HOH 156 -5.220 -13.048 -14.903 1.00 35.82 O HETATM 1790 O HOH 157 -2.791 11.842 -20.516 1.00 53.89 O HETATM 1791 O HOH 158 -14.098 -7.138 3.582 1.00 35.41 O HETATM 1792 O HOH 159 -12.344 8.845 -0.977 1.00 46.21 O HETATM 1793 O HOH 160 -7.616 -7.092 -16.955 1.00 35.10 O HETATM 1794 O HOH 161 -14.701 20.405 -10.598 1.00 36.33 O HETATM 1795 O HOH 162 -26.600 6.350 -18.265 1.00 35.83 O HETATM 1796 O HOH 163 -7.537 3.504 10.631 1.00 35.46 O HETATM 1797 O HOH 164 -13.005 5.972 -19.771 1.00 50.88 O HETATM 1798 O HOH 165 -6.597 -2.870 -19.828 1.00 44.96 O HETATM 1799 O HOH 166 -3.955 -2.631 -19.514 1.00 49.65 O HETATM 1800 O HOH 167 -2.021 5.893 -14.197 1.00 34.13 O HETATM 1801 O HOH 168 0.022 -4.833 0.890 1.00 40.06 O HETATM 1802 O HOH 169 -0.696 9.041 -16.453 1.00 37.63 O HETATM 1803 O HOH 170 -23.064 20.027 -10.869 1.00 36.39 O HETATM 1804 O HOH 171 -10.185 10.061 -1.759 1.00 46.87 O HETATM 1805 O HOH 172 -4.277 -5.143 -19.628 1.00 38.62 O HETATM 1806 O HOH 173 -1.163 -12.527 -12.137 1.00 45.74 O HETATM 1807 O HOH 174 -4.550 -7.457 -14.753 1.00 34.92 O HETATM 1808 O HOH 175 -18.077 5.708 -19.232 1.00 48.23 O HETATM 1809 O HOH 176 -0.507 3.544 6.378 1.00 37.50 O HETATM 1810 O HOH 177 -14.731 -2.581 8.366 1.00 42.18 O HETATM 1811 O HOH 178 -11.739 -7.280 8.293 1.00 41.20 O HETATM 1812 O HOH 179 -22.714 10.765 0.889 1.00 42.19 O HETATM 1813 O HOH 180 0.365 -14.713 -9.195 1.00 49.64 O HETATM 1814 O HOH 181 -20.485 7.316 -22.745 1.00 49.68 O HETATM 1815 O HOH 182 -15.847 -4.959 1.394 1.00 36.89 O HETATM 1816 O HOH 183 -14.655 12.221 0.331 1.00 46.05 O HETATM 1817 O HOH 184 -9.060 11.953 -20.426 1.00 46.97 O HETATM 1818 O HOH 185 -20.910 4.259 1.785 1.00 47.48 O HETATM 1819 O HOH 186 -13.288 -17.061 -8.265 1.00 45.04 O HETATM 1820 O HOH 187 -15.806 6.225 -2.621 1.00 41.52 O HETATM 1821 O HOH 188 -22.024 -3.727 -15.882 1.00 47.82 O HETATM 1822 O HOH 189 -20.719 1.790 -16.461 1.00 42.20 O HETATM 1823 O HOH 190 -13.056 1.805 -20.001 1.00 49.42 O HETATM 1824 O HOH 191 -21.094 -9.111 -10.389 1.00 47.42 O HETATM 1825 O HOH 192 -3.025 8.822 -21.235 1.00 52.00 O HETATM 1826 O HOH 193 -7.238 -5.323 -18.964 1.00 42.24 O HETATM 1827 P AMP A 194 -22.554 -2.032 -5.063 1.00 0.20 P HETATM 1828 O1P AMP A 194 -22.704 -3.478 -5.485 1.00 -0.55 O HETATM 1829 O2P AMP A 194 -23.860 -1.260 -5.003 1.00 -0.55 O HETATM 1830 O3P AMP A 194 -21.407 -1.317 -5.744 1.00 -0.55 O HETATM 1831 O5' AMP A 194 -22.069 -2.141 -3.532 1.00 -0.27 O HETATM 1832 C5' AMP A 194 -21.694 -0.978 -2.795 1.00 0.11 C HETATM 1833 C4' AMP A 194 -22.392 -1.044 -1.449 1.00 0.12 C HETATM 1834 O4' AMP A 194 -22.124 -2.315 -0.851 1.00 -0.34 O HETATM 1835 C1' AMP A 194 -21.937 -2.166 0.556 1.00 0.20 C HETATM 1836 C2' AMP A 194 -21.855 -0.678 0.860 1.00 0.14 C HETATM 1837 C3' AMP A 194 -21.873 0.012 -0.488 1.00 0.11 C HETATM 1838 O3' AMP A 194 -22.704 1.179 -0.479 1.00 -0.39 O HETATM 1839 H5 AMP A 194 -23.583 0.938 -0.211 1.00 0.21 H HETATM 1840 H4 AMP A 194 -20.853 0.310 -0.772 1.00 0.06 H HETATM 1841 O2' AMP A 194 -22.970 -0.279 1.673 1.00 -0.38 O HETATM 1842 H7 AMP A 194 -22.937 0.660 1.815 1.00 0.21 H HETATM 1843 H6 AMP A 194 -20.920 -0.446 1.391 1.00 0.07 H HETATM 1844 N9 AMP A 194 -20.677 -2.786 1.033 1.00 -0.19 N HETATM 1845 C8 AMP A 194 -19.531 -2.971 0.342 1.00 0.11 C HETATM 1846 N7 AMP A 194 -18.590 -3.565 1.127 1.00 -0.30 N HETATM 1847 C5 AMP A 194 -19.142 -3.762 2.346 1.00 0.10 C HETATM 1848 C6 AMP A 194 -18.720 -4.341 3.648 1.00 0.13 C HETATM 1849 N6 AMP A 194 -17.476 -4.844 3.824 1.00 -0.32 N HETATM 1850 H10 AMP A 194 -17.205 -5.240 4.735 1.00 0.18 H HETATM 1851 H11 AMP A 194 -16.800 -4.830 3.047 1.00 0.18 H HETATM 1852 N1 AMP A 194 -19.614 -4.349 4.664 1.00 -0.27 N HETATM 1853 C2 AMP A 194 -20.861 -3.855 4.523 1.00 0.05 C HETATM 1854 N3 AMP A 194 -21.317 -3.318 3.378 1.00 -0.27 N HETATM 1855 C4 AMP A 194 -20.516 -3.243 2.277 1.00 0.16 C HETATM 1856 H12 AMP A 194 -21.529 -3.893 5.376 1.00 0.10 H HETATM 1857 H9 AMP A 194 -19.381 -2.685 -0.698 1.00 0.13 H HETATM 1858 H8 AMP A 194 -22.789 -2.618 1.085 1.00 0.10 H HETATM 1859 H3 AMP A 194 -23.474 -0.912 -1.595 1.00 0.07 H HETATM 1860 H1 AMP A 194 -22.008 -0.073 -3.336 1.00 0.06 H HETATM 1861 H2 AMP A 194 -20.604 -0.960 -2.652 1.00 0.06 H CONECT 1 2 7 CONECT 2 1 3 5 13 CONECT 3 2 4 14 CONECT 4 3 CONECT 5 2 6 11 12 CONECT 6 5 7 9 10 CONECT 7 1 6 8 CONECT 8 7 CONECT 9 6 CONECT 10 6 CONECT 11 5 CONECT 12 5 CONECT 13 2 CONECT 310 309 1081 CONECT 476 475 1184 CONECT 775 774 1443 CONECT 1081 310 1080 CONECT 1184 476 1183 CONECT 1403 1402 1627 CONECT 1443 775 1442 CONECT 1627 1403 1626 CONECT 1827 1828 1829 1830 1831 CONECT 1828 1827 CONECT 1829 1827 CONECT 1830 1827 CONECT 1831 1827 1832 CONECT 1832 1831 1833 1860 1861 CONECT 1833 1832 1834 1837 1859 CONECT 1834 1833 1835 CONECT 1835 1834 1836 1844 1858 CONECT 1836 1835 1837 1841 1843 CONECT 1837 1833 1836 1838 1840 CONECT 1838 1837 1839 CONECT 1839 1838 CONECT 1840 1837 CONECT 1841 1836 1842 CONECT 1842 1841 CONECT 1843 1836 CONECT 1844 1835 1845 1855 CONECT 1845 1844 1846 1857 CONECT 1846 1845 1847 CONECT 1847 1846 1848 1855 CONECT 1848 1847 1849 1852 CONECT 1849 1848 1850 1851 CONECT 1850 1849 CONECT 1851 1849 CONECT 1852 1848 1853 CONECT 1853 1852 1854 1856 CONECT 1854 1853 1855 CONECT 1855 1844 1847 1854 CONECT 1856 1853 CONECT 1857 1845 CONECT 1858 1835 CONECT 1859 1833 CONECT 1860 1832 CONECT 1861 1832 MASTER 0 0 0 0 0 0 0 0 1860 1 56 8 END
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Entry Information
PDB ID
2gmk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
P-30 protein(T89N/E91A ONC路5鈥)
Ligand Name
AMP
EC.Number
E.C.3.1.27.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Ki=590uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Mol.Biol. Vol. 375: pp. 165-177
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
7
P
Molecular Weight
348.229
Exact Mass
348.071
No. of atoms
38
No. of bonds
40
Polar Surface Area
202.82
LOGP Value
-3.71 (
Computed with XLOGP3
)
-1.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(O)(O)O
InChI String
InChI=1S/C10H16N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-20,23H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P22069
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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