Browse entries in the PDBbind-CN Database
HEADER 4PSB_COMPLEX COMPND 4PSB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 152 MET VAL LYS GLU PHE ASN THR GLN THR GLU LEU SER VAL SEQRES 2 A 152 ARG LEU GLU ALA LEU TRP ALA VAL LEU SER LYS ASP PHE SEQRES 3 A 152 ILE THR VAL VAL PRO LYS VAL LEU PRO HIS ILE VAL LYS SEQRES 4 A 152 ASP VAL GLN LEU ILE GLU GLY ASP GLY GLY VAL GLY THR SEQRES 5 A 152 ILE LEU ILE PHE ASN PHE LEU PRO GLU VAL SER PRO SER SEQRES 6 A 152 TYR GLN ARG GLU GLU ILE THR GLU PHE ASP GLU SER SER SEQRES 7 A 152 HIS GLU ILE GLY LEU GLN VAL ILE GLU GLY GLY TYR LEU SEQRES 8 A 152 SER GLN GLY LEU SER TYR TYR LYS THR THR PHE LYS LEU SEQRES 9 A 152 SER GLU ILE GLU GLU ASP LYS THR LEU VAL ASN VAL LYS SEQRES 10 A 152 ILE SER TYR ASP HIS ASP SER ASP ILE GLU GLU LYS VAL SEQRES 11 A 152 THR PRO THR LYS THR SER GLN SER THR LEU MET TYR LEU SEQRES 12 A 152 ARG ARG LEU GLU ARG TYR LEU SER ASN HET GA A 3 46 ATOM 1 N MET A 1 -4.285 -12.112 29.696 1.00 31.10 N ATOM 2 CA MET A 1 -3.988 -12.665 28.340 1.00 29.76 C ATOM 3 C MET A 1 -3.422 -11.609 27.404 1.00 23.31 C ATOM 4 O MET A 1 -3.777 -10.421 27.469 1.00 22.42 O ATOM 5 CB MET A 1 -5.243 -13.229 27.657 1.00 34.21 C ATOM 6 CG MET A 1 -5.914 -14.369 28.385 1.00 39.20 C ATOM 7 SD MET A 1 -4.906 -15.867 28.313 1.00 44.69 S ATOM 8 CE MET A 1 -5.061 -16.306 26.555 1.00 43.94 C ATOM 9 HN3 MET A 1 -4.983 -11.345 29.611 1.00 0.00 H ATOM 10 HN2 MET A 1 -3.410 -11.741 30.117 1.00 0.00 H ATOM 11 HN1 MET A 1 -4.669 -12.866 30.300 1.00 0.00 H ATOM 12 N VAL A 2 -2.583 -12.066 26.478 1.00 20.30 N ATOM 13 CA VAL A 2 -1.923 -11.185 25.550 1.00 18.08 C ATOM 14 C VAL A 2 -2.960 -10.798 24.503 1.00 17.82 C ATOM 15 O VAL A 2 -3.700 -11.632 24.001 1.00 19.25 O ATOM 16 CB VAL A 2 -0.719 -11.865 24.874 1.00 18.44 C ATOM 17 CG1 VAL A 2 -0.111 -10.998 23.784 1.00 18.60 C ATOM 18 CG2 VAL A 2 0.390 -12.097 25.887 1.00 19.36 C ATOM 19 H VAL A 2 -2.399 -13.088 26.423 1.00 0.00 H ATOM 20 N LYS A 3 -3.025 -9.492 24.272 1.00 15.61 N ATOM 21 CA LYS A 3 -3.846 -8.869 23.246 1.00 14.90 C ATOM 22 C LYS A 3 -2.977 -8.390 22.097 1.00 14.50 C ATOM 23 O LYS A 3 -1.747 -8.132 22.327 1.00 15.76 O ATOM 24 CB LYS A 3 -4.477 -7.583 23.816 1.00 18.74 C ATOM 25 CG LYS A 3 -5.875 -7.716 24.532 1.00 20.71 C ATOM 26 CD LYS A 3 -5.807 -8.351 25.826 1.00 20.78 C ATOM 27 CE LYS A 3 -4.964 -7.587 26.826 1.00 20.71 C ATOM 28 NZ LYS A 3 -5.165 -8.009 28.203 1.00 20.89 N ATOM 29 HZ1 LYS A 3 -6.161 -7.868 28.465 1.00 0.00 H ATOM 30 HZ2 LYS A 3 -4.920 -9.015 28.295 1.00 0.00 H ATOM 31 HZ3 LYS A 3 -4.557 -7.444 28.830 1.00 0.00 H ATOM 32 H LYS A 3 -2.446 -8.868 24.869 1.00 0.00 H ATOM 33 N GLU A 4 -3.556 -8.225 20.922 1.00 14.73 N ATOM 34 CA GLU A 4 -2.899 -7.700 19.743 1.00 15.94 C ATOM 35 C GLU A 4 -3.580 -6.453 19.227 1.00 16.87 C ATOM 36 O GLU A 4 -4.768 -6.442 19.062 1.00 19.14 O ATOM 37 CB GLU A 4 -2.802 -8.759 18.643 1.00 18.08 C ATOM 38 CG GLU A 4 -1.910 -9.912 18.980 1.00 19.24 C ATOM 39 CD GLU A 4 -1.859 -10.977 17.926 1.00 22.70 C ATOM 40 OE1 GLU A 4 -2.772 -11.042 17.118 1.00 26.73 O ATOM 41 OE2 GLU A 4 -0.916 -11.754 17.917 1.00 21.56 O ATOM 42 H GLU A 4 -4.558 -8.492 20.837 1.00 0.00 H ATOM 43 N PHE A 5 -2.812 -5.413 19.008 1.00 16.80 N ATOM 44 CA PHE A 5 -3.208 -4.131 18.510 1.00 16.84 C ATOM 45 C PHE A 5 -2.488 -3.928 17.181 1.00 15.20 C ATOM 46 O PHE A 5 -1.301 -4.040 17.103 1.00 17.81 O ATOM 47 CB PHE A 5 -2.780 -3.077 19.539 1.00 18.36 C ATOM 48 CG PHE A 5 -3.062 -1.662 19.159 1.00 17.83 C ATOM 49 CD1 PHE A 5 -2.225 -0.980 18.324 1.00 20.63 C ATOM 50 CD2 PHE A 5 -4.135 -0.983 19.690 1.00 20.28 C ATOM 51 CE1 PHE A 5 -2.453 0.316 18.012 1.00 21.03 C ATOM 52 CE2 PHE A 5 -4.349 0.325 19.380 1.00 19.92 C ATOM 53 CZ PHE A 5 -3.517 0.973 18.524 1.00 21.32 C ATOM 54 H PHE A 5 -1.801 -5.533 19.220 1.00 0.00 H ATOM 55 N ASN A 6 -3.218 -3.639 16.143 1.00 17.24 N ATOM 56 CA ASN A 6 -2.675 -3.446 14.819 1.00 19.15 C ATOM 57 C ASN A 6 -2.843 -2.044 14.307 1.00 19.26 C ATOM 58 O ASN A 6 -3.909 -1.404 14.485 1.00 20.79 O ATOM 59 CB ASN A 6 -3.297 -4.454 13.891 1.00 21.77 C ATOM 60 CG ASN A 6 -2.982 -5.863 14.291 1.00 23.27 C ATOM 61 OD1 ASN A 6 -1.876 -6.344 14.024 1.00 25.29 O ATOM 62 ND2 ASN A 6 -3.916 -6.545 14.944 1.00 23.99 N ATOM 63 HD22 ASN A 6 -4.835 -6.103 15.149 1.00 0.00 H ATOM 64 HD21 ASN A 6 -3.729 -7.521 15.250 1.00 0.00 H ATOM 65 H ASN A 6 -4.245 -3.542 16.274 1.00 0.00 H ATOM 66 N THR A 7 -1.801 -1.524 13.680 1.00 19.58 N ATOM 67 CA THR A 7 -1.863 -0.297 13.002 1.00 21.88 C ATOM 68 C THR A 7 -0.941 -0.309 11.806 1.00 20.37 C ATOM 69 O THR A 7 -0.338 -1.317 11.460 1.00 20.04 O ATOM 70 CB THR A 7 -1.628 0.915 13.921 1.00 23.44 C ATOM 71 OG1 THR A 7 -1.976 2.110 13.206 1.00 28.54 O ATOM 72 CG2 THR A 7 -0.215 0.995 14.419 1.00 21.69 C ATOM 73 HG1 THR A 7 -2.929 2.069 12.941 1.00 0.00 H ATOM 74 H THR A 7 -0.901 -2.045 13.690 1.00 0.00 H ATOM 75 N GLN A 8 -0.901 0.786 11.097 1.00 21.63 N ATOM 76 CA GLN A 8 -0.020 0.789 9.948 1.00 25.25 C ATOM 77 C GLN A 8 0.373 2.189 9.545 1.00 26.26 C ATOM 78 O GLN A 8 -0.203 3.182 10.008 1.00 28.07 O ATOM 79 CB GLN A 8 -0.555 -0.125 8.820 1.00 27.19 C ATOM 80 CG GLN A 8 -1.864 0.170 8.224 1.00 28.52 C ATOM 81 CD GLN A 8 -3.083 0.087 9.170 1.00 31.97 C ATOM 82 OE1 GLN A 8 -3.427 -0.980 9.722 1.00 32.45 O ATOM 83 NE2 GLN A 8 -3.737 1.230 9.360 1.00 32.17 N ATOM 84 HE22 GLN A 8 -3.419 2.097 8.882 1.00 0.00 H ATOM 85 HE21 GLN A 8 -4.567 1.256 9.987 1.00 0.00 H ATOM 86 H GLN A 8 -1.475 1.617 11.346 1.00 0.00 H ATOM 87 N THR A 9 1.386 2.248 8.693 1.00 24.73 N ATOM 88 CA THR A 9 1.797 3.491 8.072 1.00 26.65 C ATOM 89 C THR A 9 2.397 3.140 6.721 1.00 27.04 C ATOM 90 O THR A 9 2.833 2.017 6.494 1.00 25.45 O ATOM 91 CB THR A 9 2.803 4.300 8.943 1.00 30.05 C ATOM 92 OG1 THR A 9 3.020 5.581 8.366 1.00 33.68 O ATOM 93 CG2 THR A 9 4.112 3.612 9.084 1.00 29.73 C ATOM 94 HG1 THR A 9 3.660 6.089 8.925 1.00 0.00 H ATOM 95 H THR A 9 1.902 1.375 8.463 1.00 0.00 H ATOM 96 N GLU A 10 2.369 4.097 5.822 1.00 28.80 N ATOM 97 CA GLU A 10 3.013 3.923 4.542 1.00 29.83 C ATOM 98 C GLU A 10 4.094 4.991 4.408 1.00 29.26 C ATOM 99 O GLU A 10 3.865 6.163 4.708 1.00 30.93 O ATOM 100 CB GLU A 10 1.997 3.871 3.392 1.00 34.14 C ATOM 101 CG GLU A 10 0.820 4.802 3.412 1.00 39.61 C ATOM 102 CD GLU A 10 -0.225 4.610 4.555 1.00 42.38 C ATOM 103 OE1 GLU A 10 -0.898 5.619 4.844 1.00 44.73 O ATOM 104 OE2 GLU A 10 -0.396 3.506 5.161 1.00 41.80 O ATOM 105 H GLU A 10 1.878 4.989 6.034 1.00 0.00 H ATOM 106 N LEU A 11 5.290 4.542 4.028 1.00 27.61 N ATOM 107 CA LEU A 11 6.482 5.362 4.009 1.00 26.71 C ATOM 108 C LEU A 11 6.997 5.506 2.585 1.00 26.32 C ATOM 109 O LEU A 11 6.956 4.570 1.817 1.00 27.59 O ATOM 110 CB LEU A 11 7.548 4.683 4.858 1.00 26.83 C ATOM 111 CG LEU A 11 7.208 4.503 6.341 1.00 25.29 C ATOM 112 CD1 LEU A 11 8.478 3.963 7.052 1.00 26.67 C ATOM 113 CD2 LEU A 11 6.712 5.799 6.989 1.00 25.49 C ATOM 114 H LEU A 11 5.371 3.549 3.729 1.00 0.00 H ATOM 115 N SER A 12 7.508 6.678 2.256 1.00 27.46 N ATOM 116 CA SER A 12 8.100 6.896 0.938 1.00 29.71 C ATOM 117 C SER A 12 9.532 6.415 0.944 1.00 27.98 C ATOM 118 O SER A 12 10.478 7.193 0.832 1.00 31.17 O ATOM 119 CB SER A 12 8.031 8.375 0.555 1.00 33.85 C ATOM 120 OG SER A 12 6.694 8.716 0.200 1.00 37.68 O ATOM 121 HG SER A 12 6.653 9.674 -0.047 1.00 0.00 H ATOM 122 H SER A 12 7.489 7.457 2.945 1.00 0.00 H ATOM 123 N VAL A 13 9.682 5.110 1.037 1.00 26.17 N ATOM 124 CA VAL A 13 10.963 4.446 1.058 1.00 26.06 C ATOM 125 C VAL A 13 10.903 3.154 0.282 1.00 24.64 C ATOM 126 O VAL A 13 9.816 2.628 0.106 1.00 22.92 O ATOM 127 CB VAL A 13 11.327 4.080 2.459 1.00 28.17 C ATOM 128 CG1 VAL A 13 11.482 5.337 3.279 1.00 29.16 C ATOM 129 CG2 VAL A 13 10.296 3.166 3.051 1.00 27.79 C ATOM 130 H VAL A 13 8.826 4.523 1.099 1.00 0.00 H ATOM 131 N ARG A 14 12.039 2.612 -0.147 1.00 23.80 N ATOM 132 CA ARG A 14 12.107 1.338 -0.867 1.00 23.52 C ATOM 133 C ARG A 14 12.078 0.135 0.088 1.00 22.20 C ATOM 134 O ARG A 14 12.685 0.159 1.164 1.00 21.75 O ATOM 135 CB ARG A 14 13.352 1.269 -1.762 1.00 22.69 C ATOM 136 CG ARG A 14 13.272 2.298 -2.849 1.00 25.65 C ATOM 137 CD ARG A 14 14.513 2.587 -3.689 1.00 29.64 C ATOM 138 NE ARG A 14 14.108 3.493 -4.764 1.00 32.30 N ATOM 139 CZ ARG A 14 14.068 4.823 -4.648 1.00 33.22 C ATOM 140 NH1 ARG A 14 14.471 5.419 -3.533 1.00 33.54 N ATOM 141 NH2 ARG A 14 13.684 5.571 -5.659 1.00 33.87 N ATOM 142 HE ARG A 14 13.834 3.075 -5.676 1.00 0.00 H ATOM 143 HH12 ARG A 14 14.435 6.455 -3.455 1.00 0.00 H ATOM 144 HH11 ARG A 14 14.823 4.850 -2.737 1.00 0.00 H ATOM 145 HH22 ARG A 14 13.656 6.606 -5.559 1.00 0.00 H ATOM 146 HH21 ARG A 14 13.408 5.128 -6.558 1.00 0.00 H ATOM 147 H ARG A 14 12.927 3.120 0.039 1.00 0.00 H ATOM 148 N LEU A 15 11.414 -0.941 -0.300 1.00 22.74 N ATOM 149 CA LEU A 15 11.109 -1.999 0.646 1.00 22.85 C ATOM 150 C LEU A 15 12.392 -2.588 1.231 1.00 23.14 C ATOM 151 O LEU A 15 12.515 -2.730 2.396 1.00 23.35 O ATOM 152 CB LEU A 15 10.304 -3.093 -0.055 1.00 24.59 C ATOM 153 CG LEU A 15 10.207 -4.495 0.540 1.00 25.73 C ATOM 154 CD1 LEU A 15 9.301 -4.527 1.676 1.00 24.68 C ATOM 155 CD2 LEU A 15 9.656 -5.421 -0.522 1.00 26.44 C ATOM 156 H LEU A 15 11.108 -1.030 -1.290 1.00 0.00 H ATOM 157 N GLU A 16 13.387 -2.875 0.388 1.00 23.67 N ATOM 158 CA GLU A 16 14.554 -3.592 0.887 1.00 27.06 C ATOM 159 C GLU A 16 15.467 -2.638 1.659 1.00 27.77 C ATOM 160 O GLU A 16 16.160 -3.060 2.571 1.00 29.73 O ATOM 161 CB GLU A 16 15.292 -4.289 -0.295 1.00 29.33 C ATOM 162 CG GLU A 16 14.561 -5.451 -0.940 1.00 34.34 C ATOM 163 CD GLU A 16 14.401 -6.651 -0.013 1.00 37.81 C ATOM 164 OE1 GLU A 16 14.948 -6.652 1.116 1.00 39.40 O ATOM 165 OE2 GLU A 16 13.693 -7.597 -0.403 1.00 39.51 O ATOM 166 H GLU A 16 13.330 -2.591 -0.611 1.00 0.00 H ATOM 167 N ALA A 17 15.374 -1.336 1.421 1.00 28.35 N ATOM 168 CA ALA A 17 16.163 -0.394 2.214 1.00 29.49 C ATOM 169 C ALA A 17 15.533 -0.371 3.592 1.00 26.97 C ATOM 170 O ALA A 17 16.198 -0.443 4.609 1.00 27.71 O ATOM 171 CB ALA A 17 16.160 0.996 1.612 1.00 29.39 C ATOM 172 H ALA A 17 14.742 -0.986 0.673 1.00 0.00 H ATOM 173 N LEU A 18 14.208 -0.289 3.642 1.00 25.20 N ATOM 174 CA LEU A 18 13.551 -0.279 4.944 1.00 23.97 C ATOM 175 C LEU A 18 13.717 -1.588 5.697 1.00 23.32 C ATOM 176 O LEU A 18 13.904 -1.569 6.923 1.00 23.12 O ATOM 177 CB LEU A 18 12.041 0.017 4.767 1.00 24.06 C ATOM 178 CG LEU A 18 11.308 0.217 6.070 1.00 23.40 C ATOM 179 CD1 LEU A 18 11.836 1.368 6.858 1.00 25.04 C ATOM 180 CD2 LEU A 18 9.800 0.459 5.758 1.00 23.52 C ATOM 181 H LEU A 18 13.648 -0.233 2.767 1.00 0.00 H ATOM 182 N TRP A 19 13.659 -2.715 5.011 1.00 23.49 N ATOM 183 CA TRP A 19 13.875 -4.003 5.640 1.00 24.16 C ATOM 184 C TRP A 19 15.274 -4.154 6.239 1.00 25.09 C ATOM 185 O TRP A 19 15.444 -4.750 7.306 1.00 25.29 O ATOM 186 CB TRP A 19 13.654 -5.111 4.646 1.00 23.67 C ATOM 187 CG TRP A 19 13.947 -6.451 5.217 1.00 23.02 C ATOM 188 CD1 TRP A 19 14.940 -7.274 4.835 1.00 24.76 C ATOM 189 CD2 TRP A 19 13.320 -7.090 6.337 1.00 22.86 C ATOM 190 NE1 TRP A 19 14.939 -8.425 5.569 1.00 24.81 N ATOM 191 CE2 TRP A 19 13.948 -8.334 6.515 1.00 23.62 C ATOM 192 CE3 TRP A 19 12.226 -6.777 7.148 1.00 21.84 C ATOM 193 CZ2 TRP A 19 13.543 -9.243 7.473 1.00 25.54 C ATOM 194 CZ3 TRP A 19 11.849 -7.664 8.097 1.00 22.23 C ATOM 195 CH2 TRP A 19 12.469 -8.889 8.263 1.00 25.27 C ATOM 196 HE1 TRP A 19 15.580 -9.233 5.435 1.00 0.00 H ATOM 197 H TRP A 19 13.453 -2.677 3.992 1.00 0.00 H ATOM 198 N ALA A 20 16.259 -3.587 5.552 1.00 25.67 N ATOM 199 CA ALA A 20 17.620 -3.622 6.056 1.00 25.69 C ATOM 200 C ALA A 20 17.685 -2.886 7.390 1.00 27.54 C ATOM 201 O ALA A 20 18.314 -3.382 8.314 1.00 27.38 O ATOM 202 CB ALA A 20 18.597 -3.040 5.035 1.00 27.81 C ATOM 203 H ALA A 20 16.054 -3.115 4.648 1.00 0.00 H ATOM 204 N VAL A 21 17.211 -1.684 7.456 1.00 26.12 N ATOM 205 CA VAL A 21 17.241 -0.971 8.676 1.00 28.43 C ATOM 206 C VAL A 21 16.399 -1.610 9.764 1.00 27.98 C ATOM 207 O VAL A 21 16.900 -1.850 10.809 1.00 29.86 O ATOM 208 CB VAL A 21 17.066 0.532 8.524 1.00 29.84 C ATOM 209 CG1 VAL A 21 17.877 1.012 7.372 1.00 30.44 C ATOM 210 CG2 VAL A 21 15.656 0.967 8.289 1.00 30.57 C ATOM 211 H VAL A 21 16.806 -1.240 6.607 1.00 0.00 H ATOM 212 N LEU A 22 15.172 -1.985 9.509 1.00 24.81 N ATOM 213 CA LEU A 22 14.343 -2.503 10.581 1.00 21.39 C ATOM 214 C LEU A 22 14.800 -3.807 11.136 1.00 21.00 C ATOM 215 O LEU A 22 14.589 -4.070 12.312 1.00 22.26 O ATOM 216 CB LEU A 22 12.912 -2.661 10.103 1.00 19.84 C ATOM 217 CG LEU A 22 12.226 -1.321 10.027 1.00 20.97 C ATOM 218 CD1 LEU A 22 10.871 -1.679 9.423 1.00 21.34 C ATOM 219 CD2 LEU A 22 12.065 -0.666 11.324 1.00 21.40 C ATOM 220 H LEU A 22 14.793 -1.912 8.543 1.00 0.00 H ATOM 221 N SER A 23 15.533 -4.583 10.325 1.00 21.48 N ATOM 222 CA SER A 23 15.773 -5.976 10.664 1.00 23.40 C ATOM 223 C SER A 23 17.186 -6.215 11.043 1.00 24.59 C ATOM 224 O SER A 23 17.499 -7.231 11.594 1.00 26.77 O ATOM 225 CB SER A 23 15.361 -6.945 9.537 1.00 24.46 C ATOM 226 OG SER A 23 16.272 -6.994 8.466 1.00 23.66 O ATOM 227 HG SER A 23 16.355 -6.093 8.063 1.00 0.00 H ATOM 228 H SER A 23 15.931 -4.187 9.450 1.00 0.00 H ATOM 229 N LYS A 24 18.033 -5.256 10.769 1.00 23.49 N ATOM 230 CA LYS A 24 19.468 -5.495 10.938 1.00 23.21 C ATOM 231 C LYS A 24 20.269 -4.271 11.354 1.00 26.93 C ATOM 232 O LYS A 24 21.028 -4.284 12.343 1.00 28.27 O ATOM 233 CB LYS A 24 19.991 -6.008 9.610 1.00 24.69 C ATOM 234 CG LYS A 24 21.455 -6.471 9.635 1.00 28.14 C ATOM 235 CD LYS A 24 22.007 -6.925 8.266 1.00 29.37 C ATOM 236 CE LYS A 24 21.039 -7.752 7.418 1.00 30.14 C ATOM 237 NZ LYS A 24 20.590 -9.100 7.966 1.00 28.87 N ATOM 238 HZ1 LYS A 24 21.421 -9.710 8.106 1.00 0.00 H ATOM 239 HZ2 LYS A 24 20.105 -8.959 8.875 1.00 0.00 H ATOM 240 HZ3 LYS A 24 19.939 -9.548 7.290 1.00 0.00 H ATOM 241 H LYS A 24 17.690 -4.333 10.434 1.00 0.00 H ATOM 242 N ASP A 25 20.163 -3.212 10.590 1.00 28.07 N ATOM 243 CA ASP A 25 21.057 -2.095 10.753 1.00 26.46 C ATOM 244 C ASP A 25 20.583 -1.181 11.846 1.00 23.82 C ATOM 245 O ASP A 25 21.141 -0.110 12.105 1.00 21.31 O ATOM 246 CB ASP A 25 21.189 -1.370 9.420 1.00 30.11 C ATOM 247 CG ASP A 25 22.125 -2.095 8.448 1.00 35.19 C ATOM 248 OD1 ASP A 25 23.097 -2.747 8.932 1.00 37.79 O ATOM 249 OD2 ASP A 25 21.886 -2.004 7.211 1.00 36.13 O ATOM 250 H ASP A 25 19.425 -3.178 9.858 1.00 0.00 H ATOM 251 N PHE A 26 19.529 -1.614 12.514 1.00 25.78 N ATOM 252 CA PHE A 26 18.902 -0.746 13.496 1.00 26.11 C ATOM 253 C PHE A 26 19.930 -0.527 14.621 1.00 25.11 C ATOM 254 O PHE A 26 19.822 0.462 15.370 1.00 25.98 O ATOM 255 CB PHE A 26 17.570 -1.299 13.976 1.00 25.69 C ATOM 256 CG PHE A 26 17.674 -2.606 14.656 1.00 25.32 C ATOM 257 CD1 PHE A 26 17.864 -2.652 16.000 1.00 25.46 C ATOM 258 CD2 PHE A 26 17.562 -3.785 13.954 1.00 26.74 C ATOM 259 CE1 PHE A 26 17.927 -3.853 16.634 1.00 28.29 C ATOM 260 CE2 PHE A 26 17.617 -5.004 14.578 1.00 26.52 C ATOM 261 CZ PHE A 26 17.807 -5.041 15.923 1.00 28.95 C ATOM 262 H PHE A 26 19.152 -2.567 12.339 1.00 0.00 H ATOM 263 N ILE A 27 20.935 -1.400 14.720 1.00 26.11 N ATOM 264 CA ILE A 27 21.967 -1.205 15.741 1.00 31.53 C ATOM 265 C ILE A 27 22.662 0.142 15.615 1.00 30.87 C ATOM 266 O ILE A 27 22.861 0.775 16.616 1.00 33.15 O ATOM 267 CB ILE A 27 23.123 -2.234 15.676 1.00 37.69 C ATOM 268 CG1 ILE A 27 22.601 -3.669 15.541 1.00 40.95 C ATOM 269 CG2 ILE A 27 24.072 -2.060 16.888 1.00 39.34 C ATOM 270 CD1 ILE A 27 21.318 -3.996 16.291 1.00 42.78 C ATOM 271 H ILE A 27 20.985 -2.215 14.075 1.00 0.00 H ATOM 272 N THR A 28 23.035 0.568 14.396 1.00 29.13 N ATOM 273 CA THR A 28 23.663 1.892 14.171 1.00 27.05 C ATOM 274 C THR A 28 22.639 2.999 13.843 1.00 23.31 C ATOM 275 O THR A 28 22.867 4.202 14.089 1.00 23.46 O ATOM 276 CB THR A 28 24.687 1.845 13.014 1.00 29.60 C ATOM 277 OG1 THR A 28 24.071 1.373 11.822 1.00 29.64 O ATOM 278 CG2 THR A 28 25.830 0.909 13.338 1.00 31.39 C ATOM 279 HG1 THR A 28 23.330 1.980 11.572 1.00 0.00 H ATOM 280 H THR A 28 22.877 -0.055 13.579 1.00 0.00 H ATOM 281 N VAL A 29 21.523 2.596 13.254 1.00 21.16 N ATOM 282 CA VAL A 29 20.601 3.581 12.755 1.00 20.06 C ATOM 283 C VAL A 29 19.734 4.126 13.870 1.00 18.78 C ATOM 284 O VAL A 29 19.417 5.305 13.865 1.00 17.03 O ATOM 285 CB VAL A 29 19.759 3.012 11.611 1.00 21.54 C ATOM 286 CG1 VAL A 29 18.738 4.012 11.141 1.00 22.73 C ATOM 287 CG2 VAL A 29 20.653 2.582 10.439 1.00 23.18 C ATOM 288 H VAL A 29 21.316 1.582 13.154 1.00 0.00 H ATOM 289 N VAL A 30 19.385 3.310 14.845 1.00 18.51 N ATOM 290 CA VAL A 30 18.476 3.783 15.877 1.00 18.94 C ATOM 291 C VAL A 30 19.008 5.041 16.636 1.00 16.34 C ATOM 292 O VAL A 30 18.288 6.033 16.812 1.00 17.36 O ATOM 293 CB VAL A 30 18.045 2.668 16.847 1.00 19.43 C ATOM 294 CG1 VAL A 30 17.331 3.247 18.074 1.00 18.78 C ATOM 295 CG2 VAL A 30 17.067 1.760 16.134 1.00 20.63 C ATOM 296 H VAL A 30 19.756 2.339 14.876 1.00 0.00 H ATOM 297 N PRO A 31 20.292 5.050 17.052 1.00 17.00 N ATOM 298 CA PRO A 31 20.744 6.275 17.729 1.00 17.70 C ATOM 299 C PRO A 31 20.816 7.486 16.809 1.00 19.82 C ATOM 300 O PRO A 31 20.737 8.645 17.274 1.00 19.30 O ATOM 301 CB PRO A 31 22.156 5.879 18.231 1.00 18.01 C ATOM 302 CG PRO A 31 22.076 4.450 18.339 1.00 17.33 C ATOM 303 CD PRO A 31 21.322 4.010 17.136 1.00 18.44 C ATOM 304 N LYS A 32 20.975 7.233 15.508 1.00 17.84 N ATOM 305 CA LYS A 32 21.044 8.338 14.582 1.00 18.80 C ATOM 306 C LYS A 32 19.652 8.906 14.322 1.00 19.70 C ATOM 307 O LYS A 32 19.513 10.084 14.183 1.00 22.45 O ATOM 308 CB LYS A 32 21.706 7.940 13.283 1.00 21.52 C ATOM 309 CG LYS A 32 23.168 7.733 13.441 1.00 27.73 C ATOM 310 CD LYS A 32 23.726 7.240 12.108 1.00 32.72 C ATOM 311 CE LYS A 32 25.108 6.663 12.291 1.00 35.42 C ATOM 312 NZ LYS A 32 25.960 7.708 12.917 1.00 38.27 N ATOM 313 HZ1 LYS A 32 25.997 8.542 12.296 1.00 0.00 H ATOM 314 HZ2 LYS A 32 25.557 7.977 13.837 1.00 0.00 H ATOM 315 HZ3 LYS A 32 26.921 7.334 13.054 1.00 0.00 H ATOM 316 H LYS A 32 21.048 6.253 15.166 1.00 0.00 H ATOM 317 N VAL A 33 18.617 8.075 14.315 1.00 19.08 N ATOM 318 CA VAL A 33 17.264 8.600 13.988 1.00 18.41 C ATOM 319 C VAL A 33 16.476 9.001 15.229 1.00 18.05 C ATOM 320 O VAL A 33 15.552 9.839 15.129 1.00 19.81 O ATOM 321 CB VAL A 33 16.403 7.707 13.070 1.00 22.18 C ATOM 322 CG1 VAL A 33 17.215 7.253 11.871 1.00 20.86 C ATOM 323 CG2 VAL A 33 15.901 6.571 13.775 1.00 23.44 C ATOM 324 H VAL A 33 18.751 7.068 14.536 1.00 0.00 H ATOM 325 N LEU A 34 16.869 8.480 16.393 1.00 17.42 N ATOM 326 CA LEU A 34 16.245 8.844 17.691 1.00 17.31 C ATOM 327 C LEU A 34 17.315 9.384 18.662 1.00 16.65 C ATOM 328 O LEU A 34 17.465 8.910 19.786 1.00 17.09 O ATOM 329 CB LEU A 34 15.587 7.628 18.315 1.00 17.25 C ATOM 330 CG LEU A 34 14.356 7.088 17.548 1.00 19.48 C ATOM 331 CD1 LEU A 34 13.813 5.904 18.271 1.00 20.61 C ATOM 332 CD2 LEU A 34 13.292 8.113 17.271 1.00 20.50 C ATOM 333 H LEU A 34 17.646 7.789 16.391 1.00 0.00 H ATOM 334 N PRO A 35 17.998 10.454 18.253 1.00 17.03 N ATOM 335 CA PRO A 35 19.166 10.860 19.047 1.00 17.69 C ATOM 336 C PRO A 35 18.782 11.548 20.352 1.00 17.16 C ATOM 337 O PRO A 35 19.589 11.698 21.249 1.00 17.23 O ATOM 338 CB PRO A 35 19.880 11.793 18.110 1.00 19.29 C ATOM 339 CG PRO A 35 18.755 12.322 17.218 1.00 17.96 C ATOM 340 CD PRO A 35 17.872 11.193 17.004 1.00 17.45 C ATOM 341 N HIS A 36 17.514 11.909 20.465 1.00 18.27 N ATOM 342 CA HIS A 36 16.962 12.557 21.660 1.00 17.81 C ATOM 343 C HIS A 36 16.395 11.531 22.631 1.00 17.10 C ATOM 344 O HIS A 36 15.889 11.952 23.717 1.00 19.29 O ATOM 345 CB HIS A 36 15.861 13.565 21.239 1.00 22.27 C ATOM 346 CG HIS A 36 14.710 12.948 20.474 1.00 23.55 C ATOM 347 ND1 HIS A 36 14.906 12.081 19.416 1.00 23.92 N ATOM 348 CD2 HIS A 36 13.369 13.056 20.625 1.00 25.44 C ATOM 349 CE1 HIS A 36 13.731 11.700 18.938 1.00 24.50 C ATOM 350 NE2 HIS A 36 12.786 12.276 19.661 1.00 25.95 N ATOM 351 H HIS A 36 16.876 11.724 19.665 1.00 0.00 H ATOM 352 N ILE A 37 16.577 10.232 22.325 1.00 18.53 N ATOM 353 CA ILE A 37 16.071 9.148 23.153 1.00 18.12 C ATOM 354 C ILE A 37 17.133 8.087 23.430 1.00 15.56 C ATOM 355 O ILE A 37 17.407 7.761 24.619 1.00 17.89 O ATOM 356 CB ILE A 37 14.770 8.493 22.552 1.00 17.98 C ATOM 357 CG1 ILE A 37 13.715 9.562 22.428 1.00 18.16 C ATOM 358 CG2 ILE A 37 14.297 7.326 23.418 1.00 18.88 C ATOM 359 CD1 ILE A 37 12.551 9.111 21.582 1.00 19.58 C ATOM 360 H ILE A 37 17.102 9.994 21.459 1.00 0.00 H ATOM 361 N VAL A 38 17.743 7.609 22.361 1.00 17.30 N ATOM 362 CA VAL A 38 18.641 6.452 22.407 1.00 18.09 C ATOM 363 C VAL A 38 20.109 6.828 22.302 1.00 18.83 C ATOM 364 O VAL A 38 20.553 7.477 21.361 1.00 19.79 O ATOM 365 CB VAL A 38 18.298 5.392 21.287 1.00 17.41 C ATOM 366 CG1 VAL A 38 19.246 4.166 21.425 1.00 17.82 C ATOM 367 CG2 VAL A 38 16.802 4.985 21.311 1.00 17.94 C ATOM 368 H VAL A 38 17.579 8.074 21.446 1.00 0.00 H ATOM 369 N LYS A 39 20.851 6.382 23.301 1.00 16.56 N ATOM 370 CA LYS A 39 22.279 6.611 23.321 1.00 19.02 C ATOM 371 C LYS A 39 23.030 5.579 22.469 1.00 19.60 C ATOM 372 O LYS A 39 23.846 5.952 21.573 1.00 23.02 O ATOM 373 CB LYS A 39 22.741 6.638 24.765 1.00 19.59 C ATOM 374 CG LYS A 39 24.217 7.078 24.934 1.00 24.92 C ATOM 375 CD LYS A 39 24.535 7.304 26.423 1.00 29.52 C ATOM 376 CE LYS A 39 26.036 7.548 26.665 1.00 33.93 C ATOM 377 NZ LYS A 39 26.585 8.639 25.729 1.00 37.98 N ATOM 378 HZ1 LYS A 39 26.453 8.345 24.740 1.00 0.00 H ATOM 379 HZ2 LYS A 39 26.074 9.529 25.898 1.00 0.00 H ATOM 380 HZ3 LYS A 39 27.598 8.779 25.918 1.00 0.00 H ATOM 381 H LYS A 39 20.403 5.861 24.081 1.00 0.00 H ATOM 382 N ASP A 40 22.805 4.285 22.731 1.00 21.40 N ATOM 383 CA ASP A 40 23.481 3.229 21.983 1.00 20.88 C ATOM 384 C ASP A 40 22.690 1.925 22.045 1.00 19.18 C ATOM 385 O ASP A 40 21.756 1.750 22.852 1.00 18.66 O ATOM 386 CB ASP A 40 24.916 2.982 22.476 1.00 22.91 C ATOM 387 CG ASP A 40 24.995 2.824 23.988 1.00 26.00 C ATOM 388 OD1 ASP A 40 24.420 1.854 24.549 1.00 25.68 O ATOM 389 OD2 ASP A 40 25.642 3.678 24.620 1.00 28.30 O ATOM 390 H ASP A 40 22.135 4.027 23.483 1.00 0.00 H ATOM 391 N VAL A 41 23.042 1.029 21.148 1.00 17.67 N ATOM 392 CA VAL A 41 22.468 -0.283 21.064 1.00 16.80 C ATOM 393 C VAL A 41 23.594 -1.261 20.940 1.00 19.32 C ATOM 394 O VAL A 41 24.503 -1.009 20.169 1.00 20.73 O ATOM 395 CB VAL A 41 21.481 -0.363 19.829 1.00 17.47 C ATOM 396 CG1 VAL A 41 20.703 -1.657 19.825 1.00 18.48 C ATOM 397 CG2 VAL A 41 20.563 0.855 19.781 1.00 19.99 C ATOM 398 H VAL A 41 23.779 1.287 20.461 1.00 0.00 H ATOM 399 N GLN A 42 23.512 -2.372 21.655 1.00 19.73 N ATOM 400 CA GLN A 42 24.534 -3.404 21.614 1.00 18.05 C ATOM 401 C GLN A 42 23.953 -4.791 21.599 1.00 19.06 C ATOM 402 O GLN A 42 23.059 -5.133 22.406 1.00 17.43 O ATOM 403 CB GLN A 42 25.388 -3.309 22.858 1.00 17.00 C ATOM 404 CG GLN A 42 26.474 -4.374 22.942 1.00 17.20 C ATOM 405 CD GLN A 42 27.519 -4.300 21.796 1.00 20.18 C ATOM 406 OE1 GLN A 42 28.059 -3.214 21.475 1.00 21.25 O ATOM 407 NE2 GLN A 42 27.830 -5.445 21.219 1.00 21.03 N ATOM 408 HE22 GLN A 42 27.357 -6.322 21.516 1.00 0.00 H ATOM 409 HE21 GLN A 42 28.548 -5.470 20.467 1.00 0.00 H ATOM 410 H GLN A 42 22.685 -2.512 22.269 1.00 0.00 H ATOM 411 N LEU A 43 24.423 -5.619 20.664 1.00 21.70 N ATOM 412 CA LEU A 43 24.115 -7.058 20.631 1.00 20.53 C ATOM 413 C LEU A 43 24.860 -7.815 21.729 1.00 18.91 C ATOM 414 O LEU A 43 26.088 -7.893 21.735 1.00 17.92 O ATOM 415 CB LEU A 43 24.481 -7.677 19.274 1.00 23.04 C ATOM 416 CG LEU A 43 23.766 -7.242 18.013 1.00 22.82 C ATOM 417 CD1 LEU A 43 23.888 -8.312 16.931 1.00 23.02 C ATOM 418 CD2 LEU A 43 22.371 -6.968 18.304 1.00 26.92 C ATOM 419 H LEU A 43 25.038 -5.228 19.922 1.00 0.00 H ATOM 420 N ILE A 44 24.144 -8.425 22.640 1.00 19.16 N ATOM 421 CA ILE A 44 24.695 -9.113 23.787 1.00 20.39 C ATOM 422 C ILE A 44 24.812 -10.571 23.510 1.00 22.01 C ATOM 423 O ILE A 44 25.786 -11.178 23.950 1.00 24.28 O ATOM 424 CB ILE A 44 23.696 -8.960 25.008 1.00 23.63 C ATOM 425 CG1 ILE A 44 23.491 -7.490 25.326 1.00 26.03 C ATOM 426 CG2 ILE A 44 24.136 -9.704 26.276 1.00 23.60 C ATOM 427 CD1 ILE A 44 24.771 -6.750 25.585 1.00 24.58 C ATOM 428 H ILE A 44 23.110 -8.414 22.532 1.00 0.00 H ATOM 429 N GLU A 45 23.932 -11.163 22.758 1.00 23.77 N ATOM 430 CA GLU A 45 23.922 -12.581 22.502 1.00 24.76 C ATOM 431 C GLU A 45 23.353 -12.740 21.093 1.00 24.19 C ATOM 432 O GLU A 45 22.398 -12.026 20.729 1.00 24.59 O ATOM 433 CB GLU A 45 23.048 -13.329 23.495 1.00 30.15 C ATOM 434 CG GLU A 45 23.022 -14.792 23.142 1.00 36.51 C ATOM 435 CD GLU A 45 22.691 -15.650 24.310 1.00 41.33 C ATOM 436 OE1 GLU A 45 22.101 -15.085 25.272 1.00 41.66 O ATOM 437 OE2 GLU A 45 23.011 -16.881 24.222 1.00 42.80 O ATOM 438 H GLU A 45 23.193 -10.580 22.316 1.00 0.00 H ATOM 439 N GLY A 46 23.864 -13.689 20.317 1.00 26.73 N ATOM 440 CA GLY A 46 23.409 -13.883 18.943 1.00 27.94 C ATOM 441 C GLY A 46 24.023 -12.853 17.991 1.00 29.32 C ATOM 442 O GLY A 46 24.633 -11.937 18.465 1.00 29.85 O ATOM 443 H GLY A 46 24.607 -14.310 20.697 1.00 0.00 H ATOM 444 N ASP A 47 23.775 -12.940 16.682 1.00 29.56 N ATOM 445 CA ASP A 47 24.343 -12.019 15.693 1.00 28.13 C ATOM 446 C ASP A 47 23.370 -11.202 14.889 1.00 27.53 C ATOM 447 O ASP A 47 23.729 -10.449 13.975 1.00 27.70 O ATOM 448 CB ASP A 47 25.233 -12.835 14.754 1.00 30.74 C ATOM 449 CG ASP A 47 26.460 -13.388 15.478 1.00 32.65 C ATOM 450 OD1 ASP A 47 27.061 -12.659 16.316 1.00 34.92 O ATOM 451 OD2 ASP A 47 26.805 -14.554 15.233 1.00 32.40 O ATOM 452 H ASP A 47 23.148 -13.699 16.347 1.00 0.00 H ATOM 453 N GLY A 48 22.105 -11.402 15.215 1.00 25.71 N ATOM 454 CA GLY A 48 20.988 -10.733 14.546 1.00 24.79 C ATOM 455 C GLY A 48 19.908 -11.627 14.017 1.00 24.74 C ATOM 456 O GLY A 48 18.969 -11.116 13.394 1.00 25.69 O ATOM 457 H GLY A 48 21.893 -12.068 15.985 1.00 0.00 H ATOM 458 N GLY A 49 19.999 -12.925 14.228 1.00 26.40 N ATOM 459 CA GLY A 49 18.886 -13.807 13.927 1.00 26.03 C ATOM 460 C GLY A 49 18.011 -14.031 15.142 1.00 24.23 C ATOM 461 O GLY A 49 18.255 -13.444 16.215 1.00 24.10 O ATOM 462 H GLY A 49 20.879 -13.322 14.615 1.00 0.00 H ATOM 463 N VAL A 50 17.032 -14.926 14.999 1.00 23.18 N ATOM 464 CA VAL A 50 16.124 -15.249 16.112 1.00 21.82 C ATOM 465 C VAL A 50 16.933 -15.680 17.366 1.00 21.59 C ATOM 466 O VAL A 50 17.909 -16.460 17.297 1.00 22.50 O ATOM 467 CB VAL A 50 15.102 -16.323 15.735 1.00 22.16 C ATOM 468 CG1 VAL A 50 14.268 -16.755 16.929 1.00 23.01 C ATOM 469 CG2 VAL A 50 14.192 -15.816 14.637 1.00 23.87 C ATOM 470 H VAL A 50 16.908 -15.405 14.084 1.00 0.00 H ATOM 471 N GLY A 51 16.511 -15.203 18.532 1.00 20.21 N ATOM 472 CA GLY A 51 17.222 -15.522 19.768 1.00 18.69 C ATOM 473 C GLY A 51 18.196 -14.412 20.161 1.00 20.48 C ATOM 474 O GLY A 51 18.682 -14.364 21.301 1.00 21.99 O ATOM 475 H GLY A 51 15.667 -14.597 18.565 1.00 0.00 H ATOM 476 N THR A 52 18.504 -13.532 19.222 1.00 19.60 N ATOM 477 CA THR A 52 19.439 -12.443 19.467 1.00 17.98 C ATOM 478 C THR A 52 18.886 -11.559 20.558 1.00 17.59 C ATOM 479 O THR A 52 17.731 -11.207 20.517 1.00 17.69 O ATOM 480 CB THR A 52 19.648 -11.583 18.227 1.00 21.45 C ATOM 481 OG1 THR A 52 20.280 -12.322 17.162 1.00 22.42 O ATOM 482 CG2 THR A 52 20.487 -10.350 18.549 1.00 21.78 C ATOM 483 HG1 THR A 52 19.711 -13.093 16.914 1.00 0.00 H ATOM 484 H THR A 52 18.066 -13.621 18.283 1.00 0.00 H ATOM 485 N ILE A 53 19.694 -11.222 21.548 1.00 17.87 N ATOM 486 CA ILE A 53 19.372 -10.263 22.595 1.00 19.07 C ATOM 487 C ILE A 53 20.138 -9.044 22.383 1.00 19.52 C ATOM 488 O ILE A 53 21.356 -9.137 22.170 1.00 19.80 O ATOM 489 CB ILE A 53 19.671 -10.799 23.986 1.00 20.94 C ATOM 490 CG1 ILE A 53 19.113 -12.203 24.145 1.00 23.89 C ATOM 491 CG2 ILE A 53 19.270 -9.865 25.077 1.00 22.19 C ATOM 492 CD1 ILE A 53 17.725 -12.258 24.116 1.00 25.75 C ATOM 493 H ILE A 53 20.629 -11.676 21.582 1.00 0.00 H ATOM 494 N LEU A 54 19.523 -7.901 22.515 1.00 18.75 N ATOM 495 CA LEU A 54 20.123 -6.574 22.440 1.00 19.23 C ATOM 496 C LEU A 54 19.768 -5.712 23.633 1.00 18.28 C ATOM 497 O LEU A 54 18.669 -5.811 24.162 1.00 18.93 O ATOM 498 CB LEU A 54 19.608 -5.805 21.259 1.00 24.55 C ATOM 499 CG LEU A 54 19.712 -6.456 19.920 1.00 25.74 C ATOM 500 CD1 LEU A 54 18.518 -7.281 19.614 1.00 23.54 C ATOM 501 CD2 LEU A 54 19.813 -5.328 18.957 1.00 31.26 C ATOM 502 H LEU A 54 18.499 -7.940 22.692 1.00 0.00 H ATOM 503 N ILE A 55 20.637 -4.794 24.031 1.00 17.92 N ATOM 504 CA ILE A 55 20.353 -3.750 25.012 1.00 17.27 C ATOM 505 C ILE A 55 20.356 -2.381 24.359 1.00 16.78 C ATOM 506 O ILE A 55 21.357 -1.983 23.649 1.00 19.63 O ATOM 507 CB ILE A 55 21.454 -3.717 26.143 1.00 20.18 C ATOM 508 CG1 ILE A 55 21.406 -4.958 26.989 1.00 21.62 C ATOM 509 CG2 ILE A 55 21.282 -2.520 27.055 1.00 20.23 C ATOM 510 CD1 ILE A 55 20.282 -4.983 27.984 1.00 23.25 C ATOM 511 H ILE A 55 21.590 -4.819 23.615 1.00 0.00 H ATOM 512 N PHE A 56 19.255 -1.679 24.537 1.00 16.82 N ATOM 513 CA PHE A 56 19.182 -0.281 24.197 1.00 18.19 C ATOM 514 C PHE A 56 19.462 0.504 25.459 1.00 19.27 C ATOM 515 O PHE A 56 18.752 0.338 26.436 1.00 18.43 O ATOM 516 CB PHE A 56 17.757 0.036 23.736 1.00 18.57 C ATOM 517 CG PHE A 56 17.404 -0.553 22.411 1.00 20.15 C ATOM 518 CD1 PHE A 56 17.111 -1.901 22.312 1.00 18.55 C ATOM 519 CD2 PHE A 56 17.417 0.229 21.244 1.00 22.01 C ATOM 520 CE1 PHE A 56 16.812 -2.465 21.093 1.00 21.49 C ATOM 521 CE2 PHE A 56 17.063 -0.356 20.010 1.00 22.87 C ATOM 522 CZ PHE A 56 16.737 -1.702 19.952 1.00 21.95 C ATOM 523 H PHE A 56 18.415 -2.147 24.934 1.00 0.00 H ATOM 524 N ASN A 57 20.495 1.349 25.455 1.00 19.02 N ATOM 525 CA ASN A 57 20.674 2.320 26.526 1.00 17.46 C ATOM 526 C ASN A 57 20.183 3.680 26.086 1.00 16.40 C ATOM 527 O ASN A 57 20.532 4.190 24.999 1.00 16.86 O ATOM 528 CB ASN A 57 22.162 2.385 26.941 1.00 17.21 C ATOM 529 CG ASN A 57 22.511 1.283 27.833 1.00 17.83 C ATOM 530 OD1 ASN A 57 22.134 1.270 29.003 1.00 17.22 O ATOM 531 ND2 ASN A 57 23.328 0.356 27.322 1.00 19.84 N ATOM 532 HD22 ASN A 57 23.618 0.411 26.325 1.00 0.00 H ATOM 533 HD21 ASN A 57 23.673 -0.420 27.922 1.00 0.00 H ATOM 534 H ASN A 57 21.183 1.314 24.675 1.00 0.00 H ATOM 535 N PHE A 58 19.239 4.234 26.859 1.00 17.15 N ATOM 536 CA PHE A 58 18.714 5.554 26.583 1.00 17.48 C ATOM 537 C PHE A 58 19.544 6.673 27.195 1.00 18.12 C ATOM 538 O PHE A 58 20.473 6.415 27.973 1.00 18.60 O ATOM 539 CB PHE A 58 17.235 5.603 27.029 1.00 17.02 C ATOM 540 CG PHE A 58 16.397 4.497 26.445 1.00 17.72 C ATOM 541 CD1 PHE A 58 16.468 4.172 25.096 1.00 19.99 C ATOM 542 CD2 PHE A 58 15.540 3.812 27.226 1.00 18.86 C ATOM 543 CE1 PHE A 58 15.694 3.131 24.567 1.00 21.30 C ATOM 544 CE2 PHE A 58 14.727 2.781 26.704 1.00 19.35 C ATOM 545 CZ PHE A 58 14.807 2.461 25.378 1.00 18.65 C ATOM 546 H PHE A 58 18.875 3.703 27.676 1.00 0.00 H ATOM 547 N LEU A 59 19.243 7.920 26.832 1.00 18.80 N ATOM 548 CA LEU A 59 19.970 9.051 27.379 1.00 19.75 C ATOM 549 C LEU A 59 19.710 9.081 28.901 1.00 21.98 C ATOM 550 O LEU A 59 18.679 8.581 29.362 1.00 22.94 O ATOM 551 CB LEU A 59 19.470 10.355 26.726 1.00 19.57 C ATOM 552 CG LEU A 59 19.939 10.578 25.274 1.00 20.03 C ATOM 553 CD1 LEU A 59 19.409 11.883 24.782 1.00 19.71 C ATOM 554 CD2 LEU A 59 21.432 10.626 25.226 1.00 22.40 C ATOM 555 H LEU A 59 18.477 8.085 26.148 1.00 0.00 H ATOM 556 N PRO A 60 20.646 9.641 29.699 1.00 25.65 N ATOM 557 CA PRO A 60 20.382 9.580 31.148 1.00 28.00 C ATOM 558 C PRO A 60 19.135 10.337 31.576 1.00 30.99 C ATOM 559 O PRO A 60 18.578 10.073 32.622 1.00 30.41 O ATOM 560 CB PRO A 60 21.615 10.195 31.780 1.00 28.94 C ATOM 561 CG PRO A 60 22.316 10.896 30.724 1.00 28.49 C ATOM 562 CD PRO A 60 21.933 10.285 29.396 1.00 28.16 C ATOM 563 N GLU A 61 18.704 11.303 30.805 1.00 32.06 N ATOM 564 CA GLU A 61 17.427 11.924 31.152 1.00 33.69 C ATOM 565 C GLU A 61 16.411 10.797 31.410 1.00 32.26 C ATOM 566 O GLU A 61 15.870 10.654 32.501 1.00 31.64 O ATOM 567 CB GLU A 61 16.946 12.843 30.026 1.00 35.73 C ATOM 568 CG GLU A 61 17.895 12.940 28.839 1.00 37.54 C ATOM 569 CD GLU A 61 19.240 13.631 29.166 1.00 39.52 C ATOM 570 OE1 GLU A 61 20.297 12.984 28.933 1.00 38.59 O ATOM 571 OE2 GLU A 61 19.232 14.802 29.641 1.00 40.66 O ATOM 572 H GLU A 61 19.249 11.617 29.977 1.00 0.00 H ATOM 573 N VAL A 62 16.318 9.930 30.410 1.00 30.39 N ATOM 574 CA VAL A 62 15.206 8.995 30.173 1.00 27.58 C ATOM 575 C VAL A 62 15.010 7.892 31.190 1.00 28.41 C ATOM 576 O VAL A 62 15.970 7.250 31.640 1.00 28.32 O ATOM 577 CB VAL A 62 15.479 8.314 28.820 1.00 25.76 C ATOM 578 CG1 VAL A 62 14.426 7.251 28.494 1.00 22.09 C ATOM 579 CG2 VAL A 62 15.558 9.387 27.719 1.00 28.31 C ATOM 580 H VAL A 62 17.104 9.909 29.730 1.00 0.00 H ATOM 581 N SER A 63 13.750 7.601 31.497 1.00 29.50 N ATOM 582 CA SER A 63 13.454 6.599 32.514 1.00 30.73 C ATOM 583 C SER A 63 12.210 5.782 32.106 1.00 28.47 C ATOM 584 O SER A 63 11.173 6.366 31.804 1.00 31.69 O ATOM 585 CB SER A 63 13.215 7.261 33.883 1.00 33.62 C ATOM 586 OG SER A 63 12.894 6.304 34.913 1.00 34.95 O ATOM 587 HG SER A 63 13.642 5.663 35.011 1.00 0.00 H ATOM 588 H SER A 63 12.972 8.090 31.010 1.00 0.00 H ATOM 589 N PRO A 64 12.312 4.439 32.089 1.00 25.57 N ATOM 590 CA PRO A 64 13.544 3.687 32.351 1.00 24.29 C ATOM 591 C PRO A 64 14.618 3.972 31.313 1.00 20.11 C ATOM 592 O PRO A 64 14.374 4.373 30.181 1.00 20.75 O ATOM 593 CB PRO A 64 13.106 2.244 32.205 1.00 25.74 C ATOM 594 CG PRO A 64 12.012 2.318 31.220 1.00 25.71 C ATOM 595 CD PRO A 64 11.221 3.530 31.687 1.00 25.53 C ATOM 596 N SER A 65 15.831 3.699 31.737 1.00 19.71 N ATOM 597 CA SER A 65 16.981 4.149 31.029 1.00 16.91 C ATOM 598 C SER A 65 17.449 3.125 30.032 1.00 17.05 C ATOM 599 O SER A 65 18.493 3.332 29.391 1.00 16.15 O ATOM 600 CB SER A 65 18.139 4.428 32.001 1.00 18.13 C ATOM 601 OG SER A 65 18.741 3.185 32.421 1.00 21.89 O ATOM 602 HG SER A 65 19.089 2.704 31.629 1.00 0.00 H ATOM 603 H SER A 65 15.954 3.143 32.607 1.00 0.00 H ATOM 604 N TYR A 66 16.769 1.992 29.908 1.00 16.63 N ATOM 605 CA TYR A 66 17.209 0.950 29.019 1.00 16.89 C ATOM 606 C TYR A 66 16.055 0.010 28.724 1.00 14.75 C ATOM 607 O TYR A 66 14.982 0.070 29.411 1.00 15.22 O ATOM 608 CB TYR A 66 18.300 0.130 29.695 1.00 19.93 C ATOM 609 CG TYR A 66 17.795 -0.826 30.766 1.00 21.02 C ATOM 610 CD1 TYR A 66 17.601 -0.434 32.080 1.00 23.08 C ATOM 611 CD2 TYR A 66 17.591 -2.141 30.455 1.00 22.42 C ATOM 612 CE1 TYR A 66 17.195 -1.346 33.025 1.00 22.89 C ATOM 613 CE2 TYR A 66 17.101 -3.037 31.370 1.00 26.50 C ATOM 614 CZ TYR A 66 16.907 -2.639 32.649 1.00 26.72 C ATOM 615 OH TYR A 66 16.452 -3.603 33.537 1.00 30.76 O ATOM 616 HH TYR A 66 17.106 -4.345 33.581 1.00 0.00 H ATOM 617 H TYR A 66 15.901 1.855 30.464 1.00 0.00 H ATOM 618 N GLN A 67 16.202 -0.780 27.670 1.00 15.30 N ATOM 619 CA GLN A 67 15.401 -1.984 27.481 1.00 14.39 C ATOM 620 C GLN A 67 16.214 -3.087 26.886 1.00 15.20 C ATOM 621 O GLN A 67 17.147 -2.817 26.057 1.00 17.38 O ATOM 622 CB GLN A 67 14.084 -1.784 26.661 1.00 14.79 C ATOM 623 CG GLN A 67 14.211 -1.409 25.181 1.00 16.88 C ATOM 624 CD GLN A 67 12.925 -0.906 24.659 1.00 17.40 C ATOM 625 OE1 GLN A 67 12.348 0.040 25.225 1.00 18.15 O ATOM 626 NE2 GLN A 67 12.454 -1.533 23.589 1.00 17.22 N ATOM 627 HE22 GLN A 67 12.991 -2.317 23.167 1.00 0.00 H ATOM 628 HE21 GLN A 67 11.548 -1.240 23.172 1.00 0.00 H ATOM 629 H GLN A 67 16.913 -0.533 26.953 1.00 0.00 H ATOM 630 N ARG A 68 15.953 -4.306 27.306 1.00 15.71 N ATOM 631 CA ARG A 68 16.604 -5.495 26.781 1.00 16.63 C ATOM 632 C ARG A 68 15.575 -6.118 25.800 1.00 14.75 C ATOM 633 O ARG A 68 14.415 -6.351 26.194 1.00 15.13 O ATOM 634 CB ARG A 68 16.943 -6.451 27.910 1.00 19.67 C ATOM 635 CG ARG A 68 17.627 -7.771 27.413 1.00 21.86 C ATOM 636 CD ARG A 68 17.816 -8.792 28.499 1.00 25.00 C ATOM 637 NE ARG A 68 18.423 -8.153 29.656 1.00 27.08 N ATOM 638 CZ ARG A 68 19.719 -8.097 29.923 1.00 30.02 C ATOM 639 NH1 ARG A 68 20.628 -8.696 29.142 1.00 31.23 N ATOM 640 NH2 ARG A 68 20.096 -7.475 31.023 1.00 32.88 N ATOM 641 HE ARG A 68 17.781 -7.698 30.336 1.00 0.00 H ATOM 642 HH12 ARG A 68 21.639 -8.634 29.379 1.00 0.00 H ATOM 643 HH11 ARG A 68 20.323 -9.223 28.299 1.00 0.00 H ATOM 644 HH22 ARG A 68 21.106 -7.412 31.264 1.00 0.00 H ATOM 645 HH21 ARG A 68 19.384 -7.048 31.649 1.00 0.00 H ATOM 646 H ARG A 68 15.242 -4.426 28.055 1.00 0.00 H ATOM 647 N GLU A 69 15.982 -6.393 24.579 1.00 17.82 N ATOM 648 CA GLU A 69 15.075 -6.765 23.473 1.00 18.76 C ATOM 649 C GLU A 69 15.546 -8.069 22.922 1.00 16.29 C ATOM 650 O GLU A 69 16.801 -8.306 22.893 1.00 17.83 O ATOM 651 CB GLU A 69 15.129 -5.710 22.389 1.00 18.82 C ATOM 652 CG GLU A 69 13.889 -5.711 21.415 1.00 19.33 C ATOM 653 CD GLU A 69 12.600 -5.068 21.961 1.00 21.19 C ATOM 654 OE1 GLU A 69 11.565 -5.161 21.224 1.00 21.78 O ATOM 655 OE2 GLU A 69 12.720 -4.481 23.046 1.00 23.10 O ATOM 656 H GLU A 69 17.002 -6.346 24.381 1.00 0.00 H ATOM 657 N GLU A 70 14.642 -8.925 22.475 1.00 17.66 N ATOM 658 CA GLU A 70 14.932 -10.190 21.850 1.00 17.66 C ATOM 659 C GLU A 70 14.279 -10.265 20.492 1.00 17.72 C ATOM 660 O GLU A 70 13.110 -9.938 20.330 1.00 18.53 O ATOM 661 CB GLU A 70 14.514 -11.415 22.670 1.00 17.51 C ATOM 662 CG GLU A 70 14.982 -12.755 22.038 1.00 22.05 C ATOM 663 CD GLU A 70 14.683 -13.941 22.889 1.00 28.87 C ATOM 664 OE1 GLU A 70 14.358 -13.761 24.087 1.00 32.40 O ATOM 665 OE2 GLU A 70 14.766 -15.060 22.358 1.00 30.96 O ATOM 666 H GLU A 70 13.641 -8.664 22.584 1.00 0.00 H ATOM 667 N ILE A 71 15.028 -10.684 19.489 1.00 17.69 N ATOM 668 CA ILE A 71 14.453 -10.985 18.200 1.00 18.75 C ATOM 669 C ILE A 71 13.772 -12.354 18.292 1.00 17.86 C ATOM 670 O ILE A 71 14.410 -13.381 18.416 1.00 17.85 O ATOM 671 CB ILE A 71 15.504 -10.993 17.112 1.00 21.17 C ATOM 672 CG1 ILE A 71 16.138 -9.596 16.991 1.00 22.47 C ATOM 673 CG2 ILE A 71 14.861 -11.464 15.812 1.00 22.05 C ATOM 674 CD1 ILE A 71 17.201 -9.470 15.910 1.00 20.82 C ATOM 675 H ILE A 71 16.052 -10.799 19.630 1.00 0.00 H ATOM 676 N THR A 72 12.446 -12.312 18.202 1.00 19.15 N ATOM 677 CA THR A 72 11.656 -13.519 18.354 1.00 18.25 C ATOM 678 C THR A 72 11.110 -14.098 17.062 1.00 17.81 C ATOM 679 O THR A 72 10.757 -15.256 17.012 1.00 21.05 O ATOM 680 CB THR A 72 10.504 -13.283 19.339 1.00 17.29 C ATOM 681 OG1 THR A 72 9.638 -12.256 18.869 1.00 19.71 O ATOM 682 CG2 THR A 72 11.009 -12.896 20.631 1.00 17.66 C ATOM 683 HG1 THR A 72 9.260 -12.520 17.993 1.00 0.00 H ATOM 684 H THR A 72 11.971 -11.405 18.021 1.00 0.00 H ATOM 685 N GLU A 73 11.097 -13.292 16.014 1.00 19.51 N ATOM 686 CA GLU A 73 10.738 -13.710 14.656 1.00 21.03 C ATOM 687 C GLU A 73 11.635 -12.988 13.631 1.00 20.46 C ATOM 688 O GLU A 73 11.889 -11.812 13.766 1.00 19.70 O ATOM 689 CB GLU A 73 9.258 -13.448 14.365 1.00 21.73 C ATOM 690 CG GLU A 73 8.854 -13.783 12.918 1.00 24.20 C ATOM 691 CD GLU A 73 7.487 -13.237 12.481 1.00 25.24 C ATOM 692 OE1 GLU A 73 6.779 -12.526 13.252 1.00 25.92 O ATOM 693 OE2 GLU A 73 7.144 -13.550 11.318 1.00 24.86 O ATOM 694 H GLU A 73 11.359 -12.297 16.163 1.00 0.00 H ATOM 695 N PHE A 74 12.094 -13.696 12.596 1.00 21.05 N ATOM 696 CA PHE A 74 12.892 -13.094 11.540 1.00 22.85 C ATOM 697 C PHE A 74 12.577 -13.873 10.280 1.00 23.17 C ATOM 698 O PHE A 74 13.075 -14.972 10.107 1.00 23.91 O ATOM 699 CB PHE A 74 14.392 -13.180 11.882 1.00 23.25 C ATOM 700 CG PHE A 74 15.266 -12.340 10.993 1.00 25.21 C ATOM 701 CD1 PHE A 74 15.622 -12.789 9.717 1.00 26.38 C ATOM 702 CD2 PHE A 74 15.701 -11.091 11.411 1.00 23.75 C ATOM 703 CE1 PHE A 74 16.398 -12.007 8.905 1.00 25.94 C ATOM 704 CE2 PHE A 74 16.470 -10.313 10.606 1.00 24.68 C ATOM 705 CZ PHE A 74 16.798 -10.744 9.355 1.00 24.85 C ATOM 706 H PHE A 74 11.874 -14.711 12.543 1.00 0.00 H ATOM 707 N ASP A 75 11.663 -13.344 9.462 1.00 22.88 N ATOM 708 CA ASP A 75 11.261 -14.005 8.219 1.00 25.47 C ATOM 709 C ASP A 75 11.605 -13.135 7.036 1.00 25.73 C ATOM 710 O ASP A 75 10.927 -12.172 6.736 1.00 25.01 O ATOM 711 CB ASP A 75 9.768 -14.299 8.264 1.00 28.32 C ATOM 712 CG ASP A 75 9.311 -15.204 7.150 1.00 32.22 C ATOM 713 OD1 ASP A 75 9.918 -15.245 6.062 1.00 31.96 O ATOM 714 OD2 ASP A 75 8.290 -15.886 7.371 1.00 36.00 O ATOM 715 H ASP A 75 11.224 -12.436 9.716 1.00 0.00 H ATOM 716 N GLU A 76 12.704 -13.442 6.369 1.00 28.69 N ATOM 717 CA GLU A 76 13.082 -12.572 5.273 1.00 32.01 C ATOM 718 C GLU A 76 12.152 -12.762 4.061 1.00 32.47 C ATOM 719 O GLU A 76 11.899 -11.813 3.369 1.00 34.50 O ATOM 720 CB GLU A 76 14.587 -12.655 4.935 1.00 37.09 C ATOM 721 CG GLU A 76 15.251 -14.011 4.979 1.00 44.55 C ATOM 722 CD GLU A 76 16.787 -13.925 4.983 1.00 49.59 C ATOM 723 OE1 GLU A 76 17.417 -14.648 4.161 1.00 51.71 O ATOM 724 OE2 GLU A 76 17.353 -13.146 5.810 1.00 50.91 O ATOM 725 H GLU A 76 13.275 -14.274 6.620 1.00 0.00 H ATOM 726 N SER A 77 11.604 -13.958 3.854 1.00 31.57 N ATOM 727 CA SER A 77 10.696 -14.189 2.729 1.00 32.94 C ATOM 728 C SER A 77 9.515 -13.245 2.808 1.00 29.06 C ATOM 729 O SER A 77 9.114 -12.662 1.802 1.00 30.52 O ATOM 730 CB SER A 77 10.196 -15.644 2.710 1.00 37.67 C ATOM 731 OG SER A 77 9.593 -15.961 1.456 1.00 41.28 O ATOM 732 HG SER A 77 8.824 -15.358 1.299 1.00 0.00 H ATOM 733 H SER A 77 11.825 -14.741 4.502 1.00 0.00 H ATOM 734 N SER A 78 8.941 -13.091 3.991 1.00 27.02 N ATOM 735 CA SER A 78 7.751 -12.258 4.158 1.00 27.72 C ATOM 736 C SER A 78 8.006 -10.865 4.762 1.00 25.71 C ATOM 737 O SER A 78 7.089 -10.091 5.007 1.00 26.30 O ATOM 738 CB SER A 78 6.768 -12.983 5.032 1.00 31.59 C ATOM 739 OG SER A 78 7.265 -13.051 6.342 1.00 34.28 O ATOM 740 HG SER A 78 8.127 -13.537 6.342 1.00 0.00 H ATOM 741 H SER A 78 9.345 -13.573 4.819 1.00 0.00 H ATOM 742 N HIS A 79 9.256 -10.554 5.000 1.00 23.75 N ATOM 743 CA HIS A 79 9.696 -9.282 5.569 1.00 22.64 C ATOM 744 C HIS A 79 9.010 -8.942 6.878 1.00 20.81 C ATOM 745 O HIS A 79 8.471 -7.836 7.068 1.00 20.28 O ATOM 746 CB HIS A 79 9.538 -8.137 4.588 1.00 23.48 C ATOM 747 CG HIS A 79 10.349 -8.311 3.354 1.00 24.84 C ATOM 748 ND1 HIS A 79 9.775 -8.658 2.155 1.00 26.40 N ATOM 749 CD2 HIS A 79 11.685 -8.251 3.131 1.00 25.60 C ATOM 750 CE1 HIS A 79 10.717 -8.774 1.232 1.00 27.28 C ATOM 751 NE2 HIS A 79 11.888 -8.542 1.802 1.00 26.26 N ATOM 752 H HIS A 79 9.984 -11.260 4.768 1.00 0.00 H ATOM 753 N GLU A 80 9.124 -9.884 7.802 1.00 19.24 N ATOM 754 CA GLU A 80 8.481 -9.800 9.091 1.00 18.02 C ATOM 755 C GLU A 80 9.505 -10.017 10.167 1.00 19.00 C ATOM 756 O GLU A 80 10.167 -11.046 10.187 1.00 19.67 O ATOM 757 CB GLU A 80 7.310 -10.826 9.218 1.00 19.68 C ATOM 758 CG GLU A 80 6.432 -10.606 10.399 1.00 23.50 C ATOM 759 CD GLU A 80 5.159 -11.399 10.294 1.00 27.88 C ATOM 760 OE1 GLU A 80 5.189 -12.614 10.477 1.00 28.02 O ATOM 761 OE2 GLU A 80 4.121 -10.810 9.946 1.00 29.92 O ATOM 762 H GLU A 80 9.703 -10.721 7.589 1.00 0.00 H ATOM 763 N ILE A 81 9.569 -9.062 11.105 1.00 16.59 N ATOM 764 CA ILE A 81 10.455 -9.206 12.271 1.00 16.56 C ATOM 765 C ILE A 81 9.704 -8.898 13.526 1.00 16.99 C ATOM 766 O ILE A 81 8.886 -7.969 13.584 1.00 17.77 O ATOM 767 CB ILE A 81 11.734 -8.347 12.136 1.00 18.86 C ATOM 768 CG1 ILE A 81 12.642 -8.557 13.345 1.00 19.66 C ATOM 769 CG2 ILE A 81 11.384 -6.886 11.943 1.00 21.73 C ATOM 770 CD1 ILE A 81 14.012 -8.045 13.141 1.00 19.75 C ATOM 771 H ILE A 81 8.984 -8.207 11.007 1.00 0.00 H ATOM 772 N GLY A 82 9.933 -9.728 14.530 1.00 18.97 N ATOM 773 CA GLY A 82 9.344 -9.528 15.832 1.00 17.62 C ATOM 774 C GLY A 82 10.402 -9.244 16.876 1.00 16.86 C ATOM 775 O GLY A 82 11.411 -9.927 16.917 1.00 15.44 O ATOM 776 H GLY A 82 10.555 -10.547 14.377 1.00 0.00 H ATOM 777 N LEU A 83 10.170 -8.221 17.685 1.00 16.60 N ATOM 778 CA LEU A 83 11.101 -7.747 18.656 1.00 15.27 C ATOM 779 C LEU A 83 10.346 -7.681 20.013 1.00 15.08 C ATOM 780 O LEU A 83 9.390 -6.896 20.156 1.00 15.96 O ATOM 781 CB LEU A 83 11.630 -6.376 18.238 1.00 18.16 C ATOM 782 CG LEU A 83 12.190 -6.268 16.827 1.00 22.96 C ATOM 783 CD1 LEU A 83 12.093 -4.874 16.173 1.00 26.48 C ATOM 784 CD2 LEU A 83 13.607 -6.667 17.021 1.00 25.05 C ATOM 785 H LEU A 83 9.254 -7.734 17.607 1.00 0.00 H ATOM 786 N GLN A 84 10.772 -8.470 21.003 1.00 15.22 N ATOM 787 CA GLN A 84 10.062 -8.582 22.303 1.00 14.68 C ATOM 788 C GLN A 84 10.834 -7.815 23.360 1.00 14.87 C ATOM 789 O GLN A 84 12.078 -7.995 23.435 1.00 15.60 O ATOM 790 CB GLN A 84 9.905 -10.024 22.736 1.00 13.82 C ATOM 791 CG GLN A 84 9.316 -10.209 24.144 1.00 16.19 C ATOM 792 CD GLN A 84 8.883 -11.628 24.445 1.00 18.14 C ATOM 793 OE1 GLN A 84 9.272 -12.560 23.746 1.00 19.82 O ATOM 794 NE2 GLN A 84 8.026 -11.795 25.500 1.00 17.57 N ATOM 795 HE22 GLN A 84 7.726 -10.973 26.062 1.00 0.00 H ATOM 796 HE21 GLN A 84 7.675 -12.744 25.740 1.00 0.00 H ATOM 797 H GLN A 84 11.637 -9.029 20.858 1.00 0.00 H ATOM 798 N VAL A 85 10.259 -6.994 24.200 1.00 15.30 N ATOM 799 CA VAL A 85 10.906 -6.481 25.417 1.00 16.27 C ATOM 800 C VAL A 85 10.962 -7.598 26.421 1.00 15.96 C ATOM 801 O VAL A 85 9.917 -8.117 26.812 1.00 17.50 O ATOM 802 CB VAL A 85 10.156 -5.263 25.983 1.00 18.43 C ATOM 803 CG1 VAL A 85 10.845 -4.703 27.211 1.00 17.35 C ATOM 804 CG2 VAL A 85 9.958 -4.238 24.921 1.00 20.71 C ATOM 805 H VAL A 85 9.287 -6.686 23.995 1.00 0.00 H ATOM 806 N ILE A 86 12.165 -7.965 26.900 1.00 16.89 N ATOM 807 CA ILE A 86 12.256 -8.998 27.900 1.00 20.57 C ATOM 808 C ILE A 86 12.658 -8.411 29.247 1.00 21.95 C ATOM 809 O ILE A 86 12.461 -9.050 30.267 1.00 24.11 O ATOM 810 CB ILE A 86 13.115 -10.173 27.461 1.00 23.32 C ATOM 811 CG1 ILE A 86 14.514 -9.735 27.101 1.00 22.58 C ATOM 812 CG2 ILE A 86 12.473 -10.866 26.233 1.00 24.26 C ATOM 813 CD1 ILE A 86 15.493 -10.971 26.953 1.00 24.95 C ATOM 814 H ILE A 86 13.028 -7.503 26.549 1.00 0.00 H ATOM 815 N GLU A 87 13.120 -7.152 29.253 1.00 19.60 N ATOM 816 CA GLU A 87 13.426 -6.454 30.489 1.00 19.91 C ATOM 817 C GLU A 87 13.462 -4.975 30.254 1.00 17.43 C ATOM 818 O GLU A 87 13.881 -4.509 29.203 1.00 17.47 O ATOM 819 CB GLU A 87 14.807 -6.843 30.997 1.00 22.65 C ATOM 820 CG GLU A 87 15.200 -6.435 32.468 1.00 25.95 C ATOM 821 CD GLU A 87 16.719 -6.635 32.837 1.00 29.62 C ATOM 822 OE1 GLU A 87 17.498 -7.135 32.033 1.00 29.73 O ATOM 823 OE2 GLU A 87 17.140 -6.317 33.973 1.00 33.46 O ATOM 824 H GLU A 87 13.263 -6.662 28.347 1.00 0.00 H ATOM 825 N GLY A 88 13.031 -4.207 31.244 1.00 18.73 N ATOM 826 CA GLY A 88 13.040 -2.768 31.129 1.00 17.96 C ATOM 827 C GLY A 88 12.000 -2.221 30.137 1.00 17.48 C ATOM 828 O GLY A 88 10.958 -2.860 29.942 1.00 18.24 O ATOM 829 H GLY A 88 12.680 -4.648 32.118 1.00 0.00 H ATOM 830 N GLY A 89 12.247 -1.026 29.581 1.00 16.94 N ATOM 831 CA GLY A 89 11.289 -0.401 28.677 1.00 15.27 C ATOM 832 C GLY A 89 9.874 -0.458 29.258 1.00 15.08 C ATOM 833 O GLY A 89 9.689 -0.177 30.428 1.00 15.54 O ATOM 834 H GLY A 89 13.138 -0.536 29.799 1.00 0.00 H ATOM 835 N TYR A 90 8.886 -0.793 28.435 1.00 14.89 N ATOM 836 CA TYR A 90 7.492 -0.747 28.917 1.00 13.76 C ATOM 837 C TYR A 90 7.239 -1.738 30.034 1.00 15.87 C ATOM 838 O TYR A 90 6.249 -1.604 30.804 1.00 17.64 O ATOM 839 CB TYR A 90 6.510 -0.933 27.748 1.00 14.24 C ATOM 840 CG TYR A 90 6.513 0.143 26.694 1.00 15.94 C ATOM 841 CD1 TYR A 90 6.506 1.479 27.025 1.00 20.56 C ATOM 842 CD2 TYR A 90 6.594 -0.177 25.325 1.00 17.17 C ATOM 843 CE1 TYR A 90 6.535 2.469 26.059 1.00 22.20 C ATOM 844 CE2 TYR A 90 6.672 0.805 24.367 1.00 15.62 C ATOM 845 CZ TYR A 90 6.606 2.136 24.723 1.00 18.96 C ATOM 846 OH TYR A 90 6.673 3.152 23.798 1.00 21.88 O ATOM 847 HH TYR A 90 6.607 4.024 24.262 1.00 0.00 H ATOM 848 H TYR A 90 9.094 -1.085 27.459 1.00 0.00 H ATOM 849 N LEU A 91 8.088 -2.764 30.167 1.00 18.19 N ATOM 850 CA LEU A 91 7.935 -3.717 31.246 1.00 20.48 C ATOM 851 C LEU A 91 8.225 -3.036 32.599 1.00 20.07 C ATOM 852 O LEU A 91 7.907 -3.595 33.628 1.00 23.36 O ATOM 853 CB LEU A 91 8.836 -4.923 31.080 1.00 21.59 C ATOM 854 CG LEU A 91 8.613 -5.902 29.947 1.00 22.36 C ATOM 855 CD1 LEU A 91 9.533 -7.170 30.111 1.00 24.58 C ATOM 856 CD2 LEU A 91 7.118 -6.217 29.735 1.00 22.01 C ATOM 857 H LEU A 91 8.867 -2.878 29.487 1.00 0.00 H ATOM 858 N SER A 92 8.889 -1.865 32.587 1.00 19.01 N ATOM 859 CA SER A 92 9.068 -1.099 33.810 1.00 19.94 C ATOM 860 C SER A 92 8.018 -0.064 34.019 1.00 20.03 C ATOM 861 O SER A 92 8.084 0.732 34.950 1.00 21.55 O ATOM 862 CB SER A 92 10.412 -0.375 33.828 1.00 19.44 C ATOM 863 OG SER A 92 11.447 -1.346 33.764 1.00 22.13 O ATOM 864 HG SER A 92 12.326 -0.891 33.775 1.00 0.00 H ATOM 865 H SER A 92 9.278 -1.504 31.693 1.00 0.00 H ATOM 866 N GLN A 93 6.982 -0.133 33.176 1.00 19.68 N ATOM 867 CA GLN A 93 5.927 0.894 33.200 1.00 22.48 C ATOM 868 C GLN A 93 4.561 0.304 33.331 1.00 22.59 C ATOM 869 O GLN A 93 3.569 0.981 32.981 1.00 24.18 O ATOM 870 CB GLN A 93 5.977 1.726 31.927 1.00 24.10 C ATOM 871 CG GLN A 93 7.338 2.388 31.648 1.00 26.63 C ATOM 872 CD GLN A 93 7.247 3.403 30.532 1.00 29.98 C ATOM 873 OE1 GLN A 93 7.847 3.251 29.469 1.00 28.62 O ATOM 874 NE2 GLN A 93 6.430 4.417 30.743 1.00 34.47 N ATOM 875 HE22 GLN A 93 5.941 4.510 31.656 1.00 0.00 H ATOM 876 HE21 GLN A 93 6.275 5.124 29.996 1.00 0.00 H ATOM 877 H GLN A 93 6.921 -0.919 32.498 1.00 0.00 H ATOM 878 N GLY A 94 4.472 -0.931 33.796 1.00 21.34 N ATOM 879 CA GLY A 94 3.183 -1.526 34.092 1.00 22.16 C ATOM 880 C GLY A 94 2.736 -2.609 33.146 1.00 21.79 C ATOM 881 O GLY A 94 1.770 -3.311 33.377 1.00 22.79 O ATOM 882 H GLY A 94 5.339 -1.484 33.952 1.00 0.00 H ATOM 883 N LEU A 95 3.443 -2.758 32.039 1.00 20.68 N ATOM 884 CA LEU A 95 3.158 -3.847 31.109 1.00 18.96 C ATOM 885 C LEU A 95 3.763 -5.116 31.663 1.00 18.38 C ATOM 886 O LEU A 95 4.825 -5.089 32.310 1.00 16.95 O ATOM 887 CB LEU A 95 3.789 -3.615 29.739 1.00 16.21 C ATOM 888 CG LEU A 95 3.086 -2.651 28.784 1.00 16.15 C ATOM 889 CD1 LEU A 95 1.779 -3.201 28.269 1.00 16.24 C ATOM 890 CD2 LEU A 95 2.831 -1.327 29.409 1.00 13.92 C ATOM 891 H LEU A 95 4.212 -2.091 31.828 1.00 0.00 H ATOM 892 N SER A 96 3.098 -6.233 31.444 1.00 18.40 N ATOM 893 CA SER A 96 3.634 -7.541 31.831 1.00 18.84 C ATOM 894 C SER A 96 4.189 -8.301 30.614 1.00 18.19 C ATOM 895 O SER A 96 4.934 -9.280 30.769 1.00 22.14 O ATOM 896 CB SER A 96 2.519 -8.355 32.473 1.00 18.41 C ATOM 897 OG SER A 96 1.451 -8.387 31.585 1.00 20.65 O ATOM 898 HG SER A 96 0.710 -8.912 31.980 1.00 0.00 H ATOM 899 H SER A 96 2.167 -6.185 30.984 1.00 0.00 H ATOM 900 N TYR A 97 3.799 -7.906 29.413 1.00 16.73 N ATOM 901 CA TYR A 97 4.259 -8.526 28.177 1.00 16.69 C ATOM 902 C TYR A 97 4.257 -7.392 27.118 1.00 14.37 C ATOM 903 O TYR A 97 3.303 -6.580 27.080 1.00 14.31 O ATOM 904 CB TYR A 97 3.315 -9.676 27.782 1.00 16.03 C ATOM 905 CG TYR A 97 3.760 -10.447 26.542 1.00 16.10 C ATOM 906 CD1 TYR A 97 3.465 -9.990 25.277 1.00 17.81 C ATOM 907 CD2 TYR A 97 4.427 -11.638 26.665 1.00 15.60 C ATOM 908 CE1 TYR A 97 3.897 -10.687 24.165 1.00 17.84 C ATOM 909 CE2 TYR A 97 4.838 -12.346 25.572 1.00 17.06 C ATOM 910 CZ TYR A 97 4.556 -11.873 24.309 1.00 18.57 C ATOM 911 OH TYR A 97 4.931 -12.536 23.146 1.00 22.51 O ATOM 912 HH TYR A 97 4.626 -12.018 22.359 1.00 0.00 H ATOM 913 H TYR A 97 3.130 -7.112 29.348 1.00 0.00 H ATOM 914 N TYR A 98 5.258 -7.366 26.236 1.00 13.71 N ATOM 915 CA TYR A 98 5.333 -6.373 25.186 1.00 15.62 C ATOM 916 C TYR A 98 6.125 -6.835 24.010 1.00 12.80 C ATOM 917 O TYR A 98 7.303 -7.233 24.194 1.00 14.11 O ATOM 918 CB TYR A 98 5.832 -5.014 25.648 1.00 14.66 C ATOM 919 CG TYR A 98 5.520 -3.933 24.653 1.00 13.94 C ATOM 920 CD1 TYR A 98 6.356 -3.623 23.574 1.00 13.69 C ATOM 921 CD2 TYR A 98 4.293 -3.248 24.786 1.00 14.92 C ATOM 922 CE1 TYR A 98 6.050 -2.608 22.711 1.00 14.45 C ATOM 923 CE2 TYR A 98 3.925 -2.308 23.943 1.00 15.33 C ATOM 924 CZ TYR A 98 4.779 -1.973 22.868 1.00 14.27 C ATOM 925 OH TYR A 98 4.412 -0.977 22.008 1.00 16.52 O ATOM 926 HH TYR A 98 5.111 -0.865 21.316 1.00 0.00 H ATOM 927 H TYR A 98 6.009 -8.083 26.305 1.00 0.00 H ATOM 928 N LYS A 99 5.581 -6.837 22.820 1.00 13.52 N ATOM 929 CA LYS A 99 6.274 -7.182 21.583 1.00 14.93 C ATOM 930 C LYS A 99 5.855 -6.283 20.451 1.00 14.23 C ATOM 931 O LYS A 99 4.674 -5.909 20.365 1.00 15.68 O ATOM 932 CB LYS A 99 6.084 -8.661 21.274 1.00 15.41 C ATOM 933 CG LYS A 99 6.741 -9.204 19.974 1.00 15.01 C ATOM 934 CD LYS A 99 6.345 -10.626 19.561 1.00 18.88 C ATOM 935 CE LYS A 99 6.802 -11.696 20.495 1.00 20.52 C ATOM 936 NZ LYS A 99 6.144 -12.964 20.144 1.00 24.33 N ATOM 937 HZ1 LYS A 99 5.113 -12.851 20.222 1.00 0.00 H ATOM 938 HZ2 LYS A 99 6.393 -13.224 19.168 1.00 0.00 H ATOM 939 HZ3 LYS A 99 6.462 -13.710 20.795 1.00 0.00 H ATOM 940 H LYS A 99 4.578 -6.572 22.750 1.00 0.00 H ATOM 941 N THR A 100 6.710 -6.028 19.503 1.00 14.94 N ATOM 942 CA THR A 100 6.466 -5.202 18.353 1.00 14.10 C ATOM 943 C THR A 100 6.839 -6.008 17.159 1.00 15.26 C ATOM 944 O THR A 100 7.970 -6.501 17.089 1.00 15.97 O ATOM 945 CB THR A 100 7.436 -3.928 18.328 1.00 15.99 C ATOM 946 OG1 THR A 100 7.375 -3.240 19.584 1.00 16.79 O ATOM 947 CG2 THR A 100 7.125 -2.956 17.231 1.00 18.61 C ATOM 948 HG1 THR A 100 6.446 -2.940 19.750 1.00 0.00 H ATOM 949 H THR A 100 7.652 -6.460 19.585 1.00 0.00 H ATOM 950 N THR A 101 5.954 -6.117 16.202 1.00 13.36 N ATOM 951 CA THR A 101 6.229 -6.883 15.000 1.00 15.48 C ATOM 952 C THR A 101 5.942 -6.017 13.820 1.00 15.69 C ATOM 953 O THR A 101 4.879 -5.388 13.703 1.00 16.06 O ATOM 954 CB THR A 101 5.261 -8.124 14.939 1.00 16.77 C ATOM 955 OG1 THR A 101 5.494 -8.999 16.069 1.00 18.93 O ATOM 956 CG2 THR A 101 5.368 -8.921 13.557 1.00 17.85 C ATOM 957 HG1 THR A 101 5.330 -8.502 16.909 1.00 0.00 H ATOM 958 H THR A 101 5.033 -5.645 16.305 1.00 0.00 H ATOM 959 N PHE A 102 6.922 -5.922 12.944 1.00 15.73 N ATOM 960 CA PHE A 102 6.814 -5.153 11.705 1.00 16.13 C ATOM 961 C PHE A 102 6.721 -6.131 10.537 1.00 17.12 C ATOM 962 O PHE A 102 7.411 -7.112 10.482 1.00 17.83 O ATOM 963 CB PHE A 102 8.122 -4.320 11.480 1.00 16.70 C ATOM 964 CG PHE A 102 8.423 -3.297 12.547 1.00 16.13 C ATOM 965 CD1 PHE A 102 7.668 -2.159 12.672 1.00 18.84 C ATOM 966 CD2 PHE A 102 9.486 -3.451 13.392 1.00 16.92 C ATOM 967 CE1 PHE A 102 7.921 -1.202 13.589 1.00 18.54 C ATOM 968 CE2 PHE A 102 9.748 -2.441 14.353 1.00 16.81 C ATOM 969 CZ PHE A 102 8.975 -1.334 14.444 1.00 16.93 C ATOM 970 H PHE A 102 7.814 -6.417 13.143 1.00 0.00 H ATOM 971 N LYS A 103 5.753 -5.937 9.648 1.00 16.92 N ATOM 972 CA LYS A 103 5.644 -6.709 8.402 1.00 20.03 C ATOM 973 C LYS A 103 5.590 -5.704 7.264 1.00 19.84 C ATOM 974 O LYS A 103 4.755 -4.855 7.254 1.00 18.52 O ATOM 975 CB LYS A 103 4.352 -7.563 8.425 1.00 21.16 C ATOM 976 CG LYS A 103 3.800 -7.986 7.050 1.00 26.12 C ATOM 977 CD LYS A 103 4.596 -9.116 6.399 1.00 30.26 C ATOM 978 CE LYS A 103 3.951 -9.648 5.086 1.00 34.90 C ATOM 979 NZ LYS A 103 3.171 -10.981 5.351 1.00 37.35 N ATOM 980 HZ1 LYS A 103 3.828 -11.699 5.718 1.00 0.00 H ATOM 981 HZ2 LYS A 103 2.420 -10.809 6.049 1.00 0.00 H ATOM 982 HZ3 LYS A 103 2.749 -11.317 4.462 1.00 0.00 H ATOM 983 H LYS A 103 5.040 -5.206 9.843 1.00 0.00 H ATOM 984 N LEU A 104 6.500 -5.817 6.300 1.00 18.89 N ATOM 985 CA LEU A 104 6.587 -4.865 5.209 1.00 19.22 C ATOM 986 C LEU A 104 6.066 -5.486 3.948 1.00 19.53 C ATOM 987 O LEU A 104 6.272 -6.689 3.678 1.00 19.74 O ATOM 988 CB LEU A 104 8.067 -4.484 4.950 1.00 20.57 C ATOM 989 CG LEU A 104 8.868 -3.943 6.119 1.00 20.98 C ATOM 990 CD1 LEU A 104 10.244 -3.495 5.582 1.00 21.27 C ATOM 991 CD2 LEU A 104 8.210 -2.818 6.907 1.00 22.62 C ATOM 992 H LEU A 104 7.170 -6.612 6.330 1.00 0.00 H ATOM 993 N SER A 105 5.480 -4.638 3.120 1.00 19.01 N ATOM 994 CA SER A 105 5.107 -5.030 1.788 1.00 20.46 C ATOM 995 C SER A 105 5.198 -3.862 0.831 1.00 19.77 C ATOM 996 O SER A 105 5.072 -2.718 1.208 1.00 19.12 O ATOM 997 CB SER A 105 3.722 -5.665 1.793 1.00 22.06 C ATOM 998 OG SER A 105 2.759 -4.746 2.284 1.00 23.52 O ATOM 999 HG SER A 105 2.997 -4.483 3.208 1.00 0.00 H ATOM 1000 H SER A 105 5.285 -3.667 3.439 1.00 0.00 H ATOM 1001 N GLU A 106 5.430 -4.171 -0.435 1.00 21.36 N ATOM 1002 CA GLU A 106 5.610 -3.134 -1.459 1.00 20.91 C ATOM 1003 C GLU A 106 4.267 -2.480 -1.810 1.00 20.52 C ATOM 1004 O GLU A 106 3.217 -3.189 -1.897 1.00 22.03 O ATOM 1005 CB GLU A 106 6.275 -3.722 -2.704 1.00 23.96 C ATOM 1006 CG GLU A 106 6.522 -2.686 -3.820 1.00 29.61 C ATOM 1007 CD GLU A 106 7.309 -3.261 -4.968 1.00 38.84 C ATOM 1008 OE1 GLU A 106 7.614 -2.511 -5.937 1.00 40.98 O ATOM 1009 OE2 GLU A 106 7.640 -4.475 -4.897 1.00 42.09 O ATOM 1010 H GLU A 106 5.486 -5.172 -0.711 1.00 0.00 H ATOM 1011 N ILE A 107 4.252 -1.156 -1.914 1.00 21.32 N ATOM 1012 CA ILE A 107 3.120 -0.460 -2.556 1.00 23.07 C ATOM 1013 C ILE A 107 3.607 -0.045 -3.950 1.00 22.90 C ATOM 1014 O ILE A 107 2.966 -0.373 -4.981 1.00 24.51 O ATOM 1015 CB ILE A 107 2.695 0.743 -1.716 1.00 24.08 C ATOM 1016 CG1 ILE A 107 2.280 0.270 -0.331 1.00 22.70 C ATOM 1017 CG2 ILE A 107 1.553 1.522 -2.377 1.00 25.39 C ATOM 1018 CD1 ILE A 107 2.150 1.375 0.649 1.00 23.95 C ATOM 1019 H ILE A 107 5.048 -0.603 -1.538 1.00 0.00 H ATOM 1020 N GLU A 108 4.741 0.662 -4.032 1.00 23.94 N ATOM 1021 CA GLU A 108 5.316 1.006 -5.314 1.00 25.36 C ATOM 1022 C GLU A 108 6.796 0.832 -5.161 1.00 24.09 C ATOM 1023 O GLU A 108 7.241 0.455 -4.077 1.00 24.22 O ATOM 1024 CB GLU A 108 5.011 2.442 -5.701 1.00 26.15 C ATOM 1025 CG GLU A 108 3.562 2.637 -6.028 1.00 30.47 C ATOM 1026 CD GLU A 108 3.323 3.821 -6.900 1.00 34.32 C ATOM 1027 OE1 GLU A 108 2.432 4.610 -6.560 1.00 34.42 O ATOM 1028 OE2 GLU A 108 3.977 3.978 -7.948 1.00 38.18 O ATOM 1029 H GLU A 108 5.216 0.969 -3.159 1.00 0.00 H ATOM 1030 N GLU A 109 7.549 1.130 -6.228 1.00 25.91 N ATOM 1031 CA GLU A 109 8.988 1.069 -6.217 1.00 25.89 C ATOM 1032 C GLU A 109 9.543 1.785 -4.999 1.00 24.53 C ATOM 1033 O GLU A 109 10.404 1.219 -4.321 1.00 24.36 O ATOM 1034 CB GLU A 109 9.526 1.674 -7.525 1.00 26.33 C ATOM 1035 CG GLU A 109 11.029 1.391 -7.784 1.00 28.51 C ATOM 1036 CD GLU A 109 12.002 2.422 -7.147 1.00 31.49 C ATOM 1037 OE1 GLU A 109 11.689 3.647 -7.191 1.00 34.11 O ATOM 1038 OE2 GLU A 109 13.077 1.998 -6.612 1.00 30.09 O ATOM 1039 H GLU A 109 7.072 1.419 -7.106 1.00 0.00 H ATOM 1040 N ASP A 110 9.030 2.990 -4.704 1.00 24.79 N ATOM 1041 CA ASP A 110 9.502 3.787 -3.570 1.00 24.49 C ATOM 1042 C ASP A 110 8.421 4.141 -2.555 1.00 24.01 C ATOM 1043 O ASP A 110 8.493 5.196 -1.927 1.00 27.41 O ATOM 1044 CB ASP A 110 10.180 5.086 -4.085 1.00 28.33 C ATOM 1045 CG ASP A 110 10.949 5.848 -3.025 1.00 32.51 C ATOM 1046 OD1 ASP A 110 11.469 5.254 -2.037 1.00 30.59 O ATOM 1047 OD2 ASP A 110 11.080 7.086 -3.236 1.00 35.40 O ATOM 1048 H ASP A 110 8.270 3.371 -5.303 1.00 0.00 H ATOM 1049 N LYS A 111 7.435 3.264 -2.376 1.00 22.84 N ATOM 1050 CA LYS A 111 6.483 3.393 -1.290 1.00 24.31 C ATOM 1051 C LYS A 111 6.274 2.022 -0.675 1.00 21.63 C ATOM 1052 O LYS A 111 6.141 1.010 -1.375 1.00 21.91 O ATOM 1053 CB LYS A 111 5.144 3.935 -1.805 1.00 28.14 C ATOM 1054 CG LYS A 111 5.241 5.265 -2.551 1.00 34.38 C ATOM 1055 CD LYS A 111 3.890 5.946 -2.724 1.00 39.65 C ATOM 1056 CE LYS A 111 3.846 6.801 -3.976 1.00 44.01 C ATOM 1057 NZ LYS A 111 3.855 5.937 -5.193 1.00 46.13 N ATOM 1058 HZ1 LYS A 111 4.722 5.363 -5.203 1.00 0.00 H ATOM 1059 HZ2 LYS A 111 3.024 5.311 -5.179 1.00 0.00 H ATOM 1060 HZ3 LYS A 111 3.825 6.536 -6.042 1.00 0.00 H ATOM 1061 H LYS A 111 7.345 2.464 -3.034 1.00 0.00 H ATOM 1062 N THR A 112 6.374 1.986 0.647 1.00 19.82 N ATOM 1063 CA THR A 112 6.309 0.710 1.373 1.00 19.62 C ATOM 1064 C THR A 112 5.261 0.766 2.490 1.00 18.76 C ATOM 1065 O THR A 112 5.200 1.735 3.195 1.00 19.86 O ATOM 1066 CB THR A 112 7.694 0.392 1.982 1.00 20.10 C ATOM 1067 OG1 THR A 112 8.647 0.257 0.913 1.00 19.45 O ATOM 1068 CG2 THR A 112 7.717 -0.901 2.789 1.00 20.72 C ATOM 1069 HG1 THR A 112 8.690 1.104 0.402 1.00 0.00 H ATOM 1070 H THR A 112 6.500 2.872 1.177 1.00 0.00 H ATOM 1071 N LEU A 113 4.452 -0.293 2.617 1.00 17.77 N ATOM 1072 CA LEU A 113 3.488 -0.431 3.698 1.00 17.71 C ATOM 1073 C LEU A 113 4.171 -1.107 4.890 1.00 17.71 C ATOM 1074 O LEU A 113 4.877 -2.140 4.697 1.00 17.37 O ATOM 1075 CB LEU A 113 2.284 -1.297 3.259 1.00 18.95 C ATOM 1076 CG LEU A 113 1.304 -1.712 4.355 1.00 20.12 C ATOM 1077 CD1 LEU A 113 0.745 -0.471 5.019 1.00 21.54 C ATOM 1078 CD2 LEU A 113 0.192 -2.597 3.767 1.00 19.25 C ATOM 1079 H LEU A 113 4.516 -1.053 1.910 1.00 0.00 H ATOM 1080 N VAL A 114 4.012 -0.549 6.083 1.00 18.88 N ATOM 1081 CA VAL A 114 4.457 -1.162 7.302 1.00 18.05 C ATOM 1082 C VAL A 114 3.222 -1.457 8.140 1.00 18.32 C ATOM 1083 O VAL A 114 2.549 -0.549 8.615 1.00 18.32 O ATOM 1084 CB VAL A 114 5.430 -0.257 8.092 1.00 19.34 C ATOM 1085 CG1 VAL A 114 5.970 -0.994 9.262 1.00 17.75 C ATOM 1086 CG2 VAL A 114 6.447 0.313 7.202 1.00 22.12 C ATOM 1087 H VAL A 114 3.542 0.377 6.138 1.00 0.00 H ATOM 1088 N ASN A 115 3.001 -2.743 8.347 1.00 18.54 N ATOM 1089 CA ASN A 115 1.999 -3.225 9.316 1.00 19.10 C ATOM 1090 C ASN A 115 2.672 -3.414 10.673 1.00 18.42 C ATOM 1091 O ASN A 115 3.684 -4.120 10.769 1.00 19.92 O ATOM 1092 CB ASN A 115 1.395 -4.517 8.814 1.00 20.36 C ATOM 1093 CG ASN A 115 0.361 -4.287 7.684 1.00 24.85 C ATOM 1094 OD1 ASN A 115 -0.712 -3.723 7.910 1.00 28.15 O ATOM 1095 ND2 ASN A 115 0.708 -4.698 6.479 1.00 26.29 N ATOM 1096 HD22 ASN A 115 1.624 -5.170 6.334 1.00 0.00 H ATOM 1097 HD21 ASN A 115 0.066 -4.550 5.674 1.00 0.00 H ATOM 1098 H ASN A 115 3.553 -3.440 7.808 1.00 0.00 H ATOM 1099 N VAL A 116 2.149 -2.772 11.707 1.00 16.68 N ATOM 1100 CA VAL A 116 2.740 -2.768 13.022 1.00 16.24 C ATOM 1101 C VAL A 116 1.785 -3.524 13.934 1.00 16.52 C ATOM 1102 O VAL A 116 0.612 -3.149 14.042 1.00 19.11 O ATOM 1103 CB VAL A 116 2.912 -1.399 13.560 1.00 16.08 C ATOM 1104 CG1 VAL A 116 3.458 -1.500 14.951 1.00 17.22 C ATOM 1105 CG2 VAL A 116 3.877 -0.607 12.702 1.00 18.01 C ATOM 1106 H VAL A 116 1.265 -2.243 11.563 1.00 0.00 H ATOM 1107 N LYS A 117 2.240 -4.603 14.523 1.00 15.59 N ATOM 1108 CA LYS A 117 1.455 -5.353 15.510 1.00 16.43 C ATOM 1109 C LYS A 117 2.070 -5.196 16.856 1.00 14.95 C ATOM 1110 O LYS A 117 3.255 -5.547 17.046 1.00 16.12 O ATOM 1111 CB LYS A 117 1.300 -6.814 15.176 1.00 17.75 C ATOM 1112 CG LYS A 117 0.561 -7.640 16.237 1.00 19.49 C ATOM 1113 CD LYS A 117 0.329 -9.027 15.766 1.00 24.79 C ATOM 1114 CE LYS A 117 1.622 -9.799 15.552 1.00 30.87 C ATOM 1115 NZ LYS A 117 1.244 -11.211 15.535 1.00 33.70 N ATOM 1116 HZ1 LYS A 117 0.800 -11.461 16.442 1.00 0.00 H ATOM 1117 HZ2 LYS A 117 0.571 -11.379 14.760 1.00 0.00 H ATOM 1118 HZ3 LYS A 117 2.093 -11.794 15.391 1.00 0.00 H ATOM 1119 H LYS A 117 3.194 -4.940 14.282 1.00 0.00 H ATOM 1120 N ILE A 118 1.339 -4.705 17.848 1.00 13.86 N ATOM 1121 CA ILE A 118 1.791 -4.593 19.215 1.00 12.81 C ATOM 1122 C ILE A 118 1.121 -5.640 20.065 1.00 13.11 C ATOM 1123 O ILE A 118 -0.112 -5.661 20.119 1.00 15.70 O ATOM 1124 CB ILE A 118 1.550 -3.199 19.747 1.00 17.36 C ATOM 1125 CG1 ILE A 118 2.558 -2.313 19.003 1.00 21.61 C ATOM 1126 CG2 ILE A 118 1.753 -3.161 21.227 1.00 16.90 C ATOM 1127 CD1 ILE A 118 2.273 -0.855 19.008 1.00 23.89 C ATOM 1128 H ILE A 118 0.377 -4.379 17.627 1.00 0.00 H ATOM 1129 N SER A 119 1.821 -6.578 20.623 1.00 13.78 N ATOM 1130 CA SER A 119 1.293 -7.575 21.490 1.00 13.63 C ATOM 1131 C SER A 119 1.591 -7.216 22.900 1.00 13.63 C ATOM 1132 O SER A 119 2.727 -6.925 23.207 1.00 14.82 O ATOM 1133 CB SER A 119 1.814 -8.950 21.126 1.00 14.57 C ATOM 1134 OG SER A 119 1.841 -9.081 19.709 1.00 15.73 O ATOM 1135 HG SER A 119 2.181 -9.979 19.468 1.00 0.00 H ATOM 1136 H SER A 119 2.841 -6.603 20.423 1.00 0.00 H ATOM 1137 N TYR A 120 0.604 -7.170 23.804 1.00 13.63 N ATOM 1138 CA TYR A 120 0.788 -6.605 25.106 1.00 12.86 C ATOM 1139 C TYR A 120 -0.160 -7.220 26.157 1.00 14.50 C ATOM 1140 O TYR A 120 -1.238 -7.802 25.817 1.00 15.41 O ATOM 1141 CB TYR A 120 0.572 -5.087 25.071 1.00 14.12 C ATOM 1142 CG TYR A 120 -0.903 -4.745 24.891 1.00 14.21 C ATOM 1143 CD1 TYR A 120 -1.485 -4.774 23.646 1.00 14.91 C ATOM 1144 CD2 TYR A 120 -1.685 -4.392 25.966 1.00 15.05 C ATOM 1145 CE1 TYR A 120 -2.834 -4.529 23.475 1.00 17.25 C ATOM 1146 CE2 TYR A 120 -3.089 -4.167 25.804 1.00 16.58 C ATOM 1147 CZ TYR A 120 -3.577 -4.203 24.564 1.00 17.51 C ATOM 1148 OH TYR A 120 -4.931 -3.953 24.386 1.00 20.50 O ATOM 1149 HH TYR A 120 -5.145 -3.046 24.720 1.00 0.00 H ATOM 1150 H TYR A 120 -0.327 -7.558 23.551 1.00 0.00 H ATOM 1151 N ASP A 121 0.199 -7.037 27.412 1.00 16.34 N ATOM 1152 CA ASP A 121 -0.722 -7.301 28.575 1.00 16.83 C ATOM 1153 C ASP A 121 -0.276 -6.416 29.719 1.00 18.44 C ATOM 1154 O ASP A 121 0.867 -5.987 29.730 1.00 18.11 O ATOM 1155 CB ASP A 121 -0.684 -8.805 28.903 1.00 17.22 C ATOM 1156 CG ASP A 121 -1.884 -9.306 29.727 1.00 21.14 C ATOM 1157 OD1 ASP A 121 -2.809 -8.529 30.013 1.00 21.64 O ATOM 1158 OD2 ASP A 121 -1.888 -10.513 30.065 1.00 23.48 O ATOM 1159 H ASP A 121 1.161 -6.695 27.608 1.00 0.00 H ATOM 1160 N HIS A 122 -1.177 -6.177 30.661 1.00 20.45 N ATOM 1161 CA HIS A 122 -0.969 -5.312 31.800 1.00 20.27 C ATOM 1162 C HIS A 122 -1.095 -6.135 33.064 1.00 20.34 C ATOM 1163 O HIS A 122 -1.770 -7.168 33.076 1.00 19.60 O ATOM 1164 CB HIS A 122 -2.038 -4.208 31.837 1.00 20.09 C ATOM 1165 CG HIS A 122 -1.859 -3.150 30.797 1.00 19.74 C ATOM 1166 ND1 HIS A 122 -2.559 -3.128 29.610 1.00 21.43 N ATOM 1167 CD2 HIS A 122 -0.991 -2.106 30.741 1.00 20.93 C ATOM 1168 CE1 HIS A 122 -2.167 -2.084 28.897 1.00 21.16 C ATOM 1169 NE2 HIS A 122 -1.217 -1.448 29.559 1.00 21.63 N ATOM 1170 H HIS A 122 -2.101 -6.646 30.574 1.00 0.00 H ATOM 1171 N ASP A 123 -0.446 -5.675 34.123 1.00 23.80 N ATOM 1172 CA ASP A 123 -0.762 -6.107 35.473 1.00 27.91 C ATOM 1173 C ASP A 123 -1.607 -5.004 36.117 1.00 26.31 C ATOM 1174 O ASP A 123 -1.125 -3.866 36.313 1.00 25.15 O ATOM 1175 CB ASP A 123 0.544 -6.299 36.261 1.00 33.37 C ATOM 1176 CG ASP A 123 0.303 -6.741 37.700 1.00 37.27 C ATOM 1177 OD1 ASP A 123 -0.581 -6.185 38.361 1.00 39.61 O ATOM 1178 OD2 ASP A 123 0.988 -7.658 38.189 1.00 38.71 O ATOM 1179 H ASP A 123 0.316 -4.981 33.983 1.00 0.00 H ATOM 1180 N SER A 124 -2.850 -5.321 36.479 1.00 27.52 N ATOM 1181 CA SER A 124 -3.785 -4.300 36.965 1.00 27.39 C ATOM 1182 C SER A 124 -3.444 -3.782 38.374 1.00 27.66 C ATOM 1183 O SER A 124 -4.007 -2.791 38.795 1.00 28.15 O ATOM 1184 CB SER A 124 -5.219 -4.862 36.996 1.00 29.82 C ATOM 1185 OG SER A 124 -5.332 -5.825 38.041 1.00 33.99 O ATOM 1186 HG SER A 124 -5.128 -5.394 38.909 1.00 0.00 H ATOM 1187 H SER A 124 -3.163 -6.311 36.416 1.00 0.00 H ATOM 1188 N ASP A 125 -2.480 -4.392 39.066 1.00 26.94 N ATOM 1189 CA ASP A 125 -2.152 -3.956 40.414 1.00 26.25 C ATOM 1190 C ASP A 125 -1.130 -2.798 40.359 1.00 22.72 C ATOM 1191 O ASP A 125 -0.848 -2.180 41.360 1.00 21.74 O ATOM 1192 CB ASP A 125 -1.555 -5.099 41.230 1.00 29.74 C ATOM 1193 CG ASP A 125 -2.500 -6.269 41.415 1.00 33.69 C ATOM 1194 OD1 ASP A 125 -3.684 -6.058 41.761 1.00 33.43 O ATOM 1195 OD2 ASP A 125 -2.024 -7.418 41.268 1.00 36.85 O ATOM 1196 H ASP A 125 -1.960 -5.185 38.639 1.00 0.00 H ATOM 1197 N ILE A 126 -0.595 -2.538 39.168 1.00 21.66 N ATOM 1198 CA ILE A 126 0.350 -1.432 38.936 1.00 21.18 C ATOM 1199 C ILE A 126 -0.473 -0.269 38.390 1.00 20.63 C ATOM 1200 O ILE A 126 -1.216 -0.438 37.416 1.00 20.55 O ATOM 1201 CB ILE A 126 1.468 -1.885 37.986 1.00 22.48 C ATOM 1202 CG1 ILE A 126 2.376 -2.898 38.704 1.00 21.28 C ATOM 1203 CG2 ILE A 126 2.289 -0.687 37.543 1.00 22.98 C ATOM 1204 CD1 ILE A 126 3.376 -3.604 37.779 1.00 21.28 C ATOM 1205 H ILE A 126 -0.856 -3.144 38.364 1.00 0.00 H ATOM 1206 N GLU A 127 -0.404 0.882 39.044 1.00 21.73 N ATOM 1207 CA GLU A 127 -1.314 1.994 38.753 1.00 23.31 C ATOM 1208 C GLU A 127 -0.972 2.743 37.498 1.00 26.14 C ATOM 1209 O GLU A 127 -1.821 3.297 36.838 1.00 28.38 O ATOM 1210 CB GLU A 127 -1.431 2.959 39.924 1.00 26.62 C ATOM 1211 CG GLU A 127 -2.292 2.391 41.037 1.00 30.32 C ATOM 1212 CD GLU A 127 -2.153 3.123 42.374 1.00 37.76 C ATOM 1213 OE1 GLU A 127 -2.776 2.653 43.344 1.00 39.16 O ATOM 1214 OE2 GLU A 127 -1.455 4.166 42.457 1.00 39.90 O ATOM 1215 H GLU A 127 0.316 1.000 39.785 1.00 0.00 H ATOM 1216 N GLU A 128 0.280 2.746 37.124 1.00 24.97 N ATOM 1217 CA GLU A 128 0.653 3.420 35.892 1.00 26.39 C ATOM 1218 C GLU A 128 0.051 2.746 34.686 1.00 30.67 C ATOM 1219 O GLU A 128 0.099 1.518 34.553 1.00 31.58 O ATOM 1220 CB GLU A 128 2.177 3.394 35.745 1.00 26.00 C ATOM 1221 CG GLU A 128 2.695 4.148 34.485 1.00 26.84 C ATOM 1222 CD GLU A 128 4.233 4.149 34.341 1.00 27.95 C ATOM 1223 OE1 GLU A 128 4.914 3.541 35.191 1.00 26.52 O ATOM 1224 OE2 GLU A 128 4.776 4.747 33.366 1.00 27.82 O ATOM 1225 H GLU A 128 1.002 2.271 37.702 1.00 0.00 H ATOM 1226 N LYS A 129 -0.561 3.538 33.824 1.00 33.08 N ATOM 1227 CA LYS A 129 -1.272 2.977 32.681 1.00 36.51 C ATOM 1228 C LYS A 129 -0.563 3.465 31.426 1.00 35.60 C ATOM 1229 O LYS A 129 -0.244 4.651 31.286 1.00 37.31 O ATOM 1230 CB LYS A 129 -2.764 3.374 32.666 1.00 40.38 C ATOM 1231 CG LYS A 129 -3.655 2.498 31.697 1.00 44.38 C ATOM 1232 CD LYS A 129 -4.879 3.244 30.978 1.00 44.44 C ATOM 1233 CE LYS A 129 -5.684 4.185 31.905 1.00 47.32 C ATOM 1234 NZ LYS A 129 -6.431 3.502 33.043 1.00 48.69 N ATOM 1235 HZ1 LYS A 129 -7.113 2.822 32.650 1.00 0.00 H ATOM 1236 HZ2 LYS A 129 -5.752 3.001 33.651 1.00 0.00 H ATOM 1237 HZ3 LYS A 129 -6.937 4.218 33.603 1.00 0.00 H ATOM 1238 H LYS A 129 -0.536 4.569 33.961 1.00 0.00 H ATOM 1239 N VAL A 130 -0.273 2.537 30.537 1.00 31.71 N ATOM 1240 CA VAL A 130 0.355 2.873 29.275 1.00 29.21 C ATOM 1241 C VAL A 130 -0.418 2.046 28.290 1.00 26.92 C ATOM 1242 O VAL A 130 -0.421 0.835 28.422 1.00 30.21 O ATOM 1243 CB VAL A 130 1.809 2.464 29.300 1.00 32.37 C ATOM 1244 CG1 VAL A 130 2.429 2.481 27.916 1.00 32.02 C ATOM 1245 CG2 VAL A 130 2.581 3.360 30.261 1.00 34.56 C ATOM 1246 H VAL A 130 -0.499 1.543 30.745 1.00 0.00 H ATOM 1247 N THR A 131 -1.077 2.677 27.333 1.00 22.11 N ATOM 1248 CA THR A 131 -1.961 2.007 26.397 1.00 21.88 C ATOM 1249 C THR A 131 -1.254 1.671 25.113 1.00 20.11 C ATOM 1250 O THR A 131 -0.242 2.308 24.794 1.00 19.38 O ATOM 1251 CB THR A 131 -3.117 2.944 26.021 1.00 23.76 C ATOM 1252 OG1 THR A 131 -2.595 4.094 25.348 1.00 23.77 O ATOM 1253 CG2 THR A 131 -3.857 3.388 27.267 1.00 27.24 C ATOM 1254 HG1 THR A 131 -2.120 3.808 24.528 1.00 0.00 H ATOM 1255 H THR A 131 -0.956 3.706 27.247 1.00 0.00 H ATOM 1256 N PRO A 132 -1.750 0.672 24.361 1.00 20.74 N ATOM 1257 CA PRO A 132 -1.059 0.395 23.094 1.00 20.27 C ATOM 1258 C PRO A 132 -1.320 1.529 22.097 1.00 19.55 C ATOM 1259 O PRO A 132 -0.556 1.694 21.162 1.00 20.31 O ATOM 1260 CB PRO A 132 -1.715 -0.928 22.632 1.00 20.91 C ATOM 1261 CG PRO A 132 -3.077 -0.923 23.290 1.00 22.18 C ATOM 1262 CD PRO A 132 -2.781 -0.347 24.645 1.00 22.25 C ATOM 1263 N THR A 133 -2.391 2.322 22.249 1.00 20.58 N ATOM 1264 CA THR A 133 -2.507 3.548 21.465 1.00 21.28 C ATOM 1265 C THR A 133 -1.263 4.447 21.646 1.00 21.55 C ATOM 1266 O THR A 133 -0.680 5.025 20.685 1.00 22.21 O ATOM 1267 CB THR A 133 -3.786 4.316 21.820 1.00 21.87 C ATOM 1268 OG1 THR A 133 -4.922 3.489 21.511 1.00 25.08 O ATOM 1269 CG2 THR A 133 -3.861 5.643 21.023 1.00 21.81 C ATOM 1270 HG1 THR A 133 -4.874 2.653 22.039 1.00 0.00 H ATOM 1271 H THR A 133 -3.138 2.064 22.925 1.00 0.00 H ATOM 1272 N LYS A 134 -0.816 4.569 22.874 1.00 21.17 N ATOM 1273 CA LYS A 134 0.241 5.502 23.143 1.00 19.47 C ATOM 1274 C LYS A 134 1.552 4.893 22.648 1.00 18.46 C ATOM 1275 O LYS A 134 2.324 5.559 21.992 1.00 18.61 O ATOM 1276 CB LYS A 134 0.298 5.772 24.622 1.00 21.13 C ATOM 1277 CG LYS A 134 1.496 6.610 25.090 1.00 25.88 C ATOM 1278 CD LYS A 134 1.137 8.102 24.982 1.00 29.47 C ATOM 1279 CE LYS A 134 2.358 9.015 25.206 1.00 33.67 C ATOM 1280 NZ LYS A 134 2.755 8.972 26.610 1.00 36.76 N ATOM 1281 HZ1 LYS A 134 1.966 9.300 27.202 1.00 0.00 H ATOM 1282 HZ2 LYS A 134 3.002 7.996 26.869 1.00 0.00 H ATOM 1283 HZ3 LYS A 134 3.579 9.590 26.755 1.00 0.00 H ATOM 1284 H LYS A 134 -1.222 3.997 23.642 1.00 0.00 H ATOM 1285 N THR A 135 1.751 3.609 22.895 1.00 15.95 N ATOM 1286 CA THR A 135 3.027 2.991 22.528 1.00 14.55 C ATOM 1287 C THR A 135 3.085 2.865 20.989 1.00 17.10 C ATOM 1288 O THR A 135 4.118 3.082 20.358 1.00 17.45 O ATOM 1289 CB THR A 135 3.237 1.669 23.187 1.00 16.23 C ATOM 1290 OG1 THR A 135 2.338 0.699 22.669 1.00 17.06 O ATOM 1291 CG2 THR A 135 3.110 1.761 24.657 1.00 16.29 C ATOM 1292 HG1 THR A 135 2.495 -0.168 23.120 1.00 0.00 H ATOM 1293 H THR A 135 1.006 3.042 23.347 1.00 0.00 H ATOM 1294 N SER A 136 1.976 2.545 20.362 1.00 17.02 N ATOM 1295 CA SER A 136 1.984 2.527 18.928 1.00 18.81 C ATOM 1296 C SER A 136 2.374 3.892 18.339 1.00 18.63 C ATOM 1297 O SER A 136 3.020 3.959 17.286 1.00 17.07 O ATOM 1298 CB SER A 136 0.636 2.082 18.376 1.00 20.11 C ATOM 1299 OG SER A 136 -0.354 3.086 18.489 1.00 20.89 O ATOM 1300 HG SER A 136 -0.477 3.321 19.443 1.00 0.00 H ATOM 1301 H SER A 136 1.113 2.310 20.893 1.00 0.00 H ATOM 1302 N GLN A 137 1.937 4.970 18.952 1.00 17.96 N ATOM 1303 CA GLN A 137 2.276 6.300 18.455 1.00 18.89 C ATOM 1304 C GLN A 137 3.784 6.544 18.439 1.00 18.32 C ATOM 1305 O GLN A 137 4.321 7.257 17.586 1.00 19.87 O ATOM 1306 CB GLN A 137 1.573 7.335 19.298 1.00 21.46 C ATOM 1307 CG GLN A 137 0.133 7.488 18.901 1.00 22.85 C ATOM 1308 CD GLN A 137 -0.690 8.227 19.933 1.00 24.15 C ATOM 1309 OE1 GLN A 137 -0.201 8.633 20.980 1.00 24.02 O ATOM 1310 NE2 GLN A 137 -1.946 8.386 19.641 1.00 24.88 N ATOM 1311 HE22 GLN A 137 -2.320 8.025 18.740 1.00 0.00 H ATOM 1312 HE21 GLN A 137 -2.577 8.874 20.308 1.00 0.00 H ATOM 1313 H GLN A 137 1.343 4.874 19.800 1.00 0.00 H ATOM 1314 N SER A 138 4.457 5.981 19.424 1.00 17.79 N ATOM 1315 CA SER A 138 5.894 6.133 19.544 1.00 18.61 C ATOM 1316 C SER A 138 6.528 5.359 18.438 1.00 17.09 C ATOM 1317 O SER A 138 7.479 5.851 17.791 1.00 19.03 O ATOM 1318 CB SER A 138 6.422 5.668 20.902 1.00 21.65 C ATOM 1319 OG SER A 138 6.097 6.596 21.889 1.00 26.25 O ATOM 1320 HG SER A 138 6.444 6.283 22.762 1.00 0.00 H ATOM 1321 H SER A 138 3.945 5.415 20.131 1.00 0.00 H ATOM 1322 N THR A 139 6.014 4.158 18.169 1.00 15.84 N ATOM 1323 CA THR A 139 6.580 3.386 17.084 1.00 14.93 C ATOM 1324 C THR A 139 6.400 4.055 15.722 1.00 15.47 C ATOM 1325 O THR A 139 7.293 4.050 14.872 1.00 15.92 O ATOM 1326 CB THR A 139 5.949 1.954 17.011 1.00 14.25 C ATOM 1327 OG1 THR A 139 6.130 1.265 18.249 1.00 16.44 O ATOM 1328 CG2 THR A 139 6.409 1.166 15.806 1.00 13.90 C ATOM 1329 HG1 THR A 139 7.098 1.182 18.441 1.00 0.00 H ATOM 1330 H THR A 139 5.221 3.783 18.729 1.00 0.00 H ATOM 1331 N LEU A 140 5.202 4.594 15.489 1.00 15.27 N ATOM 1332 CA LEU A 140 4.974 5.328 14.250 1.00 16.74 C ATOM 1333 C LEU A 140 5.893 6.551 14.089 1.00 18.12 C ATOM 1334 O LEU A 140 6.371 6.819 13.023 1.00 18.73 O ATOM 1335 CB LEU A 140 3.473 5.688 14.097 1.00 17.53 C ATOM 1336 CG LEU A 140 2.513 4.507 13.921 1.00 20.48 C ATOM 1337 CD1 LEU A 140 0.996 4.921 14.014 1.00 22.07 C ATOM 1338 CD2 LEU A 140 2.786 3.796 12.628 1.00 22.03 C ATOM 1339 H LEU A 140 4.437 4.491 16.186 1.00 0.00 H ATOM 1340 N MET A 141 6.109 7.300 15.144 1.00 19.15 N ATOM 1341 CA MET A 141 7.009 8.445 15.129 1.00 18.97 C ATOM 1342 C MET A 141 8.396 7.960 14.706 1.00 19.47 C ATOM 1343 O MET A 141 9.015 8.524 13.806 1.00 20.65 O ATOM 1344 CB MET A 141 6.978 9.093 16.525 1.00 20.66 C ATOM 1345 CG MET A 141 7.915 10.243 16.753 1.00 23.04 C ATOM 1346 SD MET A 141 9.584 9.718 17.031 1.00 22.78 S ATOM 1347 CE MET A 141 9.461 8.911 18.648 1.00 22.44 C ATOM 1348 H MET A 141 5.616 7.066 16.029 1.00 0.00 H ATOM 1349 N TYR A 142 8.861 6.868 15.315 1.00 18.70 N ATOM 1350 CA TYR A 142 10.132 6.274 14.910 1.00 16.97 C ATOM 1351 C TYR A 142 10.133 5.935 13.401 1.00 15.38 C ATOM 1352 O TYR A 142 11.132 6.234 12.702 1.00 17.55 O ATOM 1353 CB TYR A 142 10.429 5.032 15.747 1.00 17.97 C ATOM 1354 CG TYR A 142 11.475 4.049 15.215 1.00 19.78 C ATOM 1355 CD1 TYR A 142 12.773 4.421 14.899 1.00 19.91 C ATOM 1356 CD2 TYR A 142 11.177 2.704 15.126 1.00 19.31 C ATOM 1357 CE1 TYR A 142 13.716 3.459 14.451 1.00 20.53 C ATOM 1358 CE2 TYR A 142 12.081 1.793 14.661 1.00 20.60 C ATOM 1359 CZ TYR A 142 13.336 2.144 14.348 1.00 22.71 C ATOM 1360 OH TYR A 142 14.150 1.101 13.936 1.00 24.29 O ATOM 1361 HH TYR A 142 14.215 0.429 14.660 1.00 0.00 H ATOM 1362 H TYR A 142 8.313 6.435 16.086 1.00 0.00 H ATOM 1363 N LEU A 143 9.049 5.343 12.891 1.00 15.53 N ATOM 1364 CA LEU A 143 9.008 5.013 11.479 1.00 15.95 C ATOM 1365 C LEU A 143 9.091 6.256 10.619 1.00 19.59 C ATOM 1366 O LEU A 143 9.743 6.244 9.562 1.00 18.79 O ATOM 1367 CB LEU A 143 7.775 4.155 11.151 1.00 17.39 C ATOM 1368 CG LEU A 143 7.906 2.801 11.809 1.00 17.11 C ATOM 1369 CD1 LEU A 143 6.528 2.192 11.738 1.00 19.57 C ATOM 1370 CD2 LEU A 143 8.941 1.887 11.111 1.00 19.73 C ATOM 1371 H LEU A 143 8.239 5.120 13.503 1.00 0.00 H ATOM 1372 N ARG A 144 8.437 7.328 11.025 1.00 19.86 N ATOM 1373 CA ARG A 144 8.414 8.520 10.234 1.00 21.83 C ATOM 1374 C ARG A 144 9.811 9.140 10.224 1.00 21.94 C ATOM 1375 O ARG A 144 10.275 9.688 9.207 1.00 22.92 O ATOM 1376 CB ARG A 144 7.365 9.467 10.818 1.00 25.64 C ATOM 1377 CG ARG A 144 6.922 10.521 9.873 1.00 31.18 C ATOM 1378 CD ARG A 144 5.496 10.239 9.362 1.00 37.15 C ATOM 1379 NE ARG A 144 5.468 9.523 8.085 1.00 41.25 N ATOM 1380 CZ ARG A 144 4.463 8.757 7.668 1.00 43.61 C ATOM 1381 NH1 ARG A 144 3.391 8.563 8.436 1.00 42.56 N ATOM 1382 NH2 ARG A 144 4.548 8.164 6.485 1.00 45.00 N ATOM 1383 HE ARG A 144 6.293 9.620 7.459 1.00 0.00 H ATOM 1384 HH12 ARG A 144 2.612 7.962 8.099 1.00 0.00 H ATOM 1385 HH11 ARG A 144 3.334 9.012 9.372 1.00 0.00 H ATOM 1386 HH22 ARG A 144 3.769 7.563 6.148 1.00 0.00 H ATOM 1387 HH21 ARG A 144 5.393 8.300 5.895 1.00 0.00 H ATOM 1388 H ARG A 144 7.931 7.306 11.933 1.00 0.00 H ATOM 1389 N ARG A 145 10.461 9.104 11.363 1.00 22.71 N ATOM 1390 CA ARG A 145 11.855 9.539 11.378 1.00 21.93 C ATOM 1391 C ARG A 145 12.738 8.727 10.500 1.00 23.08 C ATOM 1392 O ARG A 145 13.664 9.298 9.852 1.00 26.05 O ATOM 1393 CB ARG A 145 12.368 9.527 12.777 1.00 23.73 C ATOM 1394 CG ARG A 145 11.855 10.721 13.530 1.00 26.80 C ATOM 1395 CD ARG A 145 12.462 10.750 14.891 1.00 29.30 C ATOM 1396 NE ARG A 145 12.239 12.037 15.507 1.00 30.32 N ATOM 1397 CZ ARG A 145 13.177 12.942 15.778 1.00 28.46 C ATOM 1398 NH1 ARG A 145 14.461 12.726 15.515 1.00 29.75 N ATOM 1399 NH2 ARG A 145 12.808 14.064 16.355 1.00 27.48 N ATOM 1400 HE ARG A 145 11.260 12.278 15.761 1.00 0.00 H ATOM 1401 HH12 ARG A 145 15.168 13.455 15.740 1.00 0.00 H ATOM 1402 HH11 ARG A 145 14.760 11.828 15.084 1.00 0.00 H ATOM 1403 HH22 ARG A 145 13.517 14.791 16.580 1.00 0.00 H ATOM 1404 HH21 ARG A 145 11.807 14.225 16.587 1.00 0.00 H ATOM 1405 H ARG A 145 9.996 8.774 12.233 1.00 0.00 H ATOM 1406 N LEU A 146 12.524 7.417 10.506 1.00 25.25 N ATOM 1407 CA LEU A 146 13.313 6.545 9.627 1.00 25.15 C ATOM 1408 C LEU A 146 13.059 6.948 8.189 1.00 25.38 C ATOM 1409 O LEU A 146 14.000 7.082 7.409 1.00 27.26 O ATOM 1410 CB LEU A 146 12.887 5.090 9.862 1.00 24.62 C ATOM 1411 CG LEU A 146 13.781 3.885 9.886 1.00 26.80 C ATOM 1412 CD1 LEU A 146 15.072 4.273 10.528 1.00 26.84 C ATOM 1413 CD2 LEU A 146 13.049 2.760 10.627 1.00 28.06 C ATOM 1414 H LEU A 146 11.800 7.010 11.131 1.00 0.00 H ATOM 1415 N GLU A 147 11.814 7.165 7.793 1.00 24.29 N ATOM 1416 CA GLU A 147 11.456 7.700 6.471 1.00 27.52 C ATOM 1417 C GLU A 147 12.238 8.948 6.058 1.00 27.75 C ATOM 1418 O GLU A 147 12.693 9.072 4.887 1.00 28.32 O ATOM 1419 CB GLU A 147 9.952 8.017 6.425 1.00 27.20 C ATOM 1420 CG GLU A 147 9.401 8.430 5.046 1.00 27.49 C ATOM 1421 CD GLU A 147 7.925 8.889 5.067 1.00 30.19 C ATOM 1422 OE1 GLU A 147 7.462 9.529 6.039 1.00 30.05 O ATOM 1423 OE2 GLU A 147 7.210 8.609 4.080 1.00 31.66 O ATOM 1424 H GLU A 147 11.044 6.944 8.456 1.00 0.00 H ATOM 1425 N ARG A 148 12.407 9.872 6.996 1.00 28.33 N ATOM 1426 CA ARG A 148 13.102 11.117 6.704 1.00 29.31 C ATOM 1427 C ARG A 148 14.583 10.800 6.552 1.00 30.21 C ATOM 1428 O ARG A 148 15.285 11.354 5.695 1.00 31.96 O ATOM 1429 CB ARG A 148 12.864 12.153 7.790 1.00 31.97 C ATOM 1430 CG ARG A 148 11.529 12.858 7.616 1.00 37.20 C ATOM 1431 CD ARG A 148 11.269 13.912 8.679 1.00 43.10 C ATOM 1432 NE ARG A 148 10.963 13.310 9.983 1.00 47.67 N ATOM 1433 CZ ARG A 148 9.763 13.281 10.593 1.00 49.17 C ATOM 1434 NH1 ARG A 148 8.680 13.849 10.066 1.00 49.94 N ATOM 1435 NH2 ARG A 148 9.647 12.678 11.766 1.00 49.04 N ATOM 1436 HE ARG A 148 11.754 12.860 10.487 1.00 0.00 H ATOM 1437 HH12 ARG A 148 7.772 13.804 10.570 1.00 0.00 H ATOM 1438 HH11 ARG A 148 8.743 14.338 9.150 1.00 0.00 H ATOM 1439 HH22 ARG A 148 8.725 12.649 12.247 1.00 0.00 H ATOM 1440 HH21 ARG A 148 10.478 12.233 12.206 1.00 0.00 H ATOM 1441 H ARG A 148 12.037 9.704 7.953 1.00 0.00 H ATOM 1442 N TYR A 149 15.067 9.887 7.362 1.00 29.86 N ATOM 1443 CA TYR A 149 16.488 9.543 7.285 1.00 31.01 C ATOM 1444 C TYR A 149 16.836 8.900 5.957 1.00 31.27 C ATOM 1445 O TYR A 149 17.884 9.248 5.375 1.00 32.22 O ATOM 1446 CB TYR A 149 16.801 8.627 8.443 1.00 33.55 C ATOM 1447 CG TYR A 149 18.184 8.035 8.489 1.00 34.70 C ATOM 1448 CD1 TYR A 149 19.278 8.814 8.820 1.00 35.92 C ATOM 1449 CD2 TYR A 149 18.374 6.678 8.306 1.00 32.89 C ATOM 1450 CE1 TYR A 149 20.542 8.258 8.884 1.00 36.20 C ATOM 1451 CE2 TYR A 149 19.597 6.126 8.388 1.00 34.39 C ATOM 1452 CZ TYR A 149 20.669 6.899 8.676 1.00 36.45 C ATOM 1453 OH TYR A 149 21.883 6.264 8.741 1.00 39.30 O ATOM 1454 HH TYR A 149 22.588 6.924 8.957 1.00 0.00 H ATOM 1455 H TYR A 149 14.448 9.413 8.051 1.00 0.00 H ATOM 1456 N LEU A 150 16.000 8.002 5.455 1.00 33.19 N ATOM 1457 CA LEU A 150 16.258 7.254 4.232 1.00 36.27 C ATOM 1458 C LEU A 150 16.042 8.121 2.995 1.00 41.12 C ATOM 1459 O LEU A 150 16.542 7.798 1.923 1.00 40.79 O ATOM 1460 CB LEU A 150 15.341 6.031 4.144 1.00 34.37 C ATOM 1461 CG LEU A 150 15.740 4.692 4.783 1.00 34.77 C ATOM 1462 CD1 LEU A 150 16.465 4.888 6.087 1.00 35.82 C ATOM 1463 CD2 LEU A 150 14.519 3.753 5.014 1.00 33.82 C ATOM 1464 H LEU A 150 15.110 7.821 5.963 1.00 0.00 H ATOM 1465 N SER A 151 15.315 9.223 3.151 1.00 46.18 N ATOM 1466 CA SER A 151 14.906 10.050 2.019 1.00 52.26 C ATOM 1467 C SER A 151 15.729 11.339 1.906 1.00 58.53 C ATOM 1468 O SER A 151 15.360 12.258 1.180 1.00 60.44 O ATOM 1469 CB SER A 151 13.396 10.351 2.092 1.00 53.33 C ATOM 1470 OG SER A 151 12.629 9.205 1.720 1.00 54.07 O ATOM 1471 HG SER A 151 12.857 8.943 0.793 1.00 0.00 H ATOM 1472 H SER A 151 15.028 9.505 4.110 1.00 0.00 H ATOM 1473 N ASN A 152 16.867 11.396 2.591 1.00 62.67 N ATOM 1474 CA ASN A 152 17.874 12.428 2.317 1.00 65.71 C ATOM 1475 C ASN A 152 19.174 11.789 1.788 1.00 66.19 C ATOM 1476 O ASN A 152 19.391 10.565 1.911 1.00 66.63 O ATOM 1477 CB ASN A 152 18.148 13.257 3.568 1.00 67.48 C ATOM 1478 CG ASN A 152 18.589 12.401 4.749 1.00 68.71 C ATOM 1479 OD1 ASN A 152 19.375 11.465 4.589 1.00 68.99 O ATOM 1480 ND2 ASN A 152 18.097 12.723 5.950 1.00 68.94 N ATOM 1481 HD22 ASN A 152 17.436 13.520 6.044 1.00 0.00 H ATOM 1482 HD21 ASN A 152 18.376 12.176 6.790 1.00 0.00 H ATOM 1483 H ASN A 152 17.048 10.694 3.337 1.00 0.00 H TER 1484 ASN A 152 HETATM 1485 O HOH 1 9.471 -1.188 22.774 1.00 19.83 O HETATM 1486 O HOH 2 9.756 -0.369 25.582 1.00 21.01 O HETATM 1487 O HOH 3 7.435 -9.323 26.982 1.00 19.00 O HETATM 1488 O HOH 4 3.851 -8.112 18.188 1.00 16.99 O HETATM 1489 O HOH 5 6.367 -11.609 15.724 1.00 22.72 O HETATM 1490 O HOH 6 6.180 -0.887 19.949 1.00 17.82 O HETATM 1491 O HOH 7 6.640 2.271 21.346 1.00 22.61 O HETATM 1492 O HOH 8 9.315 -3.880 21.626 1.00 20.62 O HETATM 1493 O HOH 9 7.461 -13.443 17.560 1.00 21.67 O HETATM 1494 O HOH 10 8.545 -0.722 -1.827 1.00 26.80 O HETATM 1495 O HOH 11 20.725 -16.049 17.568 1.00 33.91 O HETATM 1496 O HOH 12 7.692 3.343 35.748 1.00 21.67 O HETATM 1497 O HOH 13 3.259 -12.805 21.078 1.00 31.98 O HETATM 1498 O HOH 14 17.181 -10.282 5.438 1.00 30.43 O HETATM 1499 O HOH 15 -6.146 -11.885 22.530 1.00 34.49 O HETATM 1500 O HOH 16 21.117 2.747 30.976 1.00 22.01 O HETATM 1501 O HOH 17 -0.217 -5.682 11.951 1.00 28.24 O HETATM 1502 O HOH 18 10.215 2.546 28.213 1.00 30.61 O HETATM 1503 O HOH 19 23.482 14.064 29.718 1.00 30.05 O HETATM 1504 O HOH 20 -5.310 1.588 23.471 1.00 24.15 O HETATM 1505 O HOH 21 16.999 -16.298 12.607 1.00 28.12 O HETATM 1506 O HOH 22 2.883 -4.884 5.049 1.00 25.48 O HETATM 1507 O HOH 23 -1.334 -4.017 10.690 1.00 26.11 O HETATM 1508 O HOH 24 -6.562 -5.201 40.705 1.00 35.42 O HETATM 1509 O HOH 25 5.738 -7.063 -1.011 1.00 44.72 O HETATM 1510 O HOH 26 1.513 -11.549 18.964 1.00 28.52 O HETATM 1511 O HOH 27 2.675 -6.796 11.872 1.00 25.17 O HETATM 1512 O HOH 28 23.610 -0.548 24.543 1.00 22.78 O HETATM 1513 O HOH 29 17.114 -5.530 2.786 1.00 38.48 O HETATM 1514 O HOH 30 21.460 5.411 30.322 1.00 28.64 O HETATM 1515 O HOH 31 20.136 -11.414 28.254 1.00 33.60 O HETATM 1516 O HOH 32 12.047 4.686 28.477 1.00 31.57 O HETATM 1517 O HOH 33 13.160 -2.755 -2.558 1.00 26.27 O HETATM 1518 O HOH 34 -1.658 -14.766 26.536 1.00 24.20 O HETATM 1519 O HOH 35 24.670 1.945 18.884 1.00 35.10 O HETATM 1520 O HOH 36 7.096 -10.491 29.387 1.00 26.74 O HETATM 1521 O HOH 37 25.862 -4.861 18.454 1.00 26.98 O HETATM 1522 O HOH 38 7.850 -14.416 22.017 1.00 39.92 O HETATM 1523 O HOH 39 11.113 -17.171 19.131 1.00 34.62 O HETATM 1524 O HOH 40 10.628 2.360 25.509 1.00 32.94 O HETATM 1525 O HOH 41 8.597 11.597 7.435 1.00 43.99 O HETATM 1526 O HOH 42 27.590 -0.409 22.153 1.00 37.66 O HETATM 1527 O HOH 43 1.282 -3.645 0.128 1.00 34.20 O HETATM 1528 O HOH 44 14.684 5.225 35.843 1.00 44.10 O HETATM 1529 O HOH 45 2.359 -9.462 11.833 1.00 33.92 O HETATM 1530 O HOH 46 13.320 -16.474 20.936 1.00 42.83 O HETATM 1531 O HOH 47 21.530 12.092 14.664 1.00 34.69 O HETATM 1532 O HOH 48 27.250 -2.534 18.887 1.00 44.92 O HETATM 1533 O HOH 49 -6.726 -7.249 17.479 1.00 38.27 O HETATM 1534 O HOH 50 -0.752 -9.874 32.909 1.00 48.56 O HETATM 1535 O HOH 51 7.091 -8.365 1.542 1.00 37.48 O HETATM 1536 O HOH 52 -1.855 -2.350 43.999 1.00 32.34 O HETATM 1537 O HOH 53 6.677 1.234 -8.915 1.00 43.66 O HETATM 1538 O HOH 54 5.102 5.337 24.372 1.00 29.49 O HETATM 1539 O HOH 55 3.752 9.829 13.301 1.00 40.25 O HETATM 1540 O HOH 56 0.791 0.414 32.516 1.00 33.75 O HETATM 1541 O HOH 57 14.970 -14.830 26.571 1.00 42.62 O HETATM 1542 O HOH 58 13.124 6.698 -0.442 1.00 42.66 O HETATM 1543 O HOH 59 20.043 8.222 4.266 1.00 41.03 O HETATM 1544 O HOH 60 8.450 11.437 13.235 1.00 30.47 O HETATM 1545 O HOH 61 18.352 -4.078 35.388 1.00 40.61 O HETATM 1546 O HOH 62 7.120 -9.261 32.859 1.00 44.97 O HETATM 1547 O HOH 63 14.031 -1.918 14.191 1.00 38.71 O HETATM 1548 O HOH 64 11.875 -5.120 33.539 1.00 38.49 O HETATM 1549 O HOH 65 21.990 10.223 21.299 1.00 30.24 O HETATM 1550 O HOH 66 28.040 -9.317 20.853 1.00 21.49 O HETATM 1551 O HOH 67 7.251 -14.433 27.317 1.00 47.67 O HETATM 1552 O HOH 68 10.148 12.739 18.697 1.00 32.45 O HETATM 1553 O HOH 69 -3.945 -14.289 24.078 1.00 34.01 O HETATM 1554 O HOH 70 8.873 -16.623 20.595 1.00 44.59 O HETATM 1555 O HOH 71 0.098 -8.268 40.529 1.00 40.63 O HETATM 1556 O HOH 72 -1.268 5.657 28.059 1.00 43.91 O HETATM 1557 O HOH 73 -6.189 3.717 19.181 1.00 55.62 O HETATM 1558 O HOH 74 4.747 9.540 3.324 1.00 47.91 O HETATM 1559 O HOH 75 -5.203 1.242 13.409 1.00 52.76 O HETATM 1560 O HOH 76 23.756 11.098 16.507 1.00 24.05 O HETATM 1561 O HOH 77 7.311 4.865 -6.396 1.00 45.04 O HETATM 1562 O HOH 78 2.803 8.906 21.981 1.00 43.39 O HETATM 1563 O HOH 79 -5.647 -0.505 11.775 1.00 40.49 O HETATM 1564 O HOH 80 8.638 4.804 24.158 1.00 48.29 O HETATM 1565 O HOH 81 11.434 -1.237 -3.931 1.00 42.91 O HETATM 1566 O HOH 82 2.859 8.883 15.761 1.00 19.95 O HETATM 1567 O HOH 83 11.367 -16.517 12.404 1.00 33.22 O HETATM 1568 O HOH 84 -6.950 -10.245 29.082 1.00 51.64 O HETATM 1569 O HOH 85 17.772 7.459 33.668 1.00 53.66 O HETATM 1570 O HOH 86 14.468 -16.133 7.535 1.00 54.74 O HETATM 1571 O HOH 87 21.007 6.519 32.927 1.00 46.05 O HETATM 1572 O HOH 88 -0.418 -12.826 15.183 1.00 34.04 O HETATM 1573 O HOH 89 19.404 -8.678 12.439 1.00 28.01 O HETATM 1574 O HOH 90 3.716 -12.471 16.189 1.00 50.47 O HETATM 1575 O HOH 91 12.607 -16.605 5.316 1.00 41.64 O HETATM 1576 O HOH 92 -3.831 -9.549 15.443 1.00 49.66 O HETATM 1577 O HOH 93 20.807 -9.746 10.529 1.00 56.62 O HETATM 1578 O HOH 94 -4.912 -0.444 27.483 1.00 44.02 O HETATM 1579 O HOH 95 19.018 -0.307 3.819 1.00 56.52 O HETATM 1580 O HOH 96 26.494 -14.949 20.968 1.00 42.96 O HETATM 1581 O HOH 97 2.454 -5.514 -3.934 1.00 47.02 O HETATM 1582 O HOH 98 27.972 -15.247 23.666 1.00 50.77 O HETATM 1583 O HOH 99 -6.959 0.138 33.958 1.00 47.84 O HETATM 1584 O HOH 100 -6.432 -3.270 26.530 1.00 40.99 O HETATM 1585 O HOH 101 10.389 6.895 28.809 1.00 39.28 O HETATM 1586 O HOH 102 20.943 -0.371 5.652 1.00 23.04 O HETATM 1587 O HOH 103 21.429 -5.053 4.152 1.00 39.33 O HETATM 1588 O HOH 104 25.005 12.936 32.087 1.00 39.73 O HETATM 1589 O HOH 105 27.204 -17.783 24.266 1.00 53.48 O HETATM 1590 O HOH 106 26.600 -13.986 25.058 1.00 49.78 O HETATM 1591 O HOH 107 19.004 -6.754 4.684 1.00 47.35 O HETATM 1592 O HOH 108 -2.914 6.642 17.508 1.00 55.88 O HETATM 1593 O HOH 109 -2.058 4.519 17.262 1.00 52.96 O HETATM 1594 O HOH 110 11.110 -14.434 24.875 1.00 38.88 O HETATM 1595 O HOH 111 23.948 -7.381 13.801 1.00 58.38 O HETATM 1596 O HOH 112 23.569 9.262 18.349 1.00 49.90 O HETATM 1597 O HOH 113 25.091 5.433 15.176 1.00 43.24 O HETATM 1598 O HOH 114 -4.435 -8.634 32.168 1.00 50.76 O HETATM 1599 O HOH 115 24.211 3.497 10.582 1.00 53.57 O HETATM 1600 O HOH 116 15.706 -17.336 23.405 1.00 45.40 O HETATM 1601 O HOH 117 20.516 12.076 6.713 1.00 58.84 O HETATM 1602 O HOH 118 3.336 6.656 31.851 1.00 41.77 O HETATM 1603 O HOH 119 1.606 -12.364 13.599 1.00 49.06 O HETATM 1604 O HOH 120 10.319 -17.362 14.998 1.00 45.52 O HETATM 1605 O HOH 121 11.450 9.196 30.557 1.00 45.46 O HETATM 1606 O HOH 122 6.962 -15.889 1.892 1.00 44.79 O HETATM 1607 O HOH 123 14.379 4.429 0.189 1.00 36.47 O HETATM 1608 O HOH 124 16.886 4.665 -1.107 1.00 43.36 O HETATM 1609 O HOH 125 22.065 -14.683 15.719 1.00 33.97 O HETATM 1610 O HOH 126 14.621 -16.953 11.298 1.00 44.63 O HETATM 1611 O HOH 127 16.379 -8.786 -2.598 1.00 51.69 O HETATM 1612 O HOH 128 16.207 12.041 13.563 1.00 31.80 O HETATM 1613 O HOH 129 21.641 -16.856 20.120 1.00 52.19 O HETATM 1614 O HOH 130 22.765 -15.557 13.373 1.00 27.97 O HETATM 1615 O HOH 131 16.600 13.213 8.068 1.00 29.32 O HETATM 1616 O HOH 132 7.296 8.006 -3.059 1.00 53.60 O HETATM 1617 O HOH 133 -0.189 6.046 10.371 1.00 34.20 O HETATM 1618 O HOH 134 -2.855 -2.888 6.182 1.00 41.02 O HETATM 1619 O HOH 135 27.924 -10.542 18.228 1.00 40.34 O HETATM 1620 O HOH 136 4.021 -9.099 1.656 1.00 52.07 O HETATM 1621 O HOH 137 18.290 -8.269 7.059 1.00 31.12 O HETATM 1622 O HOH 138 19.914 -12.498 7.983 1.00 51.63 O HETATM 1623 O HOH 139 7.254 -6.321 33.915 1.00 44.26 O HETATM 1624 O HOH 140 15.370 -1.828 -1.820 1.00 68.43 O HETATM 1625 O71 GA A 3 8.373 0.310 20.680 1.00 -0.57 O HETATM 1626 C7 GA A 3 9.168 0.586 19.750 1.00 0.04 C HETATM 1627 O72 GA A 3 8.809 0.883 18.592 1.00 -0.57 O HETATM 1628 C6 GA A 3 10.667 0.605 20.008 1.00 0.01 C HETATM 1629 C5 GA A 3 11.573 0.258 18.818 1.00 -0.01 C HETATM 1630 C10 GA A 3 12.881 0.948 19.252 1.00 0.06 C HETATM 1631 C9 GA A 3 12.524 2.282 19.885 1.00 -0.04 C HETATM 1632 C8 GA A 3 11.067 2.058 20.364 1.00 -0.02 C HETATM 1633 C15 GA A 3 10.196 3.213 19.843 1.00 -0.01 C HETATM 1634 C16 GA A 3 10.578 4.328 20.771 1.00 -0.03 C HETATM 1635 C17 GA A 3 10.449 5.625 20.562 1.00 -0.04 C HETATM 1636 H GA A 3 9.892 5.985 19.698 1.00 0.13 H HETATM 1637 H GA A 3 10.899 6.335 21.254 1.00 0.13 H HETATM 1638 C13 GA A 3 11.345 3.779 21.962 1.00 0.05 C HETATM 1639 C14 GA A 3 11.030 2.275 21.878 1.00 -0.05 C HETATM 1640 H GA A 3 11.793 1.672 22.392 1.00 0.02 H HETATM 1641 H GA A 3 10.039 2.045 22.296 1.00 0.02 H HETATM 1642 O13 GA A 3 11.074 4.412 23.229 1.00 -0.43 O HETATM 1643 H GA A 3 10.151 4.323 23.435 1.00 0.19 H HETATM 1644 C12 GA A 3 12.855 3.947 21.724 1.00 -0.06 C HETATM 1645 C11 GA A 3 13.419 2.691 21.056 1.00 -0.07 C HETATM 1646 H GA A 3 13.457 1.873 21.790 1.00 0.02 H HETATM 1647 H GA A 3 14.434 2.899 20.685 1.00 0.02 H HETATM 1648 H GA A 3 13.361 4.106 22.688 1.00 0.02 H HETATM 1649 H GA A 3 13.027 4.816 21.072 1.00 0.02 H HETATM 1650 H GA A 3 9.125 2.975 19.923 1.00 0.04 H HETATM 1651 H GA A 3 10.440 3.459 18.799 1.00 0.04 H HETATM 1652 H GA A 3 12.564 3.077 19.126 1.00 0.02 H HETATM 1653 O92 GA A 3 13.375 -0.062 20.233 1.00 -0.33 O HETATM 1654 C19 GA A 3 12.944 -1.311 19.906 1.00 0.26 C HETATM 1655 C4 GA A 3 12.064 -1.208 18.680 1.00 0.11 C HETATM 1656 C3 GA A 3 13.015 -1.306 17.457 1.00 0.14 C HETATM 1657 C2 GA A 3 13.988 -0.154 17.395 1.00 0.01 C HETATM 1658 C1 GA A 3 13.917 0.928 18.169 1.00 -0.05 C HETATM 1659 H GA A 3 14.590 1.771 18.020 1.00 0.05 H HETATM 1660 H GA A 3 14.800 -0.211 16.671 1.00 0.16 H HETATM 1661 O31 GA A 3 12.311 -1.298 16.222 1.00 -0.36 O HETATM 1662 H GA A 3 12.927 -1.408 15.507 1.00 0.22 H HETATM 1663 H GA A 3 13.578 -2.247 17.543 1.00 0.10 H HETATM 1664 C18 GA A 3 10.989 -2.295 18.698 1.00 -0.05 C HETATM 1665 H GA A 3 10.353 -2.167 19.587 1.00 0.02 H HETATM 1666 H GA A 3 11.469 -3.284 18.730 1.00 0.02 H HETATM 1667 H GA A 3 10.372 -2.215 17.791 1.00 0.02 H HETATM 1668 O91 GA A 3 13.240 -2.268 20.549 1.00 -0.31 O HETATM 1669 H GA A 3 11.146 0.625 17.873 1.00 0.02 H HETATM 1670 H GA A 3 10.885 -0.080 20.841 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1625 1626 CONECT 1626 1625 1627 1628 CONECT 1627 1626 CONECT 1628 1626 1629 1632 1670 CONECT 1629 1628 1630 1655 1669 CONECT 1630 1629 1631 1653 1658 CONECT 1631 1630 1632 1645 1652 CONECT 1632 1628 1631 1633 1639 CONECT 1633 1632 1634 1650 1651 CONECT 1634 1633 1635 1638 CONECT 1635 1634 1636 1637 CONECT 1636 1635 CONECT 1637 1635 CONECT 1638 1634 1639 1642 1644 CONECT 1639 1632 1638 1640 1641 CONECT 1640 1639 CONECT 1641 1639 CONECT 1642 1638 1643 CONECT 1643 1642 CONECT 1644 1638 1645 1648 1649 CONECT 1645 1631 1644 1646 1647 CONECT 1646 1645 CONECT 1647 1645 CONECT 1648 1644 CONECT 1649 1644 CONECT 1650 1633 CONECT 1651 1633 CONECT 1652 1631 CONECT 1653 1630 1654 CONECT 1654 1653 1655 1668 CONECT 1655 1629 1654 1656 1664 CONECT 1656 1655 1657 1661 1663 CONECT 1657 1656 1658 1660 CONECT 1658 1630 1657 1659 CONECT 1659 1658 CONECT 1660 1657 CONECT 1661 1656 1662 CONECT 1662 1661 CONECT 1663 1656 CONECT 1664 1655 1665 1666 1667 CONECT 1665 1664 CONECT 1666 1664 CONECT 1667 1664 CONECT 1668 1654 CONECT 1669 1629 CONECT 1670 1628 MASTER 0 0 0 0 0 0 0 0 1669 1 50 12 END
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Structure:
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Related entries of code: 4psb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2flh
RCSB PDB
PDBbind
155aa, >2FLH_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4q0k
RCSB PDB
PDBbind
GA3
Entry Information
PDB ID
4psb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cytokinin-specific binding protein PhBP
Ligand Name
GA3
EC.Number
E.C.-.-.-.-
Resolution
1.42(Å)
Affinity (Kd/Ki/IC50)
Kd=23uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 2032-2041
Ligand Properties
Formula
C
1
9
H
2
2
O
6
Molecular Weight
346.374
Exact Mass
346.142
No. of atoms
47
No. of bonds
51
Polar Surface Area
104.06
LOGP Value
1.11 (
Computed with XLOGP3
)
1.03 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O
InChI String
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A1S3THR8
Entrez Gene ID
NCBI Entrez Gene ID:
106755646
ASD
Information of known allosteric effects of PDB entries
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