Browse entries in the PDBbind-CN Database
HEADER 5JF2_COMPLEX COMPND 5JF2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 ALA ALA ILE ASP LYS LEU VAL LYS ALA SER HIS LEU ILE SEQRES 2 A 129 ASP MET ASN ASP ILE ILE ARG GLU GLY ASN PRO THR LEU SEQRES 3 A 129 ARG LYS VAL ALA GLU GLU VAL THR PHE PRO LEU SER GLU SEQRES 4 A 129 LYS GLU GLU ILE LEU GLY GLU LYS MET MET GLN PHE LEU SEQRES 5 A 129 LYS HIS SER GLN ASP PRO ILE MET ALA GLU LYS LEU GLY SEQRES 6 A 129 LEU ARG GLY GLY VAL GLY LEU ALA ALA PRO GLN LEU ASP SEQRES 7 A 129 ILE SER LYS ARG ILE ILE ALA VAL LEU VAL PRO ASN VAL SEQRES 8 A 129 GLU ASP ALA GLN GLY ASN PRO PRO LYS GLU ALA TYR SER SEQRES 9 A 129 LEU GLN GLU VAL MET TYR ASN PRO LYS VAL VAL SER HIS SEQRES 10 A 129 SER VAL GLN ASP ALA ALA LEU SER ASP GLY GLU GLY SEQRES 1 A 73 LEU SER VAL ASP ARG GLU VAL PRO GLY TYR VAL VAL ARG SEQRES 2 A 73 HIS ALA ARG VAL THR ILE GLU TYR PHE ASP LYS THR GLY SEQRES 3 A 73 GLU LYS HIS ARG LEU LYS LEU LYS GLY TYR ASN SER ILE SEQRES 4 A 73 VAL VAL GLN HIS GLU ILE ASP HIS ILE ASP GLY ILE MET SEQRES 5 A 73 PHE TYR ASP ARG ILE ASN GLU LYS ASN PRO PHE ALA VAL SEQRES 6 A 73 LYS GLU GLY LEU LEU ILE LEU GLU HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ZN A 5 1 HET ZN A 6 1 HET ZN A 7 1 HET ZN A 8 1 HET SF A 7 30 ATOM 1 N ALA A 2 1.378 -19.024 28.295 1.00 43.49 N ATOM 2 CA ALA A 2 1.945 -18.006 27.392 1.00 42.26 C ATOM 3 C ALA A 2 0.894 -16.923 27.145 1.00 41.02 C ATOM 4 O ALA A 2 -0.100 -16.826 27.864 1.00 41.66 O ATOM 5 CB ALA A 2 2.358 -18.653 26.070 1.00 41.45 C ATOM 6 HN3 ALA A 2 0.535 -19.445 27.855 1.00 0.00 H ATOM 7 HN2 ALA A 2 1.114 -18.578 29.196 1.00 0.00 H ATOM 8 HN1 ALA A 2 2.087 -19.765 28.469 1.00 0.00 H ATOM 9 N ALA A 3 1.118 -16.136 26.120 1.00 39.09 N ATOM 10 CA ALA A 3 0.211 -15.031 25.809 1.00 37.03 C ATOM 11 C ALA A 3 -1.175 -15.539 25.398 1.00 35.60 C ATOM 12 O ALA A 3 -2.207 -14.937 25.714 1.00 35.40 O ATOM 13 CB ALA A 3 0.765 -14.185 24.656 1.00 36.34 C ATOM 14 H ALA A 3 1.952 -16.300 25.520 1.00 0.00 H ATOM 15 N ILE A 4 -1.226 -16.687 24.701 1.00 34.22 N ATOM 16 CA ILE A 4 -2.552 -17.122 24.253 1.00 32.98 C ATOM 17 C ILE A 4 -3.440 -17.556 25.450 1.00 33.32 C ATOM 18 O ILE A 4 -4.651 -17.361 25.440 1.00 33.07 O ATOM 19 CB ILE A 4 -2.466 -18.298 23.260 1.00 32.31 C ATOM 20 CG1 ILE A 4 -3.851 -18.621 22.670 1.00 30.66 C ATOM 21 CG2 ILE A 4 -1.937 -19.597 23.889 1.00 33.41 C ATOM 22 CD1 ILE A 4 -3.802 -19.364 21.336 1.00 32.76 C ATOM 23 H ILE A 4 -0.369 -17.238 24.491 1.00 0.00 H ATOM 24 N ASP A 5 -2.838 -18.128 26.503 1.00 34.20 N ATOM 25 CA ASP A 5 -3.595 -18.601 27.686 1.00 35.68 C ATOM 26 C ASP A 5 -4.284 -17.408 28.391 1.00 34.71 C ATOM 27 O ASP A 5 -5.447 -17.489 28.798 1.00 36.36 O ATOM 28 CB ASP A 5 -2.654 -19.319 28.638 1.00 37.38 C ATOM 29 CG ASP A 5 -2.063 -20.572 28.000 1.00 38.71 C ATOM 30 OD1 ASP A 5 -2.798 -21.618 27.834 1.00 41.99 O ATOM 31 OD2 ASP A 5 -0.836 -20.582 27.620 1.00 40.94 O ATOM 32 H ASP A 5 -1.805 -18.244 26.489 1.00 0.00 H ATOM 33 N LYS A 6 -3.563 -16.306 28.520 1.00 33.39 N ATOM 34 CA LYS A 6 -4.129 -15.088 29.117 1.00 32.71 C ATOM 35 C LYS A 6 -5.309 -14.562 28.268 1.00 31.17 C ATOM 36 O LYS A 6 -6.360 -14.175 28.795 1.00 30.68 O ATOM 37 CB LYS A 6 -3.056 -13.984 29.195 1.00 32.32 C ATOM 38 H LYS A 6 -2.576 -16.302 28.192 1.00 0.00 H ATOM 39 N LEU A 7 -5.129 -14.583 26.955 1.00 28.59 N ATOM 40 CA LEU A 7 -6.122 -14.038 26.021 1.00 27.32 C ATOM 41 C LEU A 7 -7.426 -14.866 25.995 1.00 26.65 C ATOM 42 O LEU A 7 -8.527 -14.322 25.858 1.00 26.52 O ATOM 43 CB LEU A 7 -5.572 -14.022 24.580 1.00 26.17 C ATOM 44 CG LEU A 7 -4.550 -12.909 24.326 1.00 26.14 C ATOM 45 CD1 LEU A 7 -3.868 -13.029 22.959 1.00 28.53 C ATOM 46 CD2 LEU A 7 -5.166 -11.508 24.363 1.00 27.97 C ATOM 47 H LEU A 7 -4.256 -14.999 26.574 1.00 0.00 H ATOM 48 N VAL A 8 -7.321 -16.214 26.174 1.00 26.77 N ATOM 49 CA VAL A 8 -8.552 -17.006 26.003 1.00 26.74 C ATOM 50 C VAL A 8 -9.277 -17.270 27.364 1.00 27.93 C ATOM 51 O VAL A 8 -10.312 -17.944 27.416 1.00 27.59 O ATOM 52 CB VAL A 8 -8.232 -18.326 25.290 1.00 26.87 C ATOM 53 CG1 VAL A 8 -7.676 -18.076 23.879 1.00 26.02 C ATOM 54 CG2 VAL A 8 -7.197 -19.200 26.003 1.00 26.39 C ATOM 55 H VAL A 8 -6.415 -16.662 26.420 1.00 0.00 H ATOM 56 N LYS A 9 -8.729 -16.746 28.493 1.00 29.00 N ATOM 57 CA LYS A 9 -9.446 -16.837 29.795 1.00 30.99 C ATOM 58 C LYS A 9 -10.885 -16.333 29.555 1.00 31.35 C ATOM 59 O LYS A 9 -11.102 -15.288 28.945 1.00 30.31 O ATOM 60 CB LYS A 9 -8.718 -15.984 30.834 1.00 32.14 C ATOM 61 H LYS A 9 -7.801 -16.278 28.447 1.00 0.00 H ATOM 62 N ALA A 10 -11.864 -17.075 30.041 1.00 32.26 N ATOM 63 CA ALA A 10 -13.295 -16.753 29.781 1.00 32.84 C ATOM 64 C ALA A 10 -13.685 -15.286 30.107 1.00 33.12 C ATOM 65 O ALA A 10 -14.454 -14.659 29.363 1.00 32.79 O ATOM 66 CB ALA A 10 -14.220 -17.679 30.576 1.00 35.01 C ATOM 67 H ALA A 10 -11.629 -17.906 30.621 1.00 0.00 H ATOM 68 N SER A 11 -13.149 -14.711 31.177 1.00 33.28 N ATOM 69 CA SER A 11 -13.529 -13.347 31.583 1.00 33.47 C ATOM 70 C SER A 11 -12.604 -12.270 30.979 1.00 31.43 C ATOM 71 O SER A 11 -12.812 -11.069 31.158 1.00 31.72 O ATOM 72 CB SER A 11 -13.454 -13.196 33.106 1.00 34.79 C ATOM 73 OG SER A 11 -12.144 -13.496 33.567 1.00 35.98 O ATOM 74 HG SER A 11 -11.914 -14.427 33.322 1.00 0.00 H ATOM 75 H SER A 11 -12.447 -15.234 31.739 1.00 0.00 H ATOM 76 N HIS A 12 -11.595 -12.677 30.250 1.00 29.29 N ATOM 77 CA HIS A 12 -10.664 -11.690 29.687 1.00 27.02 C ATOM 78 C HIS A 12 -11.210 -11.055 28.395 1.00 25.43 C ATOM 79 O HIS A 12 -11.668 -11.748 27.478 1.00 24.05 O ATOM 80 CB HIS A 12 -9.328 -12.350 29.333 1.00 26.84 C ATOM 81 CG HIS A 12 -8.302 -11.336 28.847 1.00 27.99 C ATOM 82 ND1 HIS A 12 -8.006 -11.173 27.499 1.00 28.64 N ATOM 83 CD2 HIS A 12 -7.526 -10.449 29.520 1.00 28.53 C ATOM 84 CE1 HIS A 12 -7.093 -10.225 27.392 1.00 27.95 C ATOM 85 NE2 HIS A 12 -6.796 -9.784 28.587 1.00 28.40 N ATOM 86 H HIS A 12 -11.454 -13.692 30.071 1.00 0.00 H ATOM 87 N LEU A 13 -11.180 -9.729 28.363 1.00 23.63 N ATOM 88 CA LEU A 13 -11.536 -8.946 27.165 1.00 22.48 C ATOM 89 C LEU A 13 -10.274 -8.333 26.579 1.00 21.72 C ATOM 90 O LEU A 13 -9.482 -7.704 27.290 1.00 21.06 O ATOM 91 CB LEU A 13 -12.479 -7.775 27.500 1.00 22.70 C ATOM 92 CG LEU A 13 -13.807 -8.149 28.150 1.00 24.30 C ATOM 93 CD1 LEU A 13 -14.715 -6.923 28.318 1.00 23.20 C ATOM 94 CD2 LEU A 13 -14.609 -9.175 27.347 1.00 22.34 C ATOM 95 H LEU A 13 -10.892 -9.218 29.222 1.00 0.00 H ATOM 96 N ILE A 14 -10.076 -8.515 25.295 1.00 20.01 N ATOM 97 CA ILE A 14 -8.890 -7.938 24.653 1.00 18.79 C ATOM 98 C ILE A 14 -9.032 -6.406 24.641 1.00 18.78 C ATOM 99 O ILE A 14 -10.104 -5.855 24.381 1.00 19.55 O ATOM 100 CB ILE A 14 -8.770 -8.493 23.211 1.00 17.80 C ATOM 101 CG1 ILE A 14 -8.562 -10.024 23.198 1.00 17.08 C ATOM 102 CG2 ILE A 14 -7.593 -7.882 22.430 1.00 14.93 C ATOM 103 CD1 ILE A 14 -8.505 -10.637 21.795 1.00 16.37 C ATOM 104 H ILE A 14 -10.757 -9.066 24.735 1.00 0.00 H ATOM 105 N ASP A 15 -7.956 -5.722 24.968 1.00 18.71 N ATOM 106 CA ASP A 15 -7.928 -4.250 24.916 1.00 19.95 C ATOM 107 C ASP A 15 -6.545 -3.825 24.399 1.00 19.48 C ATOM 108 O ASP A 15 -5.714 -4.665 24.047 1.00 17.95 O ATOM 109 CB ASP A 15 -8.246 -3.654 26.308 1.00 20.91 C ATOM 110 CG ASP A 15 -7.236 -3.996 27.392 1.00 24.06 C ATOM 111 OD1 ASP A 15 -5.994 -4.106 27.097 1.00 24.39 O ATOM 112 OD2 ASP A 15 -7.633 -4.169 28.607 1.00 27.16 O ATOM 113 H ASP A 15 -7.103 -6.234 25.271 1.00 0.00 H ATOM 114 N MET A 16 -6.293 -2.542 24.381 1.00 20.94 N ATOM 115 CA MET A 16 -5.060 -1.991 23.798 1.00 21.51 C ATOM 116 C MET A 16 -3.796 -2.529 24.482 1.00 22.20 C ATOM 117 O MET A 16 -2.714 -2.582 23.882 1.00 20.99 O ATOM 118 CB MET A 16 -5.046 -0.469 23.930 1.00 22.21 C ATOM 119 CG MET A 16 -6.151 0.186 23.107 1.00 24.09 C ATOM 120 SD MET A 16 -6.236 -0.453 21.455 1.00 30.62 S ATOM 121 CE MET A 16 -4.830 0.127 20.544 1.00 26.45 C ATOM 122 H MET A 16 -6.989 -1.888 24.793 1.00 0.00 H ATOM 123 N ASN A 17 -3.918 -2.969 25.732 1.00 23.45 N ATOM 124 CA ASN A 17 -2.696 -3.397 26.417 1.00 24.10 C ATOM 125 C ASN A 17 -2.286 -4.822 25.982 1.00 23.06 C ATOM 126 O ASN A 17 -1.225 -5.323 26.353 1.00 23.06 O ATOM 127 CB ASN A 17 -2.897 -3.321 27.929 1.00 26.35 C ATOM 128 CG ASN A 17 -2.584 -1.904 28.434 1.00 29.97 C ATOM 129 OD1 ASN A 17 -1.508 -1.666 28.992 1.00 35.28 O ATOM 130 ND2 ASN A 17 -3.466 -0.938 28.259 1.00 35.47 N ATOM 131 HD22 ASN A 17 -4.372 -1.140 27.789 1.00 0.00 H ATOM 132 HD21 ASN A 17 -3.255 0.025 28.591 1.00 0.00 H ATOM 133 H ASN A 17 -4.844 -3.007 26.204 1.00 0.00 H ATOM 134 N ASP A 18 -3.119 -5.471 25.183 1.00 21.17 N ATOM 135 CA ASP A 18 -2.788 -6.808 24.659 1.00 20.33 C ATOM 136 C ASP A 18 -2.174 -6.718 23.273 1.00 19.01 C ATOM 137 O ASP A 18 -1.702 -7.719 22.719 1.00 17.96 O ATOM 138 CB ASP A 18 -4.039 -7.666 24.524 1.00 20.60 C ATOM 139 CG ASP A 18 -4.619 -8.071 25.851 1.00 21.64 C ATOM 140 OD1 ASP A 18 -3.904 -8.753 26.677 1.00 23.23 O ATOM 141 OD2 ASP A 18 -5.820 -7.730 26.142 1.00 22.17 O ATOM 142 H ASP A 18 -4.023 -5.029 24.921 1.00 0.00 H ATOM 143 N ILE A 19 -2.186 -5.514 22.731 1.00 17.83 N ATOM 144 CA ILE A 19 -1.687 -5.302 21.364 1.00 17.28 C ATOM 145 C ILE A 19 -0.238 -4.833 21.412 1.00 17.94 C ATOM 146 O ILE A 19 0.085 -3.811 22.040 1.00 17.41 O ATOM 147 CB ILE A 19 -2.562 -4.265 20.663 1.00 17.08 C ATOM 148 CG1 ILE A 19 -3.908 -4.862 20.250 1.00 16.92 C ATOM 149 CG2 ILE A 19 -1.922 -3.704 19.389 1.00 17.14 C ATOM 150 CD1 ILE A 19 -4.927 -3.821 19.812 1.00 20.13 C ATOM 151 H ILE A 19 -2.552 -4.708 23.276 1.00 0.00 H ATOM 152 N ILE A 20 0.611 -5.626 20.711 1.00 17.70 N ATOM 153 CA ILE A 20 2.052 -5.321 20.693 1.00 18.89 C ATOM 154 C ILE A 20 2.302 -4.152 19.722 1.00 19.57 C ATOM 155 O ILE A 20 1.468 -3.832 18.860 1.00 19.23 O ATOM 156 CB ILE A 20 2.857 -6.572 20.320 1.00 18.42 C ATOM 157 CG1 ILE A 20 2.532 -7.146 18.934 1.00 16.88 C ATOM 158 CG2 ILE A 20 2.615 -7.714 21.322 1.00 19.71 C ATOM 159 CD1 ILE A 20 3.410 -8.355 18.565 1.00 17.34 C ATOM 160 H ILE A 20 0.245 -6.447 20.188 1.00 0.00 H ATOM 161 N ARG A 21 3.463 -3.586 19.885 1.00 21.11 N ATOM 162 CA ARG A 21 3.842 -2.348 19.208 1.00 21.80 C ATOM 163 C ARG A 21 4.965 -2.529 18.193 1.00 21.37 C ATOM 164 O ARG A 21 5.804 -3.427 18.313 1.00 20.27 O ATOM 165 CB ARG A 21 4.367 -1.337 20.225 1.00 24.31 C ATOM 166 CG ARG A 21 3.369 -1.029 21.322 1.00 28.86 C ATOM 167 CD ARG A 21 1.993 -0.670 20.778 1.00 37.13 C ATOM 168 NE ARG A 21 1.001 -0.591 21.836 1.00 41.84 N ATOM 169 CZ ARG A 21 -0.157 0.048 21.742 1.00 44.32 C ATOM 170 NH1 ARG A 21 -0.515 0.675 20.607 1.00 44.55 N ATOM 171 NH2 ARG A 21 -1.021 0.130 22.752 1.00 47.61 N ATOM 172 HE ARG A 21 1.215 -1.071 22.733 1.00 0.00 H ATOM 173 HH12 ARG A 21 -1.428 1.171 20.552 1.00 0.00 H ATOM 174 HH11 ARG A 21 0.121 0.664 19.784 1.00 0.00 H ATOM 175 HH22 ARG A 21 -1.917 0.643 22.629 1.00 0.00 H ATOM 176 HH21 ARG A 21 -0.799 -0.319 23.664 1.00 0.00 H ATOM 177 H ARG A 21 4.150 -4.034 20.524 1.00 0.00 H ATOM 178 N GLU A 22 4.890 -1.664 17.235 1.00 19.89 N ATOM 179 CA GLU A 22 5.907 -1.514 16.208 1.00 20.41 C ATOM 180 C GLU A 22 7.272 -1.763 16.856 1.00 20.96 C ATOM 181 O GLU A 22 7.586 -1.218 17.916 1.00 21.43 O ATOM 182 CB GLU A 22 5.807 -0.097 15.675 1.00 20.51 C ATOM 183 CG GLU A 22 6.616 0.142 14.432 1.00 21.08 C ATOM 184 CD GLU A 22 6.491 1.569 13.949 1.00 23.03 C ATOM 185 OE1 GLU A 22 5.894 2.446 14.690 1.00 22.34 O ATOM 186 OE2 GLU A 22 6.975 1.889 12.812 1.00 23.99 O ATOM 187 H GLU A 22 4.057 -1.042 17.197 1.00 0.00 H ATOM 188 N GLY A 23 8.076 -2.595 16.232 1.00 20.75 N ATOM 189 CA GLY A 23 9.406 -2.882 16.787 1.00 21.50 C ATOM 190 C GLY A 23 9.454 -4.295 17.392 1.00 21.30 C ATOM 191 O GLY A 23 10.512 -4.928 17.458 1.00 23.11 O ATOM 192 H GLY A 23 7.771 -3.049 15.347 1.00 0.00 H ATOM 193 N ASN A 24 8.298 -4.775 17.881 1.00 20.15 N ATOM 194 CA ASN A 24 8.215 -6.144 18.423 1.00 19.17 C ATOM 195 C ASN A 24 8.444 -7.125 17.270 1.00 18.83 C ATOM 196 O ASN A 24 7.702 -7.110 16.270 1.00 17.69 O ATOM 197 CB ASN A 24 6.842 -6.352 19.055 1.00 19.02 C ATOM 198 CG ASN A 24 6.750 -7.646 19.851 1.00 20.28 C ATOM 199 OD1 ASN A 24 7.199 -8.687 19.377 1.00 23.04 O ATOM 200 ND2 ASN A 24 6.188 -7.645 21.047 1.00 19.36 N ATOM 201 HD22 ASN A 24 5.810 -6.761 21.443 1.00 0.00 H ATOM 202 HD21 ASN A 24 6.124 -8.528 21.592 1.00 0.00 H ATOM 203 H ASN A 24 7.450 -4.173 17.877 1.00 0.00 H ATOM 204 N PRO A 25 9.456 -8.022 17.351 1.00 19.23 N ATOM 205 CA PRO A 25 9.774 -8.914 16.252 1.00 18.22 C ATOM 206 C PRO A 25 8.626 -9.777 15.777 1.00 16.91 C ATOM 207 O PRO A 25 8.619 -10.185 14.585 1.00 16.45 O ATOM 208 CB PRO A 25 10.932 -9.753 16.766 1.00 19.88 C ATOM 209 CG PRO A 25 11.262 -9.279 18.173 1.00 20.57 C ATOM 210 CD PRO A 25 10.314 -8.175 18.541 1.00 19.70 C ATOM 211 N THR A 26 7.638 -10.060 16.600 1.00 16.42 N ATOM 212 CA THR A 26 6.565 -10.963 16.141 1.00 15.70 C ATOM 213 C THR A 26 5.793 -10.348 14.937 1.00 14.29 C ATOM 214 O THR A 26 5.215 -11.065 14.114 1.00 13.67 O ATOM 215 CB THR A 26 5.579 -11.250 17.295 1.00 16.70 C ATOM 216 OG1 THR A 26 6.202 -12.102 18.253 1.00 18.79 O ATOM 217 CG2 THR A 26 4.291 -11.947 16.834 1.00 15.67 C ATOM 218 HG1 THR A 26 5.569 -12.285 18.992 1.00 0.00 H ATOM 219 H THR A 26 7.614 -9.654 17.557 1.00 0.00 H ATOM 220 N LEU A 27 5.809 -9.029 14.819 1.00 13.22 N ATOM 221 CA LEU A 27 5.072 -8.331 13.748 1.00 12.02 C ATOM 222 C LEU A 27 5.743 -8.524 12.371 1.00 12.27 C ATOM 223 O LEU A 27 5.131 -8.276 11.322 1.00 11.22 O ATOM 224 CB LEU A 27 5.020 -6.824 14.036 1.00 12.16 C ATOM 225 CG LEU A 27 4.039 -6.466 15.151 1.00 11.87 C ATOM 226 CD1 LEU A 27 4.027 -4.966 15.463 1.00 10.84 C ATOM 227 CD2 LEU A 27 2.592 -6.854 14.810 1.00 11.23 C ATOM 228 H LEU A 27 6.358 -8.468 15.502 1.00 0.00 H ATOM 229 N ARG A 28 6.993 -9.008 12.390 1.00 12.33 N ATOM 230 CA ARG A 28 7.770 -9.135 11.145 1.00 11.89 C ATOM 231 C ARG A 28 7.984 -10.623 10.744 1.00 11.66 C ATOM 232 O ARG A 28 8.697 -10.946 9.788 1.00 12.01 O ATOM 233 CB ARG A 28 9.130 -8.463 11.326 1.00 12.37 C ATOM 234 CG ARG A 28 9.050 -6.948 11.118 1.00 13.27 C ATOM 235 CD ARG A 28 8.486 -6.585 9.744 1.00 12.84 C ATOM 236 NE ARG A 28 8.748 -5.202 9.357 1.00 14.18 N ATOM 237 CZ ARG A 28 8.270 -4.639 8.248 1.00 15.55 C ATOM 238 NH1 ARG A 28 7.507 -5.347 7.394 1.00 11.90 N ATOM 239 NH2 ARG A 28 8.493 -3.364 7.910 1.00 14.79 N ATOM 240 HE ARG A 28 9.342 -4.622 9.983 1.00 0.00 H ATOM 241 HH12 ARG A 28 7.139 -4.898 6.531 1.00 0.00 H ATOM 242 HH11 ARG A 28 7.286 -6.343 7.597 1.00 0.00 H ATOM 243 HH22 ARG A 28 8.092 -2.982 7.030 1.00 0.00 H ATOM 244 HH21 ARG A 28 9.067 -2.755 8.527 1.00 0.00 H ATOM 245 H ARG A 28 7.419 -9.297 13.294 1.00 0.00 H ATOM 246 N LYS A 29 7.377 -11.519 11.440 1.00 11.78 N ATOM 247 CA LYS A 29 7.494 -12.949 11.126 1.00 12.32 C ATOM 248 C LYS A 29 6.429 -13.394 10.145 1.00 11.98 C ATOM 249 O LYS A 29 5.439 -12.692 9.916 1.00 11.06 O ATOM 250 CB LYS A 29 7.256 -13.791 12.383 1.00 13.37 C ATOM 251 CG LYS A 29 8.256 -13.555 13.482 1.00 15.73 C ATOM 252 CD LYS A 29 8.045 -14.491 14.652 1.00 25.23 C ATOM 253 CE LYS A 29 9.069 -14.300 15.746 1.00 28.84 C ATOM 254 NZ LYS A 29 8.692 -14.970 16.986 1.00 34.81 N ATOM 255 HZ1 LYS A 29 7.786 -14.587 17.324 1.00 0.00 H ATOM 256 HZ2 LYS A 29 8.595 -15.991 16.811 1.00 0.00 H ATOM 257 HZ3 LYS A 29 9.427 -14.808 17.704 1.00 0.00 H ATOM 258 H LYS A 29 6.789 -11.223 12.245 1.00 0.00 H ATOM 259 N VAL A 30 6.684 -14.541 9.520 1.00 10.99 N ATOM 260 CA VAL A 30 5.605 -15.180 8.772 1.00 10.99 C ATOM 261 C VAL A 30 4.914 -16.131 9.722 1.00 11.27 C ATOM 262 O VAL A 30 5.477 -17.117 10.173 1.00 12.54 O ATOM 263 CB VAL A 30 6.127 -15.958 7.556 1.00 11.90 C ATOM 264 CG1 VAL A 30 4.992 -16.658 6.790 1.00 9.31 C ATOM 265 CG2 VAL A 30 6.853 -15.078 6.532 1.00 12.72 C ATOM 266 H VAL A 30 7.629 -14.972 9.563 1.00 0.00 H ATOM 267 N ALA A 31 3.727 -15.812 10.001 1.00 11.14 N ATOM 268 CA ALA A 31 2.881 -16.562 10.927 1.00 11.15 C ATOM 269 C ALA A 31 2.661 -17.992 10.414 1.00 11.52 C ATOM 270 O ALA A 31 2.637 -18.238 9.182 1.00 10.05 O ATOM 271 CB ALA A 31 1.539 -15.862 11.069 1.00 10.17 C ATOM 272 H ALA A 31 3.327 -14.967 9.546 1.00 0.00 H ATOM 273 N GLU A 32 2.500 -18.857 11.397 1.00 13.08 N ATOM 274 CA GLU A 32 2.312 -20.295 11.187 1.00 14.25 C ATOM 275 C GLU A 32 0.842 -20.613 10.861 1.00 14.16 C ATOM 276 O GLU A 32 -0.079 -20.094 11.479 1.00 12.64 O ATOM 277 CB GLU A 32 2.697 -21.062 12.461 1.00 15.90 C ATOM 278 CG GLU A 32 3.069 -22.518 12.192 1.00 22.36 C ATOM 279 CD GLU A 32 4.402 -22.663 11.470 1.00 27.29 C ATOM 280 OE1 GLU A 32 5.311 -21.761 11.609 1.00 30.09 O ATOM 281 OE2 GLU A 32 4.618 -23.684 10.720 1.00 34.08 O ATOM 282 H GLU A 32 2.507 -18.499 12.373 1.00 0.00 H ATOM 283 N GLU A 33 0.671 -21.448 9.869 1.00 14.63 N ATOM 284 CA GLU A 33 -0.656 -21.908 9.468 1.00 17.83 C ATOM 285 C GLU A 33 -1.261 -22.673 10.631 1.00 17.24 C ATOM 286 O GLU A 33 -0.522 -23.243 11.472 1.00 16.62 O ATOM 287 CB GLU A 33 -0.521 -22.822 8.218 1.00 17.36 C ATOM 288 CG GLU A 33 -1.730 -23.733 7.978 1.00 23.94 C ATOM 289 CD GLU A 33 -1.605 -24.590 6.708 1.00 25.93 C ATOM 290 OE1 GLU A 33 -1.065 -24.099 5.640 1.00 33.68 O ATOM 291 OE2 GLU A 33 -2.039 -25.804 6.704 1.00 34.98 O ATOM 292 H GLU A 33 1.504 -21.794 9.351 1.00 0.00 H ATOM 293 N VAL A 34 -2.598 -22.622 10.690 1.00 16.68 N ATOM 294 CA VAL A 34 -3.295 -23.427 11.701 1.00 17.82 C ATOM 295 C VAL A 34 -3.723 -24.729 11.060 1.00 18.42 C ATOM 296 O VAL A 34 -3.928 -24.805 9.840 1.00 17.78 O ATOM 297 CB VAL A 34 -4.552 -22.700 12.250 1.00 17.18 C ATOM 298 CG1 VAL A 34 -4.271 -21.273 12.739 1.00 16.98 C ATOM 299 CG2 VAL A 34 -5.676 -22.569 11.215 1.00 17.47 C ATOM 300 H VAL A 34 -3.134 -22.022 10.031 1.00 0.00 H ATOM 301 N THR A 35 -3.839 -25.733 11.887 1.00 19.57 N ATOM 302 CA THR A 35 -4.262 -27.055 11.430 1.00 20.71 C ATOM 303 C THR A 35 -5.686 -27.291 11.928 1.00 20.28 C ATOM 304 O THR A 35 -6.087 -26.771 12.975 1.00 19.66 O ATOM 305 CB THR A 35 -3.298 -28.135 11.968 1.00 22.46 C ATOM 306 OG1 THR A 35 -3.082 -27.971 13.364 1.00 25.35 O ATOM 307 CG2 THR A 35 -1.922 -28.086 11.289 1.00 23.26 C ATOM 308 HG1 THR A 35 -2.688 -27.079 13.533 1.00 0.00 H ATOM 309 H THR A 35 -3.625 -25.588 12.894 1.00 0.00 H ATOM 310 N PHE A 36 -6.447 -28.049 11.152 1.00 20.81 N ATOM 311 CA PHE A 36 -7.824 -28.395 11.527 1.00 21.98 C ATOM 312 C PHE A 36 -7.900 -29.882 11.875 1.00 24.48 C ATOM 313 O PHE A 36 -7.203 -30.704 11.282 1.00 25.58 O ATOM 314 CB PHE A 36 -8.798 -28.087 10.387 1.00 21.16 C ATOM 315 CG PHE A 36 -8.967 -26.600 10.175 1.00 18.94 C ATOM 316 CD1 PHE A 36 -8.223 -25.954 9.194 1.00 17.27 C ATOM 317 CD2 PHE A 36 -9.857 -25.877 10.965 1.00 17.91 C ATOM 318 CE1 PHE A 36 -8.366 -24.575 9.000 1.00 16.60 C ATOM 319 CE2 PHE A 36 -9.996 -24.496 10.777 1.00 16.72 C ATOM 320 CZ PHE A 36 -9.248 -23.847 9.793 1.00 16.24 C ATOM 321 H PHE A 36 -6.060 -28.407 10.256 1.00 0.00 H ATOM 322 N PRO A 37 -8.720 -30.252 12.864 1.00 25.46 N ATOM 323 CA PRO A 37 -9.644 -29.371 13.588 1.00 24.71 C ATOM 324 C PRO A 37 -8.918 -28.402 14.541 1.00 23.63 C ATOM 325 O PRO A 37 -7.862 -28.729 15.071 1.00 22.80 O ATOM 326 CB PRO A 37 -10.550 -30.349 14.335 1.00 25.76 C ATOM 327 CG PRO A 37 -9.732 -31.579 14.512 1.00 28.26 C ATOM 328 CD PRO A 37 -8.760 -31.641 13.350 1.00 27.32 C ATOM 329 N LEU A 38 -9.447 -27.202 14.673 1.00 22.97 N ATOM 330 CA LEU A 38 -8.850 -26.166 15.520 1.00 22.34 C ATOM 331 C LEU A 38 -8.843 -26.582 16.979 1.00 24.07 C ATOM 332 O LEU A 38 -9.751 -27.278 17.437 1.00 25.74 O ATOM 333 CB LEU A 38 -9.687 -24.875 15.524 1.00 21.77 C ATOM 334 CG LEU A 38 -9.635 -23.979 14.303 1.00 17.53 C ATOM 335 CD1 LEU A 38 -10.315 -22.638 14.609 1.00 12.33 C ATOM 336 CD2 LEU A 38 -8.215 -23.672 13.833 1.00 16.07 C ATOM 337 H LEU A 38 -10.322 -26.982 14.156 1.00 0.00 H ATOM 338 N SER A 39 -7.806 -26.170 17.681 1.00 24.39 N ATOM 339 CA SER A 39 -7.783 -26.361 19.134 1.00 26.00 C ATOM 340 C SER A 39 -8.786 -25.381 19.729 1.00 26.37 C ATOM 341 O SER A 39 -9.154 -24.388 19.093 1.00 23.74 O ATOM 342 CB SER A 39 -6.377 -26.083 19.667 1.00 26.43 C ATOM 343 OG SER A 39 -6.164 -24.683 19.742 1.00 24.97 O ATOM 344 HG SER A 39 -5.253 -24.507 20.087 1.00 0.00 H ATOM 345 H SER A 39 -7.005 -25.710 17.204 1.00 0.00 H ATOM 346 N GLU A 40 -9.223 -25.656 20.950 1.00 28.01 N ATOM 347 CA GLU A 40 -10.204 -24.773 21.593 1.00 29.02 C ATOM 348 C GLU A 40 -9.604 -23.361 21.767 1.00 26.98 C ATOM 349 O GLU A 40 -10.288 -22.347 21.611 1.00 26.47 O ATOM 350 CB GLU A 40 -10.618 -25.336 22.958 1.00 31.15 C ATOM 351 CG GLU A 40 -11.987 -24.819 23.415 1.00 37.24 C ATOM 352 CD GLU A 40 -12.718 -25.770 24.363 1.00 44.96 C ATOM 353 OE1 GLU A 40 -12.076 -26.725 24.944 1.00 46.36 O ATOM 354 OE2 GLU A 40 -13.979 -25.614 24.579 1.00 48.55 O ATOM 355 H GLU A 40 -8.871 -26.496 21.452 1.00 0.00 H ATOM 356 N LYS A 41 -8.321 -23.299 22.079 1.00 26.12 N ATOM 357 CA LYS A 41 -7.627 -22.013 22.239 1.00 26.11 C ATOM 358 C LYS A 41 -7.723 -21.156 20.961 1.00 24.57 C ATOM 359 O LYS A 41 -7.973 -19.945 21.016 1.00 23.52 O ATOM 360 CB LYS A 41 -6.144 -22.221 22.502 1.00 26.42 C ATOM 361 CG LYS A 41 -5.801 -22.690 23.902 1.00 29.81 C ATOM 362 CD LYS A 41 -4.308 -22.566 24.150 1.00 31.66 C ATOM 363 CE LYS A 41 -3.828 -23.305 25.378 1.00 35.00 C ATOM 364 NZ LYS A 41 -2.365 -23.351 25.457 1.00 36.03 N ATOM 365 HZ1 LYS A 41 -1.989 -23.837 24.618 1.00 0.00 H ATOM 366 HZ2 LYS A 41 -1.990 -22.382 25.495 1.00 0.00 H ATOM 367 HZ3 LYS A 41 -2.081 -23.867 26.314 1.00 0.00 H ATOM 368 H LYS A 41 -7.789 -24.182 22.215 1.00 0.00 H ATOM 369 N GLU A 42 -7.525 -21.815 19.811 1.00 23.32 N ATOM 370 CA GLU A 42 -7.517 -21.125 18.507 1.00 22.85 C ATOM 371 C GLU A 42 -8.928 -20.642 18.146 1.00 21.76 C ATOM 372 O GLU A 42 -9.104 -19.583 17.535 1.00 20.55 O ATOM 373 CB GLU A 42 -6.995 -22.069 17.420 1.00 22.90 C ATOM 374 CG GLU A 42 -5.466 -22.045 17.341 1.00 24.00 C ATOM 375 CD GLU A 42 -4.860 -23.204 16.554 1.00 25.24 C ATOM 376 OE1 GLU A 42 -5.561 -24.253 16.292 1.00 26.70 O ATOM 377 OE2 GLU A 42 -3.641 -23.128 16.152 1.00 28.37 O ATOM 378 H GLU A 42 -7.372 -22.843 19.839 1.00 0.00 H ATOM 379 N GLU A 43 -9.911 -21.416 18.540 1.00 22.25 N ATOM 380 CA GLU A 43 -11.312 -21.079 18.271 1.00 22.02 C ATOM 381 C GLU A 43 -11.765 -19.895 19.145 1.00 21.37 C ATOM 382 O GLU A 43 -12.428 -18.961 18.665 1.00 19.53 O ATOM 383 CB GLU A 43 -12.203 -22.274 18.572 1.00 23.87 C ATOM 384 CG GLU A 43 -13.687 -21.937 18.525 1.00 28.71 C ATOM 385 CD GLU A 43 -14.539 -23.068 19.065 1.00 37.50 C ATOM 386 OE1 GLU A 43 -15.793 -22.879 19.274 1.00 40.23 O ATOM 387 OE2 GLU A 43 -13.996 -24.208 19.308 1.00 41.40 O ATOM 388 H GLU A 43 -9.691 -22.291 19.057 1.00 0.00 H ATOM 389 N ILE A 44 -11.390 -19.952 20.444 1.00 20.35 N ATOM 390 CA ILE A 44 -11.781 -18.874 21.364 1.00 20.15 C ATOM 391 C ILE A 44 -11.017 -17.584 21.000 1.00 18.38 C ATOM 392 O ILE A 44 -11.562 -16.481 21.083 1.00 18.19 O ATOM 393 CB ILE A 44 -11.491 -19.270 22.832 1.00 20.80 C ATOM 394 CG1 ILE A 44 -12.484 -20.327 23.364 1.00 21.39 C ATOM 395 CG2 ILE A 44 -11.581 -18.076 23.798 1.00 21.17 C ATOM 396 CD1 ILE A 44 -12.112 -20.892 24.743 1.00 24.26 C ATOM 397 H ILE A 44 -10.827 -20.755 20.790 1.00 0.00 H ATOM 398 N LEU A 45 -9.737 -17.736 20.580 1.00 16.77 N ATOM 399 CA LEU A 45 -8.930 -16.559 20.195 1.00 15.51 C ATOM 400 C LEU A 45 -9.628 -15.800 19.052 1.00 14.26 C ATOM 401 O LEU A 45 -9.748 -14.571 19.069 1.00 14.31 O ATOM 402 CB LEU A 45 -7.531 -16.982 19.739 1.00 15.78 C ATOM 403 CG LEU A 45 -6.695 -15.795 19.249 1.00 13.76 C ATOM 404 CD1 LEU A 45 -6.324 -14.824 20.372 1.00 15.35 C ATOM 405 CD2 LEU A 45 -5.370 -16.219 18.607 1.00 14.38 C ATOM 406 H LEU A 45 -9.320 -18.687 20.528 1.00 0.00 H ATOM 407 N GLY A 46 -10.083 -16.534 18.068 1.00 13.82 N ATOM 408 CA GLY A 46 -10.791 -15.928 16.934 1.00 12.78 C ATOM 409 C GLY A 46 -12.024 -15.154 17.427 1.00 13.31 C ATOM 410 O GLY A 46 -12.343 -14.064 16.982 1.00 12.36 O ATOM 411 H GLY A 46 -9.940 -17.564 18.090 1.00 0.00 H ATOM 412 N GLU A 47 -12.696 -15.708 18.357 1.00 14.43 N ATOM 413 CA GLU A 47 -13.928 -15.119 18.896 1.00 16.16 C ATOM 414 C GLU A 47 -13.616 -13.892 19.761 1.00 14.52 C ATOM 415 O GLU A 47 -14.345 -12.901 19.780 1.00 14.98 O ATOM 416 CB GLU A 47 -14.661 -16.148 19.726 1.00 17.15 C ATOM 417 CG GLU A 47 -15.463 -17.107 18.857 1.00 18.96 C ATOM 418 CD GLU A 47 -15.906 -18.354 19.600 1.00 23.04 C ATOM 419 OE1 GLU A 47 -15.953 -18.350 20.886 1.00 27.85 O ATOM 420 OE2 GLU A 47 -16.232 -19.408 18.943 1.00 29.58 O ATOM 421 H GLU A 47 -12.359 -16.611 18.749 1.00 0.00 H ATOM 422 N LYS A 48 -12.539 -13.946 20.486 1.00 13.74 N ATOM 423 CA LYS A 48 -12.166 -12.782 21.297 1.00 13.59 C ATOM 424 C LYS A 48 -11.736 -11.631 20.388 1.00 11.79 C ATOM 425 O LYS A 48 -11.972 -10.456 20.690 1.00 10.03 O ATOM 426 CB LYS A 48 -11.015 -13.130 22.232 1.00 13.72 C ATOM 427 CG LYS A 48 -11.385 -14.187 23.260 1.00 18.33 C ATOM 428 CD LYS A 48 -12.072 -13.607 24.485 1.00 21.92 C ATOM 429 CE LYS A 48 -11.800 -14.421 25.740 1.00 25.53 C ATOM 430 NZ LYS A 48 -12.763 -14.154 26.811 1.00 28.16 N ATOM 431 HZ1 LYS A 48 -12.722 -13.148 27.070 1.00 0.00 H ATOM 432 HZ2 LYS A 48 -13.721 -14.389 26.481 1.00 0.00 H ATOM 433 HZ3 LYS A 48 -12.528 -14.736 27.640 1.00 0.00 H ATOM 434 H LYS A 48 -11.950 -14.803 20.491 1.00 0.00 H ATOM 435 N MET A 49 -11.102 -12.000 19.267 1.00 10.80 N ATOM 436 CA MET A 49 -10.635 -10.996 18.298 1.00 9.96 C ATOM 437 C MET A 49 -11.845 -10.291 17.666 1.00 9.53 C ATOM 438 O MET A 49 -11.859 -9.069 17.507 1.00 10.01 O ATOM 439 CB MET A 49 -9.789 -11.663 17.222 1.00 9.69 C ATOM 440 CG MET A 49 -8.439 -12.144 17.756 1.00 8.55 C ATOM 441 SD MET A 49 -7.481 -12.973 16.527 1.00 12.24 S ATOM 442 CE MET A 49 -7.151 -11.840 15.204 1.00 9.93 C ATOM 443 H MET A 49 -10.938 -13.010 19.079 1.00 0.00 H ATOM 444 N MET A 50 -12.873 -11.071 17.308 1.00 9.97 N ATOM 445 CA MET A 50 -14.090 -10.475 16.735 1.00 10.12 C ATOM 446 C MET A 50 -14.826 -9.635 17.804 1.00 11.44 C ATOM 447 O MET A 50 -15.435 -8.604 17.509 1.00 11.57 O ATOM 448 CB MET A 50 -15.038 -11.571 16.215 1.00 11.12 C ATOM 449 CG MET A 50 -16.333 -11.010 15.604 1.00 13.46 C ATOM 450 SD MET A 50 -16.045 -9.770 14.362 1.00 14.66 S ATOM 451 CE MET A 50 -15.689 -10.562 12.815 1.00 11.00 C ATOM 452 H MET A 50 -12.811 -12.101 17.435 1.00 0.00 H ATOM 453 N GLN A 51 -14.770 -10.076 19.058 1.00 12.11 N ATOM 454 CA GLN A 51 -15.434 -9.343 20.146 1.00 13.72 C ATOM 455 C GLN A 51 -14.736 -7.977 20.327 1.00 12.94 C ATOM 456 O GLN A 51 -15.376 -6.952 20.593 1.00 13.85 O ATOM 457 CB GLN A 51 -15.362 -10.178 21.433 1.00 15.26 C ATOM 458 CG GLN A 51 -15.866 -9.442 22.670 1.00 17.52 C ATOM 459 CD GLN A 51 -15.765 -10.291 23.933 1.00 20.42 C ATOM 460 OE1 GLN A 51 -14.687 -10.812 24.233 1.00 21.32 O ATOM 461 NE2 GLN A 51 -16.829 -10.463 24.693 1.00 24.27 N ATOM 462 HE22 GLN A 51 -17.732 -10.019 24.431 1.00 0.00 H ATOM 463 HE21 GLN A 51 -16.765 -11.042 25.554 1.00 0.00 H ATOM 464 H GLN A 51 -14.250 -10.951 19.272 1.00 0.00 H ATOM 465 N PHE A 52 -13.425 -7.981 20.156 1.00 11.83 N ATOM 466 CA PHE A 52 -12.619 -6.760 20.278 1.00 11.72 C ATOM 467 C PHE A 52 -13.029 -5.730 19.195 1.00 11.62 C ATOM 468 O PHE A 52 -13.097 -4.519 19.447 1.00 11.37 O ATOM 469 CB PHE A 52 -11.137 -7.097 20.124 1.00 11.78 C ATOM 470 CG PHE A 52 -10.258 -5.857 20.031 1.00 13.49 C ATOM 471 CD1 PHE A 52 -10.015 -5.272 18.790 1.00 13.02 C ATOM 472 CD2 PHE A 52 -9.699 -5.308 21.190 1.00 15.76 C ATOM 473 CE1 PHE A 52 -9.211 -4.136 18.700 1.00 13.72 C ATOM 474 CE2 PHE A 52 -8.894 -4.170 21.100 1.00 16.21 C ATOM 475 CZ PHE A 52 -8.649 -3.582 19.854 1.00 15.48 C ATOM 476 H PHE A 52 -12.950 -8.877 19.928 1.00 0.00 H ATOM 477 N LEU A 53 -13.314 -6.227 17.982 1.00 10.60 N ATOM 478 CA LEU A 53 -13.713 -5.330 16.884 1.00 10.62 C ATOM 479 C LEU A 53 -15.130 -4.780 17.141 1.00 11.28 C ATOM 480 O LEU A 53 -15.411 -3.608 16.893 1.00 11.37 O ATOM 481 CB LEU A 53 -13.682 -6.076 15.553 1.00 8.78 C ATOM 482 CG LEU A 53 -12.258 -6.251 15.017 1.00 8.82 C ATOM 483 CD1 LEU A 53 -12.229 -6.893 13.630 1.00 6.60 C ATOM 484 CD2 LEU A 53 -11.498 -4.923 14.890 1.00 4.06 C ATOM 485 H LEU A 53 -13.253 -7.252 17.816 1.00 0.00 H ATOM 486 N LYS A 54 -16.030 -5.630 17.646 1.00 12.09 N ATOM 487 CA LYS A 54 -17.396 -5.179 17.965 1.00 13.80 C ATOM 488 C LYS A 54 -17.351 -4.076 19.049 1.00 14.17 C ATOM 489 O LYS A 54 -18.041 -3.058 18.952 1.00 15.60 O ATOM 490 CB LYS A 54 -18.239 -6.355 18.479 1.00 15.51 C ATOM 491 CG LYS A 54 -18.621 -7.348 17.378 1.00 18.58 C ATOM 492 CD LYS A 54 -19.968 -7.038 16.732 1.00 24.91 C ATOM 493 CE LYS A 54 -20.322 -8.013 15.614 1.00 27.73 C ATOM 494 NZ LYS A 54 -20.275 -9.416 16.051 1.00 31.16 N ATOM 495 HZ1 LYS A 54 -19.315 -9.643 16.381 1.00 0.00 H ATOM 496 HZ2 LYS A 54 -20.953 -9.559 16.827 1.00 0.00 H ATOM 497 HZ3 LYS A 54 -20.524 -10.035 15.253 1.00 0.00 H ATOM 498 H LYS A 54 -15.763 -6.621 17.816 1.00 0.00 H ATOM 499 N HIS A 55 -16.514 -4.289 20.072 1.00 13.98 N ATOM 500 CA HIS A 55 -16.344 -3.354 21.208 1.00 14.45 C ATOM 501 C HIS A 55 -15.715 -2.022 20.760 1.00 14.76 C ATOM 502 O HIS A 55 -16.122 -0.933 21.204 1.00 15.27 O ATOM 503 CB HIS A 55 -15.420 -3.956 22.270 1.00 14.60 C ATOM 504 CG HIS A 55 -16.089 -5.043 23.101 1.00 14.58 C ATOM 505 ND1 HIS A 55 -15.399 -5.734 24.091 1.00 16.69 N ATOM 506 CD2 HIS A 55 -17.349 -5.544 23.090 1.00 18.53 C ATOM 507 CE1 HIS A 55 -16.229 -6.605 24.635 1.00 18.89 C ATOM 508 NE2 HIS A 55 -17.396 -6.504 24.049 1.00 18.45 N ATOM 509 H HIS A 55 -15.950 -5.163 20.069 1.00 0.00 H ATOM 510 N SER A 56 -14.732 -2.147 19.881 1.00 14.04 N ATOM 511 CA SER A 56 -14.001 -0.982 19.378 1.00 14.14 C ATOM 512 C SER A 56 -14.928 -0.094 18.525 1.00 15.17 C ATOM 513 O SER A 56 -14.722 1.110 18.402 1.00 14.42 O ATOM 514 CB SER A 56 -12.795 -1.440 18.531 1.00 13.40 C ATOM 515 OG SER A 56 -13.199 -1.728 17.201 1.00 14.58 O ATOM 516 HG SER A 56 -13.876 -2.450 17.212 1.00 0.00 H ATOM 517 H SER A 56 -14.473 -3.095 19.540 1.00 0.00 H ATOM 518 N GLN A 57 -15.975 -0.697 17.962 1.00 16.38 N ATOM 519 CA GLN A 57 -16.902 0.046 17.093 1.00 17.96 C ATOM 520 C GLN A 57 -18.138 0.541 17.864 1.00 21.13 C ATOM 521 O GLN A 57 -18.944 1.314 17.340 1.00 21.71 O ATOM 522 CB GLN A 57 -17.375 -0.839 15.954 1.00 16.78 C ATOM 523 CG GLN A 57 -16.295 -1.014 14.906 1.00 14.30 C ATOM 524 CD GLN A 57 -16.718 -1.866 13.729 1.00 12.81 C ATOM 525 OE1 GLN A 57 -17.915 -2.075 13.517 1.00 12.97 O ATOM 526 NE2 GLN A 57 -15.793 -2.371 12.942 1.00 11.96 N ATOM 527 HE22 GLN A 57 -14.788 -2.185 13.135 1.00 0.00 H ATOM 528 HE21 GLN A 57 -16.067 -2.956 12.127 1.00 0.00 H ATOM 529 H GLN A 57 -16.140 -1.708 18.140 1.00 0.00 H ATOM 530 N ASP A 58 -18.267 0.092 19.100 1.00 23.88 N ATOM 531 CA ASP A 58 -19.406 0.485 19.979 1.00 28.42 C ATOM 532 C ASP A 58 -18.947 1.654 20.843 1.00 30.54 C ATOM 533 O ASP A 58 -17.990 1.524 21.624 1.00 30.93 O ATOM 534 CB ASP A 58 -19.812 -0.686 20.829 1.00 29.08 C ATOM 535 CG ASP A 58 -20.801 -0.296 21.902 1.00 34.00 C ATOM 536 OD1 ASP A 58 -20.608 -0.679 23.108 1.00 40.52 O ATOM 537 OD2 ASP A 58 -21.820 0.412 21.597 1.00 37.70 O ATOM 538 H ASP A 58 -17.548 -0.560 19.474 1.00 0.00 H ATOM 539 N PRO A 59 -19.593 2.845 20.746 1.00 32.78 N ATOM 540 CA PRO A 59 -19.075 4.028 21.431 1.00 34.15 C ATOM 541 C PRO A 59 -18.950 3.869 22.934 1.00 35.34 C ATOM 542 O PRO A 59 -17.893 4.329 23.500 1.00 35.96 O ATOM 543 CB PRO A 59 -20.016 5.139 20.986 1.00 34.99 C ATOM 544 CG PRO A 59 -21.034 4.539 20.040 1.00 34.18 C ATOM 545 CD PRO A 59 -20.881 3.056 20.044 1.00 32.97 C ATOM 546 N ILE A 60 -19.829 3.130 23.614 1.00 35.93 N ATOM 547 CA ILE A 60 -19.731 2.956 25.072 1.00 37.44 C ATOM 548 C ILE A 60 -18.611 1.973 25.451 1.00 36.02 C ATOM 549 O ILE A 60 -17.752 2.289 26.278 1.00 36.06 O ATOM 550 CB ILE A 60 -21.045 2.427 25.659 1.00 38.98 C ATOM 551 CG1 ILE A 60 -22.197 3.430 25.481 1.00 40.80 C ATOM 552 CG2 ILE A 60 -20.930 2.138 27.173 1.00 40.93 C ATOM 553 CD1 ILE A 60 -23.590 2.790 25.489 1.00 41.39 C ATOM 554 H ILE A 60 -20.604 2.665 23.100 1.00 0.00 H ATOM 555 N MET A 61 -18.611 0.777 24.833 1.00 33.51 N ATOM 556 CA MET A 61 -17.593 -0.233 25.190 1.00 32.77 C ATOM 557 C MET A 61 -16.162 0.291 24.872 1.00 31.18 C ATOM 558 O MET A 61 -15.215 0.081 25.607 1.00 30.79 O ATOM 559 CB MET A 61 -17.832 -1.549 24.417 1.00 32.77 C ATOM 560 CG MET A 61 -18.926 -2.460 25.044 1.00 34.84 C ATOM 561 SD MET A 61 -18.749 -2.734 26.806 1.00 39.14 S ATOM 562 CE MET A 61 -17.229 -3.595 27.149 1.00 34.02 C ATOM 563 H MET A 61 -19.325 0.565 24.107 1.00 0.00 H ATOM 564 N ALA A 62 -15.996 0.973 23.771 1.00 29.39 N ATOM 565 CA ALA A 62 -14.687 1.531 23.381 1.00 29.05 C ATOM 566 C ALA A 62 -14.213 2.496 24.459 1.00 30.29 C ATOM 567 O ALA A 62 -13.017 2.502 24.829 1.00 30.43 O ATOM 568 CB ALA A 62 -14.817 2.272 22.055 1.00 28.11 C ATOM 569 H ALA A 62 -16.814 1.128 23.148 1.00 0.00 H ATOM 570 N GLU A 63 -15.196 3.273 24.919 1.00 31.65 N ATOM 571 CA GLU A 63 -14.968 4.256 25.982 1.00 33.37 C ATOM 572 C GLU A 63 -14.583 3.529 27.280 1.00 33.05 C ATOM 573 O GLU A 63 -13.588 3.861 27.923 1.00 33.48 O ATOM 574 CB GLU A 63 -16.218 5.090 26.195 1.00 34.52 C ATOM 575 CG GLU A 63 -16.086 6.480 25.590 1.00 39.25 C ATOM 576 CD GLU A 63 -17.124 7.446 26.120 1.00 47.28 C ATOM 577 OE1 GLU A 63 -18.097 7.811 25.364 1.00 48.28 O ATOM 578 OE2 GLU A 63 -17.024 7.889 27.319 1.00 52.85 O ATOM 579 H GLU A 63 -16.149 3.178 24.513 1.00 0.00 H ATOM 580 N LYS A 64 -15.362 2.539 27.638 1.00 31.79 N ATOM 581 CA LYS A 64 -15.104 1.741 28.839 1.00 32.36 C ATOM 582 C LYS A 64 -13.715 1.093 28.820 1.00 31.58 C ATOM 583 O LYS A 64 -12.958 1.174 29.794 1.00 32.16 O ATOM 584 CB LYS A 64 -16.108 0.593 28.955 1.00 32.58 C ATOM 585 CG LYS A 64 -17.044 0.746 30.136 1.00 35.18 C ATOM 586 CD LYS A 64 -17.993 -0.425 30.298 1.00 36.42 C ATOM 587 CE LYS A 64 -19.429 0.027 30.510 1.00 40.66 C ATOM 588 NZ LYS A 64 -20.222 -0.919 31.295 1.00 44.88 N ATOM 589 HZ1 LYS A 64 -20.250 -1.836 30.805 1.00 0.00 H ATOM 590 HZ2 LYS A 64 -19.788 -1.039 32.233 1.00 0.00 H ATOM 591 HZ3 LYS A 64 -21.189 -0.553 31.403 1.00 0.00 H ATOM 592 H LYS A 64 -16.190 2.312 27.051 1.00 0.00 H ATOM 593 N LEU A 65 -13.381 0.479 27.681 1.00 29.73 N ATOM 594 CA LEU A 65 -12.145 -0.314 27.573 1.00 28.93 C ATOM 595 C LEU A 65 -10.939 0.501 27.018 1.00 27.90 C ATOM 596 O LEU A 65 -9.812 0.008 26.979 1.00 28.01 O ATOM 597 CB LEU A 65 -12.348 -1.506 26.638 1.00 27.92 C ATOM 598 CG LEU A 65 -13.449 -2.473 27.099 1.00 29.77 C ATOM 599 CD1 LEU A 65 -13.539 -3.717 26.208 1.00 29.42 C ATOM 600 CD2 LEU A 65 -13.248 -2.990 28.534 1.00 32.09 C ATOM 601 H LEU A 65 -14.007 0.563 26.854 1.00 0.00 H ATOM 602 N GLY A 66 -11.168 1.743 26.572 1.00 27.80 N ATOM 603 CA GLY A 66 -10.118 2.667 26.048 1.00 27.18 C ATOM 604 C GLY A 66 -9.605 2.204 24.662 1.00 26.25 C ATOM 605 O GLY A 66 -8.397 2.177 24.393 1.00 25.03 O ATOM 606 H GLY A 66 -12.148 2.089 26.592 1.00 0.00 H ATOM 607 N LEU A 67 -10.520 1.904 23.795 1.00 25.76 N ATOM 608 CA LEU A 67 -10.251 1.335 22.465 1.00 25.30 C ATOM 609 C LEU A 67 -10.364 2.364 21.309 1.00 25.62 C ATOM 610 O LEU A 67 -11.225 3.253 21.320 1.00 26.39 O ATOM 611 CB LEU A 67 -11.310 0.270 22.121 1.00 24.38 C ATOM 612 CG LEU A 67 -10.984 -1.167 22.524 1.00 24.71 C ATOM 613 CD1 LEU A 67 -10.708 -1.340 24.024 1.00 25.80 C ATOM 614 CD2 LEU A 67 -12.138 -2.121 22.191 1.00 22.46 C ATOM 615 H LEU A 67 -11.512 2.077 24.057 1.00 0.00 H ATOM 616 N ARG A 68 -9.446 2.226 20.339 1.00 26.02 N ATOM 617 CA ARG A 68 -9.526 2.953 19.058 1.00 27.85 C ATOM 618 C ARG A 68 -10.440 2.167 18.107 1.00 26.37 C ATOM 619 O ARG A 68 -10.321 0.944 17.983 1.00 26.78 O ATOM 620 CB ARG A 68 -8.130 3.051 18.365 1.00 27.21 C ATOM 621 CG ARG A 68 -7.100 3.969 19.042 1.00 30.91 C ATOM 622 CD ARG A 68 -5.659 3.739 18.510 1.00 31.05 C ATOM 623 NE ARG A 68 -5.468 4.210 17.121 1.00 36.92 N ATOM 624 CZ ARG A 68 -4.331 4.074 16.406 1.00 37.77 C ATOM 625 NH1 ARG A 68 -3.244 3.473 16.924 1.00 34.59 N ATOM 626 NH2 ARG A 68 -4.191 4.518 15.149 1.00 39.08 N ATOM 627 HE ARG A 68 -6.272 4.682 16.660 1.00 0.00 H ATOM 628 HH12 ARG A 68 -2.380 3.380 16.353 1.00 0.00 H ATOM 629 HH11 ARG A 68 -3.268 3.101 17.895 1.00 0.00 H ATOM 630 HH22 ARG A 68 -3.290 4.384 14.648 1.00 0.00 H ATOM 631 HH21 ARG A 68 -4.984 4.996 14.675 1.00 0.00 H ATOM 632 H ARG A 68 -8.646 1.580 20.497 1.00 0.00 H ATOM 633 N GLY A 69 -11.373 2.858 17.444 1.00 25.62 N ATOM 634 CA GLY A 69 -12.239 2.184 16.454 1.00 23.72 C ATOM 635 C GLY A 69 -11.350 1.458 15.437 1.00 21.67 C ATOM 636 O GLY A 69 -10.267 1.929 15.081 1.00 22.58 O ATOM 637 H GLY A 69 -11.490 3.875 17.626 1.00 0.00 H ATOM 638 N GLY A 70 -11.805 0.321 14.982 1.00 19.11 N ATOM 639 CA GLY A 70 -11.027 -0.472 14.034 1.00 15.71 C ATOM 640 C GLY A 70 -11.937 -1.416 13.286 1.00 13.57 C ATOM 641 O GLY A 70 -13.034 -1.746 13.723 1.00 15.63 O ATOM 642 H GLY A 70 -12.733 -0.024 15.299 1.00 0.00 H ATOM 643 N VAL A 71 -11.430 -1.833 12.206 1.00 11.15 N ATOM 644 CA VAL A 71 -12.161 -2.719 11.312 1.00 9.25 C ATOM 645 C VAL A 71 -11.404 -4.063 11.062 1.00 8.71 C ATOM 646 O VAL A 71 -11.809 -4.914 10.314 1.00 10.61 O ATOM 647 CB VAL A 71 -12.357 -2.028 9.963 1.00 8.22 C ATOM 648 CG1 VAL A 71 -13.336 -0.847 10.032 1.00 6.54 C ATOM 649 CG2 VAL A 71 -11.048 -1.465 9.402 1.00 5.98 C ATOM 650 H VAL A 71 -10.467 -1.536 11.950 1.00 0.00 H ATOM 651 N GLY A 72 -10.281 -4.318 11.663 1.00 8.38 N ATOM 652 CA GLY A 72 -9.560 -5.594 11.451 1.00 6.93 C ATOM 653 C GLY A 72 -8.494 -5.767 12.543 1.00 7.51 C ATOM 654 O GLY A 72 -8.086 -4.814 13.178 1.00 8.00 O ATOM 655 H GLY A 72 -9.879 -3.609 12.309 1.00 0.00 H ATOM 656 N LEU A 73 -8.072 -6.973 12.746 1.00 7.02 N ATOM 657 CA LEU A 73 -7.050 -7.397 13.722 1.00 7.13 C ATOM 658 C LEU A 73 -6.497 -8.730 13.272 1.00 7.26 C ATOM 659 O LEU A 73 -7.201 -9.571 12.756 1.00 7.99 O ATOM 660 CB LEU A 73 -7.693 -7.547 15.123 1.00 7.23 C ATOM 661 CG LEU A 73 -6.696 -7.801 16.270 1.00 8.91 C ATOM 662 CD1 LEU A 73 -5.959 -6.532 16.711 1.00 8.69 C ATOM 663 CD2 LEU A 73 -7.376 -8.352 17.535 1.00 8.14 C ATOM 664 H LEU A 73 -8.497 -7.721 12.161 1.00 0.00 H ATOM 665 N ALA A 74 -5.269 -8.902 13.439 1.00 6.30 N ATOM 666 CA ALA A 74 -4.577 -10.142 13.097 1.00 6.68 C ATOM 667 C ALA A 74 -3.917 -10.649 14.359 1.00 7.54 C ATOM 668 O ALA A 74 -3.486 -9.864 15.201 1.00 8.56 O ATOM 669 CB ALA A 74 -3.552 -9.862 12.006 1.00 5.57 C ATOM 670 H ALA A 74 -4.712 -8.122 13.842 1.00 0.00 H ATOM 671 N ALA A 75 -3.819 -11.944 14.451 1.00 8.12 N ATOM 672 CA ALA A 75 -3.306 -12.586 15.666 1.00 8.64 C ATOM 673 C ALA A 75 -1.871 -12.098 15.979 1.00 8.98 C ATOM 674 O ALA A 75 -1.529 -11.824 17.136 1.00 9.97 O ATOM 675 CB ALA A 75 -3.302 -14.104 15.496 1.00 8.69 C ATOM 676 H ALA A 75 -4.110 -12.535 13.647 1.00 0.00 H ATOM 677 N PRO A 76 -0.913 -11.961 15.012 1.00 8.14 N ATOM 678 CA PRO A 76 0.412 -11.467 15.357 1.00 8.40 C ATOM 679 C PRO A 76 0.363 -10.121 16.108 1.00 9.83 C ATOM 680 O PRO A 76 1.320 -9.805 16.868 1.00 9.99 O ATOM 681 CB PRO A 76 1.152 -11.428 14.029 1.00 8.58 C ATOM 682 CG PRO A 76 0.215 -11.968 12.956 1.00 7.68 C ATOM 683 CD PRO A 76 -1.103 -12.312 13.592 1.00 7.01 C ATOM 684 N GLN A 77 -0.698 -9.329 15.968 1.00 9.13 N ATOM 685 CA GLN A 77 -0.783 -8.048 16.700 1.00 9.88 C ATOM 686 C GLN A 77 -0.999 -8.295 18.209 1.00 10.21 C ATOM 687 O GLN A 77 -0.805 -7.401 19.040 1.00 11.14 O ATOM 688 CB GLN A 77 -1.934 -7.214 16.163 1.00 8.70 C ATOM 689 CG GLN A 77 -1.603 -6.565 14.826 1.00 9.53 C ATOM 690 CD GLN A 77 -2.750 -5.745 14.276 1.00 10.40 C ATOM 691 OE1 GLN A 77 -3.848 -6.276 14.104 1.00 12.60 O ATOM 692 NE2 GLN A 77 -2.559 -4.474 13.987 1.00 10.38 N ATOM 693 HE22 GLN A 77 -1.626 -4.041 14.138 1.00 0.00 H ATOM 694 HE21 GLN A 77 -3.342 -3.904 13.608 1.00 0.00 H ATOM 695 H GLN A 77 -1.474 -9.615 15.338 1.00 0.00 H ATOM 696 N LEU A 78 -1.401 -9.522 18.545 1.00 10.01 N ATOM 697 CA LEU A 78 -1.611 -9.944 19.947 1.00 11.13 C ATOM 698 C LEU A 78 -0.458 -10.829 20.440 1.00 12.67 C ATOM 699 O LEU A 78 -0.580 -11.517 21.459 1.00 13.13 O ATOM 700 CB LEU A 78 -2.881 -10.777 20.087 1.00 10.93 C ATOM 701 CG LEU A 78 -4.143 -10.064 19.660 1.00 10.21 C ATOM 702 CD1 LEU A 78 -5.339 -11.015 19.617 1.00 10.95 C ATOM 703 CD2 LEU A 78 -4.519 -8.920 20.607 1.00 9.31 C ATOM 704 H LEU A 78 -1.574 -10.213 17.787 1.00 0.00 H ATOM 705 N ASP A 79 0.616 -10.800 19.694 1.00 13.07 N ATOM 706 CA ASP A 79 1.843 -11.567 19.971 1.00 14.34 C ATOM 707 C ASP A 79 1.633 -13.086 19.747 1.00 13.80 C ATOM 708 O ASP A 79 2.319 -13.920 20.343 1.00 14.55 O ATOM 709 CB ASP A 79 2.292 -11.366 21.422 1.00 16.19 C ATOM 710 CG ASP A 79 3.803 -11.506 21.587 1.00 21.01 C ATOM 711 OD1 ASP A 79 4.581 -11.241 20.596 1.00 23.02 O ATOM 712 OD2 ASP A 79 4.296 -11.888 22.714 1.00 26.43 O ATOM 713 H ASP A 79 0.603 -10.195 18.848 1.00 0.00 H ATOM 714 N ILE A 80 0.677 -13.444 18.902 1.00 12.22 N ATOM 715 CA ILE A 80 0.374 -14.854 18.541 1.00 11.42 C ATOM 716 C ILE A 80 0.680 -15.055 17.055 1.00 10.81 C ATOM 717 O ILE A 80 -0.046 -14.579 16.186 1.00 9.27 O ATOM 718 CB ILE A 80 -1.103 -15.147 18.798 1.00 10.86 C ATOM 719 CG1 ILE A 80 -1.534 -14.868 20.250 1.00 12.79 C ATOM 720 CG2 ILE A 80 -1.465 -16.607 18.514 1.00 11.15 C ATOM 721 CD1 ILE A 80 -0.691 -15.612 21.288 1.00 17.75 C ATOM 722 H ILE A 80 0.104 -12.694 18.465 1.00 0.00 H ATOM 723 N SER A 81 1.756 -15.788 16.752 1.00 9.78 N ATOM 724 CA SER A 81 2.201 -15.939 15.348 1.00 9.58 C ATOM 725 C SER A 81 1.445 -17.069 14.626 1.00 10.05 C ATOM 726 O SER A 81 2.028 -18.100 14.258 1.00 11.53 O ATOM 727 CB SER A 81 3.700 -16.261 15.289 1.00 10.84 C ATOM 728 OG SER A 81 4.256 -15.767 14.072 1.00 10.39 O ATOM 729 HG SER A 81 4.130 -14.786 14.027 1.00 0.00 H ATOM 730 H SER A 81 2.287 -16.258 17.512 1.00 0.00 H ATOM 731 N LYS A 82 0.158 -16.837 14.446 1.00 8.37 N ATOM 732 CA LYS A 82 -0.731 -17.771 13.739 1.00 9.22 C ATOM 733 C LYS A 82 -1.493 -17.009 12.663 1.00 8.46 C ATOM 734 O LYS A 82 -1.738 -15.803 12.789 1.00 7.19 O ATOM 735 CB LYS A 82 -1.705 -18.403 14.729 1.00 9.05 C ATOM 736 CG LYS A 82 -1.042 -19.502 15.553 1.00 11.88 C ATOM 737 CD LYS A 82 -1.993 -20.214 16.503 1.00 15.33 C ATOM 738 CE LYS A 82 -1.274 -21.242 17.371 1.00 22.94 C ATOM 739 NZ LYS A 82 -2.076 -22.441 17.625 1.00 26.48 N ATOM 740 HZ1 LYS A 82 -2.953 -22.172 18.115 1.00 0.00 H ATOM 741 HZ2 LYS A 82 -2.309 -22.899 16.721 1.00 0.00 H ATOM 742 HZ3 LYS A 82 -1.534 -23.100 18.219 1.00 0.00 H ATOM 743 H LYS A 82 -0.245 -15.955 14.821 1.00 0.00 H ATOM 744 N ARG A 83 -1.850 -17.733 11.621 1.00 8.48 N ATOM 745 CA ARG A 83 -2.569 -17.146 10.487 1.00 7.78 C ATOM 746 C ARG A 83 -4.073 -17.100 10.812 1.00 7.77 C ATOM 747 O ARG A 83 -4.868 -17.924 10.343 1.00 7.80 O ATOM 748 CB ARG A 83 -2.306 -17.990 9.227 1.00 8.44 C ATOM 749 CG ARG A 83 -0.802 -18.128 8.916 1.00 8.48 C ATOM 750 CD ARG A 83 -0.517 -18.794 7.570 1.00 9.69 C ATOM 751 NE ARG A 83 -0.767 -17.902 6.439 1.00 11.75 N ATOM 752 CZ ARG A 83 0.023 -16.886 6.105 1.00 12.38 C ATOM 753 NH1 ARG A 83 1.133 -16.621 6.811 1.00 13.27 N ATOM 754 NH2 ARG A 83 -0.218 -16.072 5.076 1.00 13.79 N ATOM 755 HE ARG A 83 -1.614 -18.073 5.861 1.00 0.00 H ATOM 756 HH12 ARG A 83 1.743 -15.824 6.540 1.00 0.00 H ATOM 757 HH11 ARG A 83 1.383 -17.213 7.629 1.00 0.00 H ATOM 758 HH22 ARG A 83 0.438 -15.293 4.864 1.00 0.00 H ATOM 759 HH21 ARG A 83 -1.062 -16.216 4.486 1.00 0.00 H ATOM 760 H ARG A 83 -1.616 -18.746 11.603 1.00 0.00 H ATOM 761 N ILE A 84 -4.407 -16.136 11.628 1.00 7.15 N ATOM 762 CA ILE A 84 -5.783 -15.866 12.048 1.00 7.27 C ATOM 763 C ILE A 84 -6.032 -14.373 12.015 1.00 7.14 C ATOM 764 O ILE A 84 -5.261 -13.592 12.572 1.00 6.72 O ATOM 765 CB ILE A 84 -6.021 -16.364 13.494 1.00 8.22 C ATOM 766 CG1 ILE A 84 -5.614 -17.837 13.697 1.00 8.78 C ATOM 767 CG2 ILE A 84 -7.499 -16.259 13.918 1.00 7.37 C ATOM 768 CD1 ILE A 84 -5.775 -18.330 15.145 1.00 9.78 C ATOM 769 H ILE A 84 -3.652 -15.525 12.001 1.00 0.00 H ATOM 770 N ILE A 85 -7.090 -13.987 11.343 1.00 7.39 N ATOM 771 CA ILE A 85 -7.494 -12.574 11.291 1.00 6.83 C ATOM 772 C ILE A 85 -9.020 -12.472 11.437 1.00 7.39 C ATOM 773 O ILE A 85 -9.762 -13.423 11.223 1.00 7.42 O ATOM 774 CB ILE A 85 -7.077 -11.930 9.942 1.00 6.88 C ATOM 775 CG1 ILE A 85 -7.943 -12.418 8.760 1.00 6.66 C ATOM 776 CG2 ILE A 85 -5.612 -12.225 9.562 1.00 5.22 C ATOM 777 CD1 ILE A 85 -7.563 -11.793 7.408 1.00 6.53 C ATOM 778 H ILE A 85 -7.656 -14.696 10.835 1.00 0.00 H ATOM 779 N ALA A 86 -9.444 -11.345 11.817 1.00 6.93 N ATOM 780 CA ALA A 86 -10.854 -10.998 11.956 1.00 7.21 C ATOM 781 C ALA A 86 -11.067 -9.663 11.276 1.00 7.06 C ATOM 782 O ALA A 86 -10.232 -8.760 11.383 1.00 6.92 O ATOM 783 CB ALA A 86 -11.222 -10.906 13.449 1.00 6.92 C ATOM 784 H ALA A 86 -8.740 -10.615 12.046 1.00 0.00 H ATOM 785 N VAL A 87 -12.152 -9.571 10.562 1.00 7.13 N ATOM 786 CA VAL A 87 -12.517 -8.324 9.880 1.00 7.31 C ATOM 787 C VAL A 87 -13.984 -8.036 10.138 1.00 8.13 C ATOM 788 O VAL A 87 -14.831 -8.940 10.126 1.00 8.00 O ATOM 789 CB VAL A 87 -12.260 -8.439 8.373 1.00 7.45 C ATOM 790 CG1 VAL A 87 -10.769 -8.567 8.046 1.00 7.74 C ATOM 791 CG2 VAL A 87 -12.939 -9.652 7.729 1.00 8.19 C ATOM 792 H VAL A 87 -12.774 -10.400 10.473 1.00 0.00 H ATOM 793 N LEU A 88 -14.241 -6.796 10.357 1.00 8.06 N ATOM 794 CA LEU A 88 -15.581 -6.297 10.670 1.00 8.52 C ATOM 795 C LEU A 88 -15.750 -4.912 10.079 1.00 8.84 C ATOM 796 O LEU A 88 -15.305 -3.923 10.657 1.00 9.03 O ATOM 797 CB LEU A 88 -15.739 -6.221 12.185 1.00 8.24 C ATOM 798 CG LEU A 88 -17.177 -6.033 12.631 1.00 9.03 C ATOM 799 CD1 LEU A 88 -18.028 -7.276 12.390 1.00 9.77 C ATOM 800 CD2 LEU A 88 -17.288 -5.717 14.126 1.00 9.71 C ATOM 801 H LEU A 88 -13.458 -6.113 10.309 1.00 0.00 H ATOM 802 N VAL A 89 -16.391 -4.850 8.918 1.00 9.58 N ATOM 803 CA VAL A 89 -16.593 -3.565 8.225 1.00 9.92 C ATOM 804 C VAL A 89 -18.086 -3.223 8.210 1.00 11.52 C ATOM 805 O VAL A 89 -18.878 -3.867 7.494 1.00 10.80 O ATOM 806 CB VAL A 89 -16.061 -3.661 6.806 1.00 9.28 C ATOM 807 CG1 VAL A 89 -16.278 -2.375 6.008 1.00 9.97 C ATOM 808 CG2 VAL A 89 -14.553 -3.943 6.767 1.00 8.90 C ATOM 809 H VAL A 89 -16.757 -5.724 8.490 1.00 0.00 H ATOM 810 N PRO A 90 -18.503 -2.229 9.012 1.00 12.36 N ATOM 811 CA PRO A 90 -19.895 -1.815 9.107 1.00 13.35 C ATOM 812 C PRO A 90 -20.409 -1.077 7.897 1.00 14.09 C ATOM 813 O PRO A 90 -19.614 -0.365 7.217 1.00 12.27 O ATOM 814 CB PRO A 90 -19.919 -0.772 10.199 1.00 14.45 C ATOM 815 CG PRO A 90 -18.486 -0.550 10.654 1.00 14.44 C ATOM 816 CD PRO A 90 -17.584 -1.452 9.866 1.00 12.69 C ATOM 817 N ASN A 91 -21.694 -1.276 7.617 1.00 15.44 N ATOM 818 CA ASN A 91 -22.392 -0.421 6.647 1.00 17.40 C ATOM 819 C ASN A 91 -22.815 0.799 7.418 1.00 18.39 C ATOM 820 O ASN A 91 -22.798 0.800 8.649 1.00 18.87 O ATOM 821 CB ASN A 91 -23.583 -1.156 6.057 1.00 17.26 C ATOM 822 CG ASN A 91 -23.180 -2.134 4.967 1.00 18.40 C ATOM 823 OD1 ASN A 91 -23.813 -3.177 4.823 1.00 19.48 O ATOM 824 ND2 ASN A 91 -22.153 -1.850 4.189 1.00 15.40 N ATOM 825 HD22 ASN A 91 -21.628 -0.963 4.324 1.00 0.00 H ATOM 826 HD21 ASN A 91 -21.869 -2.514 3.440 1.00 0.00 H ATOM 827 H ASN A 91 -22.210 -2.045 8.090 1.00 0.00 H ATOM 828 N VAL A 92 -23.239 1.809 6.729 1.00 19.63 N ATOM 829 CA VAL A 92 -23.527 3.068 7.412 1.00 21.58 C ATOM 830 C VAL A 92 -25.014 3.486 7.193 1.00 22.91 C ATOM 831 O VAL A 92 -25.648 3.141 6.189 1.00 22.75 O ATOM 832 CB VAL A 92 -22.572 4.113 6.850 1.00 22.25 C ATOM 833 CG1 VAL A 92 -23.215 5.026 5.803 1.00 22.38 C ATOM 834 CG2 VAL A 92 -22.003 5.020 7.939 1.00 24.34 C ATOM 835 H VAL A 92 -23.373 1.725 5.701 1.00 0.00 H ATOM 836 N GLU A 93 -25.551 4.215 8.166 1.00 22.86 N ATOM 837 CA GLU A 93 -26.933 4.736 8.130 1.00 24.56 C ATOM 838 C GLU A 93 -27.118 5.657 6.935 1.00 23.89 C ATOM 839 O GLU A 93 -26.155 6.195 6.386 1.00 23.90 O ATOM 840 CB GLU A 93 -27.211 5.561 9.387 1.00 25.79 C ATOM 841 CG GLU A 93 -27.697 4.735 10.560 1.00 28.62 C ATOM 842 CD GLU A 93 -27.903 5.571 11.812 1.00 35.08 C ATOM 843 OE1 GLU A 93 -27.839 6.856 11.743 1.00 34.69 O ATOM 844 OE2 GLU A 93 -28.141 4.987 12.932 1.00 39.48 O ATOM 845 H GLU A 93 -24.966 4.431 8.999 1.00 0.00 H ATOM 846 N ASP A 94 -28.378 5.836 6.498 1.00 23.30 N ATOM 847 CA ASP A 94 -28.604 6.803 5.406 1.00 23.04 C ATOM 848 C ASP A 94 -28.787 8.199 6.044 1.00 23.19 C ATOM 849 O ASP A 94 -28.731 8.357 7.270 1.00 23.05 O ATOM 850 CB ASP A 94 -29.826 6.390 4.560 1.00 23.71 C ATOM 851 CG ASP A 94 -31.124 6.296 5.341 1.00 22.48 C ATOM 852 OD1 ASP A 94 -31.326 7.074 6.335 1.00 22.56 O ATOM 853 OD2 ASP A 94 -32.014 5.433 4.993 1.00 25.64 O ATOM 854 H ASP A 94 -29.170 5.308 6.918 1.00 0.00 H ATOM 855 N ALA A 95 -29.028 9.215 5.222 1.00 23.93 N ATOM 856 CA ALA A 95 -29.115 10.602 5.723 1.00 24.87 C ATOM 857 C ALA A 95 -30.378 10.824 6.603 1.00 26.37 C ATOM 858 O ALA A 95 -30.492 11.821 7.320 1.00 28.02 O ATOM 859 CB ALA A 95 -29.160 11.595 4.557 1.00 25.40 C ATOM 860 H ALA A 95 -29.158 9.030 4.207 1.00 0.00 H ATOM 861 N GLN A 96 -31.337 9.892 6.560 1.00 25.49 N ATOM 862 CA GLN A 96 -32.561 10.022 7.376 1.00 26.49 C ATOM 863 C GLN A 96 -32.379 9.319 8.746 1.00 25.90 C ATOM 864 O GLN A 96 -33.242 9.383 9.628 1.00 27.09 O ATOM 865 CB GLN A 96 -33.763 9.390 6.652 1.00 27.06 C ATOM 866 CG GLN A 96 -34.299 10.239 5.485 1.00 29.86 C ATOM 867 CD GLN A 96 -33.338 10.315 4.290 1.00 31.42 C ATOM 868 OE1 GLN A 96 -33.035 11.413 3.816 1.00 32.42 O ATOM 869 NE2 GLN A 96 -32.835 9.208 3.772 1.00 31.21 N ATOM 870 HE22 GLN A 96 -33.091 8.283 4.173 1.00 0.00 H ATOM 871 HE21 GLN A 96 -32.183 9.262 2.964 1.00 0.00 H ATOM 872 H GLN A 96 -31.219 9.063 5.943 1.00 0.00 H ATOM 873 N GLY A 97 -31.260 8.626 8.899 1.00 23.98 N ATOM 874 CA GLY A 97 -30.933 7.958 10.164 1.00 23.37 C ATOM 875 C GLY A 97 -31.406 6.489 10.178 1.00 22.09 C ATOM 876 O GLY A 97 -31.419 5.824 11.220 1.00 22.65 O ATOM 877 H GLY A 97 -30.596 8.554 8.102 1.00 0.00 H ATOM 878 N ASN A 98 -31.802 5.972 9.027 1.00 21.06 N ATOM 879 CA ASN A 98 -32.241 4.568 8.984 1.00 19.91 C ATOM 880 C ASN A 98 -31.048 3.635 8.923 1.00 18.76 C ATOM 881 O ASN A 98 -30.146 3.809 8.081 1.00 17.29 O ATOM 882 CB ASN A 98 -33.088 4.300 7.742 1.00 20.14 C ATOM 883 CG ASN A 98 -34.389 5.078 7.723 1.00 20.65 C ATOM 884 OD1 ASN A 98 -35.141 5.034 8.696 1.00 20.51 O ATOM 885 ND2 ASN A 98 -34.701 5.795 6.662 1.00 18.31 N ATOM 886 HD22 ASN A 98 -34.057 5.824 5.846 1.00 0.00 H ATOM 887 HD21 ASN A 98 -35.591 6.332 6.641 1.00 0.00 H ATOM 888 H ASN A 98 -31.803 6.551 8.163 1.00 0.00 H ATOM 889 N PRO A 99 -30.959 2.625 9.803 1.00 19.14 N ATOM 890 CA PRO A 99 -29.867 1.680 9.741 1.00 19.93 C ATOM 891 C PRO A 99 -29.839 0.996 8.380 1.00 20.18 C ATOM 892 O PRO A 99 -30.900 0.958 7.672 1.00 21.37 O ATOM 893 CB PRO A 99 -30.142 0.736 10.895 1.00 20.36 C ATOM 894 CG PRO A 99 -31.406 1.212 11.598 1.00 21.57 C ATOM 895 CD PRO A 99 -31.929 2.415 10.883 1.00 20.37 C ATOM 896 N PRO A 100 -28.670 0.460 7.945 1.00 19.74 N ATOM 897 CA PRO A 100 -28.548 -0.214 6.657 1.00 19.51 C ATOM 898 C PRO A 100 -29.308 -1.531 6.669 1.00 20.07 C ATOM 899 O PRO A 100 -29.576 -2.061 7.782 1.00 20.59 O ATOM 900 CB PRO A 100 -27.093 -0.578 6.550 1.00 17.94 C ATOM 901 CG PRO A 100 -26.416 -0.159 7.836 1.00 18.67 C ATOM 902 CD PRO A 100 -27.419 0.508 8.722 1.00 18.65 C ATOM 903 N LYS A 101 -29.643 -2.065 5.449 1.00 20.23 N ATOM 904 CA LYS A 101 -30.243 -3.407 5.276 1.00 21.79 C ATOM 905 C LYS A 101 -29.400 -4.458 5.994 1.00 20.73 C ATOM 906 O LYS A 101 -29.922 -5.271 6.768 1.00 21.93 O ATOM 907 CB LYS A 101 -30.285 -3.803 3.808 1.00 21.54 C ATOM 908 CG LYS A 101 -31.264 -3.016 2.960 1.00 24.85 C ATOM 909 CD LYS A 101 -31.326 -3.555 1.531 1.00 25.50 C ATOM 910 CE LYS A 101 -31.774 -2.515 0.518 1.00 31.75 C ATOM 911 NZ LYS A 101 -30.916 -1.325 0.509 1.00 34.22 N ATOM 912 HZ1 LYS A 101 -30.931 -0.881 1.449 1.00 0.00 H ATOM 913 HZ2 LYS A 101 -29.942 -1.603 0.271 1.00 0.00 H ATOM 914 HZ3 LYS A 101 -31.268 -0.650 -0.200 1.00 0.00 H ATOM 915 H LYS A 101 -29.465 -1.494 4.598 1.00 0.00 H ATOM 916 N GLU A 102 -28.120 -4.406 5.684 1.00 19.33 N ATOM 917 CA GLU A 102 -27.063 -5.260 6.257 1.00 18.00 C ATOM 918 C GLU A 102 -26.233 -4.461 7.242 1.00 15.97 C ATOM 919 O GLU A 102 -25.725 -3.398 6.914 1.00 15.29 O ATOM 920 CB GLU A 102 -26.106 -5.747 5.164 1.00 17.81 C ATOM 921 CG GLU A 102 -26.781 -6.517 4.048 1.00 22.68 C ATOM 922 CD GLU A 102 -27.024 -7.952 4.434 1.00 25.85 C ATOM 923 OE1 GLU A 102 -27.221 -8.835 3.523 1.00 27.67 O ATOM 924 OE2 GLU A 102 -27.030 -8.267 5.678 1.00 27.78 O ATOM 925 H GLU A 102 -27.831 -3.703 4.975 1.00 0.00 H ATOM 926 N ALA A 103 -26.075 -4.973 8.439 1.00 15.19 N ATOM 927 CA ALA A 103 -25.287 -4.252 9.449 1.00 14.81 C ATOM 928 C ALA A 103 -23.798 -4.152 9.020 1.00 13.89 C ATOM 929 O ALA A 103 -23.134 -3.135 9.243 1.00 13.81 O ATOM 930 CB ALA A 103 -25.365 -4.977 10.800 1.00 14.48 C ATOM 931 H ALA A 103 -26.507 -5.889 8.674 1.00 0.00 H ATOM 932 N TYR A 104 -23.284 -5.205 8.376 1.00 12.86 N ATOM 933 CA TYR A 104 -21.868 -5.247 7.960 1.00 11.99 C ATOM 934 C TYR A 104 -21.733 -5.696 6.504 1.00 12.08 C ATOM 935 O TYR A 104 -22.482 -6.551 6.024 1.00 12.07 O ATOM 936 CB TYR A 104 -21.107 -6.250 8.840 1.00 11.71 C ATOM 937 CG TYR A 104 -21.193 -5.887 10.317 1.00 11.88 C ATOM 938 CD1 TYR A 104 -20.371 -4.885 10.824 1.00 10.53 C ATOM 939 CD2 TYR A 104 -22.093 -6.552 11.159 1.00 12.67 C ATOM 940 CE1 TYR A 104 -20.448 -4.531 12.170 1.00 11.20 C ATOM 941 CE2 TYR A 104 -22.173 -6.196 12.510 1.00 12.74 C ATOM 942 CZ TYR A 104 -21.350 -5.179 13.015 1.00 14.34 C ATOM 943 OH TYR A 104 -21.423 -4.816 14.322 1.00 15.58 O ATOM 944 HH TYR A 104 -20.774 -4.089 14.498 1.00 0.00 H ATOM 945 H TYR A 104 -23.898 -6.017 8.162 1.00 0.00 H ATOM 946 N SER A 105 -20.757 -5.085 5.800 1.00 12.07 N ATOM 947 CA SER A 105 -20.493 -5.519 4.421 1.00 12.93 C ATOM 948 C SER A 105 -19.482 -6.703 4.438 1.00 12.89 C ATOM 949 O SER A 105 -19.259 -7.361 3.428 1.00 12.75 O ATOM 950 CB SER A 105 -19.943 -4.354 3.576 1.00 12.81 C ATOM 951 OG SER A 105 -18.742 -3.861 4.131 1.00 14.43 O ATOM 952 HG SER A 105 -18.069 -4.586 4.155 1.00 0.00 H ATOM 953 H SER A 105 -20.200 -4.318 6.227 1.00 0.00 H ATOM 954 N LEU A 106 -18.878 -6.951 5.603 1.00 12.28 N ATOM 955 CA LEU A 106 -17.938 -8.064 5.840 1.00 12.48 C ATOM 956 C LEU A 106 -17.778 -8.270 7.333 1.00 11.91 C ATOM 957 O LEU A 106 -17.496 -7.335 8.086 1.00 11.85 O ATOM 958 CB LEU A 106 -16.562 -7.754 5.221 1.00 13.99 C ATOM 959 CG LEU A 106 -15.604 -8.960 5.171 1.00 15.43 C ATOM 960 CD1 LEU A 106 -15.885 -9.907 3.996 1.00 18.76 C ATOM 961 CD2 LEU A 106 -14.142 -8.534 5.025 1.00 19.93 C ATOM 962 H LEU A 106 -19.085 -6.315 6.399 1.00 0.00 H ATOM 963 N GLN A 107 -17.979 -9.456 7.702 1.00 11.80 N ATOM 964 CA GLN A 107 -17.847 -9.920 9.079 1.00 11.73 C ATOM 965 C GLN A 107 -17.393 -11.364 9.055 1.00 11.58 C ATOM 966 O GLN A 107 -18.181 -12.265 8.770 1.00 11.75 O ATOM 967 CB GLN A 107 -19.202 -9.815 9.803 1.00 11.83 C ATOM 968 CG GLN A 107 -19.190 -10.486 11.184 1.00 12.47 C ATOM 969 CD GLN A 107 -20.458 -10.225 11.998 1.00 16.16 C ATOM 970 OE1 GLN A 107 -20.417 -10.269 13.229 1.00 22.10 O ATOM 971 NE2 GLN A 107 -21.593 -9.954 11.380 1.00 18.50 N ATOM 972 HE22 GLN A 107 -21.624 -9.918 10.341 1.00 0.00 H ATOM 973 HE21 GLN A 107 -22.456 -9.777 11.932 1.00 0.00 H ATOM 974 H GLN A 107 -18.257 -10.150 6.979 1.00 0.00 H ATOM 975 N GLU A 108 -16.115 -11.560 9.368 1.00 11.16 N ATOM 976 CA GLU A 108 -15.543 -12.913 9.357 1.00 11.15 C ATOM 977 C GLU A 108 -14.288 -13.057 10.196 1.00 10.11 C ATOM 978 O GLU A 108 -13.512 -12.107 10.342 1.00 9.25 O ATOM 979 CB GLU A 108 -15.045 -13.319 7.941 1.00 11.88 C ATOM 980 CG GLU A 108 -16.118 -13.343 6.877 1.00 16.79 C ATOM 981 CD GLU A 108 -17.079 -14.491 7.067 1.00 23.88 C ATOM 982 OE1 GLU A 108 -16.684 -15.555 7.684 1.00 25.49 O ATOM 983 OE2 GLU A 108 -18.275 -14.390 6.616 1.00 25.51 O ATOM 984 H GLU A 108 -15.516 -10.749 9.623 1.00 0.00 H ATOM 985 N VAL A 109 -14.163 -14.237 10.781 1.00 9.43 N ATOM 986 CA VAL A 109 -12.887 -14.675 11.357 1.00 8.63 C ATOM 987 C VAL A 109 -12.328 -15.682 10.366 1.00 8.47 C ATOM 988 O VAL A 109 -12.913 -16.746 10.128 1.00 8.74 O ATOM 989 CB VAL A 109 -13.093 -15.288 12.755 1.00 9.22 C ATOM 990 CG1 VAL A 109 -11.765 -15.710 13.407 1.00 8.73 C ATOM 991 CG2 VAL A 109 -13.765 -14.319 13.743 1.00 10.06 C ATOM 992 H VAL A 109 -14.988 -14.868 10.834 1.00 0.00 H ATOM 993 N MET A 110 -11.199 -15.331 9.798 1.00 7.79 N ATOM 994 CA MET A 110 -10.574 -16.146 8.748 1.00 8.10 C ATOM 995 C MET A 110 -9.284 -16.816 9.234 1.00 7.10 C ATOM 996 O MET A 110 -8.413 -16.169 9.824 1.00 6.73 O ATOM 997 CB MET A 110 -10.194 -15.272 7.548 1.00 8.13 C ATOM 998 CG MET A 110 -11.369 -14.505 6.955 1.00 7.40 C ATOM 999 SD MET A 110 -10.923 -13.576 5.510 1.00 11.19 S ATOM 1000 CE MET A 110 -12.255 -12.489 5.081 1.00 8.70 C ATOM 1001 H MET A 110 -10.733 -14.451 10.099 1.00 0.00 H ATOM 1002 N TYR A 111 -9.222 -18.113 8.989 1.00 6.79 N ATOM 1003 CA TYR A 111 -8.038 -18.929 9.281 1.00 7.45 C ATOM 1004 C TYR A 111 -7.337 -19.257 7.947 1.00 8.36 C ATOM 1005 O TYR A 111 -7.999 -19.604 6.956 1.00 8.19 O ATOM 1006 CB TYR A 111 -8.470 -20.207 10.022 1.00 8.40 C ATOM 1007 CG TYR A 111 -9.069 -19.923 11.420 1.00 8.66 C ATOM 1008 CD1 TYR A 111 -10.456 -19.767 11.581 1.00 10.42 C ATOM 1009 CD2 TYR A 111 -8.230 -19.816 12.543 1.00 8.33 C ATOM 1010 CE1 TYR A 111 -10.996 -19.507 12.854 1.00 10.52 C ATOM 1011 CE2 TYR A 111 -8.772 -19.558 13.812 1.00 8.42 C ATOM 1012 CZ TYR A 111 -10.152 -19.403 13.967 1.00 11.36 C ATOM 1013 OH TYR A 111 -10.675 -19.155 15.201 1.00 11.54 O ATOM 1014 HH TYR A 111 -11.659 -19.074 15.131 1.00 0.00 H ATOM 1015 H TYR A 111 -10.052 -18.578 8.569 1.00 0.00 H ATOM 1016 N ASN A 112 -6.017 -19.121 7.993 1.00 8.27 N ATOM 1017 CA ASN A 112 -5.105 -19.340 6.847 1.00 9.77 C ATOM 1018 C ASN A 112 -5.625 -18.613 5.599 1.00 9.28 C ATOM 1019 O ASN A 112 -5.750 -19.204 4.514 1.00 9.09 O ATOM 1020 CB ASN A 112 -4.986 -20.833 6.532 1.00 9.37 C ATOM 1021 CG ASN A 112 -4.553 -21.649 7.744 1.00 11.12 C ATOM 1022 OD1 ASN A 112 -3.933 -21.104 8.657 1.00 11.10 O ATOM 1023 ND2 ASN A 112 -4.848 -22.934 7.813 1.00 11.78 N ATOM 1024 HD22 ASN A 112 -5.372 -23.390 7.039 1.00 0.00 H ATOM 1025 HD21 ASN A 112 -4.556 -23.491 8.642 1.00 0.00 H ATOM 1026 H ASN A 112 -5.593 -18.840 8.900 1.00 0.00 H ATOM 1027 N PRO A 113 -5.979 -17.305 5.664 1.00 9.12 N ATOM 1028 CA PRO A 113 -6.448 -16.590 4.492 1.00 8.53 C ATOM 1029 C PRO A 113 -5.313 -16.326 3.548 1.00 8.62 C ATOM 1030 O PRO A 113 -4.147 -16.232 4.001 1.00 8.81 O ATOM 1031 CB PRO A 113 -6.844 -15.229 4.989 1.00 7.28 C ATOM 1032 CG PRO A 113 -6.498 -15.161 6.465 1.00 8.67 C ATOM 1033 CD PRO A 113 -5.910 -16.482 6.888 1.00 9.07 C ATOM 1034 N LYS A 114 -5.568 -16.194 2.266 1.00 8.88 N ATOM 1035 CA LYS A 114 -4.510 -15.748 1.332 1.00 9.29 C ATOM 1036 C LYS A 114 -5.168 -15.206 0.045 1.00 8.58 C ATOM 1037 O LYS A 114 -6.314 -15.510 -0.266 1.00 9.83 O ATOM 1038 CB LYS A 114 -3.549 -16.940 0.995 1.00 10.11 C ATOM 1039 CG LYS A 114 -4.106 -17.950 -0.013 1.00 12.70 C ATOM 1040 CD LYS A 114 -3.147 -19.124 -0.305 1.00 15.00 C ATOM 1041 CE LYS A 114 -3.891 -20.349 -0.861 1.00 23.72 C ATOM 1042 NZ LYS A 114 -3.013 -21.474 -1.228 1.00 28.62 N ATOM 1043 HZ1 LYS A 114 -2.343 -21.165 -1.961 1.00 0.00 H ATOM 1044 HZ2 LYS A 114 -2.488 -21.791 -0.388 1.00 0.00 H ATOM 1045 HZ3 LYS A 114 -3.591 -22.258 -1.593 1.00 0.00 H ATOM 1046 H LYS A 114 -6.520 -16.404 1.905 1.00 0.00 H ATOM 1047 N VAL A 115 -4.447 -14.345 -0.670 1.00 8.34 N ATOM 1048 CA VAL A 115 -4.908 -13.854 -1.980 1.00 8.66 C ATOM 1049 C VAL A 115 -4.497 -14.861 -3.023 1.00 10.42 C ATOM 1050 O VAL A 115 -3.315 -15.203 -3.153 1.00 11.25 O ATOM 1051 CB VAL A 115 -4.254 -12.494 -2.322 1.00 7.98 C ATOM 1052 CG1 VAL A 115 -4.716 -11.939 -3.680 1.00 7.03 C ATOM 1053 CG2 VAL A 115 -4.551 -11.388 -1.294 1.00 7.46 C ATOM 1054 H VAL A 115 -3.536 -14.011 -0.295 1.00 0.00 H ATOM 1055 N VAL A 116 -5.474 -15.364 -3.796 1.00 11.12 N ATOM 1056 CA VAL A 116 -5.035 -16.339 -4.804 1.00 13.18 C ATOM 1057 C VAL A 116 -4.987 -15.684 -6.210 1.00 13.49 C ATOM 1058 O VAL A 116 -4.409 -16.231 -7.140 1.00 13.64 O ATOM 1059 CB VAL A 116 -5.942 -17.577 -4.810 1.00 14.48 C ATOM 1060 CG1 VAL A 116 -5.776 -18.402 -3.523 1.00 15.02 C ATOM 1061 CG2 VAL A 116 -7.436 -17.266 -4.929 1.00 14.74 C ATOM 1062 H VAL A 116 -6.470 -15.083 -3.689 1.00 0.00 H ATOM 1063 N SER A 117 -5.604 -14.522 -6.375 1.00 12.76 N ATOM 1064 CA SER A 117 -5.519 -13.729 -7.627 1.00 14.45 C ATOM 1065 C SER A 117 -5.980 -12.305 -7.329 1.00 12.68 C ATOM 1066 O SER A 117 -6.594 -12.036 -6.294 1.00 11.59 O ATOM 1067 CB SER A 117 -6.387 -14.359 -8.730 1.00 15.05 C ATOM 1068 OG SER A 117 -7.737 -13.965 -8.593 1.00 19.77 O ATOM 1069 HG SER A 117 -8.276 -14.381 -9.312 1.00 0.00 H ATOM 1070 H SER A 117 -6.175 -14.148 -5.590 1.00 0.00 H ATOM 1071 N HIS A 118 -5.691 -11.406 -8.241 1.00 11.98 N ATOM 1072 CA HIS A 118 -6.022 -9.987 -8.045 1.00 10.83 C ATOM 1073 C HIS A 118 -5.999 -9.246 -9.378 1.00 12.22 C ATOM 1074 O HIS A 118 -5.497 -9.755 -10.385 1.00 12.32 O ATOM 1075 CB HIS A 118 -4.987 -9.347 -7.133 1.00 10.35 C ATOM 1076 CG HIS A 118 -3.585 -9.475 -7.714 1.00 9.44 C ATOM 1077 ND1 HIS A 118 -2.996 -8.449 -8.442 1.00 11.52 N ATOM 1078 CD2 HIS A 118 -2.681 -10.487 -7.678 1.00 9.69 C ATOM 1079 CE1 HIS A 118 -1.796 -8.850 -8.817 1.00 11.06 C ATOM 1080 NE2 HIS A 118 -1.593 -10.064 -8.371 1.00 12.64 N ATOM 1081 H HIS A 118 -5.219 -11.703 -9.119 1.00 0.00 H ATOM 1082 N SER A 119 -6.539 -8.062 -9.345 1.00 12.83 N ATOM 1083 CA SER A 119 -6.589 -7.172 -10.510 1.00 13.93 C ATOM 1084 C SER A 119 -5.211 -6.580 -10.782 1.00 15.04 C ATOM 1085 O SER A 119 -4.368 -6.481 -9.880 1.00 15.17 O ATOM 1086 CB SER A 119 -7.550 -6.010 -10.232 1.00 13.84 C ATOM 1087 OG SER A 119 -7.071 -5.243 -9.128 1.00 13.17 O ATOM 1088 HG SER A 119 -6.174 -4.883 -9.342 1.00 0.00 H ATOM 1089 H SER A 119 -6.954 -7.732 -8.451 1.00 0.00 H ATOM 1090 N VAL A 120 -5.000 -6.219 -12.045 1.00 15.82 N ATOM 1091 CA VAL A 120 -3.753 -5.537 -12.383 1.00 16.31 C ATOM 1092 C VAL A 120 -3.809 -4.145 -11.748 1.00 15.29 C ATOM 1093 O VAL A 120 -2.802 -3.625 -11.258 1.00 14.84 O ATOM 1094 CB VAL A 120 -3.601 -5.459 -13.918 1.00 17.34 C ATOM 1095 CG1 VAL A 120 -2.377 -4.645 -14.369 1.00 19.09 C ATOM 1096 CG2 VAL A 120 -3.440 -6.842 -14.567 1.00 19.48 C ATOM 1097 H VAL A 120 -5.710 -6.419 -12.778 1.00 0.00 H ATOM 1098 N GLN A 121 -5.015 -3.579 -11.746 1.00 13.99 N ATOM 1099 CA GLN A 121 -5.235 -2.237 -11.185 1.00 13.72 C ATOM 1100 C GLN A 121 -4.960 -2.214 -9.666 1.00 13.25 C ATOM 1101 O GLN A 121 -5.277 -3.165 -8.932 1.00 11.48 O ATOM 1102 CB GLN A 121 -6.678 -1.784 -11.411 1.00 14.31 C ATOM 1103 CG GLN A 121 -6.853 -0.298 -11.116 1.00 15.54 C ATOM 1104 CD GLN A 121 -8.222 0.247 -11.486 1.00 18.22 C ATOM 1105 OE1 GLN A 121 -9.173 -0.518 -11.635 1.00 19.99 O ATOM 1106 NE2 GLN A 121 -8.376 1.549 -11.638 1.00 15.02 N ATOM 1107 HE22 GLN A 121 -7.565 2.187 -11.510 1.00 0.00 H ATOM 1108 HE21 GLN A 121 -9.309 1.937 -11.886 1.00 0.00 H ATOM 1109 H GLN A 121 -5.820 -4.098 -12.151 1.00 0.00 H ATOM 1110 N ASP A 122 -4.366 -1.118 -9.244 1.00 12.96 N ATOM 1111 CA ASP A 122 -4.039 -0.837 -7.836 1.00 13.28 C ATOM 1112 C ASP A 122 -5.052 0.194 -7.287 1.00 12.89 C ATOM 1113 O ASP A 122 -5.678 0.925 -8.027 1.00 13.32 O ATOM 1114 CB ASP A 122 -2.615 -0.266 -7.748 1.00 13.35 C ATOM 1115 CG ASP A 122 -1.509 -1.310 -7.961 1.00 16.88 C ATOM 1116 OD1 ASP A 122 -1.797 -2.565 -8.019 1.00 17.18 O ATOM 1117 OD2 ASP A 122 -0.287 -0.934 -8.083 1.00 20.85 O ATOM 1118 H ASP A 122 -4.110 -0.402 -9.953 1.00 0.00 H ATOM 1119 N ALA A 123 -5.205 0.236 -5.999 1.00 12.32 N ATOM 1120 CA ALA A 123 -6.109 1.151 -5.280 1.00 11.98 C ATOM 1121 C ALA A 123 -5.455 1.567 -3.980 1.00 12.15 C ATOM 1122 O ALA A 123 -4.519 0.930 -3.516 1.00 12.18 O ATOM 1123 CB ALA A 123 -7.431 0.439 -4.959 1.00 11.94 C ATOM 1124 H ALA A 123 -4.645 -0.429 -5.429 1.00 0.00 H ATOM 1125 N ALA A 124 -5.939 2.618 -3.414 1.00 11.55 N ATOM 1126 CA ALA A 124 -5.459 3.102 -2.115 1.00 12.33 C ATOM 1127 C ALA A 124 -6.510 4.000 -1.498 1.00 13.48 C ATOM 1128 O ALA A 124 -7.216 4.723 -2.209 1.00 14.44 O ATOM 1129 CB ALA A 124 -4.162 3.911 -2.293 1.00 11.68 C ATOM 1130 H ALA A 124 -6.697 3.142 -3.895 1.00 0.00 H ATOM 1131 N LEU A 125 -6.626 3.917 -0.166 1.00 13.82 N ATOM 1132 CA LEU A 125 -7.560 4.810 0.535 1.00 14.50 C ATOM 1133 C LEU A 125 -7.025 6.243 0.474 1.00 16.09 C ATOM 1134 O LEU A 125 -5.827 6.486 0.676 1.00 15.42 O ATOM 1135 CB LEU A 125 -7.698 4.427 2.026 1.00 13.84 C ATOM 1136 CG LEU A 125 -8.255 3.026 2.313 1.00 12.87 C ATOM 1137 CD1 LEU A 125 -8.621 2.851 3.796 1.00 10.31 C ATOM 1138 CD2 LEU A 125 -9.526 2.687 1.526 1.00 14.02 C ATOM 1139 H LEU A 125 -6.060 3.227 0.368 1.00 0.00 H ATOM 1140 N SER A 126 -7.910 7.160 0.209 1.00 17.35 N ATOM 1141 CA SER A 126 -7.556 8.579 0.104 1.00 19.05 C ATOM 1142 C SER A 126 -6.993 9.112 1.429 1.00 19.53 C ATOM 1143 O SER A 126 -6.106 9.972 1.452 1.00 20.18 O ATOM 1144 CB SER A 126 -8.796 9.409 -0.246 1.00 19.08 C ATOM 1145 OG SER A 126 -8.435 10.772 -0.419 1.00 23.06 O ATOM 1146 HG SER A 126 -8.038 11.116 0.420 1.00 0.00 H ATOM 1147 H SER A 126 -8.901 6.877 0.067 1.00 0.00 H ATOM 1148 N ASP A 127 -7.492 8.564 2.512 1.00 19.70 N ATOM 1149 CA ASP A 127 -7.137 9.036 3.855 1.00 20.80 C ATOM 1150 C ASP A 127 -5.933 8.281 4.440 1.00 19.89 C ATOM 1151 O ASP A 127 -5.538 8.512 5.584 1.00 20.41 O ATOM 1152 CB ASP A 127 -8.317 8.843 4.795 1.00 22.25 C ATOM 1153 CG ASP A 127 -9.437 9.821 4.495 1.00 27.67 C ATOM 1154 OD1 ASP A 127 -9.152 10.989 4.033 1.00 31.97 O ATOM 1155 OD2 ASP A 127 -10.659 9.480 4.702 1.00 32.84 O ATOM 1156 H ASP A 127 -8.159 7.772 2.415 1.00 0.00 H ATOM 1157 N GLY A 128 -5.340 7.390 3.651 1.00 18.58 N ATOM 1158 CA GLY A 128 -4.197 6.580 4.118 1.00 16.97 C ATOM 1159 C GLY A 128 -4.714 5.461 5.019 1.00 15.50 C ATOM 1160 O GLY A 128 -5.905 5.143 5.019 1.00 15.07 O ATOM 1161 H GLY A 128 -5.690 7.260 2.680 1.00 0.00 H ATOM 1162 N GLU A 129 -3.818 4.869 5.783 1.00 14.35 N ATOM 1163 CA GLU A 129 -4.192 3.783 6.703 1.00 14.39 C ATOM 1164 C GLU A 129 -3.542 4.004 8.062 1.00 15.56 C ATOM 1165 O GLU A 129 -2.516 4.669 8.177 1.00 17.01 O ATOM 1166 CB GLU A 129 -3.732 2.430 6.142 1.00 14.08 C ATOM 1167 CG GLU A 129 -4.528 2.009 4.906 1.00 11.66 C ATOM 1168 CD GLU A 129 -4.118 0.652 4.352 1.00 12.37 C ATOM 1169 OE1 GLU A 129 -4.591 0.256 3.233 1.00 10.96 O ATOM 1170 OE2 GLU A 129 -3.305 -0.089 5.004 1.00 10.64 O ATOM 1171 H GLU A 129 -2.825 5.176 5.735 1.00 0.00 H ATOM 1172 N GLY A 130 -4.160 3.446 9.072 1.00 16.17 N ATOM 1173 CA GLY A 130 -3.642 3.505 10.428 1.00 16.40 C ATOM 1174 C GLY A 130 -3.446 2.073 10.907 1.00 16.00 C ATOM 1175 O GLY A 130 -3.793 1.116 10.190 1.00 15.50 O ATOM 1176 H GLY A 130 -5.053 2.943 8.898 1.00 0.00 H TER 1177 GLY A 130 ATOM 1178 N LEU A 132 -3.292 -0.305 14.744 1.00 16.51 N ATOM 1179 CA LEU A 132 -3.352 -0.372 16.211 1.00 18.59 C ATOM 1180 C LEU A 132 -1.932 -0.495 16.833 1.00 18.64 C ATOM 1181 O LEU A 132 -1.680 -0.032 17.944 1.00 20.98 O ATOM 1182 CB LEU A 132 -4.176 -1.600 16.666 1.00 19.79 C ATOM 1183 CG LEU A 132 -5.701 -1.388 16.652 1.00 22.56 C ATOM 1184 CD1 LEU A 132 -6.472 -2.723 16.603 1.00 25.77 C ATOM 1185 CD2 LEU A 132 -6.211 -0.632 17.889 1.00 24.75 C ATOM 1186 HN3 LEU A 132 -2.844 -1.169 14.377 1.00 0.00 H ATOM 1187 HN2 LEU A 132 -2.733 0.525 14.459 1.00 0.00 H ATOM 1188 HN1 LEU A 132 -4.256 -0.223 14.362 1.00 0.00 H ATOM 1189 N SER A 133 -0.985 -1.088 16.108 1.00 17.43 N ATOM 1190 CA SER A 133 0.372 -1.325 16.645 1.00 17.43 C ATOM 1191 C SER A 133 1.338 -0.141 16.377 1.00 18.01 C ATOM 1192 O SER A 133 2.499 -0.150 16.811 1.00 18.09 O ATOM 1193 CB SER A 133 0.999 -2.565 15.991 1.00 17.05 C ATOM 1194 OG SER A 133 0.231 -3.719 16.295 1.00 16.79 O ATOM 1195 HG SER A 133 0.205 -3.847 17.276 1.00 0.00 H ATOM 1196 H SER A 133 -1.206 -1.392 15.138 1.00 0.00 H ATOM 1197 N VAL A 134 0.867 0.875 15.670 1.00 17.82 N ATOM 1198 CA VAL A 134 1.725 2.036 15.322 1.00 18.66 C ATOM 1199 C VAL A 134 1.162 3.339 15.897 1.00 20.26 C ATOM 1200 O VAL A 134 0.071 3.782 15.538 1.00 20.17 O ATOM 1201 CB VAL A 134 1.822 2.160 13.807 1.00 17.97 C ATOM 1202 CG1 VAL A 134 2.644 3.375 13.376 1.00 17.73 C ATOM 1203 CG2 VAL A 134 2.476 0.926 13.166 1.00 16.25 C ATOM 1204 H VAL A 134 -0.123 0.859 15.352 1.00 0.00 H ATOM 1205 N ASP A 135 1.944 3.930 16.784 1.00 22.79 N ATOM 1206 CA ASP A 135 1.565 5.169 17.468 1.00 25.50 C ATOM 1207 C ASP A 135 2.404 6.334 16.923 1.00 26.03 C ATOM 1208 O ASP A 135 3.079 7.045 17.670 1.00 28.10 O ATOM 1209 CB ASP A 135 1.786 4.974 18.982 1.00 27.21 C ATOM 1210 CG ASP A 135 1.052 3.729 19.520 1.00 31.50 C ATOM 1211 OD1 ASP A 135 1.715 2.703 19.930 1.00 34.37 O ATOM 1212 OD2 ASP A 135 -0.225 3.717 19.548 1.00 35.47 O ATOM 1213 H ASP A 135 2.864 3.499 17.005 1.00 0.00 H ATOM 1214 N ARG A 136 2.382 6.505 15.623 1.00 25.04 N ATOM 1215 CA ARG A 136 2.953 7.611 14.854 1.00 24.89 C ATOM 1216 C ARG A 136 1.965 7.999 13.760 1.00 24.32 C ATOM 1217 O ARG A 136 1.090 7.270 13.406 1.00 23.21 O ATOM 1218 CB ARG A 136 4.275 7.168 14.140 1.00 24.56 C ATOM 1219 CG ARG A 136 5.337 6.600 15.095 1.00 25.47 C ATOM 1220 CD ARG A 136 6.495 5.752 14.451 1.00 24.47 C ATOM 1221 NE ARG A 136 6.353 5.639 13.185 1.00 23.71 N ATOM 1222 CZ ARG A 136 6.242 5.151 12.041 1.00 20.74 C ATOM 1223 NH1 ARG A 136 6.222 3.926 11.515 1.00 17.45 N ATOM 1224 NH2 ARG A 136 6.347 6.162 11.204 1.00 20.18 N ATOM 1225 HE ARG A 136 6.279 6.647 12.939 1.00 0.00 H ATOM 1226 HH12 ARG A 136 6.113 3.803 10.488 1.00 0.00 H ATOM 1227 HH11 ARG A 136 6.316 3.094 12.132 1.00 0.00 H ATOM 1228 HH22 ARG A 136 6.285 5.997 10.179 1.00 0.00 H ATOM 1229 HH21 ARG A 136 6.492 7.125 11.568 1.00 0.00 H ATOM 1230 H ARG A 136 1.901 5.765 15.072 1.00 0.00 H ATOM 1231 N GLU A 137 2.108 9.102 13.258 1.00 24.40 N ATOM 1232 CA GLU A 137 1.391 9.638 12.121 1.00 23.99 C ATOM 1233 C GLU A 137 2.171 9.137 10.913 1.00 22.92 C ATOM 1234 O GLU A 137 3.401 9.288 10.824 1.00 23.47 O ATOM 1235 CB GLU A 137 1.429 11.170 12.208 1.00 25.01 C ATOM 1236 H GLU A 137 2.820 9.722 13.693 1.00 0.00 H ATOM 1237 N VAL A 138 1.488 8.545 10.029 1.00 20.76 N ATOM 1238 CA VAL A 138 2.121 8.015 8.829 1.00 20.09 C ATOM 1239 C VAL A 138 1.297 8.418 7.633 1.00 19.59 C ATOM 1240 O VAL A 138 0.270 7.793 7.333 1.00 19.32 O ATOM 1241 CB VAL A 138 2.223 6.510 8.904 1.00 19.23 C ATOM 1242 CG1 VAL A 138 3.013 5.945 7.727 1.00 18.51 C ATOM 1243 CG2 VAL A 138 2.921 6.021 10.184 1.00 17.56 C ATOM 1244 H VAL A 138 0.462 8.435 10.160 1.00 0.00 H ATOM 1245 N PRO A 139 1.707 9.477 6.947 1.00 19.44 N ATOM 1246 CA PRO A 139 0.986 9.996 5.806 1.00 18.99 C ATOM 1247 C PRO A 139 1.218 9.182 4.548 1.00 17.71 C ATOM 1248 O PRO A 139 2.303 8.541 4.409 1.00 18.04 O ATOM 1249 CB PRO A 139 1.672 11.276 5.458 1.00 20.04 C ATOM 1250 CG PRO A 139 2.900 11.385 6.335 1.00 21.47 C ATOM 1251 CD PRO A 139 2.947 10.208 7.256 1.00 20.98 C ATOM 1252 N GLY A 140 0.268 9.184 3.619 1.00 16.55 N ATOM 1253 CA GLY A 140 0.560 8.564 2.311 1.00 14.96 C ATOM 1254 C GLY A 140 -0.437 7.538 1.853 1.00 13.78 C ATOM 1255 O GLY A 140 -1.238 7.019 2.634 1.00 13.24 O ATOM 1256 H GLY A 140 -0.660 9.613 3.809 1.00 0.00 H ATOM 1257 N TYR A 141 -0.351 7.275 0.569 1.00 13.88 N ATOM 1258 CA TYR A 141 -1.195 6.283 -0.070 1.00 12.78 C ATOM 1259 C TYR A 141 -0.559 4.903 0.075 1.00 12.17 C ATOM 1260 O TYR A 141 0.573 4.673 -0.361 1.00 11.37 O ATOM 1261 CB TYR A 141 -1.345 6.565 -1.575 1.00 14.74 C ATOM 1262 CG TYR A 141 -2.101 7.853 -1.911 1.00 16.80 C ATOM 1263 CD1 TYR A 141 -3.309 8.156 -1.269 1.00 19.00 C ATOM 1264 CD2 TYR A 141 -1.580 8.729 -2.871 1.00 19.50 C ATOM 1265 CE1 TYR A 141 -3.993 9.338 -1.588 1.00 20.75 C ATOM 1266 CE2 TYR A 141 -2.263 9.907 -3.190 1.00 19.28 C ATOM 1267 CZ TYR A 141 -3.467 10.213 -2.549 1.00 20.88 C ATOM 1268 OH TYR A 141 -4.125 11.361 -2.864 1.00 21.84 O ATOM 1269 HH TYR A 141 -4.952 11.425 -2.324 1.00 0.00 H ATOM 1270 H TYR A 141 0.343 7.793 -0.007 1.00 0.00 H ATOM 1271 N VAL A 142 -1.292 4.015 0.700 1.00 11.05 N ATOM 1272 CA VAL A 142 -0.859 2.622 0.855 1.00 10.14 C ATOM 1273 C VAL A 142 -1.422 1.889 -0.354 1.00 10.26 C ATOM 1274 O VAL A 142 -2.614 1.570 -0.409 1.00 9.92 O ATOM 1275 CB VAL A 142 -1.391 2.059 2.160 1.00 9.33 C ATOM 1276 CG1 VAL A 142 -0.913 0.630 2.424 1.00 10.30 C ATOM 1277 CG2 VAL A 142 -0.958 2.891 3.371 1.00 7.81 C ATOM 1278 H VAL A 142 -2.208 4.306 1.098 1.00 0.00 H ATOM 1279 N VAL A 143 -0.541 1.649 -1.297 1.00 10.36 N ATOM 1280 CA VAL A 143 -0.902 1.032 -2.585 1.00 10.28 C ATOM 1281 C VAL A 143 -1.098 -0.476 -2.464 1.00 9.81 C ATOM 1282 O VAL A 143 -0.166 -1.228 -2.167 1.00 9.87 O ATOM 1283 CB VAL A 143 0.194 1.325 -3.594 1.00 11.39 C ATOM 1284 CG1 VAL A 143 -0.142 0.824 -4.998 1.00 10.08 C ATOM 1285 CG2 VAL A 143 0.476 2.828 -3.724 1.00 13.73 C ATOM 1286 H VAL A 143 0.453 1.905 -1.128 1.00 0.00 H ATOM 1287 N ARG A 144 -2.323 -0.882 -2.711 1.00 9.66 N ATOM 1288 CA ARG A 144 -2.734 -2.293 -2.641 1.00 9.69 C ATOM 1289 C ARG A 144 -3.401 -2.687 -3.973 1.00 8.90 C ATOM 1290 O ARG A 144 -3.509 -1.873 -4.896 1.00 8.86 O ATOM 1291 CB ARG A 144 -3.724 -2.440 -1.467 1.00 8.88 C ATOM 1292 CG ARG A 144 -3.167 -1.848 -0.158 1.00 10.66 C ATOM 1293 CD ARG A 144 -3.776 -2.467 1.088 1.00 10.76 C ATOM 1294 NE ARG A 144 -3.033 -2.163 2.309 1.00 16.41 N ATOM 1295 CZ ARG A 144 -2.259 -3.023 2.990 1.00 12.82 C ATOM 1296 NH1 ARG A 144 -2.062 -4.302 2.581 1.00 10.52 N ATOM 1297 NH2 ARG A 144 -1.648 -2.697 4.119 1.00 13.18 N ATOM 1298 HE ARG A 144 -3.111 -1.196 2.683 1.00 0.00 H ATOM 1299 HH12 ARG A 144 -1.455 -4.938 3.136 1.00 0.00 H ATOM 1300 HH11 ARG A 144 -2.518 -4.646 1.712 1.00 0.00 H ATOM 1301 HH22 ARG A 144 -1.058 -3.397 4.612 1.00 0.00 H ATOM 1302 HH21 ARG A 144 -1.758 -1.741 4.513 1.00 0.00 H ATOM 1303 H ARG A 144 -3.037 -0.171 -2.969 1.00 0.00 H ATOM 1304 N HIS A 145 -3.825 -3.950 -4.067 1.00 7.45 N ATOM 1305 CA HIS A 145 -4.557 -4.419 -5.257 1.00 8.03 C ATOM 1306 C HIS A 145 -5.953 -3.848 -5.162 1.00 8.13 C ATOM 1307 O HIS A 145 -6.519 -3.750 -4.068 1.00 8.62 O ATOM 1308 CB HIS A 145 -4.663 -5.947 -5.295 1.00 6.69 C ATOM 1309 CG HIS A 145 -3.328 -6.658 -5.183 1.00 8.50 C ATOM 1310 ND1 HIS A 145 -2.315 -6.467 -6.111 1.00 9.75 N ATOM 1311 CD2 HIS A 145 -2.857 -7.544 -4.270 1.00 7.58 C ATOM 1312 CE1 HIS A 145 -1.289 -7.215 -5.754 1.00 10.72 C ATOM 1313 NE2 HIS A 145 -1.595 -7.863 -4.657 1.00 9.70 N ATOM 1314 H HIS A 145 -3.636 -4.613 -3.288 1.00 0.00 H ATOM 1315 N ALA A 146 -6.514 -3.471 -6.277 1.00 8.74 N ATOM 1316 CA ALA A 146 -7.868 -2.910 -6.262 1.00 8.76 C ATOM 1317 C ALA A 146 -8.880 -4.002 -5.889 1.00 8.26 C ATOM 1318 O ALA A 146 -9.713 -3.828 -4.994 1.00 9.12 O ATOM 1319 CB ALA A 146 -8.234 -2.334 -7.629 1.00 8.57 C ATOM 1320 H ALA A 146 -6.001 -3.568 -7.176 1.00 0.00 H ATOM 1321 N ARG A 147 -8.786 -5.113 -6.585 1.00 8.38 N ATOM 1322 CA ARG A 147 -9.689 -6.255 -6.374 1.00 8.46 C ATOM 1323 C ARG A 147 -8.869 -7.515 -6.111 1.00 8.45 C ATOM 1324 O ARG A 147 -7.775 -7.692 -6.645 1.00 7.30 O ATOM 1325 CB ARG A 147 -10.559 -6.434 -7.639 1.00 9.27 C ATOM 1326 CG ARG A 147 -11.357 -5.159 -7.986 1.00 10.55 C ATOM 1327 CD ARG A 147 -12.147 -5.248 -9.303 1.00 12.11 C ATOM 1328 NE ARG A 147 -11.279 -5.265 -10.484 1.00 16.15 N ATOM 1329 CZ ARG A 147 -10.590 -4.211 -10.935 1.00 18.70 C ATOM 1330 NH1 ARG A 147 -10.661 -3.019 -10.317 1.00 17.79 N ATOM 1331 NH2 ARG A 147 -9.782 -4.262 -12.000 1.00 21.45 N ATOM 1332 HE ARG A 147 -11.193 -6.159 -11.008 1.00 0.00 H ATOM 1333 HH12 ARG A 147 -10.118 -2.211 -10.682 1.00 0.00 H ATOM 1334 HH11 ARG A 147 -11.259 -2.905 -9.474 1.00 0.00 H ATOM 1335 HH22 ARG A 147 -9.270 -3.410 -12.306 1.00 0.00 H ATOM 1336 HH21 ARG A 147 -9.665 -5.154 -12.522 1.00 0.00 H ATOM 1337 H ARG A 147 -8.046 -5.187 -7.312 1.00 0.00 H ATOM 1338 N VAL A 148 -9.395 -8.385 -5.277 1.00 8.25 N ATOM 1339 CA VAL A 148 -8.713 -9.647 -4.989 1.00 7.67 C ATOM 1340 C VAL A 148 -9.720 -10.779 -4.868 1.00 8.50 C ATOM 1341 O VAL A 148 -10.906 -10.555 -4.618 1.00 8.16 O ATOM 1342 CB VAL A 148 -7.919 -9.574 -3.637 1.00 7.19 C ATOM 1343 CG1 VAL A 148 -6.873 -8.458 -3.598 1.00 6.81 C ATOM 1344 CG2 VAL A 148 -8.803 -9.328 -2.398 1.00 8.21 C ATOM 1345 H VAL A 148 -10.304 -8.174 -4.818 1.00 0.00 H ATOM 1346 N THR A 149 -9.215 -11.958 -5.083 1.00 8.30 N ATOM 1347 CA THR A 149 -9.958 -13.185 -4.827 1.00 8.27 C ATOM 1348 C THR A 149 -9.180 -13.852 -3.717 1.00 8.76 C ATOM 1349 O THR A 149 -7.973 -14.072 -3.836 1.00 8.99 O ATOM 1350 CB THR A 149 -10.036 -14.140 -6.032 1.00 9.64 C ATOM 1351 OG1 THR A 149 -10.689 -13.524 -7.130 1.00 11.39 O ATOM 1352 CG2 THR A 149 -10.817 -15.427 -5.702 1.00 9.48 C ATOM 1353 HG1 THR A 149 -10.187 -12.714 -7.399 1.00 0.00 H ATOM 1354 H THR A 149 -8.245 -12.028 -5.451 1.00 0.00 H ATOM 1355 N ILE A 150 -9.829 -14.161 -2.642 1.00 7.94 N ATOM 1356 CA ILE A 150 -9.137 -14.815 -1.531 1.00 9.40 C ATOM 1357 C ILE A 150 -9.758 -16.162 -1.220 1.00 9.46 C ATOM 1358 O ILE A 150 -10.878 -16.461 -1.654 1.00 9.77 O ATOM 1359 CB ILE A 150 -9.236 -13.977 -0.232 1.00 9.99 C ATOM 1360 CG1 ILE A 150 -10.663 -13.965 0.351 1.00 10.48 C ATOM 1361 CG2 ILE A 150 -8.843 -12.505 -0.419 1.00 9.31 C ATOM 1362 CD1 ILE A 150 -10.744 -13.397 1.774 1.00 11.12 C ATOM 1363 H ILE A 150 -10.843 -13.945 -2.567 1.00 0.00 H ATOM 1364 N GLU A 151 -8.986 -16.909 -0.483 1.00 9.04 N ATOM 1365 CA GLU A 151 -9.381 -18.208 0.052 1.00 10.04 C ATOM 1366 C GLU A 151 -9.041 -18.215 1.527 1.00 9.06 C ATOM 1367 O GLU A 151 -8.006 -17.688 1.939 1.00 8.07 O ATOM 1368 CB GLU A 151 -8.642 -19.346 -0.611 1.00 11.48 C ATOM 1369 CG GLU A 151 -9.196 -19.673 -1.973 1.00 15.18 C ATOM 1370 CD GLU A 151 -8.472 -20.819 -2.631 1.00 18.06 C ATOM 1371 OE1 GLU A 151 -7.631 -21.518 -1.947 1.00 18.59 O ATOM 1372 OE2 GLU A 151 -8.704 -21.082 -3.864 1.00 17.24 O ATOM 1373 H GLU A 151 -8.032 -16.559 -0.263 1.00 0.00 H ATOM 1374 N TYR A 152 -9.913 -18.798 2.298 1.00 8.77 N ATOM 1375 CA TYR A 152 -9.715 -18.922 3.746 1.00 9.31 C ATOM 1376 C TYR A 152 -10.618 -20.027 4.269 1.00 9.38 C ATOM 1377 O TYR A 152 -11.473 -20.548 3.548 1.00 9.83 O ATOM 1378 CB TYR A 152 -10.038 -17.589 4.461 1.00 9.08 C ATOM 1379 CG TYR A 152 -11.526 -17.211 4.456 1.00 10.54 C ATOM 1380 CD1 TYR A 152 -12.371 -17.658 5.484 1.00 11.07 C ATOM 1381 CD2 TYR A 152 -12.041 -16.415 3.428 1.00 10.69 C ATOM 1382 CE1 TYR A 152 -13.729 -17.311 5.474 1.00 12.71 C ATOM 1383 CE2 TYR A 152 -13.399 -16.069 3.421 1.00 11.59 C ATOM 1384 CZ TYR A 152 -14.241 -16.517 4.440 1.00 12.16 C ATOM 1385 OH TYR A 152 -15.560 -16.184 4.425 1.00 14.92 O ATOM 1386 HH TYR A 152 -15.977 -16.531 3.597 1.00 0.00 H ATOM 1387 H TYR A 152 -10.778 -19.189 1.873 1.00 0.00 H ATOM 1388 N PHE A 153 -10.397 -20.363 5.505 1.00 9.06 N ATOM 1389 CA PHE A 153 -11.173 -21.392 6.197 1.00 9.76 C ATOM 1390 C PHE A 153 -11.815 -20.771 7.421 1.00 10.30 C ATOM 1391 O PHE A 153 -11.229 -19.898 8.071 1.00 9.91 O ATOM 1392 CB PHE A 153 -10.241 -22.533 6.640 1.00 10.32 C ATOM 1393 CG PHE A 153 -9.496 -23.169 5.473 1.00 12.15 C ATOM 1394 CD1 PHE A 153 -9.984 -24.340 4.894 1.00 12.93 C ATOM 1395 CD2 PHE A 153 -8.324 -22.577 4.984 1.00 15.16 C ATOM 1396 CE1 PHE A 153 -9.309 -24.920 3.816 1.00 13.95 C ATOM 1397 CE2 PHE A 153 -7.650 -23.158 3.904 1.00 16.59 C ATOM 1398 CZ PHE A 153 -8.142 -24.329 3.319 1.00 15.12 C ATOM 1399 H PHE A 153 -9.636 -19.880 6.024 1.00 0.00 H ATOM 1400 N ASP A 154 -13.036 -21.195 7.750 1.00 11.24 N ATOM 1401 CA ASP A 154 -13.652 -20.666 8.975 1.00 12.62 C ATOM 1402 C ASP A 154 -13.314 -21.645 10.114 1.00 14.06 C ATOM 1403 O ASP A 154 -12.661 -22.679 9.890 1.00 14.64 O ATOM 1404 CB ASP A 154 -15.168 -20.451 8.833 1.00 13.77 C ATOM 1405 CG ASP A 154 -15.987 -21.697 8.553 1.00 15.83 C ATOM 1406 OD1 ASP A 154 -15.673 -22.813 9.104 1.00 20.18 O ATOM 1407 OD2 ASP A 154 -17.002 -21.618 7.764 1.00 19.96 O ATOM 1408 H ASP A 154 -13.540 -21.883 7.154 1.00 0.00 H ATOM 1409 N LYS A 155 -13.770 -21.295 11.307 1.00 14.36 N ATOM 1410 CA LYS A 155 -13.461 -22.063 12.529 1.00 16.97 C ATOM 1411 C LYS A 155 -13.862 -23.558 12.402 1.00 17.52 C ATOM 1412 O LYS A 155 -13.345 -24.417 13.130 1.00 17.27 O ATOM 1413 CB LYS A 155 -14.161 -21.423 13.772 1.00 16.56 C ATOM 1414 CG LYS A 155 -15.678 -21.662 13.878 1.00 20.05 C ATOM 1415 CD LYS A 155 -16.260 -21.291 15.274 1.00 21.50 C ATOM 1416 CE LYS A 155 -16.489 -19.774 15.479 1.00 26.34 C ATOM 1417 NZ LYS A 155 -17.388 -19.462 16.615 1.00 26.72 N ATOM 1418 HZ1 LYS A 155 -18.317 -19.899 16.450 1.00 0.00 H ATOM 1419 HZ2 LYS A 155 -16.978 -19.838 17.494 1.00 0.00 H ATOM 1420 HZ3 LYS A 155 -17.498 -18.431 16.696 1.00 0.00 H ATOM 1421 H LYS A 155 -14.368 -20.448 11.386 1.00 0.00 H ATOM 1422 N THR A 156 -14.772 -23.885 11.473 1.00 17.59 N ATOM 1423 CA THR A 156 -15.210 -25.297 11.307 1.00 19.48 C ATOM 1424 C THR A 156 -14.288 -26.065 10.335 1.00 19.31 C ATOM 1425 O THR A 156 -14.321 -27.295 10.241 1.00 21.35 O ATOM 1426 CB THR A 156 -16.663 -25.385 10.774 1.00 20.37 C ATOM 1427 OG1 THR A 156 -16.680 -25.504 9.355 1.00 21.96 O ATOM 1428 CG2 THR A 156 -17.517 -24.166 11.126 1.00 19.52 C ATOM 1429 HG1 THR A 156 -17.617 -25.558 9.041 1.00 0.00 H ATOM 1430 H THR A 156 -15.175 -23.145 10.863 1.00 0.00 H ATOM 1431 N GLY A 157 -13.465 -25.350 9.609 1.00 17.65 N ATOM 1432 CA GLY A 157 -12.557 -25.996 8.656 1.00 17.17 C ATOM 1433 C GLY A 157 -13.128 -25.933 7.227 1.00 16.43 C ATOM 1434 O GLY A 157 -12.524 -26.427 6.269 1.00 17.80 O ATOM 1435 H GLY A 157 -13.455 -24.315 9.709 1.00 0.00 H ATOM 1436 N GLU A 158 -14.302 -25.329 7.085 1.00 16.02 N ATOM 1437 CA GLU A 158 -14.920 -25.173 5.754 1.00 15.64 C ATOM 1438 C GLU A 158 -14.138 -24.114 4.961 1.00 13.87 C ATOM 1439 O GLU A 158 -13.842 -23.030 5.467 1.00 11.77 O ATOM 1440 CB GLU A 158 -16.377 -24.711 5.866 1.00 16.27 C ATOM 1441 CG GLU A 158 -17.014 -24.465 4.493 1.00 17.09 C ATOM 1442 CD GLU A 158 -18.531 -24.281 4.545 1.00 16.77 C ATOM 1443 OE1 GLU A 158 -19.142 -24.273 5.678 1.00 19.11 O ATOM 1444 OE2 GLU A 158 -19.197 -24.132 3.451 1.00 19.11 O ATOM 1445 H GLU A 158 -14.793 -24.960 7.924 1.00 0.00 H ATOM 1446 N LYS A 159 -13.821 -24.451 3.734 1.00 13.72 N ATOM 1447 CA LYS A 159 -13.074 -23.559 2.831 1.00 13.83 C ATOM 1448 C LYS A 159 -14.038 -22.621 2.099 1.00 13.99 C ATOM 1449 O LYS A 159 -15.119 -23.030 1.664 1.00 14.34 O ATOM 1450 CB LYS A 159 -12.329 -24.400 1.797 1.00 15.40 C ATOM 1451 CG LYS A 159 -11.493 -23.584 0.815 1.00 15.32 C ATOM 1452 CD LYS A 159 -10.739 -24.479 -0.159 1.00 18.84 C ATOM 1453 CE LYS A 159 -9.503 -23.826 -0.757 1.00 18.26 C ATOM 1454 NZ LYS A 159 -9.107 -24.438 -2.032 1.00 22.38 N ATOM 1455 HZ1 LYS A 159 -8.897 -25.445 -1.881 1.00 0.00 H ATOM 1456 HZ2 LYS A 159 -9.884 -24.343 -2.717 1.00 0.00 H ATOM 1457 HZ3 LYS A 159 -8.260 -23.957 -2.398 1.00 0.00 H ATOM 1458 H LYS A 159 -14.109 -25.387 3.384 1.00 0.00 H ATOM 1459 N HIS A 160 -13.626 -21.378 1.983 1.00 11.81 N ATOM 1460 CA HIS A 160 -14.407 -20.353 1.274 1.00 11.89 C ATOM 1461 C HIS A 160 -13.517 -19.673 0.223 1.00 11.68 C ATOM 1462 O HIS A 160 -12.312 -19.537 0.407 1.00 11.08 O ATOM 1463 CB HIS A 160 -14.913 -19.280 2.252 1.00 11.47 C ATOM 1464 CG HIS A 160 -15.765 -19.843 3.387 1.00 13.96 C ATOM 1465 ND1 HIS A 160 -17.150 -19.929 3.296 1.00 19.39 N ATOM 1466 CD2 HIS A 160 -15.430 -20.333 4.607 1.00 15.72 C ATOM 1467 CE1 HIS A 160 -17.603 -20.451 4.421 1.00 18.53 C ATOM 1468 NE2 HIS A 160 -16.590 -20.697 5.214 1.00 16.93 N ATOM 1469 H HIS A 160 -12.715 -21.110 2.408 1.00 0.00 H ATOM 1470 N ARG A 161 -14.142 -19.281 -0.861 1.00 11.36 N ATOM 1471 CA ARG A 161 -13.494 -18.548 -1.983 1.00 11.42 C ATOM 1472 C ARG A 161 -14.355 -17.313 -2.178 1.00 11.08 C ATOM 1473 O ARG A 161 -15.574 -17.410 -2.334 1.00 11.17 O ATOM 1474 CB ARG A 161 -13.434 -19.431 -3.210 1.00 12.09 C ATOM 1475 CG ARG A 161 -12.847 -20.812 -2.903 1.00 16.25 C ATOM 1476 CD ARG A 161 -12.496 -21.596 -4.157 1.00 20.30 C ATOM 1477 NE ARG A 161 -11.416 -20.975 -4.922 1.00 19.22 N ATOM 1478 CZ ARG A 161 -11.456 -20.777 -6.238 1.00 24.06 C ATOM 1479 NH1 ARG A 161 -12.526 -21.152 -6.955 1.00 22.51 N ATOM 1480 NH2 ARG A 161 -10.463 -20.205 -6.931 1.00 25.26 N ATOM 1481 HE ARG A 161 -10.565 -20.670 -4.407 1.00 0.00 H ATOM 1482 HH12 ARG A 161 -12.546 -20.992 -7.982 1.00 0.00 H ATOM 1483 HH11 ARG A 161 -13.336 -21.603 -6.483 1.00 0.00 H ATOM 1484 HH22 ARG A 161 -10.553 -20.077 -7.959 1.00 0.00 H ATOM 1485 HH21 ARG A 161 -9.602 -19.888 -6.441 1.00 0.00 H ATOM 1486 H ARG A 161 -15.156 -19.496 -0.942 1.00 0.00 H ATOM 1487 N LEU A 162 -13.708 -16.183 -2.181 1.00 10.44 N ATOM 1488 CA LEU A 162 -14.413 -14.899 -2.165 1.00 11.12 C ATOM 1489 C LEU A 162 -13.685 -13.798 -2.937 1.00 10.13 C ATOM 1490 O LEU A 162 -12.475 -13.619 -2.785 1.00 9.19 O ATOM 1491 CB LEU A 162 -14.428 -14.508 -0.675 1.00 10.76 C ATOM 1492 CG LEU A 162 -15.581 -13.649 -0.172 1.00 14.53 C ATOM 1493 CD1 LEU A 162 -15.074 -12.534 0.746 1.00 12.81 C ATOM 1494 CD2 LEU A 162 -16.391 -12.960 -1.269 1.00 15.66 C ATOM 1495 H LEU A 162 -12.668 -16.192 -2.195 1.00 0.00 H ATOM 1496 N LYS A 163 -14.453 -13.074 -3.752 1.00 10.11 N ATOM 1497 CA LYS A 163 -13.932 -11.911 -4.512 1.00 10.76 C ATOM 1498 C LYS A 163 -14.314 -10.652 -3.723 1.00 10.38 C ATOM 1499 O LYS A 163 -15.435 -10.531 -3.217 1.00 9.11 O ATOM 1500 CB LYS A 163 -14.541 -11.838 -5.915 1.00 11.43 C ATOM 1501 CG LYS A 163 -13.776 -12.675 -6.927 1.00 13.13 C ATOM 1502 CD LYS A 163 -14.368 -12.628 -8.328 1.00 13.21 C ATOM 1503 CE LYS A 163 -13.463 -13.300 -9.354 1.00 15.37 C ATOM 1504 NZ LYS A 163 -13.812 -12.963 -10.737 1.00 18.99 N ATOM 1505 HZ1 LYS A 163 -14.788 -13.266 -10.931 1.00 0.00 H ATOM 1506 HZ2 LYS A 163 -13.734 -11.935 -10.872 1.00 0.00 H ATOM 1507 HZ3 LYS A 163 -13.161 -13.450 -11.386 1.00 0.00 H ATOM 1508 H LYS A 163 -15.454 -13.334 -3.859 1.00 0.00 H ATOM 1509 N LEU A 164 -13.387 -9.736 -3.619 1.00 10.00 N ATOM 1510 CA LEU A 164 -13.614 -8.484 -2.884 1.00 9.65 C ATOM 1511 C LEU A 164 -13.071 -7.289 -3.658 1.00 9.76 C ATOM 1512 O LEU A 164 -12.090 -7.402 -4.399 1.00 7.94 O ATOM 1513 CB LEU A 164 -12.871 -8.484 -1.531 1.00 9.50 C ATOM 1514 CG LEU A 164 -13.328 -9.536 -0.517 1.00 12.58 C ATOM 1515 CD1 LEU A 164 -12.420 -9.557 0.721 1.00 14.86 C ATOM 1516 CD2 LEU A 164 -14.753 -9.303 0.001 1.00 12.80 C ATOM 1517 H LEU A 164 -12.463 -9.898 -4.069 1.00 0.00 H ATOM 1518 N LYS A 165 -13.725 -6.171 -3.463 1.00 10.18 N ATOM 1519 CA LYS A 165 -13.315 -4.900 -4.072 1.00 11.15 C ATOM 1520 C LYS A 165 -13.574 -3.778 -3.058 1.00 11.11 C ATOM 1521 O LYS A 165 -14.041 -4.024 -1.942 1.00 10.10 O ATOM 1522 CB LYS A 165 -14.104 -4.642 -5.363 1.00 12.93 C ATOM 1523 CG LYS A 165 -15.612 -4.534 -5.150 1.00 16.99 C ATOM 1524 CD LYS A 165 -16.393 -4.522 -6.465 1.00 23.67 C ATOM 1525 CE LYS A 165 -17.881 -4.230 -6.272 1.00 29.75 C ATOM 1526 NZ LYS A 165 -18.593 -5.307 -5.563 1.00 33.51 N ATOM 1527 HZ1 LYS A 165 -18.512 -6.190 -6.106 1.00 0.00 H ATOM 1528 HZ2 LYS A 165 -18.172 -5.438 -4.621 1.00 0.00 H ATOM 1529 HZ3 LYS A 165 -19.596 -5.051 -5.463 1.00 0.00 H ATOM 1530 H LYS A 165 -14.567 -6.184 -2.853 1.00 0.00 H ATOM 1531 N GLY A 166 -13.253 -2.571 -3.460 1.00 10.93 N ATOM 1532 CA GLY A 166 -13.468 -1.373 -2.627 1.00 11.44 C ATOM 1533 C GLY A 166 -12.725 -1.465 -1.279 1.00 11.11 C ATOM 1534 O GLY A 166 -11.614 -1.996 -1.190 1.00 9.54 O ATOM 1535 H GLY A 166 -12.830 -2.454 -4.403 1.00 0.00 H ATOM 1536 N TYR A 167 -13.381 -0.939 -0.266 1.00 11.27 N ATOM 1537 CA TYR A 167 -12.843 -0.865 1.105 1.00 11.89 C ATOM 1538 C TYR A 167 -12.607 -2.278 1.707 1.00 10.99 C ATOM 1539 O TYR A 167 -11.614 -2.516 2.401 1.00 10.42 O ATOM 1540 CB TYR A 167 -13.831 -0.075 1.980 1.00 13.26 C ATOM 1541 CG TYR A 167 -13.324 0.239 3.401 1.00 16.71 C ATOM 1542 CD1 TYR A 167 -14.039 -0.225 4.505 1.00 18.20 C ATOM 1543 CD2 TYR A 167 -12.156 0.996 3.607 1.00 19.67 C ATOM 1544 CE1 TYR A 167 -13.602 0.056 5.802 1.00 18.98 C ATOM 1545 CE2 TYR A 167 -11.720 1.281 4.908 1.00 20.23 C ATOM 1546 CZ TYR A 167 -12.446 0.810 6.006 1.00 17.39 C ATOM 1547 OH TYR A 167 -12.031 1.087 7.274 1.00 18.07 O ATOM 1548 HH TYR A 167 -12.658 0.679 7.922 1.00 0.00 H ATOM 1549 H TYR A 167 -14.331 -0.554 -0.442 1.00 0.00 H ATOM 1550 N ASN A 168 -13.512 -3.214 1.435 1.00 9.66 N ATOM 1551 CA ASN A 168 -13.390 -4.598 1.965 1.00 8.77 C ATOM 1552 C ASN A 168 -12.090 -5.263 1.478 1.00 7.27 C ATOM 1553 O ASN A 168 -11.423 -5.994 2.220 1.00 5.51 O ATOM 1554 CB ASN A 168 -14.560 -5.460 1.508 1.00 10.04 C ATOM 1555 CG ASN A 168 -15.848 -5.176 2.276 1.00 14.18 C ATOM 1556 OD1 ASN A 168 -15.855 -4.328 3.168 1.00 17.58 O ATOM 1557 ND2 ASN A 168 -16.947 -5.840 1.976 1.00 16.79 N ATOM 1558 HD22 ASN A 168 -16.933 -6.555 1.221 1.00 0.00 H ATOM 1559 HD21 ASN A 168 -17.828 -5.649 2.494 1.00 0.00 H ATOM 1560 H ASN A 168 -14.327 -2.971 0.836 1.00 0.00 H ATOM 1561 N SER A 169 -11.751 -4.995 0.236 1.00 6.47 N ATOM 1562 CA SER A 169 -10.538 -5.552 -0.379 1.00 6.49 C ATOM 1563 C SER A 169 -9.288 -4.992 0.333 1.00 6.79 C ATOM 1564 O SER A 169 -8.329 -5.722 0.620 1.00 6.17 O ATOM 1565 CB SER A 169 -10.510 -5.184 -1.871 1.00 6.80 C ATOM 1566 OG SER A 169 -9.190 -5.294 -2.385 1.00 7.90 O ATOM 1567 HG SER A 169 -9.190 -5.054 -3.345 1.00 0.00 H ATOM 1568 H SER A 169 -12.360 -4.369 -0.329 1.00 0.00 H ATOM 1569 N ILE A 170 -9.329 -3.700 0.611 1.00 6.30 N ATOM 1570 CA ILE A 170 -8.220 -3.007 1.281 1.00 7.50 C ATOM 1571 C ILE A 170 -8.005 -3.553 2.701 1.00 8.01 C ATOM 1572 O ILE A 170 -6.876 -3.832 3.118 1.00 7.89 O ATOM 1573 CB ILE A 170 -8.508 -1.501 1.394 1.00 7.88 C ATOM 1574 CG1 ILE A 170 -8.593 -0.796 0.029 1.00 8.08 C ATOM 1575 CG2 ILE A 170 -7.433 -0.742 2.193 1.00 8.86 C ATOM 1576 CD1 ILE A 170 -7.335 -0.972 -0.827 1.00 8.52 C ATOM 1577 H ILE A 170 -10.175 -3.156 0.346 1.00 0.00 H ATOM 1578 N VAL A 171 -9.095 -3.709 3.426 1.00 7.78 N ATOM 1579 CA VAL A 171 -9.034 -4.160 4.826 1.00 7.03 C ATOM 1580 C VAL A 171 -8.446 -5.579 4.959 1.00 6.17 C ATOM 1581 O VAL A 171 -7.554 -5.833 5.768 1.00 5.70 O ATOM 1582 CB VAL A 171 -10.420 -4.144 5.455 1.00 7.32 C ATOM 1583 CG1 VAL A 171 -10.440 -4.788 6.849 1.00 9.65 C ATOM 1584 CG2 VAL A 171 -10.965 -2.719 5.630 1.00 6.85 C ATOM 1585 H VAL A 171 -10.021 -3.508 2.998 1.00 0.00 H ATOM 1586 N VAL A 172 -8.934 -6.512 4.171 1.00 4.90 N ATOM 1587 CA VAL A 172 -8.442 -7.901 4.252 1.00 5.54 C ATOM 1588 C VAL A 172 -6.969 -7.972 3.815 1.00 4.81 C ATOM 1589 O VAL A 172 -6.152 -8.694 4.399 1.00 4.56 O ATOM 1590 CB VAL A 172 -9.293 -8.809 3.382 1.00 6.38 C ATOM 1591 CG1 VAL A 172 -8.715 -10.220 3.252 1.00 8.61 C ATOM 1592 CG2 VAL A 172 -10.710 -8.977 3.941 1.00 6.26 C ATOM 1593 H VAL A 172 -9.675 -6.268 3.483 1.00 0.00 H ATOM 1594 N GLN A 173 -6.620 -7.224 2.792 1.00 4.65 N ATOM 1595 CA GLN A 173 -5.230 -7.209 2.325 1.00 4.85 C ATOM 1596 C GLN A 173 -4.313 -6.717 3.456 1.00 5.38 C ATOM 1597 O GLN A 173 -3.217 -7.244 3.670 1.00 4.76 O ATOM 1598 CB GLN A 173 -5.074 -6.285 1.133 1.00 4.76 C ATOM 1599 CG GLN A 173 -5.429 -6.955 -0.180 1.00 2.50 C ATOM 1600 CD GLN A 173 -5.309 -6.006 -1.351 1.00 4.93 C ATOM 1601 OE1 GLN A 173 -4.250 -5.941 -1.975 1.00 4.52 O ATOM 1602 NE2 GLN A 173 -6.336 -5.256 -1.689 1.00 4.95 N ATOM 1603 HE22 GLN A 173 -7.225 -5.320 -1.154 1.00 0.00 H ATOM 1604 HE21 GLN A 173 -6.258 -4.599 -2.491 1.00 0.00 H ATOM 1605 H GLN A 173 -7.333 -6.640 2.311 1.00 0.00 H ATOM 1606 N HIS A 174 -4.785 -5.710 4.164 1.00 4.73 N ATOM 1607 CA HIS A 174 -4.039 -5.118 5.282 1.00 4.44 C ATOM 1608 C HIS A 174 -3.786 -6.190 6.375 1.00 4.81 C ATOM 1609 O HIS A 174 -2.667 -6.342 6.881 1.00 3.99 O ATOM 1610 CB HIS A 174 -4.835 -3.937 5.869 1.00 5.46 C ATOM 1611 CG HIS A 174 -4.199 -3.299 7.116 1.00 5.85 C ATOM 1612 ND1 HIS A 174 -3.624 -2.026 7.086 1.00 5.75 N ATOM 1613 CD2 HIS A 174 -4.058 -3.744 8.390 1.00 7.23 C ATOM 1614 CE1 HIS A 174 -3.171 -1.751 8.298 1.00 9.23 C ATOM 1615 NE2 HIS A 174 -3.421 -2.766 9.086 1.00 7.67 N ATOM 1616 H HIS A 174 -5.719 -5.321 3.922 1.00 0.00 H ATOM 1617 N GLU A 175 -4.829 -6.947 6.735 1.00 3.53 N ATOM 1618 CA GLU A 175 -4.705 -7.980 7.796 1.00 4.23 C ATOM 1619 C GLU A 175 -3.851 -9.175 7.328 1.00 4.02 C ATOM 1620 O GLU A 175 -3.056 -9.739 8.083 1.00 4.06 O ATOM 1621 CB GLU A 175 -6.077 -8.512 8.217 1.00 3.48 C ATOM 1622 CG GLU A 175 -6.973 -7.446 8.862 1.00 6.81 C ATOM 1623 CD GLU A 175 -6.255 -6.585 9.907 1.00 12.71 C ATOM 1624 OE1 GLU A 175 -5.348 -7.103 10.661 1.00 16.78 O ATOM 1625 OE2 GLU A 175 -6.560 -5.337 10.034 1.00 15.78 O ATOM 1626 H GLU A 175 -5.745 -6.810 6.263 1.00 0.00 H ATOM 1627 N ILE A 176 -4.002 -9.571 6.085 1.00 3.49 N ATOM 1628 CA ILE A 176 -3.223 -10.706 5.563 1.00 4.80 C ATOM 1629 C ILE A 176 -1.733 -10.317 5.545 1.00 6.09 C ATOM 1630 O ILE A 176 -0.838 -11.149 5.742 1.00 7.26 O ATOM 1631 CB ILE A 176 -3.720 -11.090 4.172 1.00 4.42 C ATOM 1632 CG1 ILE A 176 -5.090 -11.791 4.241 1.00 4.55 C ATOM 1633 CG2 ILE A 176 -2.773 -12.053 3.447 1.00 6.38 C ATOM 1634 CD1 ILE A 176 -5.763 -11.965 2.878 1.00 5.22 C ATOM 1635 H ILE A 176 -4.677 -9.079 5.465 1.00 0.00 H ATOM 1636 N ASP A 177 -1.467 -9.053 5.315 1.00 5.94 N ATOM 1637 CA ASP A 177 -0.089 -8.569 5.328 1.00 7.41 C ATOM 1638 C ASP A 177 0.524 -8.840 6.718 1.00 7.28 C ATOM 1639 O ASP A 177 1.682 -9.243 6.848 1.00 8.44 O ATOM 1640 CB ASP A 177 -0.041 -7.070 5.053 1.00 6.27 C ATOM 1641 CG ASP A 177 0.199 -6.731 3.585 1.00 10.06 C ATOM 1642 OD1 ASP A 177 0.405 -7.677 2.727 1.00 9.19 O ATOM 1643 OD2 ASP A 177 0.194 -5.502 3.207 1.00 9.25 O ATOM 1644 H ASP A 177 -2.244 -8.390 5.122 1.00 0.00 H ATOM 1645 N HIS A 178 -0.268 -8.619 7.756 1.00 7.44 N ATOM 1646 CA HIS A 178 0.199 -8.817 9.140 1.00 6.57 C ATOM 1647 C HIS A 178 0.656 -10.255 9.392 1.00 7.06 C ATOM 1648 O HIS A 178 1.623 -10.500 10.126 1.00 6.92 O ATOM 1649 CB HIS A 178 -0.898 -8.526 10.159 1.00 6.46 C ATOM 1650 CG HIS A 178 -1.004 -7.051 10.524 1.00 5.70 C ATOM 1651 ND1 HIS A 178 0.092 -6.313 10.963 1.00 5.70 N ATOM 1652 CD2 HIS A 178 -2.059 -6.202 10.515 1.00 6.33 C ATOM 1653 CE1 HIS A 178 -0.314 -5.078 11.196 1.00 9.69 C ATOM 1654 NE2 HIS A 178 -1.595 -4.997 10.934 1.00 6.71 N ATOM 1655 H HIS A 178 -1.243 -8.298 7.591 1.00 0.00 H ATOM 1656 N ILE A 179 -0.028 -11.236 8.788 1.00 6.80 N ATOM 1657 CA ILE A 179 0.358 -12.633 9.045 1.00 7.12 C ATOM 1658 C ILE A 179 1.518 -13.052 8.126 1.00 7.63 C ATOM 1659 O ILE A 179 2.006 -14.187 8.199 1.00 7.82 O ATOM 1660 CB ILE A 179 -0.824 -13.597 8.883 1.00 7.56 C ATOM 1661 CG1 ILE A 179 -1.516 -13.534 7.521 1.00 5.94 C ATOM 1662 CG2 ILE A 179 -1.927 -13.336 9.923 1.00 7.39 C ATOM 1663 CD1 ILE A 179 -2.579 -14.630 7.343 1.00 6.39 C ATOM 1664 H ILE A 179 -0.818 -11.014 8.149 1.00 0.00 H ATOM 1665 N ASP A 180 1.950 -12.119 7.274 1.00 7.88 N ATOM 1666 CA ASP A 180 3.105 -12.361 6.387 1.00 8.00 C ATOM 1667 C ASP A 180 4.304 -11.491 6.844 1.00 7.28 C ATOM 1668 O ASP A 180 5.381 -11.527 6.252 1.00 7.08 O ATOM 1669 CB ASP A 180 2.788 -12.029 4.934 1.00 8.72 C ATOM 1670 CG ASP A 180 1.881 -13.064 4.276 1.00 11.54 C ATOM 1671 OD1 ASP A 180 1.648 -14.187 4.868 1.00 12.46 O ATOM 1672 OD2 ASP A 180 1.350 -12.812 3.131 1.00 14.81 O ATOM 1673 H ASP A 180 1.462 -11.201 7.234 1.00 0.00 H ATOM 1674 N GLY A 181 4.081 -10.710 7.901 1.00 7.04 N ATOM 1675 CA GLY A 181 5.129 -9.845 8.512 1.00 8.43 C ATOM 1676 C GLY A 181 5.362 -8.541 7.723 1.00 9.06 C ATOM 1677 O GLY A 181 6.480 -8.000 7.699 1.00 9.61 O ATOM 1678 H GLY A 181 3.129 -10.704 8.320 1.00 0.00 H ATOM 1679 N ILE A 182 4.302 -8.060 7.096 1.00 8.02 N ATOM 1680 CA ILE A 182 4.342 -6.817 6.302 1.00 8.82 C ATOM 1681 C ILE A 182 3.437 -5.763 6.986 1.00 8.86 C ATOM 1682 O ILE A 182 2.352 -6.064 7.474 1.00 7.65 O ATOM 1683 CB ILE A 182 3.882 -7.124 4.875 1.00 8.66 C ATOM 1684 CG1 ILE A 182 4.923 -7.966 4.111 1.00 10.56 C ATOM 1685 CG2 ILE A 182 3.644 -5.861 4.044 1.00 9.04 C ATOM 1686 CD1 ILE A 182 4.327 -8.805 2.977 1.00 14.41 C ATOM 1687 H ILE A 182 3.403 -8.579 7.165 1.00 0.00 H ATOM 1688 N MET A 183 3.936 -4.551 6.997 1.00 9.54 N ATOM 1689 CA MET A 183 3.275 -3.394 7.625 1.00 9.66 C ATOM 1690 C MET A 183 2.823 -2.448 6.532 1.00 8.94 C ATOM 1691 O MET A 183 3.434 -2.352 5.466 1.00 9.76 O ATOM 1692 CB MET A 183 4.264 -2.749 8.569 1.00 10.21 C ATOM 1693 CG MET A 183 4.778 -3.744 9.618 1.00 12.49 C ATOM 1694 SD MET A 183 3.854 -3.674 11.125 1.00 18.67 S ATOM 1695 CE MET A 183 3.555 -1.975 11.538 1.00 13.97 C ATOM 1696 H MET A 183 4.854 -4.397 6.534 1.00 0.00 H ATOM 1697 N PHE A 184 1.771 -1.748 6.802 1.00 8.95 N ATOM 1698 CA PHE A 184 1.177 -0.907 5.780 1.00 8.85 C ATOM 1699 C PHE A 184 2.167 0.109 5.179 1.00 9.55 C ATOM 1700 O PHE A 184 2.184 0.331 3.964 1.00 9.86 O ATOM 1701 CB PHE A 184 -0.065 -0.163 6.322 1.00 8.21 C ATOM 1702 CG PHE A 184 0.201 0.967 7.313 1.00 10.29 C ATOM 1703 CD1 PHE A 184 0.216 2.290 6.868 1.00 9.90 C ATOM 1704 CD2 PHE A 184 0.419 0.683 8.666 1.00 11.85 C ATOM 1705 CE1 PHE A 184 0.451 3.332 7.771 1.00 12.68 C ATOM 1706 CE2 PHE A 184 0.653 1.723 9.571 1.00 11.24 C ATOM 1707 CZ PHE A 184 0.670 3.048 9.123 1.00 11.25 C ATOM 1708 H PHE A 184 1.350 -1.787 7.752 1.00 0.00 H ATOM 1709 N TYR A 185 3.013 0.734 5.988 1.00 10.53 N ATOM 1710 CA TYR A 185 3.921 1.771 5.429 1.00 11.22 C ATOM 1711 C TYR A 185 4.989 1.162 4.466 1.00 11.33 C ATOM 1712 O TYR A 185 5.695 1.891 3.750 1.00 11.82 O ATOM 1713 CB TYR A 185 4.603 2.602 6.535 1.00 11.01 C ATOM 1714 CG TYR A 185 5.298 1.825 7.636 1.00 10.80 C ATOM 1715 CD1 TYR A 185 4.683 1.672 8.885 1.00 9.45 C ATOM 1716 CD2 TYR A 185 6.554 1.279 7.400 1.00 9.95 C ATOM 1717 CE1 TYR A 185 5.335 0.970 9.899 1.00 10.68 C ATOM 1718 CE2 TYR A 185 7.210 0.578 8.414 1.00 11.65 C ATOM 1719 CZ TYR A 185 6.600 0.425 9.666 1.00 11.42 C ATOM 1720 OH TYR A 185 7.242 -0.250 10.652 1.00 12.68 O ATOM 1721 HH TYR A 185 7.418 -1.178 10.355 1.00 0.00 H ATOM 1722 H TYR A 185 3.041 0.501 7.001 1.00 0.00 H ATOM 1723 N ASP A 186 5.098 -0.160 4.440 1.00 11.92 N ATOM 1724 CA ASP A 186 6.013 -0.841 3.496 1.00 12.45 C ATOM 1725 C ASP A 186 5.500 -0.643 2.055 1.00 12.91 C ATOM 1726 O ASP A 186 6.236 -0.828 1.080 1.00 13.71 O ATOM 1727 CB ASP A 186 6.057 -2.362 3.723 1.00 12.53 C ATOM 1728 CG ASP A 186 6.684 -2.792 5.034 1.00 12.86 C ATOM 1729 OD1 ASP A 186 7.275 -1.934 5.776 1.00 10.87 O ATOM 1730 OD2 ASP A 186 6.616 -4.024 5.392 1.00 11.80 O ATOM 1731 H ASP A 186 4.528 -0.730 5.097 1.00 0.00 H ATOM 1732 N ARG A 187 4.211 -0.272 1.945 1.00 11.84 N ATOM 1733 CA ARG A 187 3.552 -0.108 0.628 1.00 12.24 C ATOM 1734 C ARG A 187 3.325 1.370 0.257 1.00 12.93 C ATOM 1735 O ARG A 187 2.612 1.662 -0.705 1.00 13.41 O ATOM 1736 CB ARG A 187 2.188 -0.847 0.612 1.00 11.08 C ATOM 1737 CG ARG A 187 2.341 -2.348 0.861 1.00 10.71 C ATOM 1738 CD ARG A 187 1.128 -3.178 0.469 1.00 10.83 C ATOM 1739 NE ARG A 187 1.310 -4.570 0.867 1.00 9.36 N ATOM 1740 CZ ARG A 187 1.973 -5.478 0.157 1.00 12.97 C ATOM 1741 NH1 ARG A 187 2.509 -5.158 -1.034 1.00 9.82 N ATOM 1742 NH2 ARG A 187 2.147 -6.729 0.587 1.00 10.50 N ATOM 1743 HE ARG A 187 0.892 -4.873 1.770 1.00 0.00 H ATOM 1744 HH12 ARG A 187 3.026 -5.876 -1.581 1.00 0.00 H ATOM 1745 HH11 ARG A 187 2.407 -4.193 -1.408 1.00 0.00 H ATOM 1746 HH22 ARG A 187 2.672 -7.411 0.003 1.00 0.00 H ATOM 1747 HH21 ARG A 187 1.758 -7.022 1.506 1.00 0.00 H ATOM 1748 H ARG A 187 3.661 -0.095 2.810 1.00 0.00 H ATOM 1749 N ILE A 188 3.944 2.272 1.041 1.00 13.56 N ATOM 1750 CA ILE A 188 3.881 3.737 0.786 1.00 13.75 C ATOM 1751 C ILE A 188 5.186 4.150 0.057 1.00 16.34 C ATOM 1752 O ILE A 188 6.296 3.790 0.476 1.00 15.46 O ATOM 1753 CB ILE A 188 3.734 4.527 2.115 1.00 13.45 C ATOM 1754 CG1 ILE A 188 2.390 4.231 2.834 1.00 12.71 C ATOM 1755 CG2 ILE A 188 3.792 6.051 1.896 1.00 13.53 C ATOM 1756 CD1 ILE A 188 2.253 4.868 4.236 1.00 10.85 C ATOM 1757 H ILE A 188 4.489 1.931 1.859 1.00 0.00 H ATOM 1758 N ASN A 189 5.026 4.895 -1.052 1.00 17.79 N ATOM 1759 CA ASN A 189 6.173 5.372 -1.863 1.00 20.84 C ATOM 1760 C ASN A 189 7.206 5.993 -0.907 1.00 22.24 C ATOM 1761 O ASN A 189 6.875 6.800 -0.035 1.00 22.28 O ATOM 1762 CB ASN A 189 5.676 6.390 -2.888 1.00 21.55 C ATOM 1763 CG ASN A 189 6.697 6.685 -3.983 1.00 24.18 C ATOM 1764 OD1 ASN A 189 7.743 7.268 -3.701 1.00 26.18 O ATOM 1765 ND2 ASN A 189 6.454 6.316 -5.230 1.00 25.83 N ATOM 1766 HD22 ASN A 189 5.568 5.823 -5.463 1.00 0.00 H ATOM 1767 HD21 ASN A 189 7.149 6.519 -5.977 1.00 0.00 H ATOM 1768 H ASN A 189 4.062 5.146 -1.352 1.00 0.00 H ATOM 1769 N GLU A 190 8.461 5.643 -1.088 1.00 24.65 N ATOM 1770 CA GLU A 190 9.522 6.048 -0.144 1.00 26.90 C ATOM 1771 C GLU A 190 9.920 7.552 -0.287 1.00 29.10 C ATOM 1772 O GLU A 190 10.355 8.194 0.651 1.00 31.23 O ATOM 1773 CB GLU A 190 10.805 5.214 -0.391 1.00 27.65 C ATOM 1774 CG GLU A 190 10.656 3.717 -0.039 1.00 27.86 C ATOM 1775 CD GLU A 190 10.098 3.469 1.368 1.00 27.45 C ATOM 1776 OE1 GLU A 190 10.147 4.397 2.256 1.00 28.03 O ATOM 1777 OE2 GLU A 190 9.581 2.326 1.666 1.00 25.95 O ATOM 1778 H GLU A 190 8.712 5.067 -1.916 1.00 0.00 H ATOM 1779 N LYS A 191 9.723 8.100 -1.450 1.00 29.64 N ATOM 1780 CA LYS A 191 10.189 9.454 -1.820 1.00 31.02 C ATOM 1781 C LYS A 191 9.029 10.486 -1.837 1.00 30.65 C ATOM 1782 O LYS A 191 9.192 11.657 -1.498 1.00 31.66 O ATOM 1783 CB LYS A 191 10.824 9.406 -3.188 1.00 32.17 C ATOM 1784 H LYS A 191 9.205 7.551 -2.165 1.00 0.00 H ATOM 1785 N ASN A 192 7.886 10.118 -2.276 1.00 29.38 N ATOM 1786 CA ASN A 192 6.697 10.982 -2.177 1.00 28.45 C ATOM 1787 C ASN A 192 5.526 10.135 -1.743 1.00 26.23 C ATOM 1788 O ASN A 192 4.928 9.414 -2.559 1.00 26.27 O ATOM 1789 CB ASN A 192 6.394 11.633 -3.536 1.00 30.02 C ATOM 1790 CG ASN A 192 5.119 12.503 -3.536 1.00 32.51 C ATOM 1791 OD1 ASN A 192 4.500 12.706 -2.486 1.00 32.93 O ATOM 1792 ND2 ASN A 192 4.684 13.036 -4.664 1.00 36.83 N ATOM 1793 HD22 ASN A 192 5.200 12.869 -5.551 1.00 0.00 H ATOM 1794 HD21 ASN A 192 3.825 13.623 -4.665 1.00 0.00 H ATOM 1795 H ASN A 192 7.793 9.180 -2.716 1.00 0.00 H ATOM 1796 N PRO A 193 5.146 10.187 -0.462 1.00 24.81 N ATOM 1797 CA PRO A 193 4.064 9.376 0.027 1.00 23.04 C ATOM 1798 C PRO A 193 2.782 9.552 -0.751 1.00 22.99 C ATOM 1799 O PRO A 193 1.939 8.602 -0.765 1.00 21.58 O ATOM 1800 CB PRO A 193 3.930 9.782 1.488 1.00 22.18 C ATOM 1801 CG PRO A 193 5.015 10.809 1.786 1.00 24.58 C ATOM 1802 CD PRO A 193 5.801 11.048 0.536 1.00 25.39 C ATOM 1803 N PHE A 194 2.615 10.689 -1.440 1.00 23.22 N ATOM 1804 CA PHE A 194 1.330 10.887 -2.127 1.00 23.68 C ATOM 1805 C PHE A 194 1.463 10.786 -3.657 1.00 24.10 C ATOM 1806 O PHE A 194 0.648 11.321 -4.409 1.00 24.85 O ATOM 1807 CB PHE A 194 0.755 12.244 -1.758 1.00 24.17 C ATOM 1808 CG PHE A 194 0.307 12.237 -0.308 1.00 24.95 C ATOM 1809 CD1 PHE A 194 0.870 13.128 0.602 1.00 24.19 C ATOM 1810 CD2 PHE A 194 -0.666 11.324 0.103 1.00 23.69 C ATOM 1811 CE1 PHE A 194 0.463 13.104 1.940 1.00 23.00 C ATOM 1812 CE2 PHE A 194 -1.072 11.296 1.439 1.00 24.47 C ATOM 1813 CZ PHE A 194 -0.505 12.187 2.358 1.00 23.43 C ATOM 1814 H PHE A 194 3.367 11.406 -1.487 1.00 0.00 H ATOM 1815 N ALA A 195 2.484 10.102 -4.116 1.00 24.55 N ATOM 1816 CA ALA A 195 2.651 9.890 -5.560 1.00 25.97 C ATOM 1817 C ALA A 195 1.488 9.038 -6.092 1.00 26.76 C ATOM 1818 O ALA A 195 0.982 8.135 -5.418 1.00 25.69 O ATOM 1819 CB ALA A 195 3.971 9.152 -5.824 1.00 25.91 C ATOM 1820 H ALA A 195 3.181 9.707 -3.452 1.00 0.00 H ATOM 1821 N VAL A 196 1.062 9.340 -7.291 1.00 28.10 N ATOM 1822 CA VAL A 196 -0.004 8.567 -7.921 1.00 28.75 C ATOM 1823 C VAL A 196 0.428 8.079 -9.291 1.00 30.08 C ATOM 1824 O VAL A 196 0.547 8.862 -10.237 1.00 32.17 O ATOM 1825 CB VAL A 196 -1.268 9.435 -8.114 1.00 28.88 C ATOM 1826 CG1 VAL A 196 -2.345 8.741 -8.968 1.00 29.36 C ATOM 1827 CG2 VAL A 196 -1.952 9.805 -6.795 1.00 28.67 C ATOM 1828 H VAL A 196 1.488 10.140 -7.801 1.00 0.00 H ATOM 1829 N LYS A 197 0.720 6.781 -9.378 1.00 29.61 N ATOM 1830 CA LYS A 197 0.998 6.205 -10.699 1.00 29.86 C ATOM 1831 C LYS A 197 -0.333 6.164 -11.427 1.00 29.53 C ATOM 1832 O LYS A 197 -1.353 5.794 -10.850 1.00 29.41 O ATOM 1833 CB LYS A 197 1.606 4.806 -10.536 1.00 29.85 C ATOM 1834 H LYS A 197 0.750 6.187 -8.525 1.00 0.00 H ATOM 1835 N GLU A 198 -0.321 6.539 -12.657 1.00 29.82 N ATOM 1836 CA GLU A 198 -1.523 6.644 -13.503 1.00 29.14 C ATOM 1837 C GLU A 198 -2.342 5.336 -13.470 1.00 26.90 C ATOM 1838 O GLU A 198 -1.820 4.236 -13.684 1.00 26.96 O ATOM 1839 CB GLU A 198 -1.093 6.922 -14.930 1.00 30.84 C ATOM 1840 CG GLU A 198 -2.247 7.139 -15.887 1.00 32.33 C ATOM 1841 CD GLU A 198 -1.756 7.381 -17.299 1.00 35.45 C ATOM 1842 OE1 GLU A 198 -1.031 6.489 -17.885 1.00 34.14 O ATOM 1843 OE2 GLU A 198 -2.059 8.472 -17.902 1.00 37.66 O ATOM 1844 H GLU A 198 0.596 6.784 -13.082 1.00 0.00 H ATOM 1845 N GLY A 199 -3.625 5.488 -13.182 1.00 25.89 N ATOM 1846 CA GLY A 199 -4.532 4.336 -13.159 1.00 24.38 C ATOM 1847 C GLY A 199 -4.846 3.898 -11.717 1.00 22.51 C ATOM 1848 O GLY A 199 -5.728 3.065 -11.479 1.00 21.84 O ATOM 1849 H GLY A 199 -3.994 6.437 -12.969 1.00 0.00 H ATOM 1850 N LEU A 200 -4.109 4.453 -10.755 1.00 21.90 N ATOM 1851 CA LEU A 200 -4.363 4.131 -9.340 1.00 20.64 C ATOM 1852 C LEU A 200 -5.776 4.570 -8.961 1.00 21.01 C ATOM 1853 O LEU A 200 -6.156 5.730 -9.145 1.00 20.92 O ATOM 1854 CB LEU A 200 -3.361 4.868 -8.432 1.00 19.85 C ATOM 1855 CG LEU A 200 -3.700 4.743 -6.940 1.00 19.08 C ATOM 1856 CD1 LEU A 200 -3.247 3.407 -6.339 1.00 14.89 C ATOM 1857 CD2 LEU A 200 -3.045 5.839 -6.085 1.00 19.79 C ATOM 1858 H LEU A 200 -3.349 5.118 -11.005 1.00 0.00 H ATOM 1859 N LEU A 201 -6.537 3.637 -8.449 1.00 20.56 N ATOM 1860 CA LEU A 201 -7.908 3.904 -7.992 1.00 21.00 C ATOM 1861 C LEU A 201 -7.853 4.460 -6.563 1.00 21.32 C ATOM 1862 O LEU A 201 -7.522 3.753 -5.607 1.00 21.11 O ATOM 1863 CB LEU A 201 -8.708 2.589 -8.017 1.00 19.63 C ATOM 1864 CG LEU A 201 -10.206 2.775 -7.782 1.00 21.23 C ATOM 1865 CD1 LEU A 201 -10.899 3.513 -8.932 1.00 21.82 C ATOM 1866 CD2 LEU A 201 -10.944 1.437 -7.618 1.00 21.13 C ATOM 1867 H LEU A 201 -6.158 2.672 -8.362 1.00 0.00 H ATOM 1868 N ILE A 202 -8.159 5.749 -6.402 1.00 22.51 N ATOM 1869 CA ILE A 202 -8.140 6.350 -5.054 1.00 24.02 C ATOM 1870 C ILE A 202 -9.560 6.277 -4.484 1.00 25.42 C ATOM 1871 O ILE A 202 -10.506 6.861 -5.025 1.00 26.02 O ATOM 1872 CB ILE A 202 -7.631 7.791 -5.149 1.00 24.48 C ATOM 1873 CG1 ILE A 202 -6.178 7.830 -5.684 1.00 24.20 C ATOM 1874 CG2 ILE A 202 -7.643 8.498 -3.786 1.00 25.08 C ATOM 1875 CD1 ILE A 202 -5.535 9.218 -5.671 1.00 26.45 C ATOM 1876 H ILE A 202 -8.411 6.330 -7.227 1.00 0.00 H ATOM 1877 N LEU A 203 -9.666 5.546 -3.388 1.00 26.24 N ATOM 1878 CA LEU A 203 -10.960 5.295 -2.726 1.00 27.59 C ATOM 1879 C LEU A 203 -11.284 6.343 -1.649 1.00 29.38 C ATOM 1880 O LEU A 203 -10.473 6.637 -0.765 1.00 29.41 O ATOM 1881 CB LEU A 203 -10.934 3.911 -2.046 1.00 26.18 C ATOM 1882 CG LEU A 203 -10.746 2.739 -3.017 1.00 26.30 C ATOM 1883 CD1 LEU A 203 -10.866 1.379 -2.316 1.00 24.01 C ATOM 1884 CD2 LEU A 203 -11.777 2.733 -4.144 1.00 27.00 C ATOM 1885 H LEU A 203 -8.805 5.132 -2.977 1.00 0.00 H ATOM 1886 N GLU A 204 -12.493 6.896 -1.733 1.00 32.13 N ATOM 1887 CA GLU A 204 -12.956 7.907 -0.759 1.00 34.89 C ATOM 1888 C GLU A 204 -13.508 7.230 0.497 1.00 35.23 C ATOM 1889 O GLU A 204 -13.829 6.032 0.490 1.00 36.25 O ATOM 1890 CB GLU A 204 -14.050 8.784 -1.366 1.00 36.20 C ATOM 1891 CG GLU A 204 -13.496 9.869 -2.289 1.00 40.86 C ATOM 1892 CD GLU A 204 -12.199 10.484 -1.777 1.00 45.70 C ATOM 1893 OE1 GLU A 204 -11.416 11.067 -2.599 1.00 47.72 O ATOM 1894 OE2 GLU A 204 -11.913 10.411 -0.536 1.00 48.14 O ATOM 1895 OXT GLU A 204 -13.585 7.961 1.520 1.00 94.19 O ATOM 1896 H GLU A 204 -13.128 6.609 -2.505 1.00 0.00 H TER 1897 GLU A 204 HETATM 1898 ZN ZN A 1 -2.891 -3.418 11.059 1.00 15.49 ZN HETATM 1899 ZN ZN A 2 -19.400 -7.224 24.604 1.00 23.32 ZN HETATM 1900 ZN ZN A 3 0.157 -11.274 -8.309 1.00 24.25 ZN HETATM 1901 ZN ZN A 4 9.336 3.862 3.778 1.00 16.96 ZN HETATM 1902 ZN ZN A 5 -0.360 -9.109 -3.619 1.00 16.14 ZN HETATM 1903 ZN ZN A 6 -5.867 -7.841 28.291 1.00 44.67 ZN HETATM 1904 ZN ZN A 7 -16.861 -21.197 20.319 1.00 49.03 ZN HETATM 1905 ZN ZN A 8 -7.639 -22.454 -4.835 1.00 29.62 ZN HETATM 1906 O HOH 9 4.600 -24.940 9.526 1.00 12.37 O HETATM 1907 O HOH 10 -14.723 -25.975 20.138 1.00 29.27 O HETATM 1908 O HOH 11 5.906 -25.304 11.130 1.00 26.07 O HETATM 1909 O HOH 12 -25.973 -9.868 2.039 1.00 28.06 O HETATM 1910 O HOH 13 0.068 -3.746 5.070 1.00 14.10 O HETATM 1911 O HOH 14 -2.029 2.398 19.284 1.00 38.56 O HETATM 1912 O HOH 15 -4.048 -26.315 7.618 1.00 30.20 O HETATM 1913 O HOH 16 -12.241 10.925 3.821 1.00 43.27 O HETATM 1914 O HOH 17 -19.830 -11.380 17.246 1.00 31.82 O HETATM 1915 O HOH 18 6.619 -11.809 22.415 1.00 26.75 O HETATM 1916 O HOH 19 -18.843 -23.104 7.912 1.00 16.54 O HETATM 1917 O HOH 20 -2.552 -4.789 -8.369 1.00 15.51 O HETATM 1918 O HOH 21 -5.102 -26.455 15.390 1.00 33.91 O HETATM 1919 O HOH 22 -6.032 -3.891 30.431 1.00 23.31 O HETATM 1920 O HOH 23 -2.845 -24.989 14.715 1.00 30.68 O HETATM 1921 O HOH 24 3.785 -13.369 13.552 1.00 10.58 O HETATM 1922 O HOH 25 -10.625 -28.052 6.480 1.00 31.86 O HETATM 1923 O HOH 26 8.538 -2.190 11.574 1.00 25.23 O HETATM 1924 O HOH 27 -10.713 2.072 30.500 1.00 30.92 O HETATM 1925 O HOH 28 -18.697 -26.548 8.222 1.00 34.31 O HETATM 1926 O HOH 29 7.347 4.610 2.644 1.00 13.38 O HETATM 1927 O HOH 30 -1.468 -27.124 15.157 1.00 43.53 O HETATM 1928 O HOH 31 -1.149 -10.024 23.679 1.00 21.69 O HETATM 1929 O HOH 32 -0.739 13.418 -4.885 1.00 33.01 O HETATM 1930 O HOH 33 -1.786 -4.935 -0.623 1.00 12.38 O HETATM 1931 O HOH 34 -10.765 12.201 2.414 1.00 41.87 O HETATM 1932 O HOH 35 -20.041 -2.753 15.088 1.00 24.50 O HETATM 1933 O HOH 36 -6.344 -21.743 0.300 1.00 31.35 O HETATM 1934 O HOH 37 -16.920 -15.803 2.240 1.00 33.29 O HETATM 1935 O HOH 38 3.135 -12.579 11.121 1.00 10.95 O HETATM 1936 O HOH 39 -3.687 -24.118 20.312 1.00 35.51 O HETATM 1937 O HOH 40 -23.711 -1.419 11.126 1.00 37.30 O HETATM 1938 O HOH 41 -20.291 -2.740 17.663 1.00 24.73 O HETATM 1939 O HOH 42 -14.901 -12.875 25.833 1.00 31.27 O HETATM 1940 O HOH 43 -17.588 -23.949 1.389 1.00 21.93 O HETATM 1941 O HOH 44 8.081 2.519 4.638 1.00 10.54 O HETATM 1942 O HOH 45 -19.041 -16.156 8.670 1.00 37.25 O HETATM 1943 O HOH 46 8.972 0.039 5.372 1.00 15.04 O HETATM 1944 O HOH 47 2.368 6.006 -1.769 1.00 12.00 O HETATM 1945 O HOH 48 -2.703 -18.561 4.764 1.00 19.93 O HETATM 1946 O HOH 49 -7.018 -19.502 29.499 1.00 37.45 O HETATM 1947 O HOH 50 -13.125 -18.552 16.143 1.00 17.66 O HETATM 1948 O HOH 51 -30.999 6.721 13.677 1.00 33.48 O HETATM 1949 O HOH 52 2.124 -2.486 -2.628 1.00 34.68 O HETATM 1950 O HOH 53 4.793 3.407 16.906 1.00 19.15 O HETATM 1951 O HOH 54 -17.694 -16.409 -3.601 1.00 10.92 O HETATM 1952 O HOH 55 -17.940 -10.314 -2.332 1.00 31.73 O HETATM 1953 O HOH 56 -1.327 6.356 9.869 1.00 30.64 O HETATM 1954 O HOH 57 2.486 -7.914 11.371 1.00 26.60 O HETATM 1955 O HOH 58 -16.884 -13.451 19.160 1.00 29.38 O HETATM 1956 O HOH 59 -11.715 9.468 -4.723 1.00 35.39 O HETATM 1957 O HOH 60 1.769 -2.161 -6.889 1.00 39.68 O HETATM 1958 O HOH 61 -8.310 -6.693 29.475 1.00 37.59 O HETATM 1959 O HOH 62 -3.878 -21.951 -3.717 1.00 38.84 O HETATM 1960 O HOH 63 -3.479 0.894 -10.784 1.00 20.89 O HETATM 1961 O HOH 64 2.016 5.872 -4.408 1.00 22.34 O HETATM 1962 O HOH 65 -0.441 -14.684 2.408 1.00 16.18 O HETATM 1963 O HOH 66 -1.080 -21.447 5.164 1.00 35.72 O HETATM 1964 O HOH 67 -28.985 7.728 14.027 1.00 28.85 O HETATM 1965 O HOH 68 -22.613 -10.225 8.892 1.00 30.76 O HETATM 1966 O HOH 69 -34.409 7.230 2.815 1.00 16.66 O HETATM 1967 O HOH 70 -20.809 -6.120 -4.239 1.00 20.00 O HETATM 1968 O HOH 71 -28.530 8.619 2.628 1.00 38.11 O HETATM 1969 O HOH 72 -4.823 2.032 1.088 1.00 9.62 O HETATM 1970 O HOH 73 0.741 -10.369 2.118 1.00 16.52 O HETATM 1971 O HOH 74 -16.378 -16.375 10.253 1.00 41.04 O HETATM 1972 O HOH 75 -8.152 5.038 6.548 1.00 35.96 O HETATM 1973 O HOH 76 -4.732 7.861 -12.437 1.00 20.00 O HETATM 1974 O HOH 77 -27.379 9.670 9.237 1.00 37.13 O HETATM 1975 O HOH 78 -0.564 5.822 11.793 1.00 32.59 O HETATM 1976 O HOH 79 -4.012 4.633 1.531 1.00 13.16 O HETATM 1977 O HOH 80 -19.348 -2.348 33.454 1.00 21.47 O HETATM 1978 O HOH 81 8.473 -5.155 14.522 1.00 26.31 O HETATM 1979 O HOH 82 -9.918 -19.102 -9.380 1.00 33.98 O HETATM 1980 O HOH 83 -12.277 -26.937 13.423 1.00 19.77 O HETATM 1981 O HOH 84 5.925 -17.799 13.241 1.00 22.89 O HETATM 1982 O HOH 85 -1.743 4.091 13.315 1.00 18.42 O HETATM 1983 O HOH 86 -0.229 -5.105 7.717 1.00 13.39 O HETATM 1984 O HOH 87 -29.267 6.353 15.071 1.00 24.75 O HETATM 1985 O HOH 88 -0.054 -2.588 8.944 1.00 14.13 O HETATM 1986 O HOH 89 2.767 -19.895 6.954 1.00 16.69 O HETATM 1987 O HOH 90 -7.208 -0.709 26.313 1.00 19.78 O HETATM 1988 O HOH 91 -12.286 -9.597 23.319 1.00 14.03 O HETATM 1989 O HOH 92 -1.925 -13.734 0.358 1.00 11.96 O HETATM 1990 O HOH 93 -2.551 -18.189 -6.414 1.00 33.08 O HETATM 1991 O HOH 94 -14.571 -18.486 11.569 1.00 15.75 O HETATM 1992 O HOH 95 -12.777 -6.701 23.860 1.00 13.02 O HETATM 1993 O HOH 96 -17.986 -18.076 1.353 1.00 36.99 O HETATM 1994 O HOH 97 -10.303 -1.401 -3.690 1.00 30.10 O HETATM 1995 O HOH 98 -5.190 -21.170 2.571 1.00 21.45 O HETATM 1996 O HOH 99 -1.133 6.203 5.467 1.00 17.33 O HETATM 1997 O HOH 100 -22.833 -1.126 24.791 1.00 40.59 O HETATM 1998 O HOH 101 -27.823 2.736 4.419 1.00 28.86 O HETATM 1999 O HOH 102 8.206 -10.916 20.808 1.00 31.56 O HETATM 2000 O HOH 103 1.419 -3.559 24.528 1.00 33.01 O HETATM 2001 O HOH 104 -16.540 -20.558 22.568 1.00 32.95 O HETATM 2002 O HOH 105 -5.980 -8.284 30.853 1.00 43.52 O HETATM 2003 O HOH 106 -25.202 8.170 4.583 1.00 31.42 O HETATM 2004 O HOH 107 -12.045 -1.330 -5.723 1.00 21.07 O HETATM 2005 O HOH 108 10.509 -3.596 10.942 1.00 36.38 O HETATM 2006 O HOH 109 5.888 -9.583 23.322 1.00 33.24 O HETATM 2007 O HOH 110 2.190 7.548 -13.649 1.00 40.31 O HETATM 2008 O HOH 111 -34.508 9.175 12.215 1.00 30.08 O HETATM 2009 O HOH 112 2.515 14.763 -5.489 1.00 38.29 O HETATM 2010 O HOH 113 -15.925 0.326 -0.810 1.00 21.21 O HETATM 2011 O HOH 114 11.178 -10.819 13.394 1.00 23.25 O HETATM 2012 O HOH 115 -11.364 -19.533 31.506 1.00 26.59 O HETATM 2013 O HOH 116 -2.256 10.208 4.636 1.00 20.02 O HETATM 2014 O HOH 117 -9.350 -1.743 29.267 1.00 30.08 O HETATM 2015 O HOH 118 -36.163 7.703 4.999 1.00 24.36 O HETATM 2016 O HOH 119 -0.685 -11.428 0.153 1.00 27.03 O HETATM 2017 O HOH 120 2.918 -20.229 16.075 1.00 25.99 O HETATM 2018 O HOH 121 -10.468 -7.802 -11.744 1.00 36.34 O HETATM 2019 O HOH 122 -13.460 4.363 30.824 1.00 13.12 O HETATM 2020 O HOH 123 -28.715 -2.848 10.489 1.00 29.30 O HETATM 2021 O HOH 124 -10.630 -8.274 30.868 1.00 24.94 O HETATM 2022 O HOH 125 9.116 -16.062 10.223 1.00 17.99 O HETATM 2023 O HOH 126 -15.557 -16.844 23.396 1.00 30.98 O HETATM 2024 O HOH 127 -16.215 -6.307 -1.876 1.00 12.68 O HETATM 2025 O HOH 128 -17.030 -19.889 -1.036 1.00 20.83 O HETATM 2026 O HOH 129 -9.593 -11.045 -8.331 1.00 21.89 O HETATM 2027 O HOH 130 -6.211 -24.985 6.162 1.00 31.12 O HETATM 2028 O HOH 131 -0.405 -22.459 14.331 1.00 32.57 O HETATM 2029 O HOH 132 -3.332 -10.184 -12.371 1.00 33.75 O HETATM 2030 O HOH 133 -16.159 -2.763 0.164 1.00 23.56 O HETATM 2031 O HOH 134 -19.955 -14.397 9.838 1.00 41.36 O HETATM 2032 O HOH 135 -11.100 -25.585 -3.920 1.00 37.34 O HETATM 2033 O HOH 136 1.682 -25.197 11.034 1.00 32.84 O HETATM 2034 O HOH 137 -7.079 -7.229 -13.928 1.00 16.84 O HETATM 2035 O HOH 138 3.045 -17.471 18.854 1.00 30.82 O HETATM 2036 O HOH 139 -6.021 2.507 26.179 1.00 37.77 O HETATM 2037 O HOH 140 0.486 4.722 -7.221 1.00 30.00 O HETATM 2038 O HOH 141 2.838 -15.880 22.547 1.00 40.89 O HETATM 2039 O HOH 142 -16.437 -25.801 18.596 1.00 38.43 O HETATM 2040 O HOH 143 -17.243 -13.810 -4.577 1.00 11.58 O HETATM 2041 O HOH 144 -7.534 -26.599 -0.652 1.00 34.20 O HETATM 2042 O HOH 145 -5.965 -13.189 31.613 1.00 31.89 O HETATM 2043 O HOH 146 -1.223 10.550 -12.015 1.00 39.26 O HETATM 2044 O HOH 147 7.617 -5.817 3.170 1.00 26.98 O HETATM 2045 O HOH 148 -12.758 -2.088 -8.340 1.00 22.40 O HETATM 2046 O HOH 149 -9.222 7.250 -8.824 1.00 35.27 O HETATM 2047 O HOH 150 11.664 -11.218 10.434 1.00 34.20 O HETATM 2048 O HOH 151 4.304 1.840 -3.236 1.00 39.51 O HETATM 2049 O HOH 152 -10.262 7.297 2.270 1.00 33.88 O HETATM 2050 O HOH 153 -2.900 8.661 7.124 1.00 33.95 O HETATM 2051 O HOH 154 -23.794 4.894 10.583 1.00 36.46 O HETATM 2052 O HOH 155 -0.486 -15.479 -2.005 1.00 39.31 O HETATM 2053 O HOH 156 -12.357 -16.562 33.547 1.00 34.78 O HETATM 2054 O HOH 157 -5.375 -29.017 8.439 1.00 25.16 O HETATM 2055 O HOH 158 3.016 -22.409 8.118 1.00 19.56 O HETATM 2056 O HOH 159 5.348 -4.885 22.156 1.00 26.19 O HETATM 2057 O HOH 160 1.065 -18.009 23.100 1.00 33.88 O HETATM 2058 O HOH 161 3.861 4.723 -5.781 1.00 33.57 O HETATM 2059 O HOH 162 0.048 2.128 -8.407 1.00 29.84 O HETATM 2060 O HOH 163 -15.751 -10.467 30.350 1.00 34.54 O HETATM 2061 O HOH 164 0.279 5.721 -20.598 1.00 21.33 O HETATM 2062 O HOH 165 6.416 -2.773 -1.342 1.00 34.95 O HETATM 2063 O HOH 166 7.846 1.310 -0.709 1.00 32.84 O HETATM 2064 O HOH 167 -28.586 -0.175 3.213 1.00 28.54 O HETATM 2065 O HOH 168 -0.632 -11.104 -4.157 1.00 13.94 O HETATM 2066 O HOH 169 -3.493 -12.571 -10.149 1.00 24.96 O HETATM 2067 O HOH 170 -18.607 -20.023 21.062 1.00 36.62 O HETATM 2068 O HOH 171 4.752 10.812 13.286 1.00 20.00 O HETATM 2069 O HOH 172 -19.457 -11.378 5.681 1.00 30.38 O HETATM 2070 O HOH 173 -19.884 -19.933 1.718 1.00 37.00 O HETATM 2071 O HOH 174 -15.767 -16.933 15.635 1.00 29.75 O HETATM 2072 O HOH 175 -3.062 -11.291 28.361 1.00 20.00 O HETATM 2073 O HOH 176 0.485 -11.159 -10.508 1.00 28.63 O HETATM 2074 O HOH 177 -6.837 -25.871 23.243 1.00 39.17 O HETATM 2075 O HOH 178 -24.672 -8.081 8.335 1.00 19.90 O HETATM 2076 O HOH 179 -9.998 -23.830 -5.347 1.00 41.71 O HETATM 2077 O HOH 180 -18.935 -20.611 10.130 1.00 35.27 O HETATM 2078 O HOH 181 -1.030 9.213 -20.897 1.00 21.36 O HETATM 2079 O HOH 182 -23.563 -5.171 2.263 1.00 27.51 O HETATM 2080 O HOH 183 -30.224 2.714 5.006 1.00 23.23 O HETATM 2081 O HOH 184 -27.129 1.930 12.362 1.00 42.54 O HETATM 2082 O HOH 185 -3.773 -8.394 29.926 1.00 36.48 O HETATM 2083 O HOH 186 -21.162 2.961 10.491 1.00 45.25 O HETATM 2084 O HOH 187 9.149 3.763 -3.687 1.00 26.51 O HETATM 2085 O HOH 188 -13.076 5.836 -6.800 1.00 20.00 O HETATM 2086 O HOH 189 6.518 -13.946 21.400 1.00 45.95 O HETATM 2087 O HOH 190 -0.261 -12.276 -6.302 1.00 27.52 O HETATM 2088 O HOH 191 8.090 -2.236 21.035 1.00 39.78 O HETATM 2089 O HOH 192 -3.604 -28.056 16.652 1.00 40.89 O HETATM 2090 O HOH 193 -21.170 1.230 3.305 1.00 38.12 O HETATM 2091 O HOH 194 -13.578 -18.712 27.187 1.00 36.77 O HETATM 2092 O HOH 195 -26.847 -2.155 3.463 1.00 19.14 O HETATM 2093 O HOH 196 -15.638 7.118 4.144 1.00 50.93 O HETATM 2094 O HOH 197 -20.010 -6.492 0.178 1.00 26.73 O HETATM 2095 O HOH 198 -6.960 -11.057 31.798 1.00 27.95 O HETATM 2096 O HOH 199 11.038 -5.376 14.065 1.00 44.69 O HETATM 2097 O HOH 200 -4.014 -23.503 3.913 1.00 38.14 O HETATM 2098 O HOH 201 0.532 -5.022 -3.990 1.00 25.84 O HETATM 2099 O HOH 202 -4.206 13.873 -0.432 1.00 39.68 O HETATM 2100 O HOH 203 -11.187 6.010 4.867 1.00 46.64 O HETATM 2101 O HOH 204 -11.359 5.638 23.927 1.00 29.56 O HETATM 2102 O HOH 205 1.234 8.588 -19.671 1.00 48.56 O HETATM 2103 O HOH 206 -26.835 -11.743 6.467 1.00 27.95 O HETATM 2104 O HOH 207 6.611 6.622 18.391 1.00 33.77 O HETATM 2105 O HOH 208 -17.673 -3.691 -1.927 1.00 36.05 O HETATM 2106 O HOH 209 -1.042 -13.642 -7.796 1.00 20.00 O HETATM 2107 O HOH 210 -18.349 -10.934 18.777 1.00 35.62 O HETATM 2108 O HOH 211 4.861 -27.267 9.939 1.00 30.72 O HETATM 2109 O HOH 212 -14.663 -29.746 7.513 1.00 38.21 O HETATM 2110 O HOH 213 -17.421 -8.455 -7.087 1.00 45.03 O HETATM 2111 O HOH 214 11.954 12.680 0.726 1.00 41.05 O HETATM 2112 O HOH 215 -2.388 -20.458 3.615 1.00 30.99 O HETATM 2113 O HOH 216 0.908 -17.169 1.707 1.00 20.89 O HETATM 2114 O HOH 217 -22.277 -0.660 18.047 1.00 37.45 O HETATM 2115 O HOH 218 6.519 -3.674 13.005 1.00 26.68 O HETATM 2116 O HOH 219 10.585 -22.892 10.157 1.00 36.79 O HETATM 2117 O HOH 220 -0.273 -6.165 -9.970 1.00 29.36 O HETATM 2118 O HOH 221 -11.010 -4.586 -15.605 1.00 39.22 O HETATM 2119 O HOH 222 13.824 -6.584 18.499 1.00 40.69 O HETATM 2120 O HOH 223 -19.569 -7.984 21.218 1.00 35.25 O HETATM 2121 O HOH 224 -25.910 -8.334 -0.112 1.00 30.34 O HETATM 2122 O HOH 225 -18.996 -10.539 21.440 1.00 38.79 O HETATM 2123 O HOH 226 2.273 -3.821 -7.326 1.00 18.70 O HETATM 2124 O HOH 227 11.000 -0.414 14.751 1.00 36.30 O HETATM 2125 O HOH 228 -4.769 -5.942 30.697 1.00 22.61 O HETATM 2126 O HOH 229 -17.795 -13.237 21.975 1.00 30.66 O HETATM 2127 O HOH 230 -13.307 13.814 -4.881 1.00 44.21 O HETATM 2128 O HOH 231 -0.978 -8.913 -12.208 1.00 30.36 O HETATM 2129 O HOH 232 10.621 -1.955 13.074 1.00 34.79 O HETATM 2130 O HOH 233 10.098 1.129 15.588 1.00 42.77 O HETATM 2131 O HOH 234 5.697 -19.627 15.500 1.00 38.03 O HETATM 2132 O HOH 235 -26.354 -4.210 1.613 1.00 30.31 O HETATM 2133 O HOH 236 1.146 -20.596 3.802 1.00 30.10 O HETATM 2134 O HOH 237 -16.940 2.094 5.006 1.00 40.33 O HETATM 2135 O HOH 238 -7.466 -3.137 32.775 1.00 30.64 O HETATM 2136 O HOH 239 10.256 -6.506 22.002 1.00 43.02 O HETATM 2137 O HOH 240 -16.819 -17.194 12.956 1.00 34.73 O HETATM 2138 O HOH 241 -11.248 -30.104 8.196 1.00 36.66 O HETATM 2139 O HOH 242 -8.994 5.631 -13.032 1.00 39.65 O HETATM 2140 O HOH 243 -0.363 -19.283 2.082 1.00 29.76 O HETATM 2141 O HOH 244 -17.246 -15.017 16.305 1.00 20.00 O HETATM 2142 O HOH 245 -25.934 11.772 8.182 1.00 39.41 O HETATM 2143 O HOH 246 7.084 -5.247 0.412 1.00 37.25 O HETATM 2144 O HOH 247 -4.485 -15.053 32.877 1.00 38.63 O HETATM 2145 O HOH 248 3.693 -5.089 24.565 1.00 41.19 O HETATM 2146 O HOH 249 -26.770 -1.608 11.824 1.00 26.16 O HETATM 2147 O HOH 250 0.675 -19.249 20.497 1.00 39.38 O HETATM 2148 O HOH 251 -17.091 -12.637 34.607 1.00 39.43 O HETATM 2149 O HOH 252 -7.678 -28.062 5.468 1.00 35.49 O HETATM 2150 O HOH 253 7.907 9.156 17.080 1.00 20.00 O HETATM 2151 O HOH 254 -0.820 16.309 1.889 1.00 41.08 O HETATM 2152 O4 SF A 7 -4.405 -2.171 12.840 1.00 -0.40 O HETATM 2153 C3 SF A 7 -5.441 -2.607 12.336 1.00 0.20 C HETATM 2154 N1 SF A 7 -5.507 -3.783 11.737 1.00 -0.16 N HETATM 2155 O2 SF A 7 -4.393 -4.589 11.611 1.00 -0.27 O HETATM 2156 H2 SF A 7 -4.632 -5.388 11.156 1.00 0.25 H HETATM 2157 H1 SF A 7 -6.382 -4.096 11.367 1.00 0.22 H HETATM 2158 C5 SF A 7 -6.728 -1.818 12.400 1.00 0.06 C HETATM 2159 C6 SF A 7 -6.804 -0.798 11.277 1.00 0.07 C HETATM 2160 C7 SF A 7 -7.119 -1.488 9.944 1.00 -0.03 C HETATM 2161 C8 SF A 7 -6.683 -0.663 8.745 1.00 -0.05 C HETATM 2162 C9 SF A 7 -7.150 -1.337 7.451 1.00 -0.06 C HETATM 2163 C10 SF A 7 -7.150 -0.373 6.294 1.00 -0.07 C HETATM 2164 H12 SF A 7 -7.490 -0.891 5.385 1.00 0.02 H HETATM 2165 H13 SF A 7 -6.131 0.012 6.137 1.00 0.02 H HETATM 2166 H14 SF A 7 -7.829 0.464 6.514 1.00 0.02 H HETATM 2167 H10 SF A 7 -8.171 -1.721 7.596 1.00 0.03 H HETATM 2168 H11 SF A 7 -6.474 -2.173 7.219 1.00 0.03 H HETATM 2169 H8 SF A 7 -5.586 -0.581 8.738 1.00 0.03 H HETATM 2170 H9 SF A 7 -7.125 0.342 8.813 1.00 0.03 H HETATM 2171 H6 SF A 7 -8.204 -1.655 9.881 1.00 0.03 H HETATM 2172 H7 SF A 7 -6.596 -2.455 9.915 1.00 0.03 H HETATM 2173 C12 SF A 7 -7.889 0.218 11.704 1.00 0.22 C HETATM 2174 O13 SF A 7 -9.174 0.469 11.500 1.00 -0.13 O HETATM 2175 N15 SF A 7 -9.441 1.683 11.953 1.00 -0.13 N HETATM 2176 C16 SF A 7 -8.314 2.188 12.412 1.00 0.07 C HETATM 2177 N14 SF A 7 -7.337 1.283 12.252 1.00 -0.28 N HETATM 2178 H15 SF A 7 -8.195 3.178 12.850 1.00 0.08 H HETATM 2179 H5 SF A 7 -5.839 -0.279 11.179 1.00 0.06 H HETATM 2180 H3 SF A 7 -6.779 -1.293 13.365 1.00 0.05 H HETATM 2181 H4 SF A 7 -7.578 -2.511 12.313 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 85 83 84 1903 CONECT 140 139 1903 CONECT 141 139 1903 CONECT 386 385 1904 CONECT 420 418 1904 CONECT 508 506 507 1899 CONECT 1080 1078 1079 1900 CONECT 1178 1179 1186 1187 1188 CONECT 1186 1178 CONECT 1187 1178 CONECT 1188 1178 CONECT 1313 1311 1312 1902 CONECT 1372 1370 1905 CONECT 1615 1613 1614 1898 CONECT 1654 1652 1653 1898 CONECT 1776 1775 1901 CONECT 1777 1775 1901 CONECT 1898 1615 1654 CONECT 1899 508 CONECT 1900 1080 CONECT 1901 1776 1777 CONECT 1902 1313 CONECT 1903 85 140 141 CONECT 1904 386 420 CONECT 1905 1372 CONECT 2152 2153 CONECT 2153 2152 2154 2158 CONECT 2154 2153 2155 2157 CONECT 2155 2154 2156 CONECT 2156 2155 CONECT 2157 2154 CONECT 2158 2153 2159 2180 2181 CONECT 2159 2158 2160 2173 2179 CONECT 2160 2159 2161 2171 2172 CONECT 2161 2160 2162 2169 2170 CONECT 2162 2161 2163 2167 2168 CONECT 2163 2162 2164 2165 2166 CONECT 2164 2163 CONECT 2165 2163 CONECT 2166 2163 CONECT 2167 2162 CONECT 2168 2162 CONECT 2169 2161 CONECT 2170 2161 CONECT 2171 2160 CONECT 2172 2160 CONECT 2173 2159 2174 2177 CONECT 2174 2173 2175 CONECT 2175 2174 2176 CONECT 2176 2175 2177 2178 CONECT 2177 2173 2176 CONECT 2178 2176 CONECT 2179 2159 CONECT 2180 2158 CONECT 2181 2158 MASTER 0 0 0 0 0 0 0 0 2179 2 59 16 END
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Related entries of code: 5jf2
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
204aa, >5JF1_1|Chain... *
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PDBbind
204aa, >5JF3_1|Chain... at 100%
5jf4
RCSB PDB
PDBbind
204aa, >5JF4_1|Chain... at 100%
5jf5
RCSB PDB
PDBbind
204aa, >5JF5_1|Chain... at 100%
5jf6
RCSB PDB
PDBbind
204aa, >5JF6_1|Chain... at 100%
5jf7
RCSB PDB
PDBbind
204aa, >5JF7_1|Chain... at 100%
5jf8
RCSB PDB
PDBbind
204aa, >5JF8_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
5jf2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
type 2 PDF from Streptococcus agalactiae
Ligand Name
SF7
EC.Number
E.C.3.5.1.88
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=13nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 35429-35429
Ligand Properties
Formula
C
9
H
1
5
N
3
O
3
Molecular Weight
213.234
Exact Mass
213.111
No. of atoms
30
No. of bonds
30
Polar Surface Area
88.25
LOGP Value
0.96 (
Computed with XLOGP3
)
1.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
Canonical SMILES
CCCC[C@@H](c1ncno1)CC(=O)NO
InChI String
InChI=1S/C9H15N3O3/c1-2-3-4-7(5-8(13)12-14)9-10-6-11-15-9/h6-7,14H,2-5H2,1H3,(H,12,13)/t7-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8E378
Entrez Gene ID
NCBI Entrez Gene ID:
61439046
ASD
Information of known allosteric effects of PDB entries
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