Browse entries in the PDBbind-CN Database
HEADER 5FAH_COMPLEX COMPND 5FAH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 ILE ILE ASP GLY ALA PRO CYS ALA ARG GLY SER HIS PRO SEQRES 2 A 150 TRP GLN VAL ALA LEU LEU SER GLY ASN GLN LEU HIS CYS SEQRES 3 A 150 GLY GLY VAL LEU VAL ASN GLU ARG TRP VAL LEU THR ALA SEQRES 4 A 150 ALA HIS CYS LYS MET ASN GLU TYR THR VAL HIS LEU GLY SEQRES 5 A 150 SER ASP THR LEU GLY ASP ARG ARG ALA GLN ARG ILE LYS SEQRES 6 A 150 ALA SER LYS SER PHE ARG HIS PRO GLY TYR SER THR GLN SEQRES 7 A 150 THR HIS VAL ASN ASP LEU MET LEU VAL LYS LEU ASN SER SEQRES 8 A 150 GLN ALA ARG LEU SER SER MET VAL LYS LYS VAL ARG LEU SEQRES 9 A 150 PRO SER ARG CYS GLU PRO PRO GLY THR THR CYS THR VAL SEQRES 10 A 150 SER GLY TRP GLY THR THR THR SER PRO ASP VAL THR PHE SEQRES 11 A 150 PRO SER ASP LEU MET CYS VAL ASP VAL LYS LEU ILE SER SEQRES 12 A 150 PRO GLN ASP CYS THR LYS VAL SEQRES 1 A 68 ASN SER MET LEU CYS ALA GLY ILE PRO ASP SER LYS LYS SEQRES 2 A 68 ASN ALA CYS ASN GLY ASP SER GLY GLY PRO LEU VAL CYS SEQRES 3 A 68 ARG GLY THR LEU GLN GLY LEU VAL SER TRP GLY THR PHE SEQRES 4 A 68 PRO CYS GLY GLN PRO ASN ASP PRO GLY VAL TYR THR GLN SEQRES 5 A 68 VAL CYS LYS PHE THR LYS TRP ILE ASN ASP THR MET LYS SEQRES 6 A 68 LYS HIS ARG HET UNN A 442 61 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 22 CYS A 157 SSBOND 3 CYS A 168 CYS A 182 SSBOND 4 CYS A 136 CYS A 201 SSBOND 5 CYS A 191 CYS A 220 SSBOND 6 CYS A 129 CYS A 232 ATOM 1 N ILE A 16 6.670 13.960 33.589 1.00 9.38 N ATOM 2 CA ILE A 16 6.157 13.852 32.204 1.00 8.56 C ATOM 3 C ILE A 16 5.549 15.195 31.794 1.00 9.47 C ATOM 4 O ILE A 16 4.755 15.764 32.539 1.00 9.64 O ATOM 5 CB ILE A 16 5.077 12.730 32.114 1.00 9.74 C ATOM 6 CG1 ILE A 16 5.616 11.346 32.518 1.00 9.33 C ATOM 7 CG2 ILE A 16 4.403 12.683 30.726 1.00 10.97 C ATOM 8 CD1 ILE A 16 6.614 10.709 31.542 1.00 10.68 C ATOM 9 HN3 ILE A 16 5.887 14.202 34.229 1.00 0.00 H ATOM 10 HN2 ILE A 16 7.397 14.703 33.631 1.00 0.00 H ATOM 11 HN1 ILE A 16 7.085 13.051 33.875 1.00 0.00 H ATOM 12 N ILE A 17 5.910 15.681 30.592 1.00 9.91 N ATOM 13 CA ILE A 17 5.392 16.932 30.054 1.00 10.09 C ATOM 14 C ILE A 17 4.306 16.664 29.035 1.00 10.44 C ATOM 15 O ILE A 17 4.504 15.890 28.098 1.00 11.29 O ATOM 16 CB ILE A 17 6.509 17.770 29.380 1.00 11.78 C ATOM 17 CG1 ILE A 17 7.761 17.952 30.275 1.00 12.25 C ATOM 18 CG2 ILE A 17 5.947 19.129 28.885 1.00 12.76 C ATOM 19 CD1 ILE A 17 7.517 18.652 31.595 1.00 14.43 C ATOM 20 H ILE A 17 6.590 15.139 30.021 1.00 0.00 H ATOM 21 N ASP A 18 3.161 17.353 29.204 1.00 11.07 N ATOM 22 CA ASP A 18 2.015 17.344 28.273 1.00 11.77 C ATOM 23 C ASP A 18 1.379 15.976 28.123 1.00 13.85 C ATOM 24 O ASP A 18 0.898 15.605 27.030 1.00 13.74 O ATOM 25 CB ASP A 18 2.385 17.949 26.913 1.00 13.72 C ATOM 26 CG ASP A 18 1.186 18.317 26.060 1.00 17.97 C ATOM 27 OD1 ASP A 18 0.146 18.707 26.633 1.00 21.15 O ATOM 28 OD2 ASP A 18 1.274 18.183 24.826 1.00 19.65 O ATOM 29 H ASP A 18 3.077 17.939 30.059 1.00 0.00 H ATOM 30 N GLY A 19 1.365 15.233 29.218 1.00 12.22 N ATOM 31 CA GLY A 19 0.689 13.950 29.277 1.00 12.49 C ATOM 32 C GLY A 19 -0.608 14.046 30.033 1.00 13.37 C ATOM 33 O GLY A 19 -1.222 15.120 30.114 1.00 14.83 O ATOM 34 H GLY A 19 1.856 15.581 30.066 1.00 0.00 H ATOM 35 N ALA A 20 -1.045 12.921 30.567 1.00 12.30 N ATOM 36 CA ALA A 20 -2.329 12.832 31.264 1.00 13.44 C ATOM 37 C ALA A 20 -2.211 11.690 32.249 1.00 11.68 C ATOM 38 O ALA A 20 -1.373 10.812 32.051 1.00 11.69 O ATOM 39 CB ALA A 20 -3.451 12.539 30.257 1.00 15.79 C ATOM 40 H ALA A 20 -0.456 12.067 30.490 1.00 0.00 H ATOM 41 N PRO A 21 -3.049 11.626 33.296 1.00 12.44 N ATOM 42 CA PRO A 21 -2.952 10.483 34.214 1.00 12.62 C ATOM 43 C PRO A 21 -3.121 9.161 33.468 1.00 13.75 C ATOM 44 O PRO A 21 -4.018 9.030 32.617 1.00 14.28 O ATOM 45 CB PRO A 21 -4.094 10.728 35.215 1.00 15.38 C ATOM 46 CG PRO A 21 -4.289 12.226 35.167 1.00 18.90 C ATOM 47 CD PRO A 21 -4.105 12.566 33.719 1.00 15.41 C ATOM 48 N CYS A 22 -2.284 8.175 33.766 1.00 12.88 N ATOM 49 CA CYS A 22 -2.402 6.850 33.140 1.00 13.47 C ATOM 50 C CYS A 22 -3.710 6.240 33.602 1.00 16.38 C ATOM 51 O CYS A 22 -4.116 6.457 34.744 1.00 15.65 O ATOM 52 CB CYS A 22 -1.256 5.927 33.539 1.00 12.97 C ATOM 53 SG CYS A 22 0.403 6.535 33.159 1.00 13.92 S ATOM 54 H CYS A 22 -1.527 8.344 34.459 1.00 0.00 H ATOM 55 N ALA A 23 -4.318 5.398 32.754 1.00 16.19 N ATOM 56 CA ALA A 23 -5.523 4.651 33.162 1.00 17.41 C ATOM 57 C ALA A 23 -5.180 3.827 34.424 1.00 19.54 C ATOM 58 O ALA A 23 -4.129 3.183 34.460 1.00 16.54 O ATOM 59 CB ALA A 23 -5.981 3.732 32.036 1.00 19.05 C ATOM 60 H ALA A 23 -3.935 5.270 31.796 1.00 0.00 H ATOM 61 N ARG A 24 -5.995 3.912 35.490 1.00 20.15 N ATOM 62 CA ARG A 24 -5.696 3.203 36.742 1.00 20.10 C ATOM 63 C ARG A 24 -5.502 1.711 36.514 1.00 22.16 C ATOM 64 O ARG A 24 -6.266 1.101 35.759 1.00 20.95 O ATOM 65 CB ARG A 24 -6.811 3.439 37.784 1.00 24.63 C ATOM 66 CG ARG A 24 -6.864 4.863 38.328 1.00 35.92 C ATOM 67 CD ARG A 24 -5.710 5.190 39.266 1.00 42.46 C ATOM 68 NE ARG A 24 -6.190 5.599 40.586 1.00 49.71 N ATOM 69 CZ ARG A 24 -6.446 6.855 40.938 1.00 57.33 C ATOM 70 NH1 ARG A 24 -6.264 7.846 40.072 1.00 46.97 N ATOM 71 NH2 ARG A 24 -6.887 7.131 42.158 1.00 30.20 N ATOM 72 HE ARG A 24 -6.341 4.856 41.298 1.00 0.00 H ATOM 73 HH12 ARG A 24 -6.466 8.826 40.354 1.00 0.00 H ATOM 74 HH11 ARG A 24 -5.919 7.641 39.112 1.00 0.00 H ATOM 75 HH22 ARG A 24 -7.086 8.115 42.429 1.00 0.00 H ATOM 76 HH21 ARG A 24 -7.034 6.363 42.844 1.00 0.00 H ATOM 77 H ARG A 24 -6.856 4.492 35.427 1.00 0.00 H ATOM 78 N GLY A 25 -4.445 1.154 37.096 1.00 17.96 N ATOM 79 CA GLY A 25 -4.134 -0.272 36.995 1.00 18.13 C ATOM 80 C GLY A 25 -3.455 -0.748 35.722 1.00 19.08 C ATOM 81 O GLY A 25 -3.199 -1.949 35.585 1.00 20.32 O ATOM 82 H GLY A 25 -3.808 1.761 37.650 1.00 0.00 H ATOM 83 N SER A 26 -3.121 0.171 34.785 1.00 15.46 N ATOM 84 CA SER A 26 -2.516 -0.195 33.517 1.00 14.90 C ATOM 85 C SER A 26 -0.978 -0.264 33.564 1.00 14.47 C ATOM 86 O SER A 26 -0.352 -0.636 32.571 1.00 15.28 O ATOM 87 CB SER A 26 -2.962 0.758 32.410 1.00 18.02 C ATOM 88 OG SER A 26 -2.508 2.086 32.618 1.00 18.59 O ATOM 89 HG SER A 26 -2.867 2.426 33.476 1.00 0.00 H ATOM 90 H SER A 26 -3.305 1.176 34.981 1.00 0.00 H ATOM 91 N HIS A 27 -0.392 0.085 34.715 1.00 12.82 N ATOM 92 CA HIS A 27 1.080 0.043 34.875 1.00 10.99 C ATOM 93 C HIS A 27 1.488 -0.722 36.101 1.00 11.53 C ATOM 94 O HIS A 27 2.208 -0.207 36.960 1.00 11.28 O ATOM 95 CB HIS A 27 1.658 1.457 34.930 1.00 11.65 C ATOM 96 CG HIS A 27 1.471 2.151 33.637 1.00 13.67 C ATOM 97 ND1 HIS A 27 0.233 2.642 33.267 1.00 14.88 N ATOM 98 CD2 HIS A 27 2.332 2.340 32.627 1.00 16.24 C ATOM 99 CE1 HIS A 27 0.362 3.073 32.032 1.00 17.01 C ATOM 100 NE2 HIS A 27 1.600 2.922 31.599 1.00 16.81 N ATOM 101 H HIS A 27 -0.982 0.392 35.514 1.00 0.00 H ATOM 102 N PRO A 28 1.047 -1.994 36.231 1.00 11.68 N ATOM 103 CA PRO A 28 1.374 -2.750 37.452 1.00 11.55 C ATOM 104 C PRO A 28 2.834 -3.142 37.578 1.00 11.50 C ATOM 105 O PRO A 28 3.263 -3.588 38.638 1.00 10.93 O ATOM 106 CB PRO A 28 0.469 -3.976 37.351 1.00 13.71 C ATOM 107 CG PRO A 28 0.280 -4.167 35.913 1.00 16.66 C ATOM 108 CD PRO A 28 0.171 -2.799 35.339 1.00 13.10 C ATOM 109 N TRP A 29 3.562 -3.001 36.495 1.00 11.42 N ATOM 110 CA TRP A 29 4.999 -3.258 36.471 1.00 12.10 C ATOM 111 C TRP A 29 5.823 -2.015 36.738 1.00 11.92 C ATOM 112 O TRP A 29 7.057 -2.122 36.813 1.00 12.83 O ATOM 113 CB TRP A 29 5.479 -3.923 35.165 1.00 12.79 C ATOM 114 CG TRP A 29 4.566 -3.677 34.025 1.00 13.23 C ATOM 115 CD1 TRP A 29 3.574 -4.501 33.600 1.00 17.00 C ATOM 116 CD2 TRP A 29 4.447 -2.473 33.257 1.00 12.83 C ATOM 117 NE1 TRP A 29 2.836 -3.892 32.634 1.00 17.64 N ATOM 118 CE2 TRP A 29 3.355 -2.651 32.384 1.00 16.72 C ATOM 119 CE3 TRP A 29 5.156 -1.260 33.217 1.00 13.73 C ATOM 120 CZ2 TRP A 29 2.972 -1.688 31.460 1.00 16.63 C ATOM 121 CZ3 TRP A 29 4.773 -0.303 32.285 1.00 14.47 C ATOM 122 CH2 TRP A 29 3.689 -0.525 31.428 1.00 15.04 C ATOM 123 HE1 TRP A 29 2.007 -4.305 32.160 1.00 0.00 H ATOM 124 H TRP A 29 3.096 -2.693 35.618 1.00 0.00 H ATOM 125 N GLN A 30 5.204 -0.819 36.839 1.00 9.49 N ATOM 126 CA GLN A 30 5.894 0.432 37.157 1.00 8.71 C ATOM 127 C GLN A 30 6.218 0.439 38.643 1.00 7.82 C ATOM 128 O GLN A 30 5.369 0.056 39.456 1.00 7.15 O ATOM 129 CB GLN A 30 4.970 1.648 36.862 1.00 9.36 C ATOM 130 CG GLN A 30 5.516 3.033 37.289 1.00 8.25 C ATOM 131 CD GLN A 30 6.341 3.755 36.254 1.00 7.64 C ATOM 132 OE1 GLN A 30 5.932 3.858 35.110 1.00 10.16 O ATOM 133 NE2 GLN A 30 7.419 4.410 36.676 1.00 10.55 N ATOM 134 HE22 GLN A 30 7.742 4.301 37.658 1.00 0.00 H ATOM 135 HE21 GLN A 30 7.938 5.031 36.024 1.00 0.00 H ATOM 136 H GLN A 30 4.177 -0.785 36.682 1.00 0.00 H ATOM 137 N VAL A 31 7.406 0.918 39.002 1.00 8.18 N ATOM 138 CA VAL A 31 7.776 1.200 40.366 1.00 8.00 C ATOM 139 C VAL A 31 8.330 2.604 40.432 1.00 8.33 C ATOM 140 O VAL A 31 8.678 3.211 39.420 1.00 8.57 O ATOM 141 CB VAL A 31 8.761 0.173 40.970 1.00 9.47 C ATOM 142 CG1 VAL A 31 8.232 -1.231 40.871 1.00 10.43 C ATOM 143 CG2 VAL A 31 10.154 0.261 40.343 1.00 9.40 C ATOM 144 H VAL A 31 8.108 1.099 38.256 1.00 0.00 H ATOM 145 N ALA A 32 8.461 3.135 41.661 1.00 8.68 N ATOM 146 CA ALA A 32 9.212 4.356 41.908 1.00 8.26 C ATOM 147 C ALA A 32 10.319 4.056 42.884 1.00 8.65 C ATOM 148 O ALA A 32 10.129 3.279 43.834 1.00 9.74 O ATOM 149 CB ALA A 32 8.341 5.473 42.445 1.00 9.37 C ATOM 150 H ALA A 32 8.008 2.655 42.465 1.00 0.00 H ATOM 151 N LEU A 33 11.465 4.677 42.676 1.00 8.52 N ATOM 152 CA LEU A 33 12.571 4.624 43.615 1.00 8.66 C ATOM 153 C LEU A 33 12.557 5.903 44.391 1.00 9.21 C ATOM 154 O LEU A 33 12.658 7.001 43.795 1.00 9.00 O ATOM 155 CB LEU A 33 13.904 4.451 42.901 1.00 10.39 C ATOM 156 CG LEU A 33 14.045 3.147 42.116 1.00 14.18 C ATOM 157 CD1 LEU A 33 15.361 3.125 41.367 1.00 17.47 C ATOM 158 CD2 LEU A 33 13.897 1.935 42.978 1.00 17.13 C ATOM 159 H LEU A 33 11.581 5.228 41.802 1.00 0.00 H ATOM 160 N LEU A 34 12.413 5.783 45.713 1.00 9.38 N ATOM 161 CA LEU A 34 12.335 6.918 46.590 1.00 10.30 C ATOM 162 C LEU A 34 13.551 6.983 47.468 1.00 10.98 C ATOM 163 O LEU A 34 14.160 5.963 47.823 1.00 11.59 O ATOM 164 CB LEU A 34 11.089 6.840 47.512 1.00 10.58 C ATOM 165 CG LEU A 34 9.760 6.416 46.828 1.00 12.77 C ATOM 166 CD1 LEU A 34 8.649 6.312 47.847 1.00 14.20 C ATOM 167 CD2 LEU A 34 9.334 7.391 45.769 1.00 12.48 C ATOM 168 H LEU A 34 12.355 4.830 46.124 1.00 0.00 H ATOM 169 N SER A 35 13.903 8.218 47.833 1.00 12.43 N ATOM 170 CA SER A 35 14.905 8.468 48.855 1.00 14.06 C ATOM 171 C SER A 35 14.037 8.808 50.090 1.00 16.31 C ATOM 172 O SER A 35 13.493 9.909 50.165 1.00 16.07 O ATOM 173 CB SER A 35 15.787 9.632 48.436 1.00 17.96 C ATOM 174 OG SER A 35 16.666 10.021 49.481 1.00 26.18 O ATOM 175 HG SER A 35 17.225 10.779 49.176 1.00 0.00 H ATOM 176 H SER A 35 13.444 9.029 47.370 1.00 0.00 H ATOM 177 N GLY A 36 13.804 7.826 50.970 1.00 17.06 N ATOM 178 CA GLY A 36 12.866 7.985 52.074 1.00 18.17 C ATOM 179 C GLY A 36 11.475 7.963 51.461 1.00 19.30 C ATOM 180 O GLY A 36 11.037 6.929 50.940 1.00 19.04 O ATOM 181 H GLY A 36 14.308 6.922 50.862 1.00 0.00 H ATOM 182 N ASN A 38 10.807 9.122 51.433 1.00 16.99 N ATOM 183 CA ASN A 38 9.504 9.253 50.773 1.00 17.80 C ATOM 184 C ASN A 38 9.569 10.247 49.590 1.00 18.90 C ATOM 185 O ASN A 38 8.532 10.589 49.024 1.00 20.11 O ATOM 186 CB ASN A 38 8.372 9.600 51.766 1.00 22.22 C ATOM 187 CG ASN A 38 8.454 10.964 52.425 1.00 44.32 C ATOM 188 OD1 ASN A 38 9.300 11.812 52.107 1.00 32.63 O ATOM 189 ND2 ASN A 38 7.552 11.212 53.367 1.00 39.57 N ATOM 190 HD22 ASN A 38 6.851 10.487 53.619 1.00 0.00 H ATOM 191 HD21 ASN A 38 7.547 12.132 53.853 1.00 0.00 H ATOM 192 H ASN A 38 11.225 9.956 51.894 1.00 0.00 H ATOM 193 N GLN A 39 10.781 10.691 49.199 1.00 15.31 N ATOM 194 CA GLN A 39 10.936 11.636 48.099 1.00 14.15 C ATOM 195 C GLN A 39 11.196 10.904 46.792 1.00 12.65 C ATOM 196 O GLN A 39 12.112 10.092 46.720 1.00 12.76 O ATOM 197 CB GLN A 39 12.124 12.559 48.387 1.00 15.37 C ATOM 198 CG GLN A 39 12.180 13.811 47.514 1.00 33.50 C ATOM 199 CD GLN A 39 13.332 14.747 47.825 1.00 57.75 C ATOM 200 OE1 GLN A 39 14.170 14.508 48.707 1.00 57.78 O ATOM 201 NE2 GLN A 39 13.393 15.853 47.100 1.00 42.91 N ATOM 202 HE22 GLN A 39 12.679 16.033 46.365 1.00 0.00 H ATOM 203 HE21 GLN A 39 14.155 16.542 47.265 1.00 0.00 H ATOM 204 H GLN A 39 11.629 10.350 49.696 1.00 0.00 H ATOM 205 N LEU A 40 10.453 11.246 45.753 1.00 11.83 N ATOM 206 CA LEU A 40 10.691 10.627 44.451 1.00 10.51 C ATOM 207 C LEU A 40 12.138 10.866 44.003 1.00 11.04 C ATOM 208 O LEU A 40 12.607 12.016 43.996 1.00 11.46 O ATOM 209 CB LEU A 40 9.747 11.217 43.418 1.00 11.26 C ATOM 210 CG LEU A 40 10.004 10.719 41.988 1.00 12.48 C ATOM 211 CD1 LEU A 40 9.638 9.231 41.842 1.00 11.16 C ATOM 212 CD2 LEU A 40 9.215 11.526 40.989 1.00 13.71 C ATOM 213 H LEU A 40 9.700 11.955 45.862 1.00 0.00 H ATOM 214 N HIS A 41 12.773 9.812 43.528 1.00 8.99 N ATOM 215 CA HIS A 41 14.097 9.921 42.924 1.00 8.86 C ATOM 216 C HIS A 41 14.064 9.524 41.443 1.00 8.74 C ATOM 217 O HIS A 41 14.586 10.261 40.601 1.00 9.24 O ATOM 218 CB HIS A 41 15.133 9.109 43.695 1.00 9.63 C ATOM 219 CG HIS A 41 16.538 9.501 43.325 1.00 10.08 C ATOM 220 ND1 HIS A 41 17.037 10.746 43.629 1.00 11.44 N ATOM 221 CD2 HIS A 41 17.525 8.781 42.755 1.00 10.43 C ATOM 222 CE1 HIS A 41 18.285 10.777 43.188 1.00 12.41 C ATOM 223 NE2 HIS A 41 18.628 9.621 42.667 1.00 10.84 N ATOM 224 H HIS A 41 12.318 8.879 43.585 1.00 0.00 H ATOM 225 N CYS A 42 13.475 8.376 41.128 1.00 8.18 N ATOM 226 CA CYS A 42 13.439 7.874 39.747 1.00 8.23 C ATOM 227 C CYS A 42 12.257 6.957 39.561 1.00 7.82 C ATOM 228 O CYS A 42 11.661 6.470 40.546 1.00 8.58 O ATOM 229 CB CYS A 42 14.718 7.091 39.434 1.00 8.62 C ATOM 230 SG CYS A 42 16.187 8.093 39.072 1.00 9.29 S ATOM 231 H CYS A 42 13.026 7.816 41.881 1.00 0.00 H ATOM 232 N GLY A 43 11.972 6.632 38.322 1.00 7.79 N ATOM 233 CA GLY A 43 11.096 5.538 37.978 1.00 7.90 C ATOM 234 C GLY A 43 11.875 4.237 37.823 1.00 8.50 C ATOM 235 O GLY A 43 13.115 4.211 37.914 1.00 9.56 O ATOM 236 H GLY A 43 12.397 7.188 37.553 1.00 0.00 H ATOM 237 N GLY A 44 11.161 3.164 37.560 1.00 8.52 N ATOM 238 CA GLY A 44 11.754 1.861 37.291 1.00 8.05 C ATOM 239 C GLY A 44 10.688 0.877 36.915 1.00 8.05 C ATOM 240 O GLY A 44 9.487 1.225 36.886 1.00 8.41 O ATOM 241 H GLY A 44 10.125 3.250 37.543 1.00 0.00 H ATOM 242 N VAL A 45 11.111 -0.355 36.675 1.00 8.06 N ATOM 243 CA VAL A 45 10.181 -1.434 36.384 1.00 8.89 C ATOM 244 C VAL A 45 10.513 -2.648 37.208 1.00 9.75 C ATOM 245 O VAL A 45 11.683 -2.922 37.506 1.00 10.10 O ATOM 246 CB VAL A 45 10.073 -1.827 34.893 1.00 12.03 C ATOM 247 CG1 VAL A 45 9.492 -0.699 34.057 1.00 13.15 C ATOM 248 CG2 VAL A 45 11.414 -2.327 34.350 1.00 11.52 C ATOM 249 H VAL A 45 12.131 -0.555 36.695 1.00 0.00 H ATOM 250 N LEU A 46 9.488 -3.420 37.544 1.00 9.29 N ATOM 251 CA LEU A 46 9.697 -4.663 38.258 1.00 9.09 C ATOM 252 C LEU A 46 10.030 -5.758 37.272 1.00 11.01 C ATOM 253 O LEU A 46 9.183 -6.103 36.432 1.00 11.50 O ATOM 254 CB LEU A 46 8.443 -5.027 39.048 1.00 9.83 C ATOM 255 CG LEU A 46 8.607 -6.227 39.984 1.00 10.87 C ATOM 256 CD1 LEU A 46 9.558 -5.892 41.155 1.00 11.29 C ATOM 257 CD2 LEU A 46 7.264 -6.702 40.497 1.00 13.10 C ATOM 258 H LEU A 46 8.522 -3.129 37.292 1.00 0.00 H ATOM 259 N VAL A 47 11.220 -6.363 37.375 1.00 9.63 N ATOM 260 CA VAL A 47 11.613 -7.464 36.496 1.00 10.11 C ATOM 261 C VAL A 47 11.059 -8.774 37.025 1.00 10.95 C ATOM 262 O VAL A 47 10.487 -9.595 36.295 1.00 12.31 O ATOM 263 CB VAL A 47 13.146 -7.521 36.292 1.00 11.53 C ATOM 264 CG1 VAL A 47 13.524 -8.692 35.387 1.00 12.42 C ATOM 265 CG2 VAL A 47 13.678 -6.219 35.699 1.00 12.75 C ATOM 266 H VAL A 47 11.887 -6.039 38.104 1.00 0.00 H ATOM 267 N ASN A 48 11.243 -8.986 38.316 1.00 10.93 N ATOM 268 CA ASN A 48 10.699 -10.179 38.966 1.00 11.67 C ATOM 269 C ASN A 48 10.573 -9.835 40.457 1.00 12.10 C ATOM 270 O ASN A 48 10.797 -8.681 40.855 1.00 11.66 O ATOM 271 CB ASN A 48 11.520 -11.436 38.704 1.00 13.27 C ATOM 272 CG ASN A 48 12.950 -11.299 39.148 1.00 15.05 C ATOM 273 OD1 ASN A 48 13.246 -10.788 40.247 1.00 14.37 O ATOM 274 ND2 ASN A 48 13.881 -11.705 38.292 1.00 17.46 N ATOM 275 HD22 ASN A 48 13.603 -12.127 37.383 1.00 0.00 H ATOM 276 HD21 ASN A 48 14.888 -11.601 38.531 1.00 0.00 H ATOM 277 H ASN A 48 11.782 -8.296 38.878 1.00 0.00 H ATOM 278 N GLU A 49 10.175 -10.817 41.288 1.00 13.08 N ATOM 279 CA GLU A 49 9.919 -10.554 42.697 1.00 13.38 C ATOM 280 C GLU A 49 11.104 -9.979 43.474 1.00 13.79 C ATOM 281 O GLU A 49 10.901 -9.407 44.545 1.00 13.86 O ATOM 282 CB GLU A 49 9.424 -11.815 43.418 1.00 16.30 C ATOM 283 CG GLU A 49 8.211 -12.498 42.802 1.00 26.02 C ATOM 284 CD GLU A 49 8.465 -13.609 41.793 1.00 34.32 C ATOM 285 OE1 GLU A 49 9.278 -13.424 40.859 1.00 22.75 O ATOM 286 OE2 GLU A 49 7.774 -14.647 41.889 1.00 25.96 O ATOM 287 H GLU A 49 10.048 -11.780 40.917 1.00 0.00 H ATOM 288 N ARG A 50 12.340 -10.154 42.974 1.00 13.14 N ATOM 289 CA ARG A 50 13.511 -9.635 43.689 1.00 13.08 C ATOM 290 C ARG A 50 14.270 -8.508 42.998 1.00 13.83 C ATOM 291 O ARG A 50 15.256 -8.023 43.577 1.00 14.15 O ATOM 292 CB ARG A 50 14.518 -10.761 43.985 1.00 15.62 C ATOM 293 CG ARG A 50 14.048 -11.797 44.999 1.00 21.68 C ATOM 294 CD ARG A 50 15.191 -12.287 45.863 1.00 40.18 C ATOM 295 NE ARG A 50 15.414 -11.408 47.012 1.00 54.75 N ATOM 296 CZ ARG A 50 14.962 -11.647 48.240 1.00 71.82 C ATOM 297 NH1 ARG A 50 15.210 -10.791 49.221 1.00 61.02 N ATOM 298 NH2 ARG A 50 14.267 -12.749 48.497 1.00 60.14 N ATOM 299 HE ARG A 50 15.963 -10.538 46.858 1.00 0.00 H ATOM 300 HH12 ARG A 50 14.855 -10.982 50.180 1.00 0.00 H ATOM 301 HH11 ARG A 50 15.760 -9.929 49.032 1.00 0.00 H ATOM 302 HH22 ARG A 50 13.916 -12.930 49.459 1.00 0.00 H ATOM 303 HH21 ARG A 50 14.073 -13.431 47.736 1.00 0.00 H ATOM 304 H ARG A 50 12.467 -10.661 42.075 1.00 0.00 H ATOM 305 N TRP A 51 13.866 -8.094 41.774 1.00 10.50 N ATOM 306 CA TRP A 51 14.651 -7.149 41.008 1.00 10.05 C ATOM 307 C TRP A 51 13.879 -6.073 40.339 1.00 9.54 C ATOM 308 O TRP A 51 12.870 -6.346 39.670 1.00 10.11 O ATOM 309 CB TRP A 51 15.431 -7.957 39.940 1.00 10.27 C ATOM 310 CG TRP A 51 16.516 -8.842 40.483 1.00 10.87 C ATOM 311 CD1 TRP A 51 16.437 -10.179 40.756 1.00 13.18 C ATOM 312 CD2 TRP A 51 17.822 -8.426 40.883 1.00 10.70 C ATOM 313 NE1 TRP A 51 17.630 -10.626 41.278 1.00 12.82 N ATOM 314 CE2 TRP A 51 18.506 -9.574 41.349 1.00 12.24 C ATOM 315 CE3 TRP A 51 18.503 -7.199 40.860 1.00 11.34 C ATOM 316 CZ2 TRP A 51 19.837 -9.527 41.790 1.00 12.52 C ATOM 317 CZ3 TRP A 51 19.822 -7.159 41.283 1.00 11.56 C ATOM 318 CH2 TRP A 51 20.480 -8.317 41.725 1.00 12.33 C ATOM 319 HE1 TRP A 51 17.833 -11.603 41.571 1.00 0.00 H ATOM 320 H TRP A 51 12.977 -8.461 41.378 1.00 0.00 H ATOM 321 N VAL A 52 14.461 -4.871 40.391 1.00 9.05 N ATOM 322 CA VAL A 52 13.964 -3.691 39.689 1.00 8.89 C ATOM 323 C VAL A 52 15.001 -3.230 38.692 1.00 9.50 C ATOM 324 O VAL A 52 16.200 -3.204 39.021 1.00 9.82 O ATOM 325 CB VAL A 52 13.629 -2.574 40.721 1.00 9.81 C ATOM 326 CG1 VAL A 52 13.544 -1.195 40.079 1.00 9.61 C ATOM 327 CG2 VAL A 52 12.347 -2.918 41.466 1.00 10.45 C ATOM 328 H VAL A 52 15.321 -4.770 40.967 1.00 0.00 H ATOM 329 N LEU A 53 14.566 -2.818 37.523 1.00 8.70 N ATOM 330 CA LEU A 53 15.425 -2.248 36.490 1.00 9.12 C ATOM 331 C LEU A 53 15.146 -0.748 36.421 1.00 8.21 C ATOM 332 O LEU A 53 13.989 -0.289 36.419 1.00 8.78 O ATOM 333 CB LEU A 53 15.131 -2.929 35.153 1.00 9.80 C ATOM 334 CG LEU A 53 15.959 -2.441 33.952 1.00 11.23 C ATOM 335 CD1 LEU A 53 17.450 -2.773 34.107 1.00 13.22 C ATOM 336 CD2 LEU A 53 15.400 -3.067 32.663 1.00 11.53 C ATOM 337 H LEU A 53 13.549 -2.903 37.322 1.00 0.00 H ATOM 338 N THR A 54 16.199 0.053 36.396 1.00 8.59 N ATOM 339 CA THR A 54 16.145 1.505 36.366 1.00 7.95 C ATOM 340 C THR A 54 17.383 2.049 35.635 1.00 8.66 C ATOM 341 O THR A 54 18.131 1.278 35.020 1.00 8.57 O ATOM 342 CB THR A 54 15.991 2.017 37.801 1.00 8.49 C ATOM 343 OG1 THR A 54 15.730 3.410 37.790 1.00 8.90 O ATOM 344 CG2 THR A 54 17.224 1.743 38.687 1.00 9.80 C ATOM 345 HG1 THR A 54 14.894 3.584 37.289 1.00 0.00 H ATOM 346 H THR A 54 17.139 -0.392 36.398 1.00 0.00 H ATOM 347 N ALA A 55 17.608 3.358 35.738 1.00 7.84 N ATOM 348 CA ALA A 55 18.773 3.994 35.130 1.00 8.13 C ATOM 349 C ALA A 55 19.956 3.990 36.093 1.00 8.44 C ATOM 350 O ALA A 55 19.789 4.162 37.315 1.00 9.00 O ATOM 351 CB ALA A 55 18.425 5.424 34.707 1.00 9.03 C ATOM 352 H ALA A 55 16.933 3.945 36.268 1.00 0.00 H ATOM 353 N ALA A 56 21.155 3.907 35.542 1.00 8.42 N ATOM 354 CA ALA A 56 22.374 4.024 36.346 1.00 8.74 C ATOM 355 C ALA A 56 22.544 5.400 37.011 1.00 8.12 C ATOM 356 O ALA A 56 23.134 5.490 38.093 1.00 9.26 O ATOM 357 CB ALA A 56 23.584 3.687 35.505 1.00 10.27 C ATOM 358 H ALA A 56 21.234 3.755 34.516 1.00 0.00 H ATOM 359 N HIS A 57 21.975 6.442 36.402 1.00 8.56 N ATOM 360 CA HIS A 57 22.030 7.774 36.984 1.00 8.76 C ATOM 361 C HIS A 57 21.265 7.871 38.300 1.00 8.56 C ATOM 362 O HIS A 57 21.468 8.818 39.070 1.00 9.50 O ATOM 363 CB HIS A 57 21.430 8.763 35.974 1.00 9.99 C ATOM 364 CG HIS A 57 21.866 10.182 36.173 1.00 11.63 C ATOM 365 ND1 HIS A 57 21.500 11.179 35.297 1.00 15.61 N ATOM 366 CD2 HIS A 57 22.569 10.742 37.182 1.00 13.97 C ATOM 367 CE1 HIS A 57 22.058 12.287 35.754 1.00 14.06 C ATOM 368 NE2 HIS A 57 22.691 12.084 36.891 1.00 15.17 N ATOM 369 H HIS A 57 21.484 6.299 35.496 1.00 0.00 H ATOM 370 N CYS A 58 20.419 6.867 38.566 1.00 8.13 N ATOM 371 CA CYS A 58 19.576 6.812 39.759 1.00 8.26 C ATOM 372 C CYS A 58 20.275 6.261 40.977 1.00 8.83 C ATOM 373 O CYS A 58 19.646 6.128 42.029 1.00 9.28 O ATOM 374 CB CYS A 58 18.295 6.036 39.471 1.00 8.41 C ATOM 375 SG CYS A 58 17.341 6.734 38.115 1.00 9.52 S ATOM 376 H CYS A 58 20.359 6.083 37.886 1.00 0.00 H ATOM 377 N LYS A 59 21.546 5.875 40.844 1.00 8.22 N ATOM 378 CA LYS A 59 22.281 5.260 41.934 1.00 8.91 C ATOM 379 C LYS A 59 22.166 6.008 43.242 1.00 9.07 C ATOM 380 O LYS A 59 22.361 7.235 43.295 1.00 9.31 O ATOM 381 CB LYS A 59 23.773 5.156 41.543 1.00 9.98 C ATOM 382 CG LYS A 59 24.667 4.479 42.570 1.00 11.24 C ATOM 383 CD LYS A 59 24.575 2.954 42.482 1.00 13.08 C ATOM 384 CE LYS A 59 25.453 2.275 43.506 1.00 13.27 C ATOM 385 NZ LYS A 59 25.370 0.799 43.331 1.00 14.15 N ATOM 386 HZ1 LYS A 59 24.385 0.491 43.459 1.00 0.00 H ATOM 387 HZ2 LYS A 59 25.692 0.546 42.375 1.00 0.00 H ATOM 388 HZ3 LYS A 59 25.975 0.333 44.037 1.00 0.00 H ATOM 389 H LYS A 59 22.024 6.019 39.932 1.00 0.00 H ATOM 390 N MET A 60 21.895 5.249 44.303 1.00 9.29 N ATOM 391 CA MET A 60 21.906 5.744 45.664 1.00 8.90 C ATOM 392 C MET A 60 22.466 4.654 46.553 1.00 10.31 C ATOM 393 O MET A 60 22.562 3.488 46.151 1.00 11.17 O ATOM 394 CB MET A 60 20.505 6.152 46.142 1.00 9.22 C ATOM 395 CG MET A 60 19.881 7.310 45.377 1.00 10.59 C ATOM 396 SD MET A 60 18.430 8.023 46.164 1.00 11.92 S ATOM 397 CE MET A 60 17.296 6.680 45.955 1.00 12.16 C ATOM 398 H MET A 60 21.663 4.247 44.145 1.00 0.00 H ATOM 399 N ASN A 61 22.852 5.023 47.773 1.00 10.52 N ATOM 400 CA ASN A 61 23.362 4.030 48.740 1.00 11.32 C ATOM 401 C ASN A 61 22.288 3.006 49.089 1.00 11.63 C ATOM 402 O ASN A 61 22.623 1.853 49.357 1.00 13.36 O ATOM 403 CB ASN A 61 23.938 4.709 49.983 1.00 13.33 C ATOM 404 CG ASN A 61 22.911 5.444 50.791 1.00 16.24 C ATOM 405 OD1 ASN A 61 22.115 6.237 50.295 1.00 20.21 O ATOM 406 ND2 ASN A 61 22.851 5.142 52.087 1.00 22.93 N ATOM 407 HD22 ASN A 61 23.530 4.469 52.496 1.00 0.00 H ATOM 408 HD21 ASN A 61 22.125 5.579 52.690 1.00 0.00 H ATOM 409 H ASN A 61 22.794 6.024 48.049 1.00 0.00 H ATOM 410 N GLU A 63 21.037 3.425 49.088 1.00 10.89 N ATOM 411 CA GLU A 63 19.889 2.548 49.330 1.00 10.52 C ATOM 412 C GLU A 63 18.668 3.219 48.757 1.00 10.51 C ATOM 413 O GLU A 63 18.706 4.409 48.416 1.00 11.31 O ATOM 414 CB GLU A 63 19.726 2.185 50.810 1.00 12.44 C ATOM 415 CG GLU A 63 19.382 3.390 51.655 1.00 14.75 C ATOM 416 CD GLU A 63 19.322 3.149 53.155 1.00 18.78 C ATOM 417 OE1 GLU A 63 19.633 2.021 53.597 1.00 25.41 O ATOM 418 OE2 GLU A 63 18.886 4.067 53.881 1.00 23.22 O ATOM 419 H GLU A 63 20.856 4.433 48.905 1.00 0.00 H ATOM 420 N TYR A 64 17.577 2.456 48.680 1.00 9.99 N ATOM 421 CA TYR A 64 16.345 2.935 48.090 1.00 9.31 C ATOM 422 C TYR A 64 15.150 2.446 48.893 1.00 9.93 C ATOM 423 O TYR A 64 15.222 1.366 49.496 1.00 10.55 O ATOM 424 CB TYR A 64 16.168 2.380 46.642 1.00 10.12 C ATOM 425 CG TYR A 64 17.424 2.392 45.787 1.00 9.64 C ATOM 426 CD1 TYR A 64 18.421 1.439 45.968 1.00 9.86 C ATOM 427 CD2 TYR A 64 17.633 3.386 44.834 1.00 9.27 C ATOM 428 CE1 TYR A 64 19.594 1.466 45.222 1.00 10.13 C ATOM 429 CE2 TYR A 64 18.790 3.407 44.055 1.00 9.72 C ATOM 430 CZ TYR A 64 19.772 2.462 44.276 1.00 9.32 C ATOM 431 OH TYR A 64 20.931 2.542 43.527 1.00 9.47 O ATOM 432 HH TYR A 64 21.542 1.808 43.788 1.00 0.00 H ATOM 433 H TYR A 64 17.612 1.487 49.055 1.00 0.00 H ATOM 434 N THR A 65 14.037 3.159 48.784 1.00 9.89 N ATOM 435 CA THR A 65 12.734 2.621 49.176 1.00 9.44 C ATOM 436 C THR A 65 11.966 2.489 47.863 1.00 9.21 C ATOM 437 O THR A 65 11.761 3.491 47.150 1.00 10.79 O ATOM 438 CB THR A 65 12.023 3.503 50.173 1.00 10.67 C ATOM 439 OG1 THR A 65 12.811 3.525 51.374 1.00 12.37 O ATOM 440 CG2 THR A 65 10.619 2.978 50.532 1.00 13.29 C ATOM 441 HG1 THR A 65 12.367 4.098 52.048 1.00 0.00 H ATOM 442 H THR A 65 14.092 4.128 48.409 1.00 0.00 H ATOM 443 N VAL A 66 11.534 1.285 47.556 1.00 9.20 N ATOM 444 CA VAL A 66 10.815 1.037 46.316 1.00 8.97 C ATOM 445 C VAL A 66 9.320 1.047 46.557 1.00 9.61 C ATOM 446 O VAL A 66 8.816 0.327 47.433 1.00 10.03 O ATOM 447 CB VAL A 66 11.276 -0.291 45.674 1.00 10.38 C ATOM 448 CG1 VAL A 66 10.554 -0.532 44.351 1.00 10.21 C ATOM 449 CG2 VAL A 66 12.794 -0.304 45.463 1.00 11.96 C ATOM 450 H VAL A 66 11.710 0.497 48.211 1.00 0.00 H ATOM 451 N HIS A 67 8.610 1.859 45.784 1.00 8.87 N ATOM 452 CA HIS A 67 7.149 1.911 45.770 1.00 9.48 C ATOM 453 C HIS A 67 6.638 1.010 44.661 1.00 8.90 C ATOM 454 O HIS A 67 7.054 1.176 43.502 1.00 8.82 O ATOM 455 CB HIS A 67 6.711 3.358 45.487 1.00 9.52 C ATOM 456 CG HIS A 67 5.292 3.506 44.982 1.00 10.03 C ATOM 457 ND1 HIS A 67 4.299 4.024 45.784 1.00 11.22 N ATOM 458 CD2 HIS A 67 4.763 3.239 43.769 1.00 10.86 C ATOM 459 CE1 HIS A 67 3.198 4.048 45.045 1.00 11.33 C ATOM 460 NE2 HIS A 67 3.428 3.576 43.832 1.00 10.94 N ATOM 461 H HIS A 67 9.126 2.499 45.147 1.00 0.00 H ATOM 462 N LEU A 68 5.681 0.149 44.978 1.00 9.05 N ATOM 463 CA LEU A 68 5.030 -0.725 44.007 1.00 9.56 C ATOM 464 C LEU A 68 3.545 -0.755 44.266 1.00 10.00 C ATOM 465 O LEU A 68 3.093 -0.506 45.402 1.00 10.16 O ATOM 466 CB LEU A 68 5.539 -2.202 44.128 1.00 11.21 C ATOM 467 CG LEU A 68 7.047 -2.418 44.247 1.00 10.29 C ATOM 468 CD1 LEU A 68 7.483 -2.485 45.723 1.00 11.40 C ATOM 469 CD2 LEU A 68 7.469 -3.706 43.556 1.00 11.23 C ATOM 470 H LEU A 68 5.378 0.093 45.971 1.00 0.00 H ATOM 471 N GLY A 69 2.787 -1.113 43.245 1.00 9.21 N ATOM 472 CA GLY A 69 1.401 -1.461 43.457 1.00 10.30 C ATOM 473 C GLY A 69 0.405 -0.347 43.577 1.00 11.26 C ATOM 474 O GLY A 69 -0.692 -0.562 44.102 1.00 12.08 O ATOM 475 H GLY A 69 3.189 -1.144 42.286 1.00 0.00 H ATOM 476 N SER A 70 0.743 0.843 43.108 1.00 10.14 N ATOM 477 CA SER A 70 -0.236 1.927 43.043 1.00 9.92 C ATOM 478 C SER A 70 0.204 2.965 42.059 1.00 9.96 C ATOM 479 O SER A 70 1.371 3.359 42.019 1.00 10.88 O ATOM 480 CB SER A 70 -0.464 2.612 44.395 1.00 11.38 C ATOM 481 OG SER A 70 -1.446 3.627 44.232 1.00 12.05 O ATOM 482 HG SER A 70 -1.601 4.077 45.100 1.00 0.00 H ATOM 483 H SER A 70 1.716 1.009 42.782 1.00 0.00 H ATOM 484 N ASP A 71 -0.774 3.548 41.375 1.00 9.77 N ATOM 485 CA ASP A 71 -0.494 4.698 40.528 1.00 10.52 C ATOM 486 C ASP A 71 -0.317 5.982 41.352 1.00 11.68 C ATOM 487 O ASP A 71 0.102 7.014 40.795 1.00 10.65 O ATOM 488 CB ASP A 71 -1.621 4.868 39.512 1.00 13.25 C ATOM 489 CG ASP A 71 -1.788 3.655 38.640 1.00 15.38 C ATOM 490 OD1 ASP A 71 -0.765 3.127 38.161 1.00 13.90 O ATOM 491 OD2 ASP A 71 -2.926 3.133 38.565 1.00 18.52 O ATOM 492 H ASP A 71 -1.745 3.181 41.445 1.00 0.00 H ATOM 493 N THR A 72 -0.593 5.929 42.676 1.00 11.12 N ATOM 494 CA THR A 72 -0.467 7.119 43.521 1.00 10.66 C ATOM 495 C THR A 72 0.671 6.985 44.515 1.00 11.49 C ATOM 496 O THR A 72 0.662 6.089 45.371 1.00 11.60 O ATOM 497 CB THR A 72 -1.792 7.369 44.267 1.00 11.34 C ATOM 498 OG1 THR A 72 -2.846 7.496 43.304 1.00 13.21 O ATOM 499 CG2 THR A 72 -1.718 8.589 45.178 1.00 12.90 C ATOM 500 HG1 THR A 72 -2.910 6.662 42.775 1.00 0.00 H ATOM 501 H THR A 72 -0.899 5.030 43.100 1.00 0.00 H ATOM 502 N LEU A 73 1.660 7.900 44.448 1.00 11.44 N ATOM 503 CA LEU A 73 2.729 7.902 45.471 1.00 12.62 C ATOM 504 C LEU A 73 2.130 8.259 46.846 1.00 14.04 C ATOM 505 O LEU A 73 1.304 9.165 46.911 1.00 14.78 O ATOM 506 CB LEU A 73 3.835 8.905 45.127 1.00 13.28 C ATOM 507 CG LEU A 73 4.664 8.553 43.888 1.00 13.52 C ATOM 508 CD1 LEU A 73 5.753 9.596 43.645 1.00 14.72 C ATOM 509 CD2 LEU A 73 5.220 7.093 43.915 1.00 13.58 C ATOM 510 H LEU A 73 1.671 8.601 43.680 1.00 0.00 H ATOM 511 N GLY A 76 2.560 7.576 47.899 1.00 13.34 N ATOM 512 CA GLY A 76 2.057 7.770 49.253 1.00 14.65 C ATOM 513 C GLY A 76 0.770 7.023 49.544 1.00 15.10 C ATOM 514 O GLY A 76 0.281 7.067 50.672 1.00 14.98 O ATOM 515 H GLY A 76 3.299 6.860 47.749 1.00 0.00 H ATOM 516 N ASP A 77 0.175 6.346 48.543 1.00 12.08 N ATOM 517 CA ASP A 77 -1.038 5.569 48.767 1.00 10.94 C ATOM 518 C ASP A 77 -0.794 4.577 49.895 1.00 12.63 C ATOM 519 O ASP A 77 0.204 3.806 49.835 1.00 13.01 O ATOM 520 CB ASP A 77 -1.349 4.800 47.479 1.00 11.52 C ATOM 521 CG ASP A 77 -2.611 3.966 47.439 1.00 11.91 C ATOM 522 OD1 ASP A 77 -3.245 3.779 48.498 1.00 12.65 O ATOM 523 OD2 ASP A 77 -3.014 3.561 46.319 1.00 14.21 O ATOM 524 H ASP A 77 0.590 6.378 47.590 1.00 0.00 H ATOM 525 N ARG A 78 -1.651 4.581 50.905 1.00 12.15 N ATOM 526 CA ARG A 78 -1.474 3.633 51.999 1.00 13.85 C ATOM 527 C ARG A 78 -1.549 2.172 51.544 1.00 16.59 C ATOM 528 O ARG A 78 -1.054 1.284 52.269 1.00 18.15 O ATOM 529 CB ARG A 78 -2.525 3.902 53.088 1.00 16.44 C ATOM 530 CG ARG A 78 -2.316 5.235 53.795 1.00 22.64 C ATOM 531 CD ARG A 78 -2.836 5.235 55.215 1.00 40.13 C ATOM 532 NE ARG A 78 -2.255 6.341 55.980 1.00 56.71 N ATOM 533 CZ ARG A 78 -2.763 6.832 57.106 1.00 71.84 C ATOM 534 NH1 ARG A 78 -3.879 6.325 57.617 1.00 59.69 N ATOM 535 NH2 ARG A 78 -2.167 7.843 57.723 1.00 58.90 N ATOM 536 HE ARG A 78 -1.382 6.773 55.616 1.00 0.00 H ATOM 537 HH12 ARG A 78 -4.271 6.714 58.498 1.00 0.00 H ATOM 538 HH11 ARG A 78 -4.361 5.539 57.136 1.00 0.00 H ATOM 539 HH22 ARG A 78 -2.568 8.224 58.604 1.00 0.00 H ATOM 540 HH21 ARG A 78 -1.298 8.255 57.326 1.00 0.00 H ATOM 541 H ARG A 78 -2.443 5.254 50.918 1.00 0.00 H ATOM 542 N ARG A 79 -2.187 1.887 50.405 1.00 13.62 N ATOM 543 CA ARG A 79 -2.295 0.520 49.875 1.00 14.49 C ATOM 544 C ARG A 79 -1.049 0.116 49.103 1.00 14.34 C ATOM 545 O ARG A 79 -0.935 -1.064 48.723 1.00 13.97 O ATOM 546 CB ARG A 79 -3.493 0.379 48.919 1.00 17.87 C ATOM 547 CG ARG A 79 -4.832 0.858 49.450 1.00 21.56 C ATOM 548 CD ARG A 79 -5.887 0.958 48.341 1.00 26.07 C ATOM 549 NE ARG A 79 -5.491 1.888 47.273 1.00 23.52 N ATOM 550 CZ ARG A 79 -5.826 1.758 45.993 1.00 30.39 C ATOM 551 NH1 ARG A 79 -6.635 0.780 45.607 1.00 26.87 N ATOM 552 NH2 ARG A 79 -5.407 2.642 45.098 1.00 26.09 N ATOM 553 HE ARG A 79 -4.907 2.706 47.538 1.00 0.00 H ATOM 554 HH12 ARG A 79 -6.893 0.684 44.604 1.00 0.00 H ATOM 555 HH11 ARG A 79 -7.011 0.109 46.307 1.00 0.00 H ATOM 556 HH22 ARG A 79 -5.672 2.535 44.098 1.00 0.00 H ATOM 557 HH21 ARG A 79 -4.813 3.442 45.396 1.00 0.00 H ATOM 558 H ARG A 79 -2.625 2.665 49.871 1.00 0.00 H ATOM 559 N ALA A 80 -0.155 1.052 48.799 1.00 12.36 N ATOM 560 CA ALA A 80 1.041 0.679 48.037 1.00 11.49 C ATOM 561 C ALA A 80 1.975 -0.189 48.880 1.00 11.20 C ATOM 562 O ALA A 80 1.953 -0.143 50.114 1.00 13.31 O ATOM 563 CB ALA A 80 1.800 1.918 47.606 1.00 12.96 C ATOM 564 H ALA A 80 -0.302 2.037 49.098 1.00 0.00 H ATOM 565 N GLN A 81 2.802 -0.983 48.217 1.00 9.81 N ATOM 566 CA GLN A 81 3.888 -1.693 48.862 1.00 10.39 C ATOM 567 C GLN A 81 5.111 -0.794 48.845 1.00 11.80 C ATOM 568 O GLN A 81 5.392 -0.136 47.841 1.00 11.83 O ATOM 569 CB GLN A 81 4.234 -2.970 48.124 1.00 12.85 C ATOM 570 CG GLN A 81 3.257 -4.079 48.373 1.00 14.36 C ATOM 571 CD GLN A 81 3.639 -5.285 47.565 1.00 15.81 C ATOM 572 OE1 GLN A 81 4.744 -5.832 47.680 1.00 13.50 O ATOM 573 NE2 GLN A 81 2.745 -5.683 46.690 1.00 16.99 N ATOM 574 HE22 GLN A 81 1.828 -5.196 46.625 1.00 0.00 H ATOM 575 HE21 GLN A 81 2.954 -6.485 46.062 1.00 0.00 H ATOM 576 H GLN A 81 2.667 -1.102 47.193 1.00 0.00 H ATOM 577 N ARG A 82 5.838 -0.755 49.960 1.00 11.23 N ATOM 578 CA ARG A 82 7.127 -0.086 50.082 1.00 11.79 C ATOM 579 C ARG A 82 8.125 -1.149 50.523 1.00 11.47 C ATOM 580 O ARG A 82 7.852 -1.899 51.485 1.00 12.49 O ATOM 581 CB ARG A 82 7.099 1.075 51.073 1.00 13.59 C ATOM 582 CG ARG A 82 6.231 2.236 50.629 1.00 15.16 C ATOM 583 CD ARG A 82 5.948 3.212 51.776 1.00 20.72 C ATOM 584 NE ARG A 82 7.166 3.821 52.330 1.00 25.80 N ATOM 585 CZ ARG A 82 7.643 3.685 53.572 1.00 37.39 C ATOM 586 NH1 ARG A 82 6.996 2.948 54.469 1.00 30.42 N ATOM 587 NH2 ARG A 82 8.765 4.294 53.926 1.00 31.21 N ATOM 588 HE ARG A 82 7.717 4.423 51.686 1.00 0.00 H ATOM 589 HH12 ARG A 82 7.376 2.849 55.432 1.00 0.00 H ATOM 590 HH11 ARG A 82 6.110 2.470 54.208 1.00 0.00 H ATOM 591 HH22 ARG A 82 9.133 4.186 54.893 1.00 0.00 H ATOM 592 HH21 ARG A 82 9.278 4.880 53.237 1.00 0.00 H ATOM 593 H ARG A 82 5.460 -1.235 50.802 1.00 0.00 H ATOM 594 N ILE A 83 9.275 -1.266 49.828 1.00 10.16 N ATOM 595 CA ILE A 83 10.275 -2.278 50.127 1.00 10.10 C ATOM 596 C ILE A 83 11.633 -1.619 50.117 1.00 9.89 C ATOM 597 O ILE A 83 12.013 -0.960 49.139 1.00 10.46 O ATOM 598 CB ILE A 83 10.236 -3.464 49.123 1.00 12.17 C ATOM 599 CG1 ILE A 83 8.821 -4.100 49.040 1.00 12.74 C ATOM 600 CG2 ILE A 83 11.321 -4.497 49.458 1.00 12.03 C ATOM 601 CD1 ILE A 83 8.662 -5.195 48.051 1.00 13.30 C ATOM 602 H ILE A 83 9.454 -0.605 49.046 1.00 0.00 H ATOM 603 N LYS A 84 12.423 -1.873 51.159 1.00 9.56 N ATOM 604 CA LYS A 84 13.783 -1.367 51.205 1.00 9.74 C ATOM 605 C LYS A 84 14.658 -2.161 50.217 1.00 10.21 C ATOM 606 O LYS A 84 14.526 -3.379 50.093 1.00 10.11 O ATOM 607 CB LYS A 84 14.333 -1.567 52.625 1.00 10.95 C ATOM 608 CG LYS A 84 15.628 -0.840 52.890 1.00 12.76 C ATOM 609 CD LYS A 84 15.378 0.672 52.885 1.00 18.50 C ATOM 610 CE LYS A 84 16.572 1.500 53.172 1.00 24.85 C ATOM 611 NZ LYS A 84 16.181 2.809 53.762 1.00 25.19 N ATOM 612 HZ1 LYS A 84 15.571 3.321 53.093 1.00 0.00 H ATOM 613 HZ2 LYS A 84 15.664 2.647 54.650 1.00 0.00 H ATOM 614 HZ3 LYS A 84 17.035 3.370 53.954 1.00 0.00 H ATOM 615 H LYS A 84 12.060 -2.442 51.951 1.00 0.00 H ATOM 616 N ALA A 85 15.599 -1.476 49.563 1.00 9.78 N ATOM 617 CA ALA A 85 16.565 -2.116 48.678 1.00 9.71 C ATOM 618 C ALA A 85 17.934 -1.555 48.983 1.00 10.45 C ATOM 619 O ALA A 85 18.180 -0.353 48.822 1.00 11.19 O ATOM 620 CB ALA A 85 16.210 -1.885 47.229 1.00 10.63 C ATOM 621 H ALA A 85 15.645 -0.445 49.690 1.00 0.00 H ATOM 622 N SER A 86 18.828 -2.405 49.442 1.00 11.43 N ATOM 623 CA SER A 86 20.166 -1.996 49.847 1.00 11.84 C ATOM 624 C SER A 86 21.195 -2.057 48.717 1.00 14.27 C ATOM 625 O SER A 86 22.033 -1.144 48.615 1.00 17.47 O ATOM 626 CB SER A 86 20.633 -2.840 51.032 1.00 13.80 C ATOM 627 OG SER A 86 19.787 -2.647 52.154 1.00 15.24 O ATOM 628 HG SER A 86 19.802 -1.693 52.416 1.00 0.00 H ATOM 629 H SER A 86 18.569 -3.409 49.519 1.00 0.00 H ATOM 630 N LYS A 87 21.114 -3.054 47.851 1.00 11.30 N ATOM 631 CA LYS A 87 22.099 -3.316 46.804 1.00 11.05 C ATOM 632 C LYS A 87 21.656 -2.922 45.434 1.00 11.08 C ATOM 633 O LYS A 87 20.484 -3.085 45.076 1.00 11.50 O ATOM 634 CB LYS A 87 22.468 -4.812 46.777 1.00 13.65 C ATOM 635 CG LYS A 87 22.997 -5.331 48.105 1.00 16.96 C ATOM 636 CD LYS A 87 23.279 -6.832 47.992 1.00 22.29 C ATOM 637 CE LYS A 87 23.829 -7.441 49.259 1.00 27.03 C ATOM 638 NZ LYS A 87 23.936 -8.922 49.147 1.00 32.24 N ATOM 639 HZ1 LYS A 87 22.994 -9.324 48.969 1.00 0.00 H ATOM 640 HZ2 LYS A 87 24.572 -9.164 48.360 1.00 0.00 H ATOM 641 HZ3 LYS A 87 24.317 -9.309 50.034 1.00 0.00 H ATOM 642 H LYS A 87 20.296 -3.693 47.920 1.00 0.00 H ATOM 643 N SER A 88 22.593 -2.442 44.634 1.00 9.95 N ATOM 644 CA SER A 88 22.321 -2.117 43.245 1.00 10.38 C ATOM 645 C SER A 88 23.571 -2.279 42.410 1.00 10.64 C ATOM 646 O SER A 88 24.677 -2.164 42.946 1.00 11.39 O ATOM 647 CB SER A 88 21.692 -0.740 43.109 1.00 10.80 C ATOM 648 OG SER A 88 22.508 0.269 43.703 1.00 11.08 O ATOM 649 HG SER A 88 22.070 1.151 43.597 1.00 0.00 H ATOM 650 H SER A 88 23.551 -2.293 45.010 1.00 0.00 H ATOM 651 N PHE A 89 23.375 -2.542 41.124 1.00 10.13 N ATOM 652 CA PHE A 89 24.442 -2.947 40.201 1.00 10.04 C ATOM 653 C PHE A 89 24.252 -2.240 38.881 1.00 10.66 C ATOM 654 O PHE A 89 23.343 -2.572 38.110 1.00 10.32 O ATOM 655 CB PHE A 89 24.398 -4.483 40.004 1.00 12.19 C ATOM 656 CG PHE A 89 24.437 -5.230 41.318 1.00 12.91 C ATOM 657 CD1 PHE A 89 25.647 -5.533 41.931 1.00 15.43 C ATOM 658 CD2 PHE A 89 23.267 -5.606 41.956 1.00 14.15 C ATOM 659 CE1 PHE A 89 25.678 -6.163 43.188 1.00 16.96 C ATOM 660 CE2 PHE A 89 23.299 -6.250 43.204 1.00 16.23 C ATOM 661 CZ PHE A 89 24.503 -6.530 43.804 1.00 16.72 C ATOM 662 H PHE A 89 22.409 -2.456 40.748 1.00 0.00 H ATOM 663 N ARG A 90 25.166 -1.345 38.581 1.00 10.24 N ATOM 664 CA ARG A 90 25.148 -0.612 37.331 1.00 9.77 C ATOM 665 C ARG A 90 25.709 -1.458 36.227 1.00 10.94 C ATOM 666 O ARG A 90 26.544 -2.341 36.458 1.00 10.05 O ATOM 667 CB ARG A 90 26.042 0.607 37.434 1.00 9.33 C ATOM 668 CG ARG A 90 25.393 1.741 38.192 1.00 10.13 C ATOM 669 CD ARG A 90 26.372 2.884 38.257 1.00 9.39 C ATOM 670 NE ARG A 90 25.743 4.166 38.557 1.00 9.15 N ATOM 671 CZ ARG A 90 26.431 5.259 38.896 1.00 9.82 C ATOM 672 NH1 ARG A 90 27.748 5.195 39.061 1.00 10.66 N ATOM 673 NH2 ARG A 90 25.816 6.427 39.006 1.00 6.47 N ATOM 674 HE ARG A 90 24.706 4.232 38.504 1.00 0.00 H ATOM 675 HH12 ARG A 90 28.281 6.048 39.325 1.00 0.00 H ATOM 676 HH11 ARG A 90 28.246 4.292 38.926 1.00 0.00 H ATOM 677 HH22 ARG A 90 26.356 7.276 39.270 1.00 0.00 H ATOM 678 HH21 ARG A 90 24.794 6.495 38.828 1.00 0.00 H ATOM 679 H ARG A 90 25.928 -1.156 39.263 1.00 0.00 H ATOM 680 N HIS A 91 25.299 -1.159 35.002 1.00 11.40 N ATOM 681 CA HIS A 91 25.927 -1.771 33.837 1.00 12.14 C ATOM 682 C HIS A 91 27.386 -1.238 33.834 1.00 14.09 C ATOM 683 O HIS A 91 27.641 -0.067 34.139 1.00 14.08 O ATOM 684 CB HIS A 91 25.214 -1.325 32.579 1.00 12.00 C ATOM 685 CG HIS A 91 25.712 -2.048 31.349 1.00 14.74 C ATOM 686 ND1 HIS A 91 26.944 -1.755 30.777 1.00 16.56 N ATOM 687 CD2 HIS A 91 25.131 -3.039 30.638 1.00 16.23 C ATOM 688 CE1 HIS A 91 27.069 -2.579 29.740 1.00 16.61 C ATOM 689 NE2 HIS A 91 26.031 -3.394 29.636 1.00 16.92 N ATOM 690 H HIS A 91 24.521 -0.481 34.871 1.00 0.00 H ATOM 691 N PRO A 92 28.365 -2.126 33.575 1.00 14.88 N ATOM 692 CA PRO A 92 29.780 -1.716 33.690 1.00 17.23 C ATOM 693 C PRO A 92 30.278 -0.620 32.765 1.00 23.56 C ATOM 694 O PRO A 92 31.328 -0.025 33.049 1.00 26.24 O ATOM 695 CB PRO A 92 30.552 -3.015 33.433 1.00 19.13 C ATOM 696 CG PRO A 92 29.625 -3.918 32.761 1.00 20.63 C ATOM 697 CD PRO A 92 28.258 -3.572 33.288 1.00 15.90 C ATOM 698 N GLY A 93 29.582 -0.375 31.677 1.00 19.85 N ATOM 699 CA GLY A 93 30.067 0.652 30.754 1.00 20.47 C ATOM 700 C GLY A 93 29.477 2.035 30.994 1.00 18.03 C ATOM 701 O GLY A 93 29.595 2.899 30.130 1.00 16.76 O ATOM 702 H GLY A 93 28.706 -0.899 31.477 1.00 0.00 H ATOM 703 N TYR A 94 28.798 2.277 32.151 1.00 16.11 N ATOM 704 CA TYR A 94 28.102 3.544 32.337 1.00 14.45 C ATOM 705 C TYR A 94 29.005 4.754 32.350 1.00 19.12 C ATOM 706 O TYR A 94 29.975 4.796 33.106 1.00 21.38 O ATOM 707 CB TYR A 94 27.210 3.515 33.589 1.00 14.16 C ATOM 708 CG TYR A 94 26.533 4.829 33.886 1.00 12.80 C ATOM 709 CD1 TYR A 94 25.651 5.406 32.975 1.00 12.66 C ATOM 710 CD2 TYR A 94 26.761 5.491 35.084 1.00 13.83 C ATOM 711 CE1 TYR A 94 25.006 6.604 33.250 1.00 11.97 C ATOM 712 CE2 TYR A 94 26.129 6.692 35.373 1.00 14.64 C ATOM 713 CZ TYR A 94 25.259 7.252 34.449 1.00 13.93 C ATOM 714 OH TYR A 94 24.609 8.431 34.704 1.00 14.63 O ATOM 715 HH TYR A 94 24.037 8.665 33.930 1.00 0.00 H ATOM 716 H TYR A 94 28.777 1.557 32.901 1.00 0.00 H ATOM 717 N SER A 95 28.646 5.742 31.533 1.00 17.16 N ATOM 718 CA SER A 95 29.341 7.020 31.455 1.00 18.15 C ATOM 719 C SER A 95 28.439 8.126 31.975 1.00 21.25 C ATOM 720 O SER A 95 27.372 8.401 31.395 1.00 19.41 O ATOM 721 CB SER A 95 29.730 7.347 30.017 1.00 20.61 C ATOM 722 OG SER A 95 30.306 8.644 29.931 1.00 22.94 O ATOM 723 HG SER A 95 31.117 8.682 30.498 1.00 0.00 H ATOM 724 H SER A 95 27.823 5.593 30.915 1.00 0.00 H ATOM 725 N THR A 96 28.942 8.859 32.967 1.00 22.98 N ATOM 726 CA THR A 96 28.245 10.033 33.486 1.00 24.13 C ATOM 727 C THR A 96 28.210 11.156 32.414 1.00 30.01 C ATOM 728 O THR A 96 27.260 11.934 32.387 1.00 31.24 O ATOM 729 CB THR A 96 28.927 10.541 34.771 1.00 33.79 C ATOM 730 OG1 THR A 96 30.241 11.009 34.455 1.00 37.34 O ATOM 731 CG2 THR A 96 28.996 9.483 35.869 1.00 33.78 C ATOM 732 HG1 THR A 96 30.770 10.267 34.069 1.00 0.00 H ATOM 733 H THR A 96 29.856 8.588 33.383 1.00 0.00 H ATOM 734 N GLN A 97 29.214 11.205 31.507 1.00 26.90 N ATOM 735 CA GLN A 97 29.323 12.244 30.475 1.00 27.41 C ATOM 736 C GLN A 97 28.447 11.997 29.235 1.00 28.65 C ATOM 737 O GLN A 97 27.747 12.912 28.779 1.00 28.66 O ATOM 738 CB GLN A 97 30.797 12.413 30.052 1.00 29.56 C ATOM 739 CG GLN A 97 31.069 13.635 29.167 1.00 51.08 C ATOM 740 CD GLN A 97 32.417 13.576 28.490 1.00 72.93 C ATOM 741 OE1 GLN A 97 32.544 13.157 27.333 1.00 68.81 O ATOM 742 NE2 GLN A 97 33.451 14.024 29.183 1.00 66.52 N ATOM 743 HE22 GLN A 97 33.315 14.371 30.154 1.00 0.00 H ATOM 744 HE21 GLN A 97 34.400 14.030 28.757 1.00 0.00 H ATOM 745 H GLN A 97 29.947 10.468 31.543 1.00 0.00 H ATOM 746 N THR A 98 28.534 10.786 28.650 1.00 23.26 N ATOM 747 CA THR A 98 27.839 10.455 27.407 1.00 21.88 C ATOM 748 C THR A 98 26.483 9.779 27.609 1.00 21.44 C ATOM 749 O THR A 98 25.752 9.585 26.642 1.00 21.61 O ATOM 750 CB THR A 98 28.716 9.566 26.516 1.00 28.01 C ATOM 751 OG1 THR A 98 28.825 8.280 27.121 1.00 25.29 O ATOM 752 CG2 THR A 98 30.108 10.154 26.253 1.00 27.14 C ATOM 753 HG1 THR A 98 29.238 8.372 28.016 1.00 0.00 H ATOM 754 H THR A 98 29.121 10.056 29.102 1.00 0.00 H ATOM 755 N HIS A 99 26.185 9.339 28.835 1.00 17.52 N ATOM 756 CA HIS A 99 24.936 8.636 29.173 1.00 16.24 C ATOM 757 C HIS A 99 24.856 7.236 28.586 1.00 15.69 C ATOM 758 O HIS A 99 23.804 6.601 28.683 1.00 14.37 O ATOM 759 CB HIS A 99 23.670 9.441 28.821 1.00 17.13 C ATOM 760 CG HIS A 99 23.705 10.871 29.264 1.00 20.04 C ATOM 761 ND1 HIS A 99 23.328 11.235 30.538 1.00 21.25 N ATOM 762 CD2 HIS A 99 24.023 11.982 28.563 1.00 21.52 C ATOM 763 CE1 HIS A 99 23.440 12.554 30.585 1.00 21.43 C ATOM 764 NE2 HIS A 99 23.862 13.045 29.420 1.00 21.60 N ATOM 765 H HIS A 99 26.876 9.503 29.595 1.00 0.00 H ATOM 766 N VAL A 100 25.948 6.730 27.992 1.00 14.72 N ATOM 767 CA VAL A 100 25.897 5.371 27.480 1.00 13.64 C ATOM 768 C VAL A 100 25.754 4.389 28.637 1.00 12.72 C ATOM 769 O VAL A 100 26.265 4.613 29.729 1.00 12.63 O ATOM 770 CB VAL A 100 27.075 5.022 26.544 1.00 18.73 C ATOM 771 CG1 VAL A 100 27.097 5.911 25.307 1.00 20.53 C ATOM 772 CG2 VAL A 100 28.397 5.042 27.283 1.00 19.70 C ATOM 773 H VAL A 100 26.814 7.299 27.900 1.00 0.00 H ATOM 774 N ASN A 101 25.097 3.286 28.356 1.00 12.08 N ATOM 775 CA ASN A 101 24.900 2.200 29.315 1.00 12.03 C ATOM 776 C ASN A 101 24.210 2.645 30.606 1.00 10.86 C ATOM 777 O ASN A 101 24.564 2.214 31.707 1.00 11.07 O ATOM 778 CB ASN A 101 26.225 1.476 29.600 1.00 13.53 C ATOM 779 CG ASN A 101 26.800 0.895 28.332 1.00 15.90 C ATOM 780 OD1 ASN A 101 26.077 0.335 27.497 1.00 16.75 O ATOM 781 ND2 ASN A 101 28.067 1.196 28.056 1.00 18.12 N ATOM 782 HD22 ASN A 101 28.657 1.666 28.771 1.00 0.00 H ATOM 783 HD21 ASN A 101 28.466 0.961 27.125 1.00 0.00 H ATOM 784 H ASN A 101 24.696 3.180 27.402 1.00 0.00 H ATOM 785 N ASP A 102 23.210 3.499 30.446 1.00 10.03 N ATOM 786 CA ASP A 102 22.505 4.071 31.593 1.00 9.62 C ATOM 787 C ASP A 102 21.445 3.114 32.135 1.00 9.92 C ATOM 788 O ASP A 102 20.245 3.425 32.103 1.00 12.47 O ATOM 789 CB ASP A 102 21.931 5.454 31.232 1.00 10.32 C ATOM 790 CG ASP A 102 21.430 6.269 32.416 1.00 9.39 C ATOM 791 OD1 ASP A 102 21.673 5.855 33.585 1.00 10.00 O ATOM 792 OD2 ASP A 102 20.787 7.314 32.180 1.00 10.03 O ATOM 793 H ASP A 102 22.920 3.769 29.484 1.00 0.00 H ATOM 794 N LEU A 103 21.883 2.000 32.697 1.00 9.92 N ATOM 795 CA LEU A 103 20.949 1.056 33.284 1.00 9.75 C ATOM 796 C LEU A 103 21.567 0.426 34.512 1.00 9.36 C ATOM 797 O LEU A 103 22.802 0.332 34.660 1.00 9.98 O ATOM 798 CB LEU A 103 20.350 0.067 32.290 1.00 12.74 C ATOM 799 CG LEU A 103 21.208 -1.037 31.727 1.00 15.48 C ATOM 800 CD1 LEU A 103 20.316 -2.055 30.972 1.00 15.05 C ATOM 801 CD2 LEU A 103 22.235 -0.517 30.718 1.00 15.54 C ATOM 802 H LEU A 103 22.903 1.799 32.719 1.00 0.00 H ATOM 803 N MET A 104 20.686 -0.015 35.407 1.00 8.55 N ATOM 804 CA MET A 104 21.049 -0.511 36.711 1.00 8.38 C ATOM 805 C MET A 104 19.996 -1.436 37.237 1.00 9.00 C ATOM 806 O MET A 104 18.803 -1.164 37.051 1.00 9.62 O ATOM 807 CB MET A 104 21.267 0.691 37.660 1.00 9.02 C ATOM 808 CG MET A 104 21.585 0.333 39.105 1.00 8.90 C ATOM 809 SD MET A 104 21.927 1.775 40.143 1.00 9.82 S ATOM 810 CE MET A 104 20.252 2.488 40.283 1.00 8.79 C ATOM 811 H MET A 104 19.678 -0.001 35.151 1.00 0.00 H ATOM 812 N LEU A 105 20.434 -2.499 37.909 1.00 8.57 N ATOM 813 CA LEU A 105 19.525 -3.397 38.581 1.00 8.42 C ATOM 814 C LEU A 105 19.561 -3.154 40.087 1.00 9.61 C ATOM 815 O LEU A 105 20.641 -3.041 40.674 1.00 10.69 O ATOM 816 CB LEU A 105 19.884 -4.856 38.256 1.00 9.73 C ATOM 817 CG LEU A 105 19.392 -5.299 36.892 1.00 10.80 C ATOM 818 CD1 LEU A 105 20.181 -6.480 36.390 1.00 12.68 C ATOM 819 CD2 LEU A 105 17.892 -5.652 36.944 1.00 12.02 C ATOM 820 H LEU A 105 21.456 -2.687 37.951 1.00 0.00 H ATOM 821 N VAL A 106 18.387 -3.066 40.715 1.00 8.82 N ATOM 822 CA VAL A 106 18.233 -2.822 42.140 1.00 8.70 C ATOM 823 C VAL A 106 17.657 -4.062 42.764 1.00 9.19 C ATOM 824 O VAL A 106 16.621 -4.569 42.308 1.00 9.04 O ATOM 825 CB VAL A 106 17.340 -1.592 42.391 1.00 9.32 C ATOM 826 CG1 VAL A 106 16.992 -1.455 43.860 1.00 10.23 C ATOM 827 CG2 VAL A 106 17.993 -0.321 41.865 1.00 9.32 C ATOM 828 H VAL A 106 17.524 -3.180 40.147 1.00 0.00 H ATOM 829 N LYS A 107 18.340 -4.592 43.763 1.00 9.36 N ATOM 830 CA LYS A 107 17.920 -5.830 44.390 1.00 9.65 C ATOM 831 C LYS A 107 17.049 -5.529 45.602 1.00 10.22 C ATOM 832 O LYS A 107 17.529 -4.892 46.548 1.00 10.70 O ATOM 833 CB LYS A 107 19.132 -6.667 44.777 1.00 11.10 C ATOM 834 CG LYS A 107 18.762 -8.055 45.263 1.00 13.78 C ATOM 835 CD LYS A 107 20.009 -8.899 45.571 1.00 15.17 C ATOM 836 CE LYS A 107 19.665 -10.344 45.864 1.00 19.14 C ATOM 837 NZ LYS A 107 20.885 -11.154 46.185 1.00 21.89 N ATOM 838 HZ1 LYS A 107 21.538 -11.131 45.376 1.00 0.00 H ATOM 839 HZ2 LYS A 107 21.355 -10.754 47.022 1.00 0.00 H ATOM 840 HZ3 LYS A 107 20.606 -12.137 46.379 1.00 0.00 H ATOM 841 H LYS A 107 19.196 -4.112 44.107 1.00 0.00 H ATOM 842 N LEU A 108 15.790 -5.962 45.592 1.00 9.86 N ATOM 843 CA LEU A 108 14.909 -5.723 46.741 1.00 10.24 C ATOM 844 C LEU A 108 15.373 -6.551 47.934 1.00 11.25 C ATOM 845 O LEU A 108 15.849 -7.677 47.768 1.00 12.07 O ATOM 846 CB LEU A 108 13.471 -6.135 46.386 1.00 10.72 C ATOM 847 CG LEU A 108 12.881 -5.430 45.176 1.00 11.43 C ATOM 848 CD1 LEU A 108 11.491 -5.950 44.879 1.00 13.43 C ATOM 849 CD2 LEU A 108 12.833 -3.939 45.403 1.00 13.90 C ATOM 850 H LEU A 108 15.428 -6.474 44.763 1.00 0.00 H ATOM 851 N ASN A 109 15.242 -6.010 49.137 1.00 10.72 N ATOM 852 CA ASN A 109 15.680 -6.753 50.337 1.00 11.17 C ATOM 853 C ASN A 109 14.739 -7.879 50.699 1.00 13.75 C ATOM 854 O ASN A 109 15.138 -8.835 51.393 1.00 13.93 O ATOM 855 CB ASN A 109 15.818 -5.829 51.531 1.00 11.63 C ATOM 856 CG ASN A 109 17.013 -4.912 51.432 1.00 12.02 C ATOM 857 OD1 ASN A 109 17.772 -4.885 50.438 1.00 12.20 O ATOM 858 ND2 ASN A 109 17.185 -4.084 52.447 1.00 13.01 N ATOM 859 HD22 ASN A 109 16.543 -4.123 53.264 1.00 0.00 H ATOM 860 HD21 ASN A 109 17.963 -3.394 52.429 1.00 0.00 H ATOM 861 H ASN A 109 14.830 -5.060 49.237 1.00 0.00 H ATOM 862 N SER A 110 13.450 -7.703 50.344 1.00 12.89 N ATOM 863 CA SER A 110 12.369 -8.671 50.565 1.00 13.53 C ATOM 864 C SER A 110 11.565 -8.764 49.266 1.00 15.12 C ATOM 865 O SER A 110 11.530 -7.762 48.525 1.00 12.47 O ATOM 866 CB SER A 110 11.490 -8.255 51.747 1.00 16.70 C ATOM 867 OG SER A 110 10.891 -6.981 51.582 1.00 20.50 O ATOM 868 HG SER A 110 10.319 -6.989 50.774 1.00 0.00 H ATOM 869 H SER A 110 13.202 -6.808 49.875 1.00 0.00 H ATOM 870 N GLN A 111 10.964 -9.959 48.961 1.00 14.52 N ATOM 871 CA GLN A 111 10.221 -10.155 47.708 1.00 15.15 C ATOM 872 C GLN A 111 9.025 -9.257 47.573 1.00 17.41 C ATOM 873 O GLN A 111 8.286 -9.055 48.536 1.00 18.07 O ATOM 874 CB GLN A 111 9.746 -11.597 47.540 1.00 18.34 C ATOM 875 CG GLN A 111 10.863 -12.621 47.392 1.00 28.79 C ATOM 876 CD GLN A 111 10.387 -13.923 46.786 1.00 50.94 C ATOM 877 OE1 GLN A 111 11.045 -14.501 45.915 1.00 48.18 O ATOM 878 NE2 GLN A 111 9.232 -14.415 47.220 1.00 41.87 N ATOM 879 HE22 GLN A 111 8.695 -13.911 47.954 1.00 0.00 H ATOM 880 HE21 GLN A 111 8.865 -15.304 46.825 1.00 0.00 H ATOM 881 H GLN A 111 11.036 -10.748 49.635 1.00 0.00 H ATOM 882 N ALA A 112 8.812 -8.731 46.357 1.00 14.27 N ATOM 883 CA ALA A 112 7.594 -8.020 46.031 1.00 13.74 C ATOM 884 C ALA A 112 6.465 -9.040 46.046 1.00 14.03 C ATOM 885 O ALA A 112 6.661 -10.170 45.600 1.00 15.37 O ATOM 886 CB ALA A 112 7.709 -7.444 44.642 1.00 13.75 C ATOM 887 H ALA A 112 9.544 -8.837 45.626 1.00 0.00 H ATOM 888 N ARG A 113 5.319 -8.653 46.576 1.00 12.71 N ATOM 889 CA ARG A 113 4.127 -9.489 46.586 1.00 12.59 C ATOM 890 C ARG A 113 3.370 -9.212 45.295 1.00 13.99 C ATOM 891 O ARG A 113 2.905 -8.094 45.081 1.00 13.80 O ATOM 892 CB ARG A 113 3.294 -9.120 47.811 1.00 14.65 C ATOM 893 CG ARG A 113 2.010 -9.895 48.000 1.00 17.51 C ATOM 894 CD ARG A 113 1.286 -9.467 49.273 1.00 20.92 C ATOM 895 NE ARG A 113 0.553 -8.202 49.104 1.00 28.57 N ATOM 896 CZ ARG A 113 0.911 -7.035 49.634 1.00 37.39 C ATOM 897 NH1 ARG A 113 2.008 -6.941 50.368 1.00 31.70 N ATOM 898 NH2 ARG A 113 0.173 -5.952 49.430 1.00 24.26 N ATOM 899 HE ARG A 113 -0.311 -8.222 48.526 1.00 0.00 H ATOM 900 HH12 ARG A 113 2.282 -6.026 50.779 1.00 0.00 H ATOM 901 HH11 ARG A 113 2.596 -7.782 50.534 1.00 0.00 H ATOM 902 HH22 ARG A 113 0.458 -5.043 49.847 1.00 0.00 H ATOM 903 HH21 ARG A 113 -0.690 -6.012 48.853 1.00 0.00 H ATOM 904 H ARG A 113 5.265 -7.708 47.006 1.00 0.00 H ATOM 905 N LEU A 114 3.246 -10.215 44.420 1.00 13.22 N ATOM 906 CA LEU A 114 2.609 -10.075 43.120 1.00 13.54 C ATOM 907 C LEU A 114 1.114 -10.152 43.242 1.00 16.16 C ATOM 908 O LEU A 114 0.590 -10.861 44.111 1.00 17.40 O ATOM 909 CB LEU A 114 3.113 -11.157 42.136 1.00 13.42 C ATOM 910 CG LEU A 114 4.636 -11.220 41.889 1.00 14.72 C ATOM 911 CD1 LEU A 114 5.000 -12.366 40.927 1.00 16.49 C ATOM 912 CD2 LEU A 114 5.188 -9.901 41.343 1.00 16.77 C ATOM 913 H LEU A 114 3.626 -11.147 44.683 1.00 0.00 H ATOM 914 N SER A 115 0.424 -9.444 42.333 1.00 15.94 N ATOM 915 CA SER A 115 -1.039 -9.388 42.257 1.00 17.38 C ATOM 916 C SER A 115 -1.491 -8.668 40.981 1.00 19.51 C ATOM 917 O SER A 115 -0.670 -8.353 40.136 1.00 17.68 O ATOM 918 CB SER A 115 -1.568 -8.611 43.453 1.00 21.75 C ATOM 919 OG SER A 115 -1.360 -7.218 43.255 1.00 27.34 O ATOM 920 HG SER A 115 -0.391 -7.041 43.152 1.00 0.00 H ATOM 921 H SER A 115 0.966 -8.897 41.634 1.00 0.00 H ATOM 922 N SER A 116 -2.808 -8.372 40.845 1.00 19.26 N ATOM 923 CA SER A 116 -3.289 -7.598 39.696 1.00 19.08 C ATOM 924 C SER A 116 -2.640 -6.192 39.655 1.00 21.51 C ATOM 925 O SER A 116 -2.547 -5.614 38.572 1.00 22.02 O ATOM 926 CB SER A 116 -4.813 -7.473 39.719 1.00 22.30 C ATOM 927 OG SER A 116 -5.227 -6.788 40.891 1.00 29.35 O ATOM 928 HG SER A 116 -6.214 -6.712 40.896 1.00 0.00 H ATOM 929 H SER A 116 -3.485 -8.698 41.564 1.00 0.00 H ATOM 930 N MET A 117 -2.154 -5.673 40.823 1.00 18.62 N ATOM 931 CA MET A 117 -1.518 -4.352 40.898 1.00 17.12 C ATOM 932 C MET A 117 0.000 -4.374 40.904 1.00 15.38 C ATOM 933 O MET A 117 0.615 -3.316 40.813 1.00 13.57 O ATOM 934 CB MET A 117 -2.022 -3.546 42.090 1.00 20.74 C ATOM 935 CG MET A 117 -3.459 -3.014 41.893 1.00 25.19 C ATOM 936 SD MET A 117 -3.744 -2.014 40.388 1.00 27.96 S ATOM 937 CE MET A 117 -3.212 -0.427 40.973 1.00 25.23 C ATOM 938 H MET A 117 -2.238 -6.237 41.693 1.00 0.00 H ATOM 939 N VAL A 118 0.621 -5.577 40.986 1.00 14.04 N ATOM 940 CA VAL A 118 2.090 -5.731 40.980 1.00 11.65 C ATOM 941 C VAL A 118 2.400 -6.896 40.055 1.00 12.36 C ATOM 942 O VAL A 118 2.084 -8.047 40.390 1.00 12.55 O ATOM 943 CB VAL A 118 2.661 -5.929 42.396 1.00 12.33 C ATOM 944 CG1 VAL A 118 4.168 -6.164 42.366 1.00 11.29 C ATOM 945 CG2 VAL A 118 2.321 -4.743 43.296 1.00 12.87 C ATOM 946 H VAL A 118 0.034 -6.433 41.057 1.00 0.00 H ATOM 947 N LYS A 119 2.956 -6.606 38.899 1.00 11.83 N ATOM 948 CA LYS A 119 3.222 -7.591 37.852 1.00 12.41 C ATOM 949 C LYS A 119 4.600 -7.449 37.320 1.00 12.23 C ATOM 950 O LYS A 119 5.140 -6.335 37.296 1.00 13.19 O ATOM 951 CB LYS A 119 2.210 -7.350 36.708 1.00 14.90 C ATOM 952 CG LYS A 119 2.226 -8.324 35.528 1.00 20.93 C ATOM 953 CD LYS A 119 0.966 -8.202 34.648 1.00 31.41 C ATOM 954 CE LYS A 119 0.978 -7.033 33.690 1.00 44.94 C ATOM 955 NZ LYS A 119 -0.007 -7.210 32.589 1.00 59.71 N ATOM 956 HZ1 LYS A 119 0.223 -8.072 32.055 1.00 0.00 H ATOM 957 HZ2 LYS A 119 -0.963 -7.294 32.991 1.00 0.00 H ATOM 958 HZ3 LYS A 119 0.033 -6.387 31.954 1.00 0.00 H ATOM 959 H LYS A 119 3.222 -5.617 38.719 1.00 0.00 H ATOM 960 N LYS A 120 5.185 -8.538 36.871 1.00 12.04 N ATOM 961 CA LYS A 120 6.491 -8.491 36.214 1.00 11.60 C ATOM 962 C LYS A 120 6.343 -7.829 34.841 1.00 12.82 C ATOM 963 O LYS A 120 5.409 -8.149 34.090 1.00 13.53 O ATOM 964 CB LYS A 120 7.041 -9.914 36.040 1.00 14.28 C ATOM 965 CG LYS A 120 7.214 -10.634 37.378 1.00 15.73 C ATOM 966 CD LYS A 120 7.949 -11.975 37.256 1.00 17.24 C ATOM 967 CE LYS A 120 7.142 -13.061 36.584 1.00 23.28 C ATOM 968 NZ LYS A 120 7.809 -14.382 36.715 1.00 28.41 N ATOM 969 HZ1 LYS A 120 8.748 -14.341 36.270 1.00 0.00 H ATOM 970 HZ2 LYS A 120 7.912 -14.619 37.722 1.00 0.00 H ATOM 971 HZ3 LYS A 120 7.232 -15.108 36.244 1.00 0.00 H ATOM 972 H LYS A 120 4.707 -9.455 36.986 1.00 0.00 H ATOM 973 N VAL A 121 7.301 -6.994 34.478 1.00 11.06 N ATOM 974 CA VAL A 121 7.288 -6.370 33.160 1.00 11.50 C ATOM 975 C VAL A 121 7.575 -7.388 32.075 1.00 12.51 C ATOM 976 O VAL A 121 8.273 -8.365 32.310 1.00 13.24 O ATOM 977 CB VAL A 121 8.315 -5.210 33.136 1.00 12.35 C ATOM 978 CG1 VAL A 121 9.752 -5.734 33.011 1.00 13.42 C ATOM 979 CG2 VAL A 121 7.993 -4.197 32.028 1.00 12.83 C ATOM 980 H VAL A 121 8.074 -6.779 35.140 1.00 0.00 H ATOM 981 N ARG A 122 7.085 -7.126 30.872 1.00 13.32 N ATOM 982 CA ARG A 122 7.416 -7.952 29.720 1.00 13.39 C ATOM 983 C ARG A 122 8.641 -7.355 29.032 1.00 13.71 C ATOM 984 O ARG A 122 8.576 -6.270 28.441 1.00 14.40 O ATOM 985 CB ARG A 122 6.236 -8.058 28.754 1.00 16.51 C ATOM 986 CG ARG A 122 6.491 -9.059 27.633 1.00 25.07 C ATOM 987 CD ARG A 122 5.263 -9.276 26.762 1.00 37.66 C ATOM 988 NE ARG A 122 5.528 -10.214 25.666 1.00 54.61 N ATOM 989 CZ ARG A 122 5.309 -11.526 25.724 1.00 74.52 C ATOM 990 NH1 ARG A 122 4.816 -12.077 26.828 1.00 64.90 N ATOM 991 NH2 ARG A 122 5.579 -12.297 24.679 1.00 62.67 N ATOM 992 HE ARG A 122 5.914 -9.827 24.781 1.00 0.00 H ATOM 993 HH12 ARG A 122 4.647 -13.102 26.867 1.00 0.00 H ATOM 994 HH11 ARG A 122 4.599 -11.483 27.653 1.00 0.00 H ATOM 995 HH22 ARG A 122 5.406 -13.321 24.730 1.00 0.00 H ATOM 996 HH21 ARG A 122 5.964 -11.877 23.809 1.00 0.00 H ATOM 997 H ARG A 122 6.450 -6.312 30.748 1.00 0.00 H ATOM 998 N LEU A 123 9.753 -8.050 29.158 1.00 13.76 N ATOM 999 CA LEU A 123 10.998 -7.651 28.521 1.00 13.98 C ATOM 1000 C LEU A 123 10.935 -7.957 27.028 1.00 15.24 C ATOM 1001 O LEU A 123 10.193 -8.848 26.618 1.00 17.13 O ATOM 1002 CB LEU A 123 12.190 -8.340 29.183 1.00 14.54 C ATOM 1003 CG LEU A 123 12.503 -7.875 30.626 1.00 16.45 C ATOM 1004 CD1 LEU A 123 13.615 -8.706 31.219 1.00 19.24 C ATOM 1005 CD2 LEU A 123 12.880 -6.401 30.682 1.00 15.81 C ATOM 1006 H LEU A 123 9.740 -8.916 29.734 1.00 0.00 H ATOM 1007 N PRO A 124 11.687 -7.218 26.205 1.00 13.91 N ATOM 1008 CA PRO A 124 11.591 -7.399 24.756 1.00 14.19 C ATOM 1009 C PRO A 124 12.359 -8.594 24.237 1.00 19.07 C ATOM 1010 O PRO A 124 13.408 -8.955 24.779 1.00 18.72 O ATOM 1011 CB PRO A 124 12.219 -6.110 24.225 1.00 15.03 C ATOM 1012 CG PRO A 124 13.230 -5.757 25.241 1.00 16.14 C ATOM 1013 CD PRO A 124 12.617 -6.129 26.551 1.00 13.28 C ATOM 1014 N SER A 125 11.853 -9.167 23.144 1.00 19.61 N ATOM 1015 CA SER A 125 12.528 -10.237 22.410 1.00 20.40 C ATOM 1016 C SER A 125 13.092 -9.671 21.093 1.00 22.21 C ATOM 1017 O SER A 125 13.916 -10.316 20.433 1.00 22.59 O ATOM 1018 CB SER A 125 11.592 -11.415 22.137 1.00 26.78 C ATOM 1019 OG SER A 125 10.478 -11.024 21.351 1.00 40.04 O ATOM 1020 HG SER A 125 9.968 -10.323 21.829 1.00 0.00 H ATOM 1021 H SER A 125 10.931 -8.836 22.796 1.00 0.00 H ATOM 1022 N ARG A 128 12.621 -8.475 20.694 1.00 18.12 N ATOM 1023 CA ARG A 128 13.031 -7.794 19.471 1.00 17.28 C ATOM 1024 C ARG A 128 13.061 -6.289 19.721 1.00 16.25 C ATOM 1025 O ARG A 128 12.454 -5.799 20.685 1.00 16.55 O ATOM 1026 CB ARG A 128 12.032 -8.113 18.339 1.00 20.56 C ATOM 1027 CG ARG A 128 12.186 -9.514 17.742 1.00 35.99 C ATOM 1028 CD ARG A 128 11.157 -9.836 16.661 1.00 45.04 C ATOM 1029 NE ARG A 128 10.772 -8.669 15.859 1.00 50.86 N ATOM 1030 CZ ARG A 128 11.521 -8.115 14.910 1.00 59.12 C ATOM 1031 NH1 ARG A 128 12.730 -8.596 14.640 1.00 54.13 N ATOM 1032 NH2 ARG A 128 11.084 -7.055 14.249 1.00 29.28 N ATOM 1033 HE ARG A 128 9.842 -8.243 16.047 1.00 0.00 H ATOM 1034 HH12 ARG A 128 13.310 -8.157 13.896 1.00 0.00 H ATOM 1035 HH11 ARG A 128 13.096 -9.411 15.172 1.00 0.00 H ATOM 1036 HH22 ARG A 128 11.673 -6.625 13.508 1.00 0.00 H ATOM 1037 HH21 ARG A 128 10.151 -6.652 14.471 1.00 0.00 H ATOM 1038 H ARG A 128 11.917 -8.005 21.298 1.00 0.00 H ATOM 1039 N CYS A 129 13.752 -5.561 18.836 1.00 15.30 N ATOM 1040 CA CYS A 129 13.839 -4.102 18.909 1.00 14.24 C ATOM 1041 C CYS A 129 12.751 -3.490 18.042 1.00 14.48 C ATOM 1042 O CYS A 129 12.719 -3.726 16.822 1.00 16.36 O ATOM 1043 CB CYS A 129 15.214 -3.627 18.448 1.00 15.29 C ATOM 1044 SG CYS A 129 16.595 -4.363 19.354 1.00 17.56 S ATOM 1045 H CYS A 129 14.247 -6.052 18.065 1.00 0.00 H ATOM 1046 N GLU A 130 11.878 -2.704 18.627 1.00 13.20 N ATOM 1047 CA GLU A 130 10.861 -2.007 17.834 1.00 13.50 C ATOM 1048 C GLU A 130 11.531 -0.891 17.036 1.00 13.77 C ATOM 1049 O GLU A 130 12.403 -0.203 17.549 1.00 14.12 O ATOM 1050 CB GLU A 130 9.733 -1.448 18.707 1.00 14.74 C ATOM 1051 CG GLU A 130 8.815 -2.519 19.306 1.00 17.78 C ATOM 1052 CD GLU A 130 7.957 -3.356 18.369 1.00 26.31 C ATOM 1053 OE1 GLU A 130 7.864 -3.013 17.167 1.00 22.50 O ATOM 1054 OE2 GLU A 130 7.379 -4.364 18.838 1.00 25.74 O ATOM 1055 H GLU A 130 11.908 -2.575 19.659 1.00 0.00 H ATOM 1056 N PRO A 131 11.143 -0.696 15.769 1.00 13.84 N ATOM 1057 CA PRO A 131 11.848 0.289 14.935 1.00 13.96 C ATOM 1058 C PRO A 131 11.395 1.731 15.142 1.00 13.56 C ATOM 1059 O PRO A 131 10.260 1.998 15.589 1.00 13.03 O ATOM 1060 CB PRO A 131 11.485 -0.161 13.504 1.00 15.55 C ATOM 1061 CG PRO A 131 10.131 -0.760 13.649 1.00 16.40 C ATOM 1062 CD PRO A 131 10.183 -1.487 14.984 1.00 14.09 C ATOM 1063 N PRO A 132 12.248 2.691 14.737 1.00 13.27 N ATOM 1064 CA PRO A 132 11.805 4.078 14.594 1.00 12.77 C ATOM 1065 C PRO A 132 10.465 4.163 13.862 1.00 12.63 C ATOM 1066 O PRO A 132 10.193 3.400 12.922 1.00 12.56 O ATOM 1067 CB PRO A 132 12.939 4.711 13.770 1.00 14.88 C ATOM 1068 CG PRO A 132 14.135 3.924 14.193 1.00 16.73 C ATOM 1069 CD PRO A 132 13.638 2.532 14.250 1.00 15.25 C ATOM 1070 N GLY A 133 9.626 5.075 14.324 1.00 11.79 N ATOM 1071 CA GLY A 133 8.300 5.287 13.766 1.00 12.02 C ATOM 1072 C GLY A 133 7.211 4.604 14.552 1.00 12.17 C ATOM 1073 O GLY A 133 6.032 4.855 14.273 1.00 14.09 O ATOM 1074 H GLY A 133 9.929 5.668 15.123 1.00 0.00 H ATOM 1075 N THR A 134 7.577 3.725 15.466 1.00 12.47 N ATOM 1076 CA THR A 134 6.606 3.049 16.312 1.00 12.21 C ATOM 1077 C THR A 134 6.094 4.003 17.401 1.00 12.67 C ATOM 1078 O THR A 134 6.886 4.689 18.042 1.00 11.98 O ATOM 1079 CB THR A 134 7.254 1.818 16.954 1.00 12.41 C ATOM 1080 OG1 THR A 134 7.779 0.957 15.926 1.00 14.76 O ATOM 1081 CG2 THR A 134 6.263 0.986 17.810 1.00 15.61 C ATOM 1082 HG1 THR A 134 8.457 1.450 15.399 1.00 0.00 H ATOM 1083 H THR A 134 8.588 3.510 15.585 1.00 0.00 H ATOM 1084 N THR A 135 4.773 3.998 17.638 1.00 12.71 N ATOM 1085 CA THR A 135 4.167 4.749 18.758 1.00 12.67 C ATOM 1086 C THR A 135 4.349 3.963 20.045 1.00 13.44 C ATOM 1087 O THR A 135 4.093 2.751 20.085 1.00 14.51 O ATOM 1088 CB THR A 135 2.656 5.001 18.494 1.00 17.42 C ATOM 1089 OG1 THR A 135 2.519 5.906 17.396 1.00 21.25 O ATOM 1090 CG2 THR A 135 1.925 5.603 19.699 1.00 19.20 C ATOM 1091 HG1 THR A 135 2.938 5.511 16.590 1.00 0.00 H ATOM 1092 H THR A 135 4.153 3.446 17.011 1.00 0.00 H ATOM 1093 N CYS A 136 4.784 4.641 21.092 1.00 11.65 N ATOM 1094 CA CYS A 136 5.040 4.059 22.393 1.00 11.33 C ATOM 1095 C CYS A 136 4.471 4.954 23.481 1.00 10.99 C ATOM 1096 O CYS A 136 4.042 6.075 23.215 1.00 12.26 O ATOM 1097 CB CYS A 136 6.545 3.890 22.574 1.00 12.41 C ATOM 1098 SG CYS A 136 7.357 2.987 21.242 1.00 16.78 S ATOM 1099 H CYS A 136 4.954 5.660 20.974 1.00 0.00 H ATOM 1100 N THR A 137 4.502 4.459 24.723 1.00 10.30 N ATOM 1101 CA THR A 137 4.034 5.259 25.862 1.00 9.42 C ATOM 1102 C THR A 137 5.125 5.319 26.918 1.00 10.43 C ATOM 1103 O THR A 137 5.718 4.298 27.249 1.00 10.53 O ATOM 1104 CB THR A 137 2.788 4.640 26.483 1.00 10.75 C ATOM 1105 OG1 THR A 137 1.767 4.494 25.480 1.00 13.54 O ATOM 1106 CG2 THR A 137 2.249 5.419 27.671 1.00 11.78 C ATOM 1107 HG1 THR A 137 1.542 5.383 25.108 1.00 0.00 H ATOM 1108 H THR A 137 4.862 3.497 24.884 1.00 0.00 H ATOM 1109 N VAL A 138 5.407 6.513 27.422 1.00 8.57 N ATOM 1110 CA VAL A 138 6.339 6.740 28.524 1.00 7.77 C ATOM 1111 C VAL A 138 5.540 7.218 29.738 1.00 8.32 C ATOM 1112 O VAL A 138 4.656 8.069 29.607 1.00 8.24 O ATOM 1113 CB VAL A 138 7.540 7.647 28.164 1.00 8.60 C ATOM 1114 CG1 VAL A 138 7.101 9.047 27.750 1.00 7.58 C ATOM 1115 CG2 VAL A 138 8.567 7.707 29.301 1.00 7.46 C ATOM 1116 H VAL A 138 4.934 7.341 27.006 1.00 0.00 H ATOM 1117 N SER A 139 5.914 6.713 30.923 1.00 8.91 N ATOM 1118 CA SER A 139 5.176 7.003 32.127 1.00 8.27 C ATOM 1119 C SER A 139 6.085 7.348 33.287 1.00 8.85 C ATOM 1120 O SER A 139 7.229 6.851 33.373 1.00 9.09 O ATOM 1121 CB SER A 139 4.276 5.817 32.453 1.00 10.09 C ATOM 1122 OG SER A 139 5.020 4.617 32.488 1.00 10.98 O ATOM 1123 HG SER A 139 5.441 4.465 31.605 1.00 0.00 H ATOM 1124 H SER A 139 6.753 6.100 30.974 1.00 0.00 H ATOM 1125 N GLY A 140 5.584 8.177 34.190 1.00 8.32 N ATOM 1126 CA GLY A 140 6.362 8.531 35.361 1.00 8.41 C ATOM 1127 C GLY A 140 5.674 9.513 36.263 1.00 7.86 C ATOM 1128 O GLY A 140 4.616 10.082 35.928 1.00 8.34 O ATOM 1129 H GLY A 140 4.632 8.574 34.059 1.00 0.00 H ATOM 1130 N TRP A 141 6.308 9.730 37.417 1.00 7.42 N ATOM 1131 CA TRP A 141 5.861 10.691 38.425 1.00 8.01 C ATOM 1132 C TRP A 141 6.751 11.923 38.439 1.00 8.83 C ATOM 1133 O TRP A 141 6.692 12.716 39.394 1.00 9.13 O ATOM 1134 CB TRP A 141 5.873 10.036 39.809 1.00 8.91 C ATOM 1135 CG TRP A 141 4.811 9.022 40.045 1.00 8.92 C ATOM 1136 CD1 TRP A 141 3.524 9.258 40.431 1.00 10.67 C ATOM 1137 CD2 TRP A 141 4.972 7.603 40.027 1.00 8.80 C ATOM 1138 NE1 TRP A 141 2.869 8.071 40.653 1.00 10.43 N ATOM 1139 CE2 TRP A 141 3.732 7.038 40.420 1.00 10.60 C ATOM 1140 CE3 TRP A 141 6.041 6.745 39.733 1.00 9.62 C ATOM 1141 CZ2 TRP A 141 3.535 5.659 40.529 1.00 10.89 C ATOM 1142 CZ3 TRP A 141 5.831 5.374 39.834 1.00 11.25 C ATOM 1143 CH2 TRP A 141 4.581 4.855 40.217 1.00 11.74 C ATOM 1144 HE1 TRP A 141 1.877 7.974 40.950 1.00 0.00 H ATOM 1145 H TRP A 141 7.171 9.183 37.611 1.00 0.00 H ATOM 1146 N GLY A 142 7.550 12.121 37.397 1.00 8.21 N ATOM 1147 CA GLY A 142 8.412 13.288 37.335 1.00 8.75 C ATOM 1148 C GLY A 142 7.629 14.577 37.169 1.00 8.50 C ATOM 1149 O GLY A 142 6.396 14.600 37.001 1.00 8.72 O ATOM 1150 H GLY A 142 7.559 11.433 36.617 1.00 0.00 H ATOM 1151 N THR A 143 8.359 15.674 37.182 1.00 8.93 N ATOM 1152 CA THR A 143 7.714 16.983 37.074 1.00 8.52 C ATOM 1153 C THR A 143 6.914 17.119 35.782 1.00 8.95 C ATOM 1154 O THR A 143 7.308 16.601 34.721 1.00 9.39 O ATOM 1155 CB THR A 143 8.754 18.087 37.240 1.00 9.68 C ATOM 1156 OG1 THR A 143 8.079 19.342 37.255 1.00 9.67 O ATOM 1157 CG2 THR A 143 9.830 18.076 36.169 1.00 11.77 C ATOM 1158 HG1 THR A 143 7.589 19.462 36.403 1.00 0.00 H ATOM 1159 H THR A 143 9.393 15.609 37.269 1.00 0.00 H ATOM 1160 N THR A 144 5.794 17.848 35.901 1.00 8.98 N ATOM 1161 CA THR A 144 4.914 18.158 34.782 1.00 9.70 C ATOM 1162 C THR A 144 5.177 19.530 34.241 1.00 10.19 C ATOM 1163 O THR A 144 4.564 19.932 33.243 1.00 10.94 O ATOM 1164 CB THR A 144 3.440 17.977 35.182 1.00 10.35 C ATOM 1165 OG1 THR A 144 3.177 18.903 36.240 1.00 10.64 O ATOM 1166 CG2 THR A 144 3.129 16.567 35.609 1.00 10.87 C ATOM 1167 HG1 THR A 144 2.233 18.816 36.526 1.00 0.00 H ATOM 1168 H THR A 144 5.541 18.211 36.842 1.00 0.00 H ATOM 1169 N THR A 145 6.037 20.289 34.902 1.00 9.99 N ATOM 1170 CA THR A 145 6.400 21.647 34.526 1.00 10.70 C ATOM 1171 C THR A 145 7.913 21.776 34.472 1.00 12.15 C ATOM 1172 O THR A 145 8.643 21.003 35.095 1.00 11.19 O ATOM 1173 CB THR A 145 5.819 22.665 35.531 1.00 11.71 C ATOM 1174 OG1 THR A 145 6.271 22.350 36.850 1.00 12.07 O ATOM 1175 CG2 THR A 145 4.303 22.696 35.499 1.00 14.12 C ATOM 1176 HG1 THR A 145 7.260 22.389 36.877 1.00 0.00 H ATOM 1177 H THR A 145 6.485 19.886 35.750 1.00 0.00 H ATOM 1178 N SER A 146 8.386 22.809 33.769 1.00 12.85 N ATOM 1179 CA SER A 146 9.820 23.083 33.726 1.00 13.42 C ATOM 1180 C SER A 146 10.028 24.507 33.248 1.00 17.76 C ATOM 1181 O SER A 146 9.304 24.919 32.365 1.00 18.49 O ATOM 1182 CB SER A 146 10.528 22.107 32.796 1.00 13.94 C ATOM 1183 OG SER A 146 11.945 22.143 32.941 1.00 13.33 O ATOM 1184 HG SER A 146 12.186 21.907 33.872 1.00 0.00 H ATOM 1185 H SER A 146 7.728 23.423 33.248 1.00 0.00 H ATOM 1186 N PRO A 147 10.939 25.292 33.868 1.00 17.44 N ATOM 1187 CA PRO A 147 11.907 24.909 34.902 1.00 17.59 C ATOM 1188 C PRO A 147 11.358 24.756 36.320 1.00 20.60 C ATOM 1189 O PRO A 147 12.020 24.119 37.132 1.00 22.14 O ATOM 1190 CB PRO A 147 12.965 26.016 34.809 1.00 20.76 C ATOM 1191 CG PRO A 147 12.169 27.207 34.392 1.00 26.35 C ATOM 1192 CD PRO A 147 11.167 26.684 33.416 1.00 20.64 C ATOM 1193 N ASP A 148 10.155 25.307 36.609 1.00 17.95 N ATOM 1194 CA ASP A 148 9.539 25.137 37.923 1.00 17.73 C ATOM 1195 C ASP A 148 9.206 23.674 38.095 1.00 16.70 C ATOM 1196 O ASP A 148 8.814 23.027 37.111 1.00 17.60 O ATOM 1197 CB ASP A 148 8.255 25.974 38.046 1.00 20.22 C ATOM 1198 CG ASP A 148 8.460 27.475 38.113 1.00 30.03 C ATOM 1199 OD1 ASP A 148 9.617 27.912 38.289 1.00 31.11 O ATOM 1200 OD2 ASP A 148 7.459 28.213 38.008 1.00 36.54 O ATOM 1201 H ASP A 148 9.660 25.862 35.882 1.00 0.00 H ATOM 1202 N VAL A 149 9.470 23.089 39.267 1.00 14.37 N ATOM 1203 CA VAL A 149 9.104 21.689 39.467 1.00 13.16 C ATOM 1204 C VAL A 149 7.725 21.605 40.091 1.00 11.59 C ATOM 1205 O VAL A 149 7.359 22.422 40.956 1.00 10.71 O ATOM 1206 CB VAL A 149 10.135 20.767 40.175 1.00 17.43 C ATOM 1207 CG1 VAL A 149 11.384 20.561 39.315 1.00 17.75 C ATOM 1208 CG2 VAL A 149 10.487 21.251 41.581 1.00 18.07 C ATOM 1209 H VAL A 149 9.932 23.625 40.029 1.00 0.00 H ATOM 1210 N THR A 150 6.956 20.629 39.587 1.00 10.97 N ATOM 1211 CA THR A 150 5.600 20.303 40.061 1.00 11.29 C ATOM 1212 C THR A 150 5.467 18.814 39.951 1.00 12.36 C ATOM 1213 O THR A 150 5.417 18.279 38.840 1.00 11.07 O ATOM 1214 CB THR A 150 4.527 21.014 39.260 1.00 11.93 C ATOM 1215 OG1 THR A 150 4.818 22.398 39.176 1.00 12.53 O ATOM 1216 CG2 THR A 150 3.143 20.855 39.886 1.00 14.59 C ATOM 1217 HG1 THR A 150 5.693 22.524 38.731 1.00 0.00 H ATOM 1218 H THR A 150 7.344 20.062 38.806 1.00 0.00 H ATOM 1219 N PHE A 151 5.471 18.118 41.086 1.00 13.15 N ATOM 1220 CA PHE A 151 5.467 16.655 41.138 1.00 13.55 C ATOM 1221 C PHE A 151 4.091 16.093 41.342 1.00 14.06 C ATOM 1222 O PHE A 151 3.490 16.356 42.392 1.00 14.75 O ATOM 1223 CB PHE A 151 6.473 16.139 42.195 1.00 14.72 C ATOM 1224 CG PHE A 151 7.938 16.277 41.872 1.00 17.56 C ATOM 1225 CD1 PHE A 151 8.487 15.632 40.779 1.00 17.19 C ATOM 1226 CD2 PHE A 151 8.788 16.985 42.713 1.00 22.93 C ATOM 1227 CE1 PHE A 151 9.845 15.754 40.473 1.00 17.79 C ATOM 1228 CE2 PHE A 151 10.163 17.058 42.441 1.00 25.43 C ATOM 1229 CZ PHE A 151 10.682 16.448 41.318 1.00 21.92 C ATOM 1230 H PHE A 151 5.477 18.642 41.984 1.00 0.00 H ATOM 1231 N PRO A 152 3.550 15.347 40.362 1.00 12.39 N ATOM 1232 CA PRO A 152 2.202 14.811 40.513 1.00 13.25 C ATOM 1233 C PRO A 152 2.142 13.594 41.420 1.00 13.46 C ATOM 1234 O PRO A 152 3.063 12.763 41.391 1.00 13.62 O ATOM 1235 CB PRO A 152 1.839 14.387 39.075 1.00 13.01 C ATOM 1236 CG PRO A 152 3.184 13.905 38.541 1.00 12.86 C ATOM 1237 CD PRO A 152 4.173 14.895 39.101 1.00 10.54 C ATOM 1238 N SER A 153 1.058 13.412 42.140 1.00 12.33 N ATOM 1239 CA SER A 153 0.917 12.187 42.933 1.00 11.70 C ATOM 1240 C SER A 153 0.514 11.027 42.029 1.00 12.09 C ATOM 1241 O SER A 153 0.865 9.881 42.342 1.00 12.18 O ATOM 1242 CB SER A 153 -0.124 12.370 44.025 1.00 13.98 C ATOM 1243 OG SER A 153 0.294 13.353 44.958 1.00 14.57 O ATOM 1244 HG SER A 153 -0.397 13.456 45.659 1.00 0.00 H ATOM 1245 H SER A 153 0.306 14.131 42.147 1.00 0.00 H ATOM 1246 N ASP A 154 -0.246 11.312 40.946 1.00 13.43 N ATOM 1247 CA ASP A 154 -0.713 10.265 40.044 1.00 12.45 C ATOM 1248 C ASP A 154 0.236 10.045 38.911 1.00 10.81 C ATOM 1249 O ASP A 154 0.752 11.000 38.315 1.00 11.43 O ATOM 1250 CB ASP A 154 -2.131 10.543 39.524 1.00 17.16 C ATOM 1251 CG ASP A 154 -3.173 10.343 40.605 1.00 30.75 C ATOM 1252 OD1 ASP A 154 -2.813 10.426 41.797 1.00 35.65 O ATOM 1253 OD2 ASP A 154 -4.318 10.031 40.266 1.00 31.67 O ATOM 1254 H ASP A 154 -0.503 12.301 40.752 1.00 0.00 H ATOM 1255 N LEU A 155 0.447 8.778 38.578 1.00 9.39 N ATOM 1256 CA LEU A 155 1.324 8.395 37.483 1.00 8.81 C ATOM 1257 C LEU A 155 0.806 9.004 36.183 1.00 10.30 C ATOM 1258 O LEU A 155 -0.389 8.884 35.873 1.00 10.59 O ATOM 1259 CB LEU A 155 1.336 6.872 37.408 1.00 9.61 C ATOM 1260 CG LEU A 155 2.295 6.295 36.379 1.00 9.88 C ATOM 1261 CD1 LEU A 155 3.776 6.545 36.767 1.00 10.04 C ATOM 1262 CD2 LEU A 155 2.040 4.808 36.198 1.00 11.38 C ATOM 1263 H LEU A 155 -0.033 8.031 39.120 1.00 0.00 H ATOM 1264 N MET A 156 1.701 9.641 35.434 1.00 8.86 N ATOM 1265 CA MET A 156 1.360 10.315 34.184 1.00 8.69 C ATOM 1266 C MET A 156 1.918 9.533 33.012 1.00 8.96 C ATOM 1267 O MET A 156 2.961 8.855 33.112 1.00 9.43 O ATOM 1268 CB MET A 156 1.897 11.727 34.150 1.00 9.07 C ATOM 1269 CG MET A 156 1.422 12.571 35.314 1.00 9.57 C ATOM 1270 SD MET A 156 -0.374 12.921 35.264 1.00 11.86 S ATOM 1271 CE MET A 156 -0.397 14.299 34.074 1.00 13.18 C ATOM 1272 H MET A 156 2.691 9.660 35.753 1.00 0.00 H ATOM 1273 N CYS A 157 1.231 9.641 31.865 1.00 9.58 N ATOM 1274 CA CYS A 157 1.521 8.908 30.626 1.00 11.58 C ATOM 1275 C CYS A 157 1.532 9.874 29.466 1.00 10.62 C ATOM 1276 O CYS A 157 0.673 10.753 29.396 1.00 10.97 O ATOM 1277 CB CYS A 157 0.411 7.864 30.379 1.00 13.89 C ATOM 1278 SG CYS A 157 0.664 6.250 31.165 1.00 14.97 S ATOM 1279 H CYS A 157 0.426 10.299 31.852 1.00 0.00 H ATOM 1280 N VAL A 158 2.389 9.635 28.479 1.00 9.73 N ATOM 1281 CA VAL A 158 2.334 10.362 27.230 1.00 10.53 C ATOM 1282 C VAL A 158 2.756 9.432 26.106 1.00 10.45 C ATOM 1283 O VAL A 158 3.631 8.597 26.299 1.00 10.46 O ATOM 1284 CB VAL A 158 3.141 11.674 27.303 1.00 14.21 C ATOM 1285 CG1 VAL A 158 4.651 11.429 27.284 1.00 13.53 C ATOM 1286 CG2 VAL A 158 2.711 12.664 26.235 1.00 16.54 C ATOM 1287 H VAL A 158 3.119 8.906 28.608 1.00 0.00 H ATOM 1288 N ASP A 159 2.122 9.576 24.938 1.00 11.02 N ATOM 1289 CA ASP A 159 2.488 8.784 23.760 1.00 11.33 C ATOM 1290 C ASP A 159 3.483 9.554 22.903 1.00 12.27 C ATOM 1291 O ASP A 159 3.308 10.751 22.619 1.00 12.72 O ATOM 1292 CB ASP A 159 1.240 8.402 22.946 1.00 14.09 C ATOM 1293 CG ASP A 159 0.409 7.304 23.590 1.00 17.52 C ATOM 1294 OD1 ASP A 159 0.739 6.879 24.727 1.00 17.11 O ATOM 1295 OD2 ASP A 159 -0.533 6.811 22.933 1.00 24.65 O ATOM 1296 H ASP A 159 1.349 10.268 24.863 1.00 0.00 H ATOM 1297 N VAL A 160 4.536 8.868 22.499 1.00 11.28 N ATOM 1298 CA VAL A 160 5.614 9.436 21.703 1.00 12.04 C ATOM 1299 C VAL A 160 6.041 8.417 20.663 1.00 13.53 C ATOM 1300 O VAL A 160 5.858 7.209 20.845 1.00 14.79 O ATOM 1301 CB VAL A 160 6.809 9.837 22.610 1.00 13.46 C ATOM 1302 CG1 VAL A 160 6.509 11.088 23.444 1.00 14.39 C ATOM 1303 CG2 VAL A 160 7.235 8.684 23.503 1.00 13.53 C ATOM 1304 H VAL A 160 4.599 7.864 22.765 1.00 0.00 H ATOM 1305 N LYS A 161 6.699 8.880 19.616 1.00 11.75 N ATOM 1306 CA LYS A 161 7.150 8.022 18.547 1.00 11.73 C ATOM 1307 C LYS A 161 8.649 7.794 18.641 1.00 13.01 C ATOM 1308 O LYS A 161 9.396 8.749 18.902 1.00 13.08 O ATOM 1309 CB LYS A 161 6.773 8.732 17.240 1.00 14.78 C ATOM 1310 CG LYS A 161 7.040 7.985 15.950 1.00 21.21 C ATOM 1311 CD LYS A 161 6.083 8.451 14.809 1.00 23.33 C ATOM 1312 CE LYS A 161 6.153 9.923 14.435 1.00 41.14 C ATOM 1313 NZ LYS A 161 7.254 10.234 13.485 1.00 49.30 N ATOM 1314 HZ1 LYS A 161 8.165 9.975 13.915 1.00 0.00 H ATOM 1315 HZ2 LYS A 161 7.117 9.692 12.608 1.00 0.00 H ATOM 1316 HZ3 LYS A 161 7.248 11.252 13.270 1.00 0.00 H ATOM 1317 H LYS A 161 6.899 9.899 19.560 1.00 0.00 H ATOM 1318 N LEU A 162 9.107 6.563 18.385 1.00 11.75 N ATOM 1319 CA LEU A 162 10.532 6.242 18.393 1.00 12.47 C ATOM 1320 C LEU A 162 11.265 6.936 17.267 1.00 14.07 C ATOM 1321 O LEU A 162 10.765 7.019 16.138 1.00 13.80 O ATOM 1322 CB LEU A 162 10.811 4.748 18.261 1.00 13.23 C ATOM 1323 CG LEU A 162 10.287 3.884 19.368 1.00 15.25 C ATOM 1324 CD1 LEU A 162 10.761 2.451 19.198 1.00 15.60 C ATOM 1325 CD2 LEU A 162 10.739 4.394 20.750 1.00 15.28 C ATOM 1326 H LEU A 162 8.424 5.808 18.173 1.00 0.00 H ATOM 1327 N ILE A 163 12.467 7.435 17.597 1.00 12.88 N ATOM 1328 CA ILE A 163 13.363 8.172 16.731 1.00 13.20 C ATOM 1329 C ILE A 163 14.712 7.481 16.801 1.00 14.76 C ATOM 1330 O ILE A 163 15.223 7.217 17.901 1.00 14.39 O ATOM 1331 CB ILE A 163 13.472 9.656 17.183 1.00 13.44 C ATOM 1332 CG1 ILE A 163 12.123 10.394 17.160 1.00 14.45 C ATOM 1333 CG2 ILE A 163 14.529 10.411 16.365 1.00 14.71 C ATOM 1334 CD1 ILE A 163 12.084 11.689 17.964 1.00 14.74 C ATOM 1335 H ILE A 163 12.787 7.276 18.574 1.00 0.00 H ATOM 1336 N SER A 164 15.296 7.197 15.640 1.00 14.92 N ATOM 1337 CA SER A 164 16.607 6.579 15.573 1.00 14.82 C ATOM 1338 C SER A 164 17.662 7.525 16.207 1.00 16.96 C ATOM 1339 O SER A 164 17.539 8.747 16.058 1.00 16.66 O ATOM 1340 CB SER A 164 16.961 6.322 14.112 1.00 17.54 C ATOM 1341 OG SER A 164 18.299 5.887 13.962 1.00 15.87 O ATOM 1342 HG SER A 164 18.489 5.732 13.003 1.00 0.00 H ATOM 1343 H SER A 164 14.799 7.424 14.755 1.00 0.00 H ATOM 1344 N PRO A 165 18.719 6.995 16.874 1.00 15.38 N ATOM 1345 CA PRO A 165 19.758 7.898 17.421 1.00 15.85 C ATOM 1346 C PRO A 165 20.426 8.723 16.301 1.00 18.54 C ATOM 1347 O PRO A 165 20.801 9.867 16.518 1.00 18.31 O ATOM 1348 CB PRO A 165 20.741 6.940 18.106 1.00 17.17 C ATOM 1349 CG PRO A 165 20.497 5.600 17.462 1.00 21.92 C ATOM 1350 CD PRO A 165 19.034 5.578 17.172 1.00 17.05 C ATOM 1351 N GLN A 166 20.498 8.176 15.070 1.00 17.49 N ATOM 1352 CA GLN A 166 21.082 8.912 13.935 1.00 19.36 C ATOM 1353 C GLN A 166 20.244 10.146 13.573 1.00 24.46 C ATOM 1354 O GLN A 166 20.787 11.105 13.016 1.00 27.36 O ATOM 1355 CB GLN A 166 21.273 8.002 12.704 1.00 21.93 C ATOM 1356 CG GLN A 166 22.420 7.007 12.834 1.00 28.11 C ATOM 1357 CD GLN A 166 22.117 5.822 13.723 1.00 41.54 C ATOM 1358 OE1 GLN A 166 20.961 5.397 13.879 1.00 33.22 O ATOM 1359 NE2 GLN A 166 23.156 5.272 14.342 1.00 35.89 N ATOM 1360 HE22 GLN A 166 24.112 5.652 14.190 1.00 0.00 H ATOM 1361 HE21 GLN A 166 23.013 4.462 14.978 1.00 0.00 H ATOM 1362 H GLN A 166 20.133 7.214 14.919 1.00 0.00 H ATOM 1363 N ASP A 167 18.937 10.130 13.888 1.00 19.57 N ATOM 1364 CA ASP A 167 18.031 11.258 13.618 1.00 20.32 C ATOM 1365 C ASP A 167 17.875 12.153 14.828 1.00 24.56 C ATOM 1366 O ASP A 167 17.083 13.099 14.805 1.00 27.04 O ATOM 1367 CB ASP A 167 16.643 10.731 13.264 1.00 22.31 C ATOM 1368 CG ASP A 167 16.388 10.487 11.809 1.00 38.04 C ATOM 1369 OD1 ASP A 167 17.269 10.826 10.981 1.00 41.17 O ATOM 1370 OD2 ASP A 167 15.333 9.920 11.492 1.00 46.02 O ATOM 1371 H ASP A 167 18.548 9.280 14.344 1.00 0.00 H ATOM 1372 N CYS A 168 18.566 11.820 15.907 1.00 19.48 N ATOM 1373 CA CYS A 168 18.482 12.548 17.156 1.00 18.94 C ATOM 1374 C CYS A 168 19.773 13.310 17.351 1.00 22.57 C ATOM 1375 O CYS A 168 20.786 12.735 17.759 1.00 20.13 O ATOM 1376 CB CYS A 168 18.212 11.574 18.297 1.00 17.15 C ATOM 1377 SG CYS A 168 17.651 12.374 19.811 1.00 17.65 S ATOM 1378 H CYS A 168 19.199 10.997 15.855 1.00 0.00 H ATOM 1379 N THR A 169 19.734 14.621 17.061 1.00 20.95 N ATOM 1380 CA THR A 169 20.910 15.497 17.066 1.00 20.30 C ATOM 1381 C THR A 169 21.663 15.502 18.390 1.00 21.90 C ATOM 1382 O THR A 169 22.899 15.518 18.388 1.00 21.69 O ATOM 1383 CB THR A 169 20.501 16.912 16.621 1.00 27.43 C ATOM 1384 OG1 THR A 169 19.727 16.811 15.426 1.00 27.96 O ATOM 1385 CG2 THR A 169 21.695 17.842 16.395 1.00 28.89 C ATOM 1386 HG1 THR A 169 19.458 17.717 15.131 1.00 0.00 H ATOM 1387 H THR A 169 18.814 15.040 16.818 1.00 0.00 H ATOM 1388 N LYS A 170 20.943 15.442 19.522 1.00 17.80 N ATOM 1389 CA LYS A 170 21.609 15.488 20.818 1.00 17.46 C ATOM 1390 C LYS A 170 22.393 14.213 21.175 1.00 18.35 C ATOM 1391 O LYS A 170 23.209 14.252 22.103 1.00 19.43 O ATOM 1392 CB LYS A 170 20.639 15.866 21.944 1.00 16.76 C ATOM 1393 CG LYS A 170 19.566 14.812 22.224 1.00 15.58 C ATOM 1394 CD LYS A 170 18.720 15.135 23.465 1.00 16.39 C ATOM 1395 CE LYS A 170 17.955 16.443 23.417 1.00 16.40 C ATOM 1396 NZ LYS A 170 16.925 16.469 22.347 1.00 14.57 N ATOM 1397 HZ1 LYS A 170 17.383 16.334 21.423 1.00 0.00 H ATOM 1398 HZ2 LYS A 170 16.239 15.705 22.510 1.00 0.00 H ATOM 1399 HZ3 LYS A 170 16.435 17.386 22.362 1.00 0.00 H ATOM 1400 H LYS A 170 19.907 15.362 19.474 1.00 0.00 H ATOM 1401 N VAL A 171 22.154 13.100 20.468 1.00 16.82 N ATOM 1402 CA VAL A 171 22.880 11.850 20.738 1.00 17.21 C ATOM 1403 C VAL A 171 24.237 11.928 20.016 1.00 25.87 C ATOM 1404 O VAL A 171 24.277 12.165 18.807 1.00 26.65 O ATOM 1405 CB VAL A 171 22.076 10.574 20.343 1.00 19.19 C ATOM 1406 CG1 VAL A 171 22.941 9.300 20.435 1.00 18.92 C ATOM 1407 CG2 VAL A 171 20.799 10.429 21.180 1.00 18.80 C ATOM 1408 H VAL A 171 21.440 13.121 19.712 1.00 0.00 H TER 1409 VAL A 171 ATOM 1410 N ASN A 178 24.375 3.301 19.456 1.00 28.96 N ATOM 1411 CA ASN A 178 23.746 2.072 18.978 1.00 27.38 C ATOM 1412 C ASN A 178 22.962 1.347 20.080 1.00 25.20 C ATOM 1413 O ASN A 178 22.503 0.219 19.889 1.00 26.19 O ATOM 1414 CB ASN A 178 24.750 1.143 18.267 1.00 30.22 C ATOM 1415 CG ASN A 178 26.134 1.018 18.870 1.00 56.13 C ATOM 1416 OD1 ASN A 178 26.419 1.464 19.989 1.00 50.77 O ATOM 1417 ND2 ASN A 178 27.035 0.391 18.120 1.00 48.70 N ATOM 1418 HD22 ASN A 178 26.769 0.026 17.183 1.00 0.00 H ATOM 1419 HD21 ASN A 178 28.006 0.265 18.470 1.00 0.00 H ATOM 1420 HN3 ASN A 178 25.037 3.074 20.225 1.00 0.00 H ATOM 1421 HN2 ASN A 178 23.642 3.950 19.809 1.00 0.00 H ATOM 1422 HN1 ASN A 178 24.891 3.752 18.674 1.00 0.00 H ATOM 1423 N SER A 179 22.846 1.972 21.249 1.00 16.57 N ATOM 1424 CA SER A 179 22.019 1.404 22.311 1.00 14.52 C ATOM 1425 C SER A 179 21.158 2.457 22.981 1.00 13.34 C ATOM 1426 O SER A 179 20.643 2.222 24.079 1.00 12.68 O ATOM 1427 CB SER A 179 22.847 0.627 23.321 1.00 18.22 C ATOM 1428 OG SER A 179 23.835 1.481 23.865 1.00 23.82 O ATOM 1429 HG SER A 179 23.397 2.248 24.312 1.00 0.00 H ATOM 1430 H SER A 179 23.347 2.870 21.408 1.00 0.00 H ATOM 1431 N MET A 180 20.982 3.604 22.315 1.00 13.49 N ATOM 1432 CA MET A 180 20.083 4.644 22.765 1.00 13.83 C ATOM 1433 C MET A 180 19.040 4.920 21.690 1.00 14.77 C ATOM 1434 O MET A 180 19.273 4.695 20.485 1.00 15.77 O ATOM 1435 CB MET A 180 20.856 5.908 23.126 1.00 17.12 C ATOM 1436 CG MET A 180 21.669 5.737 24.417 1.00 23.56 C ATOM 1437 SD MET A 180 22.740 7.143 24.828 1.00 32.55 S ATOM 1438 CE MET A 180 23.936 7.035 23.498 1.00 31.32 C ATOM 1439 H MET A 180 21.515 3.754 21.435 1.00 0.00 H ATOM 1440 N LEU A 181 17.885 5.403 22.111 1.00 14.51 N ATOM 1441 CA LEU A 181 16.787 5.775 21.233 1.00 17.06 C ATOM 1442 C LEU A 181 16.364 7.178 21.643 1.00 13.97 C ATOM 1443 O LEU A 181 16.556 7.559 22.809 1.00 12.97 O ATOM 1444 CB LEU A 181 15.534 4.855 21.506 1.00 19.41 C ATOM 1445 CG LEU A 181 15.522 3.375 21.107 1.00 26.08 C ATOM 1446 CD1 LEU A 181 14.500 2.618 21.941 1.00 26.21 C ATOM 1447 CD2 LEU A 181 15.151 3.209 19.656 1.00 28.13 C ATOM 1448 H LEU A 181 17.752 5.525 23.135 1.00 0.00 H ATOM 1449 N CYS A 182 15.680 7.905 20.763 1.00 11.90 N ATOM 1450 CA CYS A 182 14.994 9.110 21.167 1.00 11.86 C ATOM 1451 C CYS A 182 13.504 8.894 20.960 1.00 12.15 C ATOM 1452 O CYS A 182 13.104 7.923 20.289 1.00 12.39 O ATOM 1453 CB CYS A 182 15.517 10.334 20.435 1.00 12.39 C ATOM 1454 SG CYS A 182 17.186 10.769 20.931 1.00 15.09 S ATOM 1455 H CYS A 182 15.639 7.601 19.769 1.00 0.00 H ATOM 1456 N ALA A 183 12.676 9.741 21.545 1.00 11.02 N ATOM 1457 CA ALA A 183 11.244 9.628 21.298 1.00 11.06 C ATOM 1458 C ALA A 183 10.567 10.965 21.465 1.00 12.03 C ATOM 1459 O ALA A 183 10.923 11.726 22.383 1.00 11.79 O ATOM 1460 CB ALA A 183 10.596 8.595 22.213 1.00 11.71 C ATOM 1461 H ALA A 183 13.043 10.482 22.176 1.00 0.00 H ATOM 1462 N GLY A 184 9.630 11.270 20.596 1.00 11.97 N ATOM 1463 CA GLY A 184 8.901 12.523 20.644 1.00 12.69 C ATOM 1464 C GLY A 184 7.859 12.543 19.561 1.00 15.20 C ATOM 1465 O GLY A 184 7.688 11.557 18.845 1.00 15.30 O ATOM 1466 H GLY A 184 9.402 10.587 19.845 1.00 0.00 H ATOM 1467 N ILE A 185 7.136 13.667 19.478 1.00 14.64 N ATOM 1468 CA ILE A 185 6.109 13.931 18.471 1.00 15.05 C ATOM 1469 C ILE A 185 6.535 15.202 17.750 1.00 17.94 C ATOM 1470 O ILE A 185 6.840 16.178 18.432 1.00 15.67 O ATOM 1471 CB ILE A 185 4.705 14.062 19.133 1.00 17.48 C ATOM 1472 CG1 ILE A 185 4.251 12.769 19.852 1.00 17.53 C ATOM 1473 CG2 ILE A 185 3.639 14.513 18.128 1.00 19.24 C ATOM 1474 CD1 ILE A 185 4.002 11.557 18.921 1.00 19.47 C ATOM 1475 H ILE A 185 7.319 14.409 20.184 1.00 0.00 H ATOM 1476 N PRO A 186 6.584 15.226 16.396 1.00 16.95 N ATOM 1477 CA PRO A 186 6.984 16.463 15.718 1.00 17.27 C ATOM 1478 C PRO A 186 6.139 17.642 16.167 1.00 19.26 C ATOM 1479 O PRO A 186 4.907 17.532 16.301 1.00 18.40 O ATOM 1480 CB PRO A 186 6.742 16.159 14.234 1.00 20.29 C ATOM 1481 CG PRO A 186 6.728 14.695 14.124 1.00 25.31 C ATOM 1482 CD PRO A 186 6.252 14.151 15.432 1.00 19.86 C ATOM 1483 N ASP A 186A 6.812 18.768 16.413 1.00 16.88 N ATOM 1484 CA ASP A 186A 6.193 20.046 16.803 1.00 18.33 C ATOM 1485 C ASP A 186A 5.389 19.957 18.110 1.00 21.71 C ATOM 1486 O ASP A 186A 4.477 20.754 18.337 1.00 23.99 O ATOM 1487 CB ASP A 186A 5.342 20.626 15.640 1.00 20.86 C ATOM 1488 CG ASP A 186A 6.138 20.870 14.377 1.00 27.21 C ATOM 1489 OD1 ASP A 186A 7.316 21.272 14.485 1.00 27.14 O ATOM 1490 OD2 ASP A 186A 5.578 20.677 13.277 1.00 34.63 O ATOM 1491 H ASP A 186A 7.848 18.741 16.323 1.00 0.00 H ATOM 1492 N SER A 186B 5.742 18.999 18.983 1.00 16.28 N ATOM 1493 CA SER A 186B 5.050 18.813 20.239 1.00 16.16 C ATOM 1494 C SER A 186B 6.014 18.876 21.407 1.00 16.84 C ATOM 1495 O SER A 186B 7.167 18.490 21.277 1.00 17.17 O ATOM 1496 CB SER A 186B 4.378 17.452 20.244 1.00 17.47 C ATOM 1497 OG SER A 186B 3.785 17.181 21.503 1.00 16.37 O ATOM 1498 HG SER A 186B 3.104 17.872 21.701 1.00 0.00 H ATOM 1499 H SER A 186B 6.538 18.372 18.748 1.00 0.00 H ATOM 1500 N LYS A 187 5.518 19.323 22.546 1.00 14.62 N ATOM 1501 CA LYS A 187 6.275 19.400 23.790 1.00 13.95 C ATOM 1502 C LYS A 187 6.385 18.057 24.512 1.00 13.44 C ATOM 1503 O LYS A 187 7.181 17.945 25.462 1.00 13.63 O ATOM 1504 CB LYS A 187 5.596 20.383 24.745 1.00 16.80 C ATOM 1505 CG LYS A 187 5.462 21.788 24.176 1.00 21.70 C ATOM 1506 CD LYS A 187 4.875 22.785 25.170 1.00 33.32 C ATOM 1507 CE LYS A 187 4.989 24.190 24.625 1.00 47.66 C ATOM 1508 NZ LYS A 187 4.466 25.204 25.579 1.00 58.82 N ATOM 1509 HZ1 LYS A 187 3.462 25.011 25.772 1.00 0.00 H ATOM 1510 HZ2 LYS A 187 5.007 25.155 26.466 1.00 0.00 H ATOM 1511 HZ3 LYS A 187 4.564 26.152 25.164 1.00 0.00 H ATOM 1512 H LYS A 187 4.527 19.639 22.557 1.00 0.00 H ATOM 1513 N LYS A 188 5.559 17.058 24.147 1.00 12.30 N ATOM 1514 CA LYS A 188 5.455 15.780 24.854 1.00 11.19 C ATOM 1515 C LYS A 188 6.808 15.155 25.106 1.00 11.85 C ATOM 1516 O LYS A 188 7.599 14.960 24.178 1.00 11.52 O ATOM 1517 CB LYS A 188 4.559 14.845 24.050 1.00 13.13 C ATOM 1518 CG LYS A 188 3.100 15.289 24.098 1.00 12.65 C ATOM 1519 CD LYS A 188 2.233 14.478 23.132 1.00 15.21 C ATOM 1520 CE LYS A 188 0.783 14.893 23.166 1.00 17.27 C ATOM 1521 NZ LYS A 188 0.152 14.629 24.465 1.00 19.27 N ATOM 1522 HZ1 LYS A 188 0.199 13.611 24.671 1.00 0.00 H ATOM 1523 HZ2 LYS A 188 0.654 15.158 25.207 1.00 0.00 H ATOM 1524 HZ3 LYS A 188 -0.842 14.932 24.434 1.00 0.00 H ATOM 1525 H LYS A 188 4.958 17.203 23.311 1.00 0.00 H ATOM 1526 N ASN A 189 7.087 14.841 26.374 1.00 10.37 N ATOM 1527 CA ASN A 189 8.409 14.330 26.720 1.00 10.01 C ATOM 1528 C ASN A 189 8.424 13.877 28.177 1.00 10.56 C ATOM 1529 O ASN A 189 7.438 14.018 28.899 1.00 10.41 O ATOM 1530 CB ASN A 189 9.447 15.458 26.526 1.00 10.60 C ATOM 1531 CG ASN A 189 10.808 14.987 26.095 1.00 11.17 C ATOM 1532 OD1 ASN A 189 11.229 13.853 26.355 1.00 11.09 O ATOM 1533 ND2 ASN A 189 11.553 15.902 25.483 1.00 13.36 N ATOM 1534 HD22 ASN A 189 11.160 16.844 25.283 1.00 0.00 H ATOM 1535 HD21 ASN A 189 12.529 15.676 25.204 1.00 0.00 H ATOM 1536 H ASN A 189 6.364 14.960 27.112 1.00 0.00 H ATOM 1537 N ALA A 190 9.572 13.355 28.618 1.00 10.32 N ATOM 1538 CA ALA A 190 9.849 13.041 30.013 1.00 9.52 C ATOM 1539 C ALA A 190 10.595 14.242 30.632 1.00 10.59 C ATOM 1540 O ALA A 190 10.974 15.194 29.905 1.00 12.19 O ATOM 1541 CB ALA A 190 10.688 11.775 30.117 1.00 10.89 C ATOM 1542 H ALA A 190 10.317 13.160 27.919 1.00 0.00 H ATOM 1543 N CYS A 191 10.772 14.237 31.956 1.00 9.91 N ATOM 1544 CA CYS A 191 11.482 15.337 32.636 1.00 10.23 C ATOM 1545 C CYS A 191 12.062 14.810 33.965 1.00 10.92 C ATOM 1546 O CYS A 191 12.047 13.598 34.188 1.00 10.46 O ATOM 1547 CB CYS A 191 10.559 16.558 32.817 1.00 10.71 C ATOM 1548 SG CYS A 191 11.385 18.134 33.255 1.00 12.63 S ATOM 1549 H CYS A 191 10.403 13.443 32.518 1.00 0.00 H ATOM 1550 N ASN A 192 12.529 15.704 34.861 1.00 10.48 N ATOM 1551 CA ASN A 192 13.091 15.354 36.167 1.00 10.10 C ATOM 1552 C ASN A 192 12.221 14.479 36.995 1.00 10.62 C ATOM 1553 O ASN A 192 11.078 14.818 37.322 1.00 9.19 O ATOM 1554 CB ASN A 192 13.480 16.581 36.974 1.00 11.40 C ATOM 1555 CG ASN A 192 14.647 17.302 36.363 1.00 14.69 C ATOM 1556 OD1 ASN A 192 14.471 18.196 35.535 1.00 17.57 O ATOM 1557 ND2 ASN A 192 15.863 16.833 36.645 1.00 12.71 N ATOM 1558 HD22 ASN A 192 15.978 16.077 37.350 1.00 0.00 H ATOM 1559 HD21 ASN A 192 16.696 17.223 36.160 1.00 0.00 H ATOM 1560 H ASN A 192 12.487 16.711 34.606 1.00 0.00 H ATOM 1561 N GLY A 193 12.788 13.378 37.399 1.00 9.12 N ATOM 1562 CA GLY A 193 12.016 12.436 38.192 1.00 9.58 C ATOM 1563 C GLY A 193 11.544 11.247 37.382 1.00 8.62 C ATOM 1564 O GLY A 193 11.122 10.236 37.957 1.00 9.72 O ATOM 1565 H GLY A 193 13.779 13.176 37.157 1.00 0.00 H ATOM 1566 N ASP A 194 11.604 11.346 36.048 1.00 8.38 N ATOM 1567 CA ASP A 194 11.157 10.262 35.167 1.00 8.11 C ATOM 1568 C ASP A 194 12.262 9.283 34.819 1.00 8.85 C ATOM 1569 O ASP A 194 11.933 8.200 34.302 1.00 8.50 O ATOM 1570 CB ASP A 194 10.527 10.819 33.890 1.00 8.58 C ATOM 1571 CG ASP A 194 9.220 11.542 34.116 1.00 8.39 C ATOM 1572 OD1 ASP A 194 8.412 11.075 34.957 1.00 9.37 O ATOM 1573 OD2 ASP A 194 8.984 12.559 33.430 1.00 8.96 O ATOM 1574 H ASP A 194 11.979 12.218 35.624 1.00 0.00 H ATOM 1575 N SER A 195 13.539 9.623 35.061 1.00 7.87 N ATOM 1576 CA SER A 195 14.646 8.712 34.729 1.00 7.81 C ATOM 1577 C SER A 195 14.402 7.324 35.240 1.00 8.08 C ATOM 1578 O SER A 195 13.931 7.148 36.370 1.00 8.31 O ATOM 1579 CB SER A 195 15.942 9.226 35.325 1.00 8.88 C ATOM 1580 OG SER A 195 16.940 8.220 35.262 1.00 10.65 O ATOM 1581 HG SER A 195 17.094 7.968 34.317 1.00 0.00 H ATOM 1582 H SER A 195 13.749 10.547 35.491 1.00 0.00 H ATOM 1583 N GLY A 196 14.741 6.347 34.420 1.00 8.16 N ATOM 1584 CA GLY A 196 14.609 4.957 34.812 1.00 9.09 C ATOM 1585 C GLY A 196 13.265 4.326 34.556 1.00 9.52 C ATOM 1586 O GLY A 196 13.132 3.093 34.629 1.00 10.26 O ATOM 1587 H GLY A 196 15.110 6.578 33.475 1.00 0.00 H ATOM 1588 N GLY A 197 12.269 5.154 34.273 1.00 9.36 N ATOM 1589 CA GLY A 197 10.928 4.667 33.996 1.00 10.32 C ATOM 1590 C GLY A 197 10.768 4.155 32.571 1.00 9.32 C ATOM 1591 O GLY A 197 11.604 4.370 31.686 1.00 9.69 O ATOM 1592 H GLY A 197 12.452 6.178 34.249 1.00 0.00 H ATOM 1593 N PRO A 198 9.650 3.487 32.331 1.00 8.77 N ATOM 1594 CA PRO A 198 9.475 2.715 31.102 1.00 9.17 C ATOM 1595 C PRO A 198 8.935 3.444 29.894 1.00 9.41 C ATOM 1596 O PRO A 198 8.035 4.282 30.014 1.00 10.51 O ATOM 1597 CB PRO A 198 8.461 1.653 31.536 1.00 10.31 C ATOM 1598 CG PRO A 198 7.646 2.316 32.586 1.00 10.88 C ATOM 1599 CD PRO A 198 8.584 3.208 33.319 1.00 9.10 C ATOM 1600 N LEU A 199 9.473 3.078 28.738 1.00 9.15 N ATOM 1601 CA LEU A 199 8.964 3.419 27.423 1.00 9.29 C ATOM 1602 C LEU A 199 8.502 2.049 26.882 1.00 10.48 C ATOM 1603 O LEU A 199 9.326 1.143 26.681 1.00 10.59 O ATOM 1604 CB LEU A 199 10.054 4.027 26.559 1.00 9.70 C ATOM 1605 CG LEU A 199 9.649 4.323 25.107 1.00 10.59 C ATOM 1606 CD1 LEU A 199 8.703 5.502 24.989 1.00 13.88 C ATOM 1607 CD2 LEU A 199 10.909 4.647 24.287 1.00 14.70 C ATOM 1608 H LEU A 199 10.334 2.496 28.778 1.00 0.00 H ATOM 1609 N VAL A 200 7.194 1.884 26.708 1.00 10.30 N ATOM 1610 CA VAL A 200 6.655 0.612 26.260 1.00 10.77 C ATOM 1611 C VAL A 200 6.057 0.767 24.892 1.00 12.07 C ATOM 1612 O VAL A 200 5.463 1.793 24.578 1.00 11.52 O ATOM 1613 CB VAL A 200 5.664 -0.005 27.276 1.00 13.61 C ATOM 1614 CG1 VAL A 200 6.361 -0.343 28.594 1.00 13.45 C ATOM 1615 CG2 VAL A 200 4.459 0.897 27.506 1.00 14.21 C ATOM 1616 H VAL A 200 6.548 2.677 26.895 1.00 0.00 H ATOM 1617 N CYS A 201 6.219 -0.257 24.063 1.00 8.33 N ATOM 1618 CA CYS A 201 5.687 -0.279 22.689 1.00 14.00 C ATOM 1619 C CYS A 201 5.134 -1.643 22.457 1.00 19.84 C ATOM 1620 O CYS A 201 5.827 -2.637 22.690 1.00 18.46 O ATOM 1621 CB CYS A 201 6.753 0.028 21.633 1.00 16.42 C ATOM 1622 SG CYS A 201 7.982 1.267 22.094 1.00 17.32 S ATOM 1623 H CYS A 201 6.748 -1.086 24.400 1.00 0.00 H ATOM 1624 N ARG A 202 3.930 -1.714 21.908 1.00 19.25 N ATOM 1625 CA ARG A 202 3.320 -3.000 21.532 1.00 21.44 C ATOM 1626 C ARG A 202 3.407 -4.060 22.653 1.00 25.69 C ATOM 1627 O ARG A 202 3.714 -5.223 22.391 1.00 26.04 O ATOM 1628 CB ARG A 202 3.940 -3.536 20.215 1.00 24.62 C ATOM 1629 CG ARG A 202 3.523 -2.774 18.959 1.00 39.84 C ATOM 1630 CD ARG A 202 3.847 -3.546 17.689 1.00 57.08 C ATOM 1631 NE ARG A 202 2.900 -4.638 17.440 1.00 70.63 N ATOM 1632 CZ ARG A 202 3.173 -5.929 17.612 1.00 86.12 C ATOM 1633 NH1 ARG A 202 4.375 -6.312 18.027 1.00 74.34 N ATOM 1634 NH2 ARG A 202 2.249 -6.847 17.363 1.00 73.29 N ATOM 1635 HE ARG A 202 1.948 -4.386 17.105 1.00 0.00 H ATOM 1636 HH12 ARG A 202 4.582 -7.323 18.159 1.00 0.00 H ATOM 1637 HH11 ARG A 202 5.109 -5.601 18.220 1.00 0.00 H ATOM 1638 HH22 ARG A 202 2.467 -7.855 17.499 1.00 0.00 H ATOM 1639 HH21 ARG A 202 1.306 -6.559 17.032 1.00 0.00 H ATOM 1640 H ARG A 202 3.400 -0.835 21.738 1.00 0.00 H ATOM 1641 N GLY A 207 3.192 -3.624 23.893 1.00 21.66 N ATOM 1642 CA GLY A 207 3.196 -4.495 25.066 1.00 21.96 C ATOM 1643 C GLY A 207 4.531 -4.910 25.658 1.00 22.93 C ATOM 1644 O GLY A 207 4.560 -5.738 26.575 1.00 24.85 O ATOM 1645 H GLY A 207 3.012 -2.609 24.034 1.00 0.00 H ATOM 1646 N THR A 208 5.654 -4.378 25.142 1.00 17.14 N ATOM 1647 CA THR A 208 6.944 -4.755 25.692 1.00 14.57 C ATOM 1648 C THR A 208 7.705 -3.531 26.092 1.00 13.33 C ATOM 1649 O THR A 208 7.575 -2.450 25.482 1.00 13.49 O ATOM 1650 CB THR A 208 7.825 -5.649 24.748 1.00 17.10 C ATOM 1651 OG1 THR A 208 8.318 -4.911 23.610 1.00 19.43 O ATOM 1652 CG2 THR A 208 7.125 -6.931 24.314 1.00 19.98 C ATOM 1653 HG1 THR A 208 7.553 -4.566 23.085 1.00 0.00 H ATOM 1654 H THR A 208 5.598 -3.701 24.354 1.00 0.00 H ATOM 1655 N LEU A 209 8.604 -3.730 27.037 1.00 11.71 N ATOM 1656 CA LEU A 209 9.497 -2.681 27.457 1.00 10.94 C ATOM 1657 C LEU A 209 10.565 -2.444 26.366 1.00 12.16 C ATOM 1658 O LEU A 209 11.300 -3.373 26.011 1.00 15.21 O ATOM 1659 CB LEU A 209 10.164 -3.048 28.777 1.00 10.48 C ATOM 1660 CG LEU A 209 11.115 -2.001 29.349 1.00 11.53 C ATOM 1661 CD1 LEU A 209 10.373 -0.752 29.776 1.00 12.70 C ATOM 1662 CD2 LEU A 209 11.919 -2.589 30.503 1.00 13.42 C ATOM 1663 H LEU A 209 8.669 -4.665 27.488 1.00 0.00 H ATOM 1664 N GLN A 210 10.644 -1.228 25.820 1.00 9.88 N ATOM 1665 CA GLN A 210 11.633 -0.923 24.793 1.00 10.08 C ATOM 1666 C GLN A 210 12.655 0.090 25.268 1.00 10.53 C ATOM 1667 O GLN A 210 13.755 0.124 24.704 1.00 11.08 O ATOM 1668 CB GLN A 210 10.957 -0.442 23.500 1.00 11.64 C ATOM 1669 CG GLN A 210 10.173 -1.540 22.773 1.00 11.57 C ATOM 1670 CD GLN A 210 11.078 -2.544 22.109 1.00 12.49 C ATOM 1671 OE1 GLN A 210 12.091 -2.186 21.497 1.00 12.69 O ATOM 1672 NE2 GLN A 210 10.681 -3.823 22.123 1.00 14.37 N ATOM 1673 HE22 GLN A 210 9.825 -4.096 22.646 1.00 0.00 H ATOM 1674 HE21 GLN A 210 11.229 -4.543 21.611 1.00 0.00 H ATOM 1675 H GLN A 210 9.988 -0.484 26.133 1.00 0.00 H ATOM 1676 N GLY A 211 12.322 0.947 26.226 1.00 9.72 N ATOM 1677 CA GLY A 211 13.287 1.937 26.661 1.00 9.60 C ATOM 1678 C GLY A 211 13.155 2.216 28.122 1.00 9.86 C ATOM 1679 O GLY A 211 12.123 1.952 28.750 1.00 9.53 O ATOM 1680 H GLY A 211 11.378 0.908 26.660 1.00 0.00 H ATOM 1681 N LEU A 212 14.207 2.799 28.669 1.00 8.87 N ATOM 1682 CA LEU A 212 14.207 3.408 29.998 1.00 8.84 C ATOM 1683 C LEU A 212 14.571 4.861 29.799 1.00 8.77 C ATOM 1684 O LEU A 212 15.519 5.182 29.076 1.00 9.08 O ATOM 1685 CB LEU A 212 15.259 2.782 30.922 1.00 9.90 C ATOM 1686 CG LEU A 212 15.206 1.291 31.144 1.00 12.34 C ATOM 1687 CD1 LEU A 212 16.486 0.796 31.844 1.00 14.65 C ATOM 1688 CD2 LEU A 212 13.919 0.913 31.867 1.00 13.25 C ATOM 1689 H LEU A 212 15.090 2.826 28.120 1.00 0.00 H ATOM 1690 N VAL A 213 13.833 5.761 30.440 1.00 8.49 N ATOM 1691 CA VAL A 213 14.154 7.182 30.361 1.00 8.52 C ATOM 1692 C VAL A 213 15.598 7.418 30.805 1.00 8.55 C ATOM 1693 O VAL A 213 16.021 6.902 31.861 1.00 8.73 O ATOM 1694 CB VAL A 213 13.210 8.027 31.242 1.00 8.89 C ATOM 1695 CG1 VAL A 213 13.653 9.493 31.283 1.00 9.05 C ATOM 1696 CG2 VAL A 213 11.762 7.892 30.776 1.00 9.56 C ATOM 1697 H VAL A 213 13.017 5.449 31.004 1.00 0.00 H ATOM 1698 N SER A 214 16.358 8.185 30.029 1.00 8.74 N ATOM 1699 CA SER A 214 17.733 8.522 30.386 1.00 8.75 C ATOM 1700 C SER A 214 17.950 10.010 30.593 1.00 9.61 C ATOM 1701 O SER A 214 18.232 10.421 31.727 1.00 9.91 O ATOM 1702 CB SER A 214 18.714 7.935 29.370 1.00 9.43 C ATOM 1703 OG SER A 214 20.048 8.242 29.752 1.00 11.17 O ATOM 1704 HG SER A 214 20.676 7.859 29.090 1.00 0.00 H ATOM 1705 H SER A 214 15.961 8.556 29.142 1.00 0.00 H ATOM 1706 N TRP A 215 17.841 10.838 29.555 1.00 8.82 N ATOM 1707 CA TRP A 215 18.168 12.234 29.737 1.00 9.71 C ATOM 1708 C TRP A 215 17.592 13.048 28.600 1.00 10.51 C ATOM 1709 O TRP A 215 17.125 12.509 27.592 1.00 10.20 O ATOM 1710 CB TRP A 215 19.707 12.400 29.824 1.00 11.40 C ATOM 1711 CG TRP A 215 20.375 12.320 28.514 1.00 13.19 C ATOM 1712 CD1 TRP A 215 20.717 11.197 27.839 1.00 14.33 C ATOM 1713 CD2 TRP A 215 20.809 13.433 27.710 1.00 14.71 C ATOM 1714 NE1 TRP A 215 21.370 11.536 26.656 1.00 14.89 N ATOM 1715 CE2 TRP A 215 21.400 12.904 26.547 1.00 17.79 C ATOM 1716 CE3 TRP A 215 20.758 14.833 27.869 1.00 16.33 C ATOM 1717 CZ2 TRP A 215 21.909 13.726 25.527 1.00 17.27 C ATOM 1718 CZ3 TRP A 215 21.293 15.644 26.877 1.00 18.37 C ATOM 1719 CH2 TRP A 215 21.875 15.087 25.735 1.00 19.23 C ATOM 1720 HE1 TRP A 215 21.769 10.864 25.969 1.00 0.00 H ATOM 1721 H TRP A 215 17.526 10.486 28.629 1.00 0.00 H ATOM 1722 N GLY A 216 17.675 14.362 28.742 1.00 10.42 N ATOM 1723 CA GLY A 216 17.295 15.305 27.700 1.00 10.28 C ATOM 1724 C GLY A 216 17.605 16.715 28.136 1.00 11.57 C ATOM 1725 O GLY A 216 18.217 16.961 29.194 1.00 12.01 O ATOM 1726 H GLY A 216 18.030 14.740 29.644 1.00 0.00 H ATOM 1727 N THR A 217 17.174 17.658 27.316 1.00 11.53 N ATOM 1728 CA THR A 217 17.439 19.068 27.535 1.00 11.55 C ATOM 1729 C THR A 217 16.709 19.626 28.728 1.00 11.23 C ATOM 1730 O THR A 217 15.577 19.242 29.003 1.00 11.24 O ATOM 1731 CB THR A 217 17.037 19.850 26.278 1.00 14.44 C ATOM 1732 OG1 THR A 217 17.658 19.238 25.150 1.00 14.19 O ATOM 1733 CG2 THR A 217 17.413 21.322 26.351 1.00 16.30 C ATOM 1734 HG1 THR A 217 18.641 19.260 25.264 1.00 0.00 H ATOM 1735 H THR A 217 16.623 17.378 26.480 1.00 0.00 H ATOM 1736 N PHE A 218 17.353 20.581 29.409 1.00 11.48 N ATOM 1737 CA PHE A 218 16.730 21.329 30.475 1.00 10.95 C ATOM 1738 C PHE A 218 16.812 22.830 30.122 1.00 11.49 C ATOM 1739 O PHE A 218 17.904 23.294 29.794 1.00 11.79 O ATOM 1740 CB PHE A 218 17.433 21.069 31.813 1.00 11.66 C ATOM 1741 CG PHE A 218 16.684 21.704 32.954 1.00 12.04 C ATOM 1742 CD1 PHE A 218 16.900 23.030 33.305 1.00 13.17 C ATOM 1743 CD2 PHE A 218 15.716 20.994 33.644 1.00 15.39 C ATOM 1744 CE1 PHE A 218 16.187 23.617 34.349 1.00 14.62 C ATOM 1745 CE2 PHE A 218 14.997 21.589 34.682 1.00 18.58 C ATOM 1746 CZ PHE A 218 15.242 22.889 35.034 1.00 16.70 C ATOM 1747 H PHE A 218 18.341 20.793 29.161 1.00 0.00 H ATOM 1748 N PRO A 219 15.725 23.607 30.216 1.00 10.63 N ATOM 1749 CA PRO A 219 14.384 23.172 30.660 1.00 10.89 C ATOM 1750 C PRO A 219 13.711 22.180 29.735 1.00 10.98 C ATOM 1751 O PRO A 219 13.945 22.163 28.518 1.00 10.91 O ATOM 1752 CB PRO A 219 13.584 24.482 30.731 1.00 13.21 C ATOM 1753 CG PRO A 219 14.645 25.555 30.925 1.00 16.22 C ATOM 1754 CD PRO A 219 15.790 25.064 30.048 1.00 13.68 C ATOM 1755 N CYS A 220 12.853 21.371 30.325 1.00 11.00 N ATOM 1756 CA CYS A 220 12.057 20.367 29.617 1.00 11.59 C ATOM 1757 C CYS A 220 10.995 20.978 28.764 1.00 12.72 C ATOM 1758 O CYS A 220 10.622 22.135 28.940 1.00 13.87 O ATOM 1759 CB CYS A 220 11.409 19.455 30.637 1.00 11.74 C ATOM 1760 SG CYS A 220 12.594 18.604 31.682 1.00 12.56 S ATOM 1761 H CYS A 220 12.735 21.451 31.355 1.00 0.00 H ATOM 1762 N GLY A 220A 10.391 20.116 27.923 1.00 13.50 N ATOM 1763 CA GLY A 220A 9.188 20.457 27.185 1.00 14.30 C ATOM 1764 C GLY A 220A 9.318 21.372 25.992 1.00 17.57 C ATOM 1765 O GLY A 220A 8.308 21.926 25.560 1.00 19.65 O ATOM 1766 H GLY A 220A 10.803 19.169 27.798 1.00 0.00 H ATOM 1767 N GLN A 221 10.511 21.540 25.422 1.00 15.96 N ATOM 1768 CA GLN A 221 10.605 22.366 24.214 1.00 16.72 C ATOM 1769 C GLN A 221 10.153 21.497 23.007 1.00 16.43 C ATOM 1770 O GLN A 221 10.491 20.323 22.991 1.00 15.27 O ATOM 1771 CB GLN A 221 12.068 22.858 24.009 1.00 18.68 C ATOM 1772 CG GLN A 221 12.682 23.689 25.190 1.00 33.18 C ATOM 1773 CD GLN A 221 14.217 23.745 25.262 1.00 48.05 C ATOM 1774 OE1 GLN A 221 14.923 23.503 24.268 1.00 45.52 O ATOM 1775 NE2 GLN A 221 14.788 24.095 26.449 1.00 27.57 N ATOM 1776 HE22 GLN A 221 14.189 24.296 27.275 1.00 0.00 H ATOM 1777 HE21 GLN A 221 15.823 24.161 26.529 1.00 0.00 H ATOM 1778 H GLN A 221 11.359 21.094 25.826 1.00 0.00 H ATOM 1779 N PRO A 222 9.426 22.013 21.986 1.00 16.18 N ATOM 1780 CA PRO A 222 9.081 21.150 20.843 1.00 15.52 C ATOM 1781 C PRO A 222 10.325 20.771 20.061 1.00 15.78 C ATOM 1782 O PRO A 222 11.314 21.507 20.070 1.00 16.15 O ATOM 1783 CB PRO A 222 8.147 22.027 19.998 1.00 18.25 C ATOM 1784 CG PRO A 222 8.509 23.422 20.366 1.00 22.99 C ATOM 1785 CD PRO A 222 8.881 23.375 21.821 1.00 18.69 C ATOM 1786 N ASN A 223 10.280 19.608 19.377 1.00 14.72 N ATOM 1787 CA ASN A 223 11.373 19.121 18.540 1.00 15.76 C ATOM 1788 C ASN A 223 12.685 19.017 19.319 1.00 16.25 C ATOM 1789 O ASN A 223 13.753 19.355 18.828 1.00 17.02 O ATOM 1790 CB ASN A 223 11.501 20.001 17.274 1.00 17.13 C ATOM 1791 CG ASN A 223 10.225 20.019 16.474 1.00 17.60 C ATOM 1792 OD1 ASN A 223 9.615 18.976 16.230 1.00 18.11 O ATOM 1793 ND2 ASN A 223 9.761 21.208 16.103 1.00 20.83 N ATOM 1794 HD22 ASN A 223 10.301 22.069 16.325 1.00 0.00 H ATOM 1795 HD21 ASN A 223 8.858 21.277 15.591 1.00 0.00 H ATOM 1796 H ASN A 223 9.420 19.027 19.450 1.00 0.00 H ATOM 1797 N ASP A 224 12.589 18.512 20.565 1.00 13.65 N ATOM 1798 CA ASP A 224 13.749 18.379 21.452 1.00 13.00 C ATOM 1799 C ASP A 224 13.569 17.054 22.173 1.00 13.04 C ATOM 1800 O ASP A 224 13.305 17.018 23.382 1.00 12.60 O ATOM 1801 CB ASP A 224 13.722 19.564 22.420 1.00 14.65 C ATOM 1802 CG ASP A 224 14.948 19.730 23.254 1.00 15.06 C ATOM 1803 OD1 ASP A 224 15.946 19.013 23.005 1.00 15.31 O ATOM 1804 OD2 ASP A 224 14.943 20.612 24.130 1.00 15.86 O ATOM 1805 H ASP A 224 11.657 18.205 20.910 1.00 0.00 H ATOM 1806 N PRO A 225 13.646 15.930 21.443 1.00 11.77 N ATOM 1807 CA PRO A 225 13.236 14.644 22.014 1.00 11.69 C ATOM 1808 C PRO A 225 14.124 14.125 23.108 1.00 11.67 C ATOM 1809 O PRO A 225 15.332 14.341 23.120 1.00 12.58 O ATOM 1810 CB PRO A 225 13.241 13.701 20.806 1.00 13.71 C ATOM 1811 CG PRO A 225 14.217 14.316 19.862 1.00 17.01 C ATOM 1812 CD PRO A 225 13.979 15.794 20.011 1.00 14.31 C ATOM 1813 N GLY A 226 13.495 13.454 24.061 1.00 11.19 N ATOM 1814 CA GLY A 226 14.214 12.790 25.143 1.00 10.97 C ATOM 1815 C GLY A 226 14.928 11.540 24.673 1.00 9.72 C ATOM 1816 O GLY A 226 14.567 10.939 23.648 1.00 10.85 O ATOM 1817 H GLY A 226 12.457 13.399 24.037 1.00 0.00 H ATOM 1818 N VAL A 227 15.935 11.159 25.422 1.00 9.73 N ATOM 1819 CA VAL A 227 16.809 10.035 25.138 1.00 9.67 C ATOM 1820 C VAL A 227 16.529 8.919 26.123 1.00 9.86 C ATOM 1821 O VAL A 227 16.354 9.159 27.326 1.00 9.44 O ATOM 1822 CB VAL A 227 18.300 10.435 25.171 1.00 11.48 C ATOM 1823 CG1 VAL A 227 19.170 9.317 24.615 1.00 13.55 C ATOM 1824 CG2 VAL A 227 18.530 11.727 24.397 1.00 12.61 C ATOM 1825 H VAL A 227 16.122 11.705 26.287 1.00 0.00 H ATOM 1826 N TYR A 228 16.559 7.706 25.606 1.00 9.49 N ATOM 1827 CA TYR A 228 16.246 6.481 26.308 1.00 9.03 C ATOM 1828 C TYR A 228 17.309 5.440 26.098 1.00 10.01 C ATOM 1829 O TYR A 228 17.929 5.359 25.022 1.00 10.49 O ATOM 1830 CB TYR A 228 14.927 5.879 25.801 1.00 9.62 C ATOM 1831 CG TYR A 228 13.733 6.781 25.995 1.00 8.73 C ATOM 1832 CD1 TYR A 228 13.529 7.893 25.178 1.00 9.92 C ATOM 1833 CD2 TYR A 228 12.811 6.535 27.000 1.00 8.88 C ATOM 1834 CE1 TYR A 228 12.479 8.769 25.399 1.00 9.55 C ATOM 1835 CE2 TYR A 228 11.727 7.372 27.197 1.00 9.21 C ATOM 1836 CZ TYR A 228 11.572 8.493 26.404 1.00 10.17 C ATOM 1837 OH TYR A 228 10.474 9.280 26.644 1.00 11.83 O ATOM 1838 HH TYR A 228 10.475 10.046 26.016 1.00 0.00 H ATOM 1839 H TYR A 228 16.832 7.623 24.606 1.00 0.00 H ATOM 1840 N THR A 229 17.514 4.587 27.095 1.00 9.29 N ATOM 1841 CA THR A 229 18.340 3.401 26.953 1.00 9.47 C ATOM 1842 C THR A 229 17.493 2.364 26.203 1.00 10.74 C ATOM 1843 O THR A 229 16.362 2.061 26.616 1.00 11.18 O ATOM 1844 CB THR A 229 18.762 2.880 28.309 1.00 11.28 C ATOM 1845 OG1 THR A 229 19.485 3.892 28.976 1.00 12.98 O ATOM 1846 CG2 THR A 229 19.647 1.671 28.227 1.00 13.72 C ATOM 1847 HG1 THR A 229 20.284 4.131 28.443 1.00 0.00 H ATOM 1848 H THR A 229 17.065 4.776 28.014 1.00 0.00 H ATOM 1849 N GLN A 230 18.065 1.754 25.150 1.00 10.04 N ATOM 1850 CA GLN A 230 17.355 0.784 24.307 1.00 10.73 C ATOM 1851 C GLN A 230 17.474 -0.601 24.924 1.00 11.04 C ATOM 1852 O GLN A 230 18.483 -1.284 24.755 1.00 11.38 O ATOM 1853 CB GLN A 230 17.906 0.845 22.882 1.00 12.02 C ATOM 1854 CG GLN A 230 17.079 0.003 21.921 1.00 12.80 C ATOM 1855 CD GLN A 230 17.588 0.049 20.498 1.00 13.89 C ATOM 1856 OE1 GLN A 230 16.819 -0.227 19.536 1.00 17.52 O ATOM 1857 NE2 GLN A 230 18.859 0.304 20.313 1.00 12.19 N ATOM 1858 HE22 GLN A 230 19.468 0.528 21.126 1.00 0.00 H ATOM 1859 HE21 GLN A 230 19.259 0.282 19.353 1.00 0.00 H ATOM 1860 H GLN A 230 19.054 1.979 24.923 1.00 0.00 H ATOM 1861 N VAL A 231 16.433 -1.029 25.637 1.00 10.69 N ATOM 1862 CA VAL A 231 16.421 -2.234 26.470 1.00 10.49 C ATOM 1863 C VAL A 231 16.731 -3.517 25.705 1.00 12.11 C ATOM 1864 O VAL A 231 17.432 -4.397 26.246 1.00 12.37 O ATOM 1865 CB VAL A 231 15.091 -2.331 27.266 1.00 11.53 C ATOM 1866 CG1 VAL A 231 14.999 -3.622 28.069 1.00 12.57 C ATOM 1867 CG2 VAL A 231 14.977 -1.149 28.216 1.00 11.73 C ATOM 1868 H VAL A 231 15.561 -0.464 25.599 1.00 0.00 H ATOM 1869 N CYS A 232 16.266 -3.624 24.452 1.00 12.04 N ATOM 1870 CA CYS A 232 16.483 -4.832 23.644 1.00 12.60 C ATOM 1871 C CYS A 232 17.956 -5.142 23.402 1.00 14.18 C ATOM 1872 O CYS A 232 18.259 -6.247 22.940 1.00 14.92 O ATOM 1873 CB CYS A 232 15.739 -4.745 22.314 1.00 12.64 C ATOM 1874 SG CYS A 232 16.413 -3.486 21.181 1.00 15.18 S ATOM 1875 H CYS A 232 15.737 -2.829 24.040 1.00 0.00 H ATOM 1876 N LYS A 233 18.858 -4.177 23.632 1.00 12.74 N ATOM 1877 CA LYS A 233 20.301 -4.361 23.437 1.00 13.01 C ATOM 1878 C LYS A 233 20.980 -4.886 24.716 1.00 14.82 C ATOM 1879 O LYS A 233 22.191 -5.155 24.674 1.00 15.95 O ATOM 1880 CB LYS A 233 20.966 -3.040 23.010 1.00 14.23 C ATOM 1881 CG LYS A 233 20.375 -2.403 21.759 1.00 14.93 C ATOM 1882 CD LYS A 233 20.489 -3.312 20.530 1.00 16.57 C ATOM 1883 CE LYS A 233 19.933 -2.704 19.255 1.00 18.98 C ATOM 1884 NZ LYS A 233 20.655 -1.486 18.833 1.00 18.42 N ATOM 1885 HZ1 LYS A 233 20.587 -0.767 19.582 1.00 0.00 H ATOM 1886 HZ2 LYS A 233 21.654 -1.718 18.663 1.00 0.00 H ATOM 1887 HZ3 LYS A 233 20.230 -1.118 17.958 1.00 0.00 H ATOM 1888 H LYS A 233 18.518 -3.252 23.965 1.00 0.00 H ATOM 1889 N PHE A 234 20.230 -5.064 25.822 1.00 12.89 N ATOM 1890 CA PHE A 234 20.817 -5.433 27.110 1.00 12.14 C ATOM 1891 C PHE A 234 20.242 -6.693 27.716 1.00 14.64 C ATOM 1892 O PHE A 234 20.393 -6.946 28.914 1.00 14.34 O ATOM 1893 CB PHE A 234 20.670 -4.243 28.077 1.00 12.46 C ATOM 1894 CG PHE A 234 21.453 -3.048 27.635 1.00 12.09 C ATOM 1895 CD1 PHE A 234 22.814 -2.950 27.906 1.00 13.90 C ATOM 1896 CD2 PHE A 234 20.831 -2.001 26.968 1.00 12.22 C ATOM 1897 CE1 PHE A 234 23.542 -1.828 27.492 1.00 14.54 C ATOM 1898 CE2 PHE A 234 21.556 -0.883 26.556 1.00 13.33 C ATOM 1899 CZ PHE A 234 22.903 -0.792 26.831 1.00 13.55 C ATOM 1900 H PHE A 234 19.200 -4.935 25.757 1.00 0.00 H ATOM 1901 N THR A 235 19.636 -7.533 26.869 1.00 17.15 N ATOM 1902 CA THR A 235 19.017 -8.804 27.283 1.00 18.02 C ATOM 1903 C THR A 235 19.941 -9.666 28.120 1.00 18.64 C ATOM 1904 O THR A 235 19.565 -10.091 29.223 1.00 17.62 O ATOM 1905 CB THR A 235 18.532 -9.601 26.046 1.00 21.94 C ATOM 1906 OG1 THR A 235 17.599 -8.807 25.340 1.00 23.68 O ATOM 1907 CG2 THR A 235 17.890 -10.935 26.420 1.00 23.05 C ATOM 1908 HG1 THR A 235 16.832 -8.598 25.930 1.00 0.00 H ATOM 1909 H THR A 235 19.600 -7.274 25.862 1.00 0.00 H ATOM 1910 N LYS A 236 21.124 -9.883 27.595 1.00 16.86 N ATOM 1911 CA LYS A 236 22.109 -10.738 28.221 1.00 16.82 C ATOM 1912 C LYS A 236 22.547 -10.154 29.558 1.00 17.38 C ATOM 1913 O LYS A 236 22.603 -10.896 30.550 1.00 16.30 O ATOM 1914 CB LYS A 236 23.319 -10.943 27.296 1.00 19.52 C ATOM 1915 CG LYS A 236 24.324 -11.923 27.872 1.00 21.59 C ATOM 1916 CD LYS A 236 25.417 -12.258 26.883 1.00 25.63 C ATOM 1917 CE LYS A 236 26.133 -13.527 27.291 1.00 36.45 C ATOM 1918 NZ LYS A 236 27.061 -14.000 26.234 1.00 52.10 N ATOM 1919 HZ1 LYS A 236 26.525 -14.192 25.364 1.00 0.00 H ATOM 1920 HZ2 LYS A 236 27.775 -13.267 26.048 1.00 0.00 H ATOM 1921 HZ3 LYS A 236 27.532 -14.871 26.552 1.00 0.00 H ATOM 1922 H LYS A 236 21.363 -9.422 26.694 1.00 0.00 H ATOM 1923 N TRP A 237 22.893 -8.865 29.573 1.00 14.74 N ATOM 1924 CA TRP A 237 23.352 -8.243 30.805 1.00 14.96 C ATOM 1925 C TRP A 237 22.273 -8.316 31.898 1.00 14.53 C ATOM 1926 O TRP A 237 22.588 -8.621 33.050 1.00 13.83 O ATOM 1927 CB TRP A 237 23.825 -6.800 30.554 1.00 14.65 C ATOM 1928 CG TRP A 237 24.266 -6.123 31.833 1.00 14.76 C ATOM 1929 CD1 TRP A 237 25.473 -6.266 32.447 1.00 17.78 C ATOM 1930 CD2 TRP A 237 23.453 -5.346 32.729 1.00 13.91 C ATOM 1931 NE1 TRP A 237 25.483 -5.574 33.640 1.00 16.91 N ATOM 1932 CE2 TRP A 237 24.256 -5.015 33.844 1.00 16.93 C ATOM 1933 CE3 TRP A 237 22.142 -4.867 32.683 1.00 14.11 C ATOM 1934 CZ2 TRP A 237 23.774 -4.266 34.929 1.00 15.15 C ATOM 1935 CZ3 TRP A 237 21.674 -4.110 33.766 1.00 14.83 C ATOM 1936 CH2 TRP A 237 22.502 -3.808 34.851 1.00 15.47 C ATOM 1937 HE1 TRP A 237 26.297 -5.492 34.282 1.00 0.00 H ATOM 1938 H TRP A 237 22.834 -8.303 28.700 1.00 0.00 H ATOM 1939 N ILE A 238 21.027 -8.024 31.569 1.00 13.15 N ATOM 1940 CA ILE A 238 19.994 -8.069 32.603 1.00 12.85 C ATOM 1941 C ILE A 238 19.859 -9.459 33.209 1.00 15.55 C ATOM 1942 O ILE A 238 19.842 -9.623 34.438 1.00 14.28 O ATOM 1943 CB ILE A 238 18.655 -7.612 31.991 1.00 14.07 C ATOM 1944 CG1 ILE A 238 18.721 -6.129 31.603 1.00 13.46 C ATOM 1945 CG2 ILE A 238 17.473 -7.889 32.947 1.00 16.26 C ATOM 1946 CD1 ILE A 238 17.536 -5.656 30.680 1.00 16.48 C ATOM 1947 H ILE A 238 20.785 -7.766 30.591 1.00 0.00 H ATOM 1948 N ASN A 239 19.719 -10.473 32.347 1.00 14.50 N ATOM 1949 CA ASN A 239 19.550 -11.844 32.826 1.00 16.05 C ATOM 1950 C ASN A 239 20.762 -12.324 33.617 1.00 17.48 C ATOM 1951 O ASN A 239 20.593 -12.845 34.729 1.00 16.96 O ATOM 1952 CB ASN A 239 19.237 -12.780 31.647 1.00 18.20 C ATOM 1953 CG ASN A 239 19.170 -14.252 31.984 1.00 44.34 C ATOM 1954 OD1 ASN A 239 18.164 -14.759 32.490 1.00 40.23 O ATOM 1955 ND2 ASN A 239 20.232 -14.975 31.672 1.00 37.40 N ATOM 1956 HD22 ASN A 239 21.065 -14.519 31.247 1.00 0.00 H ATOM 1957 HD21 ASN A 239 20.235 -15.999 31.852 1.00 0.00 H ATOM 1958 H ASN A 239 19.731 -10.284 31.324 1.00 0.00 H ATOM 1959 N ASP A 240 21.955 -12.080 33.099 1.00 14.37 N ATOM 1960 CA ASP A 240 23.188 -12.560 33.730 1.00 16.26 C ATOM 1961 C ASP A 240 23.474 -11.863 35.043 1.00 17.15 C ATOM 1962 O ASP A 240 23.902 -12.513 35.992 1.00 16.05 O ATOM 1963 CB ASP A 240 24.376 -12.411 32.797 1.00 18.49 C ATOM 1964 CG ASP A 240 24.410 -13.365 31.616 1.00 21.59 C ATOM 1965 OD1 ASP A 240 23.470 -14.193 31.482 1.00 21.89 O ATOM 1966 OD2 ASP A 240 25.335 -13.253 30.809 1.00 26.26 O ATOM 1967 H ASP A 240 22.020 -11.531 32.218 1.00 0.00 H ATOM 1968 N THR A 241 23.226 -10.550 35.135 1.00 14.06 N ATOM 1969 CA THR A 241 23.476 -9.828 36.383 1.00 13.02 C ATOM 1970 C THR A 241 22.562 -10.363 37.472 1.00 13.36 C ATOM 1971 O THR A 241 22.991 -10.518 38.616 1.00 13.71 O ATOM 1972 CB THR A 241 23.324 -8.338 36.151 1.00 14.17 C ATOM 1973 OG1 THR A 241 24.222 -7.943 35.110 1.00 15.66 O ATOM 1974 CG2 THR A 241 23.590 -7.512 37.408 1.00 15.50 C ATOM 1975 HG1 THR A 241 25.151 -8.149 35.382 1.00 0.00 H ATOM 1976 H THR A 241 22.852 -10.038 34.311 1.00 0.00 H ATOM 1977 N MET A 242 21.298 -10.621 37.167 1.00 12.60 N ATOM 1978 CA MET A 242 20.436 -11.175 38.190 1.00 12.37 C ATOM 1979 C MET A 242 20.922 -12.559 38.625 1.00 16.29 C ATOM 1980 O MET A 242 20.924 -12.848 39.826 1.00 16.52 O ATOM 1981 CB MET A 242 18.998 -11.280 37.699 1.00 13.73 C ATOM 1982 CG MET A 242 18.361 -9.925 37.490 1.00 13.15 C ATOM 1983 SD MET A 242 16.594 -9.979 37.111 1.00 14.58 S ATOM 1984 CE MET A 242 16.612 -10.850 35.554 1.00 15.03 C ATOM 1985 H MET A 242 20.933 -10.429 36.212 1.00 0.00 H ATOM 1986 N LYS A 243 21.321 -13.416 37.672 1.00 15.27 N ATOM 1987 CA LYS A 243 21.774 -14.766 37.991 1.00 15.32 C ATOM 1988 C LYS A 243 23.060 -14.753 38.796 1.00 17.09 C ATOM 1989 O LYS A 243 23.277 -15.681 39.596 1.00 17.77 O ATOM 1990 CB LYS A 243 21.976 -15.601 36.714 1.00 17.41 C ATOM 1991 CG LYS A 243 20.686 -15.963 35.990 1.00 26.96 C ATOM 1992 CD LYS A 243 21.007 -16.636 34.660 1.00 35.35 C ATOM 1993 CE LYS A 243 19.857 -17.459 34.135 1.00 36.14 C ATOM 1994 NZ LYS A 243 19.762 -18.772 34.831 1.00 32.29 N ATOM 1995 HZ1 LYS A 243 20.643 -19.305 34.684 1.00 0.00 H ATOM 1996 HZ2 LYS A 243 19.616 -18.614 35.849 1.00 0.00 H ATOM 1997 HZ3 LYS A 243 18.961 -19.311 34.445 1.00 0.00 H ATOM 1998 H LYS A 243 21.307 -13.109 36.678 1.00 0.00 H ATOM 1999 N LYS A 244 23.935 -13.762 38.578 1.00 15.21 N ATOM 2000 CA LYS A 244 25.211 -13.676 39.280 1.00 16.17 C ATOM 2001 C LYS A 244 25.083 -13.106 40.692 1.00 15.97 C ATOM 2002 O LYS A 244 26.046 -13.165 41.476 1.00 16.60 O ATOM 2003 CB LYS A 244 26.219 -12.908 38.425 1.00 19.05 C ATOM 2004 CG LYS A 244 26.670 -13.744 37.214 1.00 22.27 C ATOM 2005 CD LYS A 244 27.513 -12.955 36.228 1.00 30.44 C ATOM 2006 CE LYS A 244 27.744 -13.748 34.965 1.00 36.65 C ATOM 2007 NZ LYS A 244 28.654 -13.038 34.031 1.00 42.44 N ATOM 2008 HZ1 LYS A 244 28.236 -12.122 33.772 1.00 0.00 H ATOM 2009 HZ2 LYS A 244 29.572 -12.883 34.494 1.00 0.00 H ATOM 2010 HZ3 LYS A 244 28.789 -13.614 33.175 1.00 0.00 H ATOM 2011 H LYS A 244 23.696 -13.027 37.882 1.00 0.00 H ATOM 2012 N HIS A 245 23.906 -12.593 41.037 1.00 15.68 N ATOM 2013 CA HIS A 245 23.681 -12.022 42.363 1.00 15.53 C ATOM 2014 C HIS A 245 22.453 -12.664 43.028 1.00 18.27 C ATOM 2015 O HIS A 245 21.573 -11.955 43.556 1.00 19.03 O ATOM 2016 CB HIS A 245 23.554 -10.476 42.274 1.00 15.84 C ATOM 2017 CG HIS A 245 24.793 -9.819 41.750 1.00 18.74 C ATOM 2018 ND1 HIS A 245 25.918 -9.656 42.545 1.00 22.31 N ATOM 2019 CD2 HIS A 245 25.059 -9.337 40.517 1.00 21.42 C ATOM 2020 CE1 HIS A 245 26.829 -9.094 41.764 1.00 22.07 C ATOM 2021 NE2 HIS A 245 26.348 -8.848 40.551 1.00 22.32 N ATOM 2022 H HIS A 245 23.128 -12.598 40.347 1.00 0.00 H ATOM 2023 N ARG A 246 22.389 -14.001 43.019 1.00 19.62 N ATOM 2024 CA ARG A 246 21.275 -14.718 43.635 1.00 26.06 C ATOM 2025 C ARG A 246 21.434 -14.779 45.152 1.00 46.22 C ATOM 2026 O ARG A 246 20.443 -14.498 45.862 1.00 52.06 O ATOM 2027 CB ARG A 246 21.109 -16.114 43.019 1.00 27.75 C ATOM 2028 CG ARG A 246 20.483 -16.062 41.628 1.00 41.99 C ATOM 2029 CD ARG A 246 20.392 -17.427 40.973 1.00 59.06 C ATOM 2030 NE ARG A 246 19.309 -17.478 39.989 1.00 71.67 N ATOM 2031 CZ ARG A 246 18.083 -17.927 40.242 1.00 88.50 C ATOM 2032 NH1 ARG A 246 17.768 -18.377 41.451 1.00 77.45 N ATOM 2033 NH2 ARG A 246 17.163 -17.936 39.286 1.00 77.67 N ATOM 2034 OXT ARG A 246 22.563 -15.029 45.628 1.00 65.48 O ATOM 2035 HE ARG A 246 19.512 -17.140 39.027 1.00 0.00 H ATOM 2036 HH12 ARG A 246 16.807 -18.727 41.642 1.00 0.00 H ATOM 2037 HH11 ARG A 246 18.482 -18.380 42.207 1.00 0.00 H ATOM 2038 HH22 ARG A 246 16.206 -18.288 39.489 1.00 0.00 H ATOM 2039 HH21 ARG A 246 17.399 -17.591 38.334 1.00 0.00 H ATOM 2040 H ARG A 246 23.151 -14.542 42.563 1.00 0.00 H TER 2041 ARG A 246 HETATM 2042 O HOH 1 -4.643 9.808 43.494 1.00 30.76 O HETATM 2043 O HOH 2 20.692 -0.328 53.200 1.00 19.70 O HETATM 2044 O HOH 3 18.201 4.888 31.024 1.00 14.16 O HETATM 2045 O HOH 4 14.892 10.821 9.077 1.00 25.83 O HETATM 2046 O HOH 5 6.263 -1.553 15.695 1.00 29.89 O HETATM 2047 O HOH 6 0.485 -7.068 45.133 1.00 21.50 O HETATM 2048 O HOH 7 2.566 2.577 29.154 1.00 23.37 O HETATM 2049 O HOH 8 16.974 7.870 10.951 1.00 34.57 O HETATM 2050 O HOH 9 3.524 5.897 14.940 1.00 22.95 O HETATM 2051 O HOH 10 21.397 7.097 27.679 1.00 23.21 O HETATM 2052 O HOH 11 22.880 11.566 16.581 1.00 25.44 O HETATM 2053 O HOH 12 -0.656 -0.209 29.950 1.00 33.77 O HETATM 2054 O HOH 13 3.642 -7.446 31.994 1.00 24.75 O HETATM 2055 O HOH 14 19.414 -5.599 48.310 1.00 15.89 O HETATM 2056 O HOH 15 22.846 0.560 46.346 1.00 13.55 O HETATM 2057 O HOH 16 11.275 -9.369 54.981 1.00 22.54 O HETATM 2058 O HOH 17 26.684 -4.998 36.120 1.00 31.17 O HETATM 2059 O HOH 18 14.410 -1.955 23.139 1.00 13.58 O HETATM 2060 O HOH 19 10.351 11.503 25.139 1.00 12.21 O HETATM 2061 O HOH 20 8.525 5.910 51.321 1.00 26.51 O HETATM 2062 O HOH 21 7.327 -4.667 15.116 1.00 35.11 O HETATM 2063 O HOH 22 -3.960 -3.501 37.690 1.00 49.91 O HETATM 2064 O HOH 23 6.470 -12.841 45.899 1.00 34.76 O HETATM 2065 O HOH 24 16.260 -6.855 26.629 1.00 39.46 O HETATM 2066 O HOH 25 9.916 18.217 24.572 1.00 15.58 O HETATM 2067 O HOH 26 13.970 8.276 13.138 1.00 21.07 O HETATM 2068 O HOH 27 19.113 8.934 33.797 1.00 10.82 O HETATM 2069 O HOH 28 -1.810 14.515 46.193 1.00 28.53 O HETATM 2070 O HOH 29 -1.160 7.767 20.484 1.00 28.58 O HETATM 2071 O HOH 30 8.913 -10.737 25.168 1.00 39.99 O HETATM 2072 O HOH 31 24.788 -4.514 25.095 1.00 29.98 O HETATM 2073 O HOH 32 2.436 15.198 44.603 1.00 29.46 O HETATM 2074 O HOH 33 6.949 -5.424 21.294 1.00 28.49 O HETATM 2075 O HOH 34 9.281 16.824 19.415 1.00 16.68 O HETATM 2076 O HOH 35 23.473 2.995 26.083 1.00 18.95 O HETATM 2077 O HOH 36 26.268 -1.324 25.361 1.00 40.53 O HETATM 2078 O HOH 37 21.175 9.209 41.829 1.00 10.16 O HETATM 2079 O HOH 38 4.826 12.973 35.501 1.00 9.52 O HETATM 2080 O HOH 39 21.931 4.417 27.919 1.00 13.11 O HETATM 2081 O HOH 40 1.448 20.839 35.437 1.00 12.35 O HETATM 2082 O HOH 41 10.413 -9.515 33.579 1.00 16.37 O HETATM 2083 O HOH 42 5.477 0.704 54.753 1.00 22.36 O HETATM 2084 O HOH 43 -2.001 -7.027 36.307 1.00 37.59 O HETATM 2085 O HOH 44 -0.936 -2.330 46.167 1.00 18.75 O HETATM 2086 O HOH 45 24.199 -16.223 33.157 1.00 33.02 O HETATM 2087 O HOH 46 2.885 16.272 14.958 1.00 34.27 O HETATM 2088 O HOH 47 13.765 18.196 27.241 1.00 13.69 O HETATM 2089 O HOH 48 -0.409 7.775 27.043 1.00 22.75 O HETATM 2090 O HOH 49 13.966 -10.749 26.768 1.00 39.39 O HETATM 2091 O HOH 50 26.766 -8.951 35.154 1.00 25.73 O HETATM 2092 O HOH 51 7.471 15.580 21.515 1.00 17.23 O HETATM 2093 O HOH 52 10.701 -15.134 39.264 1.00 39.63 O HETATM 2094 O HOH 53 17.752 6.551 49.829 1.00 23.64 O HETATM 2095 O HOH 54 11.867 20.894 35.376 1.00 19.95 O HETATM 2096 O HOH 55 13.169 20.691 26.214 1.00 13.72 O HETATM 2097 O HOH 56 1.297 18.434 38.175 1.00 23.12 O HETATM 2098 O HOH 57 17.788 -9.253 51.942 1.00 28.44 O HETATM 2099 O HOH 58 31.491 3.931 28.439 1.00 28.00 O HETATM 2100 O HOH 59 -0.842 17.837 30.137 1.00 24.06 O HETATM 2101 O HOH 60 2.810 3.899 50.689 1.00 20.78 O HETATM 2102 O HOH 61 20.352 -8.003 23.204 1.00 24.73 O HETATM 2103 O HOH 62 1.068 11.647 21.301 1.00 17.98 O HETATM 2104 O HOH 63 4.061 -1.920 40.850 1.00 12.43 O HETATM 2105 O HOH 64 2.485 1.233 24.693 1.00 39.88 O HETATM 2106 O HOH 65 14.388 16.949 49.960 1.00 44.06 O HETATM 2107 O HOH 66 18.880 2.592 18.753 1.00 18.78 O HETATM 2108 O HOH 67 2.847 8.472 18.337 1.00 34.04 O HETATM 2109 O HOH 68 2.681 19.018 31.447 1.00 13.21 O HETATM 2110 O HOH 69 1.147 17.104 20.682 1.00 37.73 O HETATM 2111 O HOH 70 -0.682 10.406 48.380 1.00 30.60 O HETATM 2112 O HOH 71 15.164 12.312 45.006 1.00 17.94 O HETATM 2113 O HOH 72 5.786 12.860 42.005 1.00 12.43 O HETATM 2114 O HOH 73 -1.519 3.172 35.392 1.00 16.72 O HETATM 2115 O HOH 74 4.952 3.378 30.008 1.00 14.81 O HETATM 2116 O HOH 75 19.880 7.673 51.098 1.00 24.67 O HETATM 2117 O HOH 76 -6.652 7.533 35.081 1.00 32.89 O HETATM 2118 O HOH 77 22.687 9.380 32.501 1.00 18.45 O HETATM 2119 O HOH 78 29.379 1.270 35.845 1.00 29.13 O HETATM 2120 O HOH 79 1.759 -2.454 28.091 1.00 38.77 O HETATM 2121 O HOH 80 2.061 15.467 31.912 1.00 13.84 O HETATM 2122 O HOH 81 -3.024 15.017 43.827 1.00 19.35 O HETATM 2123 O HOH 82 4.100 22.172 31.654 1.00 16.40 O HETATM 2124 O HOH 83 32.686 4.400 32.603 1.00 44.47 O HETATM 2125 O HOH 84 11.874 4.698 53.723 1.00 20.84 O HETATM 2126 O HOH 85 26.818 -0.324 45.436 1.00 25.35 O HETATM 2127 O HOH 86 5.772 -5.960 50.273 1.00 17.50 O HETATM 2128 O HOH 87 25.717 -5.209 27.535 1.00 27.23 O HETATM 2129 O HOH 88 20.418 18.801 25.129 1.00 31.62 O HETATM 2130 O HOH 89 24.112 16.646 23.232 1.00 28.47 O HETATM 2131 O HOH 90 5.663 -10.593 32.752 1.00 41.57 O HETATM 2132 O HOH 91 25.289 1.005 49.421 1.00 32.13 O HETATM 2133 O HOH 92 -1.099 0.429 37.488 1.00 15.58 O HETATM 2134 O HOH 93 -8.578 4.976 35.272 1.00 32.71 O HETATM 2135 O HOH 94 21.480 -10.233 48.815 1.00 35.63 O HETATM 2136 O HOH 95 -4.411 5.204 42.878 1.00 23.98 O HETATM 2137 O HOH 96 16.872 -10.451 29.932 1.00 35.35 O HETATM 2138 O HOH 97 6.857 -15.143 39.247 1.00 27.86 O HETATM 2139 O HOH 98 3.451 1.518 41.270 1.00 12.96 O HETATM 2140 O HOH 99 -3.350 0.224 44.572 1.00 38.33 O HETATM 2141 O HOH 100 -1.094 9.358 51.549 1.00 20.09 O HETATM 2142 O HOH 101 0.099 -4.791 46.356 1.00 21.02 O HETATM 2143 O HOH 102 22.657 10.220 24.527 1.00 22.18 O HETATM 2144 O HOH 103 11.357 17.457 28.274 1.00 13.23 O HETATM 2145 O HOH 104 1.764 3.213 22.972 1.00 21.97 O HETATM 2146 O HOH 105 31.009 -12.855 35.568 1.00 33.79 O HETATM 2147 O HOH 106 10.172 14.320 23.193 1.00 15.94 O HETATM 2148 O HOH 107 7.942 12.287 46.503 1.00 26.39 O HETATM 2149 O HOH 108 5.562 -3.545 51.443 1.00 18.30 O HETATM 2150 O HOH 109 24.294 15.577 28.254 1.00 37.63 O HETATM 2151 O HOH 110 1.592 1.789 38.949 1.00 18.35 O HETATM 2152 O HOH 111 -1.817 9.958 28.312 1.00 28.58 O HETATM 2153 O HOH 112 13.901 -0.412 19.946 1.00 15.34 O HETATM 2154 O HOH 113 -3.709 8.680 29.821 1.00 32.72 O HETATM 2155 O HOH 114 24.563 -15.872 42.120 1.00 17.57 O HETATM 2156 O HOH 115 22.904 -0.041 51.463 1.00 22.61 O HETATM 2157 O HOH 116 9.386 7.185 35.200 1.00 10.21 O HETATM 2158 O HOH 117 -2.923 4.616 30.399 1.00 38.87 O HETATM 2159 O HOH 118 -2.515 7.403 37.059 1.00 16.32 O HETATM 2160 O HOH 119 8.129 -7.337 50.926 1.00 18.19 O HETATM 2161 O HOH 120 -0.015 -0.636 40.027 1.00 22.57 O HETATM 2162 O HOH 121 11.996 11.424 52.992 1.00 30.84 O HETATM 2163 O HOH 122 27.466 -2.749 43.275 1.00 26.80 O HETATM 2164 O HOH 123 10.920 24.820 27.962 1.00 31.34 O HETATM 2165 O HOH 124 2.557 1.721 52.220 1.00 26.26 O HETATM 2166 O HOH 125 -1.693 14.378 26.721 1.00 32.26 O HETATM 2167 O HOH 126 -3.547 2.756 41.447 1.00 21.47 O HETATM 2168 O HOH 127 15.086 16.473 25.588 1.00 13.38 O HETATM 2169 O HOH 128 19.441 4.485 11.600 1.00 32.74 O HETATM 2170 O HOH 129 19.321 12.494 33.420 1.00 15.47 O HETATM 2171 O HOH 130 7.983 22.988 29.767 1.00 33.35 O HETATM 2172 O HOH 131 10.605 -14.193 35.988 1.00 30.48 O HETATM 2173 O HOH 132 4.465 5.075 48.477 1.00 10.47 O HETATM 2174 O HOH 133 2.521 0.931 21.706 1.00 27.11 O HETATM 2175 O HOH 134 8.870 8.388 37.707 1.00 10.09 O HETATM 2176 O HOH 135 3.822 -12.984 45.114 1.00 22.62 O HETATM 2177 O HOH 136 2.706 20.034 22.884 1.00 27.68 O HETATM 2178 O HOH 137 15.116 0.695 16.939 1.00 19.92 O HETATM 2179 O HOH 138 8.775 11.294 16.135 1.00 25.54 O HETATM 2180 O HOH 139 9.722 -10.879 29.985 1.00 22.38 O HETATM 2181 O HOH 140 13.773 10.493 27.895 1.00 16.42 O HETATM 2182 O HOH 141 -0.352 5.538 16.767 1.00 40.96 O HETATM 2183 O HOH 142 15.263 -6.939 16.690 1.00 26.88 O HETATM 2184 O HOH 143 10.417 -11.799 51.220 1.00 24.17 O HETATM 2185 O HOH 144 31.956 5.115 39.264 1.00 20.47 O HETATM 2186 O HOH 145 9.505 -7.948 21.725 1.00 23.46 O HETATM 2187 O HOH 146 17.838 16.372 19.485 1.00 16.24 O HETATM 2188 O HOH 147 23.650 -7.345 27.092 1.00 17.79 O HETATM 2189 O HOH 148 11.100 14.594 44.350 1.00 34.02 O HETATM 2190 O HOH 149 26.213 -14.359 44.233 1.00 30.62 O HETATM 2191 O HOH 150 18.800 15.142 31.528 1.00 16.79 O HETATM 2192 O HOH 151 13.008 -12.820 35.625 1.00 19.95 O HETATM 2193 O HOH 152 25.814 10.047 36.964 1.00 14.25 O HETATM 2194 O HOH 153 11.330 23.714 16.790 1.00 32.83 O HETATM 2195 O HOH 154 8.031 26.672 34.906 1.00 27.96 O HETATM 2196 O HOH 155 14.543 14.112 16.155 1.00 30.45 O HETATM 2197 O HOH 156 29.822 0.287 25.719 1.00 34.54 O HETATM 2198 O HOH 157 26.973 -11.729 44.545 1.00 44.31 O HETATM 2199 O HOH 158 28.185 -6.681 34.584 1.00 34.82 O HETATM 2200 O HOH 159 22.284 -8.659 25.020 1.00 20.74 O HETATM 2201 O HOH 160 15.542 4.953 51.357 1.00 9.64 O HETATM 2202 O HOH 161 10.251 17.029 21.922 1.00 16.23 O HETATM 2203 O HOH 162 22.832 8.108 47.813 1.00 14.39 O HETATM 2204 O HOH 163 19.752 12.515 10.258 1.00 39.54 O HETATM 2205 O HOH 164 25.297 -2.547 46.126 1.00 18.83 O HETATM 2206 O HOH 165 6.075 24.162 32.217 1.00 16.67 O HETATM 2207 O HOH 166 -1.738 13.934 40.194 1.00 20.40 O HETATM 2208 O HOH 167 18.055 0.563 55.847 1.00 30.90 O HETATM 2209 O HOH 168 26.069 -14.197 23.282 1.00 18.59 O HETATM 2210 O HOH 169 17.289 -1.315 16.648 1.00 26.05 O HETATM 2211 O HOH 170 -0.290 11.523 24.519 1.00 17.72 O HETATM 2212 O HOH 171 27.026 -0.056 40.815 1.00 10.00 O HETATM 2213 O HOH 172 22.805 9.254 50.963 1.00 30.35 O HETATM 2214 O HOH 173 27.497 -6.733 38.492 1.00 27.19 O HETATM 2215 O HOH 174 4.519 -1.031 52.839 1.00 26.37 O HETATM 2216 O HOH 175 31.969 8.163 33.650 1.00 30.03 O HETATM 2217 O HOH 176 -0.787 16.017 42.124 1.00 11.11 O HETATM 2218 O HOH 177 24.078 2.296 52.898 1.00 48.47 O HETATM 2219 O HOH 178 8.541 -11.575 32.374 1.00 31.58 O HETATM 2220 O HOH 179 5.811 8.948 48.405 1.00 42.73 O HETATM 2221 O HOH 180 9.529 13.854 16.194 1.00 35.46 O HETATM 2222 O HOH 181 3.034 2.474 15.342 1.00 10.71 O HETATM 2223 O HOH 182 32.524 10.128 31.845 1.00 46.55 O HETATM 2224 O HOH 183 3.468 -11.346 37.308 1.00 7.32 O HETATM 2225 O HOH 184 21.517 12.013 40.032 1.00 21.46 O HETATM 2226 O HOH 185 24.148 -10.029 45.903 1.00 22.81 O HETATM 2227 O HOH 186 11.043 -12.045 27.586 1.00 44.71 O HETATM 2228 O HOH 187 16.489 -13.701 39.418 1.00 25.27 O HETATM 2229 O HOH 188 -2.347 11.843 46.759 1.00 25.54 O HETATM 2230 O HOH 189 25.036 11.343 23.650 1.00 32.06 O HETATM 2231 O HOH 190 20.362 8.956 48.823 1.00 24.41 O HETATM 2232 O HOH 191 17.812 14.087 44.588 1.00 24.34 O HETATM 2233 O HOH 192 -0.868 2.809 28.902 1.00 38.79 O HETATM 2234 O HOH 193 15.427 -8.842 28.284 1.00 43.34 O HETATM 2235 O HOH 194 19.019 -7.166 53.198 1.00 35.79 O HETATM 2236 O HOH 195 12.169 10.577 13.233 1.00 22.63 O HETATM 2237 O HOH 196 -0.356 18.715 34.960 1.00 20.82 O HETATM 2238 O HOH 197 18.388 20.025 16.894 1.00 31.50 O HETATM 2239 O HOH 198 26.394 -8.072 46.399 1.00 33.87 O HETATM 2240 O HOH 199 16.017 13.097 8.158 1.00 52.80 O HETATM 2241 O HOH 200 20.172 -7.940 49.385 1.00 30.77 O HETATM 2242 O HOH 201 6.051 6.872 50.172 1.00 22.01 O HETATM 2243 O HOH 202 20.130 2.359 16.329 1.00 29.43 O HETATM 2244 O HOH 203 25.994 7.615 51.682 1.00 30.30 O HETATM 2245 O HOH 204 0.599 17.694 32.611 1.00 17.36 O HETATM 2246 O HOH 205 26.541 4.086 46.321 1.00 25.26 O HETATM 2247 O HOH 206 29.779 -16.996 26.223 1.00 28.85 O HETATM 2248 O HOH 207 16.741 2.858 16.856 1.00 26.60 O HETATM 2249 O HOH 208 10.859 14.902 18.264 1.00 22.62 O HETATM 2250 O HOH 209 10.404 25.661 25.310 1.00 32.80 O HETATM 2251 O HOH 210 21.329 -6.782 51.566 1.00 37.70 O HETATM 2252 O HOH 211 12.574 -11.411 33.103 1.00 31.91 O HETATM 2253 O HOH 212 20.734 13.151 43.643 1.00 24.42 O HETATM 2254 O HOH 213 1.384 0.253 28.269 1.00 43.39 O HETATM 2255 O HOH 214 26.831 1.593 47.331 1.00 32.99 O HETATM 2256 O HOH 215 0.515 9.665 19.459 1.00 24.92 O HETATM 2257 O HOH 216 0.475 10.747 53.173 1.00 29.71 O HETATM 2258 O HOH 217 -1.789 14.676 37.621 1.00 22.12 O HETATM 2259 O HOH 218 -2.273 5.973 18.837 1.00 37.76 O HETATM 2260 O HOH 219 6.415 13.317 44.588 1.00 21.78 O HETATM 2261 O HOH 220 22.254 18.769 23.063 1.00 30.96 O HETATM 2262 O HOH 221 0.378 13.716 19.608 1.00 26.61 O HETATM 2263 O HOH 222 26.750 -5.044 46.602 1.00 39.11 O HETATM 2264 O HOH 223 0.479 12.766 16.888 1.00 44.03 O HETATM 2265 C2 UNN A 224 14.520 14.051 40.629 1.00 0.04 C HETATM 2266 C24 UNN A 224 15.534 14.693 41.600 1.00 -0.00 C HETATM 2267 C25 UNN A 224 14.917 15.963 42.195 1.00 -0.05 C HETATM 2268 C26 UNN A 224 15.137 17.213 41.607 1.00 -0.07 C HETATM 2269 C29 UNN A 224 14.536 18.366 42.160 1.00 -0.04 C HETATM 2270 C27 UNN A 224 13.711 18.257 43.296 1.00 0.08 C HETATM 2271 C28 UNN A 224 13.487 17.005 43.880 1.00 -0.04 C HETATM 2272 C30 UNN A 224 14.091 15.868 43.317 1.00 -0.07 C HETATM 2273 H17 UNN A 224 13.912 14.896 43.763 1.00 0.05 H HETATM 2274 H15 UNN A 224 12.855 16.913 44.756 1.00 0.05 H HETATM 2275 O31 UNN A 224 13.100 19.403 43.860 1.00 -0.33 O HETATM 2276 C32 UNN A 224 12.388 19.421 45.112 1.00 0.06 C HETATM 2277 H27 UNN A 224 12.018 20.438 45.309 1.00 0.06 H HETATM 2278 H28 UNN A 224 13.065 19.114 45.923 1.00 0.06 H HETATM 2279 H29 UNN A 224 11.538 18.725 45.060 1.00 0.06 H HETATM 2280 H16 UNN A 224 14.710 19.336 41.709 1.00 0.05 H HETATM 2281 H14 UNN A 224 15.767 17.297 40.729 1.00 0.05 H HETATM 2282 H12 UNN A 224 16.455 14.950 41.056 1.00 0.04 H HETATM 2283 H13 UNN A 224 15.771 13.985 42.407 1.00 0.04 H HETATM 2284 N1 UNN A 224 15.130 12.937 39.894 1.00 -0.28 N HETATM 2285 C3 UNN A 224 15.875 13.103 38.818 1.00 0.20 C HETATM 2286 C4 UNN A 224 16.475 11.850 38.227 1.00 0.13 C HETATM 2287 N5 UNN A 224 16.979 12.073 36.888 1.00 -0.24 N HETATM 2288 C7 UNN A 224 18.390 11.731 36.729 1.00 0.04 C HETATM 2289 C8 UNN A 224 18.644 10.794 37.933 1.00 -0.03 C HETATM 2290 C6 UNN A 224 17.743 11.408 39.003 1.00 -0.01 C HETATM 2291 H20 UNN A 224 17.489 10.664 39.773 1.00 0.03 H HETATM 2292 H21 UNN A 224 18.232 12.273 39.475 1.00 0.03 H HETATM 2293 H24 UNN A 224 18.347 9.760 37.705 1.00 0.03 H HETATM 2294 H25 UNN A 224 19.700 10.813 38.240 1.00 0.03 H HETATM 2295 H22 UNN A 224 19.025 12.628 36.782 1.00 0.05 H HETATM 2296 H23 UNN A 224 18.568 11.211 35.776 1.00 0.05 H HETATM 2297 C10 UNN A 224 16.093 12.282 35.871 1.00 0.26 C HETATM 2298 O11 UNN A 224 14.872 12.233 36.060 1.00 -0.40 O HETATM 2299 N12 UNN A 224 16.616 12.504 34.650 1.00 -0.26 N HETATM 2300 C13 UNN A 224 15.801 12.630 33.456 1.00 0.07 C HETATM 2301 C14 UNN A 224 15.703 14.055 32.879 1.00 -0.01 C HETATM 2302 C17 UNN A 224 16.163 15.156 33.614 1.00 -0.06 C HETATM 2303 C16 UNN A 224 16.069 16.460 33.072 1.00 -0.07 C HETATM 2304 C15 UNN A 224 15.550 16.657 31.791 1.00 -0.06 C HETATM 2305 C18 UNN A 224 15.119 15.551 31.025 1.00 -0.02 C HETATM 2306 C19 UNN A 224 15.186 14.238 31.582 1.00 -0.01 C HETATM 2307 C20 UNN A 224 14.703 13.182 30.790 1.00 -0.05 C HETATM 2308 C21 UNN A 224 14.147 13.395 29.523 1.00 -0.06 C HETATM 2309 C22 UNN A 224 14.095 14.690 29.004 1.00 -0.06 C HETATM 2310 C23 UNN A 224 14.542 15.769 29.762 1.00 -0.06 C HETATM 2311 H11 UNN A 224 14.445 16.778 29.378 1.00 0.06 H HETATM 2312 H10 UNN A 224 13.705 14.856 28.006 1.00 0.06 H HETATM 2313 H9 UNN A 224 13.760 12.561 28.949 1.00 0.06 H HETATM 2314 H8 UNN A 224 14.763 12.170 31.173 1.00 0.06 H HETATM 2315 H5 UNN A 224 15.478 17.659 31.384 1.00 0.05 H HETATM 2316 H6 UNN A 224 16.402 17.311 33.655 1.00 0.06 H HETATM 2317 H7 UNN A 224 16.591 15.009 34.599 1.00 0.05 H HETATM 2318 H3 UNN A 224 16.229 11.977 32.681 1.00 0.07 H HETATM 2319 H4 UNN A 224 14.784 12.291 33.700 1.00 0.07 H HETATM 2320 H26 UNN A 224 17.609 12.585 34.562 1.00 0.19 H HETATM 2321 H19 UNN A 224 15.717 11.053 38.230 1.00 0.08 H HETATM 2322 O9 UNN A 224 16.075 14.228 38.317 1.00 -0.39 O HETATM 2323 H18 UNN A 224 14.973 12.007 40.225 1.00 0.19 H HETATM 2324 H1 UNN A 224 14.178 14.811 39.911 1.00 0.05 H HETATM 2325 H2 UNN A 224 13.660 13.675 41.203 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 53 52 1278 CONECT 230 229 375 CONECT 375 230 374 CONECT 1044 1043 1874 CONECT 1098 1097 1622 CONECT 1278 53 1277 CONECT 1377 1376 1454 CONECT 1410 1411 1420 1421 1422 CONECT 1420 1410 CONECT 1421 1410 CONECT 1422 1410 CONECT 1454 1377 1453 CONECT 1548 1547 1760 CONECT 1622 1098 1621 CONECT 1760 1548 1759 CONECT 1874 1044 1873 CONECT 2265 2266 2284 2324 2325 CONECT 2266 2265 2267 2282 2283 CONECT 2267 2266 2268 2272 CONECT 2268 2267 2269 2281 CONECT 2269 2268 2270 2280 CONECT 2270 2269 2271 2275 CONECT 2271 2270 2272 2274 CONECT 2272 2267 2271 2273 CONECT 2273 2272 CONECT 2274 2271 CONECT 2275 2270 2276 CONECT 2276 2275 2277 2278 2279 CONECT 2277 2276 CONECT 2278 2276 CONECT 2279 2276 CONECT 2280 2269 CONECT 2281 2268 CONECT 2282 2266 CONECT 2283 2266 CONECT 2284 2265 2285 2323 CONECT 2285 2284 2286 2322 CONECT 2286 2285 2287 2290 2321 CONECT 2287 2286 2288 2297 CONECT 2288 2287 2289 2295 2296 CONECT 2289 2288 2290 2293 2294 CONECT 2290 2286 2289 2291 2292 CONECT 2291 2290 CONECT 2292 2290 CONECT 2293 2289 CONECT 2294 2289 CONECT 2295 2288 CONECT 2296 2288 CONECT 2297 2287 2298 2299 CONECT 2298 2297 CONECT 2299 2297 2300 2320 CONECT 2300 2299 2301 2318 2319 CONECT 2301 2300 2302 2306 CONECT 2302 2301 2303 2317 CONECT 2303 2302 2304 2316 CONECT 2304 2303 2305 2315 CONECT 2305 2304 2306 2310 CONECT 2306 2301 2305 2307 CONECT 2307 2306 2308 2314 CONECT 2308 2307 2309 2313 CONECT 2309 2308 2310 2312 CONECT 2310 2305 2309 2311 CONECT 2311 2310 CONECT 2312 2309 CONECT 2313 2308 CONECT 2314 2307 CONECT 2315 2304 CONECT 2316 2303 CONECT 2317 2302 CONECT 2318 2300 CONECT 2319 2300 CONECT 2320 2299 CONECT 2321 2286 CONECT 2322 2285 CONECT 2323 2284 CONECT 2324 2265 CONECT 2325 2265 MASTER 0 0 0 0 0 0 0 0 2323 2 81 18 END
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Structure:
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Related entries of code: 5fah
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5y9l
RCSB PDB
PDBbind
224aa, >5Y9L_1|Chain... at 99%
5yjk
RCSB PDB
PDBbind
224aa, >5YJK_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5fah
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Kallikrein-7
Ligand Name
5VT
EC.Number
E.C.3.4.21.117
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
IC50=0.7uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat.Chem.Biol. Vol. 12: pp. 1105-1110
Ligand Properties
Formula
C
2
6
H
2
9
N
3
O
3
Molecular Weight
431.527
Exact Mass
431.221
No. of atoms
61
No. of bonds
64
Polar Surface Area
70.67
LOGP Value
4.09 (
Computed with XLOGP3
)
4.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
COc1ccc(cc1)CCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc2c1cccc2
InChI String
InChI=1S/C26H29N3O3/c1-32-22-13-11-19(12-14-22)15-16-27-25(30)24-10-5-17-29(24)26(31)28-18-21-8-4-7-20-6-2-3-9-23(20)21/h2-4,6-9,11-14,24H,5,10,15-18H2,1H3,(H,27,30)(H,28,31)/t24-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P49862
Entrez Gene ID
NCBI Entrez Gene ID:
5650
ASD
Information of known allosteric effects of PDB entries
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