Browse entries in the PDBbind-CN Database
HEADER 6NK0_COMPLEX COMPND 6NK0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 12 GLY GLU VAL VAL LEU LEU ASP PHE ALA ALA ALA GLY SEQRES 1 A 166 GLY TRP LEU THR HIS PRO TYR GLY LYS GLY TRP ASP LEU SEQRES 2 A 166 MET GLN ASN ILE MET ASN ASP MET PRO ILE TYR MET TYR SEQRES 3 A 166 SER VAL CYS ASN VAL MET SER GLY ASP GLN ASP ASN TRP SEQRES 4 A 166 LEU ARG THR ASN TRP VAL TYR ARG GLY GLU ALA GLU ARG SEQRES 5 A 166 ILE PHE ILE GLU LEU LYS PHE THR VAL ARG ASP CYS ASN SEQRES 6 A 166 SER PHE PRO GLY GLY ALA SER SER CYS LYS GLU THR PHE SEQRES 7 A 166 ASN LEU TYR TYR ALA GLU SER ASP LEU ASP TYR GLY THR SEQRES 8 A 166 ASN PHE GLN LYS ARG LEU PHE THR LYS ILE ASP THR ILE SEQRES 9 A 166 ALA PRO ASP GLU ILE THR VAL SER SER ASP PHE GLU ALA SEQRES 10 A 166 ARG HIS VAL LYS LEU ASN VAL GLU GLU ARG SER VAL GLY SEQRES 11 A 166 PRO LEU THR ARG LYS GLY PHE TYR LEU ALA PHE GLN ASP SEQRES 12 A 166 ILE GLY ALA CYS VAL ALA LEU LEU SER VAL ARG VAL TYR SEQRES 13 A 166 TYR LYS LYS ALA HIS HIS HIS HIS HIS HIS HET BAL A 386 175 SSBOND 1 CYS A 105 CYS A 115 SSBOND 2 CYS A 70 CYS A 188 ATOM 1 N GLY A 27 -29.796 -0.552 -4.289 1.00 49.90 N ATOM 2 CA GLY A 27 -31.089 0.049 -4.011 1.00 54.70 C ATOM 3 C GLY A 27 -31.420 1.250 -4.881 1.00 47.23 C ATOM 4 O GLY A 27 -31.360 2.391 -4.450 1.00 46.48 O ATOM 5 HN3 GLY A 27 -29.047 0.153 -4.134 1.00 0.00 H ATOM 6 HN2 GLY A 27 -29.770 -0.875 -5.277 1.00 0.00 H ATOM 7 HN1 GLY A 27 -29.648 -1.362 -3.654 1.00 0.00 H ATOM 8 N GLU A 28 -31.836 0.999 -6.106 1.00 41.67 N ATOM 9 CA GLU A 28 -32.078 2.097 -7.019 1.00 33.83 C ATOM 10 C GLU A 28 -33.545 2.502 -6.934 1.00 24.06 C ATOM 11 O GLU A 28 -34.420 1.678 -6.647 1.00 28.48 O ATOM 12 CB GLU A 28 -31.722 1.709 -8.459 1.00 36.49 C ATOM 13 CG GLU A 28 -30.279 1.253 -8.685 1.00 40.74 C ATOM 14 CD GLU A 28 -30.012 0.867 -10.121 1.00 44.19 C ATOM 15 OE1 GLU A 28 -30.976 0.801 -10.928 1.00 43.44 O ATOM 16 OE2 GLU A 28 -28.825 0.669 -10.456 1.00 49.43 O ATOM 17 H GLU A 28 -31.990 0.018 -6.415 1.00 0.00 H ATOM 18 N VAL A 29 -33.794 3.790 -7.130 1.00 18.24 N ATOM 19 CA VAL A 29 -35.154 4.293 -7.300 1.00 18.93 C ATOM 20 C VAL A 29 -35.276 4.880 -8.687 1.00 14.74 C ATOM 21 O VAL A 29 -34.476 5.736 -9.072 1.00 16.02 O ATOM 22 CB VAL A 29 -35.551 5.340 -6.252 1.00 18.70 C ATOM 23 CG1 VAL A 29 -36.926 5.865 -6.537 1.00 25.78 C ATOM 24 CG2 VAL A 29 -35.496 4.683 -4.904 1.00 29.22 C ATOM 25 H VAL A 29 -32.999 4.460 -7.163 1.00 0.00 H ATOM 26 N VAL A 30 -36.303 4.455 -9.412 1.00 14.88 N ATOM 27 CA VAL A 30 -36.521 4.866 -10.797 1.00 14.03 C ATOM 28 C VAL A 30 -37.412 6.105 -10.860 1.00 12.64 C ATOM 29 O VAL A 30 -38.497 6.158 -10.245 1.00 15.12 O ATOM 30 CB VAL A 30 -37.126 3.705 -11.608 1.00 17.11 C ATOM 31 CG1 VAL A 30 -37.419 4.138 -13.036 1.00 17.75 C ATOM 32 CG2 VAL A 30 -36.190 2.545 -11.599 1.00 22.69 C ATOM 33 H VAL A 30 -36.983 3.800 -8.975 1.00 0.00 H ATOM 34 N LEU A 31 -36.932 7.108 -11.592 1.00 12.04 N ATOM 35 CA LEU A 31 -37.633 8.369 -11.810 1.00 12.45 C ATOM 36 C LEU A 31 -38.301 8.466 -13.164 1.00 12.15 C ATOM 37 O LEU A 31 -39.328 9.148 -13.293 1.00 14.25 O ATOM 38 CB LEU A 31 -36.677 9.550 -11.648 1.00 13.48 C ATOM 39 CG LEU A 31 -36.060 9.689 -10.266 1.00 14.27 C ATOM 40 CD1 LEU A 31 -35.082 10.850 -10.245 1.00 18.85 C ATOM 41 CD2 LEU A 31 -37.126 9.930 -9.198 1.00 16.37 C ATOM 42 H LEU A 31 -36.000 6.985 -12.036 1.00 0.00 H ATOM 43 N LEU A 32 -37.761 7.767 -14.154 1.00 11.63 N ATOM 44 CA LEU A 32 -38.300 7.748 -15.499 1.00 11.97 C ATOM 45 C LEU A 32 -37.873 6.424 -16.136 1.00 11.91 C ATOM 46 O LEU A 32 -36.714 6.019 -15.992 1.00 12.85 O ATOM 47 CB LEU A 32 -37.767 8.926 -16.316 1.00 11.42 C ATOM 48 CG LEU A 32 -38.235 8.947 -17.766 1.00 12.78 C ATOM 49 CD1 LEU A 32 -39.722 9.070 -17.892 1.00 15.86 C ATOM 50 CD2 LEU A 32 -37.504 10.068 -18.573 1.00 14.57 C ATOM 51 H LEU A 32 -36.909 7.205 -13.955 1.00 0.00 H ATOM 52 N ASP A 33 -38.787 5.751 -16.863 1.00 11.72 N ATOM 53 CA ASP A 33 -38.391 4.547 -17.620 1.00 12.95 C ATOM 54 C ASP A 33 -39.252 4.444 -18.884 1.00 13.99 C ATOM 55 O ASP A 33 -40.346 3.880 -18.871 1.00 15.83 O ATOM 56 CB ASP A 33 -38.520 3.321 -16.727 1.00 14.26 C ATOM 57 CG ASP A 33 -37.871 2.080 -17.302 1.00 22.24 C ATOM 58 OD1 ASP A 33 -37.380 2.061 -18.446 1.00 22.79 O ATOM 59 OD2 ASP A 33 -37.893 1.048 -16.614 1.00 21.88 O ATOM 60 H ASP A 33 -39.773 6.081 -16.891 1.00 0.00 H ATOM 61 N PHE A 34 -38.738 4.989 -19.979 1.00 13.32 N ATOM 62 CA PHE A 34 -39.521 5.053 -21.212 1.00 13.67 C ATOM 63 C PHE A 34 -40.006 3.689 -21.683 1.00 15.68 C ATOM 64 O PHE A 34 -41.155 3.564 -22.126 1.00 22.11 O ATOM 65 CB PHE A 34 -38.696 5.769 -22.288 1.00 13.43 C ATOM 66 CG PHE A 34 -39.233 5.609 -23.690 1.00 14.54 C ATOM 67 CD1 PHE A 34 -40.244 6.425 -24.157 1.00 19.66 C ATOM 68 CD2 PHE A 34 -38.727 4.632 -24.536 1.00 16.43 C ATOM 69 CE1 PHE A 34 -40.752 6.252 -25.433 1.00 20.39 C ATOM 70 CE2 PHE A 34 -39.221 4.472 -25.838 1.00 18.68 C ATOM 71 CZ PHE A 34 -40.235 5.300 -26.267 1.00 17.13 C ATOM 72 H PHE A 34 -37.772 5.373 -19.960 1.00 0.00 H ATOM 73 N ALA A 35 -39.131 2.679 -21.690 1.00 16.88 N ATOM 74 CA ALA A 35 -39.475 1.355 -22.213 1.00 19.50 C ATOM 75 C ALA A 35 -40.397 0.575 -21.292 1.00 22.66 C ATOM 76 O ALA A 35 -40.801 -0.532 -21.658 1.00 27.70 O ATOM 77 CB ALA A 35 -38.226 0.518 -22.462 1.00 20.50 C ATOM 78 H ALA A 35 -38.175 2.838 -21.312 1.00 0.00 H ATOM 79 N ALA A 36 -40.631 1.041 -20.080 1.00 21.55 N ATOM 80 CA ALA A 36 -41.574 0.354 -19.209 1.00 25.51 C ATOM 81 C ALA A 36 -42.975 0.927 -19.321 1.00 38.27 C ATOM 82 O ALA A 36 -43.924 0.283 -18.861 1.00 47.50 O ATOM 83 CB ALA A 36 -41.117 0.429 -17.750 1.00 30.37 C ATOM 84 H ALA A 36 -40.143 1.897 -19.748 1.00 0.00 H ATOM 85 N ALA A 37 -43.115 2.094 -19.962 1.00 58.48 N ATOM 86 CA ALA A 37 -44.334 2.893 -19.942 1.00 72.16 C ATOM 87 C ALA A 37 -45.324 2.547 -21.046 1.00 74.82 C ATOM 88 O ALA A 37 -46.513 2.371 -20.770 1.00 71.09 O ATOM 89 CB ALA A 37 -43.977 4.383 -20.056 1.00 76.36 C ATOM 90 H ALA A 37 -42.305 2.452 -20.507 1.00 0.00 H ATOM 91 N GLY A 38 -44.856 2.436 -22.287 1.00 76.65 N ATOM 92 CA GLY A 38 -45.737 2.164 -23.408 1.00 70.03 C ATOM 93 C GLY A 38 -46.849 3.189 -23.541 1.00 67.26 C ATOM 94 O GLY A 38 -47.023 3.811 -24.591 1.00 68.76 O ATOM 95 H GLY A 38 -43.836 2.547 -22.457 1.00 0.00 H TER 96 GLY A 38 ATOM 97 N GLY A 42 -46.250 10.622 -25.444 1.00 38.43 N ATOM 98 CA GLY A 42 -46.187 11.634 -26.487 1.00 43.48 C ATOM 99 C GLY A 42 -45.325 12.847 -26.152 1.00 36.39 C ATOM 100 O GLY A 42 -45.849 13.943 -25.943 1.00 32.50 O ATOM 101 HN3 GLY A 42 -46.646 11.042 -24.579 1.00 0.00 H ATOM 102 HN2 GLY A 42 -45.292 10.265 -25.251 1.00 0.00 H ATOM 103 HN1 GLY A 42 -46.856 9.838 -25.759 1.00 0.00 H ATOM 104 N TRP A 43 -44.004 12.656 -26.137 1.00 23.33 N ATOM 105 CA TRP A 43 -43.079 13.691 -25.700 1.00 19.65 C ATOM 106 C TRP A 43 -43.016 14.838 -26.696 1.00 19.42 C ATOM 107 O TRP A 43 -43.267 14.688 -27.894 1.00 19.98 O ATOM 108 CB TRP A 43 -41.664 13.133 -25.510 1.00 13.52 C ATOM 109 CG TRP A 43 -41.446 12.202 -24.340 1.00 13.30 C ATOM 110 CD1 TRP A 43 -42.301 11.910 -23.347 1.00 16.24 C ATOM 111 CD2 TRP A 43 -40.233 11.465 -24.057 1.00 13.78 C ATOM 112 NE1 TRP A 43 -41.705 11.055 -22.433 1.00 17.63 N ATOM 113 CE2 TRP A 43 -40.457 10.721 -22.901 1.00 16.49 C ATOM 114 CE3 TRP A 43 -38.993 11.357 -24.702 1.00 12.03 C ATOM 115 CZ2 TRP A 43 -39.484 9.878 -22.347 1.00 14.19 C ATOM 116 CZ3 TRP A 43 -38.027 10.493 -24.175 1.00 14.50 C ATOM 117 CH2 TRP A 43 -38.296 9.753 -23.008 1.00 12.61 C ATOM 118 HE1 TRP A 43 -42.130 10.723 -21.544 1.00 0.00 H ATOM 119 H TRP A 43 -43.624 11.739 -26.447 1.00 0.00 H ATOM 120 N LEU A 44 -42.688 16.002 -26.176 1.00 16.43 N ATOM 121 CA LEU A 44 -42.585 17.177 -27.001 1.00 15.17 C ATOM 122 C LEU A 44 -41.455 17.040 -28.000 1.00 12.96 C ATOM 123 O LEU A 44 -40.344 16.595 -27.689 1.00 11.79 O ATOM 124 CB LEU A 44 -42.375 18.406 -26.111 1.00 16.02 C ATOM 125 CG LEU A 44 -42.310 19.783 -26.776 1.00 18.64 C ATOM 126 CD1 LEU A 44 -42.806 20.855 -25.830 1.00 22.76 C ATOM 127 CD2 LEU A 44 -40.877 20.056 -27.133 1.00 18.39 C ATOM 128 H LEU A 44 -42.501 16.074 -25.155 1.00 0.00 H ATOM 129 N THR A 45 -41.750 17.478 -29.211 1.00 15.54 N ATOM 130 CA THR A 45 -40.764 17.592 -30.273 1.00 14.58 C ATOM 131 C THR A 45 -40.810 19.000 -30.857 1.00 15.70 C ATOM 132 O THR A 45 -41.855 19.665 -30.863 1.00 20.23 O ATOM 133 CB THR A 45 -40.978 16.529 -31.358 1.00 17.36 C ATOM 134 OG1 THR A 45 -42.277 16.688 -31.940 1.00 21.31 O ATOM 135 CG2 THR A 45 -40.880 15.126 -30.765 1.00 20.87 C ATOM 136 HG1 THR A 45 -42.967 16.584 -31.238 1.00 0.00 H ATOM 137 H THR A 45 -42.732 17.754 -29.414 1.00 0.00 H ATOM 138 N HIS A 46 -39.636 19.469 -31.290 1.00 15.31 N ATOM 139 CA HIS A 46 -39.461 20.767 -31.857 1.00 17.79 C ATOM 140 C HIS A 46 -38.453 20.617 -32.986 1.00 19.80 C ATOM 141 O HIS A 46 -37.388 20.043 -32.765 1.00 20.55 O ATOM 142 CB HIS A 46 -38.921 21.721 -30.797 1.00 21.18 C ATOM 143 CG HIS A 46 -38.601 23.071 -31.332 1.00 21.36 C ATOM 144 ND1 HIS A 46 -39.525 24.089 -31.368 1.00 28.60 N ATOM 145 CD2 HIS A 46 -37.467 23.566 -31.873 1.00 30.17 C ATOM 146 CE1 HIS A 46 -38.971 25.161 -31.905 1.00 30.88 C ATOM 147 NE2 HIS A 46 -37.722 24.867 -32.220 1.00 29.55 N ATOM 148 H HIS A 46 -38.802 18.853 -31.209 1.00 0.00 H ATOM 149 N PRO A 47 -38.663 21.246 -34.130 1.00 19.31 N ATOM 150 CA PRO A 47 -39.788 22.120 -34.444 1.00 22.21 C ATOM 151 C PRO A 47 -41.026 21.288 -34.719 1.00 28.18 C ATOM 152 O PRO A 47 -40.925 20.072 -34.934 1.00 26.46 O ATOM 153 CB PRO A 47 -39.311 22.905 -35.673 1.00 28.20 C ATOM 154 CG PRO A 47 -38.189 22.150 -36.224 1.00 27.51 C ATOM 155 CD PRO A 47 -37.660 21.196 -35.214 1.00 21.00 C ATOM 156 N TYR A 48 -42.186 21.941 -34.693 1.00 42.76 N ATOM 157 CA TYR A 48 -43.444 21.223 -34.810 1.00 54.68 C ATOM 158 C TYR A 48 -43.525 20.571 -36.184 1.00 49.55 C ATOM 159 O TYR A 48 -43.207 21.196 -37.203 1.00 47.25 O ATOM 160 CB TYR A 48 -44.608 22.195 -34.625 1.00 76.60 C ATOM 161 CG TYR A 48 -45.897 21.576 -34.126 1.00 87.21 C ATOM 162 CD1 TYR A 48 -45.996 21.099 -32.822 1.00 95.12 C ATOM 163 CD2 TYR A 48 -47.006 21.453 -34.959 1.00 83.61 C ATOM 164 CE1 TYR A 48 -47.169 20.540 -32.352 1.00102.79 C ATOM 165 CE2 TYR A 48 -48.183 20.888 -34.501 1.00 91.33 C ATOM 166 CZ TYR A 48 -48.258 20.433 -33.195 1.00106.01 C ATOM 167 OH TYR A 48 -49.423 19.868 -32.724 1.00118.76 O ATOM 168 HH TYR A 48 -49.300 19.601 -31.779 1.00 0.00 H ATOM 169 H TYR A 48 -42.192 22.976 -34.588 1.00 0.00 H ATOM 170 N GLY A 49 -43.935 19.303 -36.206 1.00 67.76 N ATOM 171 CA GLY A 49 -44.181 18.615 -37.454 1.00 73.74 C ATOM 172 C GLY A 49 -42.960 18.036 -38.124 1.00 54.69 C ATOM 173 O GLY A 49 -43.068 17.521 -39.242 1.00 55.45 O ATOM 174 H GLY A 49 -44.081 18.799 -35.308 1.00 0.00 H ATOM 175 N LYS A 50 -41.800 18.125 -37.497 1.00 37.15 N ATOM 176 CA LYS A 50 -40.570 17.724 -38.140 1.00 36.45 C ATOM 177 C LYS A 50 -39.748 17.000 -37.099 1.00 32.34 C ATOM 178 O LYS A 50 -39.837 17.291 -35.896 1.00 29.94 O ATOM 179 CB LYS A 50 -39.808 18.941 -38.670 1.00 38.71 C ATOM 180 CG LYS A 50 -40.726 19.905 -39.394 1.00 50.42 C ATOM 181 CD LYS A 50 -40.001 21.140 -39.869 1.00 66.79 C ATOM 182 CE LYS A 50 -40.859 21.912 -40.846 1.00 80.14 C ATOM 183 NZ LYS A 50 -40.281 23.250 -41.120 1.00 89.24 N ATOM 184 HZ1 LYS A 50 -40.219 23.788 -40.232 1.00 0.00 H ATOM 185 HZ2 LYS A 50 -39.330 23.139 -41.526 1.00 0.00 H ATOM 186 HZ3 LYS A 50 -40.890 23.758 -41.793 1.00 0.00 H ATOM 187 H LYS A 50 -41.772 18.490 -36.524 1.00 0.00 H ATOM 188 N GLY A 51 -38.953 16.058 -37.564 1.00 24.29 N ATOM 189 CA GLY A 51 -37.872 15.520 -36.759 1.00 16.85 C ATOM 190 C GLY A 51 -38.248 14.237 -36.035 1.00 14.80 C ATOM 191 O GLY A 51 -38.658 13.253 -36.660 1.00 16.38 O ATOM 192 H GLY A 51 -39.103 15.693 -38.526 1.00 0.00 H ATOM 193 N TRP A 52 -38.051 14.213 -34.719 1.00 12.68 N ATOM 194 CA TRP A 52 -38.269 13.003 -33.939 1.00 11.63 C ATOM 195 C TRP A 52 -39.728 12.563 -33.997 1.00 14.63 C ATOM 196 O TRP A 52 -40.650 13.385 -33.967 1.00 16.44 O ATOM 197 CB TRP A 52 -37.897 13.231 -32.496 1.00 12.69 C ATOM 198 CG TRP A 52 -36.463 13.511 -32.209 1.00 11.97 C ATOM 199 CD1 TRP A 52 -35.879 14.757 -32.060 1.00 13.06 C ATOM 200 CD2 TRP A 52 -35.442 12.554 -31.871 1.00 11.43 C ATOM 201 NE1 TRP A 52 -34.571 14.614 -31.701 1.00 12.21 N ATOM 202 CE2 TRP A 52 -34.281 13.276 -31.557 1.00 9.27 C ATOM 203 CE3 TRP A 52 -35.399 11.152 -31.802 1.00 14.26 C ATOM 204 CZ2 TRP A 52 -33.075 12.646 -31.198 1.00 10.64 C ATOM 205 CZ3 TRP A 52 -34.201 10.540 -31.454 1.00 13.40 C ATOM 206 CH2 TRP A 52 -33.068 11.270 -31.145 1.00 11.82 C ATOM 207 HE1 TRP A 52 -33.898 15.394 -31.558 1.00 0.00 H ATOM 208 H TRP A 52 -37.734 15.078 -34.237 1.00 0.00 H ATOM 209 N ASP A 53 -39.935 11.252 -34.096 1.00 12.66 N ATOM 210 CA ASP A 53 -41.258 10.675 -34.249 1.00 12.14 C ATOM 211 C ASP A 53 -41.355 9.466 -33.338 1.00 11.60 C ATOM 212 O ASP A 53 -40.438 8.638 -33.309 1.00 11.50 O ATOM 213 CB ASP A 53 -41.512 10.225 -35.703 1.00 13.29 C ATOM 214 CG ASP A 53 -43.002 10.166 -36.080 1.00 23.05 C ATOM 215 OD1 ASP A 53 -43.861 10.612 -35.299 1.00 20.75 O ATOM 216 OD2 ASP A 53 -43.270 9.704 -37.210 1.00 24.95 O ATOM 217 H ASP A 53 -39.114 10.614 -34.062 1.00 0.00 H ATOM 218 N LEU A 54 -42.505 9.324 -32.658 1.00 10.93 N ATOM 219 CA LEU A 54 -42.770 8.134 -31.850 1.00 11.40 C ATOM 220 C LEU A 54 -43.165 6.980 -32.769 1.00 12.13 C ATOM 221 O LEU A 54 -44.154 7.077 -33.505 1.00 12.51 O ATOM 222 CB LEU A 54 -43.854 8.429 -30.821 1.00 11.91 C ATOM 223 CG LEU A 54 -44.141 7.289 -29.823 1.00 14.30 C ATOM 224 CD1 LEU A 54 -42.981 6.843 -28.979 1.00 17.15 C ATOM 225 CD2 LEU A 54 -45.291 7.814 -28.956 1.00 21.70 C ATOM 226 H LEU A 54 -43.222 10.076 -32.707 1.00 0.00 H ATOM 227 N MET A 55 -42.368 5.902 -32.726 1.00 11.16 N ATOM 228 CA MET A 55 -42.501 4.761 -33.607 1.00 11.25 C ATOM 229 C MET A 55 -42.677 3.503 -32.777 1.00 10.51 C ATOM 230 O MET A 55 -42.479 3.486 -31.558 1.00 10.53 O ATOM 231 CB MET A 55 -41.280 4.590 -34.520 1.00 12.54 C ATOM 232 CG MET A 55 -40.879 5.836 -35.260 1.00 10.28 C ATOM 233 SD MET A 55 -41.963 6.283 -36.643 1.00 12.61 S ATOM 234 CE MET A 55 -41.492 5.059 -37.872 1.00 12.71 C ATOM 235 H MET A 55 -41.608 5.885 -32.016 1.00 0.00 H ATOM 236 N GLN A 56 -43.080 2.438 -33.473 1.00 12.64 N ATOM 237 CA GLN A 56 -43.222 1.131 -32.857 1.00 12.36 C ATOM 238 C GLN A 56 -42.808 0.046 -33.835 1.00 12.57 C ATOM 239 O GLN A 56 -42.997 0.150 -35.050 1.00 13.92 O ATOM 240 CB GLN A 56 -44.668 0.906 -32.401 1.00 14.21 C ATOM 241 CG GLN A 56 -45.699 0.887 -33.457 1.00 14.16 C ATOM 242 CD GLN A 56 -47.053 0.495 -32.908 1.00 24.33 C ATOM 243 OE1 GLN A 56 -47.153 0.024 -31.784 1.00 27.96 O ATOM 244 NE2 GLN A 56 -48.092 0.731 -33.674 1.00 28.88 N ATOM 245 HE22 GLN A 56 -47.957 1.133 -34.624 1.00 0.00 H ATOM 246 HE21 GLN A 56 -49.050 0.516 -33.331 1.00 0.00 H ATOM 247 H GLN A 56 -43.298 2.547 -34.484 1.00 0.00 H ATOM 248 N ASN A 57 -42.302 -1.042 -33.271 1.00 11.82 N ATOM 249 CA ASN A 57 -42.083 -2.283 -34.011 1.00 12.01 C ATOM 250 C ASN A 57 -42.994 -3.312 -33.353 1.00 15.61 C ATOM 251 O ASN A 57 -42.899 -3.519 -32.132 1.00 15.15 O ATOM 252 CB ASN A 57 -40.600 -2.656 -33.935 1.00 14.36 C ATOM 253 CG ASN A 57 -40.292 -4.045 -34.491 1.00 15.38 C ATOM 254 OD1 ASN A 57 -40.904 -5.039 -34.104 1.00 15.02 O ATOM 255 ND2 ASN A 57 -39.346 -4.112 -35.436 1.00 14.79 N ATOM 256 HD22 ASN A 57 -38.850 -3.249 -35.737 1.00 0.00 H ATOM 257 HD21 ASN A 57 -39.107 -5.027 -35.869 1.00 0.00 H ATOM 258 H ASN A 57 -42.051 -1.011 -32.262 1.00 0.00 H ATOM 259 N ILE A 58 -43.888 -3.929 -34.146 1.00 15.10 N ATOM 260 CA ILE A 58 -44.883 -4.880 -33.642 1.00 15.38 C ATOM 261 C ILE A 58 -44.657 -6.284 -34.192 1.00 15.86 C ATOM 262 O ILE A 58 -45.600 -7.060 -34.371 1.00 18.25 O ATOM 263 CB ILE A 58 -46.314 -4.381 -33.932 1.00 17.44 C ATOM 264 CG1 ILE A 58 -46.501 -4.055 -35.419 1.00 28.22 C ATOM 265 CG2 ILE A 58 -46.630 -3.168 -33.106 1.00 20.65 C ATOM 266 CD1 ILE A 58 -47.839 -3.441 -35.721 1.00 37.45 C ATOM 267 H ILE A 58 -43.873 -3.722 -35.165 1.00 0.00 H ATOM 268 N MET A 59 -43.401 -6.649 -34.410 1.00 15.49 N ATOM 269 CA MET A 59 -43.127 -7.988 -34.911 1.00 16.43 C ATOM 270 C MET A 59 -43.345 -9.057 -33.853 1.00 17.52 C ATOM 271 O MET A 59 -43.447 -10.235 -34.191 1.00 18.64 O ATOM 272 CB MET A 59 -41.694 -8.057 -35.426 1.00 20.85 C ATOM 273 CG MET A 59 -41.400 -7.096 -36.538 1.00 18.45 C ATOM 274 SD MET A 59 -42.038 -7.612 -38.144 1.00 25.55 S ATOM 275 CE MET A 59 -41.021 -9.080 -38.367 1.00 27.13 C ATOM 276 H MET A 59 -42.621 -5.986 -34.225 1.00 0.00 H ATOM 277 N ASN A 60 -43.413 -8.671 -32.585 1.00 17.37 N ATOM 278 CA ASN A 60 -43.692 -9.585 -31.505 1.00 20.44 C ATOM 279 C ASN A 60 -44.856 -9.084 -30.685 1.00 19.92 C ATOM 280 O ASN A 60 -45.319 -7.946 -30.828 1.00 21.72 O ATOM 281 CB ASN A 60 -42.453 -9.771 -30.643 1.00 18.46 C ATOM 282 CG ASN A 60 -41.498 -10.705 -31.286 1.00 18.84 C ATOM 283 OD1 ASN A 60 -41.730 -11.917 -31.310 1.00 20.22 O ATOM 284 ND2 ASN A 60 -40.486 -10.122 -31.956 1.00 21.83 N ATOM 285 HD22 ASN A 60 -40.345 -9.093 -31.893 1.00 0.00 H ATOM 286 HD21 ASN A 60 -39.845 -10.700 -32.536 1.00 0.00 H ATOM 287 H ASN A 60 -43.259 -7.667 -32.361 1.00 0.00 H ATOM 288 N ASP A 61 -45.269 -9.929 -29.760 1.00 23.65 N ATOM 289 CA ASP A 61 -46.565 -9.727 -29.145 1.00 33.48 C ATOM 290 C ASP A 61 -46.591 -8.441 -28.347 1.00 28.32 C ATOM 291 O ASP A 61 -47.597 -7.722 -28.362 1.00 29.07 O ATOM 292 CB ASP A 61 -46.918 -10.921 -28.279 1.00 39.90 C ATOM 293 CG ASP A 61 -48.395 -11.150 -28.234 1.00 45.47 C ATOM 294 OD1 ASP A 61 -48.998 -11.250 -29.333 1.00 43.99 O ATOM 295 OD2 ASP A 61 -48.943 -11.194 -27.113 1.00 46.52 O ATOM 296 H ASP A 61 -44.671 -10.731 -29.476 1.00 0.00 H ATOM 297 N MET A 62 -45.503 -8.128 -27.677 1.00 21.07 N ATOM 298 CA MET A 62 -45.460 -6.819 -27.070 1.00 25.19 C ATOM 299 C MET A 62 -44.697 -5.843 -27.956 1.00 20.51 C ATOM 300 O MET A 62 -43.578 -6.126 -28.419 1.00 20.67 O ATOM 301 CB MET A 62 -44.838 -6.888 -25.681 1.00 36.64 C ATOM 302 CG MET A 62 -45.792 -7.537 -24.643 1.00 46.55 C ATOM 303 SD MET A 62 -47.338 -6.627 -24.319 1.00 53.65 S ATOM 304 CE MET A 62 -48.535 -7.462 -25.367 1.00 44.12 C ATOM 305 H MET A 62 -44.709 -8.794 -27.589 1.00 0.00 H ATOM 306 N PRO A 63 -45.276 -4.677 -28.163 1.00 21.07 N ATOM 307 CA PRO A 63 -44.643 -3.675 -29.011 1.00 19.22 C ATOM 308 C PRO A 63 -43.354 -3.163 -28.403 1.00 18.14 C ATOM 309 O PRO A 63 -43.194 -3.123 -27.175 1.00 22.07 O ATOM 310 CB PRO A 63 -45.689 -2.567 -29.100 1.00 19.16 C ATOM 311 CG PRO A 63 -46.898 -3.110 -28.538 1.00 29.10 C ATOM 312 CD PRO A 63 -46.576 -4.226 -27.647 1.00 27.04 C ATOM 313 N ILE A 64 -42.436 -2.771 -29.288 1.00 14.05 N ATOM 314 CA ILE A 64 -41.224 -2.046 -28.922 1.00 14.88 C ATOM 315 C ILE A 64 -41.464 -0.628 -29.417 1.00 15.71 C ATOM 316 O ILE A 64 -41.655 -0.414 -30.618 1.00 15.53 O ATOM 317 CB ILE A 64 -39.986 -2.640 -29.598 1.00 19.82 C ATOM 318 CG1 ILE A 64 -39.792 -4.114 -29.190 1.00 31.82 C ATOM 319 CG2 ILE A 64 -38.771 -1.805 -29.271 1.00 19.26 C ATOM 320 CD1 ILE A 64 -38.604 -4.766 -29.874 1.00 54.82 C ATOM 321 H ILE A 64 -42.593 -2.994 -30.292 1.00 0.00 H ATOM 322 N TYR A 65 -41.447 0.340 -28.514 1.00 11.78 N ATOM 323 CA TYR A 65 -41.579 1.749 -28.871 1.00 11.60 C ATOM 324 C TYR A 65 -40.207 2.419 -28.923 1.00 12.17 C ATOM 325 O TYR A 65 -39.217 1.939 -28.357 1.00 12.77 O ATOM 326 CB TYR A 65 -42.482 2.478 -27.863 1.00 12.99 C ATOM 327 CG TYR A 65 -43.881 1.873 -27.764 1.00 14.47 C ATOM 328 CD1 TYR A 65 -44.789 2.095 -28.779 1.00 18.51 C ATOM 329 CD2 TYR A 65 -44.274 1.096 -26.692 1.00 16.88 C ATOM 330 CE1 TYR A 65 -46.038 1.558 -28.742 1.00 25.56 C ATOM 331 CE2 TYR A 65 -45.549 0.571 -26.637 1.00 19.06 C ATOM 332 CZ TYR A 65 -46.399 0.794 -27.687 1.00 18.57 C ATOM 333 OH TYR A 65 -47.666 0.281 -27.659 1.00 23.52 O ATOM 334 HH TYR A 65 -48.142 0.535 -28.489 1.00 0.00 H ATOM 335 H TYR A 65 -41.335 0.087 -27.512 1.00 0.00 H ATOM 336 N MET A 66 -40.160 3.542 -29.634 1.00 11.74 N ATOM 337 CA MET A 66 -38.909 4.253 -29.815 1.00 10.91 C ATOM 338 C MET A 66 -39.220 5.652 -30.320 1.00 13.31 C ATOM 339 O MET A 66 -40.242 5.884 -30.975 1.00 14.51 O ATOM 340 CB MET A 66 -37.998 3.562 -30.806 1.00 13.14 C ATOM 341 CG MET A 66 -38.579 3.578 -32.198 1.00 14.27 C ATOM 342 SD MET A 66 -37.910 2.238 -33.206 1.00 16.72 S ATOM 343 CE MET A 66 -38.640 0.806 -32.389 1.00 20.32 C ATOM 344 H MET A 66 -41.030 3.914 -30.065 1.00 0.00 H ATOM 345 N TYR A 67 -38.324 6.576 -30.030 1.00 10.52 N ATOM 346 CA TYR A 67 -38.303 7.845 -30.734 1.00 9.11 C ATOM 347 C TYR A 67 -37.208 7.785 -31.790 1.00 10.33 C ATOM 348 O TYR A 67 -36.041 7.527 -31.472 1.00 11.44 O ATOM 349 CB TYR A 67 -38.085 9.037 -29.792 1.00 11.57 C ATOM 350 CG TYR A 67 -39.312 9.414 -29.015 1.00 12.99 C ATOM 351 CD1 TYR A 67 -40.331 10.179 -29.557 1.00 18.57 C ATOM 352 CD2 TYR A 67 -39.453 8.943 -27.724 1.00 12.89 C ATOM 353 CE1 TYR A 67 -41.479 10.473 -28.754 1.00 14.68 C ATOM 354 CE2 TYR A 67 -40.546 9.233 -26.967 1.00 17.47 C ATOM 355 CZ TYR A 67 -41.536 9.952 -27.486 1.00 15.24 C ATOM 356 OH TYR A 67 -42.599 10.119 -26.593 1.00 26.88 O ATOM 357 HH TYR A 67 -43.308 10.659 -27.024 1.00 0.00 H ATOM 358 H TYR A 67 -37.622 6.392 -29.285 1.00 0.00 H ATOM 359 N SER A 68 -37.584 8.011 -33.034 1.00 10.11 N ATOM 360 CA SER A 68 -36.701 7.888 -34.179 1.00 9.34 C ATOM 361 C SER A 68 -36.605 9.188 -34.948 1.00 10.19 C ATOM 362 O SER A 68 -37.591 9.912 -35.104 1.00 11.56 O ATOM 363 CB SER A 68 -37.221 6.861 -35.158 1.00 12.26 C ATOM 364 OG SER A 68 -37.195 5.576 -34.561 1.00 15.49 O ATOM 365 HG SER A 68 -37.536 4.907 -35.206 1.00 0.00 H ATOM 366 H SER A 68 -38.570 8.294 -33.204 1.00 0.00 H ATOM 367 N VAL A 69 -35.419 9.468 -35.460 1.00 10.54 N ATOM 368 CA VAL A 69 -35.243 10.559 -36.409 1.00 10.82 C ATOM 369 C VAL A 69 -34.233 10.107 -37.445 1.00 11.90 C ATOM 370 O VAL A 69 -33.269 9.422 -37.116 1.00 11.41 O ATOM 371 CB VAL A 69 -34.836 11.854 -35.664 1.00 13.79 C ATOM 372 CG1 VAL A 69 -33.503 11.760 -35.022 1.00 12.59 C ATOM 373 CG2 VAL A 69 -34.898 13.109 -36.570 1.00 16.23 C ATOM 374 H VAL A 69 -34.595 8.898 -35.180 1.00 0.00 H ATOM 375 N CYS A 70 -34.420 10.512 -38.700 1.00 12.93 N ATOM 376 CA CYS A 70 -33.494 10.046 -39.729 1.00 14.47 C ATOM 377 C CYS A 70 -33.499 10.985 -40.931 1.00 15.07 C ATOM 378 O CYS A 70 -33.666 10.565 -42.082 1.00 15.22 O ATOM 379 CB CYS A 70 -33.836 8.606 -40.135 1.00 14.44 C ATOM 380 SG CYS A 70 -32.564 7.768 -41.139 1.00 15.68 S ATOM 381 H CYS A 70 -35.208 11.146 -38.942 1.00 0.00 H ATOM 382 N ASN A 71 -33.338 12.277 -40.650 1.00 13.36 N ATOM 383 CA ASN A 71 -33.307 13.301 -41.693 1.00 16.00 C ATOM 384 C ASN A 71 -31.857 13.544 -42.116 1.00 17.77 C ATOM 385 O ASN A 71 -31.241 14.581 -41.864 1.00 21.17 O ATOM 386 CB ASN A 71 -33.965 14.575 -41.193 1.00 15.40 C ATOM 387 CG ASN A 71 -35.441 14.407 -40.989 1.00 20.20 C ATOM 388 OD1 ASN A 71 -36.041 13.456 -41.506 1.00 23.35 O ATOM 389 ND2 ASN A 71 -36.051 15.354 -40.286 1.00 24.95 N ATOM 390 HD22 ASN A 71 -35.499 16.132 -39.873 1.00 0.00 H ATOM 391 HD21 ASN A 71 -37.081 15.318 -40.149 1.00 0.00 H ATOM 392 H ASN A 71 -33.231 12.567 -39.657 1.00 0.00 H ATOM 393 N VAL A 72 -31.312 12.535 -42.788 1.00 16.20 N ATOM 394 CA VAL A 72 -29.873 12.464 -43.042 1.00 19.85 C ATOM 395 C VAL A 72 -29.383 13.140 -44.309 1.00 22.46 C ATOM 396 O VAL A 72 -28.164 13.224 -44.519 1.00 24.46 O ATOM 397 CB VAL A 72 -29.406 10.990 -43.089 1.00 19.36 C ATOM 398 CG1 VAL A 72 -29.444 10.439 -41.685 1.00 17.35 C ATOM 399 CG2 VAL A 72 -30.280 10.162 -44.050 1.00 19.33 C ATOM 400 H VAL A 72 -31.926 11.774 -43.143 1.00 0.00 H ATOM 401 N MET A 73 -30.267 13.630 -45.158 1.00 19.05 N ATOM 402 CA MET A 73 -29.859 14.228 -46.428 1.00 28.34 C ATOM 403 C MET A 73 -29.799 15.764 -46.463 1.00 31.47 C ATOM 404 O MET A 73 -29.059 16.324 -47.299 1.00 33.05 O ATOM 405 CB MET A 73 -30.804 13.746 -47.532 1.00 33.51 C ATOM 406 CG MET A 73 -30.849 12.247 -47.725 1.00 42.95 C ATOM 407 SD MET A 73 -29.217 11.492 -47.853 1.00 54.65 S ATOM 408 CE MET A 73 -28.514 12.522 -49.119 1.00 35.43 C ATOM 409 H MET A 73 -31.278 13.590 -44.918 1.00 0.00 H ATOM 410 N SER A 74 -30.611 16.460 -45.652 1.00 26.61 N ATOM 411 CA SER A 74 -30.781 17.914 -45.784 1.00 30.15 C ATOM 412 C SER A 74 -29.568 18.715 -45.304 1.00 31.55 C ATOM 413 O SER A 74 -29.230 19.750 -45.893 1.00 36.74 O ATOM 414 CB SER A 74 -32.017 18.355 -45.007 1.00 43.21 C ATOM 415 OG SER A 74 -33.124 17.551 -45.362 1.00 53.38 O ATOM 416 HG SER A 74 -32.925 16.605 -45.149 1.00 0.00 H ATOM 417 H SER A 74 -31.135 15.956 -44.909 1.00 0.00 H ATOM 418 N GLY A 75 -28.957 18.321 -44.192 1.00 42.97 N ATOM 419 CA GLY A 75 -27.723 18.940 -43.731 1.00 49.49 C ATOM 420 C GLY A 75 -27.864 20.143 -42.816 1.00 47.19 C ATOM 421 O GLY A 75 -26.840 20.737 -42.436 1.00 49.88 O ATOM 422 H GLY A 75 -29.373 17.548 -43.635 1.00 0.00 H ATOM 423 N ASP A 76 -29.089 20.534 -42.472 1.00 36.75 N ATOM 424 CA ASP A 76 -29.389 21.705 -41.662 1.00 31.70 C ATOM 425 C ASP A 76 -30.328 21.352 -40.521 1.00 24.31 C ATOM 426 O ASP A 76 -31.245 22.110 -40.195 1.00 31.23 O ATOM 427 CB ASP A 76 -30.053 22.770 -42.528 1.00 37.74 C ATOM 428 CG ASP A 76 -31.329 22.229 -43.187 1.00 51.44 C ATOM 429 OD1 ASP A 76 -31.554 20.987 -43.101 1.00 45.88 O ATOM 430 OD2 ASP A 76 -32.099 23.018 -43.778 1.00 61.58 O ATOM 431 H ASP A 76 -29.890 19.961 -42.806 1.00 0.00 H ATOM 432 N GLN A 77 -30.166 20.178 -39.917 1.00 23.08 N ATOM 433 CA GLN A 77 -31.131 19.690 -38.947 1.00 15.81 C ATOM 434 C GLN A 77 -30.828 20.155 -37.532 1.00 18.25 C ATOM 435 O GLN A 77 -29.672 20.252 -37.119 1.00 18.76 O ATOM 436 CB GLN A 77 -31.171 18.157 -38.973 1.00 17.94 C ATOM 437 CG GLN A 77 -31.581 17.578 -40.279 1.00 21.06 C ATOM 438 CD GLN A 77 -33.015 17.905 -40.614 1.00 17.92 C ATOM 439 OE1 GLN A 77 -33.923 17.633 -39.856 1.00 17.49 O ATOM 440 NE2 GLN A 77 -33.220 18.460 -41.799 1.00 27.24 N ATOM 441 HE22 GLN A 77 -32.413 18.677 -42.418 1.00 0.00 H ATOM 442 HE21 GLN A 77 -34.188 18.679 -42.110 1.00 0.00 H ATOM 443 H GLN A 77 -29.333 19.598 -40.143 1.00 0.00 H ATOM 444 N ASP A 78 -31.882 20.441 -36.791 1.00 15.65 N ATOM 445 CA ASP A 78 -31.748 20.806 -35.385 1.00 13.76 C ATOM 446 C ASP A 78 -33.051 20.401 -34.696 1.00 13.84 C ATOM 447 O ASP A 78 -33.937 21.228 -34.435 1.00 16.17 O ATOM 448 CB ASP A 78 -31.489 22.299 -35.248 1.00 14.84 C ATOM 449 CG ASP A 78 -31.011 22.705 -33.879 1.00 20.93 C ATOM 450 OD1 ASP A 78 -30.907 21.876 -33.007 1.00 18.85 O ATOM 451 OD2 ASP A 78 -30.602 23.865 -33.720 1.00 28.50 O ATOM 452 H ASP A 78 -32.829 20.405 -37.219 1.00 0.00 H ATOM 453 N ASN A 79 -33.181 19.107 -34.471 1.00 11.76 N ATOM 454 CA ASN A 79 -34.426 18.500 -34.015 1.00 10.94 C ATOM 455 C ASN A 79 -34.305 18.143 -32.545 1.00 11.73 C ATOM 456 O ASN A 79 -33.390 17.398 -32.162 1.00 12.29 O ATOM 457 CB ASN A 79 -34.741 17.231 -34.813 1.00 11.51 C ATOM 458 CG ASN A 79 -34.836 17.514 -36.285 1.00 13.93 C ATOM 459 OD1 ASN A 79 -35.598 18.374 -36.705 1.00 15.05 O ATOM 460 ND2 ASN A 79 -34.027 16.823 -37.074 1.00 13.42 N ATOM 461 HD22 ASN A 79 -33.397 16.101 -36.669 1.00 0.00 H ATOM 462 HD21 ASN A 79 -34.022 17.002 -38.098 1.00 0.00 H ATOM 463 H ASN A 79 -32.357 18.492 -34.626 1.00 0.00 H ATOM 464 N TRP A 80 -35.237 18.643 -31.746 1.00 12.18 N ATOM 465 CA TRP A 80 -35.243 18.428 -30.309 1.00 10.70 C ATOM 466 C TRP A 80 -36.392 17.546 -29.872 1.00 11.16 C ATOM 467 O TRP A 80 -37.520 17.658 -30.361 1.00 14.23 O ATOM 468 CB TRP A 80 -35.347 19.780 -29.589 1.00 11.74 C ATOM 469 CG TRP A 80 -34.073 20.563 -29.706 1.00 13.84 C ATOM 470 CD1 TRP A 80 -33.595 21.197 -30.828 1.00 14.32 C ATOM 471 CD2 TRP A 80 -33.124 20.838 -28.671 1.00 12.29 C ATOM 472 NE1 TRP A 80 -32.378 21.780 -30.564 1.00 14.02 N ATOM 473 CE2 TRP A 80 -32.093 21.623 -29.236 1.00 12.85 C ATOM 474 CE3 TRP A 80 -33.056 20.523 -27.319 1.00 14.42 C ATOM 475 CZ2 TRP A 80 -30.986 22.043 -28.511 1.00 13.67 C ATOM 476 CZ3 TRP A 80 -31.973 20.924 -26.603 1.00 14.79 C ATOM 477 CH2 TRP A 80 -30.944 21.703 -27.188 1.00 15.15 C ATOM 478 HE1 TRP A 80 -31.774 22.261 -31.260 1.00 0.00 H ATOM 479 H TRP A 80 -35.998 19.214 -32.166 1.00 0.00 H ATOM 480 N LEU A 81 -36.067 16.645 -28.964 1.00 9.52 N ATOM 481 CA LEU A 81 -36.997 15.757 -28.288 1.00 9.96 C ATOM 482 C LEU A 81 -36.839 16.063 -26.809 1.00 9.30 C ATOM 483 O LEU A 81 -35.718 16.047 -26.302 1.00 11.14 O ATOM 484 CB LEU A 81 -36.670 14.287 -28.609 1.00 8.72 C ATOM 485 CG LEU A 81 -37.402 13.229 -27.813 1.00 12.09 C ATOM 486 CD1 LEU A 81 -38.894 13.222 -28.200 1.00 12.40 C ATOM 487 CD2 LEU A 81 -36.741 11.876 -28.060 1.00 9.94 C ATOM 488 H LEU A 81 -35.061 16.564 -28.711 1.00 0.00 H ATOM 489 N ARG A 82 -37.936 16.329 -26.109 1.00 9.09 N ATOM 490 CA ARG A 82 -37.858 16.661 -24.685 1.00 9.45 C ATOM 491 C ARG A 82 -38.743 15.721 -23.874 1.00 10.03 C ATOM 492 O ARG A 82 -39.916 15.523 -24.209 1.00 11.51 O ATOM 493 CB ARG A 82 -38.286 18.117 -24.447 1.00 11.41 C ATOM 494 CG ARG A 82 -38.070 18.591 -23.020 1.00 10.71 C ATOM 495 CD ARG A 82 -39.044 19.677 -22.584 1.00 12.02 C ATOM 496 NE ARG A 82 -40.379 19.094 -22.521 1.00 13.04 N ATOM 497 CZ ARG A 82 -41.511 19.768 -22.407 1.00 11.69 C ATOM 498 NH1 ARG A 82 -41.491 21.083 -22.283 1.00 15.43 N ATOM 499 NH2 ARG A 82 -42.637 19.104 -22.377 1.00 14.69 N ATOM 500 HE ARG A 82 -40.447 18.057 -22.570 1.00 0.00 H ATOM 501 HH12 ARG A 82 -42.383 21.610 -22.194 1.00 0.00 H ATOM 502 HH11 ARG A 82 -40.583 21.591 -22.275 1.00 0.00 H ATOM 503 HH22 ARG A 82 -43.539 19.614 -22.288 1.00 0.00 H ATOM 504 HH21 ARG A 82 -42.631 18.066 -22.442 1.00 0.00 H ATOM 505 H ARG A 82 -38.863 16.301 -26.579 1.00 0.00 H ATOM 506 N THR A 83 -38.204 15.155 -22.807 1.00 9.43 N ATOM 507 CA THR A 83 -39.053 14.346 -21.931 1.00 9.80 C ATOM 508 C THR A 83 -40.169 15.205 -21.340 1.00 12.56 C ATOM 509 O THR A 83 -40.117 16.433 -21.376 1.00 11.93 O ATOM 510 CB THR A 83 -38.259 13.725 -20.787 1.00 10.58 C ATOM 511 OG1 THR A 83 -37.755 14.745 -19.893 1.00 11.68 O ATOM 512 CG2 THR A 83 -37.054 12.944 -21.247 1.00 11.15 C ATOM 513 HG1 THR A 83 -38.514 15.254 -19.514 1.00 0.00 H ATOM 514 H THR A 83 -37.194 15.283 -22.594 1.00 0.00 H ATOM 515 N ASN A 84 -41.167 14.562 -20.758 1.00 10.79 N ATOM 516 CA ASN A 84 -42.046 15.325 -19.900 1.00 13.84 C ATOM 517 C ASN A 84 -41.294 15.694 -18.630 1.00 10.99 C ATOM 518 O ASN A 84 -40.158 15.291 -18.411 1.00 11.87 O ATOM 519 CB ASN A 84 -43.295 14.537 -19.562 1.00 13.98 C ATOM 520 CG ASN A 84 -44.022 14.018 -20.800 1.00 16.30 C ATOM 521 OD1 ASN A 84 -44.156 14.686 -21.865 1.00 16.71 O ATOM 522 ND2 ASN A 84 -44.525 12.788 -20.654 1.00 20.83 N ATOM 523 HD22 ASN A 84 -44.391 12.274 -19.760 1.00 0.00 H ATOM 524 HD21 ASN A 84 -45.050 12.345 -21.435 1.00 0.00 H ATOM 525 H ASN A 84 -41.315 13.544 -20.912 1.00 0.00 H ATOM 526 N TRP A 85 -41.897 16.573 -17.840 1.00 12.46 N ATOM 527 CA TRP A 85 -41.296 16.936 -16.567 1.00 11.79 C ATOM 528 C TRP A 85 -41.178 15.687 -15.704 1.00 10.83 C ATOM 529 O TRP A 85 -42.132 14.889 -15.588 1.00 13.32 O ATOM 530 CB TRP A 85 -42.155 17.962 -15.881 1.00 12.30 C ATOM 531 CG TRP A 85 -41.700 18.521 -14.577 1.00 10.55 C ATOM 532 CD1 TRP A 85 -40.911 19.594 -14.396 1.00 13.60 C ATOM 533 CD2 TRP A 85 -42.129 18.098 -13.273 1.00 10.94 C ATOM 534 NE1 TRP A 85 -40.807 19.898 -13.041 1.00 14.28 N ATOM 535 CE2 TRP A 85 -41.531 18.973 -12.332 1.00 11.14 C ATOM 536 CE3 TRP A 85 -42.963 17.071 -12.804 1.00 12.10 C ATOM 537 CZ2 TRP A 85 -41.742 18.863 -10.957 1.00 12.55 C ATOM 538 CZ3 TRP A 85 -43.135 16.955 -11.405 1.00 14.50 C ATOM 539 CH2 TRP A 85 -42.510 17.832 -10.524 1.00 12.28 C ATOM 540 HE1 TRP A 85 -40.271 20.692 -12.635 1.00 0.00 H ATOM 541 H TRP A 85 -42.799 17.002 -18.131 1.00 0.00 H ATOM 542 N VAL A 86 -40.010 15.542 -15.093 1.00 10.66 N ATOM 543 CA VAL A 86 -39.665 14.398 -14.255 1.00 11.42 C ATOM 544 C VAL A 86 -39.492 14.877 -12.815 1.00 13.10 C ATOM 545 O VAL A 86 -38.644 15.731 -12.521 1.00 11.92 O ATOM 546 CB VAL A 86 -38.374 13.708 -14.715 1.00 13.84 C ATOM 547 CG1 VAL A 86 -38.130 12.463 -13.842 1.00 12.95 C ATOM 548 CG2 VAL A 86 -38.405 13.303 -16.186 1.00 12.33 C ATOM 549 H VAL A 86 -39.297 16.288 -15.219 1.00 0.00 H ATOM 550 N TYR A 87 -40.290 14.322 -11.920 1.00 13.51 N ATOM 551 CA TYR A 87 -40.123 14.620 -10.512 1.00 12.66 C ATOM 552 C TYR A 87 -38.783 14.078 -10.028 1.00 14.12 C ATOM 553 O TYR A 87 -38.450 12.909 -10.279 1.00 14.80 O ATOM 554 CB TYR A 87 -41.285 14.004 -9.726 1.00 13.45 C ATOM 555 CG TYR A 87 -41.176 14.214 -8.249 1.00 12.16 C ATOM 556 CD1 TYR A 87 -41.116 15.487 -7.701 1.00 11.59 C ATOM 557 CD2 TYR A 87 -41.202 13.145 -7.380 1.00 12.76 C ATOM 558 CE1 TYR A 87 -41.012 15.665 -6.334 1.00 12.80 C ATOM 559 CE2 TYR A 87 -41.102 13.331 -6.045 1.00 11.92 C ATOM 560 CZ TYR A 87 -41.035 14.571 -5.519 1.00 11.63 C ATOM 561 OH TYR A 87 -40.932 14.756 -4.173 1.00 16.48 O ATOM 562 HH TYR A 87 -40.895 15.726 -3.976 1.00 0.00 H ATOM 563 H TYR A 87 -41.040 13.670 -12.227 1.00 0.00 H ATOM 564 N ARG A 88 -38.009 14.928 -9.328 1.00 11.59 N ATOM 565 CA ARG A 88 -36.667 14.579 -8.890 1.00 13.41 C ATOM 566 C ARG A 88 -36.670 13.794 -7.604 1.00 15.56 C ATOM 567 O ARG A 88 -35.685 13.129 -7.309 1.00 15.54 O ATOM 568 CB ARG A 88 -35.857 15.882 -8.683 1.00 17.10 C ATOM 569 CG ARG A 88 -34.502 15.792 -7.977 1.00 22.14 C ATOM 570 CD ARG A 88 -33.878 17.161 -7.552 1.00 16.18 C ATOM 571 NE ARG A 88 -34.525 17.849 -6.480 1.00 20.79 N ATOM 572 CZ ARG A 88 -34.258 17.638 -5.210 1.00 31.22 C ATOM 573 NH1 ARG A 88 -33.350 16.728 -4.877 1.00 21.85 N ATOM 574 NH2 ARG A 88 -34.943 18.294 -4.287 1.00 39.66 N ATOM 575 HE ARG A 88 -35.249 18.557 -6.718 1.00 0.00 H ATOM 576 HH12 ARG A 88 -33.132 16.554 -3.875 1.00 0.00 H ATOM 577 HH11 ARG A 88 -32.857 16.190 -5.618 1.00 0.00 H ATOM 578 HH22 ARG A 88 -34.741 18.136 -3.279 1.00 0.00 H ATOM 579 HH21 ARG A 88 -35.683 18.968 -4.570 1.00 0.00 H ATOM 580 H ARG A 88 -38.384 15.869 -9.092 1.00 0.00 H ATOM 581 N GLY A 89 -37.753 13.827 -6.858 1.00 15.20 N ATOM 582 CA GLY A 89 -37.760 13.172 -5.580 1.00 17.08 C ATOM 583 C GLY A 89 -36.678 13.791 -4.729 1.00 16.60 C ATOM 584 O GLY A 89 -36.439 15.002 -4.747 1.00 16.39 O ATOM 585 H GLY A 89 -38.602 14.326 -7.193 1.00 0.00 H ATOM 586 N GLU A 90 -35.948 12.943 -4.028 1.00 17.02 N ATOM 587 CA GLU A 90 -34.871 13.412 -3.177 1.00 18.62 C ATOM 588 C GLU A 90 -33.486 13.253 -3.790 1.00 18.64 C ATOM 589 O GLU A 90 -32.491 13.427 -3.086 1.00 21.63 O ATOM 590 CB GLU A 90 -34.933 12.702 -1.829 1.00 18.50 C ATOM 591 CG GLU A 90 -36.298 12.881 -1.144 1.00 20.29 C ATOM 592 CD GLU A 90 -36.629 14.343 -0.903 1.00 29.52 C ATOM 593 OE1 GLU A 90 -35.757 15.048 -0.344 1.00 27.58 O ATOM 594 OE2 GLU A 90 -37.744 14.804 -1.278 1.00 25.90 O ATOM 595 H GLU A 90 -36.148 11.924 -4.087 1.00 0.00 H ATOM 596 N ALA A 91 -33.399 12.989 -5.084 1.00 18.52 N ATOM 597 CA ALA A 91 -32.114 12.713 -5.720 1.00 16.71 C ATOM 598 C ALA A 91 -31.236 13.956 -5.702 1.00 17.62 C ATOM 599 O ALA A 91 -31.667 15.017 -6.148 1.00 21.34 O ATOM 600 CB ALA A 91 -32.349 12.289 -7.165 1.00 21.10 C ATOM 601 H ALA A 91 -34.265 12.978 -5.660 1.00 0.00 H ATOM 602 N GLU A 92 -29.984 13.820 -5.271 1.00 17.38 N ATOM 603 CA GLU A 92 -28.965 14.856 -5.450 1.00 20.68 C ATOM 604 C GLU A 92 -28.291 14.684 -6.803 1.00 20.26 C ATOM 605 O GLU A 92 -28.042 15.655 -7.518 1.00 19.36 O ATOM 606 CB GLU A 92 -27.931 14.787 -4.320 1.00 22.44 C ATOM 607 CG GLU A 92 -26.706 15.713 -4.456 1.00 30.57 C ATOM 608 CD GLU A 92 -25.665 15.603 -3.296 1.00 44.66 C ATOM 609 OE1 GLU A 92 -25.788 14.745 -2.395 1.00 48.94 O ATOM 610 OE2 GLU A 92 -24.701 16.392 -3.298 1.00 42.58 O ATOM 611 H GLU A 92 -29.718 12.939 -4.786 1.00 0.00 H ATOM 612 N ARG A 93 -28.057 13.446 -7.192 1.00 16.42 N ATOM 613 CA ARG A 93 -27.463 13.115 -8.478 1.00 15.16 C ATOM 614 C ARG A 93 -28.367 12.102 -9.155 1.00 16.02 C ATOM 615 O ARG A 93 -28.851 11.175 -8.489 1.00 16.21 O ATOM 616 CB ARG A 93 -26.078 12.564 -8.288 1.00 16.68 C ATOM 617 CG ARG A 93 -25.380 12.456 -9.624 1.00 20.28 C ATOM 618 CD ARG A 93 -23.960 12.765 -9.512 1.00 21.79 C ATOM 619 NE ARG A 93 -23.294 12.835 -10.804 1.00 22.66 N ATOM 620 CZ ARG A 93 -22.650 13.898 -11.259 1.00 18.16 C ATOM 621 NH1 ARG A 93 -22.568 15.012 -10.532 1.00 20.33 N ATOM 622 NH2 ARG A 93 -22.028 13.805 -12.427 1.00 24.44 N ATOM 623 HE ARG A 93 -23.326 11.992 -11.412 1.00 0.00 H ATOM 624 HH12 ARG A 93 -22.058 15.839 -10.903 1.00 0.00 H ATOM 625 HH11 ARG A 93 -23.014 15.054 -9.593 1.00 0.00 H ATOM 626 HH22 ARG A 93 -21.514 14.624 -12.809 1.00 0.00 H ATOM 627 HH21 ARG A 93 -22.054 12.913 -12.961 1.00 0.00 H ATOM 628 H ARG A 93 -28.309 12.669 -6.549 1.00 0.00 H ATOM 629 N ILE A 94 -28.637 12.307 -10.446 1.00 14.12 N ATOM 630 CA ILE A 94 -29.445 11.361 -11.223 1.00 12.19 C ATOM 631 C ILE A 94 -28.532 10.657 -12.217 1.00 16.05 C ATOM 632 O ILE A 94 -27.563 11.236 -12.734 1.00 13.60 O ATOM 633 CB ILE A 94 -30.646 12.004 -11.940 1.00 13.16 C ATOM 634 CG1 ILE A 94 -30.162 13.104 -12.894 1.00 15.94 C ATOM 635 CG2 ILE A 94 -31.655 12.501 -10.886 1.00 14.00 C ATOM 636 CD1 ILE A 94 -31.235 13.663 -13.787 1.00 16.21 C ATOM 637 H ILE A 94 -28.265 13.159 -10.913 1.00 0.00 H ATOM 638 N PHE A 95 -28.813 9.375 -12.427 1.00 12.10 N ATOM 639 CA PHE A 95 -28.104 8.521 -13.376 1.00 11.94 C ATOM 640 C PHE A 95 -29.033 8.230 -14.542 1.00 12.73 C ATOM 641 O PHE A 95 -30.221 7.949 -14.352 1.00 13.52 O ATOM 642 CB PHE A 95 -27.647 7.246 -12.675 1.00 13.99 C ATOM 643 CG PHE A 95 -26.621 7.513 -11.647 1.00 13.33 C ATOM 644 CD1 PHE A 95 -26.997 7.875 -10.375 1.00 15.62 C ATOM 645 CD2 PHE A 95 -25.296 7.496 -11.964 1.00 17.14 C ATOM 646 CE1 PHE A 95 -26.049 8.194 -9.423 1.00 19.68 C ATOM 647 CE2 PHE A 95 -24.331 7.838 -11.016 1.00 19.33 C ATOM 648 CZ PHE A 95 -24.696 8.164 -9.763 1.00 19.86 C ATOM 649 H PHE A 95 -29.589 8.952 -11.879 1.00 0.00 H ATOM 650 N ILE A 96 -28.515 8.415 -15.747 1.00 10.75 N ATOM 651 CA ILE A 96 -29.291 8.406 -16.983 1.00 11.41 C ATOM 652 C ILE A 96 -28.728 7.303 -17.857 1.00 15.29 C ATOM 653 O ILE A 96 -27.553 7.355 -18.226 1.00 15.36 O ATOM 654 CB ILE A 96 -29.179 9.753 -17.712 1.00 12.13 C ATOM 655 CG1 ILE A 96 -29.668 10.903 -16.856 1.00 12.14 C ATOM 656 CG2 ILE A 96 -29.918 9.663 -19.036 1.00 12.82 C ATOM 657 CD1 ILE A 96 -29.095 12.236 -17.327 1.00 13.49 C ATOM 658 H ILE A 96 -27.490 8.577 -15.817 1.00 0.00 H ATOM 659 N GLU A 97 -29.535 6.314 -18.175 1.00 11.24 N ATOM 660 CA GLU A 97 -29.135 5.216 -19.059 1.00 10.31 C ATOM 661 C GLU A 97 -29.943 5.282 -20.341 1.00 11.00 C ATOM 662 O GLU A 97 -31.181 5.283 -20.290 1.00 10.86 O ATOM 663 CB GLU A 97 -29.375 3.859 -18.411 1.00 11.81 C ATOM 664 CG GLU A 97 -28.935 2.669 -19.243 1.00 16.69 C ATOM 665 CD GLU A 97 -29.503 1.360 -18.761 1.00 24.48 C ATOM 666 OE1 GLU A 97 -30.765 1.147 -18.745 1.00 19.72 O ATOM 667 OE2 GLU A 97 -28.623 0.539 -18.410 1.00 35.63 O ATOM 668 H GLU A 97 -30.498 6.311 -17.782 1.00 0.00 H ATOM 669 N LEU A 98 -29.240 5.326 -21.481 1.00 10.55 N ATOM 670 CA LEU A 98 -29.851 5.388 -22.806 1.00 11.11 C ATOM 671 C LEU A 98 -29.538 4.097 -23.548 1.00 9.95 C ATOM 672 O LEU A 98 -28.410 3.604 -23.475 1.00 11.73 O ATOM 673 CB LEU A 98 -29.304 6.584 -23.595 1.00 11.33 C ATOM 674 CG LEU A 98 -29.430 7.958 -22.931 1.00 11.25 C ATOM 675 CD1 LEU A 98 -28.813 8.978 -23.878 1.00 12.56 C ATOM 676 CD2 LEU A 98 -30.818 8.342 -22.573 1.00 12.46 C ATOM 677 H LEU A 98 -28.202 5.315 -21.419 1.00 0.00 H ATOM 678 N LYS A 99 -30.511 3.584 -24.311 1.00 10.32 N ATOM 679 CA LYS A 99 -30.268 2.496 -25.266 1.00 10.18 C ATOM 680 C LYS A 99 -30.771 2.941 -26.632 1.00 10.50 C ATOM 681 O LYS A 99 -31.868 3.493 -26.759 1.00 10.62 O ATOM 682 CB LYS A 99 -30.923 1.182 -24.856 1.00 11.56 C ATOM 683 CG LYS A 99 -30.529 0.719 -23.456 1.00 12.33 C ATOM 684 CD LYS A 99 -31.068 -0.652 -23.123 1.00 15.33 C ATOM 685 CE LYS A 99 -30.722 -1.050 -21.697 1.00 22.26 C ATOM 686 NZ LYS A 99 -31.414 -2.294 -21.325 1.00 25.00 N ATOM 687 HZ1 LYS A 99 -32.442 -2.152 -21.396 1.00 0.00 H ATOM 688 HZ2 LYS A 99 -31.123 -3.057 -21.969 1.00 0.00 H ATOM 689 HZ3 LYS A 99 -31.165 -2.549 -20.348 1.00 0.00 H ATOM 690 H LYS A 99 -31.473 3.970 -24.224 1.00 0.00 H ATOM 691 N PHE A 100 -29.935 2.764 -27.645 1.00 10.07 N ATOM 692 CA PHE A 100 -30.210 3.390 -28.933 1.00 8.41 C ATOM 693 C PHE A 100 -29.432 2.707 -30.039 1.00 12.20 C ATOM 694 O PHE A 100 -28.383 2.097 -29.799 1.00 10.55 O ATOM 695 CB PHE A 100 -29.870 4.893 -28.890 1.00 11.37 C ATOM 696 CG PHE A 100 -28.399 5.157 -28.607 1.00 10.79 C ATOM 697 CD1 PHE A 100 -27.915 5.101 -27.316 1.00 11.02 C ATOM 698 CD2 PHE A 100 -27.488 5.382 -29.619 1.00 10.86 C ATOM 699 CE1 PHE A 100 -26.558 5.261 -27.053 1.00 12.31 C ATOM 700 CE2 PHE A 100 -26.127 5.537 -29.348 1.00 10.51 C ATOM 701 CZ PHE A 100 -25.668 5.470 -28.087 1.00 11.31 C ATOM 702 H PHE A 100 -29.084 2.179 -27.521 1.00 0.00 H ATOM 703 N THR A 101 -29.949 2.853 -31.271 1.00 10.83 N ATOM 704 CA THR A 101 -29.266 2.413 -32.484 1.00 11.98 C ATOM 705 C THR A 101 -28.886 3.638 -33.310 1.00 11.73 C ATOM 706 O THR A 101 -29.551 4.680 -33.233 1.00 12.95 O ATOM 707 CB THR A 101 -30.110 1.480 -33.359 1.00 12.19 C ATOM 708 OG1 THR A 101 -31.320 2.125 -33.738 1.00 13.08 O ATOM 709 CG2 THR A 101 -30.480 0.227 -32.621 1.00 14.36 C ATOM 710 HG1 THR A 101 -31.109 2.947 -34.248 1.00 0.00 H ATOM 711 H THR A 101 -30.882 3.302 -31.365 1.00 0.00 H ATOM 712 N VAL A 102 -27.824 3.513 -34.109 1.00 11.15 N ATOM 713 CA VAL A 102 -27.407 4.578 -35.034 1.00 10.29 C ATOM 714 C VAL A 102 -27.062 3.889 -36.342 1.00 11.37 C ATOM 715 O VAL A 102 -26.243 2.965 -36.354 1.00 12.05 O ATOM 716 CB VAL A 102 -26.190 5.353 -34.516 1.00 10.54 C ATOM 717 CG1 VAL A 102 -25.778 6.347 -35.523 1.00 11.74 C ATOM 718 CG2 VAL A 102 -26.518 6.066 -33.216 1.00 12.92 C ATOM 719 H VAL A 102 -27.272 2.632 -34.076 1.00 0.00 H ATOM 720 N ARG A 103 -27.685 4.304 -37.425 1.00 11.28 N ATOM 721 CA ARG A 103 -27.331 3.708 -38.707 1.00 12.02 C ATOM 722 C ARG A 103 -26.054 4.325 -39.264 1.00 13.76 C ATOM 723 O ARG A 103 -25.831 5.536 -39.171 1.00 11.87 O ATOM 724 CB ARG A 103 -28.449 3.870 -39.724 1.00 11.74 C ATOM 725 CG ARG A 103 -29.681 3.083 -39.357 1.00 11.28 C ATOM 726 CD ARG A 103 -30.721 3.086 -40.468 1.00 13.32 C ATOM 727 NE ARG A 103 -30.280 2.295 -41.614 1.00 12.62 N ATOM 728 CZ ARG A 103 -30.995 2.073 -42.701 1.00 13.40 C ATOM 729 NH1 ARG A 103 -32.212 2.575 -42.823 1.00 13.64 N ATOM 730 NH2 ARG A 103 -30.487 1.328 -43.676 1.00 15.03 N ATOM 731 HE ARG A 103 -29.330 1.875 -41.570 1.00 0.00 H ATOM 732 HH12 ARG A 103 -32.766 2.393 -43.684 1.00 0.00 H ATOM 733 HH11 ARG A 103 -32.616 3.152 -42.058 1.00 0.00 H ATOM 734 HH22 ARG A 103 -31.043 1.148 -44.536 1.00 0.00 H ATOM 735 HH21 ARG A 103 -29.533 0.925 -43.579 1.00 0.00 H ATOM 736 H ARG A 103 -28.415 5.042 -37.367 1.00 0.00 H ATOM 737 N ASP A 104 -25.242 3.475 -39.885 1.00 12.10 N ATOM 738 CA ASP A 104 -24.023 3.879 -40.585 1.00 12.06 C ATOM 739 C ASP A 104 -24.356 4.945 -41.627 1.00 12.33 C ATOM 740 O ASP A 104 -25.259 4.755 -42.439 1.00 13.71 O ATOM 741 CB ASP A 104 -23.480 2.608 -41.246 1.00 14.16 C ATOM 742 CG ASP A 104 -22.212 2.773 -42.049 1.00 21.92 C ATOM 743 OD1 ASP A 104 -21.695 3.860 -42.209 1.00 14.20 O ATOM 744 OD2 ASP A 104 -21.831 1.751 -42.674 1.00 27.07 O ATOM 745 H ASP A 104 -25.488 2.465 -39.872 1.00 0.00 H ATOM 746 N CYS A 105 -23.650 6.075 -41.610 1.00 14.37 N ATOM 747 CA CYS A 105 -23.956 7.089 -42.619 1.00 15.89 C ATOM 748 C CYS A 105 -23.680 6.612 -44.044 1.00 15.50 C ATOM 749 O CYS A 105 -24.239 7.177 -44.994 1.00 14.87 O ATOM 750 CB CYS A 105 -23.186 8.380 -42.368 1.00 15.17 C ATOM 751 SG CYS A 105 -24.011 9.381 -41.080 1.00 19.50 S ATOM 752 H CYS A 105 -22.905 6.231 -40.902 1.00 0.00 H ATOM 753 N ASN A 106 -22.846 5.582 -44.225 1.00 13.98 N ATOM 754 CA ASN A 106 -22.611 5.026 -45.550 1.00 14.79 C ATOM 755 C ASN A 106 -23.822 4.276 -46.098 1.00 14.96 C ATOM 756 O ASN A 106 -23.802 3.879 -47.276 1.00 18.30 O ATOM 757 CB ASN A 106 -21.407 4.084 -45.474 1.00 16.51 C ATOM 758 CG ASN A 106 -20.110 4.816 -45.390 1.00 24.22 C ATOM 759 OD1 ASN A 106 -19.815 5.648 -46.231 1.00 25.37 O ATOM 760 ND2 ASN A 106 -19.354 4.561 -44.354 1.00 28.10 N ATOM 761 HD22 ASN A 106 -19.646 3.842 -43.662 1.00 0.00 H ATOM 762 HD21 ASN A 106 -18.461 5.077 -44.223 1.00 0.00 H ATOM 763 H ASN A 106 -22.357 5.171 -43.405 1.00 0.00 H ATOM 764 N SER A 107 -24.876 4.108 -45.286 1.00 14.36 N ATOM 765 CA SER A 107 -26.146 3.581 -45.767 1.00 14.70 C ATOM 766 C SER A 107 -26.881 4.512 -46.714 1.00 15.72 C ATOM 767 O SER A 107 -27.806 4.068 -47.413 1.00 17.97 O ATOM 768 CB SER A 107 -27.064 3.302 -44.592 1.00 15.89 C ATOM 769 OG SER A 107 -26.445 2.430 -43.655 1.00 20.40 O ATOM 770 HG SER A 107 -27.064 2.265 -42.900 1.00 0.00 H ATOM 771 H SER A 107 -24.784 4.362 -44.282 1.00 0.00 H ATOM 772 N PHE A 108 -26.499 5.780 -46.754 1.00 17.13 N ATOM 773 CA PHE A 108 -27.304 6.806 -47.407 1.00 15.96 C ATOM 774 C PHE A 108 -26.475 7.422 -48.507 1.00 19.50 C ATOM 775 O PHE A 108 -25.608 8.266 -48.234 1.00 22.14 O ATOM 776 CB PHE A 108 -27.716 7.833 -46.374 1.00 16.04 C ATOM 777 CG PHE A 108 -28.266 7.215 -45.125 1.00 15.11 C ATOM 778 CD1 PHE A 108 -29.419 6.455 -45.146 1.00 15.15 C ATOM 779 CD2 PHE A 108 -27.631 7.378 -43.941 1.00 13.57 C ATOM 780 CE1 PHE A 108 -29.922 5.902 -43.964 1.00 13.66 C ATOM 781 CE2 PHE A 108 -28.101 6.815 -42.776 1.00 12.79 C ATOM 782 CZ PHE A 108 -29.257 6.059 -42.800 1.00 12.85 C ATOM 783 H PHE A 108 -25.600 6.051 -46.307 1.00 0.00 H ATOM 784 N PRO A 109 -26.700 7.033 -49.742 1.00 24.38 N ATOM 785 CA PRO A 109 -25.880 7.562 -50.831 1.00 27.28 C ATOM 786 C PRO A 109 -26.027 9.071 -50.935 1.00 26.29 C ATOM 787 O PRO A 109 -27.135 9.611 -50.903 1.00 26.23 O ATOM 788 CB PRO A 109 -26.431 6.843 -52.065 1.00 24.49 C ATOM 789 CG PRO A 109 -27.020 5.597 -51.568 1.00 24.63 C ATOM 790 CD PRO A 109 -27.547 5.904 -50.176 1.00 21.07 C ATOM 791 N GLY A 110 -24.888 9.754 -51.005 1.00 29.03 N ATOM 792 CA GLY A 110 -24.879 11.190 -51.107 1.00 37.47 C ATOM 793 C GLY A 110 -24.952 11.900 -49.785 1.00 36.24 C ATOM 794 O GLY A 110 -25.051 13.133 -49.772 1.00 31.58 O ATOM 795 H GLY A 110 -23.984 9.240 -50.986 1.00 0.00 H ATOM 796 N GLY A 111 -24.936 11.168 -48.674 1.00 29.12 N ATOM 797 CA GLY A 111 -25.047 11.746 -47.354 1.00 30.28 C ATOM 798 C GLY A 111 -23.738 12.046 -46.664 1.00 31.61 C ATOM 799 O GLY A 111 -23.735 12.291 -45.453 1.00 27.18 O ATOM 800 H GLY A 111 -24.840 10.136 -48.759 1.00 0.00 H ATOM 801 N ALA A 112 -22.615 12.038 -47.378 1.00 40.20 N ATOM 802 CA ALA A 112 -21.316 12.107 -46.717 1.00 43.07 C ATOM 803 C ALA A 112 -21.213 13.300 -45.769 1.00 39.72 C ATOM 804 O ALA A 112 -20.766 13.156 -44.624 1.00 35.80 O ATOM 805 CB ALA A 112 -20.200 12.165 -47.765 1.00 32.72 C ATOM 806 H ALA A 112 -22.664 11.982 -48.415 1.00 0.00 H ATOM 807 N SER A 113 -21.592 14.497 -46.242 1.00 39.22 N ATOM 808 CA SER A 113 -21.430 15.715 -45.462 1.00 39.95 C ATOM 809 C SER A 113 -22.666 16.083 -44.655 1.00 41.41 C ATOM 810 O SER A 113 -22.544 16.832 -43.681 1.00 43.07 O ATOM 811 CB SER A 113 -21.071 16.903 -46.368 1.00 41.81 C ATOM 812 OG SER A 113 -22.158 17.307 -47.183 1.00 47.80 O ATOM 813 HG SER A 113 -22.434 16.552 -47.761 1.00 0.00 H ATOM 814 H SER A 113 -22.013 14.556 -47.191 1.00 0.00 H ATOM 815 N SER A 114 -23.842 15.571 -45.021 1.00 29.03 N ATOM 816 CA SER A 114 -25.068 15.920 -44.314 1.00 25.72 C ATOM 817 C SER A 114 -25.403 14.963 -43.188 1.00 24.60 C ATOM 818 O SER A 114 -26.144 15.330 -42.265 1.00 24.83 O ATOM 819 CB SER A 114 -26.243 15.937 -45.297 1.00 29.16 C ATOM 820 OG SER A 114 -26.316 14.700 -45.998 1.00 29.27 O ATOM 821 HG SER A 114 -26.445 13.962 -45.351 1.00 0.00 H ATOM 822 H SER A 114 -23.885 14.912 -45.824 1.00 0.00 H ATOM 823 N CYS A 115 -24.858 13.762 -43.226 1.00 24.00 N ATOM 824 CA CYS A 115 -25.221 12.741 -42.248 1.00 22.95 C ATOM 825 C CYS A 115 -24.225 12.760 -41.098 1.00 19.63 C ATOM 826 O CYS A 115 -23.028 12.913 -41.317 1.00 20.64 O ATOM 827 CB CYS A 115 -25.249 11.362 -42.913 1.00 20.05 C ATOM 828 SG CYS A 115 -25.804 10.008 -41.851 1.00 18.94 S ATOM 829 H CYS A 115 -24.159 13.539 -43.964 1.00 0.00 H ATOM 830 N LYS A 116 -24.728 12.595 -39.869 1.00 19.04 N ATOM 831 CA LYS A 116 -23.917 12.474 -38.654 1.00 15.02 C ATOM 832 C LYS A 116 -24.186 11.123 -37.983 1.00 13.62 C ATOM 833 O LYS A 116 -25.186 10.465 -38.308 1.00 16.33 O ATOM 834 CB LYS A 116 -24.259 13.639 -37.721 1.00 17.81 C ATOM 835 CG LYS A 116 -24.066 15.013 -38.422 1.00 28.15 C ATOM 836 CD LYS A 116 -22.609 15.266 -38.710 1.00 43.13 C ATOM 837 CE LYS A 116 -22.393 16.669 -39.290 1.00 61.41 C ATOM 838 NZ LYS A 116 -21.819 16.660 -40.673 1.00 67.54 N ATOM 839 HZ1 LYS A 116 -20.896 16.181 -40.661 1.00 0.00 H ATOM 840 HZ2 LYS A 116 -22.465 16.154 -41.312 1.00 0.00 H ATOM 841 HZ3 LYS A 116 -21.699 17.639 -41.004 1.00 0.00 H ATOM 842 H LYS A 116 -25.762 12.550 -39.769 1.00 0.00 H ATOM 843 N GLU A 117 -23.319 10.702 -36.998 1.00 14.17 N ATOM 844 CA GLU A 117 -23.499 9.449 -36.246 1.00 13.07 C ATOM 845 C GLU A 117 -23.517 9.661 -34.731 1.00 14.11 C ATOM 846 O GLU A 117 -23.415 8.690 -33.975 1.00 17.49 O ATOM 847 CB GLU A 117 -22.426 8.387 -36.601 1.00 14.55 C ATOM 848 CG GLU A 117 -22.573 7.914 -38.031 1.00 16.46 C ATOM 849 CD GLU A 117 -21.481 6.966 -38.538 1.00 27.62 C ATOM 850 OE1 GLU A 117 -20.456 6.783 -37.818 1.00 28.71 O ATOM 851 OE2 GLU A 117 -21.646 6.431 -39.676 1.00 19.88 O ATOM 852 H GLU A 117 -22.497 11.299 -36.775 1.00 0.00 H ATOM 853 N THR A 118 -23.742 10.886 -34.281 1.00 12.49 N ATOM 854 CA THR A 118 -23.914 11.178 -32.865 1.00 12.86 C ATOM 855 C THR A 118 -25.171 12.014 -32.669 1.00 12.16 C ATOM 856 O THR A 118 -25.738 12.549 -33.628 1.00 13.75 O ATOM 857 CB THR A 118 -22.724 11.938 -32.301 1.00 13.29 C ATOM 858 OG1 THR A 118 -22.613 13.203 -32.956 1.00 16.53 O ATOM 859 CG2 THR A 118 -21.413 11.190 -32.571 1.00 13.62 C ATOM 860 HG1 THR A 118 -23.440 13.725 -32.805 1.00 0.00 H ATOM 861 H THR A 118 -23.798 11.668 -34.964 1.00 0.00 H ATOM 862 N PHE A 119 -25.581 12.169 -31.405 1.00 11.18 N ATOM 863 CA PHE A 119 -26.622 13.120 -31.034 1.00 12.80 C ATOM 864 C PHE A 119 -26.222 13.701 -29.688 1.00 12.29 C ATOM 865 O PHE A 119 -25.253 13.248 -29.087 1.00 12.27 O ATOM 866 CB PHE A 119 -28.031 12.501 -31.011 1.00 10.91 C ATOM 867 CG PHE A 119 -28.228 11.370 -30.021 1.00 11.31 C ATOM 868 CD1 PHE A 119 -27.846 10.085 -30.305 1.00 12.54 C ATOM 869 CD2 PHE A 119 -28.826 11.612 -28.790 1.00 17.30 C ATOM 870 CE1 PHE A 119 -28.051 9.071 -29.376 1.00 13.14 C ATOM 871 CE2 PHE A 119 -28.997 10.578 -27.841 1.00 16.87 C ATOM 872 CZ PHE A 119 -28.654 9.315 -28.163 1.00 15.10 C ATOM 873 H PHE A 119 -25.142 11.591 -30.661 1.00 0.00 H ATOM 874 N ASN A 120 -26.904 14.752 -29.243 1.00 11.48 N ATOM 875 CA ASN A 120 -26.523 15.454 -28.029 1.00 10.74 C ATOM 876 C ASN A 120 -27.581 15.305 -26.956 1.00 11.02 C ATOM 877 O ASN A 120 -28.782 15.342 -27.245 1.00 11.83 O ATOM 878 CB ASN A 120 -26.296 16.930 -28.310 1.00 10.65 C ATOM 879 CG ASN A 120 -25.127 17.157 -29.226 1.00 14.03 C ATOM 880 OD1 ASN A 120 -24.096 16.480 -29.132 1.00 14.15 O ATOM 881 ND2 ASN A 120 -25.224 18.175 -30.051 1.00 16.27 N ATOM 882 HD22 ASN A 120 -26.108 18.721 -30.102 1.00 0.00 H ATOM 883 HD21 ASN A 120 -24.417 18.435 -30.653 1.00 0.00 H ATOM 884 H ASN A 120 -27.733 15.081 -29.778 1.00 0.00 H ATOM 885 N LEU A 121 -27.117 15.186 -25.716 1.00 9.69 N ATOM 886 CA LEU A 121 -27.963 15.035 -24.547 1.00 10.79 C ATOM 887 C LEU A 121 -27.846 16.293 -23.697 1.00 8.92 C ATOM 888 O LEU A 121 -26.736 16.743 -23.436 1.00 11.06 O ATOM 889 CB LEU A 121 -27.538 13.816 -23.726 1.00 11.42 C ATOM 890 CG LEU A 121 -28.246 13.610 -22.396 1.00 10.02 C ATOM 891 CD1 LEU A 121 -29.701 13.260 -22.547 1.00 12.24 C ATOM 892 CD2 LEU A 121 -27.515 12.523 -21.604 1.00 13.39 C ATOM 893 H LEU A 121 -26.087 15.202 -25.576 1.00 0.00 H ATOM 894 N TYR A 122 -28.996 16.829 -23.276 1.00 8.72 N ATOM 895 CA TYR A 122 -29.146 18.041 -22.459 1.00 9.76 C ATOM 896 C TYR A 122 -30.066 17.781 -21.266 1.00 10.17 C ATOM 897 O TYR A 122 -30.843 16.831 -21.260 1.00 10.31 O ATOM 898 CB TYR A 122 -29.767 19.220 -23.293 1.00 11.42 C ATOM 899 CG TYR A 122 -28.919 19.756 -24.382 1.00 9.68 C ATOM 900 CD1 TYR A 122 -28.871 19.078 -25.591 1.00 12.29 C ATOM 901 CD2 TYR A 122 -28.268 20.978 -24.289 1.00 11.40 C ATOM 902 CE1 TYR A 122 -28.134 19.556 -26.622 1.00 14.40 C ATOM 903 CE2 TYR A 122 -27.503 21.452 -25.334 1.00 14.55 C ATOM 904 CZ TYR A 122 -27.493 20.739 -26.514 1.00 14.91 C ATOM 905 OH TYR A 122 -26.778 21.139 -27.639 1.00 21.68 O ATOM 906 HH TYR A 122 -26.914 20.481 -28.366 1.00 0.00 H ATOM 907 H TYR A 122 -29.871 16.340 -23.554 1.00 0.00 H ATOM 908 N TYR A 123 -30.015 18.694 -20.278 1.00 11.35 N ATOM 909 CA TYR A 123 -31.011 18.709 -19.221 1.00 10.51 C ATOM 910 C TYR A 123 -31.342 20.135 -18.811 1.00 11.11 C ATOM 911 O TYR A 123 -30.608 21.080 -19.094 1.00 11.33 O ATOM 912 CB TYR A 123 -30.531 17.956 -17.946 1.00 12.92 C ATOM 913 CG TYR A 123 -29.529 18.702 -17.075 1.00 11.94 C ATOM 914 CD1 TYR A 123 -28.243 18.915 -17.461 1.00 12.82 C ATOM 915 CD2 TYR A 123 -29.938 19.251 -15.873 1.00 15.53 C ATOM 916 CE1 TYR A 123 -27.368 19.631 -16.682 1.00 15.30 C ATOM 917 CE2 TYR A 123 -29.104 19.960 -15.102 1.00 18.17 C ATOM 918 CZ TYR A 123 -27.803 20.140 -15.479 1.00 20.35 C ATOM 919 OH TYR A 123 -26.926 20.875 -14.675 1.00 26.30 O ATOM 920 HH TYR A 123 -27.270 21.797 -14.570 1.00 0.00 H ATOM 921 H TYR A 123 -29.251 19.399 -20.272 1.00 0.00 H ATOM 922 N ALA A 124 -32.459 20.261 -18.115 1.00 10.41 N ATOM 923 CA ALA A 124 -32.820 21.511 -17.474 1.00 11.09 C ATOM 924 C ALA A 124 -33.497 21.169 -16.163 1.00 12.63 C ATOM 925 O ALA A 124 -34.363 20.301 -16.126 1.00 13.19 O ATOM 926 CB ALA A 124 -33.768 22.373 -18.347 1.00 12.53 C ATOM 927 H ALA A 124 -33.095 19.443 -18.025 1.00 0.00 H ATOM 928 N GLU A 125 -33.221 21.949 -15.126 1.00 13.83 N ATOM 929 CA GLU A 125 -33.941 21.786 -13.874 1.00 14.16 C ATOM 930 C GLU A 125 -35.100 22.764 -13.837 1.00 14.05 C ATOM 931 O GLU A 125 -35.002 23.885 -14.330 1.00 15.91 O ATOM 932 CB GLU A 125 -33.071 22.083 -12.658 1.00 14.50 C ATOM 933 CG GLU A 125 -31.874 21.199 -12.458 1.00 19.77 C ATOM 934 CD GLU A 125 -31.293 21.464 -11.089 1.00 22.38 C ATOM 935 OE1 GLU A 125 -31.995 21.144 -10.112 1.00 20.81 O ATOM 936 OE2 GLU A 125 -30.155 22.006 -10.987 1.00 23.20 O ATOM 937 H GLU A 125 -32.486 22.680 -15.209 1.00 0.00 H ATOM 938 N SER A 126 -36.201 22.360 -13.209 1.00 13.01 N ATOM 939 CA SER A 126 -37.334 23.270 -13.120 1.00 14.55 C ATOM 940 C SER A 126 -38.263 22.910 -11.967 1.00 13.07 C ATOM 941 O SER A 126 -38.671 21.752 -11.853 1.00 13.63 O ATOM 942 CB SER A 126 -38.154 23.202 -14.426 1.00 23.95 C ATOM 943 OG SER A 126 -39.134 24.202 -14.400 1.00 28.67 O ATOM 944 HG SER A 126 -39.730 24.058 -13.623 1.00 0.00 H ATOM 945 H SER A 126 -36.252 21.410 -12.789 1.00 0.00 H ATOM 946 N ASP A 127 -38.659 23.900 -11.169 1.00 12.64 N ATOM 947 CA ASP A 127 -39.720 23.646 -10.201 1.00 13.84 C ATOM 948 C ASP A 127 -41.061 23.443 -10.885 1.00 14.87 C ATOM 949 O ASP A 127 -41.853 22.608 -10.456 1.00 18.07 O ATOM 950 CB ASP A 127 -39.866 24.810 -9.231 1.00 15.56 C ATOM 951 CG ASP A 127 -38.802 24.837 -8.163 1.00 19.71 C ATOM 952 OD1 ASP A 127 -38.173 23.827 -7.807 1.00 16.64 O ATOM 953 OD2 ASP A 127 -38.622 25.929 -7.603 1.00 22.27 O ATOM 954 H ASP A 127 -38.218 24.840 -11.235 1.00 0.00 H ATOM 955 N LEU A 128 -41.266 24.092 -12.011 1.00 14.24 N ATOM 956 CA LEU A 128 -42.537 24.107 -12.710 1.00 13.87 C ATOM 957 C LEU A 128 -42.530 23.139 -13.867 1.00 13.75 C ATOM 958 O LEU A 128 -41.512 22.981 -14.549 1.00 14.61 O ATOM 959 CB LEU A 128 -42.823 25.467 -13.340 1.00 19.77 C ATOM 960 CG LEU A 128 -43.133 26.633 -12.482 1.00 23.38 C ATOM 961 CD1 LEU A 128 -43.537 27.792 -13.416 1.00 26.68 C ATOM 962 CD2 LEU A 128 -44.215 26.393 -11.533 1.00 22.30 C ATOM 963 H LEU A 128 -40.473 24.624 -12.423 1.00 0.00 H ATOM 964 N ASP A 129 -43.674 22.518 -14.110 1.00 12.80 N ATOM 965 CA ASP A 129 -43.886 21.770 -15.352 1.00 13.27 C ATOM 966 C ASP A 129 -44.303 22.786 -16.408 1.00 12.30 C ATOM 967 O ASP A 129 -45.391 23.355 -16.337 1.00 13.84 O ATOM 968 CB ASP A 129 -44.911 20.673 -15.119 1.00 13.66 C ATOM 969 CG ASP A 129 -45.170 19.824 -16.329 1.00 15.97 C ATOM 970 OD1 ASP A 129 -44.789 20.190 -17.459 1.00 18.58 O ATOM 971 OD2 ASP A 129 -45.636 18.708 -16.115 1.00 15.92 O ATOM 972 H ASP A 129 -44.437 22.562 -13.405 1.00 0.00 H ATOM 973 N TYR A 130 -43.428 23.037 -17.372 1.00 14.73 N ATOM 974 CA TYR A 130 -43.715 23.997 -18.435 1.00 18.56 C ATOM 975 C TYR A 130 -44.672 23.472 -19.487 1.00 16.22 C ATOM 976 O TYR A 130 -45.068 24.240 -20.375 1.00 13.77 O ATOM 977 CB TYR A 130 -42.412 24.481 -19.062 1.00 17.20 C ATOM 978 CG TYR A 130 -41.717 25.524 -18.187 1.00 19.74 C ATOM 979 CD1 TYR A 130 -42.266 26.791 -18.012 1.00 34.21 C ATOM 980 CD2 TYR A 130 -40.538 25.241 -17.549 1.00 29.22 C ATOM 981 CE1 TYR A 130 -41.664 27.734 -17.204 1.00 47.08 C ATOM 982 CE2 TYR A 130 -39.910 26.190 -16.734 1.00 36.68 C ATOM 983 CZ TYR A 130 -40.481 27.431 -16.570 1.00 47.67 C ATOM 984 OH TYR A 130 -39.871 28.369 -15.773 1.00 59.17 O ATOM 985 HH TYR A 130 -39.794 28.017 -14.851 1.00 0.00 H ATOM 986 H TYR A 130 -42.515 22.538 -17.371 1.00 0.00 H ATOM 987 N GLY A 131 -45.050 22.202 -19.428 1.00 15.76 N ATOM 988 CA GLY A 131 -46.013 21.706 -20.381 1.00 14.05 C ATOM 989 C GLY A 131 -45.517 21.777 -21.803 1.00 12.42 C ATOM 990 O GLY A 131 -44.405 21.328 -22.123 1.00 13.18 O ATOM 991 H GLY A 131 -44.656 21.570 -18.702 1.00 0.00 H ATOM 992 N THR A 132 -46.344 22.396 -22.642 1.00 14.96 N ATOM 993 CA THR A 132 -46.049 22.512 -24.056 1.00 16.37 C ATOM 994 C THR A 132 -45.052 23.619 -24.367 1.00 15.11 C ATOM 995 O THR A 132 -44.661 23.760 -25.528 1.00 17.71 O ATOM 996 CB THR A 132 -47.350 22.767 -24.822 1.00 19.18 C ATOM 997 OG1 THR A 132 -48.006 23.954 -24.356 1.00 23.28 O ATOM 998 CG2 THR A 132 -48.340 21.637 -24.574 1.00 29.22 C ATOM 999 HG1 THR A 132 -47.407 24.732 -24.484 1.00 0.00 H ATOM 1000 H THR A 132 -47.225 22.807 -22.273 1.00 0.00 H ATOM 1001 N ASN A 133 -44.642 24.401 -23.373 1.00 13.65 N ATOM 1002 CA ASN A 133 -43.685 25.483 -23.587 1.00 13.65 C ATOM 1003 C ASN A 133 -42.275 24.925 -23.575 1.00 13.44 C ATOM 1004 O ASN A 133 -41.931 24.092 -22.720 1.00 15.28 O ATOM 1005 CB ASN A 133 -43.843 26.537 -22.510 1.00 14.09 C ATOM 1006 CG ASN A 133 -45.243 27.148 -22.508 1.00 15.74 C ATOM 1007 OD1 ASN A 133 -45.619 27.887 -23.401 1.00 17.84 O ATOM 1008 ND2 ASN A 133 -46.069 26.749 -21.507 1.00 20.35 N ATOM 1009 HD22 ASN A 133 -45.714 26.117 -20.761 1.00 0.00 H ATOM 1010 HD21 ASN A 133 -47.056 27.075 -21.487 1.00 0.00 H ATOM 1011 H ASN A 133 -45.014 24.237 -22.416 1.00 0.00 H ATOM 1012 N PHE A 134 -41.499 25.301 -24.586 1.00 13.61 N ATOM 1013 CA PHE A 134 -40.150 24.769 -24.717 1.00 13.38 C ATOM 1014 C PHE A 134 -39.197 25.900 -25.071 1.00 14.23 C ATOM 1015 O PHE A 134 -39.322 26.528 -26.132 1.00 14.85 O ATOM 1016 CB PHE A 134 -40.128 23.634 -25.754 1.00 15.14 C ATOM 1017 CG PHE A 134 -38.738 23.156 -26.096 1.00 14.42 C ATOM 1018 CD1 PHE A 134 -37.948 22.549 -25.169 1.00 15.84 C ATOM 1019 CD2 PHE A 134 -38.258 23.276 -27.363 1.00 16.82 C ATOM 1020 CE1 PHE A 134 -36.663 22.088 -25.510 1.00 15.66 C ATOM 1021 CE2 PHE A 134 -36.979 22.826 -27.676 1.00 15.19 C ATOM 1022 CZ PHE A 134 -36.216 22.252 -26.761 1.00 15.92 C ATOM 1023 H PHE A 134 -41.857 25.979 -25.288 1.00 0.00 H ATOM 1024 N GLN A 135 -38.225 26.131 -24.190 1.00 14.16 N ATOM 1025 CA GLN A 135 -37.195 27.150 -24.399 1.00 18.54 C ATOM 1026 C GLN A 135 -35.831 26.468 -24.311 1.00 21.30 C ATOM 1027 O GLN A 135 -35.357 26.132 -23.219 1.00 17.88 O ATOM 1028 CB GLN A 135 -37.334 28.268 -23.359 1.00 20.51 C ATOM 1029 CG GLN A 135 -36.216 29.312 -23.370 1.00 23.69 C ATOM 1030 CD GLN A 135 -35.985 29.960 -24.721 1.00 28.47 C ATOM 1031 OE1 GLN A 135 -35.132 29.525 -25.522 1.00 25.24 O ATOM 1032 NE2 GLN A 135 -36.743 31.026 -24.986 1.00 30.03 N ATOM 1033 HE22 GLN A 135 -37.442 31.354 -24.289 1.00 0.00 H ATOM 1034 HE21 GLN A 135 -36.635 31.529 -25.890 1.00 0.00 H ATOM 1035 H GLN A 135 -38.197 25.564 -23.318 1.00 0.00 H ATOM 1036 N LYS A 136 -35.191 26.311 -25.471 1.00 19.83 N ATOM 1037 CA LYS A 136 -33.900 25.653 -25.543 1.00 20.32 C ATOM 1038 C LYS A 136 -32.857 26.327 -24.687 1.00 17.40 C ATOM 1039 O LYS A 136 -31.942 25.656 -24.192 1.00 16.64 O ATOM 1040 CB LYS A 136 -33.336 25.699 -26.961 1.00 28.45 C ATOM 1041 CG LYS A 136 -33.968 24.896 -27.949 1.00 31.87 C ATOM 1042 CD LYS A 136 -33.349 25.262 -29.291 1.00 21.40 C ATOM 1043 CE LYS A 136 -34.127 24.642 -30.390 1.00 29.80 C ATOM 1044 NZ LYS A 136 -33.531 24.959 -31.693 1.00 31.83 N ATOM 1045 HZ1 LYS A 136 -33.523 25.990 -31.827 1.00 0.00 H ATOM 1046 HZ2 LYS A 136 -32.557 24.596 -31.725 1.00 0.00 H ATOM 1047 HZ3 LYS A 136 -34.093 24.514 -32.447 1.00 0.00 H ATOM 1048 H LYS A 136 -35.628 26.669 -26.344 1.00 0.00 H ATOM 1049 N ARG A 137 -32.950 27.645 -24.538 1.00 21.22 N ATOM 1050 CA ARG A 137 -31.933 28.405 -23.816 1.00 26.61 C ATOM 1051 C ARG A 137 -31.788 27.979 -22.374 1.00 23.96 C ATOM 1052 O ARG A 137 -30.781 28.328 -21.744 1.00 24.53 O ATOM 1053 CB ARG A 137 -32.191 29.911 -23.920 1.00 25.05 C ATOM 1054 CG ARG A 137 -32.101 30.336 -25.363 1.00 44.78 C ATOM 1055 CD ARG A 137 -31.888 31.839 -25.581 1.00 68.74 C ATOM 1056 NE ARG A 137 -33.076 32.669 -25.428 1.00 89.42 N ATOM 1057 CZ ARG A 137 -34.070 32.721 -26.308 1.00101.07 C ATOM 1058 NH1 ARG A 137 -34.046 31.946 -27.388 1.00106.98 N ATOM 1059 NH2 ARG A 137 -35.100 33.531 -26.097 1.00100.16 N ATOM 1060 HE ARG A 137 -33.151 33.259 -24.575 1.00 0.00 H ATOM 1061 HH12 ARG A 137 -34.825 31.988 -28.076 1.00 0.00 H ATOM 1062 HH11 ARG A 137 -33.248 31.298 -27.545 1.00 0.00 H ATOM 1063 HH22 ARG A 137 -35.879 33.572 -26.785 1.00 0.00 H ATOM 1064 HH21 ARG A 137 -35.129 34.124 -25.243 1.00 0.00 H ATOM 1065 H ARG A 137 -33.765 28.146 -24.945 1.00 0.00 H ATOM 1066 N LEU A 138 -32.818 27.366 -21.806 1.00 18.53 N ATOM 1067 CA LEU A 138 -32.787 26.885 -20.433 1.00 18.91 C ATOM 1068 C LEU A 138 -32.010 25.583 -20.244 1.00 17.52 C ATOM 1069 O LEU A 138 -31.816 25.156 -19.096 1.00 17.34 O ATOM 1070 CB LEU A 138 -34.210 26.728 -19.919 1.00 22.06 C ATOM 1071 CG LEU A 138 -34.932 28.081 -19.837 1.00 28.88 C ATOM 1072 CD1 LEU A 138 -36.414 27.861 -19.597 1.00 36.24 C ATOM 1073 CD2 LEU A 138 -34.326 28.992 -18.784 1.00 30.69 C ATOM 1074 H LEU A 138 -33.683 27.223 -22.365 1.00 0.00 H ATOM 1075 N PHE A 139 -31.606 24.914 -21.321 1.00 14.92 N ATOM 1076 CA PHE A 139 -30.984 23.599 -21.253 1.00 11.88 C ATOM 1077 C PHE A 139 -29.462 23.693 -21.295 1.00 13.70 C ATOM 1078 O PHE A 139 -28.884 24.564 -21.955 1.00 15.83 O ATOM 1079 CB PHE A 139 -31.489 22.730 -22.396 1.00 12.15 C ATOM 1080 CG PHE A 139 -32.902 22.213 -22.176 1.00 10.44 C ATOM 1081 CD1 PHE A 139 -33.995 23.032 -22.345 1.00 11.75 C ATOM 1082 CD2 PHE A 139 -33.103 20.908 -21.692 1.00 12.60 C ATOM 1083 CE1 PHE A 139 -35.299 22.569 -22.116 1.00 14.92 C ATOM 1084 CE2 PHE A 139 -34.357 20.444 -21.456 1.00 12.32 C ATOM 1085 CZ PHE A 139 -35.472 21.267 -21.643 1.00 13.13 C ATOM 1086 H PHE A 139 -31.741 25.351 -22.255 1.00 0.00 H ATOM 1087 N THR A 140 -28.832 22.812 -20.529 1.00 11.08 N ATOM 1088 CA THR A 140 -27.390 22.676 -20.399 1.00 10.88 C ATOM 1089 C THR A 140 -26.982 21.335 -21.015 1.00 9.93 C ATOM 1090 O THR A 140 -27.600 20.298 -20.738 1.00 11.60 O ATOM 1091 CB THR A 140 -27.005 22.710 -18.920 1.00 15.26 C ATOM 1092 OG1 THR A 140 -27.331 23.991 -18.371 1.00 17.86 O ATOM 1093 CG2 THR A 140 -25.535 22.525 -18.698 1.00 18.36 C ATOM 1094 HG1 THR A 140 -28.304 24.150 -18.463 1.00 0.00 H ATOM 1095 H THR A 140 -29.422 22.161 -19.972 1.00 0.00 H ATOM 1096 N LYS A 141 -25.947 21.361 -21.841 1.00 11.51 N ATOM 1097 CA LYS A 141 -25.460 20.128 -22.446 1.00 12.01 C ATOM 1098 C LYS A 141 -24.837 19.217 -21.395 1.00 11.48 C ATOM 1099 O LYS A 141 -24.140 19.677 -20.488 1.00 12.76 O ATOM 1100 CB LYS A 141 -24.438 20.434 -23.526 1.00 11.49 C ATOM 1101 CG LYS A 141 -24.182 19.230 -24.416 1.00 14.07 C ATOM 1102 CD LYS A 141 -23.153 19.452 -25.530 1.00 13.63 C ATOM 1103 CE LYS A 141 -23.034 18.190 -26.357 1.00 15.17 C ATOM 1104 NZ LYS A 141 -21.989 18.286 -27.371 1.00 17.49 N ATOM 1105 HZ1 LYS A 141 -22.204 19.074 -28.015 1.00 0.00 H ATOM 1106 HZ2 LYS A 141 -21.073 18.455 -26.908 1.00 0.00 H ATOM 1107 HZ3 LYS A 141 -21.948 17.397 -27.910 1.00 0.00 H ATOM 1108 H LYS A 141 -25.480 22.265 -22.059 1.00 0.00 H ATOM 1109 N ILE A 142 -25.142 17.925 -21.495 1.00 10.30 N ATOM 1110 CA ILE A 142 -24.451 16.876 -20.741 1.00 10.04 C ATOM 1111 C ILE A 142 -23.291 16.288 -21.541 1.00 9.59 C ATOM 1112 O ILE A 142 -22.151 16.225 -21.080 1.00 11.35 O ATOM 1113 CB ILE A 142 -25.454 15.786 -20.309 1.00 10.29 C ATOM 1114 CG1 ILE A 142 -26.520 16.376 -19.359 1.00 11.79 C ATOM 1115 CG2 ILE A 142 -24.730 14.644 -19.659 1.00 12.66 C ATOM 1116 CD1 ILE A 142 -27.723 15.430 -19.101 1.00 13.80 C ATOM 1117 H ILE A 142 -25.909 17.647 -22.140 1.00 0.00 H ATOM 1118 N ASP A 143 -23.564 15.815 -22.749 1.00 11.23 N ATOM 1119 CA ASP A 143 -22.514 15.175 -23.536 1.00 11.92 C ATOM 1120 C ASP A 143 -23.000 14.978 -24.963 1.00 10.78 C ATOM 1121 O ASP A 143 -24.209 14.999 -25.252 1.00 12.27 O ATOM 1122 CB ASP A 143 -22.119 13.802 -22.964 1.00 10.88 C ATOM 1123 CG ASP A 143 -20.728 13.343 -23.359 1.00 15.81 C ATOM 1124 OD1 ASP A 143 -19.923 14.105 -23.970 1.00 15.14 O ATOM 1125 OD2 ASP A 143 -20.389 12.192 -22.978 1.00 15.90 O ATOM 1126 H ASP A 143 -24.526 15.900 -23.136 1.00 0.00 H ATOM 1127 N THR A 144 -22.033 14.767 -25.844 1.00 10.58 N ATOM 1128 CA THR A 144 -22.278 14.077 -27.099 1.00 11.22 C ATOM 1129 C THR A 144 -22.457 12.585 -26.821 1.00 12.33 C ATOM 1130 O THR A 144 -21.633 11.974 -26.133 1.00 15.56 O ATOM 1131 CB THR A 144 -21.104 14.280 -28.038 1.00 13.70 C ATOM 1132 OG1 THR A 144 -20.867 15.677 -28.257 1.00 15.61 O ATOM 1133 CG2 THR A 144 -21.345 13.619 -29.349 1.00 14.52 C ATOM 1134 HG1 THR A 144 -20.099 15.788 -28.871 1.00 0.00 H ATOM 1135 H THR A 144 -21.073 15.104 -25.631 1.00 0.00 H ATOM 1136 N ILE A 145 -23.524 11.999 -27.354 1.00 12.18 N ATOM 1137 CA ILE A 145 -23.776 10.566 -27.259 1.00 11.13 C ATOM 1138 C ILE A 145 -23.361 9.920 -28.569 1.00 13.86 C ATOM 1139 O ILE A 145 -23.886 10.250 -29.633 1.00 13.52 O ATOM 1140 CB ILE A 145 -25.250 10.269 -26.929 1.00 10.24 C ATOM 1141 CG1 ILE A 145 -25.719 11.031 -25.659 1.00 12.23 C ATOM 1142 CG2 ILE A 145 -25.425 8.722 -26.788 1.00 13.03 C ATOM 1143 CD1 ILE A 145 -24.972 10.707 -24.375 1.00 14.80 C ATOM 1144 H ILE A 145 -24.212 12.590 -27.863 1.00 0.00 H ATOM 1145 N ALA A 146 -22.384 9.034 -28.501 1.00 12.41 N ATOM 1146 CA ALA A 146 -21.845 8.348 -29.642 1.00 13.44 C ATOM 1147 C ALA A 146 -22.003 6.848 -29.489 1.00 14.92 C ATOM 1148 O ALA A 146 -21.794 6.291 -28.401 1.00 16.78 O ATOM 1149 CB ALA A 146 -20.374 8.693 -29.777 1.00 14.79 C ATOM 1150 H ALA A 146 -21.981 8.820 -27.566 1.00 0.00 H ATOM 1151 N PRO A 147 -22.319 6.168 -30.572 1.00 13.22 N ATOM 1152 CA PRO A 147 -22.444 4.705 -30.524 1.00 13.05 C ATOM 1153 C PRO A 147 -21.117 3.975 -30.516 1.00 13.96 C ATOM 1154 O PRO A 147 -20.231 4.242 -31.330 1.00 17.40 O ATOM 1155 CB PRO A 147 -23.198 4.371 -31.820 1.00 15.24 C ATOM 1156 CG PRO A 147 -22.730 5.482 -32.765 1.00 13.63 C ATOM 1157 CD PRO A 147 -22.602 6.733 -31.904 1.00 14.58 C ATOM 1158 N ASP A 148 -21.026 2.966 -29.646 1.00 14.24 N ATOM 1159 CA ASP A 148 -19.895 2.054 -29.749 1.00 14.95 C ATOM 1160 C ASP A 148 -19.964 1.273 -31.050 1.00 15.21 C ATOM 1161 O ASP A 148 -18.925 0.893 -31.598 1.00 17.28 O ATOM 1162 CB ASP A 148 -19.872 1.073 -28.595 1.00 18.09 C ATOM 1163 CG ASP A 148 -19.343 1.671 -27.308 1.00 33.64 C ATOM 1164 OD1 ASP A 148 -18.765 2.773 -27.320 1.00 26.18 O ATOM 1165 OD2 ASP A 148 -19.453 0.970 -26.288 1.00 34.56 O ATOM 1166 H ASP A 148 -21.748 2.834 -28.910 1.00 0.00 H ATOM 1167 N GLU A 149 -21.190 1.000 -31.522 1.00 13.10 N ATOM 1168 CA GLU A 149 -21.423 0.204 -32.722 1.00 13.25 C ATOM 1169 C GLU A 149 -22.486 0.863 -33.588 1.00 13.02 C ATOM 1170 O GLU A 149 -23.637 0.982 -33.160 1.00 14.16 O ATOM 1171 CB GLU A 149 -21.904 -1.209 -32.374 1.00 17.95 C ATOM 1172 CG GLU A 149 -20.958 -2.025 -31.555 1.00 25.00 C ATOM 1173 CD GLU A 149 -21.580 -3.356 -31.181 1.00 45.28 C ATOM 1174 OE1 GLU A 149 -22.260 -3.422 -30.127 1.00 50.55 O ATOM 1175 OE2 GLU A 149 -21.434 -4.317 -31.974 1.00 44.34 O ATOM 1176 H GLU A 149 -22.013 1.374 -31.008 1.00 0.00 H ATOM 1177 N ILE A 150 -22.137 1.179 -34.833 1.00 16.63 N ATOM 1178 CA ILE A 150 -23.125 1.607 -35.814 1.00 13.55 C ATOM 1179 C ILE A 150 -23.727 0.369 -36.477 1.00 14.52 C ATOM 1180 O ILE A 150 -23.133 -0.710 -36.498 1.00 16.81 O ATOM 1181 CB ILE A 150 -22.554 2.563 -36.893 1.00 17.63 C ATOM 1182 CG1 ILE A 150 -21.360 1.914 -37.593 1.00 32.93 C ATOM 1183 CG2 ILE A 150 -22.238 3.974 -36.318 1.00 21.55 C ATOM 1184 CD1 ILE A 150 -20.703 2.813 -38.625 1.00 56.17 C ATOM 1185 H ILE A 150 -21.137 1.119 -35.111 1.00 0.00 H ATOM 1186 N THR A 151 -24.943 0.507 -36.980 1.00 11.47 N ATOM 1187 CA THR A 151 -25.631 -0.581 -37.687 1.00 11.26 C ATOM 1188 C THR A 151 -25.460 -0.364 -39.185 1.00 12.13 C ATOM 1189 O THR A 151 -25.967 0.625 -39.723 1.00 13.40 O ATOM 1190 CB THR A 151 -27.109 -0.589 -37.323 1.00 11.57 C ATOM 1191 OG1 THR A 151 -27.279 -0.876 -35.931 1.00 12.91 O ATOM 1192 CG2 THR A 151 -27.872 -1.679 -38.070 1.00 13.93 C ATOM 1193 HG1 THR A 151 -26.818 -0.184 -35.394 1.00 0.00 H ATOM 1194 H THR A 151 -25.430 1.420 -36.871 1.00 0.00 H ATOM 1195 N VAL A 152 -24.721 -1.263 -39.854 1.00 14.67 N ATOM 1196 CA VAL A 152 -24.432 -1.099 -41.276 1.00 14.10 C ATOM 1197 C VAL A 152 -25.651 -1.593 -42.051 1.00 13.34 C ATOM 1198 O VAL A 152 -26.514 -2.305 -41.518 1.00 12.41 O ATOM 1199 CB VAL A 152 -23.146 -1.831 -41.698 1.00 13.97 C ATOM 1200 CG1 VAL A 152 -22.018 -1.395 -40.852 1.00 18.03 C ATOM 1201 CG2 VAL A 152 -23.312 -3.363 -41.581 1.00 15.47 C ATOM 1202 H VAL A 152 -24.347 -2.092 -39.350 1.00 0.00 H ATOM 1203 N SER A 153 -25.700 -1.237 -43.344 1.00 13.97 N ATOM 1204 CA SER A 153 -26.902 -1.490 -44.133 1.00 14.62 C ATOM 1205 C SER A 153 -27.208 -2.982 -44.254 1.00 15.13 C ATOM 1206 O SER A 153 -28.377 -3.382 -44.231 1.00 16.12 O ATOM 1207 CB SER A 153 -26.756 -0.872 -45.529 1.00 25.05 C ATOM 1208 OG SER A 153 -26.957 0.535 -45.501 1.00 31.25 O ATOM 1209 HG SER A 153 -26.287 0.951 -44.902 1.00 0.00 H ATOM 1210 H SER A 153 -24.878 -0.779 -43.786 1.00 0.00 H ATOM 1211 N SER A 154 -26.186 -3.829 -44.402 1.00 17.48 N ATOM 1212 CA SER A 154 -26.480 -5.247 -44.565 1.00 15.74 C ATOM 1213 C SER A 154 -27.087 -5.832 -43.303 1.00 17.22 C ATOM 1214 O SER A 154 -27.990 -6.673 -43.376 1.00 17.73 O ATOM 1215 CB SER A 154 -25.232 -6.017 -44.986 1.00 21.18 C ATOM 1216 OG SER A 154 -24.188 -5.876 -44.078 1.00 26.99 O ATOM 1217 HG SER A 154 -23.945 -4.919 -44.002 1.00 0.00 H ATOM 1218 H SER A 154 -25.205 -3.485 -44.401 1.00 0.00 H ATOM 1219 N ASP A 155 -26.672 -5.337 -42.142 1.00 13.01 N ATOM 1220 CA ASP A 155 -27.282 -5.789 -40.897 1.00 12.87 C ATOM 1221 C ASP A 155 -28.706 -5.246 -40.743 1.00 14.30 C ATOM 1222 O ASP A 155 -29.616 -5.988 -40.357 1.00 15.16 O ATOM 1223 CB ASP A 155 -26.416 -5.396 -39.703 1.00 14.17 C ATOM 1224 CG ASP A 155 -25.190 -6.267 -39.533 1.00 17.56 C ATOM 1225 OD1 ASP A 155 -25.132 -7.372 -40.134 1.00 19.72 O ATOM 1226 OD2 ASP A 155 -24.331 -5.853 -38.713 1.00 17.83 O ATOM 1227 H ASP A 155 -25.912 -4.627 -42.121 1.00 0.00 H ATOM 1228 N PHE A 156 -28.929 -3.958 -41.032 1.00 11.78 N ATOM 1229 CA PHE A 156 -30.279 -3.403 -40.975 1.00 11.36 C ATOM 1230 C PHE A 156 -31.235 -4.210 -41.829 1.00 11.88 C ATOM 1231 O PHE A 156 -32.336 -4.579 -41.386 1.00 13.54 O ATOM 1232 CB PHE A 156 -30.219 -1.923 -41.402 1.00 12.22 C ATOM 1233 CG PHE A 156 -31.513 -1.184 -41.211 1.00 11.52 C ATOM 1234 CD1 PHE A 156 -32.473 -1.224 -42.183 1.00 12.21 C ATOM 1235 CD2 PHE A 156 -31.758 -0.428 -40.079 1.00 13.61 C ATOM 1236 CE1 PHE A 156 -33.678 -0.561 -42.037 1.00 15.91 C ATOM 1237 CE2 PHE A 156 -32.984 0.242 -39.945 1.00 12.89 C ATOM 1238 CZ PHE A 156 -33.905 0.175 -40.911 1.00 15.57 C ATOM 1239 H PHE A 156 -28.132 -3.346 -41.300 1.00 0.00 H ATOM 1240 N GLU A 157 -30.812 -4.504 -43.070 1.00 12.77 N ATOM 1241 CA GLU A 157 -31.622 -5.247 -44.035 1.00 13.53 C ATOM 1242 C GLU A 157 -31.891 -6.672 -43.565 1.00 13.70 C ATOM 1243 O GLU A 157 -32.924 -7.258 -43.905 1.00 15.43 O ATOM 1244 CB GLU A 157 -30.896 -5.221 -45.402 1.00 18.20 C ATOM 1245 CG GLU A 157 -31.343 -6.248 -46.468 1.00 22.80 C ATOM 1246 CD GLU A 157 -30.492 -6.247 -47.774 1.00 22.64 C ATOM 1247 OE1 GLU A 157 -29.218 -6.290 -47.760 1.00 19.87 O ATOM 1248 OE2 GLU A 157 -31.138 -6.209 -48.843 1.00 27.89 O ATOM 1249 H GLU A 157 -29.864 -4.188 -43.358 1.00 0.00 H ATOM 1250 N ALA A 158 -30.982 -7.237 -42.780 1.00 14.27 N ATOM 1251 CA ALA A 158 -31.139 -8.562 -42.188 1.00 13.92 C ATOM 1252 C ALA A 158 -31.844 -8.526 -40.836 1.00 13.96 C ATOM 1253 O ALA A 158 -31.985 -9.570 -40.195 1.00 14.79 O ATOM 1254 CB ALA A 158 -29.748 -9.210 -42.038 1.00 17.08 C ATOM 1255 H ALA A 158 -30.111 -6.707 -42.576 1.00 0.00 H ATOM 1256 N ARG A 159 -32.293 -7.353 -40.385 1.00 13.71 N ATOM 1257 CA ARG A 159 -33.001 -7.177 -39.114 1.00 13.59 C ATOM 1258 C ARG A 159 -32.110 -7.442 -37.918 1.00 15.52 C ATOM 1259 O ARG A 159 -32.570 -7.868 -36.859 1.00 19.09 O ATOM 1260 CB ARG A 159 -34.295 -7.984 -39.077 1.00 15.07 C ATOM 1261 CG ARG A 159 -35.466 -7.247 -39.724 1.00 16.26 C ATOM 1262 CD ARG A 159 -35.279 -6.881 -41.173 1.00 17.46 C ATOM 1263 NE ARG A 159 -36.518 -6.267 -41.641 1.00 16.78 N ATOM 1264 CZ ARG A 159 -36.720 -5.878 -42.889 1.00 19.82 C ATOM 1265 NH1 ARG A 159 -35.773 -6.028 -43.814 1.00 23.10 N ATOM 1266 NH2 ARG A 159 -37.882 -5.318 -43.204 1.00 22.67 N ATOM 1267 HE ARG A 159 -37.286 -6.127 -40.954 1.00 0.00 H ATOM 1268 HH12 ARG A 159 -35.947 -5.717 -44.791 1.00 0.00 H ATOM 1269 HH11 ARG A 159 -34.860 -6.456 -43.559 1.00 0.00 H ATOM 1270 HH22 ARG A 159 -38.061 -5.005 -44.180 1.00 0.00 H ATOM 1271 HH21 ARG A 159 -38.613 -5.192 -42.475 1.00 0.00 H ATOM 1272 H ARG A 159 -32.130 -6.511 -40.973 1.00 0.00 H ATOM 1273 N HIS A 160 -30.817 -7.169 -38.101 1.00 13.76 N ATOM 1274 CA HIS A 160 -29.835 -7.250 -37.041 1.00 13.09 C ATOM 1275 C HIS A 160 -29.354 -5.840 -36.720 1.00 15.77 C ATOM 1276 O HIS A 160 -28.569 -5.254 -37.462 1.00 22.64 O ATOM 1277 CB HIS A 160 -28.665 -8.096 -37.486 1.00 15.15 C ATOM 1278 CG HIS A 160 -27.695 -8.372 -36.402 1.00 16.08 C ATOM 1279 ND1 HIS A 160 -27.903 -9.368 -35.485 1.00 17.92 N ATOM 1280 CD2 HIS A 160 -26.566 -7.727 -36.017 1.00 21.24 C ATOM 1281 CE1 HIS A 160 -26.895 -9.394 -34.630 1.00 24.71 C ATOM 1282 NE2 HIS A 160 -26.078 -8.400 -34.926 1.00 20.64 N ATOM 1283 H HIS A 160 -30.500 -6.885 -39.050 1.00 0.00 H ATOM 1284 N VAL A 161 -29.803 -5.298 -35.614 1.00 13.03 N ATOM 1285 CA VAL A 161 -29.369 -3.965 -35.230 1.00 12.99 C ATOM 1286 C VAL A 161 -28.393 -4.114 -34.074 1.00 15.20 C ATOM 1287 O VAL A 161 -28.394 -5.107 -33.332 1.00 18.16 O ATOM 1288 CB VAL A 161 -30.518 -3.028 -34.821 1.00 17.47 C ATOM 1289 CG1 VAL A 161 -31.514 -2.901 -35.931 1.00 24.73 C ATOM 1290 CG2 VAL A 161 -31.173 -3.493 -33.552 1.00 18.08 C ATOM 1291 H VAL A 161 -30.470 -5.822 -35.011 1.00 0.00 H ATOM 1292 N LYS A 162 -27.542 -3.109 -33.929 1.00 14.07 N ATOM 1293 CA LYS A 162 -26.611 -3.054 -32.814 1.00 13.00 C ATOM 1294 C LYS A 162 -27.132 -2.054 -31.783 1.00 11.31 C ATOM 1295 O LYS A 162 -27.110 -0.826 -31.994 1.00 13.61 O ATOM 1296 CB LYS A 162 -25.214 -2.707 -33.307 1.00 13.50 C ATOM 1297 CG LYS A 162 -24.648 -3.602 -34.395 1.00 17.41 C ATOM 1298 CD LYS A 162 -24.386 -4.930 -33.939 1.00 24.87 C ATOM 1299 CE LYS A 162 -23.563 -5.653 -34.986 1.00 54.47 C ATOM 1300 NZ LYS A 162 -23.342 -7.067 -34.571 1.00 83.22 N ATOM 1301 HZ1 LYS A 162 -22.835 -7.085 -33.663 1.00 0.00 H ATOM 1302 HZ2 LYS A 162 -24.260 -7.544 -34.467 1.00 0.00 H ATOM 1303 HZ3 LYS A 162 -22.777 -7.555 -35.295 1.00 0.00 H ATOM 1304 H LYS A 162 -27.540 -2.341 -34.630 1.00 0.00 H ATOM 1305 N LEU A 163 -27.571 -2.578 -30.644 1.00 12.05 N ATOM 1306 CA LEU A 163 -28.127 -1.749 -29.580 1.00 12.43 C ATOM 1307 C LEU A 163 -26.993 -1.280 -28.685 1.00 14.41 C ATOM 1308 O LEU A 163 -26.271 -2.090 -28.108 1.00 16.32 O ATOM 1309 CB LEU A 163 -29.174 -2.508 -28.775 1.00 14.42 C ATOM 1310 CG LEU A 163 -29.994 -1.621 -27.841 1.00 15.55 C ATOM 1311 CD1 LEU A 163 -30.849 -0.603 -28.559 1.00 16.65 C ATOM 1312 CD2 LEU A 163 -30.869 -2.522 -27.026 1.00 17.48 C ATOM 1313 H LEU A 163 -27.517 -3.608 -30.507 1.00 0.00 H ATOM 1314 N ASN A 164 -26.833 0.028 -28.594 1.00 10.77 N ATOM 1315 CA ASN A 164 -25.818 0.649 -27.766 1.00 11.11 C ATOM 1316 C ASN A 164 -26.431 1.022 -26.430 1.00 11.82 C ATOM 1317 O ASN A 164 -27.614 1.347 -26.343 1.00 11.66 O ATOM 1318 CB ASN A 164 -25.300 1.910 -28.443 1.00 10.49 C ATOM 1319 CG ASN A 164 -24.621 1.599 -29.719 1.00 12.23 C ATOM 1320 OD1 ASN A 164 -23.473 1.134 -29.715 1.00 12.97 O ATOM 1321 ND2 ASN A 164 -25.301 1.843 -30.846 1.00 13.25 N ATOM 1322 HD22 ASN A 164 -26.263 2.234 -30.798 1.00 0.00 H ATOM 1323 HD21 ASN A 164 -24.867 1.641 -31.769 1.00 0.00 H ATOM 1324 H ASN A 164 -27.467 0.643 -29.144 1.00 0.00 H ATOM 1325 N VAL A 165 -25.597 1.027 -25.399 1.00 12.03 N ATOM 1326 CA VAL A 165 -25.963 1.468 -24.055 1.00 11.97 C ATOM 1327 C VAL A 165 -24.970 2.532 -23.618 1.00 11.81 C ATOM 1328 O VAL A 165 -23.760 2.300 -23.688 1.00 15.09 O ATOM 1329 CB VAL A 165 -25.943 0.292 -23.068 1.00 14.45 C ATOM 1330 CG1 VAL A 165 -26.459 0.732 -21.704 1.00 16.15 C ATOM 1331 CG2 VAL A 165 -26.741 -0.866 -23.649 1.00 18.66 C ATOM 1332 H VAL A 165 -24.623 0.697 -25.557 1.00 0.00 H ATOM 1333 N GLU A 166 -25.476 3.697 -23.184 1.00 12.52 N ATOM 1334 CA GLU A 166 -24.640 4.746 -22.619 1.00 11.76 C ATOM 1335 C GLU A 166 -25.229 5.270 -21.327 1.00 12.60 C ATOM 1336 O GLU A 166 -26.441 5.448 -21.224 1.00 13.93 O ATOM 1337 CB GLU A 166 -24.467 5.901 -23.618 1.00 11.66 C ATOM 1338 CG GLU A 166 -23.613 5.557 -24.798 1.00 12.67 C ATOM 1339 CD GLU A 166 -22.151 5.383 -24.477 1.00 14.18 C ATOM 1340 OE1 GLU A 166 -21.680 5.876 -23.409 1.00 13.71 O ATOM 1341 OE2 GLU A 166 -21.429 4.767 -25.312 1.00 17.02 O ATOM 1342 H GLU A 166 -26.501 3.856 -23.254 1.00 0.00 H ATOM 1343 N GLU A 167 -24.376 5.519 -20.341 1.00 11.79 N ATOM 1344 CA GLU A 167 -24.812 6.076 -19.074 1.00 12.59 C ATOM 1345 C GLU A 167 -24.072 7.371 -18.778 1.00 12.37 C ATOM 1346 O GLU A 167 -22.863 7.475 -19.035 1.00 12.46 O ATOM 1347 CB GLU A 167 -24.566 5.058 -17.952 1.00 19.39 C ATOM 1348 CG GLU A 167 -25.345 5.383 -16.692 1.00 35.95 C ATOM 1349 CD GLU A 167 -25.530 4.195 -15.728 1.00 43.93 C ATOM 1350 OE1 GLU A 167 -25.120 3.034 -16.038 1.00 42.99 O ATOM 1351 OE2 GLU A 167 -26.111 4.457 -14.654 1.00 37.37 O ATOM 1352 H GLU A 167 -23.367 5.309 -20.480 1.00 0.00 H ATOM 1353 N ARG A 168 -24.811 8.343 -18.248 1.00 11.80 N ATOM 1354 CA ARG A 168 -24.268 9.593 -17.756 1.00 11.65 C ATOM 1355 C ARG A 168 -24.934 9.925 -16.433 1.00 14.41 C ATOM 1356 O ARG A 168 -25.890 9.291 -16.024 1.00 17.40 O ATOM 1357 CB ARG A 168 -24.486 10.762 -18.738 1.00 13.50 C ATOM 1358 CG ARG A 168 -23.941 10.547 -20.143 1.00 11.50 C ATOM 1359 CD ARG A 168 -22.400 10.483 -20.187 1.00 12.72 C ATOM 1360 NE ARG A 168 -21.897 10.398 -21.559 1.00 12.40 N ATOM 1361 CZ ARG A 168 -21.827 9.272 -22.258 1.00 13.24 C ATOM 1362 NH1 ARG A 168 -22.154 8.092 -21.711 1.00 14.22 N ATOM 1363 NH2 ARG A 168 -21.458 9.336 -23.522 1.00 15.19 N ATOM 1364 HE ARG A 168 -21.574 11.275 -22.015 1.00 0.00 H ATOM 1365 HH12 ARG A 168 -22.092 7.222 -22.277 1.00 0.00 H ATOM 1366 HH11 ARG A 168 -22.470 8.047 -20.721 1.00 0.00 H ATOM 1367 HH22 ARG A 168 -21.396 8.467 -24.090 1.00 0.00 H ATOM 1368 HH21 ARG A 168 -21.229 10.255 -23.951 1.00 0.00 H ATOM 1369 H ARG A 168 -25.839 8.197 -18.183 1.00 0.00 H ATOM 1370 N SER A 169 -24.414 10.905 -15.727 1.00 15.10 N ATOM 1371 CA SER A 169 -25.077 11.348 -14.513 1.00 14.85 C ATOM 1372 C SER A 169 -24.928 12.852 -14.407 1.00 18.46 C ATOM 1373 O SER A 169 -23.994 13.436 -14.976 1.00 18.31 O ATOM 1374 CB SER A 169 -24.521 10.664 -13.280 1.00 17.35 C ATOM 1375 OG SER A 169 -23.180 11.052 -13.017 1.00 19.60 O ATOM 1376 HG SER A 169 -22.855 10.585 -12.207 1.00 0.00 H ATOM 1377 H SER A 169 -23.532 11.361 -16.037 1.00 0.00 H ATOM 1378 N VAL A 170 -25.851 13.481 -13.694 1.00 14.29 N ATOM 1379 CA VAL A 170 -25.762 14.914 -13.483 1.00 13.89 C ATOM 1380 C VAL A 170 -26.166 15.230 -12.058 1.00 12.50 C ATOM 1381 O VAL A 170 -26.964 14.518 -11.438 1.00 14.20 O ATOM 1382 CB VAL A 170 -26.620 15.758 -14.460 1.00 18.37 C ATOM 1383 CG1 VAL A 170 -26.124 15.575 -15.899 1.00 23.36 C ATOM 1384 CG2 VAL A 170 -28.082 15.435 -14.365 1.00 14.92 C ATOM 1385 H VAL A 170 -26.643 12.945 -13.284 1.00 0.00 H ATOM 1386 N GLY A 171 -25.639 16.347 -11.574 1.00 12.78 N ATOM 1387 CA GLY A 171 -25.980 16.906 -10.299 1.00 13.09 C ATOM 1388 C GLY A 171 -24.857 17.811 -9.839 1.00 13.96 C ATOM 1389 O GLY A 171 -23.853 17.969 -10.525 1.00 14.51 O ATOM 1390 H GLY A 171 -24.936 16.847 -12.155 1.00 0.00 H ATOM 1391 N PRO A 172 -25.000 18.430 -8.676 1.00 14.38 N ATOM 1392 CA PRO A 172 -26.170 18.307 -7.815 1.00 14.07 C ATOM 1393 C PRO A 172 -27.400 19.032 -8.314 1.00 18.24 C ATOM 1394 O PRO A 172 -27.310 20.132 -8.880 1.00 19.05 O ATOM 1395 CB PRO A 172 -25.718 18.939 -6.512 1.00 18.44 C ATOM 1396 CG PRO A 172 -24.610 19.838 -6.898 1.00 27.23 C ATOM 1397 CD PRO A 172 -23.957 19.303 -8.112 1.00 15.69 C ATOM 1398 N LEU A 173 -28.543 18.394 -8.104 1.00 16.80 N ATOM 1399 CA LEU A 173 -29.845 18.939 -8.477 1.00 15.41 C ATOM 1400 C LEU A 173 -30.598 19.430 -7.254 1.00 20.32 C ATOM 1401 O LEU A 173 -30.551 18.786 -6.206 1.00 20.01 O ATOM 1402 CB LEU A 173 -30.694 17.871 -9.161 1.00 19.02 C ATOM 1403 CG LEU A 173 -30.089 17.291 -10.450 1.00 19.19 C ATOM 1404 CD1 LEU A 173 -31.075 16.307 -11.070 1.00 31.91 C ATOM 1405 CD2 LEU A 173 -29.750 18.333 -11.454 1.00 22.27 C ATOM 1406 H LEU A 173 -28.511 17.458 -7.651 1.00 0.00 H ATOM 1407 N THR A 174 -31.393 20.505 -7.413 1.00 17.92 N ATOM 1408 CA THR A 174 -32.133 21.021 -6.262 1.00 18.72 C ATOM 1409 C THR A 174 -33.579 21.414 -6.532 1.00 20.87 C ATOM 1410 O THR A 174 -34.320 21.625 -5.562 1.00 25.46 O ATOM 1411 CB THR A 174 -31.457 22.258 -5.667 1.00 23.64 C ATOM 1412 OG1 THR A 174 -31.470 23.302 -6.644 1.00 25.27 O ATOM 1413 CG2 THR A 174 -30.011 21.978 -5.253 1.00 26.85 C ATOM 1414 HG1 THR A 174 -30.978 23.004 -7.450 1.00 0.00 H ATOM 1415 H THR A 174 -31.480 20.963 -8.343 1.00 0.00 H ATOM 1416 N ARG A 175 -34.014 21.513 -7.783 1.00 16.36 N ATOM 1417 CA ARG A 175 -35.353 21.975 -8.077 1.00 13.73 C ATOM 1418 C ARG A 175 -36.302 20.784 -8.009 1.00 13.41 C ATOM 1419 O ARG A 175 -35.865 19.631 -7.928 1.00 15.90 O ATOM 1420 CB ARG A 175 -35.393 22.662 -9.443 1.00 14.87 C ATOM 1421 CG ARG A 175 -34.459 23.867 -9.635 1.00 16.93 C ATOM 1422 CD ARG A 175 -34.984 25.112 -8.891 1.00 35.28 C ATOM 1423 NE ARG A 175 -34.329 26.358 -9.317 1.00 44.38 N ATOM 1424 CZ ARG A 175 -33.469 27.077 -8.591 1.00 48.16 C ATOM 1425 NH1 ARG A 175 -33.139 26.709 -7.369 1.00 47.73 N ATOM 1426 NH2 ARG A 175 -32.952 28.192 -9.086 1.00 49.62 N ATOM 1427 HE ARG A 175 -34.556 26.711 -10.269 1.00 0.00 H ATOM 1428 HH12 ARG A 175 -32.468 27.280 -6.817 1.00 0.00 H ATOM 1429 HH11 ARG A 175 -33.550 25.847 -6.957 1.00 0.00 H ATOM 1430 HH22 ARG A 175 -32.282 28.751 -8.520 1.00 0.00 H ATOM 1431 HH21 ARG A 175 -33.216 28.508 -10.041 1.00 0.00 H ATOM 1432 H ARG A 175 -33.380 21.254 -8.566 1.00 0.00 H ATOM 1433 N LYS A 176 -37.609 21.056 -8.081 1.00 13.88 N ATOM 1434 CA LYS A 176 -38.591 20.006 -7.814 1.00 14.11 C ATOM 1435 C LYS A 176 -38.505 18.903 -8.850 1.00 13.94 C ATOM 1436 O LYS A 176 -38.690 17.720 -8.524 1.00 14.03 O ATOM 1437 CB LYS A 176 -40.018 20.564 -7.787 1.00 14.94 C ATOM 1438 CG LYS A 176 -41.020 19.503 -7.275 1.00 15.51 C ATOM 1439 CD LYS A 176 -42.449 19.988 -7.149 1.00 16.59 C ATOM 1440 CE LYS A 176 -43.395 18.876 -6.626 1.00 18.12 C ATOM 1441 NZ LYS A 176 -44.742 19.326 -6.263 1.00 19.57 N ATOM 1442 HZ1 LYS A 176 -44.676 20.040 -5.510 1.00 0.00 H ATOM 1443 HZ2 LYS A 176 -45.204 19.742 -7.097 1.00 0.00 H ATOM 1444 HZ3 LYS A 176 -45.298 18.514 -5.926 1.00 0.00 H ATOM 1445 H LYS A 176 -37.927 22.015 -8.327 1.00 0.00 H ATOM 1446 N GLY A 177 -38.203 19.268 -10.097 1.00 13.87 N ATOM 1447 CA GLY A 177 -38.116 18.325 -11.185 1.00 12.91 C ATOM 1448 C GLY A 177 -37.124 18.765 -12.232 1.00 12.52 C ATOM 1449 O GLY A 177 -36.356 19.700 -12.013 1.00 13.04 O ATOM 1450 H GLY A 177 -38.023 20.273 -10.293 1.00 0.00 H ATOM 1451 N PHE A 178 -37.073 18.018 -13.324 1.00 11.74 N ATOM 1452 CA PHE A 178 -36.115 18.288 -14.379 1.00 11.38 C ATOM 1453 C PHE A 178 -36.644 17.721 -15.681 1.00 10.73 C ATOM 1454 O PHE A 178 -37.585 16.920 -15.722 1.00 10.55 O ATOM 1455 CB PHE A 178 -34.708 17.705 -14.057 1.00 11.71 C ATOM 1456 CG PHE A 178 -34.703 16.210 -13.914 1.00 13.08 C ATOM 1457 CD1 PHE A 178 -34.937 15.616 -12.689 1.00 11.36 C ATOM 1458 CD2 PHE A 178 -34.520 15.396 -15.002 1.00 12.82 C ATOM 1459 CE1 PHE A 178 -35.007 14.236 -12.585 1.00 15.37 C ATOM 1460 CE2 PHE A 178 -34.576 14.053 -14.892 1.00 16.15 C ATOM 1461 CZ PHE A 178 -34.810 13.469 -13.679 1.00 16.39 C ATOM 1462 H PHE A 178 -37.733 17.221 -13.427 1.00 0.00 H ATOM 1463 N TYR A 179 -35.990 18.146 -16.754 1.00 10.53 N ATOM 1464 CA TYR A 179 -36.213 17.618 -18.083 1.00 10.17 C ATOM 1465 C TYR A 179 -34.917 17.083 -18.663 1.00 9.61 C ATOM 1466 O TYR A 179 -33.846 17.634 -18.405 1.00 10.69 O ATOM 1467 CB TYR A 179 -36.708 18.724 -19.042 1.00 10.33 C ATOM 1468 CG TYR A 179 -38.022 19.334 -18.753 1.00 10.90 C ATOM 1469 CD1 TYR A 179 -39.142 18.778 -19.317 1.00 12.30 C ATOM 1470 CD2 TYR A 179 -38.186 20.466 -17.939 1.00 13.07 C ATOM 1471 CE1 TYR A 179 -40.353 19.270 -19.109 1.00 13.14 C ATOM 1472 CE2 TYR A 179 -39.452 20.950 -17.719 1.00 14.75 C ATOM 1473 CZ TYR A 179 -40.523 20.358 -18.336 1.00 12.27 C ATOM 1474 OH TYR A 179 -41.831 20.838 -18.153 1.00 16.86 O ATOM 1475 HH TYR A 179 -42.461 20.283 -18.677 1.00 0.00 H ATOM 1476 H TYR A 179 -35.281 18.897 -16.634 1.00 0.00 H ATOM 1477 N LEU A 180 -35.016 16.048 -19.512 1.00 10.60 N ATOM 1478 CA LEU A 180 -33.934 15.695 -20.428 1.00 10.20 C ATOM 1479 C LEU A 180 -34.344 16.075 -21.836 1.00 9.95 C ATOM 1480 O LEU A 180 -35.525 16.090 -22.166 1.00 9.98 O ATOM 1481 CB LEU A 180 -33.595 14.194 -20.398 1.00 9.92 C ATOM 1482 CG LEU A 180 -33.238 13.645 -19.015 1.00 11.17 C ATOM 1483 CD1 LEU A 180 -32.942 12.136 -19.194 1.00 15.09 C ATOM 1484 CD2 LEU A 180 -32.096 14.333 -18.334 1.00 12.74 C ATOM 1485 H LEU A 180 -35.888 15.481 -19.518 1.00 0.00 H ATOM 1486 N ALA A 181 -33.368 16.401 -22.657 1.00 9.76 N ATOM 1487 CA ALA A 181 -33.663 16.657 -24.055 1.00 9.33 C ATOM 1488 C ALA A 181 -32.567 16.057 -24.916 1.00 9.33 C ATOM 1489 O ALA A 181 -31.403 15.925 -24.523 1.00 10.03 O ATOM 1490 CB ALA A 181 -33.833 18.175 -24.322 1.00 11.24 C ATOM 1491 H ALA A 181 -32.392 16.475 -22.306 1.00 0.00 H ATOM 1492 N PHE A 182 -32.963 15.715 -26.139 1.00 9.47 N ATOM 1493 CA PHE A 182 -32.097 15.048 -27.094 1.00 9.00 C ATOM 1494 C PHE A 182 -32.108 15.882 -28.361 1.00 9.64 C ATOM 1495 O PHE A 182 -33.178 16.133 -28.919 1.00 11.31 O ATOM 1496 CB PHE A 182 -32.596 13.609 -27.350 1.00 10.46 C ATOM 1497 CG PHE A 182 -32.857 12.837 -26.083 1.00 9.88 C ATOM 1498 CD1 PHE A 182 -34.086 12.911 -25.480 1.00 11.81 C ATOM 1499 CD2 PHE A 182 -31.864 12.084 -25.515 1.00 14.59 C ATOM 1500 CE1 PHE A 182 -34.340 12.229 -24.291 1.00 15.79 C ATOM 1501 CE2 PHE A 182 -32.131 11.391 -24.346 1.00 14.51 C ATOM 1502 CZ PHE A 182 -33.320 11.488 -23.734 1.00 16.86 C ATOM 1503 H PHE A 182 -33.938 15.936 -26.424 1.00 0.00 H ATOM 1504 N GLN A 183 -30.935 16.311 -28.800 1.00 9.22 N ATOM 1505 CA GLN A 183 -30.803 17.122 -30.003 1.00 11.10 C ATOM 1506 C GLN A 183 -30.186 16.286 -31.096 1.00 12.14 C ATOM 1507 O GLN A 183 -29.055 15.790 -30.951 1.00 10.77 O ATOM 1508 CB GLN A 183 -29.938 18.358 -29.733 1.00 11.26 C ATOM 1509 CG GLN A 183 -29.677 19.243 -30.938 1.00 11.09 C ATOM 1510 CD GLN A 183 -28.526 20.212 -30.702 1.00 14.32 C ATOM 1511 OE1 GLN A 183 -27.593 19.912 -29.958 1.00 14.81 O ATOM 1512 NE2 GLN A 183 -28.596 21.400 -31.307 1.00 15.15 N ATOM 1513 HE22 GLN A 183 -29.399 21.620 -31.930 1.00 0.00 H ATOM 1514 HE21 GLN A 183 -27.847 22.106 -31.156 1.00 0.00 H ATOM 1515 H GLN A 183 -30.078 16.060 -28.267 1.00 0.00 H ATOM 1516 N ASP A 184 -30.894 16.225 -32.210 1.00 12.42 N ATOM 1517 CA ASP A 184 -30.404 15.614 -33.425 1.00 12.28 C ATOM 1518 C ASP A 184 -29.959 16.682 -34.402 1.00 12.11 C ATOM 1519 O ASP A 184 -30.693 17.655 -34.643 1.00 12.24 O ATOM 1520 CB ASP A 184 -31.508 14.785 -34.064 1.00 11.20 C ATOM 1521 CG ASP A 184 -31.194 14.434 -35.508 1.00 13.91 C ATOM 1522 OD1 ASP A 184 -30.201 13.732 -35.750 1.00 15.40 O ATOM 1523 OD2 ASP A 184 -31.916 14.926 -36.378 1.00 15.20 O ATOM 1524 H ASP A 184 -31.849 16.636 -32.213 1.00 0.00 H ATOM 1525 N ILE A 185 -28.768 16.487 -34.956 1.00 12.45 N ATOM 1526 CA ILE A 185 -28.183 17.380 -35.949 1.00 13.41 C ATOM 1527 C ILE A 185 -28.045 16.730 -37.324 1.00 13.80 C ATOM 1528 O ILE A 185 -27.300 17.249 -38.162 1.00 18.08 O ATOM 1529 CB ILE A 185 -26.825 17.895 -35.431 1.00 20.10 C ATOM 1530 CG1 ILE A 185 -25.958 16.673 -35.071 1.00 21.21 C ATOM 1531 CG2 ILE A 185 -27.106 18.881 -34.279 1.00 26.11 C ATOM 1532 CD1 ILE A 185 -24.481 16.924 -34.976 1.00 39.69 C ATOM 1533 H ILE A 185 -28.222 15.651 -34.665 1.00 0.00 H ATOM 1534 N GLY A 186 -28.757 15.629 -37.593 1.00 13.40 N ATOM 1535 CA GLY A 186 -28.697 14.969 -38.891 1.00 12.55 C ATOM 1536 C GLY A 186 -28.229 13.533 -38.889 1.00 13.87 C ATOM 1537 O GLY A 186 -27.625 13.055 -39.863 1.00 15.50 O ATOM 1538 H GLY A 186 -29.372 15.233 -36.854 1.00 0.00 H ATOM 1539 N ALA A 187 -28.536 12.830 -37.801 1.00 11.30 N ATOM 1540 CA ALA A 187 -28.158 11.427 -37.678 1.00 11.97 C ATOM 1541 C ALA A 187 -29.397 10.567 -37.861 1.00 13.94 C ATOM 1542 O ALA A 187 -30.527 11.061 -37.956 1.00 16.20 O ATOM 1543 CB ALA A 187 -27.512 11.132 -36.320 1.00 14.21 C ATOM 1544 H ALA A 187 -29.054 13.289 -37.025 1.00 0.00 H ATOM 1545 N CYS A 188 -29.194 9.251 -37.901 1.00 11.94 N ATOM 1546 CA CYS A 188 -30.313 8.309 -38.069 1.00 11.37 C ATOM 1547 C CYS A 188 -30.381 7.438 -36.810 1.00 13.40 C ATOM 1548 O CYS A 188 -29.749 6.380 -36.743 1.00 11.97 O ATOM 1549 CB CYS A 188 -30.126 7.474 -39.307 1.00 12.17 C ATOM 1550 SG CYS A 188 -31.596 6.549 -39.794 1.00 13.71 S ATOM 1551 H CYS A 188 -28.226 8.882 -37.812 1.00 0.00 H ATOM 1552 N VAL A 189 -31.158 7.893 -35.824 1.00 11.62 N ATOM 1553 CA VAL A 189 -31.103 7.396 -34.459 1.00 10.17 C ATOM 1554 C VAL A 189 -32.464 6.852 -34.062 1.00 10.87 C ATOM 1555 O VAL A 189 -33.492 7.470 -34.350 1.00 10.69 O ATOM 1556 CB VAL A 189 -30.724 8.531 -33.500 1.00 11.31 C ATOM 1557 CG1 VAL A 189 -30.712 8.032 -32.050 1.00 11.79 C ATOM 1558 CG2 VAL A 189 -29.428 9.153 -33.827 1.00 15.82 C ATOM 1559 H VAL A 189 -31.841 8.645 -36.045 1.00 0.00 H ATOM 1560 N ALA A 190 -32.478 5.695 -33.399 1.00 10.91 N ATOM 1561 CA ALA A 190 -33.677 5.189 -32.738 1.00 10.57 C ATOM 1562 C ALA A 190 -33.338 5.069 -31.260 1.00 10.17 C ATOM 1563 O ALA A 190 -32.381 4.376 -30.906 1.00 12.28 O ATOM 1564 CB ALA A 190 -34.127 3.839 -33.282 1.00 11.48 C ATOM 1565 H ALA A 190 -31.604 5.133 -33.351 1.00 0.00 H ATOM 1566 N LEU A 191 -34.091 5.774 -30.427 1.00 9.91 N ATOM 1567 CA LEU A 191 -33.908 5.821 -28.978 1.00 10.28 C ATOM 1568 C LEU A 191 -34.946 4.879 -28.383 1.00 11.16 C ATOM 1569 O LEU A 191 -36.145 5.163 -28.430 1.00 10.77 O ATOM 1570 CB LEU A 191 -34.083 7.268 -28.533 1.00 9.73 C ATOM 1571 CG LEU A 191 -33.901 7.549 -27.049 1.00 11.93 C ATOM 1572 CD1 LEU A 191 -32.511 7.196 -26.588 1.00 14.42 C ATOM 1573 CD2 LEU A 191 -34.195 9.065 -26.784 1.00 13.29 C ATOM 1574 H LEU A 191 -34.867 6.334 -30.834 1.00 0.00 H ATOM 1575 N LEU A 192 -34.508 3.733 -27.842 1.00 10.46 N ATOM 1576 CA LEU A 192 -35.414 2.689 -27.360 1.00 11.23 C ATOM 1577 C LEU A 192 -35.600 2.684 -25.850 1.00 11.19 C ATOM 1578 O LEU A 192 -36.552 2.091 -25.353 1.00 13.20 O ATOM 1579 CB LEU A 192 -34.924 1.283 -27.774 1.00 12.71 C ATOM 1580 CG LEU A 192 -35.358 0.813 -29.168 1.00 15.97 C ATOM 1581 CD1 LEU A 192 -34.598 1.572 -30.200 1.00 17.04 C ATOM 1582 CD2 LEU A 192 -35.110 -0.667 -29.422 1.00 21.17 C ATOM 1583 H LEU A 192 -33.483 3.579 -27.761 1.00 0.00 H ATOM 1584 N SER A 193 -34.681 3.299 -25.132 1.00 10.62 N ATOM 1585 CA SER A 193 -34.744 3.228 -23.686 1.00 11.98 C ATOM 1586 C SER A 193 -34.136 4.492 -23.104 1.00 10.82 C ATOM 1587 O SER A 193 -33.080 4.938 -23.548 1.00 10.70 O ATOM 1588 CB SER A 193 -34.026 1.968 -23.196 1.00 12.53 C ATOM 1589 OG SER A 193 -34.263 1.722 -21.790 1.00 13.45 O ATOM 1590 HG SER A 193 -33.934 2.492 -21.261 1.00 0.00 H ATOM 1591 H SER A 193 -33.918 3.830 -25.599 1.00 0.00 H ATOM 1592 N VAL A 194 -34.840 5.064 -22.120 1.00 11.49 N ATOM 1593 CA VAL A 194 -34.399 6.227 -21.349 1.00 11.15 C ATOM 1594 C VAL A 194 -34.793 5.916 -19.913 1.00 10.60 C ATOM 1595 O VAL A 194 -35.974 5.997 -19.572 1.00 11.80 O ATOM 1596 CB VAL A 194 -35.042 7.543 -21.777 1.00 12.05 C ATOM 1597 CG1 VAL A 194 -34.495 8.703 -20.970 1.00 13.80 C ATOM 1598 CG2 VAL A 194 -34.787 7.785 -23.248 1.00 13.51 C ATOM 1599 H VAL A 194 -35.766 4.653 -21.887 1.00 0.00 H ATOM 1600 N ARG A 195 -33.826 5.546 -19.070 1.00 10.20 N ATOM 1601 CA ARG A 195 -34.084 5.128 -17.690 1.00 10.81 C ATOM 1602 C ARG A 195 -33.261 6.005 -16.761 1.00 11.84 C ATOM 1603 O ARG A 195 -32.032 6.053 -16.881 1.00 13.34 O ATOM 1604 CB ARG A 195 -33.767 3.649 -17.473 1.00 12.37 C ATOM 1605 CG ARG A 195 -34.209 3.110 -16.117 1.00 17.00 C ATOM 1606 CD ARG A 195 -34.039 1.601 -16.047 1.00 18.41 C ATOM 1607 NE ARG A 195 -32.627 1.284 -15.891 1.00 21.98 N ATOM 1608 CZ ARG A 195 -32.015 1.121 -14.724 1.00 28.75 C ATOM 1609 NH1 ARG A 195 -32.692 1.232 -13.591 1.00 27.59 N ATOM 1610 NH2 ARG A 195 -30.717 0.858 -14.696 1.00 34.85 N ATOM 1611 HE ARG A 195 -32.057 1.178 -16.755 1.00 0.00 H ATOM 1612 HH12 ARG A 195 -32.206 1.103 -12.680 1.00 0.00 H ATOM 1613 HH11 ARG A 195 -33.709 1.448 -13.612 1.00 0.00 H ATOM 1614 HH22 ARG A 195 -30.232 0.729 -13.785 1.00 0.00 H ATOM 1615 HH21 ARG A 195 -30.183 0.780 -15.585 1.00 0.00 H ATOM 1616 H ARG A 195 -32.843 5.555 -19.409 1.00 0.00 H ATOM 1617 N VAL A 196 -33.943 6.725 -15.866 1.00 11.59 N ATOM 1618 CA VAL A 196 -33.312 7.675 -14.957 1.00 12.09 C ATOM 1619 C VAL A 196 -33.560 7.187 -13.547 1.00 11.66 C ATOM 1620 O VAL A 196 -34.713 6.916 -13.192 1.00 12.12 O ATOM 1621 CB VAL A 196 -33.865 9.089 -15.121 1.00 12.53 C ATOM 1622 CG1 VAL A 196 -33.145 10.062 -14.178 1.00 14.14 C ATOM 1623 CG2 VAL A 196 -33.721 9.520 -16.576 1.00 13.89 C ATOM 1624 H VAL A 196 -34.974 6.602 -15.815 1.00 0.00 H ATOM 1625 N TYR A 197 -32.499 7.066 -12.752 1.00 12.30 N ATOM 1626 CA TYR A 197 -32.642 6.529 -11.406 1.00 13.26 C ATOM 1627 C TYR A 197 -31.699 7.261 -10.459 1.00 13.82 C ATOM 1628 O TYR A 197 -30.826 8.006 -10.887 1.00 13.58 O ATOM 1629 CB TYR A 197 -32.379 5.012 -11.373 1.00 16.31 C ATOM 1630 CG TYR A 197 -30.960 4.627 -11.710 1.00 16.92 C ATOM 1631 CD1 TYR A 197 -30.577 4.432 -12.999 1.00 18.03 C ATOM 1632 CD2 TYR A 197 -30.023 4.512 -10.732 1.00 20.56 C ATOM 1633 CE1 TYR A 197 -29.282 4.072 -13.291 1.00 18.77 C ATOM 1634 CE2 TYR A 197 -28.720 4.176 -11.021 1.00 24.66 C ATOM 1635 CZ TYR A 197 -28.369 3.960 -12.299 1.00 21.70 C ATOM 1636 OH TYR A 197 -27.064 3.605 -12.594 1.00 25.68 O ATOM 1637 HH TYR A 197 -26.969 3.483 -13.572 1.00 0.00 H ATOM 1638 H TYR A 197 -31.561 7.357 -13.095 1.00 0.00 H ATOM 1639 N TYR A 198 -31.927 7.097 -9.162 1.00 14.70 N ATOM 1640 CA TYR A 198 -30.981 7.561 -8.156 1.00 15.60 C ATOM 1641 C TYR A 198 -30.764 6.462 -7.142 1.00 17.74 C ATOM 1642 O TYR A 198 -31.479 5.450 -7.119 1.00 17.61 O ATOM 1643 CB TYR A 198 -31.407 8.860 -7.471 1.00 17.39 C ATOM 1644 CG TYR A 198 -32.603 8.867 -6.584 1.00 15.84 C ATOM 1645 CD1 TYR A 198 -33.877 8.865 -7.065 1.00 16.73 C ATOM 1646 CD2 TYR A 198 -32.445 9.079 -5.239 1.00 18.70 C ATOM 1647 CE1 TYR A 198 -34.960 8.956 -6.237 1.00 20.33 C ATOM 1648 CE2 TYR A 198 -33.548 9.193 -4.373 1.00 23.71 C ATOM 1649 CZ TYR A 198 -34.795 9.128 -4.889 1.00 25.66 C ATOM 1650 OH TYR A 198 -35.871 9.242 -4.053 1.00 28.66 O ATOM 1651 HH TYR A 198 -36.706 9.174 -4.581 1.00 0.00 H ATOM 1652 H TYR A 198 -32.802 6.626 -8.856 1.00 0.00 H ATOM 1653 N LYS A 199 -29.691 6.654 -6.375 1.00 19.75 N ATOM 1654 CA LYS A 199 -29.210 5.690 -5.406 1.00 24.60 C ATOM 1655 C LYS A 199 -29.589 6.043 -3.984 1.00 24.87 C ATOM 1656 O LYS A 199 -29.829 7.203 -3.637 1.00 26.43 O ATOM 1657 CB LYS A 199 -27.678 5.560 -5.481 1.00 38.14 C ATOM 1658 CG LYS A 199 -27.134 5.116 -6.845 1.00 68.51 C ATOM 1659 CD LYS A 199 -25.598 5.236 -6.933 1.00 88.28 C ATOM 1660 CE LYS A 199 -25.040 4.667 -8.250 1.00 81.59 C ATOM 1661 NZ LYS A 199 -23.682 4.076 -8.080 1.00 65.24 N ATOM 1662 HZ1 LYS A 199 -23.026 4.809 -7.741 1.00 0.00 H ATOM 1663 HZ2 LYS A 199 -23.726 3.302 -7.387 1.00 0.00 H ATOM 1664 HZ3 LYS A 199 -23.349 3.707 -8.993 1.00 0.00 H ATOM 1665 H LYS A 199 -29.169 7.547 -6.478 1.00 0.00 H ATOM 1666 N LYS A 200 -29.570 5.005 -3.145 1.00 35.66 N ATOM 1667 CA LYS A 200 -29.591 5.174 -1.690 1.00 43.15 C ATOM 1668 C LYS A 200 -30.768 6.025 -1.268 1.00 43.02 C ATOM 1669 O LYS A 200 -30.667 6.855 -0.357 1.00 34.71 O ATOM 1670 CB LYS A 200 -28.287 5.790 -1.189 1.00 55.05 C ATOM 1671 CG LYS A 200 -27.049 4.958 -1.423 1.00 56.88 C ATOM 1672 CD LYS A 200 -25.852 5.621 -0.798 1.00 48.88 C ATOM 1673 CE LYS A 200 -24.633 4.697 -0.787 1.00 47.06 C ATOM 1674 NZ LYS A 200 -23.907 4.670 -2.062 1.00 39.45 N ATOM 1675 HZ1 LYS A 200 -24.543 4.338 -2.815 1.00 0.00 H ATOM 1676 HZ2 LYS A 200 -23.570 5.628 -2.288 1.00 0.00 H ATOM 1677 HZ3 LYS A 200 -23.095 4.025 -1.983 1.00 0.00 H ATOM 1678 H LYS A 200 -29.539 4.043 -3.538 1.00 0.00 H ATOM 1679 N ALA A 201 -31.902 5.796 -1.928 1.00 47.46 N ATOM 1680 CA ALA A 201 -33.137 6.469 -1.569 1.00 60.14 C ATOM 1681 C ALA A 201 -33.637 6.076 -0.187 1.00 60.16 C ATOM 1682 O ALA A 201 -34.649 6.606 0.268 1.00 59.21 O ATOM 1683 CB ALA A 201 -34.250 6.144 -2.561 1.00 79.82 C ATOM 1684 H ALA A 201 -31.903 5.120 -2.718 1.00 0.00 H ATOM 1685 N HIS A 202 -32.917 5.187 0.498 1.00 59.80 N ATOM 1686 CA HIS A 202 -33.275 4.825 1.860 1.00 55.11 C ATOM 1687 C HIS A 202 -32.545 5.689 2.871 1.00 50.32 C ATOM 1688 O HIS A 202 -32.617 5.413 4.071 1.00 48.36 O ATOM 1689 CB HIS A 202 -32.973 3.342 2.121 1.00 62.95 C ATOM 1690 CG HIS A 202 -31.522 2.978 1.994 1.00 66.45 C ATOM 1691 ND1 HIS A 202 -30.848 3.002 0.791 1.00 64.60 N ATOM 1692 CD2 HIS A 202 -30.623 2.561 2.918 1.00 68.16 C ATOM 1693 CE1 HIS A 202 -29.594 2.629 0.981 1.00 62.10 C ATOM 1694 NE2 HIS A 202 -29.431 2.358 2.264 1.00 66.66 N ATOM 1695 H HIS A 202 -32.087 4.746 0.052 1.00 0.00 H ATOM 1696 N HIS A 203 -31.906 6.772 2.421 1.00 41.91 N ATOM 1697 CA HIS A 203 -31.267 7.722 3.326 1.00 50.02 C ATOM 1698 C HIS A 203 -32.025 9.043 3.371 1.00 45.51 C ATOM 1699 O HIS A 203 -31.573 9.993 4.031 1.00 43.90 O ATOM 1700 CB HIS A 203 -29.800 7.937 2.937 1.00 60.72 C ATOM 1701 CG HIS A 203 -28.900 6.802 3.325 1.00 85.43 C ATOM 1702 ND1 HIS A 203 -27.854 6.374 2.535 1.00 92.43 N ATOM 1703 CD2 HIS A 203 -28.868 6.031 4.439 1.00 95.16 C ATOM 1704 CE1 HIS A 203 -27.230 5.377 3.137 1.00 97.80 C ATOM 1705 NE2 HIS A 203 -27.825 5.150 4.294 1.00 96.19 N ATOM 1706 H HIS A 203 -31.863 6.943 1.396 1.00 0.00 H ATOM 1707 N HIS A 204 -33.169 9.100 2.681 1.00 33.61 N ATOM 1708 CA HIS A 204 -33.980 10.281 2.451 1.00 33.83 C ATOM 1709 C HIS A 204 -35.420 10.064 2.919 1.00 30.51 C ATOM 1710 O HIS A 204 -35.927 8.933 2.895 1.00 32.89 O ATOM 1711 CB HIS A 204 -34.076 10.611 0.956 1.00 39.91 C ATOM 1712 CG HIS A 204 -32.763 10.716 0.246 1.00 59.15 C ATOM 1713 ND1 HIS A 204 -31.984 11.852 0.295 1.00 65.98 N ATOM 1714 CD2 HIS A 204 -32.126 9.859 -0.589 1.00 65.58 C ATOM 1715 CE1 HIS A 204 -30.905 11.675 -0.447 1.00 70.03 C ATOM 1716 NE2 HIS A 204 -30.970 10.477 -0.999 1.00 66.14 N ATOM 1717 H HIS A 204 -33.512 8.209 2.268 1.00 0.00 H ATOM 1718 N HIS A 205 -36.095 11.156 3.284 1.00 29.17 N ATOM 1719 CA HIS A 205 -37.538 11.148 3.527 1.00 28.21 C ATOM 1720 C HIS A 205 -38.264 11.684 2.285 1.00 33.81 C ATOM 1721 O HIS A 205 -37.955 12.780 1.806 1.00 30.14 O ATOM 1722 CB HIS A 205 -37.907 11.976 4.752 1.00 35.40 C ATOM 1723 CG HIS A 205 -39.358 11.882 5.091 1.00 39.84 C ATOM 1724 ND1 HIS A 205 -39.905 10.780 5.714 1.00 44.07 N ATOM 1725 CD2 HIS A 205 -40.391 12.713 4.821 1.00 42.27 C ATOM 1726 CE1 HIS A 205 -41.208 10.954 5.847 1.00 43.44 C ATOM 1727 NE2 HIS A 205 -41.527 12.121 5.317 1.00 41.86 N ATOM 1728 H HIS A 205 -35.574 12.049 3.400 1.00 0.00 H ATOM 1729 N HIS A 206 -39.271 10.944 1.814 1.00 23.72 N ATOM 1730 CA HIS A 206 -39.953 11.192 0.541 1.00 21.86 C ATOM 1731 C HIS A 206 -41.286 11.898 0.729 1.00 23.29 C ATOM 1732 O HIS A 206 -41.920 11.734 1.765 1.00 25.93 O ATOM 1733 CB HIS A 206 -40.178 9.863 -0.166 1.00 20.50 C ATOM 1734 CG HIS A 206 -38.912 9.079 -0.378 1.00 21.29 C ATOM 1735 ND1 HIS A 206 -38.135 9.245 -1.496 1.00 23.69 N ATOM 1736 CD2 HIS A 206 -38.270 8.163 0.395 1.00 24.40 C ATOM 1737 CE1 HIS A 206 -37.078 8.454 -1.424 1.00 25.61 C ATOM 1738 NE2 HIS A 206 -37.128 7.797 -0.279 1.00 24.11 N ATOM 1739 H HIS A 206 -39.592 10.139 2.388 1.00 0.00 H ATOM 1740 N HIS A 207 -41.633 12.785 -0.216 1.00 24.54 N ATOM 1741 CA HIS A 207 -42.845 13.598 -0.089 1.00 23.64 C ATOM 1742 C HIS A 207 -43.982 13.233 -1.034 1.00 20.23 C ATOM 1743 O HIS A 207 -43.677 12.693 -2.100 1.00 21.29 O ATOM 1744 CB HIS A 207 -42.446 15.075 -0.265 1.00 39.72 C ATOM 1745 CG HIS A 207 -41.461 15.540 0.761 1.00 50.99 C ATOM 1746 ND1 HIS A 207 -41.832 15.887 2.043 1.00 53.64 N ATOM 1747 CD2 HIS A 207 -40.109 15.612 0.728 1.00 53.98 C ATOM 1748 CE1 HIS A 207 -40.755 16.210 2.737 1.00 56.75 C ATOM 1749 NE2 HIS A 207 -39.697 16.049 1.964 1.00 56.83 N ATOM 1750 OXT HIS A 207 -45.155 13.542 -0.656 1.00 22.75 O ATOM 1751 H HIS A 207 -41.029 12.898 -1.055 1.00 0.00 H TER 1752 HIS A 207 HETATM 1753 O HOH 1 -46.059 15.690 -0.358 1.00 40.01 O HETATM 1754 O HOH 2 -29.928 23.394 -8.437 1.00 32.55 O HETATM 1755 O HOH 3 -34.790 -1.147 -45.424 1.00 36.24 O HETATM 1756 O HOH 4 -32.167 3.950 5.933 1.00 47.49 O HETATM 1757 O HOH 5 -25.467 1.517 -17.916 1.00 43.10 O HETATM 1758 O HOH 6 -31.435 8.665 6.117 1.00 48.16 O HETATM 1759 O HOH 7 -48.951 -0.312 -30.091 1.00 34.54 O HETATM 1760 O HOH 8 -34.575 23.527 -33.458 1.00 32.05 O HETATM 1761 O HOH 9 -16.597 0.684 -30.671 1.00 60.21 O HETATM 1762 O HOH 10 -43.685 18.661 -19.157 1.00 20.01 O HETATM 1763 O HOH 11 -29.478 8.697 -51.334 1.00 27.97 O HETATM 1764 O HOH 12 -19.330 1.637 -43.174 1.00 40.91 O HETATM 1765 O HOH 13 -25.347 14.781 -51.720 1.00 46.61 O HETATM 1766 O HOH 14 -48.513 -0.987 -25.585 1.00 35.49 O HETATM 1767 O HOH 15 -32.090 2.555 -20.676 1.00 13.84 O HETATM 1768 O HOH 16 -24.655 18.945 -2.918 1.00 34.39 O HETATM 1769 O HOH 17 -28.195 0.096 -12.895 1.00 44.51 O HETATM 1770 O HOH 18 -19.112 5.275 -27.962 1.00 25.01 O HETATM 1771 O HOH 19 -46.829 -5.819 -30.745 1.00 39.43 O HETATM 1772 O HOH 20 -44.417 22.388 -10.005 1.00 17.56 O HETATM 1773 O HOH 21 -47.647 23.796 -17.586 1.00 13.52 O HETATM 1774 O HOH 22 -36.417 2.966 -20.718 1.00 14.46 O HETATM 1775 O HOH 23 -21.242 4.489 -8.969 1.00 28.87 O HETATM 1776 O HOH 24 -35.558 -5.451 -46.785 1.00 35.10 O HETATM 1777 O HOH 25 -39.688 13.341 -2.327 1.00 20.31 O HETATM 1778 O HOH 26 -27.920 13.913 -34.255 1.00 15.57 O HETATM 1779 O HOH 27 -23.780 -3.336 -38.097 1.00 17.14 O HETATM 1780 O HOH 28 -44.319 -11.339 -36.531 1.00 22.94 O HETATM 1781 O HOH 29 -38.256 0.343 -26.387 1.00 14.65 O HETATM 1782 O HOH 30 -28.872 1.657 -47.769 1.00 32.27 O HETATM 1783 O HOH 31 -41.329 17.254 -3.347 1.00 33.00 O HETATM 1784 O HOH 32 -22.448 3.077 -27.104 1.00 15.33 O HETATM 1785 O HOH 33 -27.861 22.041 -12.344 1.00 33.36 O HETATM 1786 O HOH 34 -20.277 16.706 -30.648 1.00 38.63 O HETATM 1787 O HOH 35 -21.155 2.228 -23.110 1.00 43.48 O HETATM 1788 O HOH 36 -28.877 9.937 -2.568 1.00 43.37 O HETATM 1789 O HOH 37 -31.799 13.318 -38.633 1.00 13.21 O HETATM 1790 O HOH 38 -27.815 0.979 -41.867 1.00 13.07 O HETATM 1791 O HOH 39 -20.787 14.266 -41.901 1.00 45.34 O HETATM 1792 O HOH 40 -26.354 0.892 -33.910 1.00 12.02 O HETATM 1793 O HOH 41 -22.345 20.397 -28.991 1.00 28.43 O HETATM 1794 O HOH 42 -32.716 26.141 -16.766 1.00 23.77 O HETATM 1795 O HOH 43 -44.760 14.609 -16.091 1.00 28.60 O HETATM 1796 O HOH 44 -29.876 24.097 -17.483 1.00 21.83 O HETATM 1797 O HOH 45 -23.826 15.284 -31.727 1.00 20.30 O HETATM 1798 O HOH 46 -35.457 25.540 -16.421 1.00 24.11 O HETATM 1799 O HOH 47 -20.236 -4.035 -34.392 1.00 41.33 O HETATM 1800 O HOH 48 -45.902 16.491 -17.660 1.00 28.99 O HETATM 1801 O HOH 49 -32.656 -0.822 -18.819 1.00 36.73 O HETATM 1802 O HOH 50 -47.372 29.897 -23.994 1.00 49.40 O HETATM 1803 O HOH 51 -25.664 21.174 -10.796 1.00 25.73 O HETATM 1804 O HOH 52 -33.715 14.229 1.278 1.00 44.28 O HETATM 1805 O HOH 53 -36.892 24.207 -5.420 1.00 32.91 O HETATM 1806 O HOH 54 -23.329 19.333 -17.894 1.00 19.39 O HETATM 1807 O HOH 55 -19.144 11.102 -26.881 1.00 41.16 O HETATM 1808 O HOH 56 -25.042 18.780 -38.439 1.00 40.69 O HETATM 1809 O HOH 57 -17.971 13.101 -25.619 1.00 21.63 O HETATM 1810 O HOH 58 -26.650 8.148 -38.499 1.00 14.51 O HETATM 1811 O HOH 59 -35.353 10.400 -44.249 1.00 22.98 O HETATM 1812 O HOH 60 -41.326 -7.436 -27.524 1.00 33.58 O HETATM 1813 O HOH 61 -23.634 0.572 -44.393 1.00 20.47 O HETATM 1814 O HOH 62 -34.750 -9.410 -43.577 1.00 15.85 O HETATM 1815 O HOH 63 -39.222 15.553 -40.269 1.00 33.55 O HETATM 1816 O HOH 64 -40.378 4.667 -8.872 1.00 28.51 O HETATM 1817 O HOH 65 -27.985 9.312 -6.635 1.00 20.30 O HETATM 1818 O HOH 66 -47.252 26.454 -25.280 1.00 32.45 O HETATM 1819 O HOH 67 -21.438 19.314 -10.736 1.00 18.33 O HETATM 1820 O HOH 68 -33.927 19.190 -10.504 1.00 19.22 O HETATM 1821 O HOH 69 -42.452 16.296 -23.355 1.00 16.33 O HETATM 1822 O HOH 70 -34.182 16.913 -1.673 1.00 38.38 O HETATM 1823 O HOH 71 -45.815 21.106 -8.111 1.00 18.17 O HETATM 1824 O HOH 72 -28.965 16.055 -42.491 1.00 23.90 O HETATM 1825 O HOH 73 -24.253 22.306 -27.730 1.00 39.63 O HETATM 1826 O HOH 74 -45.764 10.331 -38.278 1.00 31.64 O HETATM 1827 O HOH 75 -42.332 1.974 -24.094 1.00 31.81 O HETATM 1828 O HOH 76 -21.363 -2.850 -36.786 1.00 34.54 O HETATM 1829 O HOH 77 -45.980 9.068 -34.214 1.00 19.79 O HETATM 1830 O HOH 78 -18.247 10.457 -23.429 1.00 18.93 O HETATM 1831 O HOH 79 -36.916 11.334 -39.909 1.00 22.29 O HETATM 1832 O HOH 80 -34.034 21.207 -2.811 1.00 40.56 O HETATM 1833 O HOH 81 -33.306 14.810 -44.821 1.00 19.85 O HETATM 1834 O HOH 82 -28.209 18.176 -40.643 1.00 30.19 O HETATM 1835 O HOH 83 -45.111 22.474 -27.978 1.00 41.07 O HETATM 1836 O HOH 84 -27.206 21.314 -37.936 1.00 65.40 O HETATM 1837 O HOH 85 -34.486 20.655 -37.908 1.00 18.20 O HETATM 1838 O HOH 86 -42.587 -6.124 -31.101 1.00 16.95 O HETATM 1839 O HOH 87 -41.528 6.298 -16.490 1.00 27.14 O HETATM 1840 O HOH 88 -37.981 17.155 -5.723 1.00 16.93 O HETATM 1841 O HOH 89 -22.549 -1.195 -28.408 1.00 26.48 O HETATM 1842 O HOH 90 -21.180 14.080 -35.231 1.00 35.67 O HETATM 1843 O HOH 91 -41.910 12.327 -16.766 1.00 15.80 O HETATM 1844 O HOH 92 -31.255 23.997 -15.179 1.00 18.69 O HETATM 1845 O HOH 93 -36.631 6.208 2.522 1.00 25.30 O HETATM 1846 O HOH 94 -41.382 10.473 -14.749 1.00 17.98 O HETATM 1847 O HOH 95 -41.092 12.044 -19.436 1.00 17.66 O HETATM 1848 O HOH 96 -21.968 11.614 -50.119 1.00 30.74 O HETATM 1849 O HOH 97 -44.223 20.501 -3.721 1.00 32.38 O HETATM 1850 O HOH 98 -44.656 15.897 -30.070 1.00 39.85 O HETATM 1851 O HOH 99 -23.659 15.129 -48.250 1.00 40.86 O HETATM 1852 O HOH 100 -37.911 17.628 -1.658 1.00 40.46 O HETATM 1853 O HOH 101 -44.239 12.620 -29.610 1.00 26.82 O HETATM 1854 O HOH 102 -40.511 26.284 -28.720 1.00 41.62 O HETATM 1855 O HOH 103 -19.278 6.531 -35.222 1.00 29.32 O HETATM 1856 O HOH 104 -40.185 10.758 -11.025 1.00 17.48 O HETATM 1857 O HOH 105 -34.498 13.475 3.809 1.00 47.00 O HETATM 1858 O HOH 106 -36.936 20.812 -4.721 1.00 32.75 O HETATM 1859 O HOH 107 -25.584 25.125 -16.397 1.00 51.02 O HETATM 1860 O HOH 108 -23.088 5.453 -49.577 1.00 43.83 O HETATM 1861 O HOH 109 -35.727 -0.176 -19.188 1.00 39.13 O HETATM 1862 O HOH 110 -37.067 26.302 -11.052 1.00 30.75 O HETATM 1863 O HOH 111 -21.041 7.975 -26.040 1.00 15.17 O HETATM 1864 O HOH 112 -20.850 12.149 -36.576 1.00 26.06 O HETATM 1865 O HOH 113 -26.927 -7.127 -31.863 1.00 41.63 O HETATM 1866 O HOH 114 -24.548 23.814 -22.492 1.00 24.39 O HETATM 1867 O HOH 115 -38.630 9.215 -37.718 1.00 22.98 O HETATM 1868 O HOH 116 -38.962 25.372 -21.484 1.00 31.45 O HETATM 1869 O HOH 117 -27.074 -5.375 -30.026 1.00 27.84 O HETATM 1870 O HOH 118 -42.815 9.864 -20.025 1.00 20.83 O HETATM 1871 O HOH 119 -27.357 22.786 -7.657 1.00 40.36 O HETATM 1872 O HOH 120 -22.904 0.043 -26.006 1.00 22.52 O HETATM 1873 O HOH 121 -34.939 -3.442 -42.713 1.00 28.02 O HETATM 1874 O HOH 122 -26.854 15.348 -49.080 1.00 45.37 O HETATM 1875 O HOH 123 -30.414 17.937 -3.394 1.00 40.15 O HETATM 1876 O HOH 124 -40.157 -7.241 -31.418 1.00 30.79 O HETATM 1877 O HOH 125 -43.367 13.990 -32.992 1.00 44.51 O HETATM 1878 O HOH 126 -30.832 -4.254 -23.465 1.00 36.35 O HETATM 1879 O HOH 127 -22.967 18.920 -31.832 1.00 30.89 O HETATM 1880 O HOH 128 -23.495 -2.971 -45.331 1.00 26.40 O HETATM 1881 O HOH 129 -43.294 -10.144 -27.153 1.00 37.99 O HETATM 1882 O HOH 130 -27.632 23.974 -33.899 1.00 49.27 O HETATM 1883 O HOH 131 -27.007 -3.902 -25.861 1.00 31.11 O HETATM 1884 O HOH 132 -38.081 16.968 -33.511 1.00 15.37 O HETATM 1885 O HOH 133 -40.877 -0.103 -25.621 1.00 18.79 O HETATM 1886 O HOH 134 -45.783 13.230 2.255 1.00 27.18 O HETATM 1887 O HOH 135 -38.154 2.321 -8.416 1.00 29.26 O HETATM 1888 O HOH 136 -24.595 -7.982 -31.995 1.00 56.01 O HETATM 1889 O HOH 137 -44.260 11.710 -32.116 1.00 27.53 O HETATM 1890 O HOH 138 -23.735 17.491 -13.612 1.00 18.84 O HETATM 1891 O HOH 139 -39.252 22.880 -21.359 1.00 21.67 O HETATM 1892 O HOH 140 -19.239 0.512 -35.353 1.00 30.02 O HETATM 1893 O HOH 141 -42.298 12.289 -12.899 1.00 19.51 O HETATM 1894 O HOH 142 -34.635 -1.282 -21.842 1.00 26.51 O HETATM 1895 O HOH 143 -28.367 11.320 -4.707 1.00 26.79 O HETATM 1896 O HOH 144 -39.593 26.665 -12.694 1.00 45.10 O HETATM 1897 O HOH 145 -34.756 -9.422 -35.427 1.00 31.94 O HETATM 1898 O HOH 146 -39.843 0.981 -14.272 1.00 38.67 O HETATM 1899 O HOH 147 -26.313 23.424 -31.100 1.00 32.21 O HETATM 1900 O HOH 148 -42.842 22.278 -29.620 1.00 39.90 O HETATM 1901 O HOH 149 -34.686 26.303 -12.483 1.00 34.22 O HETATM 1902 O HOH 150 -32.071 -6.748 -34.055 1.00 35.68 O HETATM 1903 O HOH 151 -33.202 1.209 -45.426 1.00 19.99 O HETATM 1904 O HOH 152 -24.278 20.084 -13.226 1.00 28.81 O HETATM 1905 O HOH 153 -44.316 11.659 -17.747 1.00 23.86 O HETATM 1906 O HOH 154 -44.729 18.400 -29.567 1.00 30.11 O HETATM 1907 O HOH 155 -23.222 26.007 -18.527 1.00 43.31 O HETATM 1908 O HOH 156 -21.097 17.057 -12.477 1.00 22.27 O HETATM 1909 O HOH 157 -30.030 24.401 -38.346 1.00 43.13 O HETATM 1910 O HOH 158 -29.232 -2.571 -18.941 1.00 42.53 O HETATM 1911 O HOH 159 -44.538 13.560 -13.891 1.00 39.06 O HETATM 1912 O HOH 160 -24.919 17.458 -48.885 1.00 45.52 O HETATM 1913 O HOH 161 -50.868 2.440 -33.570 1.00 46.76 O HETATM 1914 O HOH 162 -27.411 18.845 -48.566 1.00 51.56 O HETATM 1915 O HOH 163 -34.992 -5.727 -36.298 1.00 25.57 O HETATM 1916 O HOH 164 -43.160 24.507 -8.041 1.00 48.72 O HETATM 1917 O HOH 165 -23.315 0.517 -46.815 1.00 38.34 O HETATM 1918 O HOH 166 -27.352 24.136 -42.342 1.00 54.52 O HETATM 1919 O HOH 167 -31.019 -5.412 -31.076 1.00 37.03 O HETATM 1920 O HOH 168 -38.020 -6.826 -33.309 1.00 45.73 O HETATM 1921 O HOH 169 -24.786 7.678 -3.680 1.00 32.30 O HETATM 1922 O HOH 170 -33.533 12.229 -45.593 1.00 39.45 O HETATM 1923 O HOH 171 -36.493 -1.983 -47.121 1.00 38.25 O HETATM 1924 O HOH 172 -23.840 23.591 -25.514 1.00 37.04 O HETATM 1925 O HOH 173 -34.403 -2.249 -49.365 1.00 32.58 O HETATM 1926 O HOH 174 -32.331 -0.925 -49.398 1.00 42.30 O HETATM 1927 O HOH 175 -19.684 8.422 -34.187 1.00 39.11 O HETATM 1928 O HOH 176 -18.601 9.105 -25.945 1.00 37.35 O HETATM 1929 O HOH 177 -42.437 7.384 -21.594 1.00 44.07 O HETATM 1930 O HOH 178 -34.643 23.124 -37.703 1.00 39.53 O HETATM 1931 O HOH 179 -39.193 18.231 -3.711 1.00 34.27 O HETATM 1932 O HOH 180 -39.478 -7.860 -28.848 1.00 35.94 O HETATM 1933 O HOH 181 -31.719 19.782 -2.299 1.00 41.02 O HETATM 1934 O HOH 182 -36.896 -2.039 -25.987 1.00 21.71 O HETATM 1935 O HOH 183 -33.271 -3.781 -24.837 1.00 44.38 O HETATM 1936 O HOH 184 -28.134 -5.951 -27.487 1.00 39.24 O HETATM 1937 O HOH 185 -21.638 21.185 -12.458 1.00 29.78 O HETATM 1938 O HOH 186 -34.347 -1.630 -24.759 1.00 30.04 O HETATM 1939 O HOH 187 -38.106 -3.119 -24.101 1.00 57.21 O HETATM 1940 O HOH 188 -21.051 16.665 -35.400 1.00 44.10 O HETATM 1941 O HOH 189 -37.412 -6.712 -27.524 1.00 40.42 O HETATM 1942 O HOH 190 -42.195 -4.431 -42.054 1.00 28.04 O HETATM 1943 O HOH 191 -43.459 -3.894 -36.961 1.00 18.08 O HETATM 1944 O HOH 192 -49.271 2.320 -36.131 1.00 43.37 O HETATM 1945 O HOH 193 -33.043 -3.354 -30.486 1.00 21.02 O HETATM 1946 O HOH 194 -37.345 3.784 -46.152 1.00 15.85 O HETATM 1947 O HOH 195 -30.813 3.772 -35.982 1.00 11.13 O HETATM 1948 O HOH 196 -37.863 -6.251 -37.002 1.00 17.45 O HETATM 1949 O HOH 197 -37.647 4.233 -37.064 1.00 15.27 O HETATM 1950 O HOH 198 -41.750 -0.309 -41.552 1.00 17.68 O HETATM 1951 O HOH 199 -41.041 -7.323 -42.520 1.00 42.07 O HETATM 1952 O HOH 200 -35.395 2.738 -44.577 1.00 18.54 O HETATM 1953 O HOH 201 -37.356 -1.955 -42.413 1.00 27.74 O HETATM 1954 O HOH 202 -35.175 -5.955 -33.829 1.00 39.79 O HETATM 1955 O HOH 203 -47.206 10.301 -31.808 1.00 38.77 O HETATM 1956 O HOH 204 -37.721 6.683 -38.681 1.00 13.66 O HETATM 1957 O HOH 205 -43.629 -2.421 -40.880 1.00 22.80 O HETATM 1958 O HOH 206 -34.699 -3.909 -28.019 1.00 36.92 O HETATM 1959 O HOH 207 -43.208 0.357 -43.817 1.00 21.76 O HETATM 1960 N BAL A 208 -39.997 9.925 -46.576 1.00 0.22 N HETATM 1961 CB BAL A 208 -39.476 8.604 -46.257 1.00 -0.02 C HETATM 1962 CA BAL A 208 -38.011 8.783 -45.787 1.00 0.08 C HETATM 1963 C BAL A 208 -37.341 7.485 -45.456 1.00 0.18 C HETATM 1964 O BAL A 208 -37.876 6.415 -45.624 1.00 -0.40 O HETATM 1965 N BAL A 208 -36.116 7.617 -44.978 1.00 -0.26 N HETATM 1966 CA BAL A 208 -35.381 6.531 -44.406 1.00 0.14 C HETATM 1967 C BAL A 208 -35.933 6.195 -43.030 1.00 0.21 C HETATM 1968 O BAL A 208 -36.332 7.089 -42.262 1.00 -0.39 O HETATM 1969 N BAL A 208 -35.893 4.923 -42.673 1.00 -0.26 N HETATM 1970 CA BAL A 208 -36.275 4.501 -41.334 1.00 0.13 C HETATM 1971 C BAL A 208 -35.046 4.271 -40.466 1.00 0.20 C HETATM 1972 O BAL A 208 -34.069 3.648 -40.883 1.00 -0.39 O HETATM 1973 N BAL A 208 -35.130 4.675 -39.211 1.00 -0.26 N HETATM 1974 CA BAL A 208 -34.048 4.440 -38.274 1.00 0.13 C HETATM 1975 C BAL A 208 -34.007 3.029 -37.714 1.00 0.20 C HETATM 1976 O BAL A 208 -32.946 2.595 -37.241 1.00 -0.39 O HETATM 1977 N BAL A 208 -35.131 2.326 -37.708 1.00 -0.26 N HETATM 1978 CA BAL A 208 -35.218 1.018 -37.056 1.00 0.14 C HETATM 1979 C BAL A 208 -36.036 0.091 -37.948 1.00 0.21 C HETATM 1980 O BAL A 208 -37.081 0.503 -38.486 1.00 -0.39 O HETATM 1981 N BAL A 208 -35.616 -1.167 -38.140 1.00 -0.25 N HETATM 1982 CA BAL A 208 -36.346 -2.019 -39.075 1.00 0.13 C HETATM 1983 C BAL A 208 -37.788 -2.249 -38.653 1.00 0.20 C HETATM 1984 O BAL A 208 -38.096 -2.388 -37.468 1.00 -0.39 O HETATM 1985 N BAL A 208 -38.659 -2.347 -39.654 1.00 -0.26 N HETATM 1986 CA BAL A 208 -40.053 -2.733 -39.431 1.00 0.14 C HETATM 1987 C BAL A 208 -40.736 -1.842 -38.405 1.00 0.21 C HETATM 1988 O BAL A 208 -41.504 -2.313 -37.562 1.00 -0.39 O HETATM 1989 N BAL A 208 -40.407 -0.555 -38.429 1.00 -0.26 N HETATM 1990 CA BAL A 208 -41.024 0.403 -37.524 1.00 0.15 C HETATM 1991 C BAL A 208 -41.997 1.299 -38.277 1.00 0.21 C HETATM 1992 O BAL A 208 -41.814 1.613 -39.455 1.00 -0.39 O HETATM 1993 N BAL A 208 -43.068 1.647 -37.581 1.00 -0.26 N HETATM 1994 CA BAL A 208 -44.154 2.484 -38.084 1.00 0.13 C HETATM 1995 C BAL A 208 -44.546 3.481 -37.023 1.00 0.21 C HETATM 1996 O BAL A 208 -44.357 3.254 -35.804 1.00 -0.39 O HETATM 1997 N BAL A 208 -45.132 4.604 -37.403 1.00 -0.25 N HETATM 1998 CA BAL A 208 -45.570 5.575 -36.404 1.00 0.13 C HETATM 1999 C BAL A 208 -46.592 4.985 -35.448 1.00 0.20 C HETATM 2000 O BAL A 208 -47.441 4.175 -35.819 1.00 -0.39 O HETATM 2001 N BAL A 208 -46.520 5.437 -34.206 1.00 -0.27 N HETATM 2002 CA BAL A 208 -47.457 5.060 -33.198 1.00 0.10 C HETATM 2003 C BAL A 208 -48.212 6.312 -32.896 1.00 0.06 C HETATM 2004 O BAL A 208 -47.628 7.210 -32.260 1.00 -0.57 O HETATM 2005 OXT BAL A 208 -49.389 6.398 -33.295 1.00 -0.57 O HETATM 2006 CB BAL A 208 -46.805 4.539 -31.954 1.00 0.01 C HETATM 2007 CG BAL A 208 -47.840 4.364 -30.865 1.00 -0.05 C HETATM 2008 CD1 BAL A 208 -48.214 5.441 -30.076 1.00 -0.07 C HETATM 2009 CE1 BAL A 208 -49.175 5.308 -29.073 1.00 -0.04 C HETATM 2010 CZ BAL A 208 -49.777 4.088 -28.876 1.00 0.08 C HETATM 2011 CE2 BAL A 208 -49.432 3.005 -29.656 1.00 -0.04 C HETATM 2012 CD2 BAL A 208 -48.485 3.154 -30.662 1.00 -0.07 C HETATM 2013 H80 BAL A 208 -48.247 2.310 -31.299 1.00 0.05 H HETATM 2014 H82 BAL A 208 -49.898 2.041 -29.485 1.00 0.05 H HETATM 2015 OH BAL A 208 -50.726 3.944 -27.893 1.00 -0.34 O HETATM 2016 H83 BAL A 208 -50.849 4.775 -27.449 1.00 0.25 H HETATM 2017 H81 BAL A 208 -49.444 6.158 -28.456 1.00 0.05 H HETATM 2018 H79 BAL A 208 -47.750 6.407 -30.242 1.00 0.05 H HETATM 2019 H77 BAL A 208 -46.039 5.253 -31.617 1.00 0.04 H HETATM 2020 H78 BAL A 208 -46.334 3.569 -32.168 1.00 0.04 H HETATM 2021 H76 BAL A 208 -48.136 4.288 -33.590 1.00 0.07 H HETATM 2022 H75 BAL A 208 -45.781 6.066 -33.965 1.00 0.19 H HETATM 2023 CB BAL A 208 -46.167 6.711 -37.232 1.00 -0.01 C HETATM 2024 CG BAL A 208 -45.437 6.574 -38.584 1.00 -0.03 C HETATM 2025 CD BAL A 208 -45.280 5.102 -38.792 1.00 0.04 C HETATM 2026 H73 BAL A 208 -46.168 4.671 -39.278 1.00 0.05 H HETATM 2027 H74 BAL A 208 -44.387 4.877 -39.394 1.00 0.05 H HETATM 2028 H71 BAL A 208 -44.454 7.066 -38.544 1.00 0.03 H HETATM 2029 H72 BAL A 208 -46.036 7.017 -39.393 1.00 0.03 H HETATM 2030 H69 BAL A 208 -45.962 7.688 -36.769 1.00 0.03 H HETATM 2031 H70 BAL A 208 -47.253 6.583 -37.354 1.00 0.03 H HETATM 2032 H68 BAL A 208 -44.709 5.937 -35.822 1.00 0.08 H HETATM 2033 CB BAL A 208 -45.380 1.649 -38.478 1.00 -0.01 C HETATM 2034 CG1 BAL A 208 -45.051 0.596 -39.588 1.00 -0.06 C HETATM 2035 H62 BAL A 208 -45.959 0.026 -39.834 1.00 0.02 H HETATM 2036 H63 BAL A 208 -44.274 -0.092 -39.222 1.00 0.02 H HETATM 2037 H64 BAL A 208 -44.688 1.113 -40.488 1.00 0.02 H HETATM 2038 CG2 BAL A 208 -45.948 0.934 -37.297 1.00 -0.06 C HETATM 2039 H65 BAL A 208 -46.185 1.662 -36.507 1.00 0.02 H HETATM 2040 H66 BAL A 208 -45.213 0.209 -36.919 1.00 0.02 H HETATM 2041 H67 BAL A 208 -46.865 0.405 -37.595 1.00 0.02 H HETATM 2042 H61 BAL A 208 -46.143 2.337 -38.870 1.00 0.03 H HETATM 2043 H60 BAL A 208 -43.798 3.025 -38.973 1.00 0.08 H HETATM 2044 H59 BAL A 208 -43.139 1.312 -36.641 1.00 0.19 H HETATM 2045 CB BAL A 208 -39.960 1.219 -36.754 1.00 0.08 C HETATM 2046 OG BAL A 208 -39.147 1.987 -37.612 1.00 -0.39 O HETATM 2047 H58 BAL A 208 -38.694 1.411 -38.217 1.00 0.21 H HETATM 2048 H56 BAL A 208 -39.321 0.523 -36.191 1.00 0.06 H HETATM 2049 H57 BAL A 208 -40.472 1.895 -36.054 1.00 0.06 H HETATM 2050 H55 BAL A 208 -41.603 -0.165 -36.781 1.00 0.08 H HETATM 2051 H54 BAL A 208 -39.720 -0.238 -39.083 1.00 0.19 H HETATM 2052 CB BAL A 208 -40.122 -4.196 -39.024 1.00 0.04 C HETATM 2053 CG BAL A 208 -39.436 -5.086 -40.014 1.00 0.04 C HETATM 2054 OD1 BAL A 208 -39.853 -5.062 -41.199 1.00 -0.57 O HETATM 2055 OD2 BAL A 208 -38.456 -5.770 -39.639 1.00 -0.57 O HETATM 2056 H52 BAL A 208 -41.178 -4.495 -38.950 1.00 0.05 H HETATM 2057 H53 BAL A 208 -39.638 -4.315 -38.044 1.00 0.05 H HETATM 2058 H51 BAL A 208 -40.592 -2.618 -40.383 1.00 0.08 H HETATM 2059 H50 BAL A 208 -38.352 -2.151 -40.586 1.00 0.19 H HETATM 2060 CB BAL A 208 -35.555 -3.336 -39.065 1.00 -0.01 C HETATM 2061 CG BAL A 208 -34.177 -2.977 -38.573 1.00 -0.03 C HETATM 2062 CD BAL A 208 -34.410 -1.840 -37.622 1.00 0.04 C HETATM 2063 H48 BAL A 208 -34.582 -2.215 -36.602 1.00 0.05 H HETATM 2064 H49 BAL A 208 -33.551 -1.152 -37.620 1.00 0.05 H HETATM 2065 H46 BAL A 208 -33.535 -2.661 -39.408 1.00 0.03 H HETATM 2066 H47 BAL A 208 -33.713 -3.830 -38.055 1.00 0.03 H HETATM 2067 H44 BAL A 208 -35.502 -3.760 -40.079 1.00 0.03 H HETATM 2068 H45 BAL A 208 -36.027 -4.063 -38.388 1.00 0.03 H HETATM 2069 H43 BAL A 208 -36.338 -1.572 -40.080 1.00 0.08 H HETATM 2070 CB BAL A 208 -35.863 1.166 -35.677 1.00 0.02 C HETATM 2071 CG BAL A 208 -35.641 -0.014 -34.768 1.00 -0.05 C HETATM 2072 CD1 BAL A 208 -36.494 -1.094 -34.786 1.00 -0.07 C HETATM 2073 CE1 BAL A 208 -36.294 -2.189 -33.958 1.00 -0.04 C HETATM 2074 CZ BAL A 208 -35.249 -2.198 -33.092 1.00 0.08 C HETATM 2075 CE2 BAL A 208 -34.372 -1.125 -33.077 1.00 -0.04 C HETATM 2076 CD2 BAL A 208 -34.566 -0.061 -33.899 1.00 -0.07 C HETATM 2077 H39 BAL A 208 -33.866 0.766 -33.873 1.00 0.05 H HETATM 2078 H41 BAL A 208 -33.523 -1.135 -32.403 1.00 0.05 H HETATM 2079 OH BAL A 208 -35.059 -3.286 -32.265 1.00 -0.34 O HETATM 2080 H42 BAL A 208 -35.075 -3.001 -31.359 1.00 0.25 H HETATM 2081 H40 BAL A 208 -36.970 -3.035 -34.003 1.00 0.05 H HETATM 2082 H38 BAL A 208 -37.341 -1.089 -35.462 1.00 0.05 H HETATM 2083 H36 BAL A 208 -36.946 1.298 -35.814 1.00 0.05 H HETATM 2084 H37 BAL A 208 -35.443 2.060 -35.193 1.00 0.05 H HETATM 2085 H35 BAL A 208 -34.207 0.602 -36.933 1.00 0.08 H HETATM 2086 H34 BAL A 208 -35.941 2.699 -38.161 1.00 0.19 H HETATM 2087 CB BAL A 208 -34.145 5.410 -37.084 1.00 -0.02 C HETATM 2088 H31 BAL A 208 -33.318 5.217 -36.385 1.00 0.03 H HETATM 2089 H32 BAL A 208 -35.104 5.261 -36.567 1.00 0.03 H HETATM 2090 H33 BAL A 208 -34.083 6.446 -37.449 1.00 0.03 H HETATM 2091 H30 BAL A 208 -33.103 4.624 -38.806 1.00 0.08 H HETATM 2092 H29 BAL A 208 -35.953 5.151 -38.902 1.00 0.19 H HETATM 2093 CB BAL A 208 -37.105 3.219 -41.348 1.00 -0.01 C HETATM 2094 CG BAL A 208 -38.421 3.279 -42.088 1.00 -0.04 C HETATM 2095 CD1 BAL A 208 -39.126 1.902 -42.039 1.00 -0.06 C HETATM 2096 H23 BAL A 208 -40.081 1.960 -42.581 1.00 0.02 H HETATM 2097 H24 BAL A 208 -39.315 1.624 -40.992 1.00 0.02 H HETATM 2098 H25 BAL A 208 -38.483 1.144 -42.510 1.00 0.02 H HETATM 2099 CD2 BAL A 208 -39.257 4.381 -41.504 1.00 -0.06 C HETATM 2100 H26 BAL A 208 -38.706 5.331 -41.566 1.00 0.02 H HETATM 2101 H27 BAL A 208 -39.479 4.154 -40.451 1.00 0.02 H HETATM 2102 H28 BAL A 208 -40.198 4.465 -42.067 1.00 0.02 H HETATM 2103 H22 BAL A 208 -38.222 3.521 -43.143 1.00 0.03 H HETATM 2104 H20 BAL A 208 -37.320 2.948 -40.304 1.00 0.03 H HETATM 2105 H21 BAL A 208 -36.495 2.430 -41.813 1.00 0.03 H HETATM 2106 H19 BAL A 208 -36.880 5.303 -40.885 1.00 0.08 H HETATM 2107 H18 BAL A 208 -35.594 4.237 -43.336 1.00 0.19 H HETATM 2108 CB BAL A 208 -33.911 6.894 -44.250 1.00 0.00 C HETATM 2109 CG BAL A 208 -33.190 7.171 -45.532 1.00 -0.04 C HETATM 2110 CD1 BAL A 208 -32.912 8.387 -46.118 1.00 0.02 C HETATM 2111 NE1 BAL A 208 -32.200 8.206 -47.259 1.00 -0.29 N HETATM 2112 CE2 BAL A 208 -32.023 6.864 -47.456 1.00 0.06 C HETATM 2113 CD2 BAL A 208 -32.615 6.193 -46.372 1.00 -0.02 C HETATM 2114 CE3 BAL A 208 -32.571 4.806 -46.336 1.00 -0.07 C HETATM 2115 CZ3 BAL A 208 -31.907 4.158 -47.365 1.00 -0.08 C HETATM 2116 CH2 BAL A 208 -31.311 4.851 -48.394 1.00 -0.08 C HETATM 2117 CZ2 BAL A 208 -31.357 6.205 -48.469 1.00 -0.04 C HETATM 2118 H15 BAL A 208 -30.892 6.744 -49.287 1.00 0.05 H HETATM 2119 H17 BAL A 208 -30.789 4.299 -49.167 1.00 0.05 H HETATM 2120 H16 BAL A 208 -31.855 3.075 -47.359 1.00 0.05 H HETATM 2121 H14 BAL A 208 -33.039 4.250 -45.532 1.00 0.05 H HETATM 2122 H13 BAL A 208 -31.851 8.955 -47.874 1.00 0.22 H HETATM 2123 H12 BAL A 208 -33.219 9.354 -45.722 1.00 0.08 H HETATM 2124 H10 BAL A 208 -33.404 6.057 -43.747 1.00 0.04 H HETATM 2125 H11 BAL A 208 -33.846 7.794 -43.620 1.00 0.04 H HETATM 2126 H9 BAL A 208 -35.472 5.653 -45.062 1.00 0.08 H HETATM 2127 H8 BAL A 208 -35.683 8.517 -45.018 1.00 0.19 H HETATM 2128 H6 BAL A 208 -38.006 9.419 -44.890 1.00 0.06 H HETATM 2129 H7 BAL A 208 -37.443 9.276 -46.590 1.00 0.06 H HETATM 2130 H4 BAL A 208 -39.508 7.962 -47.150 1.00 0.08 H HETATM 2131 H5 BAL A 208 -40.075 8.148 -45.455 1.00 0.08 H HETATM 2132 H1 BAL A 208 -40.953 9.843 -46.886 1.00 0.20 H HETATM 2133 H2 BAL A 208 -39.440 10.338 -47.308 1.00 0.20 H HETATM 2134 H3 BAL A 208 -39.959 10.508 -45.755 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 97 98 101 102 103 CONECT 101 97 CONECT 102 97 CONECT 103 97 CONECT 380 379 1550 CONECT 751 750 828 CONECT 828 751 827 CONECT 1550 380 1549 CONECT 1960 1961 2132 2133 2134 CONECT 1961 1960 1962 2130 2131 CONECT 1962 1961 1963 2128 2129 CONECT 1963 1962 1964 1965 CONECT 1964 1963 CONECT 1965 1963 1966 2127 CONECT 1966 1965 1967 2108 2126 CONECT 1967 1966 1968 1969 CONECT 1968 1967 CONECT 1969 1967 1970 2107 CONECT 1970 1969 1971 2093 2106 CONECT 1971 1970 1972 1973 CONECT 1972 1971 CONECT 1973 1971 1974 2092 CONECT 1974 1973 1975 2087 2091 CONECT 1975 1974 1976 1977 CONECT 1976 1975 CONECT 1977 1975 1978 2086 CONECT 1978 1977 1979 2070 2085 CONECT 1979 1978 1980 1981 CONECT 1980 1979 CONECT 1981 1979 1982 2062 CONECT 1982 1981 1983 2060 2069 CONECT 1983 1982 1984 1985 CONECT 1984 1983 CONECT 1985 1983 1986 2059 CONECT 1986 1985 1987 2052 2058 CONECT 1987 1986 1988 1989 CONECT 1988 1987 CONECT 1989 1987 1990 2051 CONECT 1990 1989 1991 2045 2050 CONECT 1991 1990 1992 1993 CONECT 1992 1991 CONECT 1993 1991 1994 2044 CONECT 1994 1993 1995 2033 2043 CONECT 1995 1994 1996 1997 CONECT 1996 1995 CONECT 1997 1995 1998 2025 CONECT 1998 1997 1999 2023 2032 CONECT 1999 1998 2000 2001 CONECT 2000 1999 CONECT 2001 1999 2002 2022 CONECT 2002 2001 2003 2006 2021 CONECT 2003 2002 2004 2005 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2002 2007 2019 2020 CONECT 2007 2006 2008 2012 CONECT 2008 2007 2009 2018 CONECT 2009 2008 2010 2017 CONECT 2010 2009 2011 2015 CONECT 2011 2010 2012 2014 CONECT 2012 2007 2011 2013 CONECT 2013 2012 CONECT 2014 2011 CONECT 2015 2010 2016 CONECT 2016 2015 CONECT 2017 2009 CONECT 2018 2008 CONECT 2019 2006 CONECT 2020 2006 CONECT 2021 2002 CONECT 2022 2001 CONECT 2023 1998 2024 2030 2031 CONECT 2024 2023 2025 2028 2029 CONECT 2025 1997 2024 2026 2027 CONECT 2026 2025 CONECT 2027 2025 CONECT 2028 2024 CONECT 2029 2024 CONECT 2030 2023 CONECT 2031 2023 CONECT 2032 1998 CONECT 2033 1994 2034 2038 2042 CONECT 2034 2033 2035 2036 2037 CONECT 2035 2034 CONECT 2036 2034 CONECT 2037 2034 CONECT 2038 2033 2039 2040 2041 CONECT 2039 2038 CONECT 2040 2038 CONECT 2041 2038 CONECT 2042 2033 CONECT 2043 1994 CONECT 2044 1993 CONECT 2045 1990 2046 2048 2049 CONECT 2046 2045 2047 CONECT 2047 2046 CONECT 2048 2045 CONECT 2049 2045 CONECT 2050 1990 CONECT 2051 1989 CONECT 2052 1986 2053 2056 2057 CONECT 2053 2052 2054 2055 CONECT 2054 2053 CONECT 2055 2053 CONECT 2056 2052 CONECT 2057 2052 CONECT 2058 1986 CONECT 2059 1985 CONECT 2060 1982 2061 2067 2068 CONECT 2061 2060 2062 2065 2066 CONECT 2062 1981 2061 2063 2064 CONECT 2063 2062 CONECT 2064 2062 CONECT 2065 2061 CONECT 2066 2061 CONECT 2067 2060 CONECT 2068 2060 CONECT 2069 1982 CONECT 2070 1978 2071 2083 2084 CONECT 2071 2070 2072 2076 CONECT 2072 2071 2073 2082 CONECT 2073 2072 2074 2081 CONECT 2074 2073 2075 2079 CONECT 2075 2074 2076 2078 CONECT 2076 2071 2075 2077 CONECT 2077 2076 CONECT 2078 2075 CONECT 2079 2074 2080 CONECT 2080 2079 CONECT 2081 2073 CONECT 2082 2072 CONECT 2083 2070 CONECT 2084 2070 CONECT 2085 1978 CONECT 2086 1977 CONECT 2087 1974 2088 2089 2090 CONECT 2088 2087 CONECT 2089 2087 CONECT 2090 2087 CONECT 2091 1974 CONECT 2092 1973 CONECT 2093 1970 2094 2104 2105 CONECT 2094 2093 2095 2099 2103 CONECT 2095 2094 2096 2097 2098 CONECT 2096 2095 CONECT 2097 2095 CONECT 2098 2095 CONECT 2099 2094 2100 2101 2102 CONECT 2100 2099 CONECT 2101 2099 CONECT 2102 2099 CONECT 2103 2094 CONECT 2104 2093 CONECT 2105 2093 CONECT 2106 1970 CONECT 2107 1969 CONECT 2108 1966 2109 2124 2125 CONECT 2109 2108 2110 2113 CONECT 2110 2109 2111 2123 CONECT 2111 2110 2112 2122 CONECT 2112 2111 2113 2117 CONECT 2113 2109 2112 2114 CONECT 2114 2113 2115 2121 CONECT 2115 2114 2116 2120 CONECT 2116 2115 2117 2119 CONECT 2117 2112 2116 2118 CONECT 2118 2117 CONECT 2119 2116 CONECT 2120 2115 CONECT 2121 2114 CONECT 2122 2111 CONECT 2123 2110 CONECT 2124 2108 CONECT 2125 2108 CONECT 2126 1966 CONECT 2127 1965 CONECT 2128 1962 CONECT 2129 1962 CONECT 2130 1961 CONECT 2131 1961 CONECT 2132 1960 CONECT 2133 1960 CONECT 2134 1960 MASTER 0 0 0 0 0 0 0 0 2132 2 187 14 END
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Related entries of code: 6nk0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6nk1
RCSB PDB
PDBbind
14aa, >6NK1_2|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
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PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
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4a4c
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PDBbind
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4b8p
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PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
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4cc2
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PDBbind
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4cc3
RCSB PDB
PDBbind
12-mer
4cc7
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4dow
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PDBbind
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4gao
RCSB PDB
PDBbind
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4gq6
RCSB PDB
PDBbind
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4gw1
RCSB PDB
PDBbind
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4gw5
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PDBbind
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4jfx
RCSB PDB
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PDBbind
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4jg0
RCSB PDB
PDBbind
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PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
6nk0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ephrin type-A receptor 2, EphA2 LBD
Ligand Name
12-mer
EC.Number
E.C.2.7.10.1
Resolution
1.53(Å)
Affinity (Kd/Ki/IC50)
IC50=410nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Biol.Chem. Vol. 294: pp. 8791-8805
Ligand Properties
Formula
C
6
3
H
8
5
N
1
2
O
1
7
Molecular Weight
1282.420
Exact Mass
1281.620
No. of atoms
177
No. of bonds
182
Polar Surface Area
452.14
LOGP Value
1.46 (
Computed with XLOGP3
)
1.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 6
Canonical SMILES
[NH3+]CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C(C)C)CO)CC(=O)O)Cc1ccc(cc1)O)C)CC(C)C)Cc1c[nH]c2c1cccc2
InChI String
InChI=1S/C63H84N12O17/c1-33(2)26-43(68-56(84)44(67-51(79)22-23-64)29-38-31-65-42-11-7-6-10-41(38)42)55(83)66-35(5)54(82)70-46(27-36-14-18-39(77)19-15-36)61(89)74-24-8-12-49(74)59(87)69-45(30-52(80)81)57(85)72-48(32-76)58(86)73-53(34(3)4)62(90)75-25-9-13-50(75)60(88)71-47(63(91)92)28-37-16-20-40(78)21-17-37/h6-7,10-11,14-21,31,33-35,43-50,53,65,76-78H,8-9,12-13,22-30,32,64H2,1-5H3,(H,66,83)(H,67,79)(H,68,84)(H,69,87)(H,70,82)(H,71,88)(H,72,85)(H,73,86)(H,80,81)(H,91,92)/p+1/t35-,43-,44-,45-,46-,47-,48-,49-,50-,53-/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):
P29317
Entrez Gene ID
NCBI Entrez Gene ID:
1969
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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