Browse entries in the PDBbind-CN Database
HEADER 4J93_COMPLEX COMPND 4J93_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 146 PRO ILE VAL GLN ASN LEU GLN GLY GLN MET VAL HIS GLN SEQRES 2 A 146 ALA ILE SER PRO ARG THR LEU ASN ALA TRP VAL LYS VAL SEQRES 3 A 146 VAL GLU GLU LYS ALA PHE SER PRO GLU VAL ILE PRO MET SEQRES 4 A 146 PHE SER ALA LEU SER GLU GLY ALA THR PRO GLN ASP LEU SEQRES 5 A 146 ASN THR MET LEU ASN THR VAL GLY GLY HIS GLN ALA ALA SEQRES 6 A 146 MET GLN MET LEU LYS GLU THR ILE ASN GLU GLU ALA ALA SEQRES 7 A 146 GLU TRP ASP ARG LEU HIS PRO VAL HIS ALA GLY PRO ILE SEQRES 8 A 146 ALA PRO GLY GLN MET ARG GLU PRO ARG GLY SER ASP ILE SEQRES 9 A 146 ALA GLY THR THR SER THR LEU GLN GLU GLN ILE GLY TRP SEQRES 10 A 146 MET THR HIS ASN PRO PRO ILE PRO VAL GLY GLU ILE TYR SEQRES 11 A 146 LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS ILE VAL ARG SEQRES 12 A 146 MET TYR SER HET UNN A 295 33 ATOM 1 N PRO A 1 11.004 -1.033 16.402 1.00 20.31 N ATOM 2 CA PRO A 1 11.994 -0.735 15.362 1.00 24.24 C ATOM 3 C PRO A 1 12.984 -1.872 15.173 1.00 27.10 C ATOM 4 O PRO A 1 13.006 -2.817 15.959 1.00 27.25 O ATOM 5 CB PRO A 1 12.719 0.499 15.912 1.00 27.39 C ATOM 6 CG PRO A 1 12.499 0.445 17.383 1.00 28.37 C ATOM 7 CD PRO A 1 11.122 -0.118 17.551 1.00 18.77 C ATOM 8 HA PRO A 1 11.530 -0.583 14.387 1.00 0.00 H ATOM 9 HN2 PRO A 1 11.147 -2.009 16.733 1.00 0.00 H ATOM 10 HN1 PRO A 1 10.051 -0.942 15.996 1.00 0.00 H ATOM 11 HD3 PRO A 1 11.030 -0.657 18.494 1.00 0.00 H ATOM 12 HD2 PRO A 1 10.368 0.668 17.507 1.00 0.00 H ATOM 13 HG3 PRO A 1 12.560 1.443 17.816 1.00 0.00 H ATOM 14 HG2 PRO A 1 13.238 -0.201 17.857 1.00 0.00 H ATOM 15 HB2 PRO A 1 13.783 0.454 15.681 1.00 0.00 H ATOM 16 HB3 PRO A 1 12.295 1.412 15.493 1.00 0.00 H ATOM 17 N ILE A 2 13.787 -1.781 14.121 1.00 27.77 N ATOM 18 CA ILE A 2 14.889 -2.707 13.931 1.00 25.66 C ATOM 19 C ILE A 2 16.176 -2.008 14.342 1.00 29.40 C ATOM 20 O ILE A 2 16.528 -0.962 13.797 1.00 27.19 O ATOM 21 CB ILE A 2 14.975 -3.196 12.479 1.00 25.10 C ATOM 22 CG1 ILE A 2 13.706 -3.974 12.120 1.00 25.47 C ATOM 23 CG2 ILE A 2 16.212 -4.063 12.282 1.00 27.68 C ATOM 24 CD1 ILE A 2 13.756 -4.638 10.761 1.00 31.77 C ATOM 25 HA ILE A 2 14.727 -3.590 14.549 1.00 0.00 H ATOM 26 HB ILE A 2 15.058 -2.334 11.817 1.00 0.00 H ATOM 27 HG12 ILE A 2 13.552 -4.746 12.874 1.00 0.00 H ATOM 28 HG13 ILE A 2 12.864 -3.282 12.133 1.00 0.00 H ATOM 29 HD11 ILE A 2 13.897 -3.879 9.992 1.00 0.00 H ATOM 30 HD12 ILE A 2 14.586 -5.344 10.733 1.00 0.00 H ATOM 31 HD13 ILE A 2 12.820 -5.168 10.582 1.00 0.00 H ATOM 32 HG21 ILE A 2 17.103 -3.480 12.514 1.00 0.00 H ATOM 33 HG22 ILE A 2 16.158 -4.926 12.945 1.00 0.00 H ATOM 34 HG23 ILE A 2 16.256 -4.401 11.247 1.00 0.00 H ATOM 35 H ILE A 2 13.624 -1.032 13.419 1.00 0.00 H ATOM 36 N VAL A 3 16.860 -2.576 15.329 1.00 24.79 N ATOM 37 CA VAL A 3 18.067 -1.965 15.866 1.00 27.08 C ATOM 38 C VAL A 3 19.215 -2.963 15.878 1.00 36.65 C ATOM 39 O VAL A 3 18.999 -4.173 15.836 1.00 34.22 O ATOM 40 CB VAL A 3 17.846 -1.433 17.297 1.00 34.18 C ATOM 41 CG1 VAL A 3 16.735 -0.394 17.310 1.00 33.05 C ATOM 42 CG2 VAL A 3 17.524 -2.577 18.244 1.00 31.04 C ATOM 43 HA VAL A 3 18.317 -1.126 15.216 1.00 0.00 H ATOM 44 HB VAL A 3 18.765 -0.956 17.637 1.00 0.00 H ATOM 45 HG11 VAL A 3 17.009 0.437 16.660 1.00 0.00 H ATOM 46 HG12 VAL A 3 15.811 -0.848 16.952 1.00 0.00 H ATOM 47 HG13 VAL A 3 16.592 -0.029 18.327 1.00 0.00 H ATOM 48 HG21 VAL A 3 16.618 -3.081 17.908 1.00 0.00 H ATOM 49 HG22 VAL A 3 18.353 -3.285 18.252 1.00 0.00 H ATOM 50 HG23 VAL A 3 17.371 -2.183 19.249 1.00 0.00 H ATOM 51 H VAL A 3 16.526 -3.477 15.727 1.00 0.00 H ATOM 52 N GLN A 4 20.435 -2.445 15.927 1.00 34.74 N ATOM 53 CA GLN A 4 21.613 -3.295 15.999 1.00 37.86 C ATOM 54 C GLN A 4 21.996 -3.530 17.454 1.00 37.77 C ATOM 55 O GLN A 4 22.097 -2.585 18.238 1.00 35.14 O ATOM 56 CB GLN A 4 22.778 -2.650 15.249 1.00 38.04 C ATOM 57 CG GLN A 4 24.033 -3.502 15.208 1.00 53.78 C ATOM 58 CD GLN A 4 25.180 -2.810 14.502 1.00 64.65 C ATOM 59 OE1 GLN A 4 26.221 -3.414 14.245 1.00 70.29 O ATOM 60 NE2 GLN A 4 24.995 -1.533 14.186 1.00 61.78 N ATOM 61 HA GLN A 4 21.384 -4.253 15.532 1.00 0.00 H ATOM 62 HB2 GLN A 4 22.461 -2.456 14.224 1.00 0.00 H ATOM 63 HB3 GLN A 4 23.020 -1.706 15.738 1.00 0.00 H ATOM 64 HG2 GLN A 4 24.336 -3.728 16.230 1.00 0.00 H ATOM 65 HG3 GLN A 4 23.809 -4.431 14.684 1.00 0.00 H ATOM 66 HE22 GLN A 4 24.098 -1.063 14.423 1.00 0.00 H ATOM 67 HE21 GLN A 4 25.747 -1.003 13.701 1.00 0.00 H ATOM 68 H GLN A 4 20.551 -1.412 15.914 1.00 0.00 H ATOM 69 N ASN A 5 22.196 -4.791 17.823 1.00 32.93 N ATOM 70 CA ASN A 5 22.677 -5.098 19.165 1.00 32.51 C ATOM 71 C ASN A 5 24.202 -5.129 19.202 1.00 39.93 C ATOM 72 O ASN A 5 24.855 -4.800 18.214 1.00 42.24 O ATOM 73 CB ASN A 5 22.075 -6.402 19.697 1.00 34.51 C ATOM 74 CG ASN A 5 22.475 -7.608 18.881 1.00 38.03 C ATOM 75 OD1 ASN A 5 23.354 -7.531 18.024 1.00 38.33 O ATOM 76 ND2 ASN A 5 21.834 -8.740 19.152 1.00 41.95 N ATOM 77 HA ASN A 5 22.343 -4.300 19.828 1.00 0.00 H ATOM 78 HB2 ASN A 5 22.412 -6.548 20.723 1.00 0.00 H ATOM 79 HB3 ASN A 5 20.989 -6.316 19.682 1.00 0.00 H ATOM 80 HD22 ASN A 5 21.097 -8.758 19.886 1.00 0.00 H ATOM 81 HD21 ASN A 5 22.069 -9.608 18.630 1.00 0.00 H ATOM 82 H ASN A 5 22.009 -5.563 17.151 1.00 0.00 H ATOM 83 N LEU A 6 24.768 -5.519 20.340 1.00 42.89 N ATOM 84 CA LEU A 6 26.220 -5.513 20.502 1.00 41.22 C ATOM 85 C LEU A 6 26.898 -6.598 19.673 1.00 45.18 C ATOM 86 O LEU A 6 28.096 -6.531 19.406 1.00 43.11 O ATOM 87 CB LEU A 6 26.599 -5.660 21.974 1.00 34.12 C ATOM 88 CG LEU A 6 26.174 -4.493 22.864 1.00 39.70 C ATOM 89 CD1 LEU A 6 26.579 -4.744 24.306 1.00 40.32 C ATOM 90 CD2 LEU A 6 26.775 -3.191 22.354 1.00 40.40 C ATOM 91 HA LEU A 6 26.577 -4.550 20.135 1.00 0.00 H ATOM 92 HB2 LEU A 6 26.130 -6.567 22.356 1.00 0.00 H ATOM 93 HB3 LEU A 6 27.683 -5.758 22.037 1.00 0.00 H ATOM 94 HG LEU A 6 25.088 -4.408 22.827 1.00 0.00 H ATOM 95 HD21 LEU A 6 27.862 -3.267 22.362 1.00 0.00 H ATOM 96 HD22 LEU A 6 26.430 -3.007 21.337 1.00 0.00 H ATOM 97 HD23 LEU A 6 26.462 -2.370 23.000 1.00 0.00 H ATOM 98 HD11 LEU A 6 26.098 -5.655 24.664 1.00 0.00 H ATOM 99 HD12 LEU A 6 27.662 -4.856 24.364 1.00 0.00 H ATOM 100 HD13 LEU A 6 26.267 -3.901 24.922 1.00 0.00 H ATOM 101 H LEU A 6 24.167 -5.834 21.128 1.00 0.00 H ATOM 102 N GLN A 7 26.124 -7.595 19.267 1.00 44.84 N ATOM 103 CA GLN A 7 26.653 -8.676 18.450 1.00 47.95 C ATOM 104 C GLN A 7 26.520 -8.337 16.967 1.00 58.44 C ATOM 105 O GLN A 7 26.551 -9.219 16.109 1.00 59.43 O ATOM 106 CB GLN A 7 25.944 -9.986 18.794 1.00 57.75 C ATOM 107 CG GLN A 7 25.986 -10.300 20.283 1.00 38.94 C ATOM 108 CD GLN A 7 25.109 -11.470 20.670 1.00 65.50 C ATOM 109 OE1 GLN A 7 24.834 -12.353 19.857 1.00 74.85 O ATOM 110 NE2 GLN A 7 24.658 -11.481 21.920 1.00 68.85 N ATOM 111 HA GLN A 7 27.714 -8.802 18.664 1.00 0.00 H ATOM 112 HB2 GLN A 7 24.902 -9.912 18.482 1.00 0.00 H ATOM 113 HB3 GLN A 7 26.428 -10.798 18.252 1.00 0.00 H ATOM 114 HG2 GLN A 7 27.015 -10.531 20.560 1.00 0.00 H ATOM 115 HG3 GLN A 7 25.652 -9.420 20.833 1.00 0.00 H ATOM 116 HE22 GLN A 7 24.916 -10.714 22.573 1.00 0.00 H ATOM 117 HE21 GLN A 7 24.047 -12.257 22.246 1.00 0.00 H ATOM 118 H GLN A 7 25.120 -7.604 19.538 1.00 0.00 H ATOM 119 N GLY A 8 26.369 -7.045 16.684 1.00 55.77 N ATOM 120 CA GLY A 8 26.343 -6.537 15.323 1.00 39.87 C ATOM 121 C GLY A 8 25.108 -6.896 14.521 1.00 58.97 C ATOM 122 O GLY A 8 24.952 -6.452 13.383 1.00 59.51 O ATOM 123 HA3 GLY A 8 27.212 -6.934 14.799 1.00 0.00 H ATOM 124 HA2 GLY A 8 26.412 -5.450 15.368 1.00 0.00 H ATOM 125 H GLY A 8 26.265 -6.371 17.470 1.00 0.00 H ATOM 126 N GLN A 9 24.223 -7.692 15.111 1.00 44.40 N ATOM 127 CA GLN A 9 23.059 -8.195 14.389 1.00 50.73 C ATOM 128 C GLN A 9 21.834 -7.292 14.529 1.00 45.33 C ATOM 129 O GLN A 9 21.550 -6.762 15.605 1.00 42.81 O ATOM 130 CB GLN A 9 22.735 -9.625 14.830 1.00 48.53 C ATOM 131 CG GLN A 9 22.582 -9.792 16.331 1.00 57.67 C ATOM 132 CD GLN A 9 22.619 -11.244 16.765 1.00 58.29 C ATOM 133 OE1 GLN A 9 23.252 -12.081 16.122 1.00 70.85 O ATOM 134 NE2 GLN A 9 21.937 -11.551 17.862 1.00 56.70 N ATOM 135 HA GLN A 9 23.320 -8.197 13.331 1.00 0.00 H ATOM 136 HB2 GLN A 9 21.801 -9.927 14.355 1.00 0.00 H ATOM 137 HB3 GLN A 9 23.540 -10.278 14.493 1.00 0.00 H ATOM 138 HG2 GLN A 9 23.394 -9.259 16.826 1.00 0.00 H ATOM 139 HG3 GLN A 9 21.628 -9.361 16.635 1.00 0.00 H ATOM 140 HE22 GLN A 9 21.416 -10.811 18.374 1.00 0.00 H ATOM 141 HE21 GLN A 9 21.924 -12.531 18.209 1.00 0.00 H ATOM 142 H GLN A 9 24.362 -7.962 16.106 1.00 0.00 H ATOM 143 N MET A 10 21.115 -7.119 13.424 1.00 48.77 N ATOM 144 CA MET A 10 19.895 -6.323 13.418 1.00 41.89 C ATOM 145 C MET A 10 18.750 -7.138 14.005 1.00 42.35 C ATOM 146 O MET A 10 18.406 -8.200 13.485 1.00 47.62 O ATOM 147 CB MET A 10 19.550 -5.879 11.994 1.00 45.49 C ATOM 148 CG MET A 10 20.651 -5.092 11.300 1.00 45.11 C ATOM 149 SD MET A 10 21.131 -3.604 12.198 1.00 57.84 S ATOM 150 CE MET A 10 19.562 -2.744 12.288 1.00 32.86 C ATOM 151 HA MET A 10 20.052 -5.432 14.026 1.00 0.00 H ATOM 152 HB2 MET A 10 19.340 -6.769 11.400 1.00 0.00 H ATOM 153 HB3 MET A 10 18.658 -5.254 12.038 1.00 0.00 H ATOM 154 HG2 MET A 10 20.299 -4.802 10.310 1.00 0.00 H ATOM 155 HG3 MET A 10 21.526 -5.734 11.199 1.00 0.00 H ATOM 156 HE1 MET A 10 19.199 -2.547 11.279 1.00 0.00 H ATOM 157 HE2 MET A 10 18.840 -3.362 12.822 1.00 0.00 H ATOM 158 HE3 MET A 10 19.696 -1.801 12.818 1.00 0.00 H ATOM 159 H MET A 10 21.432 -7.564 12.539 1.00 0.00 H ATOM 160 N VAL A 11 18.167 -6.642 15.092 1.00 30.85 N ATOM 161 CA VAL A 11 17.070 -7.339 15.749 1.00 32.84 C ATOM 162 C VAL A 11 15.847 -6.441 15.902 1.00 34.38 C ATOM 163 O VAL A 11 15.969 -5.224 16.046 1.00 29.28 O ATOM 164 CB VAL A 11 17.485 -7.857 17.137 1.00 34.34 C ATOM 165 CG1 VAL A 11 18.557 -8.926 17.004 1.00 40.03 C ATOM 166 CG2 VAL A 11 17.975 -6.709 18.000 1.00 30.39 C ATOM 167 HA VAL A 11 16.814 -8.185 15.111 1.00 0.00 H ATOM 168 HB VAL A 11 16.616 -8.304 17.619 1.00 0.00 H ATOM 169 HG11 VAL A 11 18.168 -9.757 16.416 1.00 0.00 H ATOM 170 HG12 VAL A 11 19.430 -8.504 16.506 1.00 0.00 H ATOM 171 HG13 VAL A 11 18.839 -9.281 17.995 1.00 0.00 H ATOM 172 HG21 VAL A 11 18.834 -6.238 17.523 1.00 0.00 H ATOM 173 HG22 VAL A 11 17.176 -5.977 18.116 1.00 0.00 H ATOM 174 HG23 VAL A 11 18.265 -7.090 18.979 1.00 0.00 H ATOM 175 H VAL A 11 18.501 -5.737 15.481 1.00 0.00 H ATOM 176 N HIS A 12 14.668 -7.050 15.873 1.00 28.62 N ATOM 177 CA HIS A 12 13.433 -6.307 16.062 1.00 27.34 C ATOM 178 C HIS A 12 13.087 -6.160 17.536 1.00 31.55 C ATOM 179 O HIS A 12 13.321 -7.064 18.339 1.00 33.28 O ATOM 180 CB HIS A 12 12.264 -6.980 15.339 1.00 22.80 C ATOM 181 CG HIS A 12 10.956 -6.287 15.553 1.00 27.20 C ATOM 182 ND1 HIS A 12 10.011 -6.737 16.450 1.00 31.96 N ATOM 183 CD2 HIS A 12 10.446 -5.158 15.005 1.00 25.00 C ATOM 184 CE1 HIS A 12 8.969 -5.924 16.434 1.00 29.25 C ATOM 185 NE2 HIS A 12 9.209 -4.957 15.566 1.00 24.94 N ATOM 186 HA HIS A 12 13.597 -5.317 15.637 1.00 0.00 H ATOM 187 HB2 HIS A 12 12.479 -6.992 14.270 1.00 0.00 H ATOM 188 HB3 HIS A 12 12.176 -8.004 15.702 1.00 0.00 H ATOM 189 HD2 HIS A 12 10.928 -4.527 14.258 1.00 0.00 H ATOM 190 HE1 HIS A 12 8.066 -6.033 17.034 1.00 0.00 H ATOM 191 H HIS A 12 14.627 -8.077 15.712 1.00 0.00 H ATOM 192 N GLN A 13 12.530 -5.005 17.881 1.00 25.68 N ATOM 193 CA GLN A 13 11.917 -4.800 19.182 1.00 29.74 C ATOM 194 C GLN A 13 10.689 -3.925 18.977 1.00 25.68 C ATOM 195 O GLN A 13 10.679 -3.064 18.101 1.00 32.05 O ATOM 196 CB GLN A 13 12.900 -4.135 20.144 1.00 35.96 C ATOM 197 CG GLN A 13 13.302 -2.730 19.744 1.00 38.65 C ATOM 198 CD GLN A 13 14.404 -2.170 20.622 1.00 53.33 C ATOM 199 OE1 GLN A 13 15.193 -2.919 21.199 1.00 45.97 O ATOM 200 NE2 GLN A 13 14.462 -0.846 20.729 1.00 50.55 N ATOM 201 HA GLN A 13 11.633 -5.756 19.622 1.00 0.00 H ATOM 202 HB2 GLN A 13 12.438 -4.092 21.130 1.00 0.00 H ATOM 203 HB3 GLN A 13 13.800 -4.748 20.192 1.00 0.00 H ATOM 204 HG2 GLN A 13 13.651 -2.746 18.712 1.00 0.00 H ATOM 205 HG3 GLN A 13 12.430 -2.081 19.821 1.00 0.00 H ATOM 206 HE22 GLN A 13 13.774 -0.253 20.223 1.00 0.00 H ATOM 207 HE21 GLN A 13 15.196 -0.404 21.319 1.00 0.00 H ATOM 208 H GLN A 13 12.533 -4.221 17.197 1.00 0.00 H ATOM 209 N ALA A 14 9.646 -4.162 19.765 1.00 29.71 N ATOM 210 CA ALA A 14 8.430 -3.363 19.668 1.00 30.67 C ATOM 211 C ALA A 14 8.730 -1.912 20.026 1.00 27.60 C ATOM 212 O ALA A 14 9.656 -1.641 20.787 1.00 26.87 O ATOM 213 CB ALA A 14 7.356 -3.924 20.580 1.00 36.43 C ATOM 214 HA ALA A 14 8.064 -3.402 18.642 1.00 0.00 H ATOM 215 HB1 ALA A 14 7.132 -4.950 20.287 1.00 0.00 H ATOM 216 HB2 ALA A 14 7.711 -3.908 21.610 1.00 0.00 H ATOM 217 HB3 ALA A 14 6.455 -3.316 20.495 1.00 0.00 H ATOM 218 H ALA A 14 9.698 -4.931 20.463 1.00 0.00 H ATOM 219 N ILE A 15 7.958 -0.984 19.468 1.00 32.15 N ATOM 220 CA ILE A 15 8.108 0.430 19.797 1.00 32.19 C ATOM 221 C ILE A 15 7.901 0.614 21.298 1.00 31.38 C ATOM 222 O ILE A 15 6.994 0.019 21.879 1.00 37.75 O ATOM 223 CB ILE A 15 7.096 1.305 19.018 1.00 29.85 C ATOM 224 CG1 ILE A 15 7.378 2.794 19.238 1.00 34.87 C ATOM 225 CG2 ILE A 15 5.662 0.954 19.404 1.00 36.30 C ATOM 226 CD1 ILE A 15 8.633 3.282 18.556 1.00 49.63 C ATOM 227 HA ILE A 15 9.110 0.748 19.511 1.00 0.00 H ATOM 228 HB ILE A 15 7.216 1.096 17.955 1.00 0.00 H ATOM 229 HG12 ILE A 15 6.533 3.365 18.853 1.00 0.00 H ATOM 230 HG13 ILE A 15 7.477 2.971 20.309 1.00 0.00 H ATOM 231 HD11 ILE A 15 9.491 2.729 18.938 1.00 0.00 H ATOM 232 HD12 ILE A 15 8.546 3.123 17.481 1.00 0.00 H ATOM 233 HD13 ILE A 15 8.765 4.345 18.758 1.00 0.00 H ATOM 234 HG21 ILE A 15 5.471 -0.094 19.173 1.00 0.00 H ATOM 235 HG22 ILE A 15 5.523 1.123 20.472 1.00 0.00 H ATOM 236 HG23 ILE A 15 4.972 1.583 18.842 1.00 0.00 H ATOM 237 H ILE A 15 7.231 -1.272 18.782 1.00 0.00 H ATOM 238 N SER A 16 8.744 1.423 21.933 1.00 24.10 N ATOM 239 CA SER A 16 8.654 1.600 23.385 1.00 28.12 C ATOM 240 C SER A 16 7.595 2.625 23.776 1.00 31.18 C ATOM 241 O SER A 16 7.434 3.645 23.108 1.00 27.25 O ATOM 242 CB SER A 16 10.009 2.003 23.973 1.00 32.10 C ATOM 243 OG SER A 16 10.289 3.370 23.733 1.00 37.16 O ATOM 244 HA SER A 16 8.356 0.637 23.799 1.00 0.00 H ATOM 245 HB2 SER A 16 10.790 1.395 23.516 1.00 0.00 H ATOM 246 HB3 SER A 16 9.996 1.827 25.049 1.00 0.00 H ATOM 247 HG SER A 16 10.307 3.536 22.757 1.00 0.00 H ATOM 248 H SER A 16 9.473 1.934 21.395 1.00 0.00 H ATOM 249 N PRO A 17 6.857 2.351 24.862 1.00 26.28 N ATOM 250 CA PRO A 17 5.895 3.326 25.380 1.00 22.37 C ATOM 251 C PRO A 17 6.585 4.636 25.748 1.00 21.16 C ATOM 252 O PRO A 17 5.936 5.681 25.793 1.00 28.21 O ATOM 253 CB PRO A 17 5.343 2.637 26.629 1.00 33.98 C ATOM 254 CG PRO A 17 5.477 1.184 26.332 1.00 35.36 C ATOM 255 CD PRO A 17 6.758 1.055 25.557 1.00 32.72 C ATOM 256 HA PRO A 17 5.125 3.591 24.656 1.00 0.00 H ATOM 257 HD3 PRO A 17 7.606 0.902 26.224 1.00 0.00 H ATOM 258 HD2 PRO A 17 6.704 0.231 24.845 1.00 0.00 H ATOM 259 HG3 PRO A 17 4.633 0.836 25.736 1.00 0.00 H ATOM 260 HG2 PRO A 17 5.530 0.608 27.256 1.00 0.00 H ATOM 261 HB2 PRO A 17 5.925 2.907 27.510 1.00 0.00 H ATOM 262 HB3 PRO A 17 4.299 2.905 26.789 1.00 0.00 H ATOM 263 N ARG A 18 7.888 4.579 26.002 1.00 23.82 N ATOM 264 CA ARG A 18 8.652 5.788 26.293 1.00 25.36 C ATOM 265 C ARG A 18 8.662 6.681 25.056 1.00 27.55 C ATOM 266 O ARG A 18 8.416 7.886 25.134 1.00 24.00 O ATOM 267 CB ARG A 18 10.082 5.432 26.709 1.00 33.47 C ATOM 268 CG ARG A 18 10.971 6.628 27.008 1.00 25.75 C ATOM 269 CD ARG A 18 10.719 7.200 28.398 1.00 30.89 C ATOM 270 NE ARG A 18 11.252 6.340 29.453 1.00 26.92 N ATOM 271 CZ ARG A 18 11.206 6.632 30.750 1.00 31.83 C ATOM 272 NH1 ARG A 18 10.646 7.763 31.163 1.00 26.92 N ATOM 273 NH2 ARG A 18 11.718 5.790 31.638 1.00 25.22 N ATOM 274 HA ARG A 18 8.185 6.321 27.121 1.00 0.00 H ATOM 275 HB2 ARG A 18 10.032 4.813 27.605 1.00 0.00 H ATOM 276 HB3 ARG A 18 10.539 4.862 25.900 1.00 0.00 H ATOM 277 HG2 ARG A 18 12.013 6.317 26.940 1.00 0.00 H ATOM 278 HG3 ARG A 18 10.776 7.404 26.268 1.00 0.00 H ATOM 279 HD2 ARG A 18 9.644 7.310 28.543 1.00 0.00 H ATOM 280 HD3 ARG A 18 11.195 8.178 28.467 1.00 0.00 H ATOM 281 HE ARG A 18 11.696 5.442 29.172 1.00 0.00 H ATOM 282 HH12 ARG A 18 10.613 7.986 32.178 1.00 0.00 H ATOM 283 HH11 ARG A 18 10.241 8.425 30.471 1.00 0.00 H ATOM 284 HH22 ARG A 18 11.682 6.018 32.652 1.00 0.00 H ATOM 285 HH21 ARG A 18 12.155 4.902 31.320 1.00 0.00 H ATOM 286 H ARG A 18 8.371 3.658 25.993 1.00 0.00 H ATOM 287 N THR A 19 8.946 6.069 23.912 1.00 25.21 N ATOM 288 CA THR A 19 8.935 6.765 22.634 1.00 25.16 C ATOM 289 C THR A 19 7.526 7.213 22.275 1.00 26.34 C ATOM 290 O THR A 19 7.314 8.350 21.843 1.00 24.97 O ATOM 291 CB THR A 19 9.471 5.857 21.518 1.00 28.04 C ATOM 292 OG1 THR A 19 10.832 5.513 21.802 1.00 28.83 O ATOM 293 CG2 THR A 19 9.399 6.564 20.170 1.00 26.10 C ATOM 294 HA THR A 19 9.578 7.640 22.730 1.00 0.00 H ATOM 295 HB THR A 19 8.859 4.956 21.473 1.00 0.00 H ATOM 296 HG1 THR A 19 10.877 5.036 22.669 1.00 0.00 H ATOM 297 HG23 THR A 19 8.363 6.826 19.953 1.00 0.00 H ATOM 298 HG21 THR A 19 10.005 7.469 20.203 1.00 0.00 H ATOM 299 HG22 THR A 19 9.777 5.900 19.392 1.00 0.00 H ATOM 300 H THR A 19 9.185 5.057 23.930 1.00 0.00 H ATOM 301 N LEU A 20 6.559 6.317 22.444 1.00 20.89 N ATOM 302 CA LEU A 20 5.166 6.657 22.168 1.00 25.00 C ATOM 303 C LEU A 20 4.697 7.837 23.016 1.00 24.81 C ATOM 304 O LEU A 20 4.038 8.745 22.516 1.00 24.37 O ATOM 305 CB LEU A 20 4.253 5.454 22.397 1.00 25.71 C ATOM 306 CG LEU A 20 4.369 4.322 21.379 1.00 28.19 C ATOM 307 CD1 LEU A 20 3.509 3.151 21.801 1.00 30.09 C ATOM 308 CD2 LEU A 20 3.979 4.807 19.986 1.00 26.19 C ATOM 309 HA LEU A 20 5.108 6.947 21.119 1.00 0.00 H ATOM 310 HB2 LEU A 20 4.482 5.043 23.380 1.00 0.00 H ATOM 311 HB3 LEU A 20 3.223 5.810 22.385 1.00 0.00 H ATOM 312 HG LEU A 20 5.407 3.993 21.341 1.00 0.00 H ATOM 313 HD21 LEU A 20 2.949 5.163 20.002 1.00 0.00 H ATOM 314 HD22 LEU A 20 4.641 5.620 19.687 1.00 0.00 H ATOM 315 HD23 LEU A 20 4.069 3.984 19.277 1.00 0.00 H ATOM 316 HD11 LEU A 20 3.840 2.791 22.775 1.00 0.00 H ATOM 317 HD12 LEU A 20 2.469 3.470 21.864 1.00 0.00 H ATOM 318 HD13 LEU A 20 3.601 2.351 21.066 1.00 0.00 H ATOM 319 H LEU A 20 6.798 5.361 22.777 1.00 0.00 H ATOM 320 N ASN A 21 5.036 7.823 24.301 1.00 21.65 N ATOM 321 CA ASN A 21 4.643 8.914 25.182 1.00 23.76 C ATOM 322 C ASN A 21 5.237 10.247 24.761 1.00 26.86 C ATOM 323 O ASN A 21 4.578 11.279 24.857 1.00 25.70 O ATOM 324 CB ASN A 21 4.998 8.599 26.635 1.00 25.98 C ATOM 325 CG ASN A 21 4.049 7.605 27.252 1.00 24.86 C ATOM 326 OD1 ASN A 21 3.109 7.148 26.604 1.00 27.12 O ATOM 327 ND2 ASN A 21 4.287 7.258 28.511 1.00 26.95 N ATOM 328 HA ASN A 21 3.560 9.008 25.099 1.00 0.00 H ATOM 329 HB2 ASN A 21 6.007 8.188 26.669 1.00 0.00 H ATOM 330 HB3 ASN A 21 4.963 9.523 27.213 1.00 0.00 H ATOM 331 HD22 ASN A 21 5.094 7.671 29.020 1.00 0.00 H ATOM 332 HD21 ASN A 21 3.666 6.574 28.988 1.00 0.00 H ATOM 333 H ASN A 21 5.586 7.026 24.681 1.00 0.00 H ATOM 334 N ALA A 22 6.482 10.223 24.294 1.00 22.71 N ATOM 335 CA ALA A 22 7.134 11.442 23.819 1.00 23.45 C ATOM 336 C ALA A 22 6.429 11.998 22.585 1.00 23.26 C ATOM 337 O ALA A 22 6.330 13.214 22.413 1.00 23.80 O ATOM 338 CB ALA A 22 8.603 11.185 23.527 1.00 26.90 C ATOM 339 HA ALA A 22 7.065 12.189 24.610 1.00 0.00 H ATOM 340 HB1 ALA A 22 9.100 10.850 24.438 1.00 0.00 H ATOM 341 HB2 ALA A 22 8.690 10.416 22.760 1.00 0.00 H ATOM 342 HB3 ALA A 22 9.069 12.106 23.175 1.00 0.00 H ATOM 343 H ALA A 22 7.000 9.322 24.266 1.00 0.00 H ATOM 344 N TRP A 23 5.939 11.105 21.730 1.00 24.30 N ATOM 345 CA TRP A 23 5.217 11.515 20.529 1.00 28.28 C ATOM 346 C TRP A 23 3.857 12.111 20.886 1.00 31.08 C ATOM 347 O TRP A 23 3.488 13.184 20.399 1.00 26.18 O ATOM 348 CB TRP A 23 5.056 10.335 19.566 1.00 22.47 C ATOM 349 CG TRP A 23 4.139 10.613 18.417 1.00 18.81 C ATOM 350 CD1 TRP A 23 3.006 9.929 18.092 1.00 20.76 C ATOM 351 CD2 TRP A 23 4.270 11.659 17.444 1.00 25.00 C ATOM 352 NE1 TRP A 23 2.424 10.479 16.975 1.00 25.88 N ATOM 353 CE2 TRP A 23 3.180 11.543 16.558 1.00 24.35 C ATOM 354 CE3 TRP A 23 5.202 12.681 17.237 1.00 24.06 C ATOM 355 CZ2 TRP A 23 2.996 12.410 15.482 1.00 23.04 C ATOM 356 CZ3 TRP A 23 5.017 13.541 16.166 1.00 21.64 C ATOM 357 CH2 TRP A 23 3.925 13.398 15.302 1.00 27.14 C ATOM 358 HA TRP A 23 5.802 12.287 20.030 1.00 0.00 H ATOM 359 HB2 TRP A 23 6.038 10.080 19.168 1.00 0.00 H ATOM 360 HB3 TRP A 23 4.660 9.487 20.125 1.00 0.00 H ATOM 361 HE1 TRP A 23 1.551 10.142 16.520 1.00 0.00 H ATOM 362 HD1 TRP A 23 2.618 9.070 18.639 1.00 0.00 H ATOM 363 HZ2 TRP A 23 2.144 12.305 14.810 1.00 0.00 H ATOM 364 HH2 TRP A 23 3.812 14.089 14.467 1.00 0.00 H ATOM 365 HZ3 TRP A 23 5.735 14.343 15.993 1.00 0.00 H ATOM 366 HE3 TRP A 23 6.056 12.799 17.904 1.00 0.00 H ATOM 367 H TRP A 23 6.073 10.092 21.921 1.00 0.00 H ATOM 368 N VAL A 24 3.118 11.413 21.742 1.00 25.76 N ATOM 369 CA VAL A 24 1.833 11.908 22.217 1.00 26.94 C ATOM 370 C VAL A 24 2.023 13.271 22.869 1.00 28.45 C ATOM 371 O VAL A 24 1.205 14.176 22.695 1.00 32.03 O ATOM 372 CB VAL A 24 1.201 10.949 23.245 1.00 31.55 C ATOM 373 CG1 VAL A 24 0.008 11.604 23.921 1.00 34.75 C ATOM 374 CG2 VAL A 24 0.794 9.643 22.576 1.00 28.22 C ATOM 375 HA VAL A 24 1.166 11.983 21.358 1.00 0.00 H ATOM 376 HB VAL A 24 1.944 10.723 24.010 1.00 0.00 H ATOM 377 HG11 VAL A 24 0.334 12.509 24.434 1.00 0.00 H ATOM 378 HG12 VAL A 24 -0.739 11.860 23.169 1.00 0.00 H ATOM 379 HG13 VAL A 24 -0.424 10.911 24.643 1.00 0.00 H ATOM 380 HG21 VAL A 24 0.067 9.850 21.790 1.00 0.00 H ATOM 381 HG22 VAL A 24 1.674 9.168 22.143 1.00 0.00 H ATOM 382 HG23 VAL A 24 0.350 8.979 23.318 1.00 0.00 H ATOM 383 H VAL A 24 3.465 10.493 22.080 1.00 0.00 H ATOM 384 N LYS A 25 3.119 13.412 23.607 1.00 25.22 N ATOM 385 CA LYS A 25 3.400 14.645 24.332 1.00 26.81 C ATOM 386 C LYS A 25 3.631 15.830 23.400 1.00 32.86 C ATOM 387 O LYS A 25 3.069 16.906 23.608 1.00 35.33 O ATOM 388 CB LYS A 25 4.601 14.467 25.262 1.00 37.14 C ATOM 389 CG LYS A 25 4.959 15.724 26.036 1.00 46.43 C ATOM 390 CD LYS A 25 6.168 15.514 26.927 1.00 49.91 C ATOM 391 CE LYS A 25 6.492 16.778 27.707 1.00 73.54 C ATOM 392 NZ LYS A 25 5.326 17.248 28.511 1.00 67.29 N ATOM 393 HA LYS A 25 2.514 14.866 24.928 1.00 0.00 H ATOM 394 HB2 LYS A 25 4.371 13.676 25.976 1.00 0.00 H ATOM 395 HB3 LYS A 25 5.462 14.174 24.662 1.00 0.00 H ATOM 396 HG2 LYS A 25 5.177 16.524 25.328 1.00 0.00 H ATOM 397 HG3 LYS A 25 4.109 16.011 26.656 1.00 0.00 H ATOM 398 HD2 LYS A 25 5.959 14.705 27.628 1.00 0.00 H ATOM 399 HD3 LYS A 25 7.025 15.246 26.309 1.00 0.00 H ATOM 400 HE2 LYS A 25 6.776 17.562 27.006 1.00 0.00 H ATOM 401 HE3 LYS A 25 7.325 16.574 28.379 1.00 0.00 H ATOM 402 HZ1 LYS A 25 4.528 17.451 27.876 1.00 0.00 H ATOM 403 HZ2 LYS A 25 5.052 16.507 29.188 1.00 0.00 H ATOM 404 HZ3 LYS A 25 5.588 18.112 29.028 1.00 0.00 H ATOM 405 H LYS A 25 3.793 12.623 23.669 1.00 0.00 H ATOM 406 N VAL A 26 4.458 15.638 22.376 1.00 30.95 N ATOM 407 CA VAL A 26 4.794 16.735 21.474 1.00 37.13 C ATOM 408 C VAL A 26 3.544 17.261 20.777 1.00 28.70 C ATOM 409 O VAL A 26 3.406 18.465 20.553 1.00 37.21 O ATOM 410 CB VAL A 26 5.857 16.333 20.424 1.00 29.23 C ATOM 411 CG1 VAL A 26 5.247 15.445 19.356 1.00 27.65 C ATOM 412 CG2 VAL A 26 6.465 17.574 19.788 1.00 34.29 C ATOM 413 HA VAL A 26 5.225 17.526 22.088 1.00 0.00 H ATOM 414 HB VAL A 26 6.644 15.774 20.930 1.00 0.00 H ATOM 415 HG11 VAL A 26 4.850 14.542 19.819 1.00 0.00 H ATOM 416 HG12 VAL A 26 4.442 15.982 18.855 1.00 0.00 H ATOM 417 HG13 VAL A 26 6.013 15.175 18.629 1.00 0.00 H ATOM 418 HG21 VAL A 26 5.681 18.151 19.299 1.00 0.00 H ATOM 419 HG22 VAL A 26 6.938 18.182 20.560 1.00 0.00 H ATOM 420 HG23 VAL A 26 7.211 17.275 19.052 1.00 0.00 H ATOM 421 H VAL A 26 4.869 14.696 22.216 1.00 0.00 H ATOM 422 N VAL A 27 2.630 16.354 20.447 1.00 30.86 N ATOM 423 CA VAL A 27 1.407 16.724 19.749 1.00 34.66 C ATOM 424 C VAL A 27 0.389 17.367 20.683 1.00 46.53 C ATOM 425 O VAL A 27 -0.227 18.375 20.344 1.00 45.43 O ATOM 426 CB VAL A 27 0.761 15.510 19.056 1.00 34.99 C ATOM 427 CG1 VAL A 27 -0.680 15.813 18.683 1.00 36.91 C ATOM 428 CG2 VAL A 27 1.566 15.115 17.829 1.00 26.17 C ATOM 429 HA VAL A 27 1.698 17.454 18.994 1.00 0.00 H ATOM 430 HB VAL A 27 0.760 14.671 19.751 1.00 0.00 H ATOM 431 HG11 VAL A 27 -1.246 16.049 19.585 1.00 0.00 H ATOM 432 HG12 VAL A 27 -0.707 16.665 18.003 1.00 0.00 H ATOM 433 HG13 VAL A 27 -1.118 14.943 18.195 1.00 0.00 H ATOM 434 HG21 VAL A 27 1.595 15.951 17.130 1.00 0.00 H ATOM 435 HG22 VAL A 27 2.581 14.856 18.130 1.00 0.00 H ATOM 436 HG23 VAL A 27 1.097 14.256 17.350 1.00 0.00 H ATOM 437 H VAL A 27 2.792 15.357 20.693 1.00 0.00 H ATOM 438 N GLU A 28 0.215 16.784 21.863 1.00 41.99 N ATOM 439 CA GLU A 28 -0.788 17.278 22.797 1.00 45.40 C ATOM 440 C GLU A 28 -0.382 18.595 23.456 1.00 43.54 C ATOM 441 O GLU A 28 -1.232 19.315 23.977 1.00 60.09 O ATOM 442 CB GLU A 28 -1.118 16.217 23.854 1.00 62.15 C ATOM 443 CG GLU A 28 -1.868 15.010 23.302 1.00 53.28 C ATOM 444 CD GLU A 28 -2.336 14.054 24.389 1.00 62.30 C ATOM 445 OE1 GLU A 28 -1.786 14.103 25.510 1.00 46.64 O ATOM 446 OE2 GLU A 28 -3.259 13.252 24.122 1.00 44.92 O ATOM 447 HA GLU A 28 -1.686 17.483 22.214 1.00 0.00 H ATOM 448 HB2 GLU A 28 -0.184 15.869 24.295 1.00 0.00 H ATOM 449 HB3 GLU A 28 -1.733 16.680 24.626 1.00 0.00 H ATOM 450 HG2 GLU A 28 -2.740 15.364 22.751 1.00 0.00 H ATOM 451 HG3 GLU A 28 -1.207 14.470 22.625 1.00 0.00 H ATOM 452 H GLU A 28 0.801 15.965 22.124 1.00 0.00 H ATOM 453 N GLU A 29 0.907 18.919 23.424 1.00 38.31 N ATOM 454 CA GLU A 29 1.378 20.145 24.061 1.00 44.97 C ATOM 455 C GLU A 29 1.768 21.230 23.059 1.00 41.14 C ATOM 456 O GLU A 29 1.889 22.397 23.425 1.00 35.06 O ATOM 457 CB GLU A 29 2.544 19.860 25.015 1.00 55.86 C ATOM 458 CG GLU A 29 3.914 19.830 24.356 1.00 57.10 C ATOM 459 CD GLU A 29 5.035 19.599 25.356 1.00 71.96 C ATOM 460 OE1 GLU A 29 6.214 19.580 24.941 1.00 61.49 O ATOM 461 OE2 GLU A 29 4.737 19.437 26.558 1.00 64.14 O ATOM 462 HA GLU A 29 0.534 20.529 24.634 1.00 0.00 H ATOM 463 HB2 GLU A 29 2.553 20.635 25.781 1.00 0.00 H ATOM 464 HB3 GLU A 29 2.371 18.891 25.482 1.00 0.00 H ATOM 465 HG2 GLU A 29 3.931 19.026 23.620 1.00 0.00 H ATOM 466 HG3 GLU A 29 4.083 20.783 23.855 1.00 0.00 H ATOM 467 H GLU A 29 1.585 18.295 22.942 1.00 0.00 H ATOM 468 N LYS A 30 1.952 20.846 21.798 1.00 42.00 N ATOM 469 CA LYS A 30 2.374 21.797 20.769 1.00 42.59 C ATOM 470 C LYS A 30 1.446 21.807 19.553 1.00 34.68 C ATOM 471 O LYS A 30 1.552 22.677 18.687 1.00 36.99 O ATOM 472 CB LYS A 30 3.818 21.519 20.349 1.00 45.16 C ATOM 473 CG LYS A 30 4.812 21.683 21.487 1.00 53.76 C ATOM 474 CD LYS A 30 6.163 21.082 21.149 1.00 60.35 C ATOM 475 CE LYS A 30 7.122 21.211 22.323 1.00 65.98 C ATOM 476 NZ LYS A 30 8.422 20.534 22.057 1.00 72.94 N ATOM 477 HA LYS A 30 2.315 22.792 21.211 1.00 0.00 H ATOM 478 HB2 LYS A 30 3.881 20.496 19.978 1.00 0.00 H ATOM 479 HB3 LYS A 30 4.087 22.211 19.551 1.00 0.00 H ATOM 480 HG2 LYS A 30 4.940 22.746 21.693 1.00 0.00 H ATOM 481 HG3 LYS A 30 4.417 21.187 22.374 1.00 0.00 H ATOM 482 HD2 LYS A 30 6.034 20.027 20.907 1.00 0.00 H ATOM 483 HD3 LYS A 30 6.581 21.603 20.287 1.00 0.00 H ATOM 484 HE2 LYS A 30 6.664 20.761 23.204 1.00 0.00 H ATOM 485 HE3 LYS A 30 7.307 22.268 22.512 1.00 0.00 H ATOM 486 HZ1 LYS A 30 8.255 19.522 21.882 1.00 0.00 H ATOM 487 HZ2 LYS A 30 8.870 20.962 21.222 1.00 0.00 H ATOM 488 HZ3 LYS A 30 9.045 20.646 22.882 1.00 0.00 H ATOM 489 H LYS A 30 1.793 19.851 21.539 1.00 0.00 H ATOM 490 N ALA A 31 0.540 20.836 19.498 1.00 31.65 N ATOM 491 CA ALA A 31 -0.512 20.789 18.479 1.00 34.89 C ATOM 492 C ALA A 31 -0.075 21.152 17.056 1.00 48.83 C ATOM 493 O ALA A 31 -0.341 22.254 16.575 1.00 55.14 O ATOM 494 CB ALA A 31 -1.691 21.652 18.899 1.00 34.30 C ATOM 495 HA ALA A 31 -0.798 19.739 18.425 1.00 0.00 H ATOM 496 HB1 ALA A 31 -2.092 21.283 19.843 1.00 0.00 H ATOM 497 HB2 ALA A 31 -1.359 22.683 19.022 1.00 0.00 H ATOM 498 HB3 ALA A 31 -2.464 21.607 18.132 1.00 0.00 H ATOM 499 H ALA A 31 0.579 20.077 20.208 1.00 0.00 H ATOM 500 N PHE A 32 0.583 20.214 16.387 1.00 43.80 N ATOM 501 CA PHE A 32 0.919 20.350 14.969 1.00 36.33 C ATOM 502 C PHE A 32 1.594 21.663 14.569 1.00 33.29 C ATOM 503 O PHE A 32 1.399 22.158 13.460 1.00 36.09 O ATOM 504 CB PHE A 32 -0.312 20.086 14.094 1.00 29.58 C ATOM 505 CG PHE A 32 -0.935 18.745 14.337 1.00 33.64 C ATOM 506 CD1 PHE A 32 -0.281 17.585 13.954 1.00 29.41 C ATOM 507 CD2 PHE A 32 -2.166 18.639 14.962 1.00 39.58 C ATOM 508 CE1 PHE A 32 -0.845 16.346 14.183 1.00 40.29 C ATOM 509 CE2 PHE A 32 -2.735 17.400 15.194 1.00 39.82 C ATOM 510 CZ PHE A 32 -2.074 16.253 14.804 1.00 37.72 C ATOM 511 HA PHE A 32 1.678 19.588 14.794 1.00 0.00 H ATOM 512 HB2 PHE A 32 -1.055 20.856 14.301 1.00 0.00 H ATOM 513 HB3 PHE A 32 -0.012 20.144 13.048 1.00 0.00 H ATOM 514 HD2 PHE A 32 -2.692 19.541 15.274 1.00 0.00 H ATOM 515 HE2 PHE A 32 -3.706 17.329 15.685 1.00 0.00 H ATOM 516 HZ PHE A 32 -2.522 15.276 14.986 1.00 0.00 H ATOM 517 HE1 PHE A 32 -0.320 15.442 13.874 1.00 0.00 H ATOM 518 HD1 PHE A 32 0.691 17.652 13.466 1.00 0.00 H ATOM 519 H PHE A 32 0.871 19.350 16.889 1.00 0.00 H ATOM 520 N SER A 33 2.396 22.220 15.467 1.00 36.57 N ATOM 521 CA SER A 33 3.306 23.285 15.079 1.00 30.70 C ATOM 522 C SER A 33 4.451 22.621 14.321 1.00 26.80 C ATOM 523 O SER A 33 4.581 21.399 14.352 1.00 31.12 O ATOM 524 CB SER A 33 3.829 24.022 16.310 1.00 51.58 C ATOM 525 OG SER A 33 4.595 23.157 17.127 1.00 39.18 O ATOM 526 HA SER A 33 2.802 24.025 14.457 1.00 0.00 H ATOM 527 HB2 SER A 33 2.984 24.402 16.885 1.00 0.00 H ATOM 528 HB3 SER A 33 4.453 24.856 15.989 1.00 0.00 H ATOM 529 HG SER A 33 4.923 23.655 17.917 1.00 0.00 H ATOM 530 H SER A 33 2.374 21.893 16.454 1.00 0.00 H ATOM 531 N PRO A 34 5.277 23.414 13.625 1.00 30.45 N ATOM 532 CA PRO A 34 6.376 22.830 12.844 1.00 28.98 C ATOM 533 C PRO A 34 7.282 21.895 13.649 1.00 33.49 C ATOM 534 O PRO A 34 7.889 21.000 13.061 1.00 27.26 O ATOM 535 CB PRO A 34 7.157 24.058 12.376 1.00 29.71 C ATOM 536 CG PRO A 34 6.123 25.128 12.285 1.00 32.21 C ATOM 537 CD PRO A 34 5.161 24.868 13.414 1.00 33.31 C ATOM 538 HA PRO A 34 5.996 22.199 12.040 1.00 0.00 H ATOM 539 HD3 PRO A 34 5.451 25.418 14.309 1.00 0.00 H ATOM 540 HD2 PRO A 34 4.144 25.143 13.133 1.00 0.00 H ATOM 541 HG3 PRO A 34 5.606 25.076 11.327 1.00 0.00 H ATOM 542 HG2 PRO A 34 6.582 26.110 12.396 1.00 0.00 H ATOM 543 HB2 PRO A 34 7.929 24.325 13.098 1.00 0.00 H ATOM 544 HB3 PRO A 34 7.616 23.879 11.404 1.00 0.00 H ATOM 545 N GLU A 35 7.360 22.093 14.964 1.00 31.40 N ATOM 546 CA GLU A 35 8.219 21.282 15.828 1.00 28.17 C ATOM 547 C GLU A 35 7.906 19.788 15.763 1.00 33.37 C ATOM 548 O GLU A 35 8.780 18.956 15.998 1.00 30.58 O ATOM 549 CB GLU A 35 8.110 21.742 17.285 1.00 37.97 C ATOM 550 CG GLU A 35 8.399 23.215 17.514 1.00 54.73 C ATOM 551 CD GLU A 35 8.191 23.625 18.961 1.00 62.58 C ATOM 552 OE1 GLU A 35 8.382 22.774 19.857 1.00 50.56 O ATOM 553 OE2 GLU A 35 7.828 24.795 19.203 1.00 66.23 O ATOM 554 HA GLU A 35 9.233 21.427 15.454 1.00 0.00 H ATOM 555 HB2 GLU A 35 7.096 21.538 17.630 1.00 0.00 H ATOM 556 HB3 GLU A 35 8.818 21.162 17.877 1.00 0.00 H ATOM 557 HG2 GLU A 35 9.434 23.417 17.238 1.00 0.00 H ATOM 558 HG3 GLU A 35 7.734 23.805 16.883 1.00 0.00 H ATOM 559 H GLU A 35 6.790 22.851 15.392 1.00 0.00 H ATOM 560 N VAL A 36 6.658 19.447 15.463 1.00 27.30 N ATOM 561 CA VAL A 36 6.247 18.045 15.489 1.00 24.03 C ATOM 562 C VAL A 36 6.964 17.194 14.447 1.00 27.99 C ATOM 563 O VAL A 36 7.091 15.983 14.615 1.00 26.89 O ATOM 564 CB VAL A 36 4.724 17.881 15.311 1.00 27.24 C ATOM 565 CG1 VAL A 36 3.982 18.604 16.429 1.00 28.22 C ATOM 566 CG2 VAL A 36 4.291 18.388 13.949 1.00 33.74 C ATOM 567 HA VAL A 36 6.533 17.688 16.478 1.00 0.00 H ATOM 568 HB VAL A 36 4.475 16.821 15.368 1.00 0.00 H ATOM 569 HG11 VAL A 36 4.277 18.183 17.390 1.00 0.00 H ATOM 570 HG12 VAL A 36 4.233 19.664 16.403 1.00 0.00 H ATOM 571 HG13 VAL A 36 2.908 18.480 16.290 1.00 0.00 H ATOM 572 HG21 VAL A 36 4.547 19.443 13.857 1.00 0.00 H ATOM 573 HG22 VAL A 36 4.802 17.820 13.172 1.00 0.00 H ATOM 574 HG23 VAL A 36 3.213 18.264 13.842 1.00 0.00 H ATOM 575 H VAL A 36 5.969 20.183 15.208 1.00 0.00 H ATOM 576 N ILE A 37 7.434 17.822 13.374 1.00 22.98 N ATOM 577 CA ILE A 37 8.073 17.073 12.292 1.00 22.41 C ATOM 578 C ILE A 37 9.468 16.564 12.670 1.00 25.16 C ATOM 579 O ILE A 37 9.727 15.358 12.605 1.00 23.03 O ATOM 580 CB ILE A 37 8.104 17.873 10.969 1.00 30.11 C ATOM 581 CG1 ILE A 37 6.677 18.242 10.548 1.00 28.87 C ATOM 582 CG2 ILE A 37 8.790 17.067 9.876 1.00 30.32 C ATOM 583 CD1 ILE A 37 6.601 19.155 9.349 1.00 38.80 C ATOM 584 HA ILE A 37 7.450 16.194 12.127 1.00 0.00 H ATOM 585 HB ILE A 37 8.673 18.790 11.125 1.00 0.00 H ATOM 586 HG12 ILE A 37 6.142 17.322 10.312 1.00 0.00 H ATOM 587 HG13 ILE A 37 6.191 18.739 11.387 1.00 0.00 H ATOM 588 HD11 ILE A 37 7.120 20.087 9.570 1.00 0.00 H ATOM 589 HD12 ILE A 37 7.071 18.670 8.494 1.00 0.00 H ATOM 590 HD13 ILE A 37 5.556 19.365 9.120 1.00 0.00 H ATOM 591 HG21 ILE A 37 9.813 16.843 10.179 1.00 0.00 H ATOM 592 HG22 ILE A 37 8.245 16.137 9.716 1.00 0.00 H ATOM 593 HG23 ILE A 37 8.802 17.646 8.953 1.00 0.00 H ATOM 594 H ILE A 37 7.347 18.856 13.303 1.00 0.00 H ATOM 595 N PRO A 38 10.373 17.470 13.078 1.00 23.19 N ATOM 596 CA PRO A 38 11.687 16.976 13.504 1.00 24.64 C ATOM 597 C PRO A 38 11.565 16.001 14.671 1.00 22.69 C ATOM 598 O PRO A 38 12.371 15.079 14.778 1.00 23.30 O ATOM 599 CB PRO A 38 12.415 18.246 13.952 1.00 25.61 C ATOM 600 CG PRO A 38 11.741 19.347 13.215 1.00 29.75 C ATOM 601 CD PRO A 38 10.303 18.941 13.102 1.00 30.71 C ATOM 602 HA PRO A 38 12.203 16.432 12.713 1.00 0.00 H ATOM 603 HD3 PRO A 38 9.728 19.292 13.959 1.00 0.00 H ATOM 604 HD2 PRO A 38 9.858 19.327 12.185 1.00 0.00 H ATOM 605 HG3 PRO A 38 12.181 19.467 12.225 1.00 0.00 H ATOM 606 HG2 PRO A 38 11.829 20.283 13.766 1.00 0.00 H ATOM 607 HB2 PRO A 38 12.316 18.387 15.028 1.00 0.00 H ATOM 608 HB3 PRO A 38 13.472 18.197 13.689 1.00 0.00 H ATOM 609 N MET A 39 10.573 16.204 15.534 1.00 23.29 N ATOM 610 CA MET A 39 10.365 15.300 16.659 1.00 24.36 C ATOM 611 C MET A 39 9.923 13.935 16.156 1.00 22.31 C ATOM 612 O MET A 39 10.406 12.903 16.622 1.00 22.68 O ATOM 613 CB MET A 39 9.330 15.856 17.636 1.00 25.45 C ATOM 614 CG MET A 39 9.003 14.914 18.789 1.00 26.96 C ATOM 615 SD MET A 39 10.353 14.703 19.974 1.00 28.49 S ATOM 616 CE MET A 39 10.333 16.307 20.771 1.00 30.63 C ATOM 617 HA MET A 39 11.312 15.201 17.190 1.00 0.00 H ATOM 618 HB2 MET A 39 9.715 16.787 18.051 1.00 0.00 H ATOM 619 HB3 MET A 39 8.411 16.058 17.086 1.00 0.00 H ATOM 620 HG2 MET A 39 8.755 13.937 18.374 1.00 0.00 H ATOM 621 HG3 MET A 39 8.139 15.311 19.321 1.00 0.00 H ATOM 622 HE1 MET A 39 10.516 17.083 20.028 1.00 0.00 H ATOM 623 HE2 MET A 39 9.360 16.469 21.235 1.00 0.00 H ATOM 624 HE3 MET A 39 11.111 16.342 21.534 1.00 0.00 H ATOM 625 H MET A 39 9.938 17.017 15.405 1.00 0.00 H ATOM 626 N PHE A 40 9.003 13.930 15.199 1.00 20.54 N ATOM 627 CA PHE A 40 8.550 12.669 14.635 1.00 20.05 C ATOM 628 C PHE A 40 9.729 11.904 14.037 1.00 26.93 C ATOM 629 O PHE A 40 9.863 10.700 14.246 1.00 21.26 O ATOM 630 CB PHE A 40 7.456 12.884 13.590 1.00 20.72 C ATOM 631 CG PHE A 40 6.918 11.607 13.027 1.00 24.43 C ATOM 632 CD1 PHE A 40 5.979 10.868 13.731 1.00 28.25 C ATOM 633 CD2 PHE A 40 7.364 11.132 11.810 1.00 25.09 C ATOM 634 CE1 PHE A 40 5.487 9.686 13.223 1.00 28.90 C ATOM 635 CE2 PHE A 40 6.875 9.948 11.295 1.00 34.43 C ATOM 636 CZ PHE A 40 5.936 9.226 12.003 1.00 24.34 C ATOM 637 HA PHE A 40 8.119 12.075 15.441 1.00 0.00 H ATOM 638 HB2 PHE A 40 6.635 13.431 14.055 1.00 0.00 H ATOM 639 HB3 PHE A 40 7.869 13.476 12.773 1.00 0.00 H ATOM 640 HD2 PHE A 40 8.109 11.697 11.250 1.00 0.00 H ATOM 641 HE2 PHE A 40 7.230 9.584 10.331 1.00 0.00 H ATOM 642 HZ PHE A 40 5.549 8.291 11.598 1.00 0.00 H ATOM 643 HE1 PHE A 40 4.746 9.116 13.783 1.00 0.00 H ATOM 644 HD1 PHE A 40 5.626 11.227 14.698 1.00 0.00 H ATOM 645 H PHE A 40 8.607 14.827 14.853 1.00 0.00 H ATOM 646 N SER A 41 10.594 12.605 13.308 1.00 21.28 N ATOM 647 CA SER A 41 11.776 11.965 12.731 1.00 23.04 C ATOM 648 C SER A 41 12.682 11.376 13.812 1.00 26.05 C ATOM 649 O SER A 41 13.105 10.224 13.727 1.00 27.16 O ATOM 650 CB SER A 41 12.569 12.951 11.874 1.00 23.45 C ATOM 651 OG SER A 41 11.866 13.273 10.690 1.00 27.83 O ATOM 652 HA SER A 41 11.421 11.151 12.099 1.00 0.00 H ATOM 653 HB2 SER A 41 13.527 12.503 11.610 1.00 0.00 H ATOM 654 HB3 SER A 41 12.741 13.863 12.446 1.00 0.00 H ATOM 655 HG SER A 41 11.711 12.448 10.165 1.00 0.00 H ATOM 656 H SER A 41 10.428 13.619 13.147 1.00 0.00 H ATOM 657 N ALA A 42 12.977 12.178 14.826 1.00 22.64 N ATOM 658 CA ALA A 42 13.862 11.752 15.906 1.00 22.19 C ATOM 659 C ALA A 42 13.337 10.515 16.631 1.00 23.33 C ATOM 660 O ALA A 42 14.115 9.666 17.065 1.00 28.66 O ATOM 661 CB ALA A 42 14.064 12.888 16.887 1.00 20.64 C ATOM 662 HA ALA A 42 14.818 11.481 15.458 1.00 0.00 H ATOM 663 HB1 ALA A 42 14.510 13.738 16.370 1.00 0.00 H ATOM 664 HB2 ALA A 42 13.101 13.181 17.305 1.00 0.00 H ATOM 665 HB3 ALA A 42 14.726 12.561 17.689 1.00 0.00 H ATOM 666 H ALA A 42 12.568 13.134 14.853 1.00 0.00 H ATOM 667 N LEU A 43 12.017 10.410 16.746 1.00 22.13 N ATOM 668 CA LEU A 43 11.402 9.346 17.537 1.00 16.57 C ATOM 669 C LEU A 43 11.140 8.076 16.730 1.00 27.15 C ATOM 670 O LEU A 43 10.808 7.037 17.297 1.00 28.29 O ATOM 671 CB LEU A 43 10.091 9.836 18.158 1.00 19.74 C ATOM 672 CG LEU A 43 10.196 10.968 19.183 1.00 22.45 C ATOM 673 CD1 LEU A 43 8.807 11.399 19.633 1.00 27.64 C ATOM 674 CD2 LEU A 43 11.046 10.549 20.373 1.00 26.80 C ATOM 675 HA LEU A 43 12.117 9.091 18.319 1.00 0.00 H ATOM 676 HB2 LEU A 43 9.451 10.183 17.347 1.00 0.00 H ATOM 677 HB3 LEU A 43 9.621 8.985 18.652 1.00 0.00 H ATOM 678 HG LEU A 43 10.686 11.818 18.709 1.00 0.00 H ATOM 679 HD21 LEU A 43 10.593 9.682 20.854 1.00 0.00 H ATOM 680 HD22 LEU A 43 12.048 10.293 20.030 1.00 0.00 H ATOM 681 HD23 LEU A 43 11.103 11.372 21.085 1.00 0.00 H ATOM 682 HD11 LEU A 43 8.239 11.749 18.771 1.00 0.00 H ATOM 683 HD12 LEU A 43 8.294 10.551 20.088 1.00 0.00 H ATOM 684 HD13 LEU A 43 8.896 12.205 20.362 1.00 0.00 H ATOM 685 H LEU A 43 11.408 11.101 16.262 1.00 0.00 H ATOM 686 N SER A 44 11.296 8.156 15.414 1.00 28.43 N ATOM 687 CA SER A 44 10.940 7.037 14.545 1.00 24.07 C ATOM 688 C SER A 44 12.154 6.329 13.943 1.00 24.39 C ATOM 689 O SER A 44 12.036 5.616 12.949 1.00 22.96 O ATOM 690 CB SER A 44 9.999 7.510 13.436 1.00 22.93 C ATOM 691 OG SER A 44 10.581 8.566 12.697 1.00 25.71 O ATOM 692 HA SER A 44 10.434 6.304 15.173 1.00 0.00 H ATOM 693 HB2 SER A 44 9.067 7.857 13.882 1.00 0.00 H ATOM 694 HB3 SER A 44 9.791 6.677 12.765 1.00 0.00 H ATOM 695 HG SER A 44 10.768 9.327 13.302 1.00 0.00 H ATOM 696 H SER A 44 11.677 9.028 14.995 1.00 0.00 H ATOM 697 N GLU A 45 13.320 6.520 14.552 1.00 29.91 N ATOM 698 CA GLU A 45 14.545 5.887 14.072 1.00 27.08 C ATOM 699 C GLU A 45 14.421 4.359 14.025 1.00 20.53 C ATOM 700 O GLU A 45 14.111 3.724 15.031 1.00 24.85 O ATOM 701 CB GLU A 45 15.726 6.305 14.948 1.00 37.67 C ATOM 702 CG GLU A 45 17.078 5.818 14.467 1.00 31.92 C ATOM 703 CD GLU A 45 18.222 6.401 15.279 1.00 71.35 C ATOM 704 OE1 GLU A 45 17.989 7.379 16.023 1.00 58.33 O ATOM 705 OE2 GLU A 45 19.353 5.879 15.177 1.00 74.12 O ATOM 706 HA GLU A 45 14.718 6.226 13.051 1.00 0.00 H ATOM 707 HB2 GLU A 45 15.751 7.394 14.986 1.00 0.00 H ATOM 708 HB3 GLU A 45 15.561 5.911 15.951 1.00 0.00 H ATOM 709 HG2 GLU A 45 17.109 4.731 14.547 1.00 0.00 H ATOM 710 HG3 GLU A 45 17.205 6.108 13.424 1.00 0.00 H ATOM 711 H GLU A 45 13.361 7.135 15.390 1.00 0.00 H ATOM 712 N GLY A 46 14.644 3.783 12.845 1.00 23.41 N ATOM 713 CA GLY A 46 14.613 2.340 12.662 1.00 24.55 C ATOM 714 C GLY A 46 13.222 1.730 12.687 1.00 24.18 C ATOM 715 O GLY A 46 13.068 0.510 12.750 1.00 22.12 O ATOM 716 HA3 GLY A 46 15.199 1.883 13.459 1.00 0.00 H ATOM 717 HA2 GLY A 46 15.069 2.109 11.699 1.00 0.00 H ATOM 718 H GLY A 46 14.848 4.387 12.024 1.00 0.00 H ATOM 719 N ALA A 47 12.203 2.578 12.625 1.00 20.72 N ATOM 720 CA ALA A 47 10.821 2.126 12.773 1.00 21.13 C ATOM 721 C ALA A 47 10.328 1.246 11.621 1.00 22.11 C ATOM 722 O ALA A 47 10.661 1.478 10.462 1.00 23.57 O ATOM 723 CB ALA A 47 9.898 3.327 12.943 1.00 23.11 C ATOM 724 HA ALA A 47 10.799 1.499 13.664 1.00 0.00 H ATOM 725 HB1 ALA A 47 10.191 3.886 13.832 1.00 0.00 H ATOM 726 HB2 ALA A 47 9.975 3.970 12.066 1.00 0.00 H ATOM 727 HB3 ALA A 47 8.870 2.981 13.053 1.00 0.00 H ATOM 728 H ALA A 47 12.392 3.588 12.467 1.00 0.00 H ATOM 729 N THR A 48 9.527 0.235 11.948 1.00 20.63 N ATOM 730 CA THR A 48 8.785 -0.510 10.933 1.00 18.75 C ATOM 731 C THR A 48 7.512 0.261 10.634 1.00 16.96 C ATOM 732 O THR A 48 7.113 1.119 11.417 1.00 19.14 O ATOM 733 CB THR A 48 8.344 -1.877 11.466 1.00 16.68 C ATOM 734 OG1 THR A 48 7.451 -1.681 12.571 1.00 19.34 O ATOM 735 CG2 THR A 48 9.543 -2.686 11.917 1.00 19.69 C ATOM 736 HA THR A 48 9.424 -0.640 10.060 1.00 0.00 H ATOM 737 HB THR A 48 7.839 -2.424 10.670 1.00 0.00 H ATOM 738 HG1 THR A 48 7.162 -2.561 12.920 1.00 0.00 H ATOM 739 HG23 THR A 48 10.219 -2.832 11.074 1.00 0.00 H ATOM 740 HG21 THR A 48 10.062 -2.151 12.712 1.00 0.00 H ATOM 741 HG22 THR A 48 9.208 -3.654 12.288 1.00 0.00 H ATOM 742 H THR A 48 9.427 -0.031 12.948 1.00 0.00 H ATOM 743 N PRO A 49 6.856 -0.047 9.506 1.00 19.48 N ATOM 744 CA PRO A 49 5.542 0.557 9.269 1.00 21.56 C ATOM 745 C PRO A 49 4.574 0.289 10.426 1.00 22.80 C ATOM 746 O PRO A 49 3.776 1.162 10.754 1.00 19.79 O ATOM 747 CB PRO A 49 5.073 -0.132 7.986 1.00 18.42 C ATOM 748 CG PRO A 49 6.351 -0.445 7.258 1.00 19.00 C ATOM 749 CD PRO A 49 7.342 -0.800 8.338 1.00 20.91 C ATOM 750 HA PRO A 49 5.586 1.643 9.187 1.00 0.00 H ATOM 751 HD3 PRO A 49 7.338 -1.872 8.535 1.00 0.00 H ATOM 752 HD2 PRO A 49 8.349 -0.487 8.063 1.00 0.00 H ATOM 753 HG3 PRO A 49 6.693 0.423 6.695 1.00 0.00 H ATOM 754 HG2 PRO A 49 6.208 -1.285 6.578 1.00 0.00 H ATOM 755 HB2 PRO A 49 4.522 -1.045 8.214 1.00 0.00 H ATOM 756 HB3 PRO A 49 4.443 0.533 7.396 1.00 0.00 H ATOM 757 N GLN A 50 4.648 -0.888 11.045 1.00 20.70 N ATOM 758 CA GLN A 50 3.809 -1.160 12.212 1.00 20.65 C ATOM 759 C GLN A 50 4.050 -0.148 13.336 1.00 21.60 C ATOM 760 O GLN A 50 3.102 0.383 13.915 1.00 21.73 O ATOM 761 CB GLN A 50 4.029 -2.578 12.733 1.00 21.52 C ATOM 762 CG GLN A 50 3.119 -2.930 13.897 1.00 24.87 C ATOM 763 CD GLN A 50 3.542 -4.201 14.602 1.00 39.51 C ATOM 764 OE1 GLN A 50 4.633 -4.278 15.168 1.00 35.34 O ATOM 765 NE2 GLN A 50 2.681 -5.209 14.567 1.00 37.73 N ATOM 766 HA GLN A 50 2.774 -1.063 11.884 1.00 0.00 H ATOM 767 HB2 GLN A 50 3.842 -3.280 11.920 1.00 0.00 H ATOM 768 HB3 GLN A 50 5.064 -2.671 13.061 1.00 0.00 H ATOM 769 HG2 GLN A 50 3.136 -2.110 14.615 1.00 0.00 H ATOM 770 HG3 GLN A 50 2.104 -3.060 13.521 1.00 0.00 H ATOM 771 HE22 GLN A 50 1.770 -5.098 14.077 1.00 0.00 H ATOM 772 HE21 GLN A 50 2.916 -6.110 15.030 1.00 0.00 H ATOM 773 H GLN A 50 5.304 -1.616 10.698 1.00 0.00 H ATOM 774 N ASP A 51 5.320 0.111 13.641 1.00 19.99 N ATOM 775 CA ASP A 51 5.677 1.095 14.658 1.00 18.13 C ATOM 776 C ASP A 51 5.077 2.452 14.330 1.00 20.70 C ATOM 777 O ASP A 51 4.579 3.154 15.205 1.00 20.56 O ATOM 778 CB ASP A 51 7.193 1.254 14.754 1.00 19.01 C ATOM 779 CG ASP A 51 7.882 0.023 15.285 1.00 23.16 C ATOM 780 OD1 ASP A 51 7.262 -0.729 16.068 1.00 24.52 O ATOM 781 OD2 ASP A 51 9.054 -0.184 14.917 1.00 20.92 O ATOM 782 HA ASP A 51 5.282 0.734 15.608 1.00 0.00 H ATOM 783 HB2 ASP A 51 7.584 1.469 13.759 1.00 0.00 H ATOM 784 HB3 ASP A 51 7.414 2.090 15.418 1.00 0.00 H ATOM 785 H ASP A 51 6.076 -0.400 13.142 1.00 0.00 H ATOM 786 N LEU A 52 5.153 2.830 13.061 1.00 19.45 N ATOM 787 CA LEU A 52 4.681 4.137 12.632 1.00 17.20 C ATOM 788 C LEU A 52 3.171 4.242 12.803 1.00 24.11 C ATOM 789 O LEU A 52 2.649 5.274 13.226 1.00 21.44 O ATOM 790 CB LEU A 52 5.088 4.392 11.180 1.00 19.54 C ATOM 791 CG LEU A 52 6.599 4.518 10.978 1.00 17.39 C ATOM 792 CD1 LEU A 52 6.949 4.476 9.495 1.00 21.76 C ATOM 793 CD2 LEU A 52 7.118 5.792 11.642 1.00 21.99 C ATOM 794 HA LEU A 52 5.143 4.901 13.257 1.00 0.00 H ATOM 795 HB2 LEU A 52 4.727 3.564 10.571 1.00 0.00 H ATOM 796 HB3 LEU A 52 4.618 5.318 10.848 1.00 0.00 H ATOM 797 HG LEU A 52 7.090 3.669 11.454 1.00 0.00 H ATOM 798 HD21 LEU A 52 6.626 6.658 11.199 1.00 0.00 H ATOM 799 HD22 LEU A 52 6.903 5.757 12.710 1.00 0.00 H ATOM 800 HD23 LEU A 52 8.195 5.867 11.489 1.00 0.00 H ATOM 801 HD11 LEU A 52 6.614 3.530 9.071 1.00 0.00 H ATOM 802 HD12 LEU A 52 6.454 5.301 8.983 1.00 0.00 H ATOM 803 HD13 LEU A 52 8.029 4.567 9.375 1.00 0.00 H ATOM 804 H LEU A 52 5.558 2.179 12.359 1.00 0.00 H ATOM 805 N ASN A 53 2.465 3.164 12.487 1.00 20.81 N ATOM 806 CA ASN A 53 1.023 3.144 12.691 1.00 21.00 C ATOM 807 C ASN A 53 0.645 3.231 14.165 1.00 21.05 C ATOM 808 O ASN A 53 -0.334 3.881 14.523 1.00 23.90 O ATOM 809 CB ASN A 53 0.403 1.912 12.039 1.00 25.47 C ATOM 810 CG ASN A 53 0.352 2.030 10.534 1.00 22.62 C ATOM 811 OD1 ASN A 53 0.218 3.129 10.002 1.00 22.82 O ATOM 812 ND2 ASN A 53 0.474 0.904 9.838 1.00 19.87 N ATOM 813 HA ASN A 53 0.618 4.033 12.209 1.00 0.00 H ATOM 814 HB2 ASN A 53 0.998 1.037 12.303 1.00 0.00 H ATOM 815 HB3 ASN A 53 -0.612 1.787 12.417 1.00 0.00 H ATOM 816 HD22 ASN A 53 0.585 -0.004 10.333 1.00 0.00 H ATOM 817 HD21 ASN A 53 0.458 0.931 8.798 1.00 0.00 H ATOM 818 H ASN A 53 2.943 2.329 12.092 1.00 0.00 H ATOM 819 N THR A 54 1.422 2.579 15.020 1.00 22.16 N ATOM 820 CA THR A 54 1.193 2.685 16.457 1.00 23.11 C ATOM 821 C THR A 54 1.342 4.138 16.900 1.00 20.96 C ATOM 822 O THR A 54 0.524 4.650 17.660 1.00 25.22 O ATOM 823 CB THR A 54 2.153 1.787 17.245 1.00 22.74 C ATOM 824 OG1 THR A 54 2.027 0.444 16.771 1.00 25.12 O ATOM 825 CG2 THR A 54 1.834 1.826 18.739 1.00 23.17 C ATOM 826 HA THR A 54 0.178 2.347 16.665 1.00 0.00 H ATOM 827 HB THR A 54 3.171 2.149 17.100 1.00 0.00 H ATOM 828 HG1 THR A 54 2.645 -0.142 17.276 1.00 0.00 H ATOM 829 HG23 THR A 54 1.929 2.849 19.103 1.00 0.00 H ATOM 830 HG21 THR A 54 0.815 1.475 18.901 1.00 0.00 H ATOM 831 HG22 THR A 54 2.531 1.182 19.275 1.00 0.00 H ATOM 832 H THR A 54 2.200 1.988 14.663 1.00 0.00 H ATOM 833 N MET A 55 2.381 4.804 16.407 1.00 20.72 N ATOM 834 CA MET A 55 2.588 6.211 16.725 1.00 23.39 C ATOM 835 C MET A 55 1.392 7.049 16.286 1.00 24.06 C ATOM 836 O MET A 55 0.870 7.855 17.057 1.00 24.22 O ATOM 837 CB MET A 55 3.859 6.739 16.058 1.00 20.07 C ATOM 838 CG MET A 55 5.137 6.130 16.581 1.00 22.78 C ATOM 839 SD MET A 55 6.582 6.777 15.718 1.00 25.60 S ATOM 840 CE MET A 55 6.654 8.449 16.366 1.00 26.31 C ATOM 841 HA MET A 55 2.697 6.292 17.806 1.00 0.00 H ATOM 842 HB2 MET A 55 3.795 6.532 14.990 1.00 0.00 H ATOM 843 HB3 MET A 55 3.905 7.816 16.216 1.00 0.00 H ATOM 844 HG2 MET A 55 5.097 5.049 16.443 1.00 0.00 H ATOM 845 HG3 MET A 55 5.228 6.356 17.643 1.00 0.00 H ATOM 846 HE1 MET A 55 5.730 8.973 16.120 1.00 0.00 H ATOM 847 HE2 MET A 55 6.775 8.413 17.449 1.00 0.00 H ATOM 848 HE3 MET A 55 7.500 8.973 15.922 1.00 0.00 H ATOM 849 H MET A 55 3.056 4.314 15.786 1.00 0.00 H ATOM 850 N LEU A 56 0.968 6.860 15.042 1.00 26.44 N ATOM 851 CA LEU A 56 -0.143 7.630 14.498 1.00 21.78 C ATOM 852 C LEU A 56 -1.459 7.330 15.219 1.00 28.14 C ATOM 853 O LEU A 56 -2.280 8.225 15.413 1.00 28.07 O ATOM 854 CB LEU A 56 -0.276 7.409 12.989 1.00 26.56 C ATOM 855 CG LEU A 56 0.941 7.859 12.165 1.00 28.59 C ATOM 856 CD1 LEU A 56 0.704 7.664 10.677 1.00 30.04 C ATOM 857 CD2 LEU A 56 1.298 9.310 12.471 1.00 27.38 C ATOM 858 HA LEU A 56 0.080 8.683 14.669 1.00 0.00 H ATOM 859 HB2 LEU A 56 -0.430 6.344 12.814 1.00 0.00 H ATOM 860 HB3 LEU A 56 -1.147 7.964 12.640 1.00 0.00 H ATOM 861 HG LEU A 56 1.785 7.232 12.452 1.00 0.00 H ATOM 862 HD21 LEU A 56 0.451 9.951 12.225 1.00 0.00 H ATOM 863 HD22 LEU A 56 1.535 9.409 13.530 1.00 0.00 H ATOM 864 HD23 LEU A 56 2.162 9.604 11.875 1.00 0.00 H ATOM 865 HD11 LEU A 56 0.519 6.609 10.475 1.00 0.00 H ATOM 866 HD12 LEU A 56 -0.161 8.251 10.368 1.00 0.00 H ATOM 867 HD13 LEU A 56 1.584 7.992 10.124 1.00 0.00 H ATOM 868 H LEU A 56 1.437 6.149 14.445 1.00 0.00 H ATOM 869 N ASN A 57 -1.654 6.082 15.633 1.00 25.11 N ATOM 870 CA ASN A 57 -2.863 5.721 16.374 1.00 25.64 C ATOM 871 C ASN A 57 -3.010 6.484 17.693 1.00 34.82 C ATOM 872 O ASN A 57 -4.118 6.863 18.078 1.00 33.08 O ATOM 873 CB ASN A 57 -2.915 4.215 16.649 1.00 23.43 C ATOM 874 CG ASN A 57 -3.118 3.395 15.391 1.00 39.31 C ATOM 875 OD1 ASN A 57 -3.624 3.891 14.382 1.00 36.97 O ATOM 876 ND2 ASN A 57 -2.727 2.128 15.446 1.00 28.86 N ATOM 877 HA ASN A 57 -3.697 6.006 15.733 1.00 0.00 H ATOM 878 HB2 ASN A 57 -1.977 3.913 17.114 1.00 0.00 H ATOM 879 HB3 ASN A 57 -3.739 4.014 17.333 1.00 0.00 H ATOM 880 HD22 ASN A 57 -2.305 1.752 16.319 1.00 0.00 H ATOM 881 HD21 ASN A 57 -2.843 1.512 14.616 1.00 0.00 H ATOM 882 H ASN A 57 -0.940 5.354 15.428 1.00 0.00 H ATOM 883 N THR A 58 -1.894 6.708 18.382 1.00 33.20 N ATOM 884 CA THR A 58 -1.923 7.354 19.695 1.00 28.65 C ATOM 885 C THR A 58 -2.423 8.796 19.627 1.00 37.17 C ATOM 886 O THR A 58 -2.750 9.395 20.653 1.00 36.07 O ATOM 887 CB THR A 58 -0.538 7.347 20.381 1.00 31.10 C ATOM 888 OG1 THR A 58 0.356 8.223 19.681 1.00 36.88 O ATOM 889 CG2 THR A 58 0.042 5.946 20.424 1.00 30.44 C ATOM 890 HA THR A 58 -2.622 6.763 20.286 1.00 0.00 H ATOM 891 HB THR A 58 -0.662 7.697 21.406 1.00 0.00 H ATOM 892 HG1 THR A 58 0.452 7.915 18.745 1.00 0.00 H ATOM 893 HG23 THR A 58 -0.643 5.287 20.957 1.00 0.00 H ATOM 894 HG21 THR A 58 0.182 5.581 19.407 1.00 0.00 H ATOM 895 HG22 THR A 58 1.002 5.967 20.939 1.00 0.00 H ATOM 896 H THR A 58 -0.981 6.418 17.978 1.00 0.00 H ATOM 897 N VAL A 59 -2.471 9.355 18.421 1.00 34.77 N ATOM 898 CA VAL A 59 -2.967 10.716 18.238 1.00 31.93 C ATOM 899 C VAL A 59 -4.183 10.746 17.314 1.00 31.89 C ATOM 900 O VAL A 59 -4.415 11.724 16.603 1.00 36.99 O ATOM 901 CB VAL A 59 -1.873 11.663 17.690 1.00 35.84 C ATOM 902 CG1 VAL A 59 -0.709 11.746 18.662 1.00 28.48 C ATOM 903 CG2 VAL A 59 -1.397 11.201 16.317 1.00 33.89 C ATOM 904 HA VAL A 59 -3.264 11.072 19.225 1.00 0.00 H ATOM 905 HB VAL A 59 -2.303 12.659 17.581 1.00 0.00 H ATOM 906 HG11 VAL A 59 -1.063 12.128 19.619 1.00 0.00 H ATOM 907 HG12 VAL A 59 -0.282 10.753 18.801 1.00 0.00 H ATOM 908 HG13 VAL A 59 0.051 12.416 18.260 1.00 0.00 H ATOM 909 HG21 VAL A 59 -0.985 10.195 16.396 1.00 0.00 H ATOM 910 HG22 VAL A 59 -2.239 11.197 15.625 1.00 0.00 H ATOM 911 HG23 VAL A 59 -0.628 11.882 15.952 1.00 0.00 H ATOM 912 H VAL A 59 -2.150 8.813 17.594 1.00 0.00 H ATOM 913 N GLY A 60 -4.960 9.668 17.336 1.00 28.36 N ATOM 914 CA GLY A 60 -6.152 9.565 16.513 1.00 29.55 C ATOM 915 C GLY A 60 -7.246 10.534 16.923 1.00 43.99 C ATOM 916 O GLY A 60 -8.223 10.716 16.198 1.00 41.53 O ATOM 917 HA3 GLY A 60 -6.541 8.550 16.591 1.00 0.00 H ATOM 918 HA2 GLY A 60 -5.878 9.769 15.478 1.00 0.00 H ATOM 919 H GLY A 60 -4.707 8.876 17.960 1.00 0.00 H ATOM 920 N GLY A 61 -7.078 11.158 18.087 1.00 40.12 N ATOM 921 CA GLY A 61 -8.042 12.117 18.598 1.00 34.68 C ATOM 922 C GLY A 61 -8.198 13.333 17.705 1.00 47.87 C ATOM 923 O GLY A 61 -9.274 13.925 17.630 1.00 41.57 O ATOM 924 HA3 GLY A 61 -7.714 12.449 19.583 1.00 0.00 H ATOM 925 HA2 GLY A 61 -9.010 11.624 18.686 1.00 0.00 H ATOM 926 H GLY A 61 -6.228 10.952 18.649 1.00 0.00 H ATOM 927 N HIS A 62 -7.116 13.712 17.034 1.00 30.44 N ATOM 928 CA HIS A 62 -7.151 14.817 16.087 1.00 34.47 C ATOM 929 C HIS A 62 -7.658 14.297 14.745 1.00 32.93 C ATOM 930 O HIS A 62 -6.874 13.992 13.845 1.00 28.33 O ATOM 931 CB HIS A 62 -5.761 15.441 15.950 1.00 35.25 C ATOM 932 CG HIS A 62 -5.166 15.875 17.254 1.00 35.07 C ATOM 933 ND1 HIS A 62 -4.651 14.984 18.171 1.00 43.64 N ATOM 934 CD2 HIS A 62 -5.016 17.105 17.801 1.00 32.22 C ATOM 935 CE1 HIS A 62 -4.203 15.646 19.222 1.00 31.82 C ATOM 936 NE2 HIS A 62 -4.412 16.935 19.023 1.00 36.41 N ATOM 937 HA HIS A 62 -7.826 15.595 16.445 1.00 0.00 H ATOM 938 HB2 HIS A 62 -5.097 14.706 15.496 1.00 0.00 H ATOM 939 HB3 HIS A 62 -5.837 16.312 15.299 1.00 0.00 H ATOM 940 HD2 HIS A 62 -5.318 18.053 17.355 1.00 0.00 H ATOM 941 HE1 HIS A 62 -3.739 15.204 20.104 1.00 0.00 H ATOM 942 H HIS A 62 -6.221 13.206 17.189 1.00 0.00 H ATOM 943 N GLN A 63 -8.977 14.189 14.625 1.00 27.87 N ATOM 944 CA GLN A 63 -9.594 13.500 13.496 1.00 28.71 C ATOM 945 C GLN A 63 -9.305 14.150 12.148 1.00 23.51 C ATOM 946 O GLN A 63 -9.034 13.459 11.171 1.00 25.58 O ATOM 947 CB GLN A 63 -11.105 13.370 13.698 1.00 28.56 C ATOM 948 CG GLN A 63 -11.507 12.484 14.864 1.00 32.10 C ATOM 949 CD GLN A 63 -13.010 12.443 15.060 1.00 40.63 C ATOM 950 OE1 GLN A 63 -13.725 13.351 14.638 1.00 40.89 O ATOM 951 NE2 GLN A 63 -13.497 11.385 15.697 1.00 54.08 N ATOM 952 HA GLN A 63 -9.138 12.510 13.470 1.00 0.00 H ATOM 953 HB2 GLN A 63 -11.513 14.366 13.869 1.00 0.00 H ATOM 954 HB3 GLN A 63 -11.537 12.953 12.788 1.00 0.00 H ATOM 955 HG2 GLN A 63 -11.149 11.472 14.676 1.00 0.00 H ATOM 956 HG3 GLN A 63 -11.044 12.868 15.773 1.00 0.00 H ATOM 957 HE22 GLN A 63 -12.854 10.641 16.036 1.00 0.00 H ATOM 958 HE21 GLN A 63 -14.521 11.300 15.857 1.00 0.00 H ATOM 959 H GLN A 63 -9.587 14.607 15.356 1.00 0.00 H ATOM 960 N ALA A 64 -9.375 15.475 12.085 1.00 20.40 N ATOM 961 CA ALA A 64 -9.167 16.151 10.809 1.00 22.65 C ATOM 962 C ALA A 64 -7.732 15.954 10.324 1.00 22.66 C ATOM 963 O ALA A 64 -7.491 15.691 9.143 1.00 26.52 O ATOM 964 CB ALA A 64 -9.495 17.628 10.924 1.00 23.49 C ATOM 965 HA ALA A 64 -9.841 15.709 10.075 1.00 0.00 H ATOM 966 HB1 ALA A 64 -10.538 17.745 11.219 1.00 0.00 H ATOM 967 HB2 ALA A 64 -8.850 18.085 11.674 1.00 0.00 H ATOM 968 HB3 ALA A 64 -9.332 18.111 9.961 1.00 0.00 H ATOM 969 H ALA A 64 -9.577 16.028 12.942 1.00 0.00 H ATOM 970 N ALA A 65 -6.783 16.092 11.243 1.00 26.09 N ATOM 971 CA ALA A 65 -5.375 15.909 10.919 1.00 26.73 C ATOM 972 C ALA A 65 -5.117 14.470 10.495 1.00 27.83 C ATOM 973 O ALA A 65 -4.399 14.218 9.526 1.00 27.41 O ATOM 974 CB ALA A 65 -4.502 16.279 12.110 1.00 25.94 C ATOM 975 HA ALA A 65 -5.119 16.568 10.089 1.00 0.00 H ATOM 976 HB1 ALA A 65 -4.673 17.323 12.374 1.00 0.00 H ATOM 977 HB2 ALA A 65 -4.757 15.642 12.957 1.00 0.00 H ATOM 978 HB3 ALA A 65 -3.454 16.136 11.849 1.00 0.00 H ATOM 979 H ALA A 65 -7.052 16.337 12.217 1.00 0.00 H ATOM 980 N MET A 66 -5.712 13.524 11.216 1.00 23.23 N ATOM 981 CA MET A 66 -5.507 12.112 10.912 1.00 27.63 C ATOM 982 C MET A 66 -6.074 11.718 9.553 1.00 28.51 C ATOM 983 O MET A 66 -5.511 10.868 8.863 1.00 26.45 O ATOM 984 CB MET A 66 -6.083 11.222 12.015 1.00 30.38 C ATOM 985 CG MET A 66 -5.267 11.228 13.298 1.00 33.69 C ATOM 986 SD MET A 66 -3.520 10.855 13.028 1.00 40.00 S ATOM 987 CE MET A 66 -2.805 12.497 13.046 1.00 31.26 C ATOM 988 HA MET A 66 -4.429 11.957 10.866 1.00 0.00 H ATOM 989 HB2 MET A 66 -7.090 11.569 12.246 1.00 0.00 H ATOM 990 HB3 MET A 66 -6.130 10.199 11.642 1.00 0.00 H ATOM 991 HG2 MET A 66 -5.681 10.482 13.976 1.00 0.00 H ATOM 992 HG3 MET A 66 -5.345 12.215 13.755 1.00 0.00 H ATOM 993 HE1 MET A 66 -3.249 13.094 12.249 1.00 0.00 H ATOM 994 HE2 MET A 66 -3.004 12.968 14.009 1.00 0.00 H ATOM 995 HE3 MET A 66 -1.729 12.425 12.891 1.00 0.00 H ATOM 996 H MET A 66 -6.331 13.794 12.007 1.00 0.00 H ATOM 997 N GLN A 67 -7.189 12.328 9.166 1.00 24.52 N ATOM 998 CA GLN A 67 -7.762 12.051 7.855 1.00 25.64 C ATOM 999 C GLN A 67 -6.885 12.630 6.752 1.00 19.95 C ATOM 1000 O GLN A 67 -6.697 11.997 5.713 1.00 23.34 O ATOM 1001 CB GLN A 67 -9.196 12.574 7.748 1.00 28.18 C ATOM 1002 CG GLN A 67 -10.201 11.742 8.524 1.00 38.33 C ATOM 1003 CD GLN A 67 -10.161 10.270 8.142 1.00 46.10 C ATOM 1004 OE1 GLN A 67 -10.093 9.924 6.961 1.00 37.90 O ATOM 1005 NE2 GLN A 67 -10.197 9.397 9.144 1.00 41.48 N ATOM 1006 HA GLN A 67 -7.800 10.969 7.730 1.00 0.00 H ATOM 1007 HB2 GLN A 67 -9.222 13.594 8.132 1.00 0.00 H ATOM 1008 HB3 GLN A 67 -9.486 12.575 6.697 1.00 0.00 H ATOM 1009 HG2 GLN A 67 -9.982 11.833 9.588 1.00 0.00 H ATOM 1010 HG3 GLN A 67 -11.201 12.127 8.326 1.00 0.00 H ATOM 1011 HE22 GLN A 67 -10.254 9.735 10.126 1.00 0.00 H ATOM 1012 HE21 GLN A 67 -10.168 8.376 8.946 1.00 0.00 H ATOM 1013 H GLN A 67 -7.655 13.006 9.802 1.00 0.00 H ATOM 1014 N MET A 68 -6.341 13.823 6.984 1.00 26.53 N ATOM 1015 CA MET A 68 -5.409 14.423 6.031 1.00 25.16 C ATOM 1016 C MET A 68 -4.207 13.506 5.848 1.00 22.22 C ATOM 1017 O MET A 68 -3.731 13.297 4.729 1.00 22.39 O ATOM 1018 CB MET A 68 -4.953 15.816 6.489 1.00 24.31 C ATOM 1019 CG MET A 68 -3.845 16.421 5.619 1.00 26.93 C ATOM 1020 SD MET A 68 -3.432 18.151 5.989 1.00 29.68 S ATOM 1021 CE MET A 68 -4.788 18.998 5.195 1.00 28.60 C ATOM 1022 HA MET A 68 -5.924 14.544 5.078 1.00 0.00 H ATOM 1023 HB2 MET A 68 -5.813 16.485 6.465 1.00 0.00 H ATOM 1024 HB3 MET A 68 -4.584 15.738 7.512 1.00 0.00 H ATOM 1025 HG2 MET A 68 -4.164 16.365 4.578 1.00 0.00 H ATOM 1026 HG3 MET A 68 -2.944 15.822 5.754 1.00 0.00 H ATOM 1027 HE1 MET A 68 -4.785 18.767 4.130 1.00 0.00 H ATOM 1028 HE2 MET A 68 -5.729 18.670 5.637 1.00 0.00 H ATOM 1029 HE3 MET A 68 -4.675 20.073 5.335 1.00 0.00 H ATOM 1030 H MET A 68 -6.583 14.335 7.856 1.00 0.00 H ATOM 1031 N LEU A 69 -3.728 12.948 6.955 1.00 21.86 N ATOM 1032 CA LEU A 69 -2.593 12.038 6.914 1.00 22.52 C ATOM 1033 C LEU A 69 -2.929 10.789 6.110 1.00 21.95 C ATOM 1034 O LEU A 69 -2.163 10.382 5.233 1.00 21.35 O ATOM 1035 CB LEU A 69 -2.140 11.661 8.330 1.00 26.36 C ATOM 1036 CG LEU A 69 -0.729 12.110 8.719 1.00 32.04 C ATOM 1037 CD1 LEU A 69 -0.392 11.649 10.126 1.00 40.03 C ATOM 1038 CD2 LEU A 69 0.303 11.595 7.717 1.00 22.88 C ATOM 1039 HA LEU A 69 -1.769 12.553 6.419 1.00 0.00 H ATOM 1040 HB2 LEU A 69 -2.840 12.108 9.036 1.00 0.00 H ATOM 1041 HB3 LEU A 69 -2.182 10.575 8.417 1.00 0.00 H ATOM 1042 HG LEU A 69 -0.701 13.199 8.700 1.00 0.00 H ATOM 1043 HD21 LEU A 69 0.275 10.506 7.696 1.00 0.00 H ATOM 1044 HD22 LEU A 69 0.071 11.985 6.726 1.00 0.00 H ATOM 1045 HD23 LEU A 69 1.297 11.928 8.017 1.00 0.00 H ATOM 1046 HD11 LEU A 69 -1.107 12.078 10.828 1.00 0.00 H ATOM 1047 HD12 LEU A 69 -0.443 10.561 10.173 1.00 0.00 H ATOM 1048 HD13 LEU A 69 0.615 11.978 10.383 1.00 0.00 H ATOM 1049 H LEU A 69 -4.173 13.166 7.869 1.00 0.00 H ATOM 1050 N LYS A 70 -4.075 10.180 6.406 1.00 24.14 N ATOM 1051 CA LYS A 70 -4.480 8.963 5.710 1.00 23.12 C ATOM 1052 C LYS A 70 -4.603 9.174 4.202 1.00 22.96 C ATOM 1053 O LYS A 70 -4.229 8.306 3.416 1.00 22.39 O ATOM 1054 CB LYS A 70 -5.790 8.413 6.281 1.00 25.02 C ATOM 1055 CG LYS A 70 -5.644 7.766 7.647 1.00 34.68 C ATOM 1056 CD LYS A 70 -6.977 7.250 8.168 1.00 38.13 C ATOM 1057 CE LYS A 70 -6.854 6.775 9.607 1.00 45.98 C ATOM 1058 NZ LYS A 70 -8.184 6.480 10.209 1.00 54.53 N ATOM 1059 HA LYS A 70 -3.691 8.229 5.874 1.00 0.00 H ATOM 1060 HB2 LYS A 70 -6.500 9.236 6.365 1.00 0.00 H ATOM 1061 HB3 LYS A 70 -6.180 7.668 5.588 1.00 0.00 H ATOM 1062 HG2 LYS A 70 -4.947 6.932 7.571 1.00 0.00 H ATOM 1063 HG3 LYS A 70 -5.251 8.503 8.348 1.00 0.00 H ATOM 1064 HD2 LYS A 70 -7.714 8.052 8.119 1.00 0.00 H ATOM 1065 HD3 LYS A 70 -7.305 6.418 7.545 1.00 0.00 H ATOM 1066 HE2 LYS A 70 -6.365 7.552 10.195 1.00 0.00 H ATOM 1067 HE3 LYS A 70 -6.248 5.869 9.629 1.00 0.00 H ATOM 1068 HZ1 LYS A 70 -8.767 7.341 10.198 1.00 0.00 H ATOM 1069 HZ2 LYS A 70 -8.655 5.734 9.658 1.00 0.00 H ATOM 1070 HZ3 LYS A 70 -8.056 6.159 11.190 1.00 0.00 H ATOM 1071 H LYS A 70 -4.691 10.577 7.144 1.00 0.00 H ATOM 1072 N GLU A 71 -5.127 10.328 3.798 1.00 20.21 N ATOM 1073 CA GLU A 71 -5.304 10.610 2.376 1.00 21.98 C ATOM 1074 C GLU A 71 -3.968 10.849 1.676 1.00 23.45 C ATOM 1075 O GLU A 71 -3.767 10.416 0.540 1.00 23.80 O ATOM 1076 CB GLU A 71 -6.245 11.799 2.168 1.00 20.66 C ATOM 1077 CG GLU A 71 -7.649 11.571 2.715 1.00 27.12 C ATOM 1078 CD GLU A 71 -8.356 10.393 2.064 1.00 28.61 C ATOM 1079 OE1 GLU A 71 -7.835 9.851 1.067 1.00 39.24 O ATOM 1080 OE2 GLU A 71 -9.442 10.011 2.550 1.00 36.93 O ATOM 1081 HA GLU A 71 -5.758 9.728 1.924 1.00 0.00 H ATOM 1082 HB2 GLU A 71 -5.817 12.668 2.668 1.00 0.00 H ATOM 1083 HB3 GLU A 71 -6.320 11.996 1.099 1.00 0.00 H ATOM 1084 HG2 GLU A 71 -7.579 11.385 3.787 1.00 0.00 H ATOM 1085 HG3 GLU A 71 -8.240 12.470 2.541 1.00 0.00 H ATOM 1086 H GLU A 71 -5.414 11.037 4.503 1.00 0.00 H ATOM 1087 N THR A 72 -3.057 11.534 2.358 1.00 19.75 N ATOM 1088 CA THR A 72 -1.713 11.742 1.830 1.00 17.36 C ATOM 1089 C THR A 72 -1.038 10.394 1.616 1.00 25.04 C ATOM 1090 O THR A 72 -0.391 10.157 0.598 1.00 20.56 O ATOM 1091 CB THR A 72 -0.862 12.606 2.776 1.00 20.92 C ATOM 1092 OG1 THR A 72 -1.474 13.893 2.929 1.00 24.27 O ATOM 1093 CG2 THR A 72 0.535 12.791 2.223 1.00 20.79 C ATOM 1094 HA THR A 72 -1.799 12.271 0.881 1.00 0.00 H ATOM 1095 HB THR A 72 -0.799 12.100 3.740 1.00 0.00 H ATOM 1096 HG1 THR A 72 -2.381 13.783 3.309 1.00 0.00 H ATOM 1097 HG23 THR A 72 1.009 11.817 2.103 1.00 0.00 H ATOM 1098 HG21 THR A 72 0.478 13.290 1.256 1.00 0.00 H ATOM 1099 HG22 THR A 72 1.120 13.399 2.913 1.00 0.00 H ATOM 1100 H THR A 72 -3.307 11.930 3.287 1.00 0.00 H ATOM 1101 N ILE A 73 -1.210 9.503 2.583 1.00 21.34 N ATOM 1102 CA ILE A 73 -0.633 8.171 2.496 1.00 22.85 C ATOM 1103 C ILE A 73 -1.221 7.401 1.315 1.00 22.05 C ATOM 1104 O ILE A 73 -0.498 6.730 0.578 1.00 23.92 O ATOM 1105 CB ILE A 73 -0.834 7.414 3.813 1.00 21.23 C ATOM 1106 CG1 ILE A 73 0.049 8.038 4.898 1.00 18.87 C ATOM 1107 CG2 ILE A 73 -0.526 5.937 3.640 1.00 24.26 C ATOM 1108 CD1 ILE A 73 -0.273 7.569 6.302 1.00 18.86 C ATOM 1109 HA ILE A 73 0.439 8.267 2.324 1.00 0.00 H ATOM 1110 HB ILE A 73 -1.878 7.496 4.117 1.00 0.00 H ATOM 1111 HG12 ILE A 73 1.087 7.786 4.682 1.00 0.00 H ATOM 1112 HG13 ILE A 73 -0.076 9.120 4.861 1.00 0.00 H ATOM 1113 HD11 ILE A 73 -1.305 7.824 6.541 1.00 0.00 H ATOM 1114 HD12 ILE A 73 -0.141 6.489 6.362 1.00 0.00 H ATOM 1115 HD13 ILE A 73 0.397 8.058 7.010 1.00 0.00 H ATOM 1116 HG21 ILE A 73 -1.191 5.514 2.887 1.00 0.00 H ATOM 1117 HG22 ILE A 73 0.509 5.818 3.321 1.00 0.00 H ATOM 1118 HG23 ILE A 73 -0.676 5.422 4.589 1.00 0.00 H ATOM 1119 H ILE A 73 -1.769 9.762 3.421 1.00 0.00 H ATOM 1120 N ASN A 74 -2.533 7.516 1.122 1.00 22.40 N ATOM 1121 CA ASN A 74 -3.189 6.888 -0.020 1.00 21.25 C ATOM 1122 C ASN A 74 -2.626 7.383 -1.348 1.00 21.02 C ATOM 1123 O ASN A 74 -2.362 6.594 -2.250 1.00 19.82 O ATOM 1124 CB ASN A 74 -4.704 7.120 0.026 1.00 24.09 C ATOM 1125 CG ASN A 74 -5.384 6.309 1.110 1.00 33.42 C ATOM 1126 OD1 ASN A 74 -4.826 5.331 1.611 1.00 29.96 O ATOM 1127 ND2 ASN A 74 -6.600 6.704 1.471 1.00 25.56 N ATOM 1128 HA ASN A 74 -2.989 5.819 0.049 1.00 0.00 H ATOM 1129 HB2 ASN A 74 -4.890 8.178 0.212 1.00 0.00 H ATOM 1130 HB3 ASN A 74 -5.130 6.841 -0.938 1.00 0.00 H ATOM 1131 HD22 ASN A 74 -7.032 7.536 1.020 1.00 0.00 H ATOM 1132 HD21 ASN A 74 -7.120 6.181 2.204 1.00 0.00 H ATOM 1133 H ASN A 74 -3.102 8.064 1.798 1.00 0.00 H ATOM 1134 N GLU A 75 -2.439 8.692 -1.461 1.00 20.71 N ATOM 1135 CA GLU A 75 -1.883 9.270 -2.676 1.00 23.52 C ATOM 1136 C GLU A 75 -0.454 8.801 -2.926 1.00 21.46 C ATOM 1137 O GLU A 75 -0.112 8.403 -4.038 1.00 20.19 O ATOM 1138 CB GLU A 75 -1.946 10.793 -2.613 1.00 23.30 C ATOM 1139 CG GLU A 75 -3.363 11.322 -2.556 1.00 22.91 C ATOM 1140 CD GLU A 75 -3.415 12.819 -2.328 1.00 44.13 C ATOM 1141 OE1 GLU A 75 -2.348 13.418 -2.078 1.00 43.28 O ATOM 1142 OE2 GLU A 75 -4.522 13.394 -2.399 1.00 31.87 O ATOM 1143 HA GLU A 75 -2.488 8.924 -3.514 1.00 0.00 H ATOM 1144 HB2 GLU A 75 -1.414 11.127 -1.722 1.00 0.00 H ATOM 1145 HB3 GLU A 75 -1.458 11.199 -3.500 1.00 0.00 H ATOM 1146 HG2 GLU A 75 -3.860 11.094 -3.499 1.00 0.00 H ATOM 1147 HG3 GLU A 75 -3.889 10.825 -1.741 1.00 0.00 H ATOM 1148 H GLU A 75 -2.694 9.315 -0.668 1.00 0.00 H ATOM 1149 N GLU A 76 0.379 8.842 -1.892 1.00 21.31 N ATOM 1150 CA GLU A 76 1.762 8.396 -2.030 1.00 19.11 C ATOM 1151 C GLU A 76 1.822 6.908 -2.356 1.00 23.49 C ATOM 1152 O GLU A 76 2.651 6.477 -3.156 1.00 23.32 O ATOM 1153 CB GLU A 76 2.571 8.706 -0.769 1.00 18.59 C ATOM 1154 CG GLU A 76 2.786 10.192 -0.537 1.00 20.84 C ATOM 1155 CD GLU A 76 3.409 10.880 -1.735 1.00 32.95 C ATOM 1156 OE1 GLU A 76 4.488 10.435 -2.182 1.00 26.51 O ATOM 1157 OE2 GLU A 76 2.815 11.859 -2.234 1.00 31.30 O ATOM 1158 HA GLU A 76 2.208 8.946 -2.859 1.00 0.00 H ATOM 1159 HB2 GLU A 76 2.041 8.295 0.091 1.00 0.00 H ATOM 1160 HB3 GLU A 76 3.546 8.226 -0.857 1.00 0.00 H ATOM 1161 HG2 GLU A 76 1.823 10.657 -0.328 1.00 0.00 H ATOM 1162 HG3 GLU A 76 3.444 10.321 0.322 1.00 0.00 H ATOM 1163 H GLU A 76 0.042 9.196 -0.974 1.00 0.00 H ATOM 1164 N ALA A 77 0.940 6.127 -1.738 1.00 21.10 N ATOM 1165 CA ALA A 77 0.875 4.693 -2.008 1.00 20.01 C ATOM 1166 C ALA A 77 0.506 4.422 -3.463 1.00 24.25 C ATOM 1167 O ALA A 77 1.070 3.534 -4.102 1.00 21.01 O ATOM 1168 CB ALA A 77 -0.115 4.007 -1.066 1.00 21.39 C ATOM 1169 HA ALA A 77 1.866 4.276 -1.829 1.00 0.00 H ATOM 1170 HB1 ALA A 77 0.204 4.157 -0.034 1.00 0.00 H ATOM 1171 HB2 ALA A 77 -1.107 4.437 -1.207 1.00 0.00 H ATOM 1172 HB3 ALA A 77 -0.145 2.940 -1.287 1.00 0.00 H ATOM 1173 H ALA A 77 0.284 6.546 -1.049 1.00 0.00 H ATOM 1174 N ALA A 78 -0.445 5.189 -3.986 1.00 25.19 N ATOM 1175 CA ALA A 78 -0.849 5.045 -5.381 1.00 22.06 C ATOM 1176 C ALA A 78 0.309 5.363 -6.316 1.00 24.05 C ATOM 1177 O ALA A 78 0.528 4.662 -7.305 1.00 23.87 O ATOM 1178 CB ALA A 78 -2.033 5.939 -5.686 1.00 21.18 C ATOM 1179 HA ALA A 78 -1.145 4.008 -5.543 1.00 0.00 H ATOM 1180 HB1 ALA A 78 -2.870 5.663 -5.044 1.00 0.00 H ATOM 1181 HB2 ALA A 78 -1.759 6.978 -5.502 1.00 0.00 H ATOM 1182 HB3 ALA A 78 -2.319 5.817 -6.731 1.00 0.00 H ATOM 1183 H ALA A 78 -0.909 5.904 -3.391 1.00 0.00 H ATOM 1184 N GLU A 79 1.051 6.420 -5.998 1.00 23.51 N ATOM 1185 CA GLU A 79 2.198 6.804 -6.812 1.00 24.24 C ATOM 1186 C GLU A 79 3.284 5.735 -6.735 1.00 22.09 C ATOM 1187 O GLU A 79 3.950 5.451 -7.728 1.00 20.77 O ATOM 1188 CB GLU A 79 2.750 8.163 -6.380 1.00 26.81 C ATOM 1189 CG GLU A 79 3.986 8.603 -7.153 1.00 24.15 C ATOM 1190 CD GLU A 79 3.691 8.958 -8.600 1.00 24.87 C ATOM 1191 OE1 GLU A 79 2.515 8.891 -9.009 1.00 25.89 O ATOM 1192 OE2 GLU A 79 4.643 9.301 -9.331 1.00 33.15 O ATOM 1193 HA GLU A 79 1.866 6.891 -7.847 1.00 0.00 H ATOM 1194 HB2 GLU A 79 1.971 8.911 -6.524 1.00 0.00 H ATOM 1195 HB3 GLU A 79 3.008 8.108 -5.322 1.00 0.00 H ATOM 1196 HG2 GLU A 79 4.410 9.478 -6.661 1.00 0.00 H ATOM 1197 HG3 GLU A 79 4.713 7.791 -7.136 1.00 0.00 H ATOM 1198 H GLU A 79 0.809 6.981 -5.156 1.00 0.00 H ATOM 1199 N TRP A 80 3.456 5.142 -5.555 1.00 18.44 N ATOM 1200 CA TRP A 80 4.379 4.024 -5.408 1.00 20.90 C ATOM 1201 C TRP A 80 3.960 2.888 -6.336 1.00 22.26 C ATOM 1202 O TRP A 80 4.788 2.298 -7.034 1.00 22.74 O ATOM 1203 CB TRP A 80 4.436 3.520 -3.958 1.00 18.96 C ATOM 1204 CG TRP A 80 5.238 2.262 -3.841 1.00 22.35 C ATOM 1205 CD1 TRP A 80 4.778 0.980 -3.970 1.00 21.72 C ATOM 1206 CD2 TRP A 80 6.649 2.160 -3.619 1.00 18.44 C ATOM 1207 NE1 TRP A 80 5.813 0.090 -3.828 1.00 20.56 N ATOM 1208 CE2 TRP A 80 6.973 0.787 -3.610 1.00 21.28 C ATOM 1209 CE3 TRP A 80 7.669 3.093 -3.407 1.00 21.18 C ATOM 1210 CZ2 TRP A 80 8.273 0.327 -3.404 1.00 22.68 C ATOM 1211 CZ3 TRP A 80 8.960 2.635 -3.205 1.00 22.43 C ATOM 1212 CH2 TRP A 80 9.250 1.265 -3.203 1.00 20.80 C ATOM 1213 HA TRP A 80 5.376 4.374 -5.677 1.00 0.00 H ATOM 1214 HB2 TRP A 80 4.891 4.289 -3.334 1.00 0.00 H ATOM 1215 HB3 TRP A 80 3.421 3.326 -3.611 1.00 0.00 H ATOM 1216 HE1 TRP A 80 5.731 -0.946 -3.878 1.00 0.00 H ATOM 1217 HD1 TRP A 80 3.740 0.705 -4.158 1.00 0.00 H ATOM 1218 HZ2 TRP A 80 8.503 -0.739 -3.403 1.00 0.00 H ATOM 1219 HH2 TRP A 80 10.277 0.938 -3.038 1.00 0.00 H ATOM 1220 HZ3 TRP A 80 9.764 3.353 -3.045 1.00 0.00 H ATOM 1221 HE3 TRP A 80 7.452 4.161 -3.401 1.00 0.00 H ATOM 1222 H TRP A 80 2.925 5.481 -4.728 1.00 0.00 H ATOM 1223 N ASP A 81 2.666 2.591 -6.355 1.00 19.38 N ATOM 1224 CA ASP A 81 2.161 1.500 -7.182 1.00 20.94 C ATOM 1225 C ASP A 81 2.330 1.806 -8.669 1.00 19.52 C ATOM 1226 O ASP A 81 2.548 0.906 -9.479 1.00 23.41 O ATOM 1227 CB ASP A 81 0.693 1.205 -6.858 1.00 20.39 C ATOM 1228 CG ASP A 81 0.510 0.572 -5.490 1.00 26.37 C ATOM 1229 OD1 ASP A 81 1.476 -0.023 -4.965 1.00 25.94 O ATOM 1230 OD2 ASP A 81 -0.609 0.660 -4.949 1.00 24.55 O ATOM 1231 HA ASP A 81 2.750 0.612 -6.953 1.00 0.00 H ATOM 1232 HB2 ASP A 81 0.134 2.141 -6.887 1.00 0.00 H ATOM 1233 HB3 ASP A 81 0.299 0.524 -7.613 1.00 0.00 H ATOM 1234 H ASP A 81 2.004 3.143 -5.773 1.00 0.00 H ATOM 1235 N ARG A 82 2.234 3.081 -9.026 1.00 19.49 N ATOM 1236 CA ARG A 82 2.407 3.472 -10.419 1.00 21.14 C ATOM 1237 C ARG A 82 3.849 3.256 -10.874 1.00 24.83 C ATOM 1238 O ARG A 82 4.097 2.763 -11.977 1.00 24.76 O ATOM 1239 CB ARG A 82 2.010 4.932 -10.622 1.00 23.96 C ATOM 1240 CG ARG A 82 2.004 5.351 -12.083 1.00 20.07 C ATOM 1241 CD ARG A 82 1.665 6.819 -12.237 1.00 23.17 C ATOM 1242 NE ARG A 82 2.770 7.676 -11.818 1.00 24.94 N ATOM 1243 CZ ARG A 82 3.822 7.960 -12.578 1.00 35.04 C ATOM 1244 NH1 ARG A 82 3.922 7.445 -13.797 1.00 25.18 N ATOM 1245 NH2 ARG A 82 4.780 8.752 -12.119 1.00 29.04 N ATOM 1246 HA ARG A 82 1.755 2.842 -11.024 1.00 0.00 H ATOM 1247 HB2 ARG A 82 1.010 5.080 -10.214 1.00 0.00 H ATOM 1248 HB3 ARG A 82 2.717 5.562 -10.083 1.00 0.00 H ATOM 1249 HG2 ARG A 82 2.991 5.168 -12.508 1.00 0.00 H ATOM 1250 HG3 ARG A 82 1.263 4.758 -12.619 1.00 0.00 H ATOM 1251 HD2 ARG A 82 0.791 7.046 -11.627 1.00 0.00 H ATOM 1252 HD3 ARG A 82 1.438 7.021 -13.284 1.00 0.00 H ATOM 1253 HE ARG A 82 2.731 8.090 -10.865 1.00 0.00 H ATOM 1254 HH12 ARG A 82 4.747 7.669 -14.390 1.00 0.00 H ATOM 1255 HH11 ARG A 82 3.176 6.818 -14.159 1.00 0.00 H ATOM 1256 HH22 ARG A 82 5.603 8.973 -12.716 1.00 0.00 H ATOM 1257 HH21 ARG A 82 4.709 9.153 -11.162 1.00 0.00 H ATOM 1258 H ARG A 82 2.034 3.805 -8.307 1.00 0.00 H ATOM 1259 N LEU A 83 4.794 3.619 -10.011 1.00 21.31 N ATOM 1260 CA LEU A 83 6.215 3.550 -10.338 1.00 19.94 C ATOM 1261 C LEU A 83 6.819 2.171 -10.095 1.00 23.15 C ATOM 1262 O LEU A 83 7.779 1.784 -10.762 1.00 20.86 O ATOM 1263 CB LEU A 83 6.990 4.591 -9.533 1.00 24.02 C ATOM 1264 CG LEU A 83 6.674 6.047 -9.875 1.00 23.84 C ATOM 1265 CD1 LEU A 83 7.442 6.984 -8.963 1.00 28.56 C ATOM 1266 CD2 LEU A 83 6.998 6.327 -11.330 1.00 28.65 C ATOM 1267 HA LEU A 83 6.297 3.756 -11.405 1.00 0.00 H ATOM 1268 HB2 LEU A 83 6.766 4.436 -8.478 1.00 0.00 H ATOM 1269 HB3 LEU A 83 8.054 4.427 -9.705 1.00 0.00 H ATOM 1270 HG LEU A 83 5.609 6.219 -9.721 1.00 0.00 H ATOM 1271 HD21 LEU A 83 8.057 6.141 -11.507 1.00 0.00 H ATOM 1272 HD22 LEU A 83 6.401 5.673 -11.966 1.00 0.00 H ATOM 1273 HD23 LEU A 83 6.768 7.368 -11.558 1.00 0.00 H ATOM 1274 HD11 LEU A 83 7.160 6.793 -7.928 1.00 0.00 H ATOM 1275 HD12 LEU A 83 8.512 6.814 -9.087 1.00 0.00 H ATOM 1276 HD13 LEU A 83 7.204 8.016 -9.221 1.00 0.00 H ATOM 1277 H LEU A 83 4.511 3.964 -9.072 1.00 0.00 H ATOM 1278 N HIS A 84 6.261 1.441 -9.135 1.00 21.84 N ATOM 1279 CA HIS A 84 6.798 0.139 -8.748 1.00 20.33 C ATOM 1280 C HIS A 84 5.712 -0.934 -8.717 1.00 22.75 C ATOM 1281 O HIS A 84 5.421 -1.494 -7.663 1.00 25.74 O ATOM 1282 CB HIS A 84 7.468 0.226 -7.372 1.00 20.29 C ATOM 1283 CG HIS A 84 8.559 1.249 -7.293 1.00 20.82 C ATOM 1284 ND1 HIS A 84 8.371 2.496 -6.738 1.00 26.54 N ATOM 1285 CD2 HIS A 84 9.848 1.212 -7.705 1.00 19.16 C ATOM 1286 CE1 HIS A 84 9.497 3.183 -6.810 1.00 25.27 C ATOM 1287 NE2 HIS A 84 10.409 2.426 -7.391 1.00 24.69 N ATOM 1288 HA HIS A 84 7.536 -0.143 -9.499 1.00 0.00 H ATOM 1289 HB2 HIS A 84 6.706 0.478 -6.634 1.00 0.00 H ATOM 1290 HB3 HIS A 84 7.893 -0.749 -7.135 1.00 0.00 H ATOM 1291 HD2 HIS A 84 10.347 0.376 -8.194 1.00 0.00 H ATOM 1292 HE1 HIS A 84 9.647 4.201 -6.451 1.00 0.00 H ATOM 1293 H HIS A 84 5.419 1.807 -8.646 1.00 0.00 H ATOM 1294 N PRO A 85 5.110 -1.229 -9.878 1.00 23.42 N ATOM 1295 CA PRO A 85 4.059 -2.252 -9.933 1.00 27.92 C ATOM 1296 C PRO A 85 4.614 -3.615 -9.532 1.00 28.48 C ATOM 1297 O PRO A 85 5.698 -3.993 -9.979 1.00 28.78 O ATOM 1298 CB PRO A 85 3.635 -2.244 -11.406 1.00 27.82 C ATOM 1299 CG PRO A 85 4.807 -1.679 -12.139 1.00 29.09 C ATOM 1300 CD PRO A 85 5.414 -0.671 -11.207 1.00 21.22 C ATOM 1301 HA PRO A 85 3.231 -2.055 -9.252 1.00 0.00 H ATOM 1302 HD3 PRO A 85 6.490 -0.590 -11.362 1.00 0.00 H ATOM 1303 HD2 PRO A 85 4.955 0.309 -11.336 1.00 0.00 H ATOM 1304 HG3 PRO A 85 4.484 -1.198 -13.062 1.00 0.00 H ATOM 1305 HG2 PRO A 85 5.526 -2.464 -12.372 1.00 0.00 H ATOM 1306 HB2 PRO A 85 3.419 -3.256 -11.749 1.00 0.00 H ATOM 1307 HB3 PRO A 85 2.754 -1.618 -11.549 1.00 0.00 H ATOM 1308 N VAL A 86 3.883 -4.337 -8.691 1.00 30.73 N ATOM 1309 CA VAL A 86 4.386 -5.581 -8.115 1.00 35.45 C ATOM 1310 C VAL A 86 4.330 -6.755 -9.084 1.00 38.88 C ATOM 1311 O VAL A 86 3.366 -6.916 -9.832 1.00 45.69 O ATOM 1312 CB VAL A 86 3.621 -5.960 -6.828 1.00 29.95 C ATOM 1313 CG1 VAL A 86 3.792 -7.441 -6.518 1.00 36.29 C ATOM 1314 CG2 VAL A 86 4.085 -5.104 -5.659 1.00 34.30 C ATOM 1315 HA VAL A 86 5.432 -5.385 -7.880 1.00 0.00 H ATOM 1316 HB VAL A 86 2.560 -5.769 -6.989 1.00 0.00 H ATOM 1317 HG11 VAL A 86 3.403 -8.032 -7.347 1.00 0.00 H ATOM 1318 HG12 VAL A 86 4.850 -7.662 -6.378 1.00 0.00 H ATOM 1319 HG13 VAL A 86 3.245 -7.686 -5.608 1.00 0.00 H ATOM 1320 HG21 VAL A 86 5.151 -5.261 -5.496 1.00 0.00 H ATOM 1321 HG22 VAL A 86 3.901 -4.053 -5.884 1.00 0.00 H ATOM 1322 HG23 VAL A 86 3.534 -5.387 -4.762 1.00 0.00 H ATOM 1323 H VAL A 86 2.930 -4.009 -8.436 1.00 0.00 H ATOM 1324 N HIS A 87 5.376 -7.575 -9.052 1.00 39.87 N ATOM 1325 CA HIS A 87 5.418 -8.806 -9.828 1.00 53.45 C ATOM 1326 C HIS A 87 4.393 -9.801 -9.291 1.00 62.24 C ATOM 1327 O HIS A 87 4.698 -10.607 -8.410 1.00 77.18 O ATOM 1328 CB HIS A 87 6.818 -9.415 -9.769 1.00 52.52 C ATOM 1329 CG HIS A 87 7.018 -10.564 -10.706 1.00 67.32 C ATOM 1330 ND1 HIS A 87 6.835 -10.452 -12.068 1.00 68.61 N ATOM 1331 CD2 HIS A 87 7.387 -11.847 -10.480 1.00 73.25 C ATOM 1332 CE1 HIS A 87 7.081 -11.617 -12.640 1.00 70.89 C ATOM 1333 NE2 HIS A 87 7.418 -12.480 -11.699 1.00 79.51 N ATOM 1334 HA HIS A 87 5.176 -8.576 -10.865 1.00 0.00 H ATOM 1335 HB2 HIS A 87 7.541 -8.639 -10.018 1.00 0.00 H ATOM 1336 HB3 HIS A 87 6.998 -9.765 -8.753 1.00 0.00 H ATOM 1337 HD2 HIS A 87 7.616 -12.294 -9.513 1.00 0.00 H ATOM 1338 HE1 HIS A 87 7.017 -11.830 -13.707 1.00 0.00 H ATOM 1339 H HIS A 87 6.190 -7.329 -8.453 1.00 0.00 H ATOM 1340 N ALA A 88 3.176 -9.737 -9.821 1.00 55.89 N ATOM 1341 CA ALA A 88 2.096 -10.607 -9.371 1.00 62.71 C ATOM 1342 C ALA A 88 2.208 -11.998 -9.989 1.00 61.55 C ATOM 1343 O ALA A 88 1.493 -12.331 -10.933 1.00 50.60 O ATOM 1344 CB ALA A 88 0.747 -9.983 -9.692 1.00 46.68 C ATOM 1345 HA ALA A 88 2.181 -10.719 -8.290 1.00 0.00 H ATOM 1346 HB1 ALA A 88 0.664 -9.021 -9.187 1.00 0.00 H ATOM 1347 HB2 ALA A 88 0.662 -9.838 -10.769 1.00 0.00 H ATOM 1348 HB3 ALA A 88 -0.049 -10.645 -9.350 1.00 0.00 H ATOM 1349 H ALA A 88 2.989 -9.048 -10.577 1.00 0.00 H ATOM 1350 N GLY A 89 3.114 -12.807 -9.451 1.00 54.83 N ATOM 1351 CA GLY A 89 3.329 -14.148 -9.959 1.00 61.33 C ATOM 1352 C GLY A 89 3.924 -15.073 -8.917 1.00 70.17 C ATOM 1353 O GLY A 89 4.118 -14.679 -7.766 1.00 60.43 O ATOM 1354 HA3 GLY A 89 4.009 -14.095 -10.810 1.00 0.00 H ATOM 1355 HA2 GLY A 89 2.372 -14.557 -10.285 1.00 0.00 H ATOM 1356 H GLY A 89 3.682 -12.471 -8.647 1.00 0.00 H ATOM 1357 N PRO A 90 4.216 -16.318 -9.317 1.00 69.54 N ATOM 1358 CA PRO A 90 4.801 -17.327 -8.426 1.00 76.55 C ATOM 1359 C PRO A 90 6.215 -16.952 -7.989 1.00 72.55 C ATOM 1360 O PRO A 90 6.999 -16.460 -8.802 1.00 74.48 O ATOM 1361 CB PRO A 90 4.846 -18.585 -9.303 1.00 73.48 C ATOM 1362 CG PRO A 90 3.871 -18.331 -10.409 1.00 70.81 C ATOM 1363 CD PRO A 90 3.937 -16.860 -10.657 1.00 62.95 C ATOM 1364 HA PRO A 90 4.227 -17.444 -7.507 1.00 0.00 H ATOM 1365 HD3 PRO A 90 4.737 -16.614 -11.355 1.00 0.00 H ATOM 1366 HD2 PRO A 90 2.990 -16.484 -11.044 1.00 0.00 H ATOM 1367 HG3 PRO A 90 2.865 -18.624 -10.107 1.00 0.00 H ATOM 1368 HG2 PRO A 90 4.156 -18.883 -11.305 1.00 0.00 H ATOM 1369 HB2 PRO A 90 5.848 -18.735 -9.704 1.00 0.00 H ATOM 1370 HB3 PRO A 90 4.551 -19.463 -8.728 1.00 0.00 H ATOM 1371 N ILE A 91 6.532 -17.179 -6.718 1.00 66.06 N ATOM 1372 CA ILE A 91 7.888 -16.965 -6.223 1.00 67.26 C ATOM 1373 C ILE A 91 8.424 -18.240 -5.580 1.00 66.36 C ATOM 1374 O ILE A 91 7.732 -18.892 -4.796 1.00 60.06 O ATOM 1375 CB ILE A 91 7.966 -15.797 -5.212 1.00 66.17 C ATOM 1376 CG1 ILE A 91 7.238 -16.152 -3.915 1.00 58.33 C ATOM 1377 CG2 ILE A 91 7.401 -14.519 -5.818 1.00 59.78 C ATOM 1378 CD1 ILE A 91 7.369 -15.101 -2.840 1.00 51.00 C ATOM 1379 HA ILE A 91 8.504 -16.699 -7.082 1.00 0.00 H ATOM 1380 HB ILE A 91 9.016 -15.624 -4.974 1.00 0.00 H ATOM 1381 HG12 ILE A 91 6.180 -16.286 -4.139 1.00 0.00 H ATOM 1382 HG13 ILE A 91 7.648 -17.087 -3.534 1.00 0.00 H ATOM 1383 HD11 ILE A 91 8.422 -14.963 -2.595 1.00 0.00 H ATOM 1384 HD12 ILE A 91 6.952 -14.161 -3.200 1.00 0.00 H ATOM 1385 HD13 ILE A 91 6.827 -15.423 -1.951 1.00 0.00 H ATOM 1386 HG21 ILE A 91 7.975 -14.255 -6.706 1.00 0.00 H ATOM 1387 HG22 ILE A 91 6.358 -14.678 -6.092 1.00 0.00 H ATOM 1388 HG23 ILE A 91 7.467 -13.712 -5.088 1.00 0.00 H ATOM 1389 H ILE A 91 5.798 -17.516 -6.063 1.00 0.00 H ATOM 1390 N ALA A 92 9.656 -18.598 -5.924 1.00 57.17 N ATOM 1391 CA ALA A 92 10.265 -19.816 -5.406 1.00 60.81 C ATOM 1392 C ALA A 92 10.535 -19.695 -3.911 1.00 66.25 C ATOM 1393 O ALA A 92 10.692 -18.589 -3.392 1.00 64.47 O ATOM 1394 CB ALA A 92 11.552 -20.124 -6.157 1.00 63.20 C ATOM 1395 HA ALA A 92 9.567 -20.639 -5.558 1.00 0.00 H ATOM 1396 HB1 ALA A 92 11.330 -20.259 -7.216 1.00 0.00 H ATOM 1397 HB2 ALA A 92 12.250 -19.296 -6.034 1.00 0.00 H ATOM 1398 HB3 ALA A 92 11.994 -21.037 -5.758 1.00 0.00 H ATOM 1399 H ALA A 92 10.197 -17.996 -6.577 1.00 0.00 H ATOM 1400 N PRO A 93 10.578 -20.838 -3.211 1.00 74.71 N ATOM 1401 CA PRO A 93 10.926 -20.856 -1.787 1.00 70.48 C ATOM 1402 C PRO A 93 12.279 -20.194 -1.562 1.00 56.24 C ATOM 1403 O PRO A 93 13.159 -20.305 -2.415 1.00 47.13 O ATOM 1404 CB PRO A 93 11.010 -22.350 -1.469 1.00 75.13 C ATOM 1405 CG PRO A 93 10.109 -22.995 -2.465 1.00 72.53 C ATOM 1406 CD PRO A 93 10.253 -22.183 -3.719 1.00 74.69 C ATOM 1407 HA PRO A 93 10.211 -20.319 -1.163 1.00 0.00 H ATOM 1408 HD3 PRO A 93 11.057 -22.570 -4.346 1.00 0.00 H ATOM 1409 HD2 PRO A 93 9.323 -22.173 -4.288 1.00 0.00 H ATOM 1410 HG3 PRO A 93 9.077 -22.976 -2.115 1.00 0.00 H ATOM 1411 HG2 PRO A 93 10.412 -24.027 -2.642 1.00 0.00 H ATOM 1412 HB2 PRO A 93 12.032 -22.712 -1.583 1.00 0.00 H ATOM 1413 HB3 PRO A 93 10.667 -22.548 -0.454 1.00 0.00 H ATOM 1414 N GLY A 94 12.439 -19.516 -0.431 1.00 61.83 N ATOM 1415 CA GLY A 94 13.660 -18.786 -0.143 1.00 52.25 C ATOM 1416 C GLY A 94 13.522 -17.326 -0.531 1.00 39.20 C ATOM 1417 O GLY A 94 14.200 -16.455 0.017 1.00 50.54 O ATOM 1418 HA3 GLY A 94 14.482 -19.229 -0.705 1.00 0.00 H ATOM 1419 HA2 GLY A 94 13.873 -18.853 0.924 1.00 0.00 H ATOM 1420 H GLY A 94 11.668 -19.508 0.267 1.00 0.00 H ATOM 1421 N GLN A 95 12.634 -17.062 -1.484 1.00 50.79 N ATOM 1422 CA GLN A 95 12.359 -15.700 -1.923 1.00 41.87 C ATOM 1423 C GLN A 95 11.107 -15.166 -1.241 1.00 40.16 C ATOM 1424 O GLN A 95 10.328 -15.930 -0.669 1.00 36.17 O ATOM 1425 CB GLN A 95 12.181 -15.658 -3.440 1.00 46.24 C ATOM 1426 CG GLN A 95 13.394 -16.135 -4.219 1.00 46.90 C ATOM 1427 CD GLN A 95 13.217 -15.985 -5.714 1.00 63.69 C ATOM 1428 OE1 GLN A 95 12.132 -16.213 -6.249 1.00 64.91 O ATOM 1429 NE2 GLN A 95 14.284 -15.586 -6.397 1.00 68.67 N ATOM 1430 HA GLN A 95 13.206 -15.072 -1.648 1.00 0.00 H ATOM 1431 HB2 GLN A 95 11.334 -16.291 -3.703 1.00 0.00 H ATOM 1432 HB3 GLN A 95 11.969 -14.629 -3.732 1.00 0.00 H ATOM 1433 HG2 GLN A 95 14.261 -15.551 -3.909 1.00 0.00 H ATOM 1434 HG3 GLN A 95 13.565 -17.187 -3.991 1.00 0.00 H ATOM 1435 HE22 GLN A 95 15.181 -15.405 -5.902 1.00 0.00 H ATOM 1436 HE21 GLN A 95 14.223 -15.454 -7.427 1.00 0.00 H ATOM 1437 H GLN A 95 12.121 -17.850 -1.929 1.00 0.00 H ATOM 1438 N MET A 96 10.916 -13.852 -1.298 1.00 30.67 N ATOM 1439 CA MET A 96 9.704 -13.249 -0.763 1.00 30.78 C ATOM 1440 C MET A 96 9.070 -12.301 -1.775 1.00 26.16 C ATOM 1441 O MET A 96 9.722 -11.859 -2.721 1.00 27.89 O ATOM 1442 CB MET A 96 9.976 -12.531 0.562 1.00 39.38 C ATOM 1443 CG MET A 96 10.764 -11.246 0.439 1.00 27.43 C ATOM 1444 SD MET A 96 11.015 -10.441 2.038 1.00 32.45 S ATOM 1445 CE MET A 96 9.332 -10.326 2.646 1.00 29.13 C ATOM 1446 HA MET A 96 8.996 -14.054 -0.565 1.00 0.00 H ATOM 1447 HB2 MET A 96 9.017 -12.298 1.024 1.00 0.00 H ATOM 1448 HB3 MET A 96 10.533 -13.210 1.207 1.00 0.00 H ATOM 1449 HG2 MET A 96 10.223 -10.564 -0.216 1.00 0.00 H ATOM 1450 HG3 MET A 96 11.737 -11.471 0.003 1.00 0.00 H ATOM 1451 HE1 MET A 96 8.736 -9.733 1.952 1.00 0.00 H ATOM 1452 HE2 MET A 96 8.907 -11.327 2.728 1.00 0.00 H ATOM 1453 HE3 MET A 96 9.333 -9.849 3.626 1.00 0.00 H ATOM 1454 H MET A 96 11.642 -13.246 -1.731 1.00 0.00 H ATOM 1455 N ARG A 97 7.791 -12.005 -1.574 1.00 25.27 N ATOM 1456 CA ARG A 97 7.061 -11.130 -2.479 1.00 20.78 C ATOM 1457 C ARG A 97 7.524 -9.681 -2.374 1.00 19.52 C ATOM 1458 O ARG A 97 8.186 -9.298 -1.411 1.00 24.26 O ATOM 1459 CB ARG A 97 5.562 -11.214 -2.206 1.00 25.53 C ATOM 1460 CG ARG A 97 5.133 -10.572 -0.905 1.00 24.34 C ATOM 1461 CD ARG A 97 3.668 -10.851 -0.618 1.00 22.04 C ATOM 1462 NE ARG A 97 3.213 -10.154 0.578 1.00 24.14 N ATOM 1463 CZ ARG A 97 2.657 -8.948 0.565 1.00 23.72 C ATOM 1464 NH1 ARG A 97 2.489 -8.311 -0.587 1.00 22.96 N ATOM 1465 NH2 ARG A 97 2.273 -8.381 1.700 1.00 19.91 N ATOM 1466 HA ARG A 97 7.267 -11.473 -3.493 1.00 0.00 H ATOM 1467 HB2 ARG A 97 5.037 -10.718 -3.022 1.00 0.00 H ATOM 1468 HB3 ARG A 97 5.277 -12.266 -2.179 1.00 0.00 H ATOM 1469 HG2 ARG A 97 5.739 -10.973 -0.092 1.00 0.00 H ATOM 1470 HG3 ARG A 97 5.285 -9.495 -0.972 1.00 0.00 H ATOM 1471 HD2 ARG A 97 3.533 -11.923 -0.476 1.00 0.00 H ATOM 1472 HD3 ARG A 97 3.072 -10.521 -1.469 1.00 0.00 H ATOM 1473 HE ARG A 97 3.331 -10.629 1.496 1.00 0.00 H ATOM 1474 HH12 ARG A 97 2.054 -7.366 -0.600 1.00 0.00 H ATOM 1475 HH11 ARG A 97 2.792 -8.756 -1.477 1.00 0.00 H ATOM 1476 HH22 ARG A 97 1.838 -7.437 1.688 1.00 0.00 H ATOM 1477 HH21 ARG A 97 2.407 -8.881 2.602 1.00 0.00 H ATOM 1478 H ARG A 97 7.300 -12.408 -0.751 1.00 0.00 H ATOM 1479 N GLU A 98 7.172 -8.884 -3.379 1.00 20.12 N ATOM 1480 CA GLU A 98 7.493 -7.459 -3.389 1.00 22.34 C ATOM 1481 C GLU A 98 6.345 -6.655 -2.779 1.00 25.44 C ATOM 1482 O GLU A 98 5.178 -7.012 -2.943 1.00 21.14 O ATOM 1483 CB GLU A 98 7.775 -6.992 -4.821 1.00 19.79 C ATOM 1484 CG GLU A 98 8.977 -7.666 -5.462 1.00 21.64 C ATOM 1485 CD GLU A 98 9.036 -7.442 -6.958 1.00 30.11 C ATOM 1486 OE1 GLU A 98 8.362 -6.510 -7.445 1.00 29.83 O ATOM 1487 OE2 GLU A 98 9.753 -8.200 -7.645 1.00 23.26 O ATOM 1488 HA GLU A 98 8.387 -7.294 -2.788 1.00 0.00 H ATOM 1489 HB2 GLU A 98 6.897 -7.204 -5.431 1.00 0.00 H ATOM 1490 HB3 GLU A 98 7.953 -5.917 -4.803 1.00 0.00 H ATOM 1491 HG2 GLU A 98 9.885 -7.265 -5.012 1.00 0.00 H ATOM 1492 HG3 GLU A 98 8.921 -8.738 -5.270 1.00 0.00 H ATOM 1493 H GLU A 98 6.652 -9.288 -4.183 1.00 0.00 H ATOM 1494 N PRO A 99 6.672 -5.569 -2.057 1.00 18.30 N ATOM 1495 CA PRO A 99 5.645 -4.764 -1.390 1.00 18.95 C ATOM 1496 C PRO A 99 4.938 -3.777 -2.314 1.00 23.30 C ATOM 1497 O PRO A 99 5.583 -3.125 -3.136 1.00 21.49 O ATOM 1498 CB PRO A 99 6.448 -3.984 -0.351 1.00 17.28 C ATOM 1499 CG PRO A 99 7.797 -3.834 -0.971 1.00 18.83 C ATOM 1500 CD PRO A 99 8.034 -5.115 -1.724 1.00 19.09 C ATOM 1501 HA PRO A 99 4.851 -5.397 -0.994 1.00 0.00 H ATOM 1502 HD3 PRO A 99 8.618 -4.935 -2.627 1.00 0.00 H ATOM 1503 HD2 PRO A 99 8.548 -5.846 -1.100 1.00 0.00 H ATOM 1504 HG3 PRO A 99 8.557 -3.697 -0.202 1.00 0.00 H ATOM 1505 HG2 PRO A 99 7.812 -2.983 -1.651 1.00 0.00 H ATOM 1506 HB2 PRO A 99 5.997 -3.009 -0.165 1.00 0.00 H ATOM 1507 HB3 PRO A 99 6.512 -4.538 0.585 1.00 0.00 H ATOM 1508 N ARG A 100 3.620 -3.679 -2.179 1.00 19.19 N ATOM 1509 CA ARG A 100 2.867 -2.626 -2.842 1.00 21.12 C ATOM 1510 C ARG A 100 2.688 -1.473 -1.860 1.00 21.02 C ATOM 1511 O ARG A 100 3.154 -1.543 -0.718 1.00 21.77 O ATOM 1512 CB ARG A 100 1.514 -3.141 -3.346 1.00 22.42 C ATOM 1513 CG ARG A 100 0.596 -3.687 -2.268 1.00 38.52 C ATOM 1514 CD ARG A 100 -0.597 -4.412 -2.883 1.00 43.34 C ATOM 1515 NE ARG A 100 -1.527 -4.902 -1.869 1.00 63.32 N ATOM 1516 CZ ARG A 100 -2.593 -5.653 -2.129 1.00 72.10 C ATOM 1517 NH1 ARG A 100 -2.867 -6.011 -3.377 1.00 75.54 N ATOM 1518 NH2 ARG A 100 -3.383 -6.051 -1.141 1.00 69.46 N ATOM 1519 HA ARG A 100 3.415 -2.281 -3.718 1.00 0.00 H ATOM 1520 HB2 ARG A 100 1.001 -2.317 -3.842 1.00 0.00 H ATOM 1521 HB3 ARG A 100 1.702 -3.937 -4.067 1.00 0.00 H ATOM 1522 HG2 ARG A 100 1.154 -4.384 -1.643 1.00 0.00 H ATOM 1523 HG3 ARG A 100 0.235 -2.861 -1.655 1.00 0.00 H ATOM 1524 HD2 ARG A 100 -0.232 -5.259 -3.464 1.00 0.00 H ATOM 1525 HD3 ARG A 100 -1.126 -3.723 -3.541 1.00 0.00 H ATOM 1526 HE ARG A 100 -1.343 -4.647 -0.878 1.00 0.00 H ATOM 1527 HH12 ARG A 100 -3.701 -6.598 -3.578 1.00 0.00 H ATOM 1528 HH11 ARG A 100 -2.247 -5.704 -4.154 1.00 0.00 H ATOM 1529 HH22 ARG A 100 -4.216 -6.638 -1.346 1.00 0.00 H ATOM 1530 HH21 ARG A 100 -3.169 -5.776 -0.161 1.00 0.00 H ATOM 1531 H ARG A 100 3.116 -4.370 -1.587 1.00 0.00 H ATOM 1532 N GLY A 101 2.022 -0.413 -2.306 1.00 21.45 N ATOM 1533 CA GLY A 101 1.827 0.769 -1.487 1.00 21.05 C ATOM 1534 C GLY A 101 1.202 0.460 -0.138 1.00 25.02 C ATOM 1535 O GLY A 101 1.678 0.930 0.897 1.00 20.11 O ATOM 1536 HA3 GLY A 101 1.175 1.459 -2.022 1.00 0.00 H ATOM 1537 HA2 GLY A 101 2.796 1.241 -1.321 1.00 0.00 H ATOM 1538 H GLY A 101 1.630 -0.431 -3.269 1.00 0.00 H ATOM 1539 N SER A 102 0.134 -0.335 -0.149 1.00 20.73 N ATOM 1540 CA SER A 102 -0.587 -0.663 1.075 1.00 21.97 C ATOM 1541 C SER A 102 0.236 -1.561 2.002 1.00 22.76 C ATOM 1542 O SER A 102 -0.021 -1.623 3.204 1.00 20.46 O ATOM 1543 CB SER A 102 -1.936 -1.312 0.746 1.00 19.80 C ATOM 1544 OG SER A 102 -1.759 -2.482 -0.028 1.00 23.63 O ATOM 1545 HA SER A 102 -0.768 0.270 1.608 1.00 0.00 H ATOM 1546 HB2 SER A 102 -2.546 -0.603 0.187 1.00 0.00 H ATOM 1547 HB3 SER A 102 -2.443 -1.572 1.675 1.00 0.00 H ATOM 1548 HG SER A 102 -1.208 -3.131 0.478 1.00 0.00 H ATOM 1549 H SER A 102 -0.194 -0.732 -1.053 1.00 0.00 H ATOM 1550 N ASP A 103 1.226 -2.244 1.437 1.00 21.04 N ATOM 1551 CA ASP A 103 2.164 -3.043 2.218 1.00 18.80 C ATOM 1552 C ASP A 103 3.144 -2.134 2.951 1.00 20.84 C ATOM 1553 O ASP A 103 3.474 -2.359 4.116 1.00 19.55 O ATOM 1554 CB ASP A 103 2.930 -4.013 1.317 1.00 21.14 C ATOM 1555 CG ASP A 103 2.055 -5.138 0.790 1.00 21.88 C ATOM 1556 OD1 ASP A 103 1.165 -5.602 1.539 1.00 23.14 O ATOM 1557 OD2 ASP A 103 2.261 -5.561 -0.369 1.00 24.76 O ATOM 1558 HA ASP A 103 1.596 -3.621 2.947 1.00 0.00 H ATOM 1559 HB2 ASP A 103 3.333 -3.458 0.470 1.00 0.00 H ATOM 1560 HB3 ASP A 103 3.750 -4.447 1.889 1.00 0.00 H ATOM 1561 H ASP A 103 1.336 -2.208 0.403 1.00 0.00 H ATOM 1562 N ILE A 104 3.605 -1.098 2.261 1.00 20.77 N ATOM 1563 CA ILE A 104 4.496 -0.122 2.870 1.00 17.61 C ATOM 1564 C ILE A 104 3.805 0.610 4.022 1.00 21.86 C ATOM 1565 O ILE A 104 4.423 0.889 5.052 1.00 16.84 O ATOM 1566 CB ILE A 104 5.034 0.869 1.811 1.00 18.62 C ATOM 1567 CG1 ILE A 104 5.996 0.135 0.868 1.00 20.92 C ATOM 1568 CG2 ILE A 104 5.712 2.068 2.481 1.00 17.58 C ATOM 1569 CD1 ILE A 104 6.382 0.913 -0.373 1.00 20.50 C ATOM 1570 HA ILE A 104 5.350 -0.656 3.287 1.00 0.00 H ATOM 1571 HB ILE A 104 4.201 1.257 1.225 1.00 0.00 H ATOM 1572 HG12 ILE A 104 6.906 -0.094 1.422 1.00 0.00 H ATOM 1573 HG13 ILE A 104 5.520 -0.794 0.553 1.00 0.00 H ATOM 1574 HD11 ILE A 104 5.486 1.141 -0.951 1.00 0.00 H ATOM 1575 HD12 ILE A 104 6.873 1.841 -0.080 1.00 0.00 H ATOM 1576 HD13 ILE A 104 7.063 0.315 -0.978 1.00 0.00 H ATOM 1577 HG21 ILE A 104 4.990 2.586 3.112 1.00 0.00 H ATOM 1578 HG22 ILE A 104 6.545 1.719 3.091 1.00 0.00 H ATOM 1579 HG23 ILE A 104 6.082 2.750 1.715 1.00 0.00 H ATOM 1580 H ILE A 104 3.324 -0.982 1.266 1.00 0.00 H ATOM 1581 N ALA A 105 2.516 0.898 3.856 1.00 18.96 N ATOM 1582 CA ALA A 105 1.746 1.581 4.888 1.00 20.77 C ATOM 1583 C ALA A 105 1.344 0.642 6.020 1.00 24.72 C ATOM 1584 O ALA A 105 0.724 1.067 6.993 1.00 20.12 O ATOM 1585 CB ALA A 105 0.516 2.249 4.291 1.00 19.99 C ATOM 1586 HA ALA A 105 2.392 2.348 5.314 1.00 0.00 H ATOM 1587 HB1 ALA A 105 0.827 2.978 3.543 1.00 0.00 H ATOM 1588 HB2 ALA A 105 -0.115 1.493 3.823 1.00 0.00 H ATOM 1589 HB3 ALA A 105 -0.042 2.752 5.081 1.00 0.00 H ATOM 1590 H ALA A 105 2.047 0.629 2.968 1.00 0.00 H ATOM 1591 N GLY A 106 1.692 -0.635 5.882 1.00 21.30 N ATOM 1592 CA GLY A 106 1.446 -1.614 6.925 1.00 22.69 C ATOM 1593 C GLY A 106 0.002 -2.072 6.983 1.00 26.25 C ATOM 1594 O GLY A 106 -0.397 -2.774 7.910 1.00 27.85 O ATOM 1595 HA3 GLY A 106 1.708 -1.171 7.886 1.00 0.00 H ATOM 1596 HA2 GLY A 106 2.079 -2.483 6.742 1.00 0.00 H ATOM 1597 H GLY A 106 2.154 -0.940 5.001 1.00 0.00 H ATOM 1598 N THR A 107 -0.782 -1.680 5.986 1.00 19.22 N ATOM 1599 CA THR A 107 -2.206 -2.007 5.947 1.00 22.53 C ATOM 1600 C THR A 107 -2.449 -3.452 5.531 1.00 32.57 C ATOM 1601 O THR A 107 -3.341 -4.124 6.053 1.00 27.84 O ATOM 1602 CB THR A 107 -2.953 -1.093 4.953 1.00 31.19 C ATOM 1603 OG1 THR A 107 -2.715 0.279 5.290 1.00 32.49 O ATOM 1604 CG2 THR A 107 -4.451 -1.371 4.985 1.00 35.97 C ATOM 1605 HA THR A 107 -2.582 -1.856 6.959 1.00 0.00 H ATOM 1606 HB THR A 107 -2.582 -1.297 3.949 1.00 0.00 H ATOM 1607 HG1 THR A 107 -3.195 0.863 4.651 1.00 0.00 H ATOM 1608 HG23 THR A 107 -4.631 -2.415 4.728 1.00 0.00 H ATOM 1609 HG21 THR A 107 -4.835 -1.170 5.985 1.00 0.00 H ATOM 1610 HG22 THR A 107 -4.954 -0.726 4.264 1.00 0.00 H ATOM 1611 H THR A 107 -0.371 -1.124 5.210 1.00 0.00 H ATOM 1612 N THR A 108 -1.654 -3.923 4.578 1.00 25.39 N ATOM 1613 CA THR A 108 -1.855 -5.243 3.996 1.00 23.52 C ATOM 1614 C THR A 108 -0.642 -6.138 4.200 1.00 25.96 C ATOM 1615 O THR A 108 -0.534 -7.201 3.588 1.00 24.22 O ATOM 1616 CB THR A 108 -2.143 -5.133 2.492 1.00 26.30 C ATOM 1617 OG1 THR A 108 -1.106 -4.366 1.872 1.00 23.44 O ATOM 1618 CG2 THR A 108 -3.473 -4.436 2.257 1.00 26.19 C ATOM 1619 HA THR A 108 -2.710 -5.688 4.506 1.00 0.00 H ATOM 1620 HB THR A 108 -2.183 -6.136 2.066 1.00 0.00 H ATOM 1621 HG1 THR A 108 -0.235 -4.816 2.013 1.00 0.00 H ATOM 1622 HG23 THR A 108 -4.271 -5.012 2.725 1.00 0.00 H ATOM 1623 HG21 THR A 108 -3.440 -3.437 2.692 1.00 0.00 H ATOM 1624 HG22 THR A 108 -3.658 -4.361 1.185 1.00 0.00 H ATOM 1625 H THR A 108 -0.867 -3.334 4.238 1.00 0.00 H ATOM 1626 N SER A 109 0.281 -5.705 5.052 1.00 23.50 N ATOM 1627 CA SER A 109 1.476 -6.494 5.324 1.00 18.64 C ATOM 1628 C SER A 109 1.571 -6.867 6.800 1.00 21.43 C ATOM 1629 O SER A 109 1.074 -6.147 7.664 1.00 25.45 O ATOM 1630 CB SER A 109 2.730 -5.728 4.904 1.00 19.13 C ATOM 1631 OG SER A 109 2.883 -4.558 5.686 1.00 20.79 O ATOM 1632 HA SER A 109 1.404 -7.412 4.741 1.00 0.00 H ATOM 1633 HB2 SER A 109 2.645 -5.449 3.854 1.00 0.00 H ATOM 1634 HB3 SER A 109 3.603 -6.367 5.039 1.00 0.00 H ATOM 1635 HG SER A 109 3.699 -4.076 5.400 1.00 0.00 H ATOM 1636 H SER A 109 0.149 -4.791 5.531 1.00 0.00 H ATOM 1637 N THR A 110 2.211 -7.999 7.078 1.00 24.55 N ATOM 1638 CA THR A 110 2.466 -8.413 8.451 1.00 21.20 C ATOM 1639 C THR A 110 3.776 -7.815 8.939 1.00 19.04 C ATOM 1640 O THR A 110 4.593 -7.363 8.139 1.00 23.78 O ATOM 1641 CB THR A 110 2.563 -9.946 8.571 1.00 24.31 C ATOM 1642 OG1 THR A 110 3.732 -10.412 7.884 1.00 23.18 O ATOM 1643 CG2 THR A 110 1.333 -10.606 7.976 1.00 23.23 C ATOM 1644 HA THR A 110 1.631 -8.060 9.057 1.00 0.00 H ATOM 1645 HB THR A 110 2.628 -10.208 9.627 1.00 0.00 H ATOM 1646 HG1 THR A 110 3.790 -11.397 7.964 1.00 0.00 H ATOM 1647 HG23 THR A 110 0.444 -10.252 8.498 1.00 0.00 H ATOM 1648 HG21 THR A 110 1.261 -10.351 6.919 1.00 0.00 H ATOM 1649 HG22 THR A 110 1.414 -11.687 8.085 1.00 0.00 H ATOM 1650 H THR A 110 2.537 -8.603 6.297 1.00 0.00 H ATOM 1651 N LEU A 111 3.974 -7.825 10.254 1.00 23.35 N ATOM 1652 CA LEU A 111 5.229 -7.371 10.834 1.00 21.44 C ATOM 1653 C LEU A 111 6.387 -8.210 10.306 1.00 23.11 C ATOM 1654 O LEU A 111 7.452 -7.687 9.991 1.00 22.72 O ATOM 1655 CB LEU A 111 5.171 -7.448 12.361 1.00 23.13 C ATOM 1656 CG LEU A 111 6.464 -7.174 13.128 1.00 23.87 C ATOM 1657 CD1 LEU A 111 7.006 -5.782 12.825 1.00 22.57 C ATOM 1658 CD2 LEU A 111 6.225 -7.349 14.626 1.00 25.48 C ATOM 1659 HA LEU A 111 5.389 -6.332 10.546 1.00 0.00 H ATOM 1660 HB2 LEU A 111 4.431 -6.722 12.697 1.00 0.00 H ATOM 1661 HB3 LEU A 111 4.840 -8.452 12.626 1.00 0.00 H ATOM 1662 HG LEU A 111 7.215 -7.893 12.802 1.00 0.00 H ATOM 1663 HD21 LEU A 111 5.456 -6.650 14.954 1.00 0.00 H ATOM 1664 HD22 LEU A 111 5.898 -8.370 14.824 1.00 0.00 H ATOM 1665 HD23 LEU A 111 7.151 -7.152 15.166 1.00 0.00 H ATOM 1666 HD11 LEU A 111 7.212 -5.698 11.758 1.00 0.00 H ATOM 1667 HD12 LEU A 111 6.267 -5.035 13.114 1.00 0.00 H ATOM 1668 HD13 LEU A 111 7.926 -5.621 13.387 1.00 0.00 H ATOM 1669 H LEU A 111 3.216 -8.164 10.881 1.00 0.00 H ATOM 1670 N GLN A 112 6.178 -9.518 10.201 1.00 24.32 N ATOM 1671 CA GLN A 112 7.227 -10.395 9.700 1.00 21.69 C ATOM 1672 C GLN A 112 7.624 -10.051 8.266 1.00 21.07 C ATOM 1673 O GLN A 112 8.795 -10.151 7.900 1.00 23.46 O ATOM 1674 CB GLN A 112 6.809 -11.862 9.811 1.00 25.25 C ATOM 1675 CG GLN A 112 6.699 -12.346 11.256 1.00 30.88 C ATOM 1676 CD GLN A 112 7.950 -12.052 12.073 1.00 51.66 C ATOM 1677 OE1 GLN A 112 9.075 -12.238 11.603 1.00 46.40 O ATOM 1678 NE2 GLN A 112 7.757 -11.583 13.304 1.00 47.26 N ATOM 1679 HA GLN A 112 8.106 -10.237 10.326 1.00 0.00 H ATOM 1680 HB2 GLN A 112 5.839 -11.984 9.329 1.00 0.00 H ATOM 1681 HB3 GLN A 112 7.549 -12.474 9.295 1.00 0.00 H ATOM 1682 HG2 GLN A 112 5.851 -11.849 11.726 1.00 0.00 H ATOM 1683 HG3 GLN A 112 6.531 -13.423 11.251 1.00 0.00 H ATOM 1684 HE22 GLN A 112 6.790 -11.441 13.661 1.00 0.00 H ATOM 1685 HE21 GLN A 112 8.573 -11.359 13.909 1.00 0.00 H ATOM 1686 H GLN A 112 5.259 -9.918 10.478 1.00 0.00 H ATOM 1687 N GLU A 113 6.647 -9.651 7.461 1.00 21.82 N ATOM 1688 CA GLU A 113 6.920 -9.255 6.084 1.00 19.94 C ATOM 1689 C GLU A 113 7.687 -7.940 6.072 1.00 20.91 C ATOM 1690 O GLU A 113 8.631 -7.768 5.300 1.00 19.99 O ATOM 1691 CB GLU A 113 5.622 -9.140 5.280 1.00 22.31 C ATOM 1692 CG GLU A 113 4.996 -10.492 4.942 1.00 21.59 C ATOM 1693 CD GLU A 113 3.729 -10.380 4.114 1.00 27.14 C ATOM 1694 OE1 GLU A 113 2.878 -9.518 4.416 1.00 23.99 O ATOM 1695 OE2 GLU A 113 3.584 -11.164 3.156 1.00 24.45 O ATOM 1696 HA GLU A 113 7.531 -10.023 5.611 1.00 0.00 H ATOM 1697 HB2 GLU A 113 4.904 -8.563 5.863 1.00 0.00 H ATOM 1698 HB3 GLU A 113 5.837 -8.616 4.349 1.00 0.00 H ATOM 1699 HG2 GLU A 113 5.724 -11.080 4.383 1.00 0.00 H ATOM 1700 HG3 GLU A 113 4.756 -11.004 5.874 1.00 0.00 H ATOM 1701 H GLU A 113 5.671 -9.619 7.818 1.00 0.00 H ATOM 1702 N GLN A 114 7.288 -7.021 6.943 1.00 21.68 N ATOM 1703 CA GLN A 114 7.979 -5.742 7.060 1.00 13.83 C ATOM 1704 C GLN A 114 9.446 -5.930 7.437 1.00 16.52 C ATOM 1705 O GLN A 114 10.340 -5.386 6.788 1.00 21.41 O ATOM 1706 CB GLN A 114 7.262 -4.836 8.055 1.00 21.25 C ATOM 1707 CG GLN A 114 5.853 -4.467 7.615 1.00 20.55 C ATOM 1708 CD GLN A 114 5.041 -3.862 8.732 1.00 19.14 C ATOM 1709 OE1 GLN A 114 5.593 -3.359 9.706 1.00 18.04 O ATOM 1710 NE2 GLN A 114 3.719 -3.924 8.608 1.00 23.44 N ATOM 1711 HA GLN A 114 7.959 -5.258 6.083 1.00 0.00 H ATOM 1712 HB2 GLN A 114 7.203 -5.351 9.014 1.00 0.00 H ATOM 1713 HB3 GLN A 114 7.841 -3.920 8.171 1.00 0.00 H ATOM 1714 HG2 GLN A 114 5.918 -3.747 6.800 1.00 0.00 H ATOM 1715 HG3 GLN A 114 5.349 -5.367 7.263 1.00 0.00 H ATOM 1716 HE22 GLN A 114 3.296 -4.360 7.764 1.00 0.00 H ATOM 1717 HE21 GLN A 114 3.108 -3.537 9.355 1.00 0.00 H ATOM 1718 H GLN A 114 6.468 -7.217 7.553 1.00 0.00 H ATOM 1719 N ILE A 115 9.694 -6.717 8.476 1.00 21.13 N ATOM 1720 CA ILE A 115 11.057 -7.054 8.851 1.00 20.60 C ATOM 1721 C ILE A 115 11.776 -7.722 7.678 1.00 21.30 C ATOM 1722 O ILE A 115 12.932 -7.414 7.381 1.00 21.44 O ATOM 1723 CB ILE A 115 11.067 -7.974 10.080 1.00 18.56 C ATOM 1724 CG1 ILE A 115 10.448 -7.245 11.277 1.00 17.30 C ATOM 1725 CG2 ILE A 115 12.483 -8.432 10.389 1.00 21.21 C ATOM 1726 CD1 ILE A 115 10.204 -8.134 12.482 1.00 21.26 C ATOM 1727 HA ILE A 115 11.584 -6.135 9.108 1.00 0.00 H ATOM 1728 HB ILE A 115 10.470 -8.861 9.869 1.00 0.00 H ATOM 1729 HG12 ILE A 115 11.121 -6.441 11.575 1.00 0.00 H ATOM 1730 HG13 ILE A 115 9.494 -6.821 10.964 1.00 0.00 H ATOM 1731 HD11 ILE A 115 9.522 -8.938 12.206 1.00 0.00 H ATOM 1732 HD12 ILE A 115 11.151 -8.558 12.817 1.00 0.00 H ATOM 1733 HD13 ILE A 115 9.765 -7.543 13.285 1.00 0.00 H ATOM 1734 HG21 ILE A 115 12.882 -8.977 9.534 1.00 0.00 H ATOM 1735 HG22 ILE A 115 13.109 -7.563 10.591 1.00 0.00 H ATOM 1736 HG23 ILE A 115 12.470 -9.083 11.263 1.00 0.00 H ATOM 1737 H ILE A 115 8.901 -7.098 9.030 1.00 0.00 H ATOM 1738 N GLY A 116 11.083 -8.631 7.002 1.00 23.66 N ATOM 1739 CA GLY A 116 11.643 -9.307 5.848 1.00 20.94 C ATOM 1740 C GLY A 116 12.147 -8.353 4.779 1.00 22.89 C ATOM 1741 O GLY A 116 13.269 -8.497 4.297 1.00 22.07 O ATOM 1742 HA3 GLY A 116 10.872 -9.941 5.410 1.00 0.00 H ATOM 1743 HA2 GLY A 116 12.476 -9.926 6.180 1.00 0.00 H ATOM 1744 H GLY A 116 10.116 -8.863 7.307 1.00 0.00 H ATOM 1745 N TRP A 117 11.323 -7.379 4.404 1.00 18.50 N ATOM 1746 CA TRP A 117 11.711 -6.422 3.368 1.00 17.11 C ATOM 1747 C TRP A 117 12.877 -5.547 3.822 1.00 16.22 C ATOM 1748 O TRP A 117 13.816 -5.304 3.065 1.00 19.00 O ATOM 1749 CB TRP A 117 10.528 -5.537 2.953 1.00 17.35 C ATOM 1750 CG TRP A 117 9.428 -6.266 2.257 1.00 13.10 C ATOM 1751 CD1 TRP A 117 9.555 -7.163 1.233 1.00 16.98 C ATOM 1752 CD2 TRP A 117 8.021 -6.152 2.517 1.00 18.81 C ATOM 1753 NE1 TRP A 117 8.316 -7.620 0.847 1.00 19.04 N ATOM 1754 CE2 TRP A 117 7.359 -7.020 1.624 1.00 20.00 C ATOM 1755 CE3 TRP A 117 7.259 -5.410 3.427 1.00 17.78 C ATOM 1756 CZ2 TRP A 117 5.971 -7.161 1.610 1.00 18.86 C ATOM 1757 CZ3 TRP A 117 5.880 -5.553 3.412 1.00 22.52 C ATOM 1758 CH2 TRP A 117 5.251 -6.420 2.506 1.00 23.49 C ATOM 1759 HA TRP A 117 12.031 -7.004 2.504 1.00 0.00 H ATOM 1760 HB2 TRP A 117 10.117 -5.074 3.850 1.00 0.00 H ATOM 1761 HB3 TRP A 117 10.900 -4.761 2.284 1.00 0.00 H ATOM 1762 HE1 TRP A 117 8.135 -8.309 0.089 1.00 0.00 H ATOM 1763 HD1 TRP A 117 10.501 -7.471 0.787 1.00 0.00 H ATOM 1764 HZ2 TRP A 117 5.479 -7.837 0.911 1.00 0.00 H ATOM 1765 HH2 TRP A 117 4.164 -6.505 2.516 1.00 0.00 H ATOM 1766 HZ3 TRP A 117 5.274 -4.982 4.116 1.00 0.00 H ATOM 1767 HE3 TRP A 117 7.740 -4.733 4.133 1.00 0.00 H ATOM 1768 H TRP A 117 10.389 -7.296 4.854 1.00 0.00 H ATOM 1769 N MET A 118 12.811 -5.074 5.063 1.00 20.79 N ATOM 1770 CA MET A 118 13.832 -4.177 5.594 1.00 18.04 C ATOM 1771 C MET A 118 15.204 -4.841 5.690 1.00 21.92 C ATOM 1772 O MET A 118 16.228 -4.158 5.638 1.00 19.35 O ATOM 1773 CB MET A 118 13.406 -3.629 6.963 1.00 17.54 C ATOM 1774 CG MET A 118 12.149 -2.769 6.903 1.00 17.64 C ATOM 1775 SD MET A 118 11.379 -2.450 8.499 1.00 20.50 S ATOM 1776 CE MET A 118 12.600 -1.414 9.303 1.00 20.65 C ATOM 1777 HA MET A 118 13.926 -3.351 4.889 1.00 0.00 H ATOM 1778 HB2 MET A 118 13.218 -4.471 7.630 1.00 0.00 H ATOM 1779 HB3 MET A 118 14.220 -3.025 7.363 1.00 0.00 H ATOM 1780 HG2 MET A 118 11.421 -3.275 6.269 1.00 0.00 H ATOM 1781 HG3 MET A 118 12.414 -1.811 6.456 1.00 0.00 H ATOM 1782 HE1 MET A 118 13.541 -1.959 9.384 1.00 0.00 H ATOM 1783 HE2 MET A 118 12.752 -0.510 8.714 1.00 0.00 H ATOM 1784 HE3 MET A 118 12.248 -1.145 10.299 1.00 0.00 H ATOM 1785 H MET A 118 12.013 -5.350 5.670 1.00 0.00 H ATOM 1786 N THR A 119 15.222 -6.168 5.818 1.00 22.34 N ATOM 1787 CA THR A 119 16.473 -6.910 6.000 1.00 26.40 C ATOM 1788 C THR A 119 16.823 -7.828 4.827 1.00 21.96 C ATOM 1789 O THR A 119 17.775 -8.604 4.904 1.00 24.89 O ATOM 1790 CB THR A 119 16.443 -7.764 7.284 1.00 20.87 C ATOM 1791 OG1 THR A 119 15.368 -8.711 7.208 1.00 23.67 O ATOM 1792 CG2 THR A 119 16.257 -6.883 8.509 1.00 24.27 C ATOM 1793 HA THR A 119 17.240 -6.139 6.069 1.00 0.00 H ATOM 1794 HB THR A 119 17.393 -8.291 7.373 1.00 0.00 H ATOM 1795 HG1 THR A 119 14.509 -8.227 7.114 1.00 0.00 H ATOM 1796 HG23 THR A 119 17.074 -6.164 8.565 1.00 0.00 H ATOM 1797 HG21 THR A 119 15.309 -6.351 8.432 1.00 0.00 H ATOM 1798 HG22 THR A 119 16.255 -7.504 9.405 1.00 0.00 H ATOM 1799 H THR A 119 14.324 -6.691 5.788 1.00 0.00 H ATOM 1800 N HIS A 120 16.051 -7.735 3.749 1.00 20.54 N ATOM 1801 CA HIS A 120 16.264 -8.550 2.551 1.00 20.62 C ATOM 1802 C HIS A 120 17.566 -8.183 1.835 1.00 22.71 C ATOM 1803 O HIS A 120 18.073 -7.067 1.973 1.00 22.31 O ATOM 1804 CB HIS A 120 15.074 -8.373 1.600 1.00 21.75 C ATOM 1805 CG HIS A 120 15.063 -9.327 0.443 1.00 21.32 C ATOM 1806 ND1 HIS A 120 15.636 -9.028 -0.774 1.00 23.89 N ATOM 1807 CD2 HIS A 120 14.527 -10.563 0.313 1.00 27.45 C ATOM 1808 CE1 HIS A 120 15.463 -10.045 -1.602 1.00 34.11 C ATOM 1809 NE2 HIS A 120 14.792 -10.988 -0.966 1.00 26.40 N ATOM 1810 HA HIS A 120 16.345 -9.592 2.860 1.00 0.00 H ATOM 1811 HB2 HIS A 120 14.156 -8.517 2.170 1.00 0.00 H ATOM 1812 HB3 HIS A 120 15.100 -7.357 1.205 1.00 0.00 H ATOM 1813 HD2 HIS A 120 13.986 -11.117 1.080 1.00 0.00 H ATOM 1814 HE1 HIS A 120 15.814 -10.096 -2.633 1.00 0.00 H ATOM 1815 H HIS A 120 15.264 -7.056 3.757 1.00 0.00 H ATOM 1816 N ASN A 121 18.106 -9.125 1.067 1.00 20.77 N ATOM 1817 CA ASN A 121 19.264 -8.850 0.225 1.00 22.87 C ATOM 1818 C ASN A 121 18.880 -8.918 -1.248 1.00 29.50 C ATOM 1819 O ASN A 121 18.769 -10.007 -1.808 1.00 26.74 O ATOM 1820 CB ASN A 121 20.384 -9.855 0.512 1.00 28.56 C ATOM 1821 CG ASN A 121 20.888 -9.775 1.941 1.00 27.85 C ATOM 1822 OD1 ASN A 121 20.642 -10.670 2.750 1.00 35.23 O ATOM 1823 ND2 ASN A 121 21.604 -8.704 2.256 1.00 27.12 N ATOM 1824 HA ASN A 121 19.620 -7.845 0.453 1.00 0.00 H ATOM 1825 HB2 ASN A 121 20.006 -10.861 0.331 1.00 0.00 H ATOM 1826 HB3 ASN A 121 21.215 -9.654 -0.163 1.00 0.00 H ATOM 1827 HD22 ASN A 121 21.787 -7.972 1.540 1.00 0.00 H ATOM 1828 HD21 ASN A 121 21.982 -8.596 3.219 1.00 0.00 H ATOM 1829 H ASN A 121 17.693 -10.079 1.067 1.00 0.00 H ATOM 1830 N PRO A 122 18.675 -7.757 -1.890 1.00 23.31 N ATOM 1831 CA PRO A 122 18.796 -6.396 -1.357 1.00 21.42 C ATOM 1832 C PRO A 122 17.510 -5.902 -0.692 1.00 22.36 C ATOM 1833 O PRO A 122 16.429 -6.427 -0.965 1.00 20.24 O ATOM 1834 CB PRO A 122 19.083 -5.575 -2.610 1.00 19.00 C ATOM 1835 CG PRO A 122 18.327 -6.285 -3.674 1.00 25.30 C ATOM 1836 CD PRO A 122 18.385 -7.750 -3.336 1.00 25.60 C ATOM 1837 HA PRO A 122 19.557 -6.327 -0.580 1.00 0.00 H ATOM 1838 HD3 PRO A 122 17.432 -8.237 -3.545 1.00 0.00 H ATOM 1839 HD2 PRO A 122 19.177 -8.248 -3.895 1.00 0.00 H ATOM 1840 HG3 PRO A 122 18.785 -6.104 -4.646 1.00 0.00 H ATOM 1841 HG2 PRO A 122 17.292 -5.943 -3.693 1.00 0.00 H ATOM 1842 HB2 PRO A 122 18.726 -4.552 -2.495 1.00 0.00 H ATOM 1843 HB3 PRO A 122 20.150 -5.563 -2.832 1.00 0.00 H ATOM 1844 N PRO A 123 17.624 -4.882 0.174 1.00 23.03 N ATOM 1845 CA PRO A 123 16.494 -4.453 0.999 1.00 22.23 C ATOM 1846 C PRO A 123 15.572 -3.441 0.328 1.00 17.53 C ATOM 1847 O PRO A 123 15.964 -2.743 -0.606 1.00 20.03 O ATOM 1848 CB PRO A 123 17.185 -3.781 2.185 1.00 20.94 C ATOM 1849 CG PRO A 123 18.404 -3.177 1.583 1.00 23.49 C ATOM 1850 CD PRO A 123 18.855 -4.146 0.507 1.00 25.88 C ATOM 1851 HA PRO A 123 15.848 -5.298 1.237 1.00 0.00 H ATOM 1852 HD3 PRO A 123 19.239 -3.613 -0.363 1.00 0.00 H ATOM 1853 HD2 PRO A 123 19.623 -4.820 0.886 1.00 0.00 H ATOM 1854 HG3 PRO A 123 19.182 -3.058 2.338 1.00 0.00 H ATOM 1855 HG2 PRO A 123 18.171 -2.206 1.147 1.00 0.00 H ATOM 1856 HB2 PRO A 123 16.547 -3.014 2.624 1.00 0.00 H ATOM 1857 HB3 PRO A 123 17.449 -4.513 2.948 1.00 0.00 H ATOM 1858 N ILE A 124 14.344 -3.372 0.826 1.00 19.16 N ATOM 1859 CA ILE A 124 13.442 -2.271 0.532 1.00 20.51 C ATOM 1860 C ILE A 124 13.080 -1.670 1.883 1.00 19.62 C ATOM 1861 O ILE A 124 12.394 -2.310 2.682 1.00 19.58 O ATOM 1862 CB ILE A 124 12.172 -2.760 -0.163 1.00 18.48 C ATOM 1863 CG1 ILE A 124 12.514 -3.366 -1.528 1.00 16.86 C ATOM 1864 CG2 ILE A 124 11.173 -1.616 -0.326 1.00 22.63 C ATOM 1865 CD1 ILE A 124 11.319 -3.954 -2.243 1.00 21.96 C ATOM 1866 HA ILE A 124 13.914 -1.552 -0.137 1.00 0.00 H ATOM 1867 HB ILE A 124 11.714 -3.530 0.458 1.00 0.00 H ATOM 1868 HG12 ILE A 124 12.942 -2.584 -2.156 1.00 0.00 H ATOM 1869 HG13 ILE A 124 13.251 -4.155 -1.381 1.00 0.00 H ATOM 1870 HD11 ILE A 124 10.886 -4.746 -1.633 1.00 0.00 H ATOM 1871 HD12 ILE A 124 10.576 -3.174 -2.408 1.00 0.00 H ATOM 1872 HD13 ILE A 124 11.636 -4.364 -3.202 1.00 0.00 H ATOM 1873 HG21 ILE A 124 10.910 -1.223 0.656 1.00 0.00 H ATOM 1874 HG22 ILE A 124 11.623 -0.825 -0.927 1.00 0.00 H ATOM 1875 HG23 ILE A 124 10.276 -1.986 -0.823 1.00 0.00 H ATOM 1876 H ILE A 124 14.014 -4.135 1.451 1.00 0.00 H ATOM 1877 N PRO A 125 13.567 -0.453 2.161 1.00 17.76 N ATOM 1878 CA PRO A 125 13.414 0.110 3.507 1.00 16.07 C ATOM 1879 C PRO A 125 12.000 0.621 3.725 1.00 19.83 C ATOM 1880 O PRO A 125 11.779 1.831 3.735 1.00 18.40 O ATOM 1881 CB PRO A 125 14.412 1.270 3.506 1.00 15.97 C ATOM 1882 CG PRO A 125 14.441 1.719 2.067 1.00 18.12 C ATOM 1883 CD PRO A 125 14.283 0.458 1.248 1.00 18.35 C ATOM 1884 HA PRO A 125 13.592 -0.617 4.299 1.00 0.00 H ATOM 1885 HD3 PRO A 125 13.699 0.648 0.348 1.00 0.00 H ATOM 1886 HD2 PRO A 125 15.254 0.049 0.970 1.00 0.00 H ATOM 1887 HG3 PRO A 125 15.389 2.206 1.838 1.00 0.00 H ATOM 1888 HG2 PRO A 125 13.622 2.409 1.866 1.00 0.00 H ATOM 1889 HB2 PRO A 125 14.072 2.075 4.158 1.00 0.00 H ATOM 1890 HB3 PRO A 125 15.398 0.935 3.828 1.00 0.00 H ATOM 1891 N VAL A 126 11.048 -0.292 3.903 1.00 18.50 N ATOM 1892 CA VAL A 126 9.638 0.095 3.918 1.00 17.96 C ATOM 1893 C VAL A 126 9.284 1.078 5.045 1.00 17.06 C ATOM 1894 O VAL A 126 8.398 1.923 4.889 1.00 19.53 O ATOM 1895 CB VAL A 126 8.703 -1.133 3.936 1.00 14.52 C ATOM 1896 CG1 VAL A 126 8.833 -1.929 2.628 1.00 17.93 C ATOM 1897 CG2 VAL A 126 8.988 -2.014 5.146 1.00 17.57 C ATOM 1898 HA VAL A 126 9.475 0.630 2.983 1.00 0.00 H ATOM 1899 HB VAL A 126 7.675 -0.781 4.017 1.00 0.00 H ATOM 1900 HG11 VAL A 126 8.563 -1.290 1.787 1.00 0.00 H ATOM 1901 HG12 VAL A 126 9.862 -2.269 2.512 1.00 0.00 H ATOM 1902 HG13 VAL A 126 8.166 -2.790 2.661 1.00 0.00 H ATOM 1903 HG21 VAL A 126 10.021 -2.359 5.107 1.00 0.00 H ATOM 1904 HG22 VAL A 126 8.830 -1.439 6.058 1.00 0.00 H ATOM 1905 HG23 VAL A 126 8.316 -2.872 5.135 1.00 0.00 H ATOM 1906 H VAL A 126 11.309 -1.290 4.033 1.00 0.00 H ATOM 1907 N GLY A 127 9.980 0.971 6.172 1.00 16.38 N ATOM 1908 CA GLY A 127 9.784 1.902 7.267 1.00 18.19 C ATOM 1909 C GLY A 127 10.171 3.314 6.865 1.00 17.42 C ATOM 1910 O GLY A 127 9.444 4.275 7.140 1.00 19.28 O ATOM 1911 HA3 GLY A 127 10.399 1.592 8.112 1.00 0.00 H ATOM 1912 HA2 GLY A 127 8.734 1.891 7.560 1.00 0.00 H ATOM 1913 H GLY A 127 10.678 0.206 6.271 1.00 0.00 H ATOM 1914 N GLU A 128 11.319 3.443 6.211 1.00 15.40 N ATOM 1915 CA GLU A 128 11.812 4.758 5.798 1.00 17.02 C ATOM 1916 C GLU A 128 10.927 5.378 4.727 1.00 23.30 C ATOM 1917 O GLU A 128 10.679 6.586 4.732 1.00 20.52 O ATOM 1918 CB GLU A 128 13.261 4.668 5.307 1.00 16.09 C ATOM 1919 CG GLU A 128 14.240 4.359 6.417 1.00 22.57 C ATOM 1920 CD GLU A 128 14.082 5.306 7.590 1.00 29.65 C ATOM 1921 OE1 GLU A 128 14.215 6.533 7.388 1.00 29.92 O ATOM 1922 OE2 GLU A 128 13.809 4.827 8.709 1.00 29.64 O ATOM 1923 HA GLU A 128 11.780 5.406 6.674 1.00 0.00 H ATOM 1924 HB2 GLU A 128 13.326 3.880 4.556 1.00 0.00 H ATOM 1925 HB3 GLU A 128 13.536 5.622 4.856 1.00 0.00 H ATOM 1926 HG2 GLU A 128 14.071 3.339 6.762 1.00 0.00 H ATOM 1927 HG3 GLU A 128 15.254 4.446 6.027 1.00 0.00 H ATOM 1928 H GLU A 128 11.878 2.595 5.988 1.00 0.00 H ATOM 1929 N ILE A 129 10.454 4.545 3.808 1.00 20.91 N ATOM 1930 CA ILE A 129 9.565 5.000 2.748 1.00 18.67 C ATOM 1931 C ILE A 129 8.236 5.485 3.329 1.00 18.74 C ATOM 1932 O ILE A 129 7.756 6.560 2.982 1.00 16.96 O ATOM 1933 CB ILE A 129 9.335 3.895 1.688 1.00 16.32 C ATOM 1934 CG1 ILE A 129 10.656 3.547 1.002 1.00 17.74 C ATOM 1935 CG2 ILE A 129 8.309 4.344 0.654 1.00 17.39 C ATOM 1936 CD1 ILE A 129 10.626 2.240 0.219 1.00 19.21 C ATOM 1937 HA ILE A 129 10.047 5.839 2.247 1.00 0.00 H ATOM 1938 HB ILE A 129 8.949 3.008 2.191 1.00 0.00 H ATOM 1939 HG12 ILE A 129 10.907 4.353 0.313 1.00 0.00 H ATOM 1940 HG13 ILE A 129 11.429 3.471 1.767 1.00 0.00 H ATOM 1941 HD11 ILE A 129 10.389 1.418 0.895 1.00 0.00 H ATOM 1942 HD12 ILE A 129 9.866 2.302 -0.560 1.00 0.00 H ATOM 1943 HD13 ILE A 129 11.601 2.068 -0.236 1.00 0.00 H ATOM 1944 HG21 ILE A 129 7.363 4.557 1.152 1.00 0.00 H ATOM 1945 HG22 ILE A 129 8.669 5.243 0.154 1.00 0.00 H ATOM 1946 HG23 ILE A 129 8.164 3.551 -0.080 1.00 0.00 H ATOM 1947 H ILE A 129 10.725 3.542 3.846 1.00 0.00 H ATOM 1948 N TYR A 130 7.649 4.697 4.224 1.00 17.87 N ATOM 1949 CA TYR A 130 6.390 5.075 4.854 1.00 19.36 C ATOM 1950 C TYR A 130 6.566 6.361 5.659 1.00 17.83 C ATOM 1951 O TYR A 130 5.686 7.225 5.680 1.00 18.49 O ATOM 1952 CB TYR A 130 5.902 3.947 5.765 1.00 17.30 C ATOM 1953 CG TYR A 130 4.492 4.105 6.289 1.00 16.40 C ATOM 1954 CD1 TYR A 130 3.533 4.821 5.580 1.00 19.94 C ATOM 1955 CD2 TYR A 130 4.118 3.525 7.496 1.00 15.14 C ATOM 1956 CE1 TYR A 130 2.240 4.957 6.063 1.00 21.74 C ATOM 1957 CE2 TYR A 130 2.834 3.653 7.983 1.00 17.72 C ATOM 1958 CZ TYR A 130 1.897 4.373 7.268 1.00 23.28 C ATOM 1959 OH TYR A 130 0.617 4.497 7.764 1.00 20.53 O ATOM 1960 HA TYR A 130 5.646 5.249 4.076 1.00 0.00 H ATOM 1961 HB3 TYR A 130 6.575 3.889 6.620 1.00 0.00 H ATOM 1962 HB2 TYR A 130 5.950 3.015 5.203 1.00 0.00 H ATOM 1963 HD2 TYR A 130 4.853 2.959 8.068 1.00 0.00 H ATOM 1964 HE2 TYR A 130 2.559 3.187 8.929 1.00 0.00 H ATOM 1965 HE1 TYR A 130 1.499 5.521 5.496 1.00 0.00 H ATOM 1966 HD1 TYR A 130 3.802 5.282 4.630 1.00 0.00 H ATOM 1967 HH TYR A 130 0.214 3.598 7.862 1.00 0.00 H ATOM 1968 H TYR A 130 8.096 3.794 4.480 1.00 0.00 H ATOM 1969 N LYS A 131 7.715 6.490 6.310 1.00 17.49 N ATOM 1970 CA LYS A 131 7.993 7.660 7.140 1.00 20.47 C ATOM 1971 C LYS A 131 8.010 8.913 6.269 1.00 20.71 C ATOM 1972 O LYS A 131 7.586 9.993 6.683 1.00 19.34 O ATOM 1973 CB LYS A 131 9.332 7.480 7.861 1.00 18.23 C ATOM 1974 CG LYS A 131 9.650 8.560 8.893 1.00 23.01 C ATOM 1975 CD LYS A 131 11.091 8.450 9.368 1.00 30.79 C ATOM 1976 CE LYS A 131 11.377 7.065 9.923 1.00 25.30 C ATOM 1977 NZ LYS A 131 12.795 6.904 10.352 1.00 28.97 N ATOM 1978 HA LYS A 131 7.211 7.769 7.891 1.00 0.00 H ATOM 1979 HB2 LYS A 131 9.317 6.517 8.371 1.00 0.00 H ATOM 1980 HB3 LYS A 131 10.124 7.481 7.112 1.00 0.00 H ATOM 1981 HG2 LYS A 131 9.496 9.541 8.443 1.00 0.00 H ATOM 1982 HG3 LYS A 131 8.983 8.445 9.747 1.00 0.00 H ATOM 1983 HD2 LYS A 131 11.759 8.643 8.529 1.00 0.00 H ATOM 1984 HD3 LYS A 131 11.267 9.190 10.148 1.00 0.00 H ATOM 1985 HE2 LYS A 131 11.159 6.327 9.151 1.00 0.00 H ATOM 1986 HE3 LYS A 131 10.730 6.892 10.783 1.00 0.00 H ATOM 1987 HZ1 LYS A 131 13.422 7.059 9.537 1.00 0.00 H ATOM 1988 HZ2 LYS A 131 13.012 7.599 11.095 1.00 0.00 H ATOM 1989 HZ3 LYS A 131 12.937 5.943 10.722 1.00 0.00 H ATOM 1990 H LYS A 131 8.433 5.742 6.228 1.00 0.00 H ATOM 1991 N ARG A 132 8.495 8.746 5.049 1.00 19.01 N ATOM 1992 CA ARG A 132 8.559 9.819 4.071 1.00 19.69 C ATOM 1993 C ARG A 132 7.151 10.322 3.743 1.00 23.40 C ATOM 1994 O ARG A 132 6.901 11.530 3.699 1.00 22.16 O ATOM 1995 CB ARG A 132 9.237 9.276 2.816 1.00 27.19 C ATOM 1996 CG ARG A 132 9.696 10.292 1.809 1.00 30.87 C ATOM 1997 CD ARG A 132 10.298 9.564 0.604 1.00 36.62 C ATOM 1998 NE ARG A 132 11.525 8.833 0.934 1.00 27.06 N ATOM 1999 CZ ARG A 132 11.979 7.782 0.251 1.00 30.75 C ATOM 2000 NH1 ARG A 132 11.301 7.321 -0.788 1.00 26.25 N ATOM 2001 NH2 ARG A 132 13.107 7.183 0.608 1.00 24.73 N ATOM 2002 HA ARG A 132 9.129 10.658 4.470 1.00 0.00 H ATOM 2003 HB2 ARG A 132 10.110 8.705 3.132 1.00 0.00 H ATOM 2004 HB3 ARG A 132 8.530 8.612 2.318 1.00 0.00 H ATOM 2005 HG2 ARG A 132 8.848 10.895 1.485 1.00 0.00 H ATOM 2006 HG3 ARG A 132 10.449 10.939 2.259 1.00 0.00 H ATOM 2007 HD2 ARG A 132 10.527 10.299 -0.168 1.00 0.00 H ATOM 2008 HD3 ARG A 132 9.563 8.856 0.222 1.00 0.00 H ATOM 2009 HE ARG A 132 12.077 9.155 1.754 1.00 0.00 H ATOM 2010 HH12 ARG A 132 11.657 6.501 -1.319 1.00 0.00 H ATOM 2011 HH11 ARG A 132 10.412 7.779 -1.073 1.00 0.00 H ATOM 2012 HH22 ARG A 132 13.454 6.364 0.069 1.00 0.00 H ATOM 2013 HH21 ARG A 132 13.645 7.533 1.427 1.00 0.00 H ATOM 2014 H ARG A 132 8.846 7.805 4.778 1.00 0.00 H ATOM 2015 N TRP A 133 6.235 9.386 3.514 1.00 18.03 N ATOM 2016 CA TRP A 133 4.847 9.720 3.205 1.00 16.68 C ATOM 2017 C TRP A 133 4.179 10.398 4.394 1.00 20.34 C ATOM 2018 O TRP A 133 3.412 11.347 4.229 1.00 19.03 O ATOM 2019 CB TRP A 133 4.051 8.470 2.833 1.00 18.41 C ATOM 2020 CG TRP A 133 4.628 7.678 1.707 1.00 20.09 C ATOM 2021 CD1 TRP A 133 5.640 8.051 0.872 1.00 20.17 C ATOM 2022 CD2 TRP A 133 4.227 6.366 1.295 1.00 22.14 C ATOM 2023 NE1 TRP A 133 5.894 7.050 -0.038 1.00 19.10 N ATOM 2024 CE2 TRP A 133 5.038 6.006 0.200 1.00 23.21 C ATOM 2025 CE3 TRP A 133 3.259 5.462 1.744 1.00 19.69 C ATOM 2026 CZ2 TRP A 133 4.911 4.782 -0.454 1.00 20.45 C ATOM 2027 CZ3 TRP A 133 3.134 4.244 1.091 1.00 18.06 C ATOM 2028 CH2 TRP A 133 3.956 3.917 0.006 1.00 21.38 C ATOM 2029 HA TRP A 133 4.858 10.403 2.355 1.00 0.00 H ATOM 2030 HB2 TRP A 133 3.999 7.826 3.711 1.00 0.00 H ATOM 2031 HB3 TRP A 133 3.044 8.779 2.551 1.00 0.00 H ATOM 2032 HE1 TRP A 133 6.617 7.081 -0.785 1.00 0.00 H ATOM 2033 HD1 TRP A 133 6.170 9.002 0.919 1.00 0.00 H ATOM 2034 HZ2 TRP A 133 5.548 4.524 -1.300 1.00 0.00 H ATOM 2035 HH2 TRP A 133 3.832 2.951 -0.484 1.00 0.00 H ATOM 2036 HZ3 TRP A 133 2.383 3.530 1.429 1.00 0.00 H ATOM 2037 HE3 TRP A 133 2.616 5.709 2.589 1.00 0.00 H ATOM 2038 H TRP A 133 6.515 8.385 3.556 1.00 0.00 H ATOM 2039 N ILE A 134 4.457 9.891 5.593 1.00 14.33 N ATOM 2040 CA ILE A 134 3.871 10.450 6.806 1.00 16.25 C ATOM 2041 C ILE A 134 4.344 11.880 7.010 1.00 20.36 C ATOM 2042 O ILE A 134 3.551 12.766 7.327 1.00 20.39 O ATOM 2043 CB ILE A 134 4.202 9.596 8.046 1.00 14.62 C ATOM 2044 CG1 ILE A 134 3.491 8.246 7.942 1.00 16.76 C ATOM 2045 CG2 ILE A 134 3.798 10.322 9.325 1.00 17.81 C ATOM 2046 CD1 ILE A 134 3.989 7.220 8.932 1.00 20.27 C ATOM 2047 HA ILE A 134 2.788 10.446 6.681 1.00 0.00 H ATOM 2048 HB ILE A 134 5.278 9.428 8.084 1.00 0.00 H ATOM 2049 HG12 ILE A 134 2.426 8.403 8.115 1.00 0.00 H ATOM 2050 HG13 ILE A 134 3.640 7.855 6.936 1.00 0.00 H ATOM 2051 HD11 ILE A 134 5.051 7.042 8.765 1.00 0.00 H ATOM 2052 HD12 ILE A 134 3.836 7.591 9.946 1.00 0.00 H ATOM 2053 HD13 ILE A 134 3.438 6.289 8.797 1.00 0.00 H ATOM 2054 HG21 ILE A 134 4.339 11.266 9.392 1.00 0.00 H ATOM 2055 HG22 ILE A 134 2.726 10.517 9.307 1.00 0.00 H ATOM 2056 HG23 ILE A 134 4.041 9.700 10.187 1.00 0.00 H ATOM 2057 H ILE A 134 5.105 9.081 5.666 1.00 0.00 H ATOM 2058 N ILE A 135 5.635 12.112 6.804 1.00 18.98 N ATOM 2059 CA ILE A 135 6.181 13.460 6.939 1.00 21.23 C ATOM 2060 C ILE A 135 5.579 14.434 5.919 1.00 23.18 C ATOM 2061 O ILE A 135 5.298 15.587 6.250 1.00 22.17 O ATOM 2062 CB ILE A 135 7.718 13.463 6.868 1.00 18.35 C ATOM 2063 CG1 ILE A 135 8.294 12.904 8.171 1.00 19.79 C ATOM 2064 CG2 ILE A 135 8.240 14.873 6.608 1.00 21.32 C ATOM 2065 CD1 ILE A 135 9.764 12.576 8.104 1.00 29.51 C ATOM 2066 HA ILE A 135 5.894 13.812 7.930 1.00 0.00 H ATOM 2067 HB ILE A 135 8.037 12.829 6.041 1.00 0.00 H ATOM 2068 HG12 ILE A 135 8.144 13.644 8.957 1.00 0.00 H ATOM 2069 HG13 ILE A 135 7.751 11.993 8.423 1.00 0.00 H ATOM 2070 HD11 ILE A 135 9.933 11.827 7.331 1.00 0.00 H ATOM 2071 HD12 ILE A 135 10.326 13.479 7.866 1.00 0.00 H ATOM 2072 HD13 ILE A 135 10.092 12.186 9.067 1.00 0.00 H ATOM 2073 HG21 ILE A 135 7.841 15.238 5.662 1.00 0.00 H ATOM 2074 HG22 ILE A 135 7.922 15.532 7.416 1.00 0.00 H ATOM 2075 HG23 ILE A 135 9.329 14.853 6.561 1.00 0.00 H ATOM 2076 H ILE A 135 6.264 11.326 6.544 1.00 0.00 H ATOM 2077 N LEU A 136 5.373 13.974 4.688 1.00 18.95 N ATOM 2078 CA LEU A 136 4.638 14.773 3.706 1.00 18.85 C ATOM 2079 C LEU A 136 3.268 15.145 4.261 1.00 21.43 C ATOM 2080 O LEU A 136 2.833 16.291 4.146 1.00 21.75 O ATOM 2081 CB LEU A 136 4.483 14.016 2.383 1.00 17.83 C ATOM 2082 CG LEU A 136 5.725 13.901 1.499 1.00 25.07 C ATOM 2083 CD1 LEU A 136 5.444 13.011 0.297 1.00 26.04 C ATOM 2084 CD2 LEU A 136 6.184 15.280 1.044 1.00 29.75 C ATOM 2085 HA LEU A 136 5.207 15.682 3.510 1.00 0.00 H ATOM 2086 HB2 LEU A 136 4.153 13.005 2.619 1.00 0.00 H ATOM 2087 HB3 LEU A 136 3.712 14.522 1.803 1.00 0.00 H ATOM 2088 HG LEU A 136 6.524 13.446 2.085 1.00 0.00 H ATOM 2089 HD21 LEU A 136 5.386 15.758 0.475 1.00 0.00 H ATOM 2090 HD22 LEU A 136 6.424 15.888 1.916 1.00 0.00 H ATOM 2091 HD23 LEU A 136 7.069 15.178 0.416 1.00 0.00 H ATOM 2092 HD11 LEU A 136 5.161 12.016 0.641 1.00 0.00 H ATOM 2093 HD12 LEU A 136 4.631 13.440 -0.289 1.00 0.00 H ATOM 2094 HD13 LEU A 136 6.340 12.942 -0.320 1.00 0.00 H ATOM 2095 H LEU A 136 5.738 13.037 4.421 1.00 0.00 H ATOM 2096 N GLY A 137 2.596 14.171 4.872 1.00 19.64 N ATOM 2097 CA GLY A 137 1.300 14.408 5.487 1.00 19.37 C ATOM 2098 C GLY A 137 1.392 15.414 6.618 1.00 22.38 C ATOM 2099 O GLY A 137 0.572 16.329 6.718 1.00 21.25 O ATOM 2100 HA3 GLY A 137 0.918 13.466 5.881 1.00 0.00 H ATOM 2101 HA2 GLY A 137 0.614 14.788 4.730 1.00 0.00 H ATOM 2102 H GLY A 137 3.009 13.217 4.910 1.00 0.00 H ATOM 2103 N LEU A 138 2.397 15.255 7.473 1.00 19.28 N ATOM 2104 CA LEU A 138 2.584 16.172 8.591 1.00 17.77 C ATOM 2105 C LEU A 138 2.822 17.597 8.097 1.00 22.22 C ATOM 2106 O LEU A 138 2.325 18.550 8.691 1.00 20.42 O ATOM 2107 CB LEU A 138 3.725 15.712 9.501 1.00 20.26 C ATOM 2108 CG LEU A 138 3.441 14.450 10.324 1.00 19.99 C ATOM 2109 CD1 LEU A 138 4.689 14.003 11.062 1.00 21.34 C ATOM 2110 CD2 LEU A 138 2.306 14.697 11.299 1.00 24.65 C ATOM 2111 HA LEU A 138 1.666 16.168 9.179 1.00 0.00 H ATOM 2112 HB2 LEU A 138 4.597 15.517 8.876 1.00 0.00 H ATOM 2113 HB3 LEU A 138 3.950 16.522 10.194 1.00 0.00 H ATOM 2114 HG LEU A 138 3.142 13.654 9.642 1.00 0.00 H ATOM 2115 HD21 LEU A 138 2.579 15.507 11.975 1.00 0.00 H ATOM 2116 HD22 LEU A 138 1.407 14.970 10.746 1.00 0.00 H ATOM 2117 HD23 LEU A 138 2.119 13.790 11.874 1.00 0.00 H ATOM 2118 HD11 LEU A 138 5.478 13.786 10.341 1.00 0.00 H ATOM 2119 HD12 LEU A 138 5.017 14.797 11.733 1.00 0.00 H ATOM 2120 HD13 LEU A 138 4.466 13.106 11.640 1.00 0.00 H ATOM 2121 H LEU A 138 3.060 14.464 7.343 1.00 0.00 H ATOM 2122 N ASN A 139 3.574 17.741 7.010 1.00 22.06 N ATOM 2123 CA ASN A 139 3.794 19.063 6.424 1.00 23.50 C ATOM 2124 C ASN A 139 2.495 19.697 5.935 1.00 20.89 C ATOM 2125 O ASN A 139 2.272 20.892 6.132 1.00 23.08 O ATOM 2126 CB ASN A 139 4.836 19.011 5.302 1.00 22.06 C ATOM 2127 CG ASN A 139 6.255 19.113 5.828 1.00 31.85 C ATOM 2128 OD1 ASN A 139 6.690 20.181 6.264 1.00 40.55 O ATOM 2129 ND2 ASN A 139 6.983 18.005 5.793 1.00 32.95 N ATOM 2130 HA ASN A 139 4.186 19.699 7.218 1.00 0.00 H ATOM 2131 HB2 ASN A 139 4.728 18.068 4.766 1.00 0.00 H ATOM 2132 HB3 ASN A 139 4.655 19.839 4.617 1.00 0.00 H ATOM 2133 HD22 ASN A 139 6.574 17.126 5.416 1.00 0.00 H ATOM 2134 HD21 ASN A 139 7.963 18.015 6.142 1.00 0.00 H ATOM 2135 H ASN A 139 4.010 16.905 6.572 1.00 0.00 H ATOM 2136 N LYS A 140 1.635 18.893 5.316 1.00 20.07 N ATOM 2137 CA LYS A 140 0.320 19.365 4.885 1.00 21.82 C ATOM 2138 C LYS A 140 -0.494 19.871 6.072 1.00 24.22 C ATOM 2139 O LYS A 140 -1.155 20.908 5.989 1.00 22.51 O ATOM 2140 CB LYS A 140 -0.463 18.239 4.208 1.00 22.73 C ATOM 2141 CG LYS A 140 -0.209 18.025 2.730 1.00 36.55 C ATOM 2142 CD LYS A 140 -1.329 17.155 2.172 1.00 31.14 C ATOM 2143 CE LYS A 140 -0.981 16.511 0.844 1.00 35.31 C ATOM 2144 NZ LYS A 140 -2.046 15.535 0.455 1.00 27.34 N ATOM 2145 HA LYS A 140 0.484 20.179 4.179 1.00 0.00 H ATOM 2146 HB2 LYS A 140 -0.218 17.310 4.723 1.00 0.00 H ATOM 2147 HB3 LYS A 140 -1.524 18.453 4.333 1.00 0.00 H ATOM 2148 HG2 LYS A 140 -0.197 18.986 2.215 1.00 0.00 H ATOM 2149 HG3 LYS A 140 0.750 17.527 2.589 1.00 0.00 H ATOM 2150 HD2 LYS A 140 -1.548 16.367 2.893 1.00 0.00 H ATOM 2151 HD3 LYS A 140 -2.214 17.776 2.035 1.00 0.00 H ATOM 2152 HE2 LYS A 140 -0.028 15.989 0.934 1.00 0.00 H ATOM 2153 HE3 LYS A 140 -0.901 17.283 0.078 1.00 0.00 H ATOM 2154 HZ1 LYS A 140 -2.122 14.798 1.184 1.00 0.00 H ATOM 2155 HZ2 LYS A 140 -2.955 16.032 0.367 1.00 0.00 H ATOM 2156 HZ3 LYS A 140 -1.799 15.099 -0.456 1.00 0.00 H ATOM 2157 H LYS A 140 1.904 17.905 5.134 1.00 0.00 H ATOM 2158 N ILE A 141 -0.454 19.118 7.170 1.00 17.36 N ATOM 2159 CA ILE A 141 -1.211 19.443 8.375 1.00 19.78 C ATOM 2160 C ILE A 141 -0.681 20.724 9.016 1.00 17.74 C ATOM 2161 O ILE A 141 -1.450 21.585 9.442 1.00 23.82 O ATOM 2162 CB ILE A 141 -1.144 18.286 9.394 1.00 17.69 C ATOM 2163 CG1 ILE A 141 -1.811 17.036 8.812 1.00 24.33 C ATOM 2164 CG2 ILE A 141 -1.788 18.689 10.714 1.00 21.51 C ATOM 2165 CD1 ILE A 141 -1.611 15.780 9.653 1.00 23.63 C ATOM 2166 HA ILE A 141 -2.250 19.596 8.084 1.00 0.00 H ATOM 2167 HB ILE A 141 -0.098 18.056 9.595 1.00 0.00 H ATOM 2168 HG12 ILE A 141 -2.881 17.226 8.727 1.00 0.00 H ATOM 2169 HG13 ILE A 141 -1.396 16.855 7.821 1.00 0.00 H ATOM 2170 HD11 ILE A 141 -0.545 15.567 9.739 1.00 0.00 H ATOM 2171 HD12 ILE A 141 -2.032 15.938 10.646 1.00 0.00 H ATOM 2172 HD13 ILE A 141 -2.113 14.940 9.174 1.00 0.00 H ATOM 2173 HG21 ILE A 141 -1.262 19.551 11.125 1.00 0.00 H ATOM 2174 HG22 ILE A 141 -2.833 18.947 10.543 1.00 0.00 H ATOM 2175 HG23 ILE A 141 -1.728 17.857 11.415 1.00 0.00 H ATOM 2176 H ILE A 141 0.140 18.265 7.169 1.00 0.00 H ATOM 2177 N VAL A 142 0.640 20.844 9.068 1.00 20.03 N ATOM 2178 CA VAL A 142 1.277 22.040 9.600 1.00 20.02 C ATOM 2179 C VAL A 142 0.907 23.278 8.786 1.00 24.31 C ATOM 2180 O VAL A 142 0.665 24.342 9.353 1.00 21.03 O ATOM 2181 CB VAL A 142 2.805 21.883 9.661 1.00 21.68 C ATOM 2182 CG1 VAL A 142 3.461 23.193 10.068 1.00 26.04 C ATOM 2183 CG2 VAL A 142 3.170 20.777 10.636 1.00 25.34 C ATOM 2184 HA VAL A 142 0.905 22.174 10.616 1.00 0.00 H ATOM 2185 HB VAL A 142 3.172 21.615 8.670 1.00 0.00 H ATOM 2186 HG11 VAL A 142 3.213 23.964 9.338 1.00 0.00 H ATOM 2187 HG12 VAL A 142 3.096 23.491 11.051 1.00 0.00 H ATOM 2188 HG13 VAL A 142 4.542 23.060 10.105 1.00 0.00 H ATOM 2189 HG21 VAL A 142 2.793 21.029 11.627 1.00 0.00 H ATOM 2190 HG22 VAL A 142 2.724 19.840 10.304 1.00 0.00 H ATOM 2191 HG23 VAL A 142 4.254 20.671 10.674 1.00 0.00 H ATOM 2192 H VAL A 142 1.234 20.065 8.720 1.00 0.00 H ATOM 2193 N ARG A 143 0.859 23.141 7.463 1.00 20.60 N ATOM 2194 CA ARG A 143 0.433 24.248 6.606 1.00 18.73 C ATOM 2195 C ARG A 143 -1.021 24.609 6.877 1.00 20.50 C ATOM 2196 O ARG A 143 -1.382 25.782 6.932 1.00 20.77 O ATOM 2197 CB ARG A 143 0.579 23.898 5.121 1.00 24.56 C ATOM 2198 CG ARG A 143 1.985 23.972 4.564 1.00 37.13 C ATOM 2199 CD ARG A 143 1.935 23.972 3.040 1.00 39.50 C ATOM 2200 NE ARG A 143 0.915 23.056 2.532 1.00 45.42 N ATOM 2201 CZ ARG A 143 0.693 22.814 1.244 1.00 48.73 C ATOM 2202 NH1 ARG A 143 1.420 23.421 0.314 1.00 50.01 N ATOM 2203 NH2 ARG A 143 -0.258 21.963 0.883 1.00 40.62 N ATOM 2204 HA ARG A 143 1.078 25.096 6.839 1.00 0.00 H ATOM 2205 HB2 ARG A 143 0.215 22.880 4.979 1.00 0.00 H ATOM 2206 HB3 ARG A 143 -0.044 24.588 4.551 1.00 0.00 H ATOM 2207 HG2 ARG A 143 2.465 24.887 4.911 1.00 0.00 H ATOM 2208 HG3 ARG A 143 2.557 23.110 4.908 1.00 0.00 H ATOM 2209 HD2 ARG A 143 2.908 23.667 2.654 1.00 0.00 H ATOM 2210 HD3 ARG A 143 1.708 24.980 2.694 1.00 0.00 H ATOM 2211 HE ARG A 143 0.322 22.559 3.227 1.00 0.00 H ATOM 2212 HH12 ARG A 143 1.243 23.228 -0.693 1.00 0.00 H ATOM 2213 HH11 ARG A 143 2.167 24.089 0.592 1.00 0.00 H ATOM 2214 HH22 ARG A 143 -0.431 21.774 -0.125 1.00 0.00 H ATOM 2215 HH21 ARG A 143 -0.830 21.485 1.608 1.00 0.00 H ATOM 2216 H ARG A 143 1.128 22.234 7.032 1.00 0.00 H ATOM 2217 N MET A 144 -1.857 23.591 7.036 1.00 18.80 N ATOM 2218 CA MET A 144 -3.289 23.798 7.220 1.00 18.74 C ATOM 2219 C MET A 144 -3.581 24.650 8.446 1.00 21.95 C ATOM 2220 O MET A 144 -4.481 25.496 8.436 1.00 21.86 O ATOM 2221 CB MET A 144 -4.007 22.450 7.345 1.00 19.06 C ATOM 2222 CG MET A 144 -5.464 22.564 7.775 1.00 18.46 C ATOM 2223 SD MET A 144 -6.360 21.003 7.664 1.00 22.27 S ATOM 2224 CE MET A 144 -5.414 19.974 8.791 1.00 24.57 C ATOM 2225 HA MET A 144 -3.659 24.330 6.343 1.00 0.00 H ATOM 2226 HB2 MET A 144 -3.973 21.952 6.376 1.00 0.00 H ATOM 2227 HB3 MET A 144 -3.478 21.846 8.082 1.00 0.00 H ATOM 2228 HG2 MET A 144 -5.959 23.294 7.135 1.00 0.00 H ATOM 2229 HG3 MET A 144 -5.495 22.909 8.808 1.00 0.00 H ATOM 2230 HE1 MET A 144 -4.383 19.908 8.442 1.00 0.00 H ATOM 2231 HE2 MET A 144 -5.434 20.415 9.788 1.00 0.00 H ATOM 2232 HE3 MET A 144 -5.852 18.977 8.825 1.00 0.00 H ATOM 2233 H MET A 144 -1.482 22.621 7.029 1.00 0.00 H ATOM 2234 N TYR A 145 -2.806 24.418 9.498 1.00 17.97 N ATOM 2235 CA TYR A 145 -3.028 25.057 10.784 1.00 18.67 C ATOM 2236 C TYR A 145 -2.107 26.254 11.010 1.00 22.14 C ATOM 2237 O TYR A 145 -2.077 26.821 12.101 1.00 22.44 O ATOM 2238 CB TYR A 145 -2.801 24.041 11.902 1.00 19.81 C ATOM 2239 CG TYR A 145 -3.854 22.962 11.988 1.00 21.94 C ATOM 2240 CD1 TYR A 145 -3.513 21.662 12.351 1.00 21.34 C ATOM 2241 CD2 TYR A 145 -5.188 23.239 11.725 1.00 24.49 C ATOM 2242 CE1 TYR A 145 -4.469 20.674 12.441 1.00 22.78 C ATOM 2243 CE2 TYR A 145 -6.154 22.250 11.815 1.00 24.06 C ATOM 2244 CZ TYR A 145 -5.787 20.972 12.171 1.00 23.29 C ATOM 2245 OH TYR A 145 -6.743 19.986 12.266 1.00 25.58 O ATOM 2246 HA TYR A 145 -4.055 25.422 10.790 1.00 0.00 H ATOM 2247 HB3 TYR A 145 -2.783 24.577 12.851 1.00 0.00 H ATOM 2248 HB2 TYR A 145 -1.835 23.563 11.738 1.00 0.00 H ATOM 2249 HD2 TYR A 145 -5.480 24.251 11.443 1.00 0.00 H ATOM 2250 HE2 TYR A 145 -7.198 22.482 11.605 1.00 0.00 H ATOM 2251 HE1 TYR A 145 -4.184 19.661 12.725 1.00 0.00 H ATOM 2252 HD1 TYR A 145 -2.472 21.422 12.568 1.00 0.00 H ATOM 2253 HH TYR A 145 -6.312 19.135 12.530 1.00 0.00 H ATOM 2254 H TYR A 145 -2.011 23.755 9.398 1.00 0.00 H ATOM 2255 N SER A 146 -1.354 26.627 9.983 1.00 25.01 N ATOM 2256 CA SER A 146 -0.355 27.681 10.118 1.00 24.78 C ATOM 2257 C SER A 146 -0.982 29.061 10.273 1.00 37.73 C ATOM 2258 O SER A 146 -0.290 30.010 10.643 1.00 30.79 O ATOM 2259 CB SER A 146 0.599 27.674 8.923 1.00 22.89 C ATOM 2260 OG SER A 146 -0.094 27.946 7.716 1.00 26.56 O ATOM 2261 HA SER A 146 0.203 27.470 11.030 1.00 0.00 H ATOM 2262 OXT SER A 146 -2.174 29.260 10.034 1.00 24.30 O ATOM 2263 HB2 SER A 146 1.071 26.694 8.850 1.00 0.00 H ATOM 2264 HB3 SER A 146 1.365 28.435 9.074 1.00 0.00 H ATOM 2265 HG SER A 146 -0.788 27.255 7.572 1.00 0.00 H ATOM 2266 H SER A 146 -1.479 26.158 9.063 1.00 0.00 H TER 2267 SER A 146 HETATM 2268 O HOH 1 12.900 0.971 6.687 1.00 16.76 O HETATM 2269 O HOH 2 17.180 -3.008 -3.075 1.00 19.23 O HETATM 2270 O HOH 3 6.941 -2.611 -5.457 1.00 21.32 O HETATM 2271 O HOH 4 13.036 2.295 9.233 1.00 21.68 O HETATM 2272 O HOH 5 12.473 8.407 5.575 1.00 21.79 O HETATM 2273 O HOH 6 -4.456 28.048 9.592 1.00 22.26 O HETATM 2274 O HOH 7 9.605 -2.378 -8.667 1.00 22.63 O HETATM 2275 O HOH 8 3.250 -8.804 -3.447 1.00 22.35 O HETATM 2276 O HOH 9 18.346 -0.757 -3.465 1.00 23.13 O HETATM 2277 O HOH 10 3.186 -1.801 -6.108 1.00 24.44 O HETATM 2278 O HOH 11 7.250 -3.092 14.959 1.00 24.31 O HETATM 2279 O HOH 12 9.049 -3.936 -6.624 1.00 24.39 O HETATM 2280 O HOH 13 16.199 -1.636 4.658 1.00 25.02 O HETATM 2281 O HOH 14 -1.337 -0.313 -2.521 1.00 26.00 O HETATM 2282 O HOH 15 1.364 -3.481 10.296 1.00 26.34 O HETATM 2283 O HOH 16 -3.606 4.190 -2.671 1.00 26.61 O HETATM 2284 O HOH 17 -6.885 11.915 -3.184 1.00 26.39 O HETATM 2285 O HOH 18 -1.016 9.691 -6.199 1.00 27.04 O HETATM 2286 O HOH 19 15.373 -0.168 6.630 1.00 27.32 O HETATM 2287 O HOH 20 1.044 24.982 12.019 1.00 27.39 O HETATM 2288 O HOH 21 8.827 13.545 3.418 1.00 27.74 O HETATM 2289 O HOH 22 -10.159 17.377 14.174 1.00 28.08 O HETATM 2290 O HOH 23 -1.553 3.822 -8.966 1.00 28.31 O HETATM 2291 O HOH 24 11.864 10.799 6.469 1.00 28.76 O HETATM 2292 O HOH 25 11.316 12.907 4.586 1.00 28.67 O HETATM 2293 O HOH 26 1.706 -8.405 11.926 1.00 28.80 O HETATM 2294 O HOH 27 -7.320 17.558 13.834 1.00 28.91 O HETATM 2295 O HOH 28 6.146 -10.167 -5.790 1.00 29.37 O HETATM 2296 O HOH 29 5.233 -13.246 2.586 1.00 29.68 O HETATM 2297 O HOH 30 4.059 -13.016 7.351 1.00 29.49 O HETATM 2298 O HOH 31 7.918 -2.837 -10.861 1.00 29.39 O HETATM 2299 O HOH 32 4.023 -10.755 11.803 1.00 30.39 O HETATM 2300 O HOH 33 17.132 -0.120 -1.127 1.00 30.05 O HETATM 2301 O HOH 34 14.242 -8.857 -9.279 1.00 30.09 O HETATM 2302 O HOH 35 -0.279 8.449 -8.738 1.00 30.03 O HETATM 2303 O HOH 36 6.625 -13.693 0.359 1.00 30.42 O HETATM 2304 O HOH 37 12.169 -9.390 -7.595 1.00 30.83 O HETATM 2305 O HOH 38 3.227 -15.050 11.661 1.00 31.66 O HETATM 2306 O HOH 39 11.561 6.469 -4.710 1.00 31.46 O HETATM 2307 O HOH 40 4.696 -15.375 9.099 1.00 31.44 O HETATM 2308 O HOH 41 4.271 -1.322 17.122 1.00 31.85 O HETATM 2309 O HOH 42 -2.600 3.361 1.164 1.00 31.84 O HETATM 2310 O HOH 43 0.166 -10.412 4.225 1.00 31.73 O HETATM 2311 O HOH 44 15.790 5.150 10.636 1.00 32.34 O HETATM 2312 O HOH 45 14.901 15.164 13.933 1.00 32.46 O HETATM 2313 O HOH 46 -9.000 21.838 9.360 1.00 32.91 O HETATM 2314 O HOH 47 5.408 7.518 -3.536 1.00 32.18 O HETATM 2315 O HOH 48 7.005 10.429 -0.957 1.00 32.95 O HETATM 2316 O HOH 49 -4.821 16.202 -2.741 1.00 32.33 O HETATM 2317 O HOH 50 7.936 15.067 23.800 1.00 32.95 O HETATM 2318 O HOH 51 17.823 1.769 0.690 1.00 33.38 O HETATM 2319 O HOH 52 13.408 11.963 2.998 1.00 32.87 O HETATM 2320 O HOH 53 0.183 -1.546 11.599 1.00 32.69 O HETATM 2321 O HOH 54 -11.764 19.477 13.297 1.00 32.87 O HETATM 2322 O HOH 55 2.450 -12.686 11.200 1.00 33.13 O HETATM 2323 O HOH 56 16.271 4.116 0.287 1.00 33.33 O HETATM 2324 O HOH 57 1.488 -3.345 -7.645 1.00 33.18 O HETATM 2325 O HOH 58 -4.193 14.789 2.469 1.00 33.43 O HETATM 2326 O HOH 59 11.240 -2.200 -14.019 1.00 33.37 O HETATM 2327 O HOH 60 -0.483 32.520 10.964 1.00 33.84 O HETATM 2328 O HOH 61 8.356 7.856 -1.876 1.00 33.50 O HETATM 2329 O HOH 62 8.778 9.792 27.132 1.00 34.10 O HETATM 2330 O HOH 63 1.401 24.586 22.017 1.00 34.05 O HETATM 2331 O HOH 64 3.270 17.938 2.045 1.00 34.08 O HETATM 2332 O HOH 65 19.873 -5.826 3.939 1.00 34.59 O HETATM 2333 O HOH 66 -3.191 1.514 2.899 1.00 34.69 O HETATM 2334 O HOH 67 18.031 0.135 3.414 1.00 34.63 O HETATM 2335 O HOH 68 -2.776 8.459 23.227 1.00 34.88 O HETATM 2336 O HOH 69 -3.166 1.775 -1.279 1.00 34.42 O HETATM 2337 O HOH 70 -13.112 21.254 14.930 1.00 35.03 O HETATM 2338 O HOH 71 0.217 -0.845 14.460 1.00 35.51 O HETATM 2339 O HOH 72 5.722 18.687 1.713 1.00 35.59 O HETATM 2340 O HOH 73 13.951 -9.045 -11.862 1.00 35.96 O HETATM 2341 O HOH 74 5.591 10.975 -4.591 1.00 36.03 O HETATM 2342 O HOH 75 0.052 25.511 14.491 1.00 35.73 O HETATM 2343 O HOH 76 12.957 11.433 8.827 1.00 36.55 O HETATM 2344 O HOH 77 0.217 13.315 -1.276 1.00 36.11 O HETATM 2345 O HOH 78 8.351 16.270 3.253 1.00 36.24 O HETATM 2346 O HOH 79 17.841 -9.604 -7.756 1.00 36.70 O HETATM 2347 O HOH 80 18.357 -12.511 -2.122 1.00 36.58 O HETATM 2348 O HOH 81 2.289 1.744 -13.712 1.00 36.53 O HETATM 2349 O HOH 82 14.823 -11.034 4.583 1.00 36.72 O HETATM 2350 O HOH 83 9.125 21.616 10.741 1.00 37.60 O HETATM 2351 O HOH 84 7.108 12.022 27.341 1.00 37.40 O HETATM 2352 O HOH 85 12.049 15.088 6.389 1.00 37.13 O HETATM 2353 O HOH 86 14.078 6.977 17.425 1.00 37.13 O HETATM 2354 O HOH 87 11.879 0.197 21.335 1.00 37.17 O HETATM 2355 O HOH 88 2.115 6.091 -15.547 1.00 37.81 O HETATM 2356 O HOH 89 -10.782 7.712 -0.659 1.00 37.60 O HETATM 2357 O HOH 90 10.791 19.204 17.854 1.00 36.67 O HETATM 2358 O HOH 91 -1.786 -9.624 5.968 1.00 38.53 O HETATM 2359 O HOH 92 5.882 -4.961 17.733 1.00 38.48 O HETATM 2360 O HOH 93 10.728 -11.942 8.711 1.00 38.49 O HETATM 2361 O HOH 94 -9.833 21.165 11.748 1.00 38.34 O HETATM 2362 O HOH 95 4.688 22.797 6.428 1.00 38.59 O HETATM 2363 O HOH 96 -8.160 8.066 -0.767 1.00 38.46 O HETATM 2364 O HOH 97 6.868 10.549 -8.454 1.00 38.57 O HETATM 2365 O HOH 98 11.020 2.646 20.401 1.00 39.15 O HETATM 2366 O HOH 99 0.719 -5.865 11.557 1.00 38.32 O HETATM 2367 O HOH 100 -11.893 23.670 13.381 1.00 39.45 O HETATM 2368 O HOH 101 9.768 18.732 6.746 1.00 39.40 O HETATM 2369 O HOH 102 3.338 -10.757 -5.474 1.00 40.00 O HETATM 2370 O HOH 103 12.893 -12.374 -2.839 1.00 39.46 O HETATM 2371 O HOH 104 9.036 9.607 29.779 1.00 40.07 O HETATM 2372 O HOH 105 15.469 1.212 9.559 1.00 39.43 O HETATM 2373 O HOH 106 -12.812 10.800 11.630 1.00 39.91 O HETATM 2374 O HOH 107 13.979 9.180 11.379 1.00 39.71 O HETATM 2375 O HOH 108 17.437 -11.903 1.529 1.00 39.89 O HETATM 2376 O HOH 109 15.662 -11.180 -8.750 1.00 40.07 O HETATM 2377 O HOH 110 16.299 -2.102 8.935 1.00 40.12 O HETATM 2378 O HOH 111 -10.206 10.759 11.577 1.00 40.26 O HETATM 2379 O HOH 112 15.705 -13.490 -4.235 1.00 40.64 O HETATM 2380 O HOH 113 15.477 13.202 3.930 1.00 40.62 O HETATM 2381 O HOH 114 2.940 20.830 2.384 1.00 40.50 O HETATM 2382 O HOH 115 15.074 -11.169 -5.355 1.00 40.95 O HETATM 2383 O HOH 116 6.945 -13.270 6.364 1.00 40.97 O HETATM 2384 O HOH 117 18.611 -3.698 8.089 1.00 41.66 O HETATM 2385 O HOH 118 12.381 16.007 10.055 1.00 41.77 O HETATM 2386 O HOH 119 17.849 1.619 14.401 1.00 41.67 O HETATM 2387 O HOH 120 14.781 -9.555 14.275 1.00 41.62 O HETATM 2388 O HOH 121 17.195 -0.540 10.868 1.00 41.98 O HETATM 2389 O HOH 122 -0.769 -4.933 9.232 1.00 41.73 O HETATM 2390 O HOH 123 7.597 17.707 23.323 1.00 42.61 O HETATM 2391 O HOH 124 1.202 29.800 3.055 1.00 42.67 O HETATM 2392 O HOH 125 1.089 28.926 5.526 1.00 42.11 O HETATM 2393 O HOH 126 -3.543 31.316 11.513 1.00 42.90 O HETATM 2394 O HOH 127 -2.848 2.166 -5.433 1.00 42.99 O HETATM 2395 O HOH 128 9.030 -11.060 -6.830 1.00 44.03 O HETATM 2396 O HOH 129 4.579 -14.866 -1.135 1.00 43.84 O HETATM 2397 O HOH 130 11.206 -12.415 -5.304 1.00 44.75 O HETATM 2398 O HOH 131 -3.105 -0.010 13.336 1.00 44.68 O HETATM 2399 O HOH 132 -8.444 5.115 3.233 1.00 46.47 O HETATM 2400 O HOH 133 5.372 22.171 3.163 1.00 46.14 O HETATM 2401 O HOH 134 10.616 16.964 4.737 1.00 46.12 O HETATM 2402 O HOH 135 20.566 0.532 15.400 1.00 46.14 O HETATM 2403 O HOH 136 0.093 16.201 27.278 1.00 45.91 O HETATM 2404 O HOH 137 10.793 19.968 9.086 1.00 46.57 O HETATM 2405 O HOH 138 -10.063 4.772 0.458 1.00 48.74 O HETATM 2406 O HOH 139 -8.926 8.046 4.872 1.00 48.33 O HETATM 2407 O HOH 140 4.273 7.252 -17.718 1.00 48.55 O HETATM 2408 O HOH 141 -8.497 9.069 13.254 1.00 49.19 O HETATM 2409 O HOH 142 -7.090 5.154 -2.159 1.00 49.43 O HETATM 2410 O HOH 143 -2.448 -7.518 7.440 1.00 50.01 O HETATM 2411 O HOH 144 -2.430 -3.132 10.039 1.00 50.21 O HETATM 2412 O HOH 145 -16.530 11.316 16.711 1.00 52.83 O HETATM 2413 O HOH 146 21.183 0.910 17.939 1.00 53.29 O HETATM 2414 O HOH 147 8.456 -18.159 -1.245 1.00 57.97 O HETATM 2415 O HOH 148 -11.046 6.353 7.618 1.00 58.05 O HETATM 2416 C1 UNN A 149 -3.111 8.175 10.420 1.00 -0.06 C HETATM 2417 C2 UNN A 149 -3.617 7.505 11.533 1.00 -0.06 C HETATM 2418 C5 UNN A 149 -3.633 6.106 11.554 1.00 -0.06 C HETATM 2419 C10 UNN A 149 -3.144 5.364 10.468 1.00 0.00 C HETATM 2420 C6 UNN A 149 -2.629 6.049 9.357 1.00 -0.06 C HETATM 2421 C3 UNN A 149 -2.619 7.447 9.335 1.00 -0.06 C HETATM 2422 H3 UNN A 149 -2.227 7.969 8.470 1.00 0.06 H HETATM 2423 H6 UNN A 149 -2.238 5.493 8.513 1.00 0.06 H HETATM 2424 C13 UNN A 149 -3.164 3.904 10.511 1.00 0.10 C HETATM 2425 C12 UNN A 149 -2.942 2.953 9.491 1.00 0.04 C HETATM 2426 C14 UNN A 149 -3.079 1.735 10.103 1.00 0.12 C HETATM 2427 C15 UNN A 149 -2.887 0.650 9.213 1.00 0.21 C HETATM 2428 N20 UNN A 149 -2.751 1.281 7.976 1.00 -0.26 N HETATM 2429 C16 UNN A 149 -2.601 2.751 8.058 1.00 0.11 C HETATM 2430 C11 UNN A 149 -3.543 3.473 7.135 1.00 0.02 C HETATM 2431 C7 UNN A 149 -3.081 4.525 6.333 1.00 -0.04 C HETATM 2432 C4 UNN A 149 -3.955 5.176 5.467 1.00 -0.04 C HETATM 2433 C8 UNN A 149 -5.271 4.750 5.415 1.00 0.00 C HETATM 2434 N17 UNN A 149 -5.759 3.735 6.158 1.00 -0.30 N HETATM 2435 C9 UNN A 149 -4.884 3.118 6.987 1.00 0.02 C HETATM 2436 H9 UNN A 149 -5.252 2.288 7.579 1.00 0.08 H HETATM 2437 H8 UNN A 149 -5.948 5.261 4.739 1.00 0.08 H HETATM 2438 H4 UNN A 149 -3.613 5.997 4.848 1.00 0.07 H HETATM 2439 H7 UNN A 149 -2.043 4.832 6.387 1.00 0.07 H HETATM 2440 H10 UNN A 149 -1.570 3.066 7.839 1.00 0.08 H HETATM 2441 H12 UNN A 149 -2.755 0.783 7.109 1.00 0.19 H HETATM 2442 O21 UNN A 149 -2.873 -0.545 9.445 1.00 -0.39 O HETATM 2443 N19 UNN A 149 -3.371 1.947 11.396 1.00 -0.19 N HETATM 2444 N18 UNN A 149 -3.426 3.270 11.680 1.00 -0.21 N HETATM 2445 H11 UNN A 149 -3.625 3.704 12.593 1.00 0.26 H HETATM 2446 H5 UNN A 149 -4.028 5.589 12.421 1.00 0.06 H HETATM 2447 H2 UNN A 149 -3.997 8.066 12.379 1.00 0.06 H HETATM 2448 H1 UNN A 149 -3.100 9.259 10.397 1.00 0.06 H CONECT 1 2 7 9 10 CONECT 9 1 CONECT 10 1 CONECT 2416 2417 2421 2448 CONECT 2417 2416 2418 2447 CONECT 2418 2417 2419 2446 CONECT 2419 2418 2420 2424 CONECT 2420 2419 2421 2423 CONECT 2421 2416 2420 2422 CONECT 2422 2421 CONECT 2423 2420 CONECT 2424 2419 2425 2444 CONECT 2425 2424 2426 2429 CONECT 2426 2425 2427 2443 CONECT 2427 2426 2428 2442 CONECT 2428 2427 2429 2441 CONECT 2429 2425 2428 2430 2440 CONECT 2430 2429 2431 2435 CONECT 2431 2430 2432 2439 CONECT 2432 2431 2433 2438 CONECT 2433 2432 2434 2437 CONECT 2434 2433 2435 CONECT 2435 2430 2434 2436 CONECT 2436 2435 CONECT 2437 2433 CONECT 2438 2432 CONECT 2439 2431 CONECT 2440 2429 CONECT 2441 2428 CONECT 2442 2427 CONECT 2443 2426 2444 CONECT 2444 2424 2443 2445 CONECT 2445 2444 CONECT 2446 2418 CONECT 2447 2417 CONECT 2448 2416 MASTER 0 0 0 0 0 0 0 0 2447 1 36 12 END
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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
4j93
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Gag protein
Ligand Name
1JR
EC.Number
E.C.-.-.-.-
Resolution
1.74(Å)
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Antimicrob.Agents Chemother. Vol. 57: pp. 4622-4631
Ligand Properties
Formula
C
1
6
H
1
2
N
4
O
Molecular Weight
276.293
Exact Mass
276.101
No. of atoms
33
No. of bonds
36
Polar Surface Area
70.67
LOGP Value
1.69 (
Computed with XLOGP3
)
2.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
O=C1N[C@H](c2c1n[nH]c2c1ccccc1)c1cccnc1
InChI String
InChI=1S/C16H12N4O/c21-16-15-12(13(18-16)11-7-4-8-17-9-11)14(19-20-15)10-5-2-1-3-6-10/h1-9,13H,(H,18,21)(H,19,20)/t13-/m0/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):
Q79791
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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