Browse entries in the PDBbind-CN Database
HEADER 2UVM_COMPLEX COMPND 2UVM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 116 MET SER ASP VAL ALA ILE VAL LYS GLU GLY TRP LEU HIS SEQRES 2 A 116 LYS ARG GLY GLU TYR ILE LYS THR TRP ARG PRO ARG TYR SEQRES 3 A 116 PHE LEU LEU LYS ASN ASP GLY THR PHE ILE GLY TYR LYS SEQRES 4 A 116 GLU ARG PRO GLN ASP VAL ASP GLN ARG GLU ALA PRO LEU SEQRES 5 A 116 ASN ASN PHE SER VAL ALA GLN CYS GLN LEU MET LYS THR SEQRES 6 A 116 GLU ARG PRO ARG PRO ASN THR PHE ILE ILE ARG CYS LEU SEQRES 7 A 116 GLN TRP THR THR VAL ILE GLU ARG THR PHE HIS VAL GLU SEQRES 8 A 116 THR PRO GLU GLU ARG GLU GLU TRP THR THR ALA ILE GLN SEQRES 9 A 116 THR VAL ALA ASP GLY LEU LYS LYS GLN GLU GLU GLU HET GVF A 170 28 ATOM 1 N MET A 1 22.981 -2.419 -10.967 1.00 48.46 N ATOM 2 CA MET A 1 21.628 -2.731 -10.426 1.00 47.76 C ATOM 3 C MET A 1 21.742 -3.506 -9.121 1.00 47.16 C ATOM 4 O MET A 1 21.094 -3.164 -8.132 1.00 47.05 O ATOM 5 CB MET A 1 20.830 -3.544 -11.454 1.00 49.01 C ATOM 6 CG MET A 1 19.324 -3.694 -11.142 1.00 49.87 C ATOM 7 SD MET A 1 18.340 -2.148 -11.108 1.00 51.16 S ATOM 8 CE MET A 1 19.340 -1.024 -12.117 1.00 50.61 C ATOM 9 HA MET A 1 21.106 -1.795 -10.228 1.00 0.00 H ATOM 10 HB2 MET A 1 20.928 -3.054 -12.423 1.00 0.00 H ATOM 11 HB3 MET A 1 21.265 -4.542 -11.508 1.00 0.00 H ATOM 12 HG2 MET A 1 19.233 -4.167 -10.164 1.00 0.00 H ATOM 13 HG3 MET A 1 18.891 -4.346 -11.901 1.00 0.00 H ATOM 14 HE1 MET A 1 20.325 -0.909 -11.664 1.00 0.00 H ATOM 15 HE2 MET A 1 19.447 -1.436 -13.120 1.00 0.00 H ATOM 16 HE3 MET A 1 18.849 -0.053 -12.172 1.00 0.00 H ATOM 17 HN3 MET A 1 23.495 -3.306 -11.143 1.00 0.00 H ATOM 18 HN2 MET A 1 23.505 -1.844 -10.277 1.00 0.00 H ATOM 19 HN1 MET A 1 22.884 -1.890 -11.857 1.00 0.00 H ATOM 20 N SER A 2 22.554 -4.560 -9.122 1.00 46.05 N ATOM 21 CA SER A 2 22.749 -5.349 -7.912 1.00 44.84 C ATOM 22 C SER A 2 23.452 -4.494 -6.853 1.00 44.28 C ATOM 23 O SER A 2 23.698 -4.945 -5.730 1.00 45.69 O ATOM 24 CB SER A 2 23.562 -6.613 -8.212 1.00 44.19 C ATOM 25 OG SER A 2 22.744 -7.594 -8.827 1.00 38.62 O ATOM 26 HA SER A 2 21.776 -5.661 -7.532 1.00 0.00 H ATOM 27 HB2 SER A 2 23.962 -7.012 -7.280 1.00 0.00 H ATOM 28 HB3 SER A 2 24.385 -6.361 -8.881 1.00 0.00 H ATOM 29 HG SER A 2 23.284 -8.402 -9.014 1.00 0.00 H ATOM 30 H SER A 2 23.055 -4.824 -9.995 1.00 0.00 H ATOM 31 N ASP A 3 23.772 -3.258 -7.226 1.00 42.97 N ATOM 32 CA ASP A 3 24.405 -2.309 -6.315 1.00 41.29 C ATOM 33 C ASP A 3 23.343 -1.849 -5.317 1.00 39.26 C ATOM 34 O ASP A 3 23.641 -1.538 -4.164 1.00 40.14 O ATOM 35 CB ASP A 3 24.934 -1.107 -7.091 1.00 42.43 C ATOM 36 HA ASP A 3 25.243 -2.780 -5.801 1.00 0.00 H ATOM 37 HB2 ASP A 3 25.668 -1.443 -7.823 1.00 0.00 H ATOM 38 HB3 ASP A 3 24.107 -0.614 -7.603 1.00 0.00 H ATOM 39 H ASP A 3 23.564 -2.957 -8.200 1.00 0.00 H ATOM 40 N VAL A 4 22.098 -1.822 -5.779 1.00 35.52 N ATOM 41 CA VAL A 4 20.968 -1.401 -4.968 1.00 32.25 C ATOM 42 C VAL A 4 20.217 -2.634 -4.457 1.00 29.17 C ATOM 43 O VAL A 4 19.048 -2.562 -4.090 1.00 28.99 O ATOM 44 CB VAL A 4 20.033 -0.466 -5.811 1.00 32.33 C ATOM 45 CG1 VAL A 4 18.774 -0.108 -5.053 1.00 33.14 C ATOM 46 CG2 VAL A 4 20.767 0.814 -6.151 1.00 32.49 C ATOM 47 HA VAL A 4 21.318 -0.836 -4.104 1.00 0.00 H ATOM 48 HB VAL A 4 19.757 -1.006 -6.716 1.00 0.00 H ATOM 49 HG11 VAL A 4 18.225 -1.018 -4.812 1.00 0.00 H ATOM 50 HG12 VAL A 4 19.041 0.411 -4.132 1.00 0.00 H ATOM 51 HG13 VAL A 4 18.152 0.541 -5.670 1.00 0.00 H ATOM 52 HG21 VAL A 4 21.054 1.322 -5.230 1.00 0.00 H ATOM 53 HG22 VAL A 4 21.660 0.577 -6.730 1.00 0.00 H ATOM 54 HG23 VAL A 4 20.114 1.461 -6.737 1.00 0.00 H ATOM 55 H VAL A 4 21.925 -2.114 -6.762 1.00 0.00 H ATOM 56 N ALA A 5 20.908 -3.771 -4.414 1.00 24.80 N ATOM 57 CA ALA A 5 20.303 -5.012 -3.939 1.00 22.71 C ATOM 58 C ALA A 5 20.264 -5.030 -2.412 1.00 20.96 C ATOM 59 O ALA A 5 21.066 -4.365 -1.758 1.00 19.59 O ATOM 60 CB ALA A 5 21.087 -6.229 -4.457 1.00 22.86 C ATOM 61 HA ALA A 5 19.284 -5.065 -4.322 1.00 0.00 H ATOM 62 HB1 ALA A 5 21.080 -6.227 -5.547 1.00 0.00 H ATOM 63 HB2 ALA A 5 22.115 -6.177 -4.099 1.00 0.00 H ATOM 64 HB3 ALA A 5 20.619 -7.143 -4.091 1.00 0.00 H ATOM 65 H ALA A 5 21.900 -3.775 -4.725 1.00 0.00 H ATOM 66 N ILE A 6 19.319 -5.784 -1.864 1.00 18.21 N ATOM 67 CA ILE A 6 19.164 -5.924 -0.417 1.00 18.63 C ATOM 68 C ILE A 6 20.177 -6.953 0.064 1.00 19.47 C ATOM 69 O ILE A 6 20.177 -8.095 -0.402 1.00 17.64 O ATOM 70 CB ILE A 6 17.772 -6.459 -0.036 1.00 18.80 C ATOM 71 CG1 ILE A 6 16.678 -5.577 -0.631 1.00 19.28 C ATOM 72 CG2 ILE A 6 17.628 -6.483 1.492 1.00 19.46 C ATOM 73 CD1 ILE A 6 16.683 -4.163 -0.126 1.00 22.54 C ATOM 74 HA ILE A 6 19.305 -4.942 0.034 1.00 0.00 H ATOM 75 HB ILE A 6 17.668 -7.469 -0.433 1.00 0.00 H ATOM 76 HG12 ILE A 6 16.808 -5.554 -1.713 1.00 0.00 H ATOM 77 HG13 ILE A 6 15.712 -6.022 -0.392 1.00 0.00 H ATOM 78 HD11 ILE A 6 16.541 -4.164 0.955 1.00 0.00 H ATOM 79 HD12 ILE A 6 17.638 -3.696 -0.368 1.00 0.00 H ATOM 80 HD13 ILE A 6 15.874 -3.607 -0.600 1.00 0.00 H ATOM 81 HG21 ILE A 6 18.394 -7.131 1.918 1.00 0.00 H ATOM 82 HG22 ILE A 6 17.747 -5.472 1.883 1.00 0.00 H ATOM 83 HG23 ILE A 6 16.641 -6.862 1.757 1.00 0.00 H ATOM 84 H ILE A 6 18.663 -6.295 -2.488 1.00 0.00 H ATOM 85 N VAL A 7 21.034 -6.547 0.999 1.00 19.08 N ATOM 86 CA VAL A 7 22.065 -7.424 1.541 1.00 17.77 C ATOM 87 C VAL A 7 21.574 -8.107 2.818 1.00 17.65 C ATOM 88 O VAL A 7 21.921 -9.255 3.096 1.00 16.72 O ATOM 89 CB VAL A 7 23.351 -6.602 1.848 1.00 20.16 C ATOM 90 CG1 VAL A 7 24.386 -7.470 2.607 1.00 19.36 C ATOM 91 CG2 VAL A 7 23.937 -6.092 0.548 1.00 17.73 C ATOM 92 HA VAL A 7 22.292 -8.190 0.800 1.00 0.00 H ATOM 93 HB VAL A 7 23.093 -5.756 2.485 1.00 0.00 H ATOM 94 HG11 VAL A 7 23.952 -7.812 3.547 1.00 0.00 H ATOM 95 HG12 VAL A 7 24.655 -8.331 1.995 1.00 0.00 H ATOM 96 HG13 VAL A 7 25.277 -6.876 2.811 1.00 0.00 H ATOM 97 HG21 VAL A 7 24.186 -6.938 -0.093 1.00 0.00 H ATOM 98 HG22 VAL A 7 23.207 -5.457 0.046 1.00 0.00 H ATOM 99 HG23 VAL A 7 24.838 -5.516 0.758 1.00 0.00 H ATOM 100 H VAL A 7 20.966 -5.572 1.354 1.00 0.00 H ATOM 101 N LYS A 8 20.762 -7.391 3.581 1.00 15.61 N ATOM 102 CA LYS A 8 20.214 -7.902 4.841 1.00 17.62 C ATOM 103 C LYS A 8 19.032 -7.069 5.319 1.00 15.72 C ATOM 104 O LYS A 8 19.020 -5.835 5.183 1.00 16.54 O ATOM 105 CB LYS A 8 21.292 -7.910 5.943 1.00 13.89 C ATOM 106 CG LYS A 8 20.766 -8.501 7.271 1.00 17.66 C ATOM 107 CD LYS A 8 21.877 -8.985 8.194 1.00 20.26 C ATOM 108 CE LYS A 8 21.294 -9.648 9.446 1.00 21.52 C ATOM 109 NZ LYS A 8 20.506 -10.895 9.164 1.00 24.91 N ATOM 110 HA LYS A 8 19.875 -8.920 4.648 1.00 0.00 H ATOM 111 HB2 LYS A 8 22.137 -8.508 5.603 1.00 0.00 H ATOM 112 HB3 LYS A 8 21.621 -6.886 6.120 1.00 0.00 H ATOM 113 HG2 LYS A 8 20.194 -7.732 7.790 1.00 0.00 H ATOM 114 HG3 LYS A 8 20.114 -9.344 7.041 1.00 0.00 H ATOM 115 HD2 LYS A 8 22.495 -9.708 7.661 1.00 0.00 H ATOM 116 HD3 LYS A 8 22.490 -8.135 8.492 1.00 0.00 H ATOM 117 HE2 LYS A 8 20.638 -8.931 9.940 1.00 0.00 H ATOM 118 HE3 LYS A 8 22.117 -9.905 10.113 1.00 0.00 H ATOM 119 HZ1 LYS A 8 19.709 -10.665 8.537 1.00 0.00 H ATOM 120 HZ2 LYS A 8 21.121 -11.595 8.702 1.00 0.00 H ATOM 121 HZ3 LYS A 8 20.145 -11.285 10.058 1.00 0.00 H ATOM 122 H LYS A 8 20.504 -6.431 3.275 1.00 0.00 H ATOM 123 N GLU A 9 18.043 -7.746 5.896 1.00 16.02 N ATOM 124 CA GLU A 9 16.851 -7.073 6.392 1.00 15.61 C ATOM 125 C GLU A 9 16.263 -7.810 7.580 1.00 12.92 C ATOM 126 O GLU A 9 16.421 -9.013 7.709 1.00 14.27 O ATOM 127 CB GLU A 9 15.796 -6.942 5.282 1.00 18.06 C ATOM 128 CG GLU A 9 15.443 -8.224 4.529 1.00 19.03 C ATOM 129 CD GLU A 9 14.264 -8.013 3.565 1.00 23.11 C ATOM 130 OE1 GLU A 9 13.116 -7.826 4.044 1.00 18.30 O ATOM 131 OE2 GLU A 9 14.486 -8.015 2.325 1.00 23.91 O ATOM 132 HA GLU A 9 17.146 -6.075 6.715 1.00 0.00 H ATOM 133 HB2 GLU A 9 14.881 -6.561 5.736 1.00 0.00 H ATOM 134 HB3 GLU A 9 16.167 -6.220 4.554 1.00 0.00 H ATOM 135 HG2 GLU A 9 16.313 -8.549 3.958 1.00 0.00 H ATOM 136 HG3 GLU A 9 15.175 -8.995 5.251 1.00 0.00 H ATOM 137 H GLU A 9 18.123 -8.778 5.995 1.00 0.00 H ATOM 138 N GLY A 10 15.570 -7.085 8.445 1.00 13.42 N ATOM 139 CA GLY A 10 14.989 -7.718 9.605 1.00 11.68 C ATOM 140 C GLY A 10 14.639 -6.659 10.625 1.00 12.91 C ATOM 141 O GLY A 10 14.883 -5.469 10.400 1.00 14.05 O ATOM 142 HA3 GLY A 10 15.705 -8.418 10.036 1.00 0.00 H ATOM 143 HA2 GLY A 10 14.087 -8.256 9.314 1.00 0.00 H ATOM 144 H GLY A 10 15.445 -6.064 8.289 1.00 0.00 H ATOM 145 N TRP A 11 14.105 -7.100 11.762 1.00 11.53 N ATOM 146 CA TRP A 11 13.666 -6.202 12.825 1.00 12.94 C ATOM 147 C TRP A 11 14.740 -5.903 13.844 1.00 13.30 C ATOM 148 O TRP A 11 15.586 -6.737 14.107 1.00 10.59 O ATOM 149 CB TRP A 11 12.479 -6.802 13.573 1.00 14.72 C ATOM 150 CG TRP A 11 11.205 -6.859 12.772 1.00 15.76 C ATOM 151 CD1 TRP A 11 10.746 -7.914 12.029 1.00 16.53 C ATOM 152 CD2 TRP A 11 10.193 -5.840 12.693 1.00 15.80 C ATOM 153 NE1 TRP A 11 9.511 -7.619 11.505 1.00 15.78 N ATOM 154 CE2 TRP A 11 9.147 -6.355 11.895 1.00 15.59 C ATOM 155 CE3 TRP A 11 10.068 -4.546 13.226 1.00 14.50 C ATOM 156 CZ2 TRP A 11 7.984 -5.624 11.614 1.00 16.00 C ATOM 157 CZ3 TRP A 11 8.908 -3.816 12.951 1.00 16.24 C ATOM 158 CH2 TRP A 11 7.880 -4.361 12.150 1.00 16.26 C ATOM 159 HA TRP A 11 13.397 -5.272 12.324 1.00 0.00 H ATOM 160 HB2 TRP A 11 12.741 -7.817 13.871 1.00 0.00 H ATOM 161 HB3 TRP A 11 12.296 -6.200 14.463 1.00 0.00 H ATOM 162 HE1 TRP A 11 8.942 -8.253 10.908 1.00 0.00 H ATOM 163 HD1 TRP A 11 11.282 -8.851 11.876 1.00 0.00 H ATOM 164 HZ2 TRP A 11 7.191 -6.041 10.993 1.00 0.00 H ATOM 165 HH2 TRP A 11 6.986 -3.769 11.953 1.00 0.00 H ATOM 166 HZ3 TRP A 11 8.795 -2.812 13.360 1.00 0.00 H ATOM 167 HE3 TRP A 11 10.860 -4.120 13.842 1.00 0.00 H ATOM 168 H TRP A 11 13.996 -8.125 11.898 1.00 0.00 H ATOM 169 N LEU A 12 14.678 -4.712 14.421 1.00 13.22 N ATOM 170 CA LEU A 12 15.625 -4.316 15.433 1.00 15.12 C ATOM 171 C LEU A 12 15.007 -3.135 16.180 1.00 15.95 C ATOM 172 O LEU A 12 13.941 -2.632 15.783 1.00 16.69 O ATOM 173 CB LEU A 12 16.963 -3.941 14.774 1.00 17.29 C ATOM 174 CG LEU A 12 17.049 -2.839 13.710 1.00 18.52 C ATOM 175 CD1 LEU A 12 16.602 -1.512 14.329 1.00 18.97 C ATOM 176 CD2 LEU A 12 18.469 -2.726 13.151 1.00 18.62 C ATOM 177 HA LEU A 12 15.834 -5.125 16.133 1.00 0.00 H ATOM 178 HB2 LEU A 12 17.631 -3.643 15.582 1.00 0.00 H ATOM 179 HB3 LEU A 12 17.342 -4.850 14.307 1.00 0.00 H ATOM 180 HG LEU A 12 16.391 -3.091 12.879 1.00 0.00 H ATOM 181 HD21 LEU A 12 19.159 -2.486 13.960 1.00 0.00 H ATOM 182 HD22 LEU A 12 18.756 -3.674 12.697 1.00 0.00 H ATOM 183 HD23 LEU A 12 18.500 -1.937 12.399 1.00 0.00 H ATOM 184 HD11 LEU A 12 15.575 -1.605 14.681 1.00 0.00 H ATOM 185 HD12 LEU A 12 17.254 -1.266 15.167 1.00 0.00 H ATOM 186 HD13 LEU A 12 16.661 -0.724 13.578 1.00 0.00 H ATOM 187 H LEU A 12 13.929 -4.048 14.137 1.00 0.00 H ATOM 188 N HIS A 13 15.621 -2.729 17.288 1.00 11.06 N ATOM 189 CA HIS A 13 15.132 -1.573 18.032 1.00 12.44 C ATOM 190 C HIS A 13 16.113 -0.456 17.866 1.00 12.07 C ATOM 191 O HIS A 13 17.318 -0.671 17.934 1.00 12.99 O ATOM 192 CB HIS A 13 14.956 -1.876 19.520 1.00 13.45 C ATOM 193 CG HIS A 13 13.782 -2.753 19.792 1.00 17.21 C ATOM 194 ND1 HIS A 13 12.487 -2.339 19.554 1.00 20.56 N ATOM 195 CD2 HIS A 13 13.709 -4.062 20.130 1.00 15.92 C ATOM 196 CE1 HIS A 13 11.669 -3.363 19.723 1.00 21.26 C ATOM 197 NE2 HIS A 13 12.386 -4.419 20.076 1.00 20.83 N ATOM 198 HA HIS A 13 14.153 -1.301 17.638 1.00 0.00 H ATOM 199 HB2 HIS A 13 15.855 -2.373 19.884 1.00 0.00 H ATOM 200 HB3 HIS A 13 14.821 -0.936 20.054 1.00 0.00 H ATOM 201 HD2 HIS A 13 14.544 -4.710 20.395 1.00 0.00 H ATOM 202 HE1 HIS A 13 10.587 -3.342 19.594 1.00 0.00 H ATOM 203 H HIS A 13 16.460 -3.242 17.628 1.00 0.00 H ATOM 204 N LYS A 14 15.591 0.731 17.594 1.00 10.14 N ATOM 205 CA LYS A 14 16.424 1.902 17.420 1.00 11.42 C ATOM 206 C LYS A 14 16.298 2.714 18.700 1.00 12.71 C ATOM 207 O LYS A 14 15.203 3.005 19.162 1.00 11.37 O ATOM 208 CB LYS A 14 15.957 2.722 16.205 1.00 11.37 C ATOM 209 CG LYS A 14 16.651 4.079 16.041 1.00 15.15 C ATOM 210 CD LYS A 14 16.338 4.715 14.686 1.00 18.00 C ATOM 211 CE LYS A 14 17.056 6.072 14.487 1.00 17.81 C ATOM 212 NZ LYS A 14 16.416 7.210 15.227 1.00 12.21 N ATOM 213 HA LYS A 14 17.461 1.624 17.235 1.00 0.00 H ATOM 214 HB2 LYS A 14 16.144 2.134 15.306 1.00 0.00 H ATOM 215 HB3 LYS A 14 14.886 2.898 16.306 1.00 0.00 H ATOM 216 HG2 LYS A 14 16.311 4.748 16.832 1.00 0.00 H ATOM 217 HG3 LYS A 14 17.729 3.937 16.124 1.00 0.00 H ATOM 218 HD2 LYS A 14 16.655 4.032 13.898 1.00 0.00 H ATOM 219 HD3 LYS A 14 15.262 4.875 14.615 1.00 0.00 H ATOM 220 HE2 LYS A 14 17.054 6.309 13.423 1.00 0.00 H ATOM 221 HE3 LYS A 14 18.084 5.971 14.834 1.00 0.00 H ATOM 222 HZ1 LYS A 14 15.436 7.328 14.899 1.00 0.00 H ATOM 223 HZ2 LYS A 14 16.420 7.005 16.247 1.00 0.00 H ATOM 224 HZ3 LYS A 14 16.950 8.084 15.046 1.00 0.00 H ATOM 225 H LYS A 14 14.559 0.824 17.503 1.00 0.00 H ATOM 226 N ARG A 15 17.435 3.094 19.263 1.00 14.38 N ATOM 227 CA ARG A 15 17.441 3.865 20.503 1.00 16.57 C ATOM 228 C ARG A 15 17.122 5.353 20.389 1.00 15.94 C ATOM 229 O ARG A 15 17.530 6.031 19.437 1.00 14.79 O ATOM 230 CB ARG A 15 18.804 3.705 21.170 1.00 19.88 C ATOM 231 CG ARG A 15 18.931 4.316 22.539 1.00 25.00 C ATOM 232 CD ARG A 15 17.836 3.843 23.448 1.00 30.89 C ATOM 233 NE ARG A 15 18.254 3.825 24.850 1.00 36.05 N ATOM 234 CZ ARG A 15 17.415 3.943 25.874 1.00 38.29 C ATOM 235 NH1 ARG A 15 16.120 4.106 25.646 1.00 39.85 N ATOM 236 NH2 ARG A 15 17.863 3.868 27.123 1.00 40.47 N ATOM 237 HA ARG A 15 16.621 3.452 21.090 1.00 0.00 H ATOM 238 HB2 ARG A 15 19.012 2.639 21.257 1.00 0.00 H ATOM 239 HB3 ARG A 15 19.550 4.168 20.525 1.00 0.00 H ATOM 240 HG2 ARG A 15 19.894 4.035 22.966 1.00 0.00 H ATOM 241 HG3 ARG A 15 18.876 5.401 22.451 1.00 0.00 H ATOM 242 HD2 ARG A 15 17.546 2.834 23.154 1.00 0.00 H ATOM 243 HD3 ARG A 15 16.980 4.510 23.345 1.00 0.00 H ATOM 244 HE ARG A 15 19.267 3.713 25.057 1.00 0.00 H ATOM 245 HH12 ARG A 15 15.459 4.199 26.444 1.00 0.00 H ATOM 246 HH11 ARG A 15 15.764 4.141 24.669 1.00 0.00 H ATOM 247 HH22 ARG A 15 17.201 3.961 27.919 1.00 0.00 H ATOM 248 HH21 ARG A 15 18.876 3.716 27.304 1.00 0.00 H ATOM 249 H ARG A 15 18.338 2.839 18.815 1.00 0.00 H ATOM 250 N GLY A 16 16.403 5.869 21.385 1.00 15.97 N ATOM 251 CA GLY A 16 16.097 7.287 21.411 1.00 15.80 C ATOM 252 C GLY A 16 17.406 8.028 21.616 1.00 16.86 C ATOM 253 O GLY A 16 18.349 7.494 22.201 1.00 13.30 O ATOM 254 HA3 GLY A 16 15.412 7.506 22.230 1.00 0.00 H ATOM 255 HA2 GLY A 16 15.642 7.588 20.468 1.00 0.00 H ATOM 256 H GLY A 16 16.059 5.252 22.148 1.00 0.00 H ATOM 257 N GLU A 17 17.483 9.254 21.118 1.00 17.94 N ATOM 258 CA GLU A 17 18.691 10.053 21.264 1.00 20.06 C ATOM 259 C GLU A 17 18.607 10.893 22.542 1.00 21.14 C ATOM 260 O GLU A 17 19.448 10.767 23.444 1.00 19.23 O ATOM 261 CB GLU A 17 18.871 10.964 20.050 1.00 20.06 C ATOM 262 HA GLU A 17 19.550 9.386 21.331 1.00 0.00 H ATOM 263 HB2 GLU A 17 18.952 10.355 19.149 1.00 0.00 H ATOM 264 HB3 GLU A 17 18.011 11.628 19.965 1.00 0.00 H ATOM 265 H GLU A 17 16.665 9.652 20.614 1.00 0.00 H ATOM 266 N TYR A 18 17.587 11.734 22.623 1.00 20.98 N ATOM 267 CA TYR A 18 17.409 12.594 23.787 1.00 23.85 C ATOM 268 C TYR A 18 16.302 12.140 24.716 1.00 25.05 C ATOM 269 O TYR A 18 16.116 12.717 25.788 1.00 25.65 O ATOM 270 CB TYR A 18 17.132 14.033 23.350 1.00 26.42 C ATOM 271 CG TYR A 18 18.370 14.768 22.916 1.00 29.61 C ATOM 272 CD1 TYR A 18 19.293 15.223 23.858 1.00 30.64 C ATOM 273 CD2 TYR A 18 18.631 15.001 21.563 1.00 30.86 C ATOM 274 CE1 TYR A 18 20.442 15.897 23.467 1.00 33.29 C ATOM 275 CE2 TYR A 18 19.778 15.669 21.161 1.00 32.48 C ATOM 276 CZ TYR A 18 20.677 16.115 22.119 1.00 34.34 C ATOM 277 OH TYR A 18 21.810 16.785 21.735 1.00 37.91 O ATOM 278 HA TYR A 18 18.344 12.533 24.344 1.00 0.00 H ATOM 279 HB3 TYR A 18 16.685 14.570 24.187 1.00 0.00 H ATOM 280 HB2 TYR A 18 16.430 14.013 22.516 1.00 0.00 H ATOM 281 HD2 TYR A 18 17.922 14.652 20.812 1.00 0.00 H ATOM 282 HE2 TYR A 18 19.971 15.842 20.102 1.00 0.00 H ATOM 283 HE1 TYR A 18 21.153 16.251 24.214 1.00 0.00 H ATOM 284 HD1 TYR A 18 19.109 15.047 24.918 1.00 0.00 H ATOM 285 HH TYR A 18 22.336 17.029 22.538 1.00 0.00 H ATOM 286 H TYR A 18 16.901 11.782 21.843 1.00 0.00 H ATOM 287 N ILE A 19 15.564 11.122 24.296 1.00 23.80 N ATOM 288 CA ILE A 19 14.471 10.578 25.079 1.00 25.54 C ATOM 289 C ILE A 19 14.863 9.120 25.309 1.00 25.12 C ATOM 290 O ILE A 19 15.432 8.489 24.418 1.00 24.94 O ATOM 291 CB ILE A 19 13.127 10.678 24.262 1.00 27.38 C ATOM 292 CG1 ILE A 19 11.964 11.018 25.183 1.00 28.58 C ATOM 293 CG2 ILE A 19 12.867 9.409 23.495 1.00 27.88 C ATOM 294 CD1 ILE A 19 11.836 12.486 25.417 1.00 28.96 C ATOM 295 HA ILE A 19 14.308 11.111 26.016 1.00 0.00 H ATOM 296 HB ILE A 19 13.226 11.485 23.536 1.00 0.00 H ATOM 297 HG12 ILE A 19 11.041 10.653 24.732 1.00 0.00 H ATOM 298 HG13 ILE A 19 12.119 10.522 26.141 1.00 0.00 H ATOM 299 HD11 ILE A 19 12.751 12.861 25.876 1.00 0.00 H ATOM 300 HD12 ILE A 19 11.672 12.991 24.465 1.00 0.00 H ATOM 301 HD13 ILE A 19 10.992 12.675 26.080 1.00 0.00 H ATOM 302 HG21 ILE A 19 13.687 9.232 22.800 1.00 0.00 H ATOM 303 HG22 ILE A 19 12.792 8.574 24.191 1.00 0.00 H ATOM 304 HG23 ILE A 19 11.934 9.506 22.941 1.00 0.00 H ATOM 305 H ILE A 19 15.777 10.698 23.371 1.00 0.00 H ATOM 306 N LYS A 20 14.604 8.586 26.498 1.00 24.14 N ATOM 307 CA LYS A 20 14.960 7.200 26.740 1.00 23.51 C ATOM 308 C LYS A 20 13.821 6.324 26.265 1.00 23.12 C ATOM 309 O LYS A 20 12.748 6.274 26.879 1.00 22.01 O ATOM 310 CB LYS A 20 15.267 6.950 28.219 1.00 25.11 C ATOM 311 CG LYS A 20 16.672 7.417 28.604 1.00 27.79 C ATOM 312 CD LYS A 20 16.966 7.221 30.074 1.00 30.46 C ATOM 313 CE LYS A 20 18.423 7.506 30.356 1.00 31.87 C ATOM 314 NZ LYS A 20 18.826 8.804 29.789 1.00 34.60 N ATOM 315 HA LYS A 20 15.868 6.958 26.187 1.00 0.00 H ATOM 316 HB2 LYS A 20 14.539 7.489 28.825 1.00 0.00 H ATOM 317 HB3 LYS A 20 15.185 5.882 28.419 1.00 0.00 H ATOM 318 HG2 LYS A 20 17.400 6.851 28.023 1.00 0.00 H ATOM 319 HG3 LYS A 20 16.765 8.477 28.367 1.00 0.00 H ATOM 320 HD2 LYS A 20 16.346 7.900 30.659 1.00 0.00 H ATOM 321 HD3 LYS A 20 16.739 6.192 30.353 1.00 0.00 H ATOM 322 HE2 LYS A 20 19.033 6.718 29.913 1.00 0.00 H ATOM 323 HE3 LYS A 20 18.581 7.523 31.434 1.00 0.00 H ATOM 324 HZ1 LYS A 20 18.681 8.791 28.759 1.00 0.00 H ATOM 325 HZ2 LYS A 20 18.250 9.560 30.212 1.00 0.00 H ATOM 326 HZ3 LYS A 20 19.831 8.975 29.997 1.00 0.00 H ATOM 327 H LYS A 20 14.153 9.153 27.244 1.00 0.00 H ATOM 328 N THR A 21 14.064 5.635 25.155 1.00 22.04 N ATOM 329 CA THR A 21 13.055 4.770 24.563 1.00 20.17 C ATOM 330 C THR A 21 13.706 3.967 23.436 1.00 17.99 C ATOM 331 O THR A 21 14.795 4.315 22.961 1.00 16.51 O ATOM 332 CB THR A 21 11.884 5.604 23.968 1.00 20.99 C ATOM 333 OG1 THR A 21 10.797 4.734 23.628 1.00 23.62 O ATOM 334 CG2 THR A 21 12.321 6.321 22.698 1.00 20.21 C ATOM 335 HA THR A 21 12.657 4.113 25.336 1.00 0.00 H ATOM 336 HB THR A 21 11.578 6.335 24.717 1.00 0.00 H ATOM 337 HG1 THR A 21 10.054 5.268 23.250 1.00 0.00 H ATOM 338 HG23 THR A 21 13.149 6.992 22.927 1.00 0.00 H ATOM 339 HG21 THR A 21 12.641 5.586 21.959 1.00 0.00 H ATOM 340 HG22 THR A 21 11.485 6.897 22.301 1.00 0.00 H ATOM 341 H THR A 21 14.996 5.716 24.700 1.00 0.00 H ATOM 342 N TRP A 22 13.036 2.886 23.041 1.00 14.88 N ATOM 343 CA TRP A 22 13.488 2.019 21.958 1.00 14.80 C ATOM 344 C TRP A 22 12.337 1.963 20.979 1.00 16.14 C ATOM 345 O TRP A 22 11.227 1.562 21.352 1.00 16.07 O ATOM 346 CB TRP A 22 13.755 0.606 22.451 1.00 16.98 C ATOM 347 CG TRP A 22 14.993 0.477 23.270 1.00 18.70 C ATOM 348 CD1 TRP A 22 15.075 0.381 24.627 1.00 17.83 C ATOM 349 CD2 TRP A 22 16.334 0.419 22.774 1.00 18.59 C ATOM 350 NE1 TRP A 22 16.400 0.262 25.011 1.00 22.02 N ATOM 351 CE2 TRP A 22 17.191 0.284 23.890 1.00 19.14 C ATOM 352 CE3 TRP A 22 16.896 0.460 21.491 1.00 20.26 C ATOM 353 CZ2 TRP A 22 18.586 0.190 23.762 1.00 18.02 C ATOM 354 CZ3 TRP A 22 18.284 0.361 21.362 1.00 19.70 C ATOM 355 CH2 TRP A 22 19.111 0.227 22.497 1.00 19.16 C ATOM 356 HA TRP A 22 14.412 2.403 21.526 1.00 0.00 H ATOM 357 HB2 TRP A 22 12.907 0.288 23.057 1.00 0.00 H ATOM 358 HB3 TRP A 22 13.846 -0.049 21.584 1.00 0.00 H ATOM 359 HE1 TRP A 22 16.740 0.171 25.990 1.00 0.00 H ATOM 360 HD1 TRP A 22 14.224 0.396 25.308 1.00 0.00 H ATOM 361 HZ2 TRP A 22 19.228 0.091 24.637 1.00 0.00 H ATOM 362 HH2 TRP A 22 20.190 0.151 22.365 1.00 0.00 H ATOM 363 HZ3 TRP A 22 18.734 0.388 20.370 1.00 0.00 H ATOM 364 HE3 TRP A 22 16.263 0.567 20.610 1.00 0.00 H ATOM 365 H TRP A 22 12.148 2.648 23.528 1.00 0.00 H ATOM 366 N ARG A 23 12.584 2.353 19.733 1.00 13.64 N ATOM 367 CA ARG A 23 11.525 2.335 18.726 1.00 14.86 C ATOM 368 C ARG A 23 11.661 1.104 17.845 1.00 15.39 C ATOM 369 O ARG A 23 12.761 0.816 17.352 1.00 15.05 O ATOM 370 CB ARG A 23 11.622 3.588 17.845 1.00 15.88 C ATOM 371 CG ARG A 23 11.381 4.871 18.614 1.00 14.48 C ATOM 372 CD ARG A 23 11.414 6.125 17.754 1.00 14.46 C ATOM 373 NE ARG A 23 11.194 7.264 18.640 1.00 15.85 N ATOM 374 CZ ARG A 23 12.162 8.072 19.047 1.00 16.99 C ATOM 375 NH1 ARG A 23 13.399 7.874 18.621 1.00 15.39 N ATOM 376 NH2 ARG A 23 11.902 9.045 19.905 1.00 17.44 N ATOM 377 HA ARG A 23 10.562 2.314 19.236 1.00 0.00 H ATOM 378 HB2 ARG A 23 12.619 3.628 17.405 1.00 0.00 H ATOM 379 HB3 ARG A 23 10.879 3.513 17.051 1.00 0.00 H ATOM 380 HG2 ARG A 23 10.402 4.807 19.089 1.00 0.00 H ATOM 381 HG3 ARG A 23 12.151 4.961 19.381 1.00 0.00 H ATOM 382 HD2 ARG A 23 10.628 6.081 17.000 1.00 0.00 H ATOM 383 HD3 ARG A 23 12.383 6.216 17.263 1.00 0.00 H ATOM 384 HE ARG A 23 10.226 7.451 18.969 1.00 0.00 H ATOM 385 HH12 ARG A 23 14.164 8.504 18.936 1.00 0.00 H ATOM 386 HH11 ARG A 23 13.606 7.089 17.971 1.00 0.00 H ATOM 387 HH22 ARG A 23 12.665 9.677 20.222 1.00 0.00 H ATOM 388 HH21 ARG A 23 10.935 9.178 20.263 1.00 0.00 H ATOM 389 H ARG A 23 13.538 2.674 19.472 1.00 0.00 H ATOM 390 N PRO A 24 10.564 0.337 17.662 1.00 13.78 N ATOM 391 CA PRO A 24 10.681 -0.844 16.801 1.00 13.66 C ATOM 392 C PRO A 24 10.825 -0.383 15.355 1.00 14.08 C ATOM 393 O PRO A 24 10.170 0.567 14.942 1.00 12.42 O ATOM 394 CB PRO A 24 9.368 -1.598 17.046 1.00 12.96 C ATOM 395 CG PRO A 24 8.368 -0.490 17.361 1.00 14.26 C ATOM 396 CD PRO A 24 9.211 0.451 18.252 1.00 14.42 C ATOM 397 HA PRO A 24 11.544 -1.476 17.008 1.00 0.00 H ATOM 398 HD3 PRO A 24 8.844 1.476 18.198 1.00 0.00 H ATOM 399 HD2 PRO A 24 9.206 0.118 19.290 1.00 0.00 H ATOM 400 HG3 PRO A 24 7.502 -0.877 17.899 1.00 0.00 H ATOM 401 HG2 PRO A 24 8.035 0.014 16.454 1.00 0.00 H ATOM 402 HB2 PRO A 24 9.067 -2.153 16.158 1.00 0.00 H ATOM 403 HB3 PRO A 24 9.465 -2.285 17.887 1.00 0.00 H ATOM 404 N ARG A 25 11.674 -1.062 14.587 1.00 13.83 N ATOM 405 CA ARG A 25 11.898 -0.696 13.206 1.00 15.32 C ATOM 406 C ARG A 25 12.289 -1.905 12.373 1.00 16.14 C ATOM 407 O ARG A 25 12.918 -2.836 12.887 1.00 16.45 O ATOM 408 CB ARG A 25 13.046 0.313 13.098 1.00 15.62 C ATOM 409 CG ARG A 25 12.754 1.695 13.583 1.00 14.95 C ATOM 410 CD ARG A 25 11.962 2.443 12.533 1.00 17.14 C ATOM 411 NE ARG A 25 11.781 3.835 12.898 1.00 15.40 N ATOM 412 CZ ARG A 25 10.998 4.259 13.874 1.00 15.31 C ATOM 413 NH1 ARG A 25 10.320 3.389 14.604 1.00 16.71 N ATOM 414 NH2 ARG A 25 10.865 5.561 14.093 1.00 13.97 N ATOM 415 HA ARG A 25 10.965 -0.269 12.838 1.00 0.00 H ATOM 416 HB2 ARG A 25 13.885 -0.073 13.677 1.00 0.00 H ATOM 417 HB3 ARG A 25 13.332 0.382 12.048 1.00 0.00 H ATOM 418 HG2 ARG A 25 12.175 1.642 14.505 1.00 0.00 H ATOM 419 HG3 ARG A 25 13.691 2.219 13.773 1.00 0.00 H ATOM 420 HD2 ARG A 25 10.984 1.974 12.426 1.00 0.00 H ATOM 421 HD3 ARG A 25 12.494 2.392 11.583 1.00 0.00 H ATOM 422 HE ARG A 25 12.304 4.550 12.353 1.00 0.00 H ATOM 423 HH12 ARG A 25 9.704 3.723 15.372 1.00 0.00 H ATOM 424 HH11 ARG A 25 10.403 2.371 14.410 1.00 0.00 H ATOM 425 HH22 ARG A 25 10.250 5.899 14.860 1.00 0.00 H ATOM 426 HH21 ARG A 25 11.376 6.243 13.497 1.00 0.00 H ATOM 427 H ARG A 25 12.187 -1.873 14.988 1.00 0.00 H ATOM 428 N TYR A 26 11.926 -1.883 11.091 1.00 13.09 N ATOM 429 CA TYR A 26 12.317 -2.948 10.176 1.00 12.41 C ATOM 430 C TYR A 26 13.341 -2.268 9.258 1.00 12.56 C ATOM 431 O TYR A 26 13.039 -1.271 8.610 1.00 12.20 O ATOM 432 CB TYR A 26 11.107 -3.461 9.391 1.00 11.64 C ATOM 433 CG TYR A 26 11.431 -4.663 8.533 1.00 12.34 C ATOM 434 CD1 TYR A 26 12.010 -4.512 7.271 1.00 14.23 C ATOM 435 CD2 TYR A 26 11.216 -5.947 9.002 1.00 13.23 C ATOM 436 CE1 TYR A 26 12.358 -5.598 6.518 1.00 14.26 C ATOM 437 CE2 TYR A 26 11.574 -7.051 8.256 1.00 13.10 C ATOM 438 CZ TYR A 26 12.143 -6.868 7.022 1.00 15.79 C ATOM 439 OH TYR A 26 12.544 -7.951 6.304 1.00 17.16 O ATOM 440 HA TYR A 26 12.725 -3.824 10.681 1.00 0.00 H ATOM 441 HB3 TYR A 26 10.745 -2.660 8.746 1.00 0.00 H ATOM 442 HB2 TYR A 26 10.325 -3.738 10.098 1.00 0.00 H ATOM 443 HD2 TYR A 26 10.755 -6.089 9.979 1.00 0.00 H ATOM 444 HE2 TYR A 26 11.407 -8.056 8.643 1.00 0.00 H ATOM 445 HE1 TYR A 26 12.800 -5.465 5.531 1.00 0.00 H ATOM 446 HD1 TYR A 26 12.187 -3.510 6.880 1.00 0.00 H ATOM 447 HH TYR A 26 12.931 -7.650 5.444 1.00 0.00 H ATOM 448 H TYR A 26 11.353 -1.091 10.737 1.00 0.00 H ATOM 449 N PHE A 27 14.564 -2.796 9.227 1.00 12.56 N ATOM 450 CA PHE A 27 15.614 -2.179 8.444 1.00 11.19 C ATOM 451 C PHE A 27 16.070 -3.011 7.262 1.00 9.67 C ATOM 452 O PHE A 27 16.052 -4.234 7.307 1.00 12.32 O ATOM 453 CB PHE A 27 16.827 -1.872 9.342 1.00 11.65 C ATOM 454 CG PHE A 27 16.818 -0.483 9.919 1.00 9.66 C ATOM 455 CD1 PHE A 27 16.111 -0.196 11.076 1.00 10.08 C ATOM 456 CD2 PHE A 27 17.528 0.541 9.296 1.00 11.62 C ATOM 457 CE1 PHE A 27 16.119 1.107 11.612 1.00 10.94 C ATOM 458 CE2 PHE A 27 17.542 1.847 9.824 1.00 10.88 C ATOM 459 CZ PHE A 27 16.844 2.124 10.973 1.00 9.41 C ATOM 460 HA PHE A 27 15.185 -1.263 8.038 1.00 0.00 H ATOM 461 HB2 PHE A 27 16.835 -2.587 10.165 1.00 0.00 H ATOM 462 HB3 PHE A 27 17.734 -1.992 8.749 1.00 0.00 H ATOM 463 HD2 PHE A 27 18.083 0.328 8.383 1.00 0.00 H ATOM 464 HE2 PHE A 27 18.105 2.634 9.322 1.00 0.00 H ATOM 465 HZ PHE A 27 16.853 3.132 11.388 1.00 0.00 H ATOM 466 HE1 PHE A 27 15.562 1.325 12.523 1.00 0.00 H ATOM 467 HD1 PHE A 27 15.545 -0.983 11.574 1.00 0.00 H ATOM 468 H PHE A 27 14.766 -3.659 9.770 1.00 0.00 H ATOM 469 N LEU A 28 16.470 -2.328 6.194 1.00 12.67 N ATOM 470 CA LEU A 28 16.988 -2.999 5.007 1.00 13.46 C ATOM 471 C LEU A 28 18.345 -2.369 4.764 1.00 13.62 C ATOM 472 O LEU A 28 18.486 -1.154 4.853 1.00 15.19 O ATOM 473 CB LEU A 28 16.133 -2.749 3.754 1.00 15.48 C ATOM 474 CG LEU A 28 14.657 -3.104 3.597 1.00 14.82 C ATOM 475 CD1 LEU A 28 14.532 -4.558 3.318 1.00 20.50 C ATOM 476 CD2 LEU A 28 13.852 -2.688 4.776 1.00 16.51 C ATOM 477 HA LEU A 28 17.005 -4.076 5.175 1.00 0.00 H ATOM 478 HB2 LEU A 28 16.191 -1.675 3.576 1.00 0.00 H ATOM 479 HB3 LEU A 28 16.643 -3.277 2.948 1.00 0.00 H ATOM 480 HG LEU A 28 14.250 -2.548 2.753 1.00 0.00 H ATOM 481 HD21 LEU A 28 14.229 -3.190 5.667 1.00 0.00 H ATOM 482 HD22 LEU A 28 13.930 -1.608 4.905 1.00 0.00 H ATOM 483 HD23 LEU A 28 12.809 -2.962 4.617 1.00 0.00 H ATOM 484 HD11 LEU A 28 15.067 -4.798 2.399 1.00 0.00 H ATOM 485 HD12 LEU A 28 14.959 -5.124 4.146 1.00 0.00 H ATOM 486 HD13 LEU A 28 13.479 -4.816 3.205 1.00 0.00 H ATOM 487 H LEU A 28 16.412 -1.290 6.205 1.00 0.00 H ATOM 488 N LEU A 29 19.344 -3.195 4.485 1.00 12.71 N ATOM 489 CA LEU A 29 20.676 -2.716 4.172 1.00 11.17 C ATOM 490 C LEU A 29 20.888 -3.015 2.690 1.00 11.12 C ATOM 491 O LEU A 29 20.757 -4.147 2.271 1.00 11.58 O ATOM 492 CB LEU A 29 21.731 -3.466 4.976 1.00 11.64 C ATOM 493 CG LEU A 29 23.186 -3.145 4.623 1.00 13.03 C ATOM 494 CD1 LEU A 29 23.574 -1.747 5.096 1.00 14.17 C ATOM 495 CD2 LEU A 29 24.074 -4.203 5.269 1.00 14.92 C ATOM 496 HA LEU A 29 20.767 -1.656 4.409 1.00 0.00 H ATOM 497 HB2 LEU A 29 21.581 -3.229 6.029 1.00 0.00 H ATOM 498 HB3 LEU A 29 21.576 -4.533 4.820 1.00 0.00 H ATOM 499 HG LEU A 29 23.314 -3.159 3.541 1.00 0.00 H ATOM 500 HD21 LEU A 29 23.935 -4.181 6.350 1.00 0.00 H ATOM 501 HD22 LEU A 29 23.802 -5.187 4.886 1.00 0.00 H ATOM 502 HD23 LEU A 29 25.117 -3.995 5.031 1.00 0.00 H ATOM 503 HD11 LEU A 29 22.929 -1.011 4.617 1.00 0.00 H ATOM 504 HD12 LEU A 29 23.457 -1.685 6.178 1.00 0.00 H ATOM 505 HD13 LEU A 29 24.613 -1.550 4.830 1.00 0.00 H ATOM 506 H LEU A 29 19.166 -4.220 4.491 1.00 0.00 H ATOM 507 N LYS A 30 21.199 -1.993 1.906 1.00 14.12 N ATOM 508 CA LYS A 30 21.426 -2.172 0.471 1.00 15.61 C ATOM 509 C LYS A 30 22.905 -2.148 0.128 1.00 16.27 C ATOM 510 O LYS A 30 23.713 -1.572 0.855 1.00 16.82 O ATOM 511 CB LYS A 30 20.671 -1.094 -0.299 1.00 17.69 C ATOM 512 CG LYS A 30 19.152 -1.250 -0.126 1.00 21.47 C ATOM 513 CD LYS A 30 18.379 -0.006 -0.532 1.00 25.15 C ATOM 514 CE LYS A 30 18.554 0.271 -1.990 1.00 26.72 C ATOM 515 NZ LYS A 30 17.872 1.533 -2.383 1.00 30.14 N ATOM 516 HA LYS A 30 21.050 -3.153 0.181 1.00 0.00 H ATOM 517 HB2 LYS A 30 20.973 -0.114 0.071 1.00 0.00 H ATOM 518 HB3 LYS A 30 20.919 -1.173 -1.358 1.00 0.00 H ATOM 519 HG2 LYS A 30 18.816 -2.085 -0.741 1.00 0.00 H ATOM 520 HG3 LYS A 30 18.941 -1.464 0.922 1.00 0.00 H ATOM 521 HD2 LYS A 30 17.320 -0.157 -0.321 1.00 0.00 H ATOM 522 HD3 LYS A 30 18.745 0.846 0.041 1.00 0.00 H ATOM 523 HE2 LYS A 30 18.132 -0.555 -2.562 1.00 0.00 H ATOM 524 HE3 LYS A 30 19.618 0.358 -2.211 1.00 0.00 H ATOM 525 HZ1 LYS A 30 16.855 1.454 -2.179 1.00 0.00 H ATOM 526 HZ2 LYS A 30 18.274 2.326 -1.843 1.00 0.00 H ATOM 527 HZ3 LYS A 30 18.011 1.699 -3.400 1.00 0.00 H ATOM 528 H LYS A 30 21.284 -1.042 2.319 1.00 0.00 H ATOM 529 N ASN A 31 23.264 -2.761 -0.996 1.00 16.25 N ATOM 530 CA ASN A 31 24.658 -2.844 -1.395 1.00 19.81 C ATOM 531 C ASN A 31 25.372 -1.528 -1.666 1.00 18.29 C ATOM 532 O ASN A 31 26.585 -1.513 -1.763 1.00 19.36 O ATOM 533 CB ASN A 31 24.794 -3.755 -2.614 1.00 24.96 C ATOM 534 CG ASN A 31 25.776 -4.863 -2.387 1.00 31.02 C ATOM 535 OD1 ASN A 31 26.876 -4.632 -1.868 1.00 34.91 O ATOM 536 ND2 ASN A 31 25.403 -6.085 -2.785 1.00 34.54 N ATOM 537 HA ASN A 31 25.160 -3.252 -0.518 1.00 0.00 H ATOM 538 HB2 ASN A 31 23.820 -4.190 -2.838 1.00 0.00 H ATOM 539 HB3 ASN A 31 25.128 -3.158 -3.463 1.00 0.00 H ATOM 540 HD22 ASN A 31 24.468 -6.229 -3.216 1.00 0.00 H ATOM 541 HD21 ASN A 31 26.049 -6.891 -2.663 1.00 0.00 H ATOM 542 H ASN A 31 22.534 -3.189 -1.600 1.00 0.00 H ATOM 543 N ASP A 32 24.638 -0.430 -1.795 1.00 18.95 N ATOM 544 CA ASP A 32 25.285 0.859 -2.033 1.00 17.52 C ATOM 545 C ASP A 32 25.472 1.609 -0.720 1.00 16.63 C ATOM 546 O ASP A 32 25.674 2.823 -0.714 1.00 13.86 O ATOM 547 CB ASP A 32 24.470 1.717 -3.021 1.00 19.45 C ATOM 548 CG ASP A 32 23.107 2.135 -2.467 1.00 24.15 C ATOM 549 OD1 ASP A 32 22.745 1.749 -1.330 1.00 22.18 O ATOM 550 OD2 ASP A 32 22.383 2.859 -3.183 1.00 26.39 O ATOM 551 HA ASP A 32 26.263 0.667 -2.475 1.00 0.00 H ATOM 552 HB2 ASP A 32 25.041 2.616 -3.254 1.00 0.00 H ATOM 553 HB3 ASP A 32 24.313 1.142 -3.933 1.00 0.00 H ATOM 554 H ASP A 32 23.602 -0.487 -1.727 1.00 0.00 H ATOM 555 N GLY A 33 25.375 0.877 0.390 1.00 17.58 N ATOM 556 CA GLY A 33 25.563 1.466 1.710 1.00 17.74 C ATOM 557 C GLY A 33 24.346 2.094 2.372 1.00 18.99 C ATOM 558 O GLY A 33 24.444 2.628 3.480 1.00 17.79 O ATOM 559 HA3 GLY A 33 26.323 2.242 1.618 1.00 0.00 H ATOM 560 HA2 GLY A 33 25.927 0.680 2.371 1.00 0.00 H ATOM 561 H GLY A 33 25.160 -0.138 0.312 1.00 0.00 H ATOM 562 N THR A 34 23.197 2.038 1.709 1.00 16.78 N ATOM 563 CA THR A 34 21.986 2.633 2.264 1.00 17.24 C ATOM 564 C THR A 34 21.413 1.721 3.326 1.00 15.76 C ATOM 565 O THR A 34 21.284 0.524 3.103 1.00 16.42 O ATOM 566 CB THR A 34 20.934 2.858 1.151 1.00 19.71 C ATOM 567 OG1 THR A 34 21.371 3.946 0.328 1.00 20.82 O ATOM 568 CG2 THR A 34 19.546 3.175 1.746 1.00 19.51 C ATOM 569 HA THR A 34 22.240 3.596 2.706 1.00 0.00 H ATOM 570 HB THR A 34 20.839 1.946 0.561 1.00 0.00 H ATOM 571 HG1 THR A 34 21.459 4.762 0.881 1.00 0.00 H ATOM 572 HG23 THR A 34 19.221 2.343 2.370 1.00 0.00 H ATOM 573 HG21 THR A 34 19.609 4.081 2.349 1.00 0.00 H ATOM 574 HG22 THR A 34 18.831 3.325 0.937 1.00 0.00 H ATOM 575 H THR A 34 23.160 1.565 0.784 1.00 0.00 H ATOM 576 N PHE A 35 21.072 2.300 4.476 1.00 15.06 N ATOM 577 CA PHE A 35 20.523 1.569 5.612 1.00 13.72 C ATOM 578 C PHE A 35 19.225 2.306 5.956 1.00 14.61 C ATOM 579 O PHE A 35 19.262 3.382 6.553 1.00 11.89 O ATOM 580 CB PHE A 35 21.532 1.649 6.767 1.00 15.31 C ATOM 581 CG PHE A 35 21.201 0.786 7.945 1.00 15.39 C ATOM 582 CD1 PHE A 35 20.796 -0.529 7.784 1.00 16.31 C ATOM 583 CD2 PHE A 35 21.374 1.272 9.235 1.00 17.42 C ATOM 584 CE1 PHE A 35 20.570 -1.357 8.908 1.00 15.75 C ATOM 585 CE2 PHE A 35 21.148 0.444 10.359 1.00 18.58 C ATOM 586 CZ PHE A 35 20.748 -0.869 10.186 1.00 15.20 C ATOM 587 HA PHE A 35 20.333 0.515 5.411 1.00 0.00 H ATOM 588 HB2 PHE A 35 22.508 1.347 6.388 1.00 0.00 H ATOM 589 HB3 PHE A 35 21.580 2.684 7.106 1.00 0.00 H ATOM 590 HD2 PHE A 35 21.688 2.305 9.383 1.00 0.00 H ATOM 591 HE2 PHE A 35 21.289 0.841 11.364 1.00 0.00 H ATOM 592 HZ PHE A 35 20.575 -1.511 11.050 1.00 0.00 H ATOM 593 HE1 PHE A 35 20.252 -2.390 8.763 1.00 0.00 H ATOM 594 HD1 PHE A 35 20.650 -0.930 6.781 1.00 0.00 H ATOM 595 H PHE A 35 21.204 3.327 4.569 1.00 0.00 H ATOM 596 N ILE A 36 18.087 1.722 5.575 1.00 13.49 N ATOM 597 CA ILE A 36 16.785 2.363 5.787 1.00 13.38 C ATOM 598 C ILE A 36 15.827 1.600 6.708 1.00 13.22 C ATOM 599 O ILE A 36 15.758 0.357 6.670 1.00 12.22 O ATOM 600 CB ILE A 36 16.095 2.604 4.440 1.00 15.70 C ATOM 601 CG1 ILE A 36 16.135 1.325 3.605 1.00 18.19 C ATOM 602 CG2 ILE A 36 16.833 3.669 3.650 1.00 15.54 C ATOM 603 CD1 ILE A 36 15.357 1.460 2.327 1.00 18.54 C ATOM 604 HA ILE A 36 17.011 3.300 6.296 1.00 0.00 H ATOM 605 HB ILE A 36 15.070 2.916 4.640 1.00 0.00 H ATOM 606 HG12 ILE A 36 17.173 1.095 3.363 1.00 0.00 H ATOM 607 HG13 ILE A 36 15.711 0.509 4.190 1.00 0.00 H ATOM 608 HD11 ILE A 36 14.315 1.682 2.559 1.00 0.00 H ATOM 609 HD12 ILE A 36 15.778 2.269 1.730 1.00 0.00 H ATOM 610 HD13 ILE A 36 15.415 0.526 1.768 1.00 0.00 H ATOM 611 HG21 ILE A 36 16.841 4.600 4.217 1.00 0.00 H ATOM 612 HG22 ILE A 36 17.857 3.342 3.471 1.00 0.00 H ATOM 613 HG23 ILE A 36 16.329 3.827 2.697 1.00 0.00 H ATOM 614 H ILE A 36 18.124 0.789 5.116 1.00 0.00 H ATOM 615 N GLY A 37 15.106 2.372 7.533 1.00 13.21 N ATOM 616 CA GLY A 37 14.171 1.822 8.494 1.00 11.76 C ATOM 617 C GLY A 37 12.733 2.286 8.308 1.00 13.07 C ATOM 618 O GLY A 37 12.464 3.400 7.821 1.00 12.50 O ATOM 619 HA3 GLY A 37 14.497 2.113 9.493 1.00 0.00 H ATOM 620 HA2 GLY A 37 14.193 0.736 8.408 1.00 0.00 H ATOM 621 H GLY A 37 15.222 3.404 7.482 1.00 0.00 H ATOM 622 N TYR A 38 11.813 1.410 8.713 1.00 14.16 N ATOM 623 CA TYR A 38 10.366 1.616 8.606 1.00 13.98 C ATOM 624 C TYR A 38 9.689 1.165 9.890 1.00 16.27 C ATOM 625 O TYR A 38 10.257 0.387 10.650 1.00 13.66 O ATOM 626 CB TYR A 38 9.818 0.752 7.473 1.00 15.28 C ATOM 627 CG TYR A 38 10.493 0.989 6.141 1.00 14.52 C ATOM 628 CD1 TYR A 38 9.883 1.780 5.161 1.00 16.02 C ATOM 629 CD2 TYR A 38 11.745 0.435 5.859 1.00 13.88 C ATOM 630 CE1 TYR A 38 10.504 2.006 3.928 1.00 13.32 C ATOM 631 CE2 TYR A 38 12.381 0.666 4.617 1.00 14.26 C ATOM 632 CZ TYR A 38 11.744 1.450 3.662 1.00 13.75 C ATOM 633 OH TYR A 38 12.319 1.684 2.421 1.00 11.56 O ATOM 634 HA TYR A 38 10.173 2.673 8.421 1.00 0.00 H ATOM 635 HB3 TYR A 38 8.755 0.965 7.362 1.00 0.00 H ATOM 636 HB2 TYR A 38 9.951 -0.295 7.744 1.00 0.00 H ATOM 637 HD2 TYR A 38 12.239 -0.184 6.608 1.00 0.00 H ATOM 638 HE2 TYR A 38 13.360 0.234 4.411 1.00 0.00 H ATOM 639 HE1 TYR A 38 10.011 2.621 3.175 1.00 0.00 H ATOM 640 HD1 TYR A 38 8.909 2.227 5.361 1.00 0.00 H ATOM 641 HH TYR A 38 11.719 2.260 1.884 1.00 0.00 H ATOM 642 H TYR A 38 12.145 0.519 9.134 1.00 0.00 H ATOM 643 N LYS A 39 8.456 1.614 10.109 1.00 18.14 N ATOM 644 CA LYS A 39 7.740 1.201 11.300 1.00 19.78 C ATOM 645 C LYS A 39 7.304 -0.245 11.175 1.00 21.01 C ATOM 646 O LYS A 39 7.122 -0.949 12.176 1.00 19.34 O ATOM 647 HA LYS A 39 8.392 1.307 12.167 1.00 0.00 H ATOM 648 H LYS A 39 8.007 2.259 9.428 1.00 0.00 H ATOM 649 N GLU A 40 7.160 -0.695 9.931 1.00 22.01 N ATOM 650 CA GLU A 40 6.739 -2.054 9.614 1.00 25.37 C ATOM 651 C GLU A 40 7.435 -2.456 8.326 1.00 25.58 C ATOM 652 O GLU A 40 7.950 -1.603 7.605 1.00 25.50 O ATOM 653 CB GLU A 40 5.234 -2.118 9.362 1.00 29.22 C ATOM 654 CG GLU A 40 4.314 -1.889 10.547 1.00 34.33 C ATOM 655 CD GLU A 40 2.851 -1.860 10.101 1.00 37.28 C ATOM 656 OE1 GLU A 40 2.481 -2.704 9.250 1.00 38.44 O ATOM 657 OE2 GLU A 40 2.076 -1.006 10.590 1.00 36.55 O ATOM 658 HA GLU A 40 6.989 -2.710 10.448 1.00 0.00 H ATOM 659 HB2 GLU A 40 4.996 -1.363 8.613 1.00 0.00 H ATOM 660 HB3 GLU A 40 5.012 -3.107 8.962 1.00 0.00 H ATOM 661 HG2 GLU A 40 4.452 -2.695 11.268 1.00 0.00 H ATOM 662 HG3 GLU A 40 4.564 -0.937 11.015 1.00 0.00 H ATOM 663 H GLU A 40 7.358 -0.044 9.145 1.00 0.00 H ATOM 664 N ARG A 41 7.432 -3.748 8.017 1.00 27.50 N ATOM 665 CA ARG A 41 8.087 -4.204 6.795 1.00 29.20 C ATOM 666 C ARG A 41 7.304 -3.693 5.602 1.00 30.28 C ATOM 667 O ARG A 41 6.100 -3.940 5.492 1.00 28.24 O ATOM 668 CB ARG A 41 8.164 -5.728 6.745 1.00 30.84 C ATOM 669 CG ARG A 41 8.851 -6.256 5.499 1.00 33.27 C ATOM 670 CD ARG A 41 8.892 -7.779 5.502 1.00 36.19 C ATOM 671 NE ARG A 41 7.544 -8.339 5.525 1.00 40.23 N ATOM 672 CZ ARG A 41 6.721 -8.345 4.478 1.00 42.05 C ATOM 673 NH1 ARG A 41 7.114 -7.828 3.318 1.00 43.18 N ATOM 674 NH2 ARG A 41 5.501 -8.855 4.593 1.00 42.37 N ATOM 675 HA ARG A 41 9.105 -3.816 6.776 1.00 0.00 H ATOM 676 HB2 ARG A 41 8.717 -6.075 7.618 1.00 0.00 H ATOM 677 HB3 ARG A 41 7.150 -6.127 6.776 1.00 0.00 H ATOM 678 HG2 ARG A 41 8.305 -5.916 4.619 1.00 0.00 H ATOM 679 HG3 ARG A 41 9.870 -5.872 5.464 1.00 0.00 H ATOM 680 HD2 ARG A 41 9.435 -8.119 6.384 1.00 0.00 H ATOM 681 HD3 ARG A 41 9.406 -8.124 4.605 1.00 0.00 H ATOM 682 HE ARG A 41 7.205 -8.759 6.414 1.00 0.00 H ATOM 683 HH12 ARG A 41 6.470 -7.834 2.501 1.00 0.00 H ATOM 684 HH11 ARG A 41 8.065 -7.418 3.227 1.00 0.00 H ATOM 685 HH22 ARG A 41 4.860 -8.859 3.774 1.00 0.00 H ATOM 686 HH21 ARG A 41 5.186 -9.251 5.502 1.00 0.00 H ATOM 687 H ARG A 41 6.964 -4.433 8.644 1.00 0.00 H ATOM 688 N PRO A 42 7.980 -2.967 4.691 1.00 31.22 N ATOM 689 CA PRO A 42 7.347 -2.409 3.493 1.00 32.62 C ATOM 690 C PRO A 42 6.737 -3.524 2.640 1.00 33.76 C ATOM 691 O PRO A 42 7.425 -4.468 2.267 1.00 33.75 O ATOM 692 CB PRO A 42 8.504 -1.707 2.788 1.00 31.47 C ATOM 693 CG PRO A 42 9.463 -1.411 3.892 1.00 32.10 C ATOM 694 CD PRO A 42 9.423 -2.680 4.686 1.00 31.39 C ATOM 695 HA PRO A 42 6.520 -1.731 3.704 1.00 0.00 H ATOM 696 HD3 PRO A 42 9.987 -3.475 4.198 1.00 0.00 H ATOM 697 HD2 PRO A 42 9.805 -2.532 5.696 1.00 0.00 H ATOM 698 HG3 PRO A 42 9.132 -0.560 4.487 1.00 0.00 H ATOM 699 HG2 PRO A 42 10.464 -1.216 3.506 1.00 0.00 H ATOM 700 HB2 PRO A 42 8.958 -2.359 2.042 1.00 0.00 H ATOM 701 HB3 PRO A 42 8.167 -0.788 2.308 1.00 0.00 H ATOM 702 N GLN A 43 5.451 -3.396 2.330 1.00 34.71 N ATOM 703 CA GLN A 43 4.743 -4.403 1.549 1.00 36.48 C ATOM 704 C GLN A 43 4.892 -4.215 0.041 1.00 37.41 C ATOM 705 O GLN A 43 4.847 -5.188 -0.720 1.00 37.09 O ATOM 706 CB GLN A 43 3.267 -4.403 1.932 1.00 36.66 C ATOM 707 HA GLN A 43 5.198 -5.365 1.786 1.00 0.00 H ATOM 708 HB2 GLN A 43 3.168 -4.631 2.993 1.00 0.00 H ATOM 709 HB3 GLN A 43 2.840 -3.421 1.729 1.00 0.00 H ATOM 710 H GLN A 43 4.935 -2.553 2.654 1.00 0.00 H ATOM 711 N ASP A 44 5.082 -2.972 -0.397 1.00 37.82 N ATOM 712 CA ASP A 44 5.230 -2.712 -1.826 1.00 36.79 C ATOM 713 C ASP A 44 6.246 -1.630 -2.158 1.00 35.74 C ATOM 714 O ASP A 44 7.051 -1.227 -1.320 1.00 36.71 O ATOM 715 CB ASP A 44 3.882 -2.336 -2.434 1.00 36.89 C ATOM 716 CG ASP A 44 3.241 -1.154 -1.740 1.00 39.34 C ATOM 717 OD1 ASP A 44 3.969 -0.189 -1.415 1.00 41.00 O ATOM 718 OD2 ASP A 44 2.008 -1.178 -1.527 1.00 39.80 O ATOM 719 HA ASP A 44 5.607 -3.640 -2.257 1.00 0.00 H ATOM 720 HB2 ASP A 44 4.030 -2.086 -3.485 1.00 0.00 H ATOM 721 HB3 ASP A 44 3.212 -3.192 -2.356 1.00 0.00 H ATOM 722 H ASP A 44 5.125 -2.184 0.281 1.00 0.00 H ATOM 723 N VAL A 45 6.191 -1.165 -3.398 1.00 34.08 N ATOM 724 CA VAL A 45 7.081 -0.125 -3.886 1.00 32.90 C ATOM 725 C VAL A 45 6.812 1.201 -3.168 1.00 32.93 C ATOM 726 O VAL A 45 7.750 1.877 -2.727 1.00 32.33 O ATOM 727 CB VAL A 45 6.916 0.015 -5.419 1.00 32.60 C ATOM 728 CG1 VAL A 45 7.476 1.336 -5.909 1.00 31.91 C ATOM 729 CG2 VAL A 45 7.628 -1.159 -6.101 1.00 30.39 C ATOM 730 HA VAL A 45 8.113 -0.402 -3.672 1.00 0.00 H ATOM 731 HB VAL A 45 5.855 -0.002 -5.670 1.00 0.00 H ATOM 732 HG11 VAL A 45 6.946 2.156 -5.424 1.00 0.00 H ATOM 733 HG12 VAL A 45 8.537 1.392 -5.665 1.00 0.00 H ATOM 734 HG13 VAL A 45 7.346 1.406 -6.989 1.00 0.00 H ATOM 735 HG21 VAL A 45 8.686 -1.142 -5.839 1.00 0.00 H ATOM 736 HG22 VAL A 45 7.184 -2.096 -5.765 1.00 0.00 H ATOM 737 HG23 VAL A 45 7.518 -1.071 -7.182 1.00 0.00 H ATOM 738 H VAL A 45 5.482 -1.560 -4.048 1.00 0.00 H ATOM 739 N ASP A 46 5.536 1.551 -3.019 1.00 32.14 N ATOM 740 CA ASP A 46 5.160 2.787 -2.333 1.00 32.32 C ATOM 741 C ASP A 46 5.621 2.812 -0.880 1.00 31.16 C ATOM 742 O ASP A 46 6.140 3.818 -0.393 1.00 28.72 O ATOM 743 CB ASP A 46 3.646 2.985 -2.367 1.00 33.95 C ATOM 744 CG ASP A 46 3.142 3.313 -3.746 1.00 36.33 C ATOM 745 OD1 ASP A 46 2.013 3.846 -3.856 1.00 39.54 O ATOM 746 OD2 ASP A 46 3.877 3.035 -4.720 1.00 37.72 O ATOM 747 HA ASP A 46 5.659 3.595 -2.867 1.00 0.00 H ATOM 748 HB2 ASP A 46 3.165 2.068 -2.027 1.00 0.00 H ATOM 749 HB3 ASP A 46 3.384 3.802 -1.695 1.00 0.00 H ATOM 750 H ASP A 46 4.791 0.933 -3.398 1.00 0.00 H ATOM 751 N GLN A 47 5.403 1.707 -0.184 1.00 29.74 N ATOM 752 CA GLN A 47 5.821 1.624 1.199 1.00 28.97 C ATOM 753 C GLN A 47 7.336 1.654 1.303 1.00 28.37 C ATOM 754 O GLN A 47 7.863 2.008 2.342 1.00 28.61 O ATOM 755 CB GLN A 47 5.260 0.362 1.839 1.00 30.18 C ATOM 756 CG GLN A 47 3.766 0.465 2.136 1.00 30.02 C ATOM 757 CD GLN A 47 3.180 -0.837 2.644 1.00 31.91 C ATOM 758 OE1 GLN A 47 3.714 -1.458 3.565 1.00 32.91 O ATOM 759 NE2 GLN A 47 2.066 -1.256 2.046 1.00 31.63 N ATOM 760 HA GLN A 47 5.430 2.488 1.736 1.00 0.00 H ATOM 761 HB2 GLN A 47 5.424 -0.476 1.161 1.00 0.00 H ATOM 762 HB3 GLN A 47 5.790 0.180 2.774 1.00 0.00 H ATOM 763 HG2 GLN A 47 3.613 1.235 2.892 1.00 0.00 H ATOM 764 HG3 GLN A 47 3.247 0.748 1.220 1.00 0.00 H ATOM 765 HE22 GLN A 47 1.650 -0.699 1.272 1.00 0.00 H ATOM 766 HE21 GLN A 47 1.612 -2.140 2.353 1.00 0.00 H ATOM 767 H GLN A 47 4.930 0.896 -0.632 1.00 0.00 H ATOM 768 N ARG A 48 8.036 1.300 0.225 1.00 26.26 N ATOM 769 CA ARG A 48 9.495 1.304 0.225 1.00 26.91 C ATOM 770 C ARG A 48 10.061 2.704 -0.002 1.00 26.00 C ATOM 771 O ARG A 48 11.152 3.033 0.474 1.00 25.16 O ATOM 772 CB ARG A 48 10.024 0.385 -0.874 1.00 29.34 C ATOM 773 CG ARG A 48 9.688 -1.081 -0.689 1.00 34.26 C ATOM 774 CD ARG A 48 10.718 -1.783 0.175 1.00 39.65 C ATOM 775 NE ARG A 48 11.485 -2.754 -0.601 1.00 43.43 N ATOM 776 CZ ARG A 48 10.942 -3.677 -1.388 1.00 45.39 C ATOM 777 NH1 ARG A 48 9.617 -3.749 -1.517 1.00 47.27 N ATOM 778 NH2 ARG A 48 11.721 -4.522 -2.055 1.00 45.37 N ATOM 779 HA ARG A 48 9.815 0.951 1.206 1.00 0.00 H ATOM 780 HB2 ARG A 48 9.602 0.713 -1.824 1.00 0.00 H ATOM 781 HB3 ARG A 48 11.109 0.484 -0.906 1.00 0.00 H ATOM 782 HG2 ARG A 48 8.711 -1.163 -0.213 1.00 0.00 H ATOM 783 HG3 ARG A 48 9.657 -1.563 -1.666 1.00 0.00 H ATOM 784 HD2 ARG A 48 10.208 -2.300 0.988 1.00 0.00 H ATOM 785 HD3 ARG A 48 11.400 -1.041 0.590 1.00 0.00 H ATOM 786 HE ARG A 48 12.522 -2.721 -0.533 1.00 0.00 H ATOM 787 HH12 ARG A 48 9.193 -4.472 -2.133 1.00 0.00 H ATOM 788 HH11 ARG A 48 9.007 -3.083 -1.002 1.00 0.00 H ATOM 789 HH22 ARG A 48 11.297 -5.245 -2.671 1.00 0.00 H ATOM 790 HH21 ARG A 48 12.755 -4.461 -1.961 1.00 0.00 H ATOM 791 H ARG A 48 7.530 1.014 -0.637 1.00 0.00 H ATOM 792 N GLU A 49 9.325 3.524 -0.743 1.00 25.97 N ATOM 793 CA GLU A 49 9.787 4.870 -1.048 1.00 25.46 C ATOM 794 C GLU A 49 9.591 5.852 0.090 1.00 23.32 C ATOM 795 O GLU A 49 10.001 7.000 -0.014 1.00 23.49 O ATOM 796 CB GLU A 49 9.091 5.395 -2.313 1.00 26.76 C ATOM 797 CG GLU A 49 9.744 4.928 -3.603 1.00 31.22 C ATOM 798 CD GLU A 49 8.764 4.809 -4.754 1.00 33.71 C ATOM 799 OE1 GLU A 49 7.831 5.641 -4.848 1.00 35.39 O ATOM 800 OE2 GLU A 49 8.934 3.881 -5.578 1.00 35.30 O ATOM 801 HA GLU A 49 10.862 4.793 -1.212 1.00 0.00 H ATOM 802 HB2 GLU A 49 8.057 5.051 -2.306 1.00 0.00 H ATOM 803 HB3 GLU A 49 9.111 6.485 -2.291 1.00 0.00 H ATOM 804 HG2 GLU A 49 10.519 5.643 -3.879 1.00 0.00 H ATOM 805 HG3 GLU A 49 10.197 3.952 -3.430 1.00 0.00 H ATOM 806 H GLU A 49 8.407 3.200 -1.110 1.00 0.00 H ATOM 807 N ALA A 50 8.987 5.398 1.182 1.00 23.22 N ATOM 808 CA ALA A 50 8.735 6.272 2.316 1.00 20.59 C ATOM 809 C ALA A 50 9.370 5.826 3.632 1.00 19.11 C ATOM 810 O ALA A 50 8.660 5.609 4.606 1.00 20.34 O ATOM 811 CB ALA A 50 7.219 6.434 2.502 1.00 19.71 C ATOM 812 HA ALA A 50 9.214 7.220 2.072 1.00 0.00 H ATOM 813 HB1 ALA A 50 6.788 6.870 1.601 1.00 0.00 H ATOM 814 HB2 ALA A 50 6.770 5.458 2.685 1.00 0.00 H ATOM 815 HB3 ALA A 50 7.026 7.089 3.352 1.00 0.00 H ATOM 816 H ALA A 50 8.690 4.402 1.227 1.00 0.00 H ATOM 817 N PRO A 51 10.709 5.679 3.684 1.00 18.76 N ATOM 818 CA PRO A 51 11.331 5.253 4.945 1.00 17.36 C ATOM 819 C PRO A 51 11.319 6.334 6.021 1.00 17.05 C ATOM 820 O PRO A 51 11.315 7.525 5.716 1.00 17.29 O ATOM 821 CB PRO A 51 12.755 4.908 4.519 1.00 19.90 C ATOM 822 CG PRO A 51 13.016 5.922 3.431 1.00 17.22 C ATOM 823 CD PRO A 51 11.729 5.773 2.620 1.00 18.37 C ATOM 824 HA PRO A 51 10.793 4.425 5.408 1.00 0.00 H ATOM 825 HD3 PRO A 51 11.559 6.641 1.982 1.00 0.00 H ATOM 826 HD2 PRO A 51 11.748 4.872 2.007 1.00 0.00 H ATOM 827 HG3 PRO A 51 13.898 5.668 2.843 1.00 0.00 H ATOM 828 HG2 PRO A 51 13.127 6.929 3.833 1.00 0.00 H ATOM 829 HB2 PRO A 51 13.455 5.026 5.346 1.00 0.00 H ATOM 830 HB3 PRO A 51 12.817 3.890 4.134 1.00 0.00 H ATOM 831 N LEU A 52 11.316 5.913 7.280 1.00 14.39 N ATOM 832 CA LEU A 52 11.357 6.840 8.403 1.00 15.21 C ATOM 833 C LEU A 52 12.820 7.249 8.666 1.00 15.38 C ATOM 834 O LEU A 52 13.111 8.396 9.026 1.00 14.57 O ATOM 835 CB LEU A 52 10.796 6.173 9.657 1.00 14.08 C ATOM 836 CG LEU A 52 9.292 5.899 9.688 1.00 16.91 C ATOM 837 CD1 LEU A 52 8.916 5.328 11.074 1.00 16.81 C ATOM 838 CD2 LEU A 52 8.512 7.192 9.425 1.00 18.21 C ATOM 839 HA LEU A 52 10.756 7.717 8.163 1.00 0.00 H ATOM 840 HB2 LEU A 52 11.306 5.217 9.777 1.00 0.00 H ATOM 841 HB3 LEU A 52 11.030 6.817 10.504 1.00 0.00 H ATOM 842 HG LEU A 52 9.037 5.179 8.911 1.00 0.00 H ATOM 843 HD21 LEU A 52 8.757 7.925 10.193 1.00 0.00 H ATOM 844 HD22 LEU A 52 8.783 7.586 8.445 1.00 0.00 H ATOM 845 HD23 LEU A 52 7.443 6.981 9.450 1.00 0.00 H ATOM 846 HD11 LEU A 52 9.464 4.401 11.244 1.00 0.00 H ATOM 847 HD12 LEU A 52 9.175 6.052 11.846 1.00 0.00 H ATOM 848 HD13 LEU A 52 7.845 5.129 11.105 1.00 0.00 H ATOM 849 H LEU A 52 11.283 4.891 7.470 1.00 0.00 H ATOM 850 N ASN A 53 13.736 6.299 8.476 1.00 13.92 N ATOM 851 CA ASN A 53 15.167 6.541 8.704 1.00 12.57 C ATOM 852 C ASN A 53 15.958 6.163 7.468 1.00 12.64 C ATOM 853 O ASN A 53 15.600 5.231 6.758 1.00 15.96 O ATOM 854 CB ASN A 53 15.639 5.696 9.870 1.00 12.23 C ATOM 855 CG ASN A 53 14.748 5.818 11.053 1.00 11.07 C ATOM 856 OD1 ASN A 53 13.999 4.896 11.385 1.00 13.42 O ATOM 857 ND2 ASN A 53 14.788 6.970 11.694 1.00 11.69 N ATOM 858 HA ASN A 53 15.320 7.598 8.923 1.00 0.00 H ATOM 859 HB2 ASN A 53 15.667 4.652 9.558 1.00 0.00 H ATOM 860 HB3 ASN A 53 16.642 6.016 10.152 1.00 0.00 H ATOM 861 HD22 ASN A 53 15.436 7.719 11.377 1.00 0.00 H ATOM 862 HD21 ASN A 53 14.171 7.129 12.516 1.00 0.00 H ATOM 863 H ASN A 53 13.428 5.358 8.157 1.00 0.00 H ATOM 864 N ASN A 54 17.058 6.866 7.227 1.00 15.35 N ATOM 865 CA ASN A 54 17.891 6.617 6.064 1.00 15.12 C ATOM 866 C ASN A 54 19.310 7.097 6.353 1.00 15.52 C ATOM 867 O ASN A 54 19.559 8.303 6.461 1.00 13.66 O ATOM 868 CB ASN A 54 17.297 7.361 4.857 1.00 16.46 C ATOM 869 CG ASN A 54 18.086 7.157 3.590 1.00 17.62 C ATOM 870 OD1 ASN A 54 19.131 6.494 3.580 1.00 20.82 O ATOM 871 ND2 ASN A 54 17.602 7.752 2.506 1.00 18.00 N ATOM 872 HA ASN A 54 17.924 5.551 5.839 1.00 0.00 H ATOM 873 HB2 ASN A 54 16.280 7.003 4.694 1.00 0.00 H ATOM 874 HB3 ASN A 54 17.273 8.427 5.083 1.00 0.00 H ATOM 875 HD22 ASN A 54 16.719 8.299 2.563 1.00 0.00 H ATOM 876 HD21 ASN A 54 18.106 7.671 1.600 1.00 0.00 H ATOM 877 H ASN A 54 17.331 7.618 7.891 1.00 0.00 H ATOM 878 N PHE A 55 20.231 6.141 6.479 1.00 14.46 N ATOM 879 CA PHE A 55 21.638 6.444 6.757 1.00 14.61 C ATOM 880 C PHE A 55 22.496 5.844 5.677 1.00 15.94 C ATOM 881 O PHE A 55 22.043 5.006 4.902 1.00 17.99 O ATOM 882 CB PHE A 55 22.093 5.802 8.083 1.00 14.23 C ATOM 883 CG PHE A 55 21.158 6.021 9.213 1.00 14.55 C ATOM 884 CD1 PHE A 55 20.903 7.299 9.686 1.00 14.86 C ATOM 885 CD2 PHE A 55 20.442 4.955 9.746 1.00 15.14 C ATOM 886 CE1 PHE A 55 19.952 7.505 10.648 1.00 13.59 C ATOM 887 CE2 PHE A 55 19.498 5.166 10.700 1.00 10.71 C ATOM 888 CZ PHE A 55 19.251 6.456 11.151 1.00 12.52 C ATOM 889 HA PHE A 55 21.738 7.528 6.808 1.00 0.00 H ATOM 890 HB2 PHE A 55 22.196 4.728 7.926 1.00 0.00 H ATOM 891 HB3 PHE A 55 23.062 6.223 8.353 1.00 0.00 H ATOM 892 HD2 PHE A 55 20.640 3.942 9.396 1.00 0.00 H ATOM 893 HE2 PHE A 55 18.937 4.326 11.110 1.00 0.00 H ATOM 894 HZ PHE A 55 18.490 6.628 11.913 1.00 0.00 H ATOM 895 HE1 PHE A 55 19.756 8.514 11.012 1.00 0.00 H ATOM 896 HD1 PHE A 55 21.464 8.145 9.289 1.00 0.00 H ATOM 897 H PHE A 55 19.941 5.147 6.377 1.00 0.00 H ATOM 898 N SER A 56 23.747 6.287 5.630 1.00 16.63 N ATOM 899 CA SER A 56 24.719 5.742 4.703 1.00 17.73 C ATOM 900 C SER A 56 25.780 5.108 5.599 1.00 17.80 C ATOM 901 O SER A 56 26.267 5.745 6.528 1.00 17.19 O ATOM 902 CB SER A 56 25.373 6.830 3.879 1.00 19.25 C ATOM 903 OG SER A 56 26.594 6.325 3.361 1.00 21.47 O ATOM 904 HA SER A 56 24.252 5.047 4.005 1.00 0.00 H ATOM 905 HB2 SER A 56 25.570 7.699 4.506 1.00 0.00 H ATOM 906 HB3 SER A 56 24.715 7.117 3.059 1.00 0.00 H ATOM 907 HG SER A 56 26.409 5.535 2.794 1.00 0.00 H ATOM 908 H SER A 56 24.038 7.047 6.277 1.00 0.00 H ATOM 909 N VAL A 57 26.134 3.858 5.344 1.00 19.89 N ATOM 910 CA VAL A 57 27.137 3.215 6.183 1.00 19.69 C ATOM 911 C VAL A 57 28.527 3.220 5.567 1.00 20.48 C ATOM 912 O VAL A 57 29.407 2.474 5.992 1.00 20.90 O ATOM 913 CB VAL A 57 26.747 1.765 6.535 1.00 19.12 C ATOM 914 CG1 VAL A 57 25.432 1.758 7.296 1.00 21.70 C ATOM 915 CG2 VAL A 57 26.677 0.915 5.281 1.00 19.07 C ATOM 916 HA VAL A 57 27.170 3.814 7.093 1.00 0.00 H ATOM 917 HB VAL A 57 27.512 1.330 7.178 1.00 0.00 H ATOM 918 HG11 VAL A 57 25.542 2.336 8.214 1.00 0.00 H ATOM 919 HG12 VAL A 57 24.653 2.202 6.676 1.00 0.00 H ATOM 920 HG13 VAL A 57 25.161 0.731 7.542 1.00 0.00 H ATOM 921 HG21 VAL A 57 25.930 1.329 4.604 1.00 0.00 H ATOM 922 HG22 VAL A 57 27.651 0.912 4.791 1.00 0.00 H ATOM 923 HG23 VAL A 57 26.400 -0.105 5.550 1.00 0.00 H ATOM 924 H VAL A 57 25.701 3.340 4.553 1.00 0.00 H ATOM 925 N ALA A 58 28.738 4.051 4.558 1.00 23.34 N ATOM 926 CA ALA A 58 30.065 4.112 3.951 1.00 24.21 C ATOM 927 C ALA A 58 31.024 4.695 5.003 1.00 26.35 C ATOM 928 O ALA A 58 30.692 5.673 5.682 1.00 25.60 O ATOM 929 CB ALA A 58 30.037 4.975 2.726 1.00 24.06 C ATOM 930 HA ALA A 58 30.395 3.120 3.644 1.00 0.00 H ATOM 931 HB1 ALA A 58 29.334 4.558 2.005 1.00 0.00 H ATOM 932 HB2 ALA A 58 29.723 5.982 3.000 1.00 0.00 H ATOM 933 HB3 ALA A 58 31.033 5.010 2.285 1.00 0.00 H ATOM 934 H ALA A 58 27.968 4.653 4.202 1.00 0.00 H ATOM 935 N GLN A 59 32.198 4.078 5.154 1.00 27.51 N ATOM 936 CA GLN A 59 33.188 4.540 6.129 1.00 27.99 C ATOM 937 C GLN A 59 32.632 4.670 7.556 1.00 28.56 C ATOM 938 O GLN A 59 32.926 5.651 8.241 1.00 29.49 O ATOM 939 CB GLN A 59 33.733 5.913 5.732 1.00 29.51 C ATOM 940 CG GLN A 59 34.440 6.009 4.399 1.00 32.43 C ATOM 941 CD GLN A 59 34.934 7.425 4.138 1.00 33.19 C ATOM 942 OE1 GLN A 59 34.212 8.397 4.366 1.00 33.95 O ATOM 943 NE2 GLN A 59 36.161 7.548 3.653 1.00 36.15 N ATOM 944 HA GLN A 59 33.967 3.778 6.126 1.00 0.00 H ATOM 945 HB2 GLN A 59 32.893 6.607 5.710 1.00 0.00 H ATOM 946 HB3 GLN A 59 34.439 6.223 6.503 1.00 0.00 H ATOM 947 HG2 GLN A 59 35.292 5.329 4.398 1.00 0.00 H ATOM 948 HG3 GLN A 59 33.748 5.722 3.608 1.00 0.00 H ATOM 949 HE22 GLN A 59 36.737 6.701 3.475 1.00 0.00 H ATOM 950 HE21 GLN A 59 36.548 8.492 3.450 1.00 0.00 H ATOM 951 H GLN A 59 32.415 3.249 4.565 1.00 0.00 H ATOM 952 N CYS A 60 31.838 3.719 8.024 1.00 26.86 N ATOM 953 CA CYS A 60 31.302 3.865 9.370 1.00 27.52 C ATOM 954 C CYS A 60 32.141 3.149 10.414 1.00 26.84 C ATOM 955 O CYS A 60 33.066 2.408 10.090 1.00 26.69 O ATOM 956 CB CYS A 60 29.863 3.334 9.444 1.00 27.53 C ATOM 957 SG CYS A 60 29.725 1.520 9.268 1.00 33.36 S ATOM 958 HA CYS A 60 31.321 4.932 9.590 1.00 0.00 H ATOM 959 HB2 CYS A 60 29.285 3.800 8.646 1.00 0.00 H ATOM 960 HB3 CYS A 60 29.443 3.617 10.409 1.00 0.00 H ATOM 961 HG CYS A 60 30.237 1.138 8.045 1.00 0.00 H ATOM 962 H CYS A 60 31.603 2.888 7.444 1.00 0.00 H ATOM 963 N GLN A 61 31.816 3.414 11.671 1.00 26.27 N ATOM 964 CA GLN A 61 32.454 2.773 12.815 1.00 27.01 C ATOM 965 C GLN A 61 31.395 1.817 13.359 1.00 25.67 C ATOM 966 O GLN A 61 30.205 2.137 13.361 1.00 25.47 O ATOM 967 CB GLN A 61 32.780 3.783 13.906 1.00 30.31 C ATOM 968 CG GLN A 61 34.244 3.932 14.186 1.00 34.62 C ATOM 969 CD GLN A 61 34.850 5.026 13.352 1.00 36.28 C ATOM 970 OE1 GLN A 61 34.895 4.932 12.123 1.00 38.65 O ATOM 971 NE2 GLN A 61 35.308 6.085 14.013 1.00 35.57 N ATOM 972 HA GLN A 61 33.385 2.288 12.522 1.00 0.00 H ATOM 973 HB2 GLN A 61 32.389 4.754 13.602 1.00 0.00 H ATOM 974 HB3 GLN A 61 32.286 3.466 14.825 1.00 0.00 H ATOM 975 HG2 GLN A 61 34.382 4.171 15.241 1.00 0.00 H ATOM 976 HG3 GLN A 61 34.747 2.992 13.959 1.00 0.00 H ATOM 977 HE22 GLN A 61 35.247 6.117 15.051 1.00 0.00 H ATOM 978 HE21 GLN A 61 35.727 6.882 13.492 1.00 0.00 H ATOM 979 H GLN A 61 31.068 4.114 11.851 1.00 0.00 H ATOM 980 N LEU A 62 31.803 0.646 13.812 1.00 23.43 N ATOM 981 CA LEU A 62 30.817 -0.288 14.330 1.00 22.69 C ATOM 982 C LEU A 62 31.231 -0.736 15.715 1.00 23.28 C ATOM 983 O LEU A 62 32.281 -1.351 15.891 1.00 23.31 O ATOM 984 CB LEU A 62 30.667 -1.483 13.380 1.00 22.50 C ATOM 985 CG LEU A 62 29.442 -1.526 12.436 1.00 24.30 C ATOM 986 CD1 LEU A 62 29.004 -0.127 12.007 1.00 24.12 C ATOM 987 CD2 LEU A 62 29.773 -2.402 11.230 1.00 21.97 C ATOM 988 HA LEU A 62 29.847 0.203 14.399 1.00 0.00 H ATOM 989 HB2 LEU A 62 31.558 -1.510 12.753 1.00 0.00 H ATOM 990 HB3 LEU A 62 30.631 -2.382 13.996 1.00 0.00 H ATOM 991 HG LEU A 62 28.598 -1.958 12.974 1.00 0.00 H ATOM 992 HD21 LEU A 62 30.630 -1.983 10.702 1.00 0.00 H ATOM 993 HD22 LEU A 62 30.011 -3.410 11.569 1.00 0.00 H ATOM 994 HD23 LEU A 62 28.913 -2.436 10.561 1.00 0.00 H ATOM 995 HD11 LEU A 62 28.736 0.455 12.889 1.00 0.00 H ATOM 996 HD12 LEU A 62 29.823 0.364 11.482 1.00 0.00 H ATOM 997 HD13 LEU A 62 28.141 -0.205 11.345 1.00 0.00 H ATOM 998 H LEU A 62 32.812 0.396 13.798 1.00 0.00 H ATOM 999 N MET A 63 30.406 -0.409 16.701 1.00 23.21 N ATOM 1000 CA MET A 63 30.691 -0.783 18.072 1.00 22.81 C ATOM 1001 C MET A 63 29.623 -1.710 18.611 1.00 22.09 C ATOM 1002 O MET A 63 28.454 -1.641 18.212 1.00 21.28 O ATOM 1003 CB MET A 63 30.783 0.463 18.942 1.00 25.56 C ATOM 1004 CG MET A 63 32.000 1.319 18.657 1.00 31.07 C ATOM 1005 SD MET A 63 31.665 3.050 19.039 1.00 37.99 S ATOM 1006 CE MET A 63 30.886 3.486 17.491 1.00 37.35 C ATOM 1007 HA MET A 63 31.645 -1.309 18.093 1.00 0.00 H ATOM 1008 HB2 MET A 63 29.891 1.066 18.774 1.00 0.00 H ATOM 1009 HB3 MET A 63 30.818 0.152 19.986 1.00 0.00 H ATOM 1010 HG2 MET A 63 32.262 1.229 17.603 1.00 0.00 H ATOM 1011 HG3 MET A 63 32.833 0.972 19.268 1.00 0.00 H ATOM 1012 HE1 MET A 63 31.588 3.321 16.673 1.00 0.00 H ATOM 1013 HE2 MET A 63 30.002 2.866 17.343 1.00 0.00 H ATOM 1014 HE3 MET A 63 30.595 4.536 17.515 1.00 0.00 H ATOM 1015 H MET A 63 29.540 0.125 16.487 1.00 0.00 H ATOM 1016 N LYS A 64 30.028 -2.577 19.524 1.00 18.16 N ATOM 1017 CA LYS A 64 29.120 -3.522 20.137 1.00 17.40 C ATOM 1018 C LYS A 64 29.117 -3.273 21.634 1.00 17.96 C ATOM 1019 O LYS A 64 30.194 -3.148 22.219 1.00 15.65 O ATOM 1020 CB LYS A 64 29.581 -4.957 19.850 1.00 18.78 C ATOM 1021 CG LYS A 64 29.418 -5.377 18.387 1.00 19.72 C ATOM 1022 CD LYS A 64 29.460 -6.895 18.231 1.00 24.09 C ATOM 1023 CE LYS A 64 30.823 -7.417 17.875 1.00 27.07 C ATOM 1024 NZ LYS A 64 31.185 -7.119 16.467 1.00 29.94 N ATOM 1025 HA LYS A 64 28.117 -3.394 19.730 1.00 0.00 H ATOM 1026 HB2 LYS A 64 30.635 -5.040 20.116 1.00 0.00 H ATOM 1027 HB3 LYS A 64 28.997 -5.637 20.470 1.00 0.00 H ATOM 1028 HG2 LYS A 64 28.461 -5.009 18.017 1.00 0.00 H ATOM 1029 HG3 LYS A 64 30.225 -4.938 17.800 1.00 0.00 H ATOM 1030 HD2 LYS A 64 29.150 -7.349 19.172 1.00 0.00 H ATOM 1031 HD3 LYS A 64 28.763 -7.182 17.444 1.00 0.00 H ATOM 1032 HE2 LYS A 64 30.835 -8.497 18.020 1.00 0.00 H ATOM 1033 HE3 LYS A 64 31.559 -6.955 18.533 1.00 0.00 H ATOM 1034 HZ1 LYS A 64 30.492 -7.562 15.831 1.00 0.00 H ATOM 1035 HZ2 LYS A 64 31.183 -6.089 16.320 1.00 0.00 H ATOM 1036 HZ3 LYS A 64 32.133 -7.498 16.266 1.00 0.00 H ATOM 1037 H LYS A 64 31.028 -2.580 19.810 1.00 0.00 H ATOM 1038 N THR A 65 27.925 -3.193 22.236 1.00 17.40 N ATOM 1039 CA THR A 65 27.790 -2.993 23.678 1.00 18.83 C ATOM 1040 C THR A 65 26.701 -3.895 24.276 1.00 20.75 C ATOM 1041 O THR A 65 25.918 -4.528 23.538 1.00 18.30 O ATOM 1042 CB THR A 65 27.433 -1.527 24.049 1.00 19.52 C ATOM 1043 OG1 THR A 65 26.235 -1.123 23.374 1.00 19.72 O ATOM 1044 CG2 THR A 65 28.536 -0.591 23.679 1.00 19.27 C ATOM 1045 HA THR A 65 28.767 -3.246 24.091 1.00 0.00 H ATOM 1046 HB THR A 65 27.284 -1.488 25.128 1.00 0.00 H ATOM 1047 HG1 THR A 65 26.019 -0.188 23.619 1.00 0.00 H ATOM 1048 HG23 THR A 65 29.452 -0.891 24.188 1.00 0.00 H ATOM 1049 HG21 THR A 65 28.691 -0.623 22.601 1.00 0.00 H ATOM 1050 HG22 THR A 65 28.267 0.422 23.979 1.00 0.00 H ATOM 1051 H THR A 65 27.064 -3.276 21.658 1.00 0.00 H ATOM 1052 N GLU A 66 26.657 -3.943 25.610 1.00 21.89 N ATOM 1053 CA GLU A 66 25.657 -4.735 26.327 1.00 24.33 C ATOM 1054 C GLU A 66 24.871 -3.840 27.291 1.00 25.39 C ATOM 1055 O GLU A 66 23.973 -4.307 28.001 1.00 24.90 O ATOM 1056 CB GLU A 66 26.307 -5.862 27.130 1.00 26.00 C ATOM 1057 CG GLU A 66 27.279 -6.711 26.341 1.00 27.99 C ATOM 1058 CD GLU A 66 26.641 -7.445 25.164 1.00 28.29 C ATOM 1059 OE1 GLU A 66 27.394 -7.785 24.229 1.00 26.59 O ATOM 1060 OE2 GLU A 66 25.414 -7.696 25.175 1.00 27.21 O ATOM 1061 HA GLU A 66 24.990 -5.170 25.583 1.00 0.00 H ATOM 1062 HB2 GLU A 66 26.844 -5.418 27.968 1.00 0.00 H ATOM 1063 HB3 GLU A 66 25.517 -6.511 27.509 1.00 0.00 H ATOM 1064 HG2 GLU A 66 28.067 -6.064 25.956 1.00 0.00 H ATOM 1065 HG3 GLU A 66 27.714 -7.451 27.013 1.00 0.00 H ATOM 1066 H GLU A 66 27.356 -3.400 26.157 1.00 0.00 H ATOM 1067 N ARG A 67 25.211 -2.560 27.318 1.00 25.85 N ATOM 1068 CA ARG A 67 24.519 -1.612 28.193 1.00 29.53 C ATOM 1069 C ARG A 67 23.895 -0.490 27.382 1.00 30.40 C ATOM 1070 O ARG A 67 24.509 0.022 26.441 1.00 31.27 O ATOM 1071 CB ARG A 67 25.488 -1.023 29.229 1.00 29.26 C ATOM 1072 CG ARG A 67 25.282 -1.537 30.627 1.00 31.22 C ATOM 1073 CD ARG A 67 25.399 -3.041 30.677 1.00 34.61 C ATOM 1074 NE ARG A 67 24.889 -3.631 31.914 1.00 36.98 N ATOM 1075 CZ ARG A 67 25.621 -3.868 33.002 1.00 38.89 C ATOM 1076 NH1 ARG A 67 26.898 -3.555 33.020 1.00 40.64 N ATOM 1077 NH2 ARG A 67 25.088 -4.452 34.064 1.00 40.53 N ATOM 1078 HA ARG A 67 23.729 -2.153 28.714 1.00 0.00 H ATOM 1079 HB2 ARG A 67 26.506 -1.265 28.922 1.00 0.00 H ATOM 1080 HB3 ARG A 67 25.361 0.059 29.240 1.00 0.00 H ATOM 1081 HG2 ARG A 67 26.035 -1.099 31.282 1.00 0.00 H ATOM 1082 HG3 ARG A 67 24.290 -1.245 30.971 1.00 0.00 H ATOM 1083 HD2 ARG A 67 26.451 -3.308 30.577 1.00 0.00 H ATOM 1084 HD3 ARG A 67 24.838 -3.458 29.840 1.00 0.00 H ATOM 1085 HE ARG A 67 23.881 -3.884 31.947 1.00 0.00 H ATOM 1086 HH12 ARG A 67 27.467 -3.741 33.870 1.00 0.00 H ATOM 1087 HH11 ARG A 67 27.339 -3.121 32.184 1.00 0.00 H ATOM 1088 HH22 ARG A 67 25.671 -4.631 34.906 1.00 0.00 H ATOM 1089 HH21 ARG A 67 24.086 -4.732 34.056 1.00 0.00 H ATOM 1090 H ARG A 67 25.982 -2.223 26.707 1.00 0.00 H ATOM 1091 N PRO A 68 22.650 -0.105 27.724 1.00 31.24 N ATOM 1092 CA PRO A 68 21.855 -0.686 28.810 1.00 30.86 C ATOM 1093 C PRO A 68 21.199 -2.008 28.403 1.00 29.76 C ATOM 1094 O PRO A 68 20.729 -2.770 29.254 1.00 29.92 O ATOM 1095 CB PRO A 68 20.824 0.395 29.086 1.00 32.19 C ATOM 1096 CG PRO A 68 20.554 0.922 27.697 1.00 31.88 C ATOM 1097 CD PRO A 68 21.953 1.048 27.125 1.00 31.46 C ATOM 1098 HA PRO A 68 22.453 -0.945 29.684 1.00 0.00 H ATOM 1099 HD3 PRO A 68 21.941 0.980 26.037 1.00 0.00 H ATOM 1100 HD2 PRO A 68 22.418 1.988 27.424 1.00 0.00 H ATOM 1101 HG3 PRO A 68 20.052 1.889 27.731 1.00 0.00 H ATOM 1102 HG2 PRO A 68 19.952 0.222 27.118 1.00 0.00 H ATOM 1103 HB2 PRO A 68 19.922 -0.021 29.536 1.00 0.00 H ATOM 1104 HB3 PRO A 68 21.227 1.173 29.735 1.00 0.00 H ATOM 1105 N ARG A 69 21.167 -2.268 27.099 1.00 27.29 N ATOM 1106 CA ARG A 69 20.568 -3.492 26.577 1.00 25.07 C ATOM 1107 C ARG A 69 21.589 -4.433 25.972 1.00 21.90 C ATOM 1108 O ARG A 69 22.487 -3.999 25.277 1.00 17.77 O ATOM 1109 CB ARG A 69 19.537 -3.173 25.491 1.00 26.58 C ATOM 1110 CG ARG A 69 18.153 -2.796 25.989 1.00 28.68 C ATOM 1111 CD ARG A 69 17.617 -3.853 26.936 1.00 32.61 C ATOM 1112 NE ARG A 69 16.163 -3.823 27.035 1.00 37.48 N ATOM 1113 CZ ARG A 69 15.345 -4.571 26.297 1.00 38.44 C ATOM 1114 NH1 ARG A 69 15.834 -5.418 25.399 1.00 40.07 N ATOM 1115 NH2 ARG A 69 14.037 -4.476 26.465 1.00 38.98 N ATOM 1116 HA ARG A 69 20.099 -3.977 27.433 1.00 0.00 H ATOM 1117 HB2 ARG A 69 19.919 -2.341 24.900 1.00 0.00 H ATOM 1118 HB3 ARG A 69 19.437 -4.053 24.855 1.00 0.00 H ATOM 1119 HG2 ARG A 69 18.209 -1.841 26.512 1.00 0.00 H ATOM 1120 HG3 ARG A 69 17.479 -2.703 25.137 1.00 0.00 H ATOM 1121 HD2 ARG A 69 18.039 -3.683 27.926 1.00 0.00 H ATOM 1122 HD3 ARG A 69 17.924 -4.835 26.575 1.00 0.00 H ATOM 1123 HE ARG A 69 15.736 -3.175 27.727 1.00 0.00 H ATOM 1124 HH12 ARG A 69 15.189 -5.999 24.826 1.00 0.00 H ATOM 1125 HH11 ARG A 69 16.862 -5.501 25.268 1.00 0.00 H ATOM 1126 HH22 ARG A 69 13.395 -5.059 25.890 1.00 0.00 H ATOM 1127 HH21 ARG A 69 13.650 -3.819 27.172 1.00 0.00 H ATOM 1128 H ARG A 69 21.579 -1.582 26.435 1.00 0.00 H ATOM 1129 N PRO A 70 21.461 -5.745 26.239 1.00 20.35 N ATOM 1130 CA PRO A 70 22.406 -6.709 25.669 1.00 19.51 C ATOM 1131 C PRO A 70 22.154 -6.754 24.165 1.00 18.86 C ATOM 1132 O PRO A 70 21.071 -6.374 23.709 1.00 17.09 O ATOM 1133 CB PRO A 70 22.011 -8.020 26.330 1.00 20.61 C ATOM 1134 CG PRO A 70 21.434 -7.587 27.631 1.00 21.08 C ATOM 1135 CD PRO A 70 20.625 -6.371 27.276 1.00 20.19 C ATOM 1136 HA PRO A 70 23.459 -6.479 25.829 1.00 0.00 H ATOM 1137 HD3 PRO A 70 19.646 -6.646 26.884 1.00 0.00 H ATOM 1138 HD2 PRO A 70 20.499 -5.713 28.136 1.00 0.00 H ATOM 1139 HG3 PRO A 70 22.222 -7.336 28.342 1.00 0.00 H ATOM 1140 HG2 PRO A 70 20.800 -8.366 28.054 1.00 0.00 H ATOM 1141 HB2 PRO A 70 21.271 -8.552 25.732 1.00 0.00 H ATOM 1142 HB3 PRO A 70 22.881 -8.659 26.482 1.00 0.00 H ATOM 1143 N ASN A 71 23.146 -7.207 23.406 1.00 17.11 N ATOM 1144 CA ASN A 71 23.026 -7.320 21.957 1.00 18.77 C ATOM 1145 C ASN A 71 22.764 -5.997 21.259 1.00 18.40 C ATOM 1146 O ASN A 71 22.000 -5.927 20.284 1.00 17.07 O ATOM 1147 CB ASN A 71 21.921 -8.322 21.600 1.00 19.85 C ATOM 1148 CG ASN A 71 22.080 -9.614 22.349 1.00 21.23 C ATOM 1149 OD1 ASN A 71 23.166 -10.181 22.375 1.00 21.00 O ATOM 1150 ND2 ASN A 71 21.000 -10.088 22.975 1.00 23.04 N ATOM 1151 HA ASN A 71 23.993 -7.672 21.598 1.00 0.00 H ATOM 1152 HB2 ASN A 71 20.954 -7.885 21.849 1.00 0.00 H ATOM 1153 HB3 ASN A 71 21.961 -8.526 20.530 1.00 0.00 H ATOM 1154 HD22 ASN A 71 20.100 -9.570 22.923 1.00 0.00 H ATOM 1155 HD21 ASN A 71 21.059 -10.975 23.514 1.00 0.00 H ATOM 1156 H ASN A 71 24.038 -7.490 23.860 1.00 0.00 H ATOM 1157 N THR A 72 23.416 -4.951 21.747 1.00 15.76 N ATOM 1158 CA THR A 72 23.280 -3.629 21.153 1.00 15.41 C ATOM 1159 C THR A 72 24.495 -3.331 20.275 1.00 16.06 C ATOM 1160 O THR A 72 25.601 -3.799 20.540 1.00 16.76 O ATOM 1161 CB THR A 72 23.205 -2.533 22.250 1.00 14.82 C ATOM 1162 OG1 THR A 72 22.024 -2.719 23.035 1.00 17.18 O ATOM 1163 CG2 THR A 72 23.184 -1.140 21.647 1.00 15.65 C ATOM 1164 HA THR A 72 22.363 -3.621 20.563 1.00 0.00 H ATOM 1165 HB THR A 72 24.094 -2.625 22.874 1.00 0.00 H ATOM 1166 HG1 THR A 72 22.050 -3.612 23.463 1.00 0.00 H ATOM 1167 HG23 THR A 72 24.082 -0.992 21.047 1.00 0.00 H ATOM 1168 HG21 THR A 72 22.302 -1.032 21.016 1.00 0.00 H ATOM 1169 HG22 THR A 72 23.153 -0.400 22.447 1.00 0.00 H ATOM 1170 H THR A 72 24.037 -5.077 22.571 1.00 0.00 H ATOM 1171 N PHE A 73 24.288 -2.590 19.195 1.00 15.82 N ATOM 1172 CA PHE A 73 25.422 -2.190 18.393 1.00 14.72 C ATOM 1173 C PHE A 73 25.212 -0.733 18.031 1.00 15.83 C ATOM 1174 O PHE A 73 24.077 -0.259 17.912 1.00 11.71 O ATOM 1175 CB PHE A 73 25.608 -3.061 17.149 1.00 15.88 C ATOM 1176 CG PHE A 73 24.475 -2.999 16.176 1.00 16.31 C ATOM 1177 CD1 PHE A 73 23.353 -3.814 16.337 1.00 17.85 C ATOM 1178 CD2 PHE A 73 24.558 -2.176 15.060 1.00 16.59 C ATOM 1179 CE1 PHE A 73 22.337 -3.811 15.391 1.00 17.20 C ATOM 1180 CE2 PHE A 73 23.556 -2.162 14.114 1.00 16.42 C ATOM 1181 CZ PHE A 73 22.446 -2.975 14.269 1.00 16.15 C ATOM 1182 HA PHE A 73 26.342 -2.322 18.963 1.00 0.00 H ATOM 1183 HB2 PHE A 73 26.515 -2.737 16.638 1.00 0.00 H ATOM 1184 HB3 PHE A 73 25.725 -4.096 17.471 1.00 0.00 H ATOM 1185 HD2 PHE A 73 25.428 -1.532 14.931 1.00 0.00 H ATOM 1186 HE2 PHE A 73 23.637 -1.511 13.244 1.00 0.00 H ATOM 1187 HZ PHE A 73 21.656 -2.966 13.518 1.00 0.00 H ATOM 1188 HE1 PHE A 73 21.464 -4.451 15.518 1.00 0.00 H ATOM 1189 HD1 PHE A 73 23.274 -4.458 17.213 1.00 0.00 H ATOM 1190 H PHE A 73 23.325 -2.301 18.929 1.00 0.00 H ATOM 1191 N ILE A 74 26.321 -0.021 17.891 1.00 16.29 N ATOM 1192 CA ILE A 74 26.302 1.387 17.569 1.00 15.61 C ATOM 1193 C ILE A 74 27.008 1.617 16.250 1.00 16.34 C ATOM 1194 O ILE A 74 28.018 0.979 15.939 1.00 13.84 O ATOM 1195 CB ILE A 74 27.017 2.193 18.661 1.00 18.26 C ATOM 1196 CG1 ILE A 74 26.363 1.912 20.019 1.00 17.57 C ATOM 1197 CG2 ILE A 74 27.024 3.694 18.307 1.00 18.84 C ATOM 1198 CD1 ILE A 74 27.138 2.479 21.199 1.00 20.17 C ATOM 1199 HA ILE A 74 25.264 1.713 17.499 1.00 0.00 H ATOM 1200 HB ILE A 74 28.060 1.882 18.726 1.00 0.00 H ATOM 1201 HG12 ILE A 74 25.366 2.352 20.019 1.00 0.00 H ATOM 1202 HG13 ILE A 74 26.283 0.832 20.146 1.00 0.00 H ATOM 1203 HD11 ILE A 74 28.136 2.041 21.221 1.00 0.00 H ATOM 1204 HD12 ILE A 74 27.218 3.561 21.094 1.00 0.00 H ATOM 1205 HD13 ILE A 74 26.614 2.240 22.125 1.00 0.00 H ATOM 1206 HG21 ILE A 74 27.544 3.840 17.360 1.00 0.00 H ATOM 1207 HG22 ILE A 74 25.998 4.050 18.218 1.00 0.00 H ATOM 1208 HG23 ILE A 74 27.535 4.249 19.093 1.00 0.00 H ATOM 1209 H ILE A 74 27.239 -0.493 18.018 1.00 0.00 H ATOM 1210 N ILE A 75 26.466 2.537 15.468 1.00 18.34 N ATOM 1211 CA ILE A 75 27.054 2.879 14.185 1.00 19.76 C ATOM 1212 C ILE A 75 27.403 4.365 14.207 1.00 20.79 C ATOM 1213 O ILE A 75 26.561 5.198 14.531 1.00 21.15 O ATOM 1214 CB ILE A 75 26.054 2.629 13.036 1.00 21.22 C ATOM 1215 CG1 ILE A 75 25.720 1.139 12.948 1.00 22.51 C ATOM 1216 CG2 ILE A 75 26.636 3.117 11.721 1.00 22.55 C ATOM 1217 CD1 ILE A 75 24.548 0.842 12.047 1.00 21.91 C ATOM 1218 HA ILE A 75 27.937 2.262 14.020 1.00 0.00 H ATOM 1219 HB ILE A 75 25.137 3.183 13.238 1.00 0.00 H ATOM 1220 HG12 ILE A 75 26.593 0.611 12.566 1.00 0.00 H ATOM 1221 HG13 ILE A 75 25.487 0.777 13.949 1.00 0.00 H ATOM 1222 HD11 ILE A 75 23.663 1.356 12.423 1.00 0.00 H ATOM 1223 HD12 ILE A 75 24.770 1.189 11.038 1.00 0.00 H ATOM 1224 HD13 ILE A 75 24.367 -0.233 12.031 1.00 0.00 H ATOM 1225 HG21 ILE A 75 26.842 4.185 11.790 1.00 0.00 H ATOM 1226 HG22 ILE A 75 27.562 2.580 11.513 1.00 0.00 H ATOM 1227 HG23 ILE A 75 25.921 2.935 10.919 1.00 0.00 H ATOM 1228 H ILE A 75 25.602 3.025 15.779 1.00 0.00 H ATOM 1229 N ARG A 76 28.652 4.698 13.911 1.00 20.34 N ATOM 1230 CA ARG A 76 29.044 6.091 13.851 1.00 21.77 C ATOM 1231 C ARG A 76 29.188 6.306 12.352 1.00 23.47 C ATOM 1232 O ARG A 76 29.958 5.602 11.698 1.00 24.43 O ATOM 1233 CB ARG A 76 30.359 6.313 14.561 1.00 22.89 C ATOM 1234 HA ARG A 76 28.341 6.772 14.331 1.00 0.00 H ATOM 1235 HB2 ARG A 76 30.260 6.021 15.607 1.00 0.00 H ATOM 1236 HB3 ARG A 76 31.133 5.710 14.086 1.00 0.00 H ATOM 1237 H ARG A 76 29.354 3.955 13.721 1.00 0.00 H ATOM 1238 N CYS A 77 28.418 7.230 11.793 1.00 23.81 N ATOM 1239 CA CYS A 77 28.491 7.454 10.356 1.00 26.56 C ATOM 1240 C CYS A 77 28.261 8.884 9.926 1.00 26.80 C ATOM 1241 O CYS A 77 27.928 9.747 10.736 1.00 25.84 O ATOM 1242 CB CYS A 77 27.523 6.513 9.621 1.00 28.82 C ATOM 1243 SG CYS A 77 25.805 6.439 10.223 1.00 34.16 S ATOM 1244 HA CYS A 77 29.521 7.231 10.079 1.00 0.00 H ATOM 1245 HB2 CYS A 77 27.935 5.506 9.684 1.00 0.00 H ATOM 1246 HB3 CYS A 77 27.491 6.827 8.578 1.00 0.00 H ATOM 1247 HG CYS A 77 25.086 5.550 9.450 1.00 0.00 H ATOM 1248 H CYS A 77 27.766 7.791 12.377 1.00 0.00 H ATOM 1249 N LEU A 78 28.438 9.125 8.633 1.00 28.56 N ATOM 1250 CA LEU A 78 28.293 10.461 8.074 1.00 28.54 C ATOM 1251 C LEU A 78 26.944 10.710 7.415 1.00 29.50 C ATOM 1252 O LEU A 78 26.615 10.079 6.408 1.00 30.23 O ATOM 1253 CB LEU A 78 29.391 10.704 7.050 1.00 29.44 C ATOM 1254 CG LEU A 78 29.616 12.174 6.713 1.00 31.03 C ATOM 1255 CD1 LEU A 78 30.323 12.834 7.890 1.00 30.47 C ATOM 1256 CD2 LEU A 78 30.455 12.309 5.444 1.00 32.50 C ATOM 1257 HA LEU A 78 28.368 11.152 8.914 1.00 0.00 H ATOM 1258 HB2 LEU A 78 30.322 10.297 7.444 1.00 0.00 H ATOM 1259 HB3 LEU A 78 29.125 10.179 6.132 1.00 0.00 H ATOM 1260 HG LEU A 78 28.659 12.663 6.533 1.00 0.00 H ATOM 1261 HD21 LEU A 78 31.421 11.828 5.596 1.00 0.00 H ATOM 1262 HD22 LEU A 78 29.936 11.830 4.614 1.00 0.00 H ATOM 1263 HD23 LEU A 78 30.605 13.365 5.220 1.00 0.00 H ATOM 1264 HD11 LEU A 78 29.702 12.746 8.781 1.00 0.00 H ATOM 1265 HD12 LEU A 78 31.279 12.339 8.062 1.00 0.00 H ATOM 1266 HD13 LEU A 78 30.492 13.887 7.666 1.00 0.00 H ATOM 1267 H LEU A 78 28.687 8.337 8.001 1.00 0.00 H ATOM 1268 N GLN A 79 26.153 11.610 7.989 1.00 29.50 N ATOM 1269 CA GLN A 79 24.874 11.939 7.391 1.00 31.47 C ATOM 1270 C GLN A 79 25.102 13.270 6.700 1.00 32.36 C ATOM 1271 O GLN A 79 24.944 14.341 7.295 1.00 33.22 O ATOM 1272 CB GLN A 79 23.759 12.061 8.438 1.00 31.52 C ATOM 1273 CG GLN A 79 22.339 12.217 7.826 1.00 31.21 C ATOM 1274 CD GLN A 79 21.804 10.928 7.202 1.00 31.52 C ATOM 1275 OE1 GLN A 79 22.472 10.288 6.384 1.00 29.87 O ATOM 1276 NE2 GLN A 79 20.584 10.551 7.578 1.00 31.97 N ATOM 1277 HA GLN A 79 24.546 11.157 6.706 1.00 0.00 H ATOM 1278 HB2 GLN A 79 23.770 11.165 9.058 1.00 0.00 H ATOM 1279 HB3 GLN A 79 23.964 12.933 9.059 1.00 0.00 H ATOM 1280 HG2 GLN A 79 21.655 12.530 8.615 1.00 0.00 H ATOM 1281 HG3 GLN A 79 22.377 12.985 7.054 1.00 0.00 H ATOM 1282 HE22 GLN A 79 20.054 11.119 8.270 1.00 0.00 H ATOM 1283 HE21 GLN A 79 20.160 9.689 7.180 1.00 0.00 H ATOM 1284 H GLN A 79 26.452 12.079 8.868 1.00 0.00 H ATOM 1285 N TRP A 80 25.497 13.184 5.436 1.00 33.33 N ATOM 1286 CA TRP A 80 25.784 14.356 4.625 1.00 32.82 C ATOM 1287 C TRP A 80 27.158 14.905 5.044 1.00 31.86 C ATOM 1288 O TRP A 80 28.191 14.432 4.569 1.00 29.35 O ATOM 1289 CB TRP A 80 24.683 15.415 4.802 1.00 36.23 C ATOM 1290 CG TRP A 80 24.813 16.543 3.828 1.00 40.55 C ATOM 1291 CD1 TRP A 80 24.622 17.873 4.077 1.00 41.72 C ATOM 1292 CD2 TRP A 80 25.257 16.448 2.469 1.00 41.95 C ATOM 1293 NE1 TRP A 80 24.937 18.612 2.959 1.00 41.78 N ATOM 1294 CE2 TRP A 80 25.328 17.759 1.960 1.00 42.56 C ATOM 1295 CE3 TRP A 80 25.606 15.378 1.634 1.00 44.15 C ATOM 1296 CZ2 TRP A 80 25.737 18.030 0.657 1.00 42.98 C ATOM 1297 CZ3 TRP A 80 26.010 15.651 0.339 1.00 45.45 C ATOM 1298 CH2 TRP A 80 26.074 16.966 -0.134 1.00 43.94 C ATOM 1299 HA TRP A 80 25.806 14.088 3.569 1.00 0.00 H ATOM 1300 HB2 TRP A 80 23.713 14.939 4.659 1.00 0.00 H ATOM 1301 HB3 TRP A 80 24.743 15.817 5.813 1.00 0.00 H ATOM 1302 HE1 TRP A 80 24.887 19.648 2.885 1.00 0.00 H ATOM 1303 HD1 TRP A 80 24.272 18.288 5.022 1.00 0.00 H ATOM 1304 HZ2 TRP A 80 25.787 19.052 0.281 1.00 0.00 H ATOM 1305 HH2 TRP A 80 26.400 17.147 -1.158 1.00 0.00 H ATOM 1306 HZ3 TRP A 80 26.283 14.829 -0.323 1.00 0.00 H ATOM 1307 HE3 TRP A 80 25.560 14.351 1.997 1.00 0.00 H ATOM 1308 H TRP A 80 25.605 12.242 5.009 1.00 0.00 H ATOM 1309 N THR A 81 27.177 15.891 5.936 1.00 31.22 N ATOM 1310 CA THR A 81 28.447 16.455 6.389 1.00 31.46 C ATOM 1311 C THR A 81 28.589 16.396 7.912 1.00 30.71 C ATOM 1312 O THR A 81 29.541 16.940 8.473 1.00 31.28 O ATOM 1313 CB THR A 81 28.622 17.936 5.927 1.00 32.01 C ATOM 1314 OG1 THR A 81 27.621 18.765 6.540 1.00 32.75 O ATOM 1315 CG2 THR A 81 28.513 18.036 4.407 1.00 32.32 C ATOM 1316 HA THR A 81 29.224 15.841 5.934 1.00 0.00 H ATOM 1317 HB THR A 81 29.610 18.280 6.233 1.00 0.00 H ATOM 1318 HG1 THR A 81 27.741 19.701 6.241 1.00 0.00 H ATOM 1319 HG23 THR A 81 29.274 17.406 3.947 1.00 0.00 H ATOM 1320 HG21 THR A 81 27.524 17.702 4.092 1.00 0.00 H ATOM 1321 HG22 THR A 81 28.663 19.071 4.101 1.00 0.00 H ATOM 1322 H THR A 81 26.282 16.263 6.314 1.00 0.00 H ATOM 1323 N THR A 82 27.647 15.721 8.568 1.00 29.54 N ATOM 1324 CA THR A 82 27.649 15.587 10.021 1.00 26.49 C ATOM 1325 C THR A 82 27.877 14.140 10.463 1.00 26.32 C ATOM 1326 O THR A 82 27.244 13.211 9.964 1.00 23.99 O ATOM 1327 CB THR A 82 26.306 16.058 10.601 1.00 26.58 C ATOM 1328 OG1 THR A 82 25.997 17.352 10.076 1.00 26.34 O ATOM 1329 CG2 THR A 82 26.352 16.131 12.127 1.00 25.99 C ATOM 1330 HA THR A 82 28.467 16.204 10.392 1.00 0.00 H ATOM 1331 HB THR A 82 25.539 15.337 10.318 1.00 0.00 H ATOM 1332 HG1 THR A 82 25.132 17.660 10.447 1.00 0.00 H ATOM 1333 HG23 THR A 82 26.587 15.146 12.530 1.00 0.00 H ATOM 1334 HG21 THR A 82 27.119 16.843 12.432 1.00 0.00 H ATOM 1335 HG22 THR A 82 25.382 16.457 12.503 1.00 0.00 H ATOM 1336 H THR A 82 26.882 15.273 8.025 1.00 0.00 H ATOM 1337 N VAL A 83 28.792 13.947 11.403 1.00 24.64 N ATOM 1338 CA VAL A 83 29.058 12.611 11.925 1.00 24.10 C ATOM 1339 C VAL A 83 27.991 12.365 12.991 1.00 21.96 C ATOM 1340 O VAL A 83 27.738 13.217 13.836 1.00 21.10 O ATOM 1341 CB VAL A 83 30.465 12.535 12.569 1.00 24.78 C ATOM 1342 CG1 VAL A 83 30.775 11.108 13.001 1.00 26.42 C ATOM 1343 CG2 VAL A 83 31.511 13.033 11.575 1.00 26.74 C ATOM 1344 HA VAL A 83 29.029 11.867 11.129 1.00 0.00 H ATOM 1345 HB VAL A 83 30.487 13.170 13.455 1.00 0.00 H ATOM 1346 HG11 VAL A 83 30.033 10.781 13.729 1.00 0.00 H ATOM 1347 HG12 VAL A 83 30.746 10.452 12.131 1.00 0.00 H ATOM 1348 HG13 VAL A 83 31.767 11.073 13.451 1.00 0.00 H ATOM 1349 HG21 VAL A 83 31.487 12.409 10.681 1.00 0.00 H ATOM 1350 HG22 VAL A 83 31.291 14.066 11.305 1.00 0.00 H ATOM 1351 HG23 VAL A 83 32.499 12.978 12.031 1.00 0.00 H ATOM 1352 H VAL A 83 29.327 14.759 11.773 1.00 0.00 H ATOM 1353 N ILE A 84 27.337 11.217 12.944 1.00 21.11 N ATOM 1354 CA ILE A 84 26.306 10.928 13.927 1.00 19.59 C ATOM 1355 C ILE A 84 26.485 9.520 14.460 1.00 19.71 C ATOM 1356 O ILE A 84 27.153 8.693 13.841 1.00 19.36 O ATOM 1357 CB ILE A 84 24.874 11.024 13.308 1.00 20.42 C ATOM 1358 CG1 ILE A 84 24.701 9.960 12.211 1.00 19.70 C ATOM 1359 CG2 ILE A 84 24.635 12.444 12.770 1.00 20.48 C ATOM 1360 CD1 ILE A 84 23.343 9.981 11.521 1.00 21.59 C ATOM 1361 HA ILE A 84 26.404 11.666 14.723 1.00 0.00 H ATOM 1362 HB ILE A 84 24.127 10.827 14.077 1.00 0.00 H ATOM 1363 HG12 ILE A 84 25.470 10.121 11.455 1.00 0.00 H ATOM 1364 HG13 ILE A 84 24.838 8.978 12.664 1.00 0.00 H ATOM 1365 HD11 ILE A 84 22.559 9.808 12.259 1.00 0.00 H ATOM 1366 HD12 ILE A 84 23.192 10.952 11.049 1.00 0.00 H ATOM 1367 HD13 ILE A 84 23.310 9.198 10.763 1.00 0.00 H ATOM 1368 HG21 ILE A 84 24.725 13.160 13.587 1.00 0.00 H ATOM 1369 HG22 ILE A 84 25.376 12.670 12.003 1.00 0.00 H ATOM 1370 HG23 ILE A 84 23.635 12.505 12.340 1.00 0.00 H ATOM 1371 H ILE A 84 27.560 10.521 12.204 1.00 0.00 H ATOM 1372 N GLU A 85 25.903 9.259 15.623 1.00 19.53 N ATOM 1373 CA GLU A 85 25.939 7.934 16.202 1.00 18.95 C ATOM 1374 C GLU A 85 24.483 7.480 16.345 1.00 16.52 C ATOM 1375 O GLU A 85 23.638 8.246 16.778 1.00 17.21 O ATOM 1376 CB GLU A 85 26.618 7.942 17.581 1.00 21.89 C ATOM 1377 CG GLU A 85 28.093 8.333 17.521 1.00 29.08 C ATOM 1378 CD GLU A 85 29.005 7.459 18.389 1.00 32.17 C ATOM 1379 OE1 GLU A 85 28.701 7.268 19.591 1.00 35.15 O ATOM 1380 OE2 GLU A 85 30.042 6.970 17.865 1.00 36.13 O ATOM 1381 HA GLU A 85 26.514 7.261 15.566 1.00 0.00 H ATOM 1382 HB2 GLU A 85 26.096 8.654 18.221 1.00 0.00 H ATOM 1383 HB3 GLU A 85 26.541 6.944 18.012 1.00 0.00 H ATOM 1384 HG2 GLU A 85 28.427 8.255 16.486 1.00 0.00 H ATOM 1385 HG3 GLU A 85 28.188 9.366 17.855 1.00 0.00 H ATOM 1386 H GLU A 85 25.411 10.023 16.129 1.00 0.00 H ATOM 1387 N ARG A 86 24.189 6.253 15.938 1.00 15.43 N ATOM 1388 CA ARG A 86 22.844 5.694 16.081 1.00 14.81 C ATOM 1389 C ARG A 86 23.010 4.369 16.784 1.00 13.00 C ATOM 1390 O ARG A 86 23.942 3.636 16.498 1.00 14.99 O ATOM 1391 CB ARG A 86 22.188 5.491 14.717 1.00 14.75 C ATOM 1392 CG ARG A 86 21.748 6.793 14.081 1.00 15.42 C ATOM 1393 CD ARG A 86 20.770 7.509 15.025 1.00 17.00 C ATOM 1394 NE ARG A 86 20.328 8.786 14.472 1.00 15.97 N ATOM 1395 CZ ARG A 86 20.907 9.957 14.705 1.00 16.97 C ATOM 1396 NH1 ARG A 86 21.970 10.036 15.502 1.00 14.61 N ATOM 1397 NH2 ARG A 86 20.425 11.051 14.119 1.00 16.76 N ATOM 1398 HA ARG A 86 22.200 6.369 16.645 1.00 0.00 H ATOM 1399 HB2 ARG A 86 22.903 5.003 14.055 1.00 0.00 H ATOM 1400 HB3 ARG A 86 21.315 4.851 14.841 1.00 0.00 H ATOM 1401 HG2 ARG A 86 22.618 7.427 13.907 1.00 0.00 H ATOM 1402 HG3 ARG A 86 21.254 6.587 13.131 1.00 0.00 H ATOM 1403 HD2 ARG A 86 21.266 7.689 15.979 1.00 0.00 H ATOM 1404 HD3 ARG A 86 19.900 6.872 15.184 1.00 0.00 H ATOM 1405 HE ARG A 86 19.496 8.777 13.848 1.00 0.00 H ATOM 1406 HH12 ARG A 86 22.419 10.957 15.680 1.00 0.00 H ATOM 1407 HH11 ARG A 86 22.352 9.177 15.946 1.00 0.00 H ATOM 1408 HH22 ARG A 86 20.871 11.974 14.294 1.00 0.00 H ATOM 1409 HH21 ARG A 86 19.603 10.982 13.486 1.00 0.00 H ATOM 1410 H ARG A 86 24.935 5.672 15.505 1.00 0.00 H ATOM 1411 N THR A 87 22.091 4.044 17.684 1.00 14.48 N ATOM 1412 CA THR A 87 22.182 2.815 18.482 1.00 13.07 C ATOM 1413 C THR A 87 21.042 1.834 18.237 1.00 11.96 C ATOM 1414 O THR A 87 19.883 2.222 18.278 1.00 11.24 O ATOM 1415 CB THR A 87 22.208 3.192 19.982 1.00 14.28 C ATOM 1416 OG1 THR A 87 23.447 3.853 20.277 1.00 15.92 O ATOM 1417 CG2 THR A 87 22.041 1.983 20.860 1.00 13.79 C ATOM 1418 HA THR A 87 23.098 2.310 18.176 1.00 0.00 H ATOM 1419 HB THR A 87 21.371 3.860 20.187 1.00 0.00 H ATOM 1420 HG1 THR A 87 23.522 4.672 19.725 1.00 0.00 H ATOM 1421 HG23 THR A 87 21.097 1.492 20.625 1.00 0.00 H ATOM 1422 HG21 THR A 87 22.865 1.291 20.684 1.00 0.00 H ATOM 1423 HG22 THR A 87 22.041 2.292 21.905 1.00 0.00 H ATOM 1424 H THR A 87 21.281 4.680 17.829 1.00 0.00 H ATOM 1425 N PHE A 88 21.369 0.565 18.001 1.00 9.74 N ATOM 1426 CA PHE A 88 20.337 -0.436 17.726 1.00 9.98 C ATOM 1427 C PHE A 88 20.535 -1.676 18.580 1.00 13.12 C ATOM 1428 O PHE A 88 21.656 -1.977 19.015 1.00 11.79 O ATOM 1429 CB PHE A 88 20.395 -0.898 16.249 1.00 11.94 C ATOM 1430 CG PHE A 88 20.360 0.222 15.253 1.00 8.63 C ATOM 1431 CD1 PHE A 88 21.543 0.780 14.775 1.00 11.94 C ATOM 1432 CD2 PHE A 88 19.135 0.772 14.838 1.00 12.14 C ATOM 1433 CE1 PHE A 88 21.532 1.884 13.898 1.00 12.37 C ATOM 1434 CE2 PHE A 88 19.117 1.869 13.967 1.00 10.45 C ATOM 1435 CZ PHE A 88 20.310 2.427 13.499 1.00 10.97 C ATOM 1436 HA PHE A 88 19.380 0.036 17.949 1.00 0.00 H ATOM 1437 HB2 PHE A 88 21.318 -1.458 16.102 1.00 0.00 H ATOM 1438 HB3 PHE A 88 19.542 -1.550 16.061 1.00 0.00 H ATOM 1439 HD2 PHE A 88 18.198 0.344 15.194 1.00 0.00 H ATOM 1440 HE2 PHE A 88 18.163 2.292 13.651 1.00 0.00 H ATOM 1441 HZ PHE A 88 20.286 3.283 12.825 1.00 0.00 H ATOM 1442 HE1 PHE A 88 22.468 2.309 13.536 1.00 0.00 H ATOM 1443 HD1 PHE A 88 22.497 0.354 15.085 1.00 0.00 H ATOM 1444 H PHE A 88 22.370 0.282 18.012 1.00 0.00 H ATOM 1445 N HIS A 89 19.465 -2.414 18.830 1.00 12.03 N ATOM 1446 CA HIS A 89 19.656 -3.661 19.559 1.00 14.07 C ATOM 1447 C HIS A 89 18.759 -4.703 18.930 1.00 14.39 C ATOM 1448 O HIS A 89 17.704 -4.370 18.374 1.00 12.48 O ATOM 1449 CB HIS A 89 19.437 -3.481 21.079 1.00 18.28 C ATOM 1450 CG HIS A 89 18.128 -3.989 21.598 1.00 19.81 C ATOM 1451 ND1 HIS A 89 17.082 -3.154 21.921 1.00 23.42 N ATOM 1452 CD2 HIS A 89 17.707 -5.244 21.882 1.00 23.73 C ATOM 1453 CE1 HIS A 89 16.070 -3.869 22.378 1.00 21.59 C ATOM 1454 NE2 HIS A 89 16.425 -5.142 22.366 1.00 23.27 N ATOM 1455 HA HIS A 89 20.689 -3.999 19.479 1.00 0.00 H ATOM 1456 HB2 HIS A 89 20.235 -4.010 21.600 1.00 0.00 H ATOM 1457 HB3 HIS A 89 19.500 -2.417 21.306 1.00 0.00 H ATOM 1458 HD2 HIS A 89 18.278 -6.163 21.751 1.00 0.00 H ATOM 1459 HE1 HIS A 89 15.108 -3.477 22.708 1.00 0.00 H ATOM 1460 H HIS A 89 18.520 -2.114 18.517 1.00 0.00 H ATOM 1461 N VAL A 90 19.226 -5.946 18.949 1.00 13.69 N ATOM 1462 CA VAL A 90 18.497 -7.056 18.377 1.00 14.66 C ATOM 1463 C VAL A 90 18.293 -8.084 19.469 1.00 16.51 C ATOM 1464 O VAL A 90 18.689 -7.865 20.613 1.00 17.31 O ATOM 1465 CB VAL A 90 19.251 -7.645 17.152 1.00 15.09 C ATOM 1466 CG1 VAL A 90 19.187 -6.645 15.989 1.00 12.32 C ATOM 1467 CG2 VAL A 90 20.726 -7.886 17.500 1.00 13.20 C ATOM 1468 HA VAL A 90 17.527 -6.726 18.004 1.00 0.00 H ATOM 1469 HB VAL A 90 18.782 -8.589 16.874 1.00 0.00 H ATOM 1470 HG11 VAL A 90 18.145 -6.463 15.725 1.00 0.00 H ATOM 1471 HG12 VAL A 90 19.655 -5.708 16.291 1.00 0.00 H ATOM 1472 HG13 VAL A 90 19.715 -7.056 15.129 1.00 0.00 H ATOM 1473 HG21 VAL A 90 21.190 -6.941 17.784 1.00 0.00 H ATOM 1474 HG22 VAL A 90 20.792 -8.589 18.331 1.00 0.00 H ATOM 1475 HG23 VAL A 90 21.240 -8.299 16.632 1.00 0.00 H ATOM 1476 H VAL A 90 20.150 -6.128 19.391 1.00 0.00 H ATOM 1477 N GLU A 91 17.672 -9.203 19.135 1.00 18.71 N ATOM 1478 CA GLU A 91 17.360 -10.200 20.156 1.00 19.68 C ATOM 1479 C GLU A 91 18.479 -11.098 20.628 1.00 17.65 C ATOM 1480 O GLU A 91 18.504 -11.473 21.792 1.00 15.62 O ATOM 1481 CB GLU A 91 16.182 -11.083 19.711 1.00 20.39 C ATOM 1482 CG GLU A 91 14.874 -10.343 19.429 1.00 21.94 C ATOM 1483 CD GLU A 91 14.344 -9.590 20.636 1.00 25.59 C ATOM 1484 OE1 GLU A 91 14.302 -10.189 21.732 1.00 28.54 O ATOM 1485 OE2 GLU A 91 13.950 -8.408 20.491 1.00 24.56 O ATOM 1486 HA GLU A 91 17.119 -9.579 21.019 1.00 0.00 H ATOM 1487 HB2 GLU A 91 16.477 -11.603 18.800 1.00 0.00 H ATOM 1488 HB3 GLU A 91 15.992 -11.812 20.499 1.00 0.00 H ATOM 1489 HG2 GLU A 91 15.045 -9.630 18.623 1.00 0.00 H ATOM 1490 HG3 GLU A 91 14.124 -11.070 19.116 1.00 0.00 H ATOM 1491 H GLU A 91 17.406 -9.373 18.144 1.00 0.00 H ATOM 1492 N THR A 92 19.399 -11.448 19.741 1.00 17.94 N ATOM 1493 CA THR A 92 20.479 -12.345 20.119 1.00 16.66 C ATOM 1494 C THR A 92 21.844 -11.895 19.620 1.00 17.60 C ATOM 1495 O THR A 92 21.960 -11.142 18.642 1.00 15.47 O ATOM 1496 CB THR A 92 20.204 -13.772 19.586 1.00 17.50 C ATOM 1497 OG1 THR A 92 20.329 -13.771 18.164 1.00 17.71 O ATOM 1498 CG2 THR A 92 18.777 -14.223 19.939 1.00 18.50 C ATOM 1499 HA THR A 92 20.506 -12.334 21.209 1.00 0.00 H ATOM 1500 HB THR A 92 20.922 -14.453 20.043 1.00 0.00 H ATOM 1501 HG1 THR A 92 20.154 -14.682 17.818 1.00 0.00 H ATOM 1502 HG23 THR A 92 18.658 -14.232 21.022 1.00 0.00 H ATOM 1503 HG21 THR A 92 18.059 -13.531 19.499 1.00 0.00 H ATOM 1504 HG22 THR A 92 18.606 -15.225 19.545 1.00 0.00 H ATOM 1505 H THR A 92 19.348 -11.079 18.770 1.00 0.00 H ATOM 1506 N PRO A 93 22.914 -12.352 20.290 1.00 17.48 N ATOM 1507 CA PRO A 93 24.225 -11.922 19.799 1.00 19.27 C ATOM 1508 C PRO A 93 24.518 -12.505 18.419 1.00 19.45 C ATOM 1509 O PRO A 93 25.339 -11.971 17.686 1.00 18.31 O ATOM 1510 CB PRO A 93 25.191 -12.405 20.885 1.00 18.87 C ATOM 1511 CG PRO A 93 24.459 -13.553 21.530 1.00 18.79 C ATOM 1512 CD PRO A 93 23.023 -13.125 21.543 1.00 18.18 C ATOM 1513 HA PRO A 93 24.304 -10.846 19.647 1.00 0.00 H ATOM 1514 HD3 PRO A 93 22.354 -13.986 21.536 1.00 0.00 H ATOM 1515 HD2 PRO A 93 22.804 -12.503 22.411 1.00 0.00 H ATOM 1516 HG3 PRO A 93 24.821 -13.719 22.545 1.00 0.00 H ATOM 1517 HG2 PRO A 93 24.584 -14.466 20.947 1.00 0.00 H ATOM 1518 HB2 PRO A 93 26.132 -12.740 20.448 1.00 0.00 H ATOM 1519 HB3 PRO A 93 25.389 -11.614 21.609 1.00 0.00 H ATOM 1520 N GLU A 94 23.846 -13.600 18.064 1.00 21.51 N ATOM 1521 CA GLU A 94 24.036 -14.198 16.743 1.00 22.53 C ATOM 1522 C GLU A 94 23.505 -13.247 15.683 1.00 22.19 C ATOM 1523 O GLU A 94 24.134 -13.054 14.633 1.00 20.54 O ATOM 1524 CB GLU A 94 23.290 -15.537 16.617 1.00 23.60 C ATOM 1525 CG GLU A 94 23.887 -16.684 17.413 1.00 29.12 C ATOM 1526 CD GLU A 94 23.723 -16.533 18.925 1.00 32.93 C ATOM 1527 OE1 GLU A 94 22.572 -16.361 19.391 1.00 32.70 O ATOM 1528 OE2 GLU A 94 24.748 -16.600 19.649 1.00 34.93 O ATOM 1529 HA GLU A 94 25.102 -14.379 16.606 1.00 0.00 H ATOM 1530 HB2 GLU A 94 22.266 -15.387 16.957 1.00 0.00 H ATOM 1531 HB3 GLU A 94 23.284 -15.823 15.565 1.00 0.00 H ATOM 1532 HG2 GLU A 94 23.399 -17.608 17.104 1.00 0.00 H ATOM 1533 HG3 GLU A 94 24.951 -16.743 17.186 1.00 0.00 H ATOM 1534 H GLU A 94 23.179 -14.034 18.734 1.00 0.00 H ATOM 1535 N GLU A 95 22.347 -12.641 15.933 1.00 21.70 N ATOM 1536 CA GLU A 95 21.819 -11.726 14.926 1.00 21.68 C ATOM 1537 C GLU A 95 22.559 -10.418 14.907 1.00 19.21 C ATOM 1538 O GLU A 95 22.647 -9.773 13.866 1.00 15.71 O ATOM 1539 CB GLU A 95 20.316 -11.467 15.088 1.00 24.83 C ATOM 1540 CG GLU A 95 19.830 -11.196 16.470 1.00 30.97 C ATOM 1541 CD GLU A 95 18.300 -11.174 16.532 1.00 32.72 C ATOM 1542 OE1 GLU A 95 17.748 -11.410 17.615 1.00 34.64 O ATOM 1543 OE2 GLU A 95 17.648 -10.916 15.494 1.00 36.98 O ATOM 1544 HA GLU A 95 21.972 -12.229 13.971 1.00 0.00 H ATOM 1545 HB2 GLU A 95 20.061 -10.604 14.472 1.00 0.00 H ATOM 1546 HB3 GLU A 95 19.787 -12.345 14.718 1.00 0.00 H ATOM 1547 HG2 GLU A 95 20.201 -11.976 17.136 1.00 0.00 H ATOM 1548 HG3 GLU A 95 20.212 -10.229 16.797 1.00 0.00 H ATOM 1549 H GLU A 95 21.833 -12.814 16.820 1.00 0.00 H ATOM 1550 N ARG A 96 23.099 -10.019 16.047 1.00 17.07 N ATOM 1551 CA ARG A 96 23.849 -8.773 16.079 1.00 17.31 C ATOM 1552 C ARG A 96 25.074 -8.923 15.173 1.00 18.28 C ATOM 1553 O ARG A 96 25.433 -8.006 14.415 1.00 15.34 O ATOM 1554 CB ARG A 96 24.289 -8.434 17.512 1.00 15.18 C ATOM 1555 CG ARG A 96 25.241 -7.277 17.502 1.00 17.42 C ATOM 1556 CD ARG A 96 25.517 -6.751 18.880 1.00 19.03 C ATOM 1557 NE ARG A 96 26.288 -7.699 19.675 1.00 18.70 N ATOM 1558 CZ ARG A 96 26.654 -7.468 20.926 1.00 19.72 C ATOM 1559 NH1 ARG A 96 26.315 -6.327 21.497 1.00 16.35 N ATOM 1560 NH2 ARG A 96 27.341 -8.382 21.601 1.00 19.33 N ATOM 1561 HA ARG A 96 23.216 -7.959 15.726 1.00 0.00 H ATOM 1562 HB2 ARG A 96 23.413 -8.174 18.106 1.00 0.00 H ATOM 1563 HB3 ARG A 96 24.781 -9.301 17.952 1.00 0.00 H ATOM 1564 HG2 ARG A 96 26.181 -7.601 17.056 1.00 0.00 H ATOM 1565 HG3 ARG A 96 24.812 -6.476 16.901 1.00 0.00 H ATOM 1566 HD2 ARG A 96 24.569 -6.558 19.381 1.00 0.00 H ATOM 1567 HD3 ARG A 96 26.078 -5.820 18.797 1.00 0.00 H ATOM 1568 HE ARG A 96 26.564 -8.601 19.238 1.00 0.00 H ATOM 1569 HH12 ARG A 96 26.596 -6.133 22.479 1.00 0.00 H ATOM 1570 HH11 ARG A 96 25.767 -5.622 20.965 1.00 0.00 H ATOM 1571 HH22 ARG A 96 27.627 -8.197 22.584 1.00 0.00 H ATOM 1572 HH21 ARG A 96 27.593 -9.283 21.147 1.00 0.00 H ATOM 1573 H ARG A 96 22.989 -10.589 16.910 1.00 0.00 H ATOM 1574 N GLU A 97 25.707 -10.094 15.254 1.00 19.77 N ATOM 1575 CA GLU A 97 26.882 -10.398 14.445 1.00 22.53 C ATOM 1576 C GLU A 97 26.548 -10.409 12.953 1.00 23.34 C ATOM 1577 O GLU A 97 27.371 -10.002 12.135 1.00 22.91 O ATOM 1578 CB GLU A 97 27.470 -11.753 14.854 1.00 25.52 C ATOM 1579 CG GLU A 97 28.716 -11.644 15.734 1.00 31.04 C ATOM 1580 CD GLU A 97 29.882 -10.935 15.034 1.00 33.68 C ATOM 1581 OE1 GLU A 97 30.986 -10.896 15.618 1.00 35.57 O ATOM 1582 OE2 GLU A 97 29.705 -10.412 13.904 1.00 36.48 O ATOM 1583 HA GLU A 97 27.618 -9.614 14.622 1.00 0.00 H ATOM 1584 HB2 GLU A 97 26.708 -12.307 15.403 1.00 0.00 H ATOM 1585 HB3 GLU A 97 27.734 -12.301 13.949 1.00 0.00 H ATOM 1586 HG2 GLU A 97 28.459 -11.085 16.634 1.00 0.00 H ATOM 1587 HG3 GLU A 97 29.035 -12.649 16.011 1.00 0.00 H ATOM 1588 H GLU A 97 25.351 -10.814 15.915 1.00 0.00 H ATOM 1589 N GLU A 98 25.350 -10.880 12.606 1.00 22.81 N ATOM 1590 CA GLU A 98 24.925 -10.925 11.208 1.00 21.69 C ATOM 1591 C GLU A 98 24.787 -9.519 10.689 1.00 21.05 C ATOM 1592 O GLU A 98 25.111 -9.255 9.536 1.00 19.82 O ATOM 1593 CB GLU A 98 23.582 -11.635 11.051 1.00 26.00 C ATOM 1594 CG GLU A 98 23.553 -13.097 11.460 1.00 28.36 C ATOM 1595 CD GLU A 98 22.137 -13.634 11.485 1.00 32.47 C ATOM 1596 OE1 GLU A 98 21.867 -14.578 12.266 1.00 34.80 O ATOM 1597 OE2 GLU A 98 21.293 -13.106 10.725 1.00 34.41 O ATOM 1598 HA GLU A 98 25.677 -11.478 10.646 1.00 0.00 H ATOM 1599 HB2 GLU A 98 22.850 -11.103 11.659 1.00 0.00 H ATOM 1600 HB3 GLU A 98 23.293 -11.576 10.002 1.00 0.00 H ATOM 1601 HG2 GLU A 98 24.140 -13.677 10.748 1.00 0.00 H ATOM 1602 HG3 GLU A 98 23.988 -13.196 12.454 1.00 0.00 H ATOM 1603 H GLU A 98 24.704 -11.223 13.346 1.00 0.00 H ATOM 1604 N TRP A 99 24.282 -8.620 11.538 1.00 19.29 N ATOM 1605 CA TRP A 99 24.124 -7.219 11.165 1.00 16.97 C ATOM 1606 C TRP A 99 25.442 -6.464 11.097 1.00 16.01 C ATOM 1607 O TRP A 99 25.673 -5.714 10.161 1.00 13.39 O ATOM 1608 CB TRP A 99 23.189 -6.477 12.135 1.00 16.91 C ATOM 1609 CG TRP A 99 21.730 -6.603 11.813 1.00 15.78 C ATOM 1610 CD1 TRP A 99 20.791 -7.326 12.498 1.00 17.54 C ATOM 1611 CD2 TRP A 99 21.036 -5.977 10.720 1.00 15.84 C ATOM 1612 NE1 TRP A 99 19.556 -7.189 11.899 1.00 15.64 N ATOM 1613 CE2 TRP A 99 19.680 -6.367 10.807 1.00 16.63 C ATOM 1614 CE3 TRP A 99 21.433 -5.130 9.670 1.00 14.32 C ATOM 1615 CZ2 TRP A 99 18.709 -5.935 9.882 1.00 15.88 C ATOM 1616 CZ3 TRP A 99 20.463 -4.702 8.743 1.00 17.47 C ATOM 1617 CH2 TRP A 99 19.120 -5.106 8.860 1.00 16.62 C ATOM 1618 HA TRP A 99 23.688 -7.241 10.166 1.00 0.00 H ATOM 1619 HB2 TRP A 99 23.352 -6.875 13.137 1.00 0.00 H ATOM 1620 HB3 TRP A 99 23.451 -5.419 12.118 1.00 0.00 H ATOM 1621 HE1 TRP A 99 18.674 -7.636 12.222 1.00 0.00 H ATOM 1622 HD1 TRP A 99 20.990 -7.923 13.388 1.00 0.00 H ATOM 1623 HZ2 TRP A 99 17.668 -6.246 9.971 1.00 0.00 H ATOM 1624 HH2 TRP A 99 18.391 -4.757 8.129 1.00 0.00 H ATOM 1625 HZ3 TRP A 99 20.757 -4.048 7.922 1.00 0.00 H ATOM 1626 HE3 TRP A 99 22.471 -4.811 9.575 1.00 0.00 H ATOM 1627 H TRP A 99 23.994 -8.927 12.489 1.00 0.00 H ATOM 1628 N THR A 100 26.323 -6.643 12.077 1.00 16.01 N ATOM 1629 CA THR A 100 27.572 -5.903 12.019 1.00 16.30 C ATOM 1630 C THR A 100 28.498 -6.446 10.940 1.00 17.71 C ATOM 1631 O THR A 100 29.283 -5.695 10.345 1.00 16.40 O ATOM 1632 CB THR A 100 28.275 -5.879 13.392 1.00 17.88 C ATOM 1633 OG1 THR A 100 28.555 -7.213 13.816 1.00 16.28 O ATOM 1634 CG2 THR A 100 27.362 -5.216 14.424 1.00 15.43 C ATOM 1635 HA THR A 100 27.325 -4.875 11.752 1.00 0.00 H ATOM 1636 HB THR A 100 29.205 -5.318 13.303 1.00 0.00 H ATOM 1637 HG1 THR A 100 27.707 -7.719 13.891 1.00 0.00 H ATOM 1638 HG23 THR A 100 27.141 -4.196 14.110 1.00 0.00 H ATOM 1639 HG21 THR A 100 26.434 -5.782 14.503 1.00 0.00 H ATOM 1640 HG22 THR A 100 27.862 -5.199 15.392 1.00 0.00 H ATOM 1641 H THR A 100 26.124 -7.294 12.863 1.00 0.00 H ATOM 1642 N THR A 101 28.383 -7.738 10.656 1.00 15.45 N ATOM 1643 CA THR A 101 29.213 -8.337 9.622 1.00 17.40 C ATOM 1644 C THR A 101 28.707 -7.893 8.250 1.00 17.67 C ATOM 1645 O THR A 101 29.507 -7.559 7.353 1.00 17.96 O ATOM 1646 CB THR A 101 29.240 -9.889 9.758 1.00 18.21 C ATOM 1647 OG1 THR A 101 29.914 -10.218 10.974 1.00 22.45 O ATOM 1648 CG2 THR A 101 30.036 -10.544 8.631 1.00 17.82 C ATOM 1649 HA THR A 101 30.242 -7.995 9.738 1.00 0.00 H ATOM 1650 HB THR A 101 28.210 -10.245 9.731 1.00 0.00 H ATOM 1651 HG1 THR A 101 29.428 -9.817 11.738 1.00 0.00 H ATOM 1652 HG23 THR A 101 29.561 -10.322 7.676 1.00 0.00 H ATOM 1653 HG21 THR A 101 31.053 -10.153 8.632 1.00 0.00 H ATOM 1654 HG22 THR A 101 30.060 -11.623 8.784 1.00 0.00 H ATOM 1655 H THR A 101 27.697 -8.324 11.174 1.00 0.00 H ATOM 1656 N ALA A 102 27.383 -7.846 8.094 1.00 15.87 N ATOM 1657 CA ALA A 102 26.801 -7.403 6.829 1.00 15.60 C ATOM 1658 C ALA A 102 27.129 -5.941 6.565 1.00 15.26 C ATOM 1659 O ALA A 102 27.501 -5.572 5.442 1.00 15.39 O ATOM 1660 CB ALA A 102 25.278 -7.614 6.849 1.00 11.91 C ATOM 1661 HA ALA A 102 27.231 -7.998 6.023 1.00 0.00 H ATOM 1662 HB1 ALA A 102 25.061 -8.672 6.993 1.00 0.00 H ATOM 1663 HB2 ALA A 102 24.843 -7.038 7.666 1.00 0.00 H ATOM 1664 HB3 ALA A 102 24.854 -7.281 5.902 1.00 0.00 H ATOM 1665 H ALA A 102 26.760 -8.127 8.878 1.00 0.00 H ATOM 1666 N ILE A 103 27.001 -5.098 7.592 1.00 14.78 N ATOM 1667 CA ILE A 103 27.298 -3.671 7.430 1.00 13.78 C ATOM 1668 C ILE A 103 28.764 -3.428 7.038 1.00 14.15 C ATOM 1669 O ILE A 103 29.065 -2.719 6.071 1.00 14.43 O ATOM 1670 CB ILE A 103 26.968 -2.872 8.747 1.00 13.19 C ATOM 1671 CG1 ILE A 103 25.452 -2.889 9.002 1.00 14.64 C ATOM 1672 CG2 ILE A 103 27.406 -1.423 8.610 1.00 8.01 C ATOM 1673 CD1 ILE A 103 25.051 -2.460 10.432 1.00 13.00 C ATOM 1674 HA ILE A 103 26.663 -3.311 6.620 1.00 0.00 H ATOM 1675 HB ILE A 103 27.499 -3.345 9.573 1.00 0.00 H ATOM 1676 HG12 ILE A 103 24.977 -2.210 8.294 1.00 0.00 H ATOM 1677 HG13 ILE A 103 25.087 -3.902 8.832 1.00 0.00 H ATOM 1678 HD11 ILE A 103 25.507 -3.137 11.154 1.00 0.00 H ATOM 1679 HD12 ILE A 103 25.398 -1.443 10.616 1.00 0.00 H ATOM 1680 HD13 ILE A 103 23.966 -2.499 10.531 1.00 0.00 H ATOM 1681 HG21 ILE A 103 28.480 -1.385 8.430 1.00 0.00 H ATOM 1682 HG22 ILE A 103 26.880 -0.963 7.773 1.00 0.00 H ATOM 1683 HG23 ILE A 103 27.171 -0.885 9.528 1.00 0.00 H ATOM 1684 H ILE A 103 26.687 -5.457 8.516 1.00 0.00 H ATOM 1685 N GLN A 104 29.684 -4.030 7.775 1.00 14.03 N ATOM 1686 CA GLN A 104 31.101 -3.857 7.481 1.00 16.11 C ATOM 1687 C GLN A 104 31.448 -4.297 6.057 1.00 16.36 C ATOM 1688 O GLN A 104 32.170 -3.605 5.344 1.00 15.42 O ATOM 1689 CB GLN A 104 31.946 -4.653 8.468 1.00 19.11 C ATOM 1690 CG GLN A 104 33.417 -4.313 8.333 1.00 19.31 C ATOM 1691 CD GLN A 104 33.662 -2.849 8.620 1.00 20.27 C ATOM 1692 OE1 GLN A 104 33.553 -2.404 9.766 1.00 19.60 O ATOM 1693 NE2 GLN A 104 33.985 -2.087 7.581 1.00 21.16 N ATOM 1694 HA GLN A 104 31.320 -2.793 7.574 1.00 0.00 H ATOM 1695 HB2 GLN A 104 31.620 -4.422 9.482 1.00 0.00 H ATOM 1696 HB3 GLN A 104 31.808 -5.717 8.276 1.00 0.00 H ATOM 1697 HG2 GLN A 104 33.989 -4.916 9.039 1.00 0.00 H ATOM 1698 HG3 GLN A 104 33.743 -4.537 7.318 1.00 0.00 H ATOM 1699 HE22 GLN A 104 34.065 -2.507 6.633 1.00 0.00 H ATOM 1700 HE21 GLN A 104 34.158 -1.070 7.716 1.00 0.00 H ATOM 1701 H GLN A 104 29.393 -4.632 8.571 1.00 0.00 H ATOM 1702 N THR A 105 30.940 -5.459 5.666 1.00 17.02 N ATOM 1703 CA THR A 105 31.160 -6.015 4.331 1.00 19.10 C ATOM 1704 C THR A 105 30.718 -5.017 3.246 1.00 19.77 C ATOM 1705 O THR A 105 31.392 -4.842 2.214 1.00 18.37 O ATOM 1706 CB THR A 105 30.359 -7.335 4.157 1.00 20.81 C ATOM 1707 OG1 THR A 105 30.968 -8.370 4.946 1.00 22.28 O ATOM 1708 CG2 THR A 105 30.329 -7.768 2.686 1.00 21.78 C ATOM 1709 HA THR A 105 32.226 -6.215 4.224 1.00 0.00 H ATOM 1710 HB THR A 105 29.335 -7.165 4.489 1.00 0.00 H ATOM 1711 HG1 THR A 105 30.963 -8.103 5.899 1.00 0.00 H ATOM 1712 HG23 THR A 105 29.867 -6.983 2.087 1.00 0.00 H ATOM 1713 HG21 THR A 105 31.348 -7.940 2.338 1.00 0.00 H ATOM 1714 HG22 THR A 105 29.751 -8.687 2.591 1.00 0.00 H ATOM 1715 H THR A 105 30.359 -5.999 6.339 1.00 0.00 H ATOM 1716 N VAL A 106 29.590 -4.358 3.484 1.00 17.19 N ATOM 1717 CA VAL A 106 29.098 -3.400 2.514 1.00 17.53 C ATOM 1718 C VAL A 106 30.033 -2.211 2.468 1.00 17.83 C ATOM 1719 O VAL A 106 30.375 -1.730 1.380 1.00 16.65 O ATOM 1720 CB VAL A 106 27.655 -2.943 2.847 1.00 16.12 C ATOM 1721 CG1 VAL A 106 27.334 -1.631 2.138 1.00 14.66 C ATOM 1722 CG2 VAL A 106 26.682 -4.027 2.435 1.00 14.03 C ATOM 1723 HA VAL A 106 29.068 -3.881 1.536 1.00 0.00 H ATOM 1724 HB VAL A 106 27.567 -2.773 3.920 1.00 0.00 H ATOM 1725 HG11 VAL A 106 28.034 -0.862 2.465 1.00 0.00 H ATOM 1726 HG12 VAL A 106 27.422 -1.771 1.061 1.00 0.00 H ATOM 1727 HG13 VAL A 106 26.317 -1.326 2.384 1.00 0.00 H ATOM 1728 HG21 VAL A 106 26.772 -4.206 1.364 1.00 0.00 H ATOM 1729 HG22 VAL A 106 26.910 -4.944 2.978 1.00 0.00 H ATOM 1730 HG23 VAL A 106 25.666 -3.709 2.668 1.00 0.00 H ATOM 1731 H VAL A 106 29.061 -4.529 4.363 1.00 0.00 H ATOM 1732 N ALA A 107 30.458 -1.743 3.642 1.00 17.30 N ATOM 1733 CA ALA A 107 31.379 -0.608 3.705 1.00 18.95 C ATOM 1734 C ALA A 107 32.679 -0.967 2.989 1.00 19.69 C ATOM 1735 O ALA A 107 33.197 -0.171 2.210 1.00 20.51 O ATOM 1736 CB ALA A 107 31.654 -0.217 5.166 1.00 16.79 C ATOM 1737 HA ALA A 107 30.925 0.249 3.208 1.00 0.00 H ATOM 1738 HB1 ALA A 107 30.717 0.060 5.649 1.00 0.00 H ATOM 1739 HB2 ALA A 107 32.098 -1.063 5.690 1.00 0.00 H ATOM 1740 HB3 ALA A 107 32.341 0.629 5.191 1.00 0.00 H ATOM 1741 H ALA A 107 30.131 -2.190 4.523 1.00 0.00 H ATOM 1742 N ASP A 108 33.201 -2.165 3.238 1.00 20.57 N ATOM 1743 CA ASP A 108 34.437 -2.592 2.571 1.00 23.21 C ATOM 1744 C ASP A 108 34.236 -2.667 1.041 1.00 24.10 C ATOM 1745 O ASP A 108 35.140 -2.348 0.274 1.00 25.53 O ATOM 1746 CB ASP A 108 34.910 -3.964 3.093 1.00 21.43 C ATOM 1747 CG ASP A 108 35.325 -3.938 4.562 1.00 23.91 C ATOM 1748 OD1 ASP A 108 35.571 -2.847 5.129 1.00 24.25 O ATOM 1749 OD2 ASP A 108 35.414 -5.035 5.158 1.00 24.11 O ATOM 1750 HA ASP A 108 35.201 -1.849 2.798 1.00 0.00 H ATOM 1751 HB2 ASP A 108 34.096 -4.679 2.975 1.00 0.00 H ATOM 1752 HB3 ASP A 108 35.764 -4.286 2.497 1.00 0.00 H ATOM 1753 H ASP A 108 32.730 -2.804 3.910 1.00 0.00 H ATOM 1754 N GLY A 109 33.058 -3.099 0.611 1.00 24.69 N ATOM 1755 CA GLY A 109 32.759 -3.178 -0.814 1.00 25.10 C ATOM 1756 C GLY A 109 32.695 -1.813 -1.494 1.00 25.63 C ATOM 1757 O GLY A 109 33.109 -1.664 -2.650 1.00 25.17 O ATOM 1758 HA3 GLY A 109 31.796 -3.673 -0.939 1.00 0.00 H ATOM 1759 HA2 GLY A 109 33.535 -3.770 -1.298 1.00 0.00 H ATOM 1760 H GLY A 109 32.335 -3.386 1.302 1.00 0.00 H ATOM 1761 N LEU A 110 32.161 -0.807 -0.801 1.00 26.09 N ATOM 1762 CA LEU A 110 32.106 0.532 -1.378 1.00 27.46 C ATOM 1763 C LEU A 110 33.529 1.066 -1.522 1.00 28.70 C ATOM 1764 O LEU A 110 33.885 1.635 -2.565 1.00 28.25 O ATOM 1765 CB LEU A 110 31.292 1.494 -0.505 1.00 26.64 C ATOM 1766 CG LEU A 110 29.772 1.526 -0.707 1.00 28.00 C ATOM 1767 CD1 LEU A 110 29.442 1.895 -2.159 1.00 26.23 C ATOM 1768 CD2 LEU A 110 29.182 0.180 -0.366 1.00 25.02 C ATOM 1769 HA LEU A 110 31.616 0.466 -2.350 1.00 0.00 H ATOM 1770 HB2 LEU A 110 31.477 1.226 0.535 1.00 0.00 H ATOM 1771 HB3 LEU A 110 31.667 2.500 -0.692 1.00 0.00 H ATOM 1772 HG LEU A 110 29.341 2.279 -0.048 1.00 0.00 H ATOM 1773 HD21 LEU A 110 29.616 -0.581 -1.015 1.00 0.00 H ATOM 1774 HD22 LEU A 110 29.403 -0.059 0.674 1.00 0.00 H ATOM 1775 HD23 LEU A 110 28.102 0.211 -0.512 1.00 0.00 H ATOM 1776 HD11 LEU A 110 29.855 2.878 -2.386 1.00 0.00 H ATOM 1777 HD12 LEU A 110 29.877 1.154 -2.829 1.00 0.00 H ATOM 1778 HD13 LEU A 110 28.360 1.915 -2.291 1.00 0.00 H ATOM 1779 H LEU A 110 31.783 -0.977 0.153 1.00 0.00 H ATOM 1780 N LYS A 111 34.347 0.877 -0.487 1.00 29.83 N ATOM 1781 CA LYS A 111 35.733 1.345 -0.537 1.00 32.05 C ATOM 1782 C LYS A 111 36.460 0.717 -1.723 1.00 33.03 C ATOM 1783 O LYS A 111 37.016 1.429 -2.561 1.00 33.22 O ATOM 1784 CB LYS A 111 36.467 1.014 0.767 1.00 31.22 C ATOM 1785 HA LYS A 111 35.723 2.428 -0.660 1.00 0.00 H ATOM 1786 HB2 LYS A 111 35.961 1.501 1.601 1.00 0.00 H ATOM 1787 HB3 LYS A 111 36.465 -0.065 0.919 1.00 0.00 H ATOM 1788 H LYS A 111 33.997 0.392 0.364 1.00 0.00 H ATOM 1789 N LYS A 112 36.453 -0.612 -1.799 1.00 34.61 N ATOM 1790 CA LYS A 112 37.122 -1.310 -2.888 1.00 37.08 C ATOM 1791 C LYS A 112 36.527 -0.926 -4.230 1.00 39.36 C ATOM 1792 O LYS A 112 37.163 -1.103 -5.274 1.00 40.13 O ATOM 1793 CB LYS A 112 37.030 -2.827 -2.687 1.00 37.02 C ATOM 1794 HA LYS A 112 38.171 -1.014 -2.882 1.00 0.00 H ATOM 1795 HB2 LYS A 112 37.508 -3.097 -1.745 1.00 0.00 H ATOM 1796 HB3 LYS A 112 35.982 -3.126 -2.663 1.00 0.00 H ATOM 1797 H LYS A 112 35.960 -1.162 -1.067 1.00 0.00 H ATOM 1798 N GLN A 113 35.307 -0.400 -4.201 1.00 41.56 N ATOM 1799 CA GLN A 113 34.633 -0.003 -5.428 1.00 43.87 C ATOM 1800 C GLN A 113 35.239 1.279 -5.946 1.00 44.66 C ATOM 1801 O GLN A 113 35.095 1.583 -7.130 1.00 45.08 O ATOM 1802 CB GLN A 113 33.126 0.189 -5.219 1.00 45.40 C ATOM 1803 CG GLN A 113 32.363 0.534 -6.504 1.00 47.03 C ATOM 1804 CD GLN A 113 30.873 0.704 -6.257 1.00 49.19 C ATOM 1805 OE1 GLN A 113 30.462 1.470 -5.381 1.00 49.39 O ATOM 1806 NE2 GLN A 113 30.054 -0.007 -7.032 1.00 50.55 N ATOM 1807 HA GLN A 113 34.768 -0.804 -6.155 1.00 0.00 H ATOM 1808 HB2 GLN A 113 32.715 -0.735 -4.812 1.00 0.00 H ATOM 1809 HB3 GLN A 113 32.978 0.998 -4.503 1.00 0.00 H ATOM 1810 HG2 GLN A 113 32.761 1.464 -6.910 1.00 0.00 H ATOM 1811 HG3 GLN A 113 32.510 -0.269 -7.227 1.00 0.00 H ATOM 1812 HE22 GLN A 113 30.445 -0.641 -7.758 1.00 0.00 H ATOM 1813 HE21 GLN A 113 29.024 0.072 -6.910 1.00 0.00 H ATOM 1814 H GLN A 113 34.827 -0.270 -3.288 1.00 0.00 H ATOM 1815 N GLU A 114 35.913 2.037 -5.079 1.00 45.18 N ATOM 1816 CA GLU A 114 36.563 3.259 -5.538 1.00 45.98 C ATOM 1817 C GLU A 114 37.582 2.782 -6.571 1.00 46.50 C ATOM 1818 O GLU A 114 38.305 3.578 -7.160 1.00 47.22 O ATOM 1819 CB GLU A 114 37.264 3.963 -4.388 1.00 46.03 C ATOM 1820 HA GLU A 114 35.852 3.975 -5.950 1.00 0.00 H ATOM 1821 HB2 GLU A 114 36.533 4.220 -3.621 1.00 0.00 H ATOM 1822 HB3 GLU A 114 38.019 3.301 -3.964 1.00 0.00 H ATOM 1823 H GLU A 114 35.975 1.757 -4.079 1.00 0.00 H ATOM 1824 N GLU A 115 37.593 1.458 -6.774 1.00 47.20 N ATOM 1825 CA GLU A 115 38.468 0.696 -7.695 1.00 47.00 C ATOM 1826 C GLU A 115 39.466 1.476 -8.526 1.00 46.88 C ATOM 1827 O GLU A 115 40.479 1.905 -7.936 1.00 45.96 O ATOM 1828 CB GLU A 115 37.615 -0.190 -8.638 1.00 47.11 C ATOM 1829 HA GLU A 115 39.084 0.112 -7.011 1.00 0.00 H ATOM 1830 HB2 GLU A 115 37.027 -0.890 -8.044 1.00 0.00 H ATOM 1831 HB3 GLU A 115 36.947 0.442 -9.223 1.00 0.00 H ATOM 1832 H GLU A 115 36.909 0.902 -6.222 1.00 0.00 H ATOM 1833 N GLU A 116 39.229 1.624 -9.759 1.00 46.76 N ATOM 1834 HN3 GLU A 116 39.990 1.182 -10.313 1.00 0.00 H ATOM 1835 HN2 GLU A 116 39.181 2.639 -9.982 1.00 0.00 H ATOM 1836 HN1 GLU A 116 38.322 1.173 -9.993 1.00 0.00 H TER 1837 GLU A 116 HETATM 1838 O HOH 1 16.141 -10.873 11.490 1.00 34.02 O HETATM 1839 O HOH 2 17.517 -7.194 -3.478 1.00 25.19 O HETATM 1840 O HOH 3 17.150 -8.114 12.803 1.00 17.36 O HETATM 1841 O HOH 4 13.851 -9.871 11.706 1.00 15.78 O HETATM 1842 O HOH 5 8.754 -9.892 9.369 1.00 26.75 O HETATM 1843 O HOH 6 15.534 -7.940 16.352 1.00 41.22 O HETATM 1844 O HOH 7 7.217 10.387 9.867 1.00 28.72 O HETATM 1845 O HOH 8 29.095 6.141 -3.504 1.00 42.23 O HETATM 1846 O HOH 9 20.162 5.091 26.243 1.00 41.54 O HETATM 1847 O HOH 10 19.813 5.932 18.043 1.00 20.52 O HETATM 1848 O HOH 11 9.976 -1.095 23.034 1.00 29.78 O HETATM 1849 O HOH 12 8.172 8.174 13.484 1.00 36.58 O HETATM 1850 O HOH 13 19.682 3.448 -2.892 1.00 30.65 O HETATM 1851 O HOH 14 25.121 -8.497 -2.684 1.00 32.45 O HETATM 1852 O HOH 15 25.785 5.048 -2.510 1.00 27.83 O HETATM 1853 O HOH 16 22.993 6.037 1.038 1.00 25.62 O HETATM 1854 O HOH 17 7.133 3.413 8.243 1.00 26.35 O HETATM 1855 O HOH 18 -0.058 0.011 11.095 1.00 24.64 O HETATM 1856 O HOH 19 5.899 0.201 5.844 1.00 25.55 O HETATM 1857 O HOH 20 3.739 -4.556 11.991 1.00 37.32 O HETATM 1858 O HOH 21 5.457 -5.710 9.291 1.00 25.43 O HETATM 1859 O HOH 22 0.167 5.072 -6.682 1.00 45.29 O HETATM 1860 O HOH 23 14.793 7.346 0.431 1.00 25.01 O HETATM 1861 O HOH 24 21.377 7.502 2.603 1.00 22.37 O HETATM 1862 O HOH 25 25.652 5.309 1.171 1.00 37.70 O HETATM 1863 O HOH 26 34.141 1.054 7.653 1.00 32.21 O HETATM 1864 O HOH 27 34.001 -2.975 14.039 1.00 29.26 O HETATM 1865 O HOH 28 34.490 -0.303 13.329 1.00 29.21 O HETATM 1866 O HOH 29 25.298 10.721 3.982 1.00 17.27 O HETATM 1867 O HOH 30 24.265 8.646 7.381 1.00 18.16 O HETATM 1868 O HOH 31 30.017 6.775 21.977 1.00 40.74 O HETATM 1869 O HOH 32 24.782 11.487 16.856 1.00 18.74 O HETATM 1870 O HOH 33 26.438 7.099 20.873 1.00 25.98 O HETATM 1871 O HOH 34 19.787 13.624 17.674 1.00 31.51 O HETATM 1872 O HOH 35 23.422 6.265 19.578 1.00 27.10 O HETATM 1873 O HOH 36 15.215 -13.353 22.639 1.00 32.94 O HETATM 1874 O HOH 37 19.760 -14.386 22.970 1.00 34.67 O HETATM 1875 O HOH 38 15.050 -6.582 18.618 1.00 16.93 O HETATM 1876 O HOH 39 19.485 -15.608 16.463 1.00 34.01 O HETATM 1877 O HOH 40 27.309 -10.328 18.644 1.00 23.08 O HETATM 1878 O HOH 41 27.327 -14.568 17.692 1.00 32.86 O HETATM 1879 O HOH 42 25.750 -16.974 23.123 1.00 37.68 O HETATM 1880 O HOH 43 14.057 -10.461 15.360 1.00 40.09 O HETATM 1881 O HOH 44 19.277 -13.664 14.479 1.00 40.60 O HETATM 1882 O HOH 45 25.258 -11.378 7.620 1.00 28.80 O HETATM 1883 O HOH 46 19.899 -16.007 13.952 1.00 26.93 O HETATM 1884 O HOH 47 33.743 -3.984 11.752 1.00 25.07 O HETATM 1885 O HOH 48 32.949 -7.005 0.841 1.00 34.96 O HETATM 1886 O HOH 49 29.307 -2.465 -0.868 1.00 29.13 O HETATM 1887 O HOH 50 32.959 2.389 2.653 1.00 24.98 O HETATM 1888 O HOH 51 34.088 -7.238 5.577 1.00 30.59 O HETATM 1889 O HOH 52 36.640 3.942 -9.870 1.00 48.35 O HETATM 1890 O HOH 53 14.239 14.470 21.422 1.00 27.11 O HETATM 1891 OAE GVF A 54 12.566 7.794 13.192 1.00 -0.67 O HETATM 1892 PAH GVF A 54 12.703 8.478 14.641 1.00 0.13 P HETATM 1893 OAG GVF A 54 13.858 7.646 15.393 1.00 -0.67 O HETATM 1894 OAI GVF A 54 11.417 8.432 15.371 1.00 -0.67 O HETATM 1895 OAM GVF A 54 13.212 9.985 14.378 1.00 -0.19 O HETATM 1896 CAL GVF A 54 14.258 10.406 15.140 1.00 0.35 C HETATM 1897 CAP GVF A 54 14.083 10.899 16.435 1.00 0.35 C HETATM 1898 OAQ GVF A 54 12.935 10.660 17.129 1.00 -0.19 O HETATM 1899 PAT GVF A 54 11.673 11.558 16.682 1.00 0.13 P HETATM 1900 OAS GVF A 54 12.149 12.580 15.533 1.00 -0.67 O HETATM 1901 OAY GVF A 54 10.660 10.506 16.003 1.00 -0.67 O HETATM 1902 OAU GVF A 54 11.024 12.243 17.820 1.00 -0.67 O HETATM 1903 CAO GVF A 54 15.132 11.551 17.078 1.00 0.35 C HETATM 1904 OAR GVF A 54 14.906 12.256 18.223 1.00 -0.11 O HETATM 1905 PAW GVF A 54 14.785 11.402 19.585 1.00 0.19 P HETATM 1906 OAV GVF A 54 13.223 11.256 19.935 1.00 -0.66 O HETATM 1907 OAZ GVF A 54 15.302 9.911 19.267 1.00 -0.66 O HETATM 1908 OAX GVF A 54 15.517 12.056 20.692 1.00 -0.66 O HETATM 1909 CAN GVF A 54 16.364 11.671 16.443 1.00 0.13 C HETATM 1910 CAJ GVF A 54 16.552 11.162 15.158 1.00 0.13 C HETATM 1911 CAK GVF A 54 15.494 10.534 14.510 1.00 0.35 C HETATM 1912 OAF GVF A 54 15.553 10.093 13.224 1.00 -0.11 O HETATM 1913 PAC GVF A 54 16.993 9.709 12.614 1.00 0.19 P HETATM 1914 OAB GVF A 54 17.856 11.064 12.519 1.00 -0.66 O HETATM 1915 OAA GVF A 54 16.635 9.252 11.114 1.00 -0.66 O HETATM 1916 OAD GVF A 54 17.685 8.635 13.359 1.00 -0.66 O HETATM 1917 H GVF A 54 17.520 11.256 14.666 1.00 0.12 H HETATM 1918 H GVF A 54 17.189 12.167 16.954 1.00 0.12 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1833 1826 1834 1835 1836 CONECT 1834 1833 CONECT 1835 1833 CONECT 1836 1833 CONECT 1891 1892 CONECT 1892 1891 1893 1894 1895 CONECT 1893 1892 CONECT 1894 1892 CONECT 1895 1892 1896 CONECT 1896 1895 1897 1911 CONECT 1897 1896 1898 1903 CONECT 1898 1897 1899 CONECT 1899 1898 1900 1901 1902 CONECT 1900 1899 CONECT 1901 1899 CONECT 1902 1899 CONECT 1903 1897 1904 1909 CONECT 1904 1903 1905 CONECT 1905 1904 1906 1907 1908 CONECT 1906 1905 CONECT 1907 1905 CONECT 1908 1905 CONECT 1909 1903 1910 1918 CONECT 1910 1909 1911 1917 CONECT 1911 1896 1910 1912 CONECT 1912 1911 1913 CONECT 1913 1912 1914 1915 1916 CONECT 1914 1913 CONECT 1915 1913 CONECT 1916 1913 CONECT 1917 1910 CONECT 1918 1909 MASTER 0 0 0 0 0 0 0 0 1917 1 36 9 END
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Related entries of code: 2uvm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3o96
RCSB PDB
PDBbind
446aa, >3O96_1|Chain... at 98%
4ejn
RCSB PDB
PDBbind
446aa, >4EJN_1|Chain... at 100%
5kcv
RCSB PDB
PDBbind
460aa, >5KCV_1|Chain... *
6hhj
RCSB PDB
PDBbind
446aa, >6HHJ_1|Chain... at 100%
6hhh
RCSB PDB
PDBbind
446aa, >6HHH_1|Chain... at 100%
6hhi
RCSB PDB
PDBbind
446aa, >6HHI_1|Chain... at 100%
6hhg
RCSB PDB
PDBbind
446aa, >6HHG_1|Chain... at 100%
6s9w
RCSB PDB
PDBbind
446aa, >6S9W_1|Chain... at 100%
6s9x
RCSB PDB
PDBbind
446aa, >6S9X_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2uvm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE, PKB-alpha PH domain
Ligand Name
GVF
EC.Number
E.C.2.7.11.1
Resolution
1.94(Å)
Affinity (Kd/Ki/IC50)
Ki=0.08uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Acs Chem.Biol. Vol. 2: pp. 242-246
Ligand Properties
Formula
C
6
H
1
4
O
1
6
P
4
Molecular Weight
466.061
Exact Mass
465.923
No. of atoms
40
No. of bonds
40
Polar Surface Area
334.04
LOGP Value
-5.37 (
Computed with XLOGP3
)
-2.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 1
Canonical SMILES
OP(Oc1c(ccc(c1OP(O)(O)O)OP(O)(O)O)OP(O)(O)O)(O)O
InChI String
InChI=1S/C6H18O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2,7-18,23-26H
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P31749
Entrez Gene ID
NCBI Entrez Gene ID:
207
ASD
Information of known allosteric effects of PDB entries
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