Datasets
Models
650 lines (649 with data), 50.9 kB
HEADER 1K9Q_PROTEIN COMPND 1K9Q_PROTEIN REMARK GENERATED BY X-TOOL on Wed Nov 21 12:12:24 2012 SEQRES 1 A 40 PHE GLU ILE PRO ASP ASP VAL PRO LEU PRO ALA GLY TRP SEQRES 2 A 40 GLU MET ALA LYS THR SER SER GLY GLN ARG TYR PHE LEU SEQRES 3 A 40 ASN HIS ILE ASP GLN THR THR THR TRP GLN ASP PRO ARG SEQRES 4 A 40 LYS ATOM 1 N PHE A 5 10.549 -4.761 -3.586 1.00 0.00 N ATOM 2 HN1 PHE A 5 11.095 -4.329 -4.359 1.00 0.00 H ATOM 3 HN2 PHE A 5 9.533 -4.612 -3.752 1.00 0.00 H ATOM 4 HN3 PHE A 5 10.821 -4.325 -2.682 1.00 0.00 H ATOM 5 CA PHE A 5 10.834 -6.224 -3.536 1.00 0.00 C ATOM 6 HA PHE A 5 10.550 -6.732 -4.458 1.00 0.00 H ATOM 7 C PHE A 5 10.040 -6.879 -2.404 1.00 0.00 C ATOM 8 O PHE A 5 9.299 -6.227 -1.694 1.00 0.00 O ATOM 9 CB PHE A 5 12.336 -6.325 -3.266 1.00 0.00 C ATOM 10 HB1 PHE A 5 12.680 -5.412 -2.780 1.00 0.00 H ATOM 11 HB2 PHE A 5 12.532 -7.178 -2.616 1.00 0.00 H ATOM 12 CG PHE A 5 13.071 -6.508 -4.572 1.00 0.00 C ATOM 13 CD1 PHE A 5 12.941 -7.705 -5.287 1.00 0.00 C ATOM 14 HD1 PHE A 5 12.309 -8.505 -4.901 1.00 0.00 H ATOM 15 CD2 PHE A 5 13.884 -5.482 -5.068 1.00 0.00 C ATOM 16 HD2 PHE A 5 13.985 -4.550 -4.512 1.00 0.00 H ATOM 17 CE1 PHE A 5 13.623 -7.875 -6.498 1.00 0.00 C ATOM 18 HE1 PHE A 5 13.521 -8.806 -7.055 1.00 0.00 H ATOM 19 CE2 PHE A 5 14.567 -5.652 -6.278 1.00 0.00 C ATOM 20 HE2 PHE A 5 15.200 -4.853 -6.663 1.00 0.00 H ATOM 21 CZ PHE A 5 14.436 -6.849 -6.993 1.00 0.00 C ATOM 22 HZ PHE A 5 14.967 -6.982 -7.935 1.00 0.00 H ATOM 23 N GLU A 6 10.187 -8.165 -2.230 1.00 0.00 N ATOM 24 H GLU A 6 10.826 -8.704 -2.849 1.00 0.00 H ATOM 25 CA GLU A 6 9.439 -8.860 -1.144 1.00 0.00 C ATOM 26 HA GLU A 6 9.549 -9.943 -1.197 1.00 0.00 H ATOM 27 C GLU A 6 7.942 -8.560 -1.253 1.00 0.00 C ATOM 28 O GLU A 6 7.334 -8.041 -0.338 1.00 0.00 O ATOM 29 CB GLU A 6 10.006 -8.290 0.157 1.00 0.00 C ATOM 30 HB1 GLU A 6 10.603 -7.405 -0.063 1.00 0.00 H ATOM 31 HB2 GLU A 6 9.187 -8.017 0.822 1.00 0.00 H ATOM 32 CG GLU A 6 10.885 -9.344 0.835 1.00 0.00 C ATOM 33 HG1 GLU A 6 10.712 -9.324 1.911 1.00 0.00 H ATOM 34 HG2 GLU A 6 10.634 -10.331 0.446 1.00 0.00 H ATOM 35 CD GLU A 6 12.357 -9.042 0.549 1.00 0.00 C ATOM 36 OE1 GLU A 6 12.927 -8.237 1.269 1.00 0.00 O ATOM 37 OE2 GLU A 6 12.890 -9.621 -0.383 1.00 0.00 O ATOM 38 N ILE A 7 7.344 -8.882 -2.368 1.00 0.00 N ATOM 39 H ILE A 7 7.883 -9.325 -3.139 1.00 0.00 H ATOM 40 CA ILE A 7 5.885 -8.613 -2.535 1.00 0.00 C ATOM 41 HA ILE A 7 5.298 -8.964 -1.686 1.00 0.00 H ATOM 42 C ILE A 7 5.351 -9.343 -3.776 1.00 0.00 C ATOM 43 O ILE A 7 5.043 -8.720 -4.773 1.00 0.00 O ATOM 44 CB ILE A 7 5.781 -7.098 -2.711 1.00 0.00 C ATOM 45 HB ILE A 7 6.205 -6.602 -1.838 1.00 0.00 H ATOM 46 CG1 ILE A 7 4.310 -6.702 -2.860 1.00 0.00 C ATOM 47 1HG1 ILE A 7 4.244 -5.672 -3.212 1.00 0.00 H ATOM 48 2HG1 ILE A 7 3.827 -7.362 -3.580 1.00 0.00 H ATOM 49 CG2 ILE A 7 6.554 -6.672 -3.961 1.00 0.00 C ATOM 50 1HG2 ILE A 7 7.601 -6.954 -3.852 1.00 0.00 H ATOM 51 2HG2 ILE A 7 6.132 -7.169 -4.835 1.00 0.00 H ATOM 52 3HG2 ILE A 7 6.478 -5.592 -4.083 1.00 0.00 H ATOM 53 CD1 ILE A 7 3.609 -6.824 -1.506 1.00 0.00 C ATOM 54 1HD1 ILE A 7 3.675 -7.854 -1.156 1.00 0.00 H ATOM 55 2HD1 ILE A 7 4.093 -6.163 -0.787 1.00 0.00 H ATOM 56 3HD1 ILE A 7 2.562 -6.542 -1.614 1.00 0.00 H ATOM 57 N PRO A 8 5.260 -10.648 -3.678 1.00 0.00 N ATOM 58 CA PRO A 8 4.756 -11.457 -4.815 1.00 0.00 C ATOM 59 HA PRO A 8 5.200 -11.177 -5.770 1.00 0.00 H ATOM 60 C PRO A 8 3.246 -11.270 -4.976 1.00 0.00 C ATOM 61 O PRO A 8 2.609 -10.587 -4.198 1.00 0.00 O ATOM 62 CB PRO A 8 5.087 -12.891 -4.410 1.00 0.00 C ATOM 63 HB1 PRO A 8 4.306 -13.574 -4.745 1.00 0.00 H ATOM 64 HB2 PRO A 8 6.043 -13.198 -4.835 1.00 0.00 H ATOM 65 CG PRO A 8 5.159 -12.866 -2.916 1.00 0.00 C ATOM 66 HG1 PRO A 8 4.178 -13.077 -2.490 1.00 0.00 H ATOM 67 HG2 PRO A 8 5.874 -13.609 -2.563 1.00 0.00 H ATOM 68 CD PRO A 8 5.610 -11.483 -2.518 1.00 0.00 C ATOM 69 HD1 PRO A 8 6.684 -11.463 -2.336 1.00 0.00 H ATOM 70 HD2 PRO A 8 5.085 -11.146 -1.625 1.00 0.00 H ATOM 71 N ASP A 9 2.666 -11.872 -5.978 1.00 0.00 N ATOM 72 H ASP A 9 3.229 -12.453 -6.631 1.00 0.00 H ATOM 73 CA ASP A 9 1.197 -11.728 -6.187 1.00 0.00 C ATOM 74 HA ASP A 9 0.777 -10.907 -5.606 1.00 0.00 H ATOM 75 C ASP A 9 0.472 -13.002 -5.747 1.00 0.00 C ATOM 76 O ASP A 9 -0.553 -13.363 -6.288 1.00 0.00 O ATOM 77 CB ASP A 9 1.030 -11.509 -7.691 1.00 0.00 C ATOM 78 HB1 ASP A 9 1.657 -12.217 -8.233 1.00 0.00 H ATOM 79 HB2 ASP A 9 -0.013 -11.664 -7.967 1.00 0.00 H ATOM 80 CG ASP A 9 1.446 -10.080 -8.048 1.00 0.00 C ATOM 81 OD1 ASP A 9 2.363 -9.576 -7.418 1.00 0.00 O ATOM 82 OD2 ASP A 9 0.843 -9.514 -8.944 1.00 0.00 O ATOM 83 N ASP A 10 0.999 -13.687 -4.768 1.00 0.00 N ATOM 84 H ASP A 10 1.878 -13.360 -4.319 1.00 0.00 H ATOM 85 CA ASP A 10 0.340 -14.938 -4.294 1.00 0.00 C ATOM 86 HA ASP A 10 0.214 -15.668 -5.094 1.00 0.00 H ATOM 87 C ASP A 10 -1.058 -14.625 -3.751 1.00 0.00 C ATOM 88 O ASP A 10 -1.934 -15.466 -3.747 1.00 0.00 O ATOM 89 CB ASP A 10 1.244 -15.464 -3.179 1.00 0.00 C ATOM 90 HB1 ASP A 10 2.197 -14.935 -3.203 1.00 0.00 H ATOM 91 HB2 ASP A 10 0.764 -15.301 -2.214 1.00 0.00 H ATOM 92 CG ASP A 10 1.486 -16.960 -3.383 1.00 0.00 C ATOM 93 OD1 ASP A 10 1.534 -17.383 -4.525 1.00 0.00 O ATOM 94 OD2 ASP A 10 1.621 -17.659 -2.392 1.00 0.00 O ATOM 95 N VAL A 11 -1.271 -13.422 -3.293 1.00 0.00 N ATOM 96 H VAL A 11 -0.506 -12.718 -3.305 1.00 0.00 H ATOM 97 CA VAL A 11 -2.612 -13.057 -2.752 1.00 0.00 C ATOM 98 HA VAL A 11 -3.401 -13.706 -3.131 1.00 0.00 H ATOM 99 C VAL A 11 -2.977 -11.625 -3.162 1.00 0.00 C ATOM 100 O VAL A 11 -2.119 -10.768 -3.233 1.00 0.00 O ATOM 101 CB VAL A 11 -2.466 -13.159 -1.233 1.00 0.00 C ATOM 102 HB VAL A 11 -2.225 -14.186 -0.959 1.00 0.00 H ATOM 103 CG1 VAL A 11 -1.344 -12.230 -0.765 1.00 0.00 C ATOM 104 1HG1 VAL A 11 -0.409 -12.524 -1.241 1.00 0.00 H ATOM 105 2HG1 VAL A 11 -1.586 -11.203 -1.039 1.00 0.00 H ATOM 106 3HG1 VAL A 11 -1.241 -12.304 0.318 1.00 0.00 H ATOM 107 CG2 VAL A 11 -3.780 -12.748 -0.566 1.00 0.00 C ATOM 108 1HG2 VAL A 11 -4.020 -11.721 -0.841 1.00 0.00 H ATOM 109 2HG2 VAL A 11 -4.578 -13.410 -0.900 1.00 0.00 H ATOM 110 3HG2 VAL A 11 -3.675 -12.821 0.516 1.00 0.00 H ATOM 111 N PRO A 12 -4.245 -11.409 -3.423 1.00 0.00 N ATOM 112 CA PRO A 12 -4.713 -10.060 -3.831 1.00 0.00 C ATOM 113 HA PRO A 12 -4.097 -9.602 -4.605 1.00 0.00 H ATOM 114 C PRO A 12 -4.675 -9.105 -2.633 1.00 0.00 C ATOM 115 O PRO A 12 -3.978 -9.336 -1.666 1.00 0.00 O ATOM 116 CB PRO A 12 -6.147 -10.305 -4.295 1.00 0.00 C ATOM 117 HB1 PRO A 12 -6.785 -9.460 -4.034 1.00 0.00 H ATOM 118 HB2 PRO A 12 -6.180 -10.464 -5.373 1.00 0.00 H ATOM 119 CG PRO A 12 -6.580 -11.534 -3.569 1.00 0.00 C ATOM 120 HG1 PRO A 12 -7.015 -11.267 -2.606 1.00 0.00 H ATOM 121 HG2 PRO A 12 -7.316 -12.079 -4.160 1.00 0.00 H ATOM 122 CD PRO A 12 -5.349 -12.379 -3.366 1.00 0.00 C ATOM 123 HD1 PRO A 12 -5.254 -13.123 -4.157 1.00 0.00 H ATOM 124 HD2 PRO A 12 -5.377 -12.880 -2.398 1.00 0.00 H ATOM 125 N LEU A 13 -5.419 -8.034 -2.689 1.00 0.00 N ATOM 126 H LEU A 13 -6.009 -7.854 -3.526 1.00 0.00 H ATOM 127 CA LEU A 13 -5.423 -7.069 -1.552 1.00 0.00 C ATOM 128 HA LEU A 13 -4.561 -7.198 -0.898 1.00 0.00 H ATOM 129 C LEU A 13 -6.672 -7.273 -0.688 1.00 0.00 C ATOM 130 O LEU A 13 -7.457 -8.165 -0.942 1.00 0.00 O ATOM 131 CB LEU A 13 -5.444 -5.688 -2.206 1.00 0.00 C ATOM 132 HB1 LEU A 13 -5.604 -5.797 -3.279 1.00 0.00 H ATOM 133 HB2 LEU A 13 -6.252 -5.096 -1.777 1.00 0.00 H ATOM 134 CG LEU A 13 -4.108 -4.982 -1.959 1.00 0.00 C ATOM 135 HG LEU A 13 -3.516 -5.561 -1.250 1.00 0.00 H ATOM 136 CD1 LEU A 13 -3.347 -4.858 -3.279 1.00 0.00 C ATOM 137 1HD1 LEU A 13 -3.164 -5.852 -3.686 1.00 0.00 H ATOM 138 2HD1 LEU A 13 -3.940 -4.278 -3.986 1.00 0.00 H ATOM 139 3HD1 LEU A 13 -2.396 -4.355 -3.103 1.00 0.00 H ATOM 140 CD2 LEU A 13 -4.367 -3.586 -1.389 1.00 0.00 C ATOM 141 1HD2 LEU A 13 -4.958 -3.009 -2.100 1.00 0.00 H ATOM 142 2HD2 LEU A 13 -4.912 -3.674 -0.449 1.00 0.00 H ATOM 143 3HD2 LEU A 13 -3.415 -3.084 -1.214 1.00 0.00 H ATOM 144 N PRO A 14 -6.820 -6.438 0.312 1.00 0.00 N ATOM 145 CA PRO A 14 -7.985 -6.537 1.214 1.00 0.00 C ATOM 146 HA PRO A 14 -8.350 -7.556 1.342 1.00 0.00 H ATOM 147 C PRO A 14 -9.164 -5.733 0.654 1.00 0.00 C ATOM 148 O PRO A 14 -8.987 -4.800 -0.103 1.00 0.00 O ATOM 149 CB PRO A 14 -7.472 -5.923 2.512 1.00 0.00 C ATOM 150 HB1 PRO A 14 -8.265 -5.362 3.006 1.00 0.00 H ATOM 151 HB2 PRO A 14 -7.107 -6.702 3.182 1.00 0.00 H ATOM 152 CG PRO A 14 -6.349 -5.004 2.117 1.00 0.00 C ATOM 153 HG1 PRO A 14 -6.685 -3.968 2.169 1.00 0.00 H ATOM 154 HG2 PRO A 14 -5.504 -5.145 2.791 1.00 0.00 H ATOM 155 CD PRO A 14 -5.934 -5.335 0.702 1.00 0.00 C ATOM 156 HD1 PRO A 14 -4.890 -5.648 0.669 1.00 0.00 H ATOM 157 HD2 PRO A 14 -6.076 -4.476 0.047 1.00 0.00 H ATOM 158 N ALA A 15 -10.365 -6.092 1.020 1.00 0.00 N ATOM 159 H ALA A 15 -10.493 -6.895 1.668 1.00 0.00 H ATOM 160 CA ALA A 15 -11.554 -5.349 0.508 1.00 0.00 C ATOM 161 HA ALA A 15 -11.541 -5.246 -0.577 1.00 0.00 H ATOM 162 C ALA A 15 -11.584 -3.932 1.087 1.00 0.00 C ATOM 163 O ALA A 15 -11.026 -3.667 2.133 1.00 0.00 O ATOM 164 CB ALA A 15 -12.761 -6.153 0.992 1.00 0.00 C ATOM 165 HB1 ALA A 15 -12.711 -7.163 0.584 1.00 0.00 H ATOM 166 HB2 ALA A 15 -12.753 -6.199 2.081 1.00 0.00 H ATOM 167 HB3 ALA A 15 -13.677 -5.669 0.654 1.00 0.00 H ATOM 168 N GLY A 16 -12.231 -3.018 0.413 1.00 0.00 N ATOM 169 H GLY A 16 -12.702 -3.265 -0.480 1.00 0.00 H ATOM 170 CA GLY A 16 -12.292 -1.619 0.928 1.00 0.00 C ATOM 171 HA1 GLY A 16 -12.791 -0.984 0.197 1.00 0.00 H ATOM 172 HA2 GLY A 16 -12.849 -1.600 1.865 1.00 0.00 H ATOM 173 C GLY A 16 -10.874 -1.103 1.168 1.00 0.00 C ATOM 174 O GLY A 16 -10.574 -0.537 2.201 1.00 0.00 O ATOM 175 N TRP A 17 -9.994 -1.300 0.224 1.00 0.00 N ATOM 176 H TRP A 17 -10.270 -1.786 -0.653 1.00 0.00 H ATOM 177 CA TRP A 17 -8.592 -0.827 0.407 1.00 0.00 C ATOM 178 HA TRP A 17 -8.542 0.064 1.033 1.00 0.00 H ATOM 179 C TRP A 17 -7.964 -0.462 -0.940 1.00 0.00 C ATOM 180 O TRP A 17 -7.447 -1.310 -1.640 1.00 0.00 O ATOM 181 CB TRP A 17 -7.855 -2.018 1.019 1.00 0.00 C ATOM 182 HB1 TRP A 17 -8.441 -2.924 0.865 1.00 0.00 H ATOM 183 HB2 TRP A 17 -6.884 -2.129 0.537 1.00 0.00 H ATOM 184 CG TRP A 17 -7.660 -1.796 2.484 1.00 0.00 C ATOM 185 CD1 TRP A 17 -8.550 -2.123 3.449 1.00 0.00 C ATOM 186 HD1 TRP A 17 -9.525 -2.582 3.283 1.00 0.00 H ATOM 187 CD2 TRP A 17 -6.512 -1.219 3.166 1.00 0.00 C ATOM 188 NE1 TRP A 17 -8.021 -1.780 4.680 1.00 0.00 N ATOM 189 HE1 TRP A 17 -8.509 -1.927 5.587 1.00 0.00 H ATOM 190 CE2 TRP A 17 -6.765 -1.218 4.557 1.00 0.00 C ATOM 191 CE3 TRP A 17 -5.287 -0.700 2.712 1.00 0.00 C ATOM 192 HE3 TRP A 17 -5.065 -0.688 1.645 1.00 0.00 H ATOM 193 CZ2 TRP A 17 -5.833 -0.719 5.468 1.00 0.00 C ATOM 194 HZ2 TRP A 17 -6.050 -0.729 6.536 1.00 0.00 H ATOM 195 CZ3 TRP A 17 -4.348 -0.197 3.626 1.00 0.00 C ATOM 196 HZ3 TRP A 17 -3.401 0.203 3.264 1.00 0.00 H ATOM 197 CH2 TRP A 17 -4.620 -0.206 5.001 1.00 0.00 C ATOM 198 HH2 TRP A 17 -3.886 0.187 5.705 1.00 0.00 H ATOM 199 N GLU A 18 -7.981 0.791 -1.304 1.00 0.00 N ATOM 200 H GLU A 18 -8.427 1.508 -0.696 1.00 0.00 H ATOM 201 CA GLU A 18 -7.356 1.187 -2.599 1.00 0.00 C ATOM 202 HA GLU A 18 -7.594 0.494 -3.406 1.00 0.00 H ATOM 203 C GLU A 18 -5.840 1.217 -2.428 1.00 0.00 C ATOM 204 O GLU A 18 -5.319 0.887 -1.382 1.00 0.00 O ATOM 205 CB GLU A 18 -7.884 2.594 -2.904 1.00 0.00 C ATOM 206 HB1 GLU A 18 -8.924 2.668 -2.587 1.00 0.00 H ATOM 207 HB2 GLU A 18 -7.288 3.330 -2.364 1.00 0.00 H ATOM 208 CG GLU A 18 -7.789 2.865 -4.408 1.00 0.00 C ATOM 209 HG1 GLU A 18 -7.139 3.722 -4.582 1.00 0.00 H ATOM 210 HG2 GLU A 18 -7.376 1.990 -4.909 1.00 0.00 H ATOM 211 CD GLU A 18 -9.183 3.161 -4.964 1.00 0.00 C ATOM 212 OE1 GLU A 18 -9.820 4.072 -4.457 1.00 0.00 O ATOM 213 OE2 GLU A 18 -9.591 2.474 -5.885 1.00 0.00 O ATOM 214 N MET A 19 -5.128 1.625 -3.434 1.00 0.00 N ATOM 215 H MET A 19 -5.592 1.902 -4.323 1.00 0.00 H ATOM 216 CA MET A 19 -3.651 1.696 -3.314 1.00 0.00 C ATOM 217 HA MET A 19 -3.327 1.859 -2.286 1.00 0.00 H ATOM 218 C MET A 19 -3.134 2.853 -4.151 1.00 0.00 C ATOM 219 O MET A 19 -3.853 3.430 -4.942 1.00 0.00 O ATOM 220 CB MET A 19 -3.126 0.374 -3.847 1.00 0.00 C ATOM 221 HB1 MET A 19 -2.036 0.382 -3.821 1.00 0.00 H ATOM 222 HB2 MET A 19 -3.497 -0.439 -3.224 1.00 0.00 H ATOM 223 CG MET A 19 -3.597 0.164 -5.288 1.00 0.00 C ATOM 224 HG1 MET A 19 -2.870 -0.448 -5.821 1.00 0.00 H ATOM 225 HG2 MET A 19 -3.689 1.130 -5.784 1.00 0.00 H ATOM 226 SD MET A 19 -5.206 -0.671 -5.290 1.00 0.00 S ATOM 227 CE MET A 19 -4.700 -2.155 -4.384 1.00 0.00 C ATOM 228 HE1 MET A 19 -3.912 -2.666 -4.938 1.00 0.00 H ATOM 229 HE2 MET A 19 -4.328 -1.869 -3.400 1.00 0.00 H ATOM 230 HE3 MET A 19 -5.556 -2.820 -4.271 1.00 0.00 H ATOM 231 N ALA A 20 -1.897 3.208 -3.981 1.00 0.00 N ATOM 232 H ALA A 20 -1.296 2.702 -3.299 1.00 0.00 H ATOM 233 CA ALA A 20 -1.346 4.339 -4.765 1.00 0.00 C ATOM 234 HA ALA A 20 -1.474 4.226 -5.842 1.00 0.00 H ATOM 235 C ALA A 20 0.162 4.449 -4.526 1.00 0.00 C ATOM 236 O ALA A 20 0.661 4.105 -3.472 1.00 0.00 O ATOM 237 CB ALA A 20 -2.098 5.563 -4.234 1.00 0.00 C ATOM 238 HB1 ALA A 20 -3.167 5.431 -4.400 1.00 0.00 H ATOM 239 HB2 ALA A 20 -1.905 5.671 -3.167 1.00 0.00 H ATOM 240 HB3 ALA A 20 -1.755 6.455 -4.759 1.00 0.00 H ATOM 241 N LYS A 21 0.897 4.907 -5.502 1.00 0.00 N ATOM 242 H LYS A 21 0.455 5.193 -6.399 1.00 0.00 H ATOM 243 CA LYS A 21 2.372 5.018 -5.326 1.00 0.00 C ATOM 244 HA LYS A 21 2.730 4.422 -4.486 1.00 0.00 H ATOM 245 C LYS A 21 2.771 6.465 -5.034 1.00 0.00 C ATOM 246 O LYS A 21 2.415 7.377 -5.755 1.00 0.00 O ATOM 247 CB LYS A 21 2.970 4.547 -6.656 1.00 0.00 C ATOM 248 HB1 LYS A 21 4.057 4.538 -6.581 1.00 0.00 H ATOM 249 HB2 LYS A 21 2.614 3.541 -6.877 1.00 0.00 H ATOM 250 CG LYS A 21 2.545 5.496 -7.780 1.00 0.00 C ATOM 251 HG1 LYS A 21 2.183 4.916 -8.629 1.00 0.00 H ATOM 252 HG2 LYS A 21 1.749 6.149 -7.423 1.00 0.00 H ATOM 253 CD LYS A 21 3.744 6.342 -8.214 1.00 0.00 C ATOM 254 HD1 LYS A 21 3.631 7.356 -7.831 1.00 0.00 H ATOM 255 HD2 LYS A 21 4.660 5.905 -7.816 1.00 0.00 H ATOM 256 CE LYS A 21 3.817 6.378 -9.741 1.00 0.00 C ATOM 257 HE1 LYS A 21 3.085 5.698 -10.177 1.00 0.00 H ATOM 258 HE2 LYS A 21 4.815 6.105 -10.084 1.00 0.00 H ATOM 259 NZ LYS A 21 3.504 7.789 -10.105 1.00 0.00 N ATOM 260 HZ1 LYS A 21 2.554 8.033 -9.758 1.00 0.00 H ATOM 261 HZ2 LYS A 21 4.206 8.422 -9.670 1.00 0.00 H ATOM 262 HZ3 LYS A 21 3.534 7.894 -11.139 1.00 0.00 H ATOM 263 N THR A 22 3.507 6.683 -3.980 1.00 0.00 N ATOM 264 H THR A 22 3.801 5.889 -3.376 1.00 0.00 H ATOM 265 CA THR A 22 3.926 8.074 -3.642 1.00 0.00 C ATOM 266 HA THR A 22 3.442 8.813 -4.281 1.00 0.00 H ATOM 267 C THR A 22 5.437 8.246 -3.839 1.00 0.00 C ATOM 268 O THR A 22 6.030 9.186 -3.347 1.00 0.00 O ATOM 269 CB THR A 22 3.552 8.254 -2.170 1.00 0.00 C ATOM 270 HB THR A 22 2.486 8.069 -2.041 1.00 0.00 H ATOM 271 OG1 THR A 22 3.856 9.582 -1.765 1.00 0.00 O ATOM 272 HG1 THR A 22 4.825 9.748 -1.883 1.00 0.00 H ATOM 273 CG2 THR A 22 4.342 7.264 -1.315 1.00 0.00 C ATOM 274 1HG2 THR A 22 5.409 7.447 -1.442 1.00 0.00 H ATOM 275 2HG2 THR A 22 4.072 7.395 -0.267 1.00 0.00 H ATOM 276 3HG2 THR A 22 4.107 6.247 -1.628 1.00 0.00 H ATOM 277 N SER A 23 6.067 7.351 -4.553 1.00 0.00 N ATOM 278 H SER A 23 5.544 6.552 -4.966 1.00 0.00 H ATOM 279 CA SER A 23 7.539 7.477 -4.775 1.00 0.00 C ATOM 280 HA SER A 23 7.801 8.428 -5.238 1.00 0.00 H ATOM 281 C SER A 23 8.038 6.375 -5.715 1.00 0.00 C ATOM 282 O SER A 23 7.294 5.848 -6.520 1.00 0.00 O ATOM 283 CB SER A 23 8.167 7.321 -3.389 1.00 0.00 C ATOM 284 HB1 SER A 23 8.732 6.390 -3.349 1.00 0.00 H ATOM 285 HB2 SER A 23 7.381 7.301 -2.634 1.00 0.00 H ATOM 286 OG SER A 23 9.037 8.415 -3.138 1.00 0.00 O ATOM 287 HG SER A 23 8.522 9.260 -3.175 1.00 0.00 H ATOM 288 N SER A 24 9.292 6.026 -5.619 1.00 0.00 N ATOM 289 H SER A 24 9.908 6.493 -4.923 1.00 0.00 H ATOM 290 CA SER A 24 9.845 4.959 -6.505 1.00 0.00 C ATOM 291 HA SER A 24 9.641 5.150 -7.559 1.00 0.00 H ATOM 292 C SER A 24 9.209 3.609 -6.167 1.00 0.00 C ATOM 293 O SER A 24 9.823 2.756 -5.557 1.00 0.00 O ATOM 294 CB SER A 24 11.344 4.936 -6.209 1.00 0.00 C ATOM 295 HB1 SER A 24 11.667 3.907 -6.051 1.00 0.00 H ATOM 296 HB2 SER A 24 11.546 5.521 -5.312 1.00 0.00 H ATOM 297 OG SER A 24 12.053 5.492 -7.306 1.00 0.00 O ATOM 298 HG SER A 24 13.024 5.476 -7.112 1.00 0.00 H ATOM 299 N GLY A 25 7.982 3.412 -6.557 1.00 0.00 N ATOM 300 H GLY A 25 7.478 4.157 -7.079 1.00 0.00 H ATOM 301 CA GLY A 25 7.299 2.122 -6.258 1.00 0.00 C ATOM 302 HA1 GLY A 25 6.503 1.957 -6.984 1.00 0.00 H ATOM 303 HA2 GLY A 25 8.020 1.307 -6.320 1.00 0.00 H ATOM 304 C GLY A 25 6.702 2.166 -4.851 1.00 0.00 C ATOM 305 O GLY A 25 6.326 1.151 -4.299 1.00 0.00 O ATOM 306 N GLN A 26 6.603 3.327 -4.261 1.00 0.00 N ATOM 307 H GLN A 26 6.928 4.189 -4.744 1.00 0.00 H ATOM 308 CA GLN A 26 6.022 3.410 -2.894 1.00 0.00 C ATOM 309 HA GLN A 26 6.441 2.666 -2.216 1.00 0.00 H ATOM 310 C GLN A 26 4.515 3.162 -2.957 1.00 0.00 C ATOM 311 O GLN A 26 3.718 4.023 -2.638 1.00 0.00 O ATOM 312 CB GLN A 26 6.320 4.832 -2.417 1.00 0.00 C ATOM 313 HB1 GLN A 26 7.298 5.142 -2.784 1.00 0.00 H ATOM 314 HB2 GLN A 26 5.558 5.512 -2.799 1.00 0.00 H ATOM 315 CG GLN A 26 6.314 4.865 -0.887 1.00 0.00 C ATOM 316 HG1 GLN A 26 6.210 5.895 -0.546 1.00 0.00 H ATOM 317 HG2 GLN A 26 5.478 4.274 -0.514 1.00 0.00 H ATOM 318 CD GLN A 26 7.626 4.283 -0.358 1.00 0.00 C ATOM 319 OE1 GLN A 26 7.631 3.254 0.287 1.00 0.00 O ATOM 320 NE2 GLN A 26 8.747 4.903 -0.606 1.00 0.00 N ATOM 321 1HE2 GLN A 26 9.645 4.516 -0.251 1.00 0.00 H ATOM 322 2HE2 GLN A 26 8.743 5.784 -1.158 1.00 0.00 H ATOM 323 N ARG A 27 4.124 1.985 -3.375 1.00 0.00 N ATOM 324 H ARG A 27 4.832 1.273 -3.644 1.00 0.00 H ATOM 325 CA ARG A 27 2.665 1.654 -3.470 1.00 0.00 C ATOM 326 HA ARG A 27 2.148 2.381 -4.097 1.00 0.00 H ATOM 327 C ARG A 27 2.022 1.674 -2.087 1.00 0.00 C ATOM 328 O ARG A 27 1.704 0.639 -1.533 1.00 0.00 O ATOM 329 CB ARG A 27 2.573 0.230 -4.045 1.00 0.00 C ATOM 330 HB1 ARG A 27 1.559 -0.148 -3.912 1.00 0.00 H ATOM 331 HB2 ARG A 27 2.814 0.254 -5.108 1.00 0.00 H ATOM 332 CG ARG A 27 3.557 -0.693 -3.323 1.00 0.00 C ATOM 333 HG1 ARG A 27 4.386 -0.931 -3.989 1.00 0.00 H ATOM 334 HG2 ARG A 27 3.939 -0.191 -2.434 1.00 0.00 H ATOM 335 CD ARG A 27 2.850 -1.979 -2.915 1.00 0.00 C ATOM 336 HD1 ARG A 27 1.813 -1.970 -3.251 1.00 0.00 H ATOM 337 HD2 ARG A 27 2.879 -2.106 -1.833 1.00 0.00 H ATOM 338 NE ARG A 27 3.612 -3.070 -3.593 1.00 0.00 N ATOM 339 HE ARG A 27 4.283 -3.645 -3.044 1.00 0.00 H ATOM 340 CZ ARG A 27 3.447 -3.314 -4.873 1.00 0.00 C ATOM 341 NH1 ARG A 27 2.609 -2.608 -5.593 1.00 0.00 N ATOM 342 1HH1 ARG A 27 2.062 -1.841 -5.152 1.00 0.00 H ATOM 343 2HH1 ARG A 27 2.491 -2.815 -6.605 1.00 0.00 H ATOM 344 NH2 ARG A 27 4.126 -4.274 -5.436 1.00 0.00 N ATOM 345 1HH2 ARG A 27 4.792 -4.840 -4.872 1.00 0.00 H ATOM 346 2HH2 ARG A 27 4.002 -4.474 -6.449 1.00 0.00 H ATOM 347 N TYR A 28 1.803 2.830 -1.530 1.00 0.00 N ATOM 348 H TYR A 28 2.080 3.709 -2.011 1.00 0.00 H ATOM 349 CA TYR A 28 1.151 2.873 -0.196 1.00 0.00 C ATOM 350 HA TYR A 28 1.586 2.184 0.528 1.00 0.00 H ATOM 351 C TYR A 28 -0.307 2.477 -0.374 1.00 0.00 C ATOM 352 O TYR A 28 -0.932 2.809 -1.363 1.00 0.00 O ATOM 353 CB TYR A 28 1.322 4.310 0.320 1.00 0.00 C ATOM 354 HB1 TYR A 28 1.080 4.341 1.382 1.00 0.00 H ATOM 355 HB2 TYR A 28 2.356 4.623 0.175 1.00 0.00 H ATOM 356 CG TYR A 28 0.411 5.249 -0.424 1.00 0.00 C ATOM 357 CD1 TYR A 28 -0.903 5.429 0.014 1.00 0.00 C ATOM 358 HD1 TYR A 28 -1.263 4.895 0.893 1.00 0.00 H ATOM 359 CD2 TYR A 28 0.876 5.932 -1.550 1.00 0.00 C ATOM 360 HD2 TYR A 28 1.902 5.790 -1.889 1.00 0.00 H ATOM 361 CE1 TYR A 28 -1.755 6.293 -0.675 1.00 0.00 C ATOM 362 HE1 TYR A 28 -2.781 6.434 -0.334 1.00 0.00 H ATOM 363 CE2 TYR A 28 0.025 6.796 -2.241 1.00 0.00 C ATOM 364 HE2 TYR A 28 0.387 7.328 -3.121 1.00 0.00 H ATOM 365 CZ TYR A 28 -1.292 6.979 -1.805 1.00 0.00 C ATOM 366 OH TYR A 28 -2.135 7.833 -2.486 1.00 0.00 O ATOM 367 HH TYR A 28 -3.021 7.842 -2.044 1.00 0.00 H ATOM 368 N PHE A 29 -0.836 1.723 0.538 1.00 0.00 N ATOM 369 H PHE A 29 -0.287 1.447 1.377 1.00 0.00 H ATOM 370 CA PHE A 29 -2.230 1.261 0.369 1.00 0.00 C ATOM 371 HA PHE A 29 -2.558 1.277 -0.671 1.00 0.00 H ATOM 372 C PHE A 29 -3.232 2.179 1.048 1.00 0.00 C ATOM 373 O PHE A 29 -3.088 2.582 2.185 1.00 0.00 O ATOM 374 CB PHE A 29 -2.217 -0.150 0.923 1.00 0.00 C ATOM 375 HB1 PHE A 29 -1.660 -0.188 1.859 1.00 0.00 H ATOM 376 HB2 PHE A 29 -3.234 -0.504 1.092 1.00 0.00 H ATOM 377 CG PHE A 29 -1.538 -0.979 -0.129 1.00 0.00 C ATOM 378 CD1 PHE A 29 -2.204 -1.210 -1.328 1.00 0.00 C ATOM 379 HD1 PHE A 29 -3.212 -0.821 -1.471 1.00 0.00 H ATOM 380 CD2 PHE A 29 -0.242 -1.465 0.059 1.00 0.00 C ATOM 381 HD2 PHE A 29 0.281 -1.280 0.997 1.00 0.00 H ATOM 382 CE1 PHE A 29 -1.590 -1.937 -2.349 1.00 0.00 C ATOM 383 HE1 PHE A 29 -2.119 -2.122 -3.284 1.00 0.00 H ATOM 384 CE2 PHE A 29 0.381 -2.190 -0.963 1.00 0.00 C ATOM 385 HE2 PHE A 29 1.392 -2.571 -0.822 1.00 0.00 H ATOM 386 CZ PHE A 29 -0.295 -2.426 -2.168 1.00 0.00 C ATOM 387 HZ PHE A 29 0.190 -2.991 -2.964 1.00 0.00 H ATOM 388 N LEU A 30 -4.238 2.524 0.300 1.00 0.00 N ATOM 389 H LEU A 30 -4.304 2.143 -0.666 1.00 0.00 H ATOM 390 CA LEU A 30 -5.294 3.445 0.785 1.00 0.00 C ATOM 391 HA LEU A 30 -4.931 4.166 1.517 1.00 0.00 H ATOM 392 C LEU A 30 -6.419 2.676 1.482 1.00 0.00 C ATOM 393 O LEU A 30 -7.236 2.039 0.847 1.00 0.00 O ATOM 394 CB LEU A 30 -5.802 4.080 -0.506 1.00 0.00 C ATOM 395 HB1 LEU A 30 -5.762 3.346 -1.311 1.00 0.00 H ATOM 396 HB2 LEU A 30 -6.832 4.409 -0.367 1.00 0.00 H ATOM 397 CG LEU A 30 -4.933 5.276 -0.868 1.00 0.00 C ATOM 398 HG LEU A 30 -3.888 4.970 -0.906 1.00 0.00 H ATOM 399 CD1 LEU A 30 -5.357 5.817 -2.234 1.00 0.00 C ATOM 400 1HD1 LEU A 30 -5.236 5.037 -2.986 1.00 0.00 H ATOM 401 2HD1 LEU A 30 -6.402 6.125 -2.193 1.00 0.00 H ATOM 402 3HD1 LEU A 30 -4.735 6.674 -2.493 1.00 0.00 H ATOM 403 CD2 LEU A 30 -5.109 6.368 0.188 1.00 0.00 C ATOM 404 1HD2 LEU A 30 -6.155 6.673 0.222 1.00 0.00 H ATOM 405 2HD2 LEU A 30 -4.810 5.981 1.162 1.00 0.00 H ATOM 406 3HD2 LEU A 30 -4.487 7.225 -0.070 1.00 0.00 H ATOM 407 N ASN A 31 -6.479 2.746 2.783 1.00 0.00 N ATOM 408 H ASN A 31 -5.770 3.297 3.309 1.00 0.00 H ATOM 409 CA ASN A 31 -7.564 2.036 3.514 1.00 0.00 C ATOM 410 HA ASN A 31 -7.715 1.018 3.156 1.00 0.00 H ATOM 411 C ASN A 31 -8.882 2.790 3.326 1.00 0.00 C ATOM 412 O ASN A 31 -9.022 3.919 3.749 1.00 0.00 O ATOM 413 CB ASN A 31 -7.139 2.058 4.982 1.00 0.00 C ATOM 414 HB1 ASN A 31 -6.110 1.709 5.068 1.00 0.00 H ATOM 415 HB2 ASN A 31 -7.209 3.076 5.366 1.00 0.00 H ATOM 416 CG ASN A 31 -8.058 1.143 5.792 1.00 0.00 C ATOM 417 OD1 ASN A 31 -8.961 0.538 5.251 1.00 0.00 O ATOM 418 ND2 ASN A 31 -7.864 1.015 7.077 1.00 0.00 N ATOM 419 1HD2 ASN A 31 -8.483 0.395 7.637 1.00 0.00 H ATOM 420 2HD2 ASN A 31 -7.090 1.533 7.540 1.00 0.00 H ATOM 421 N HIS A 32 -9.843 2.183 2.685 1.00 0.00 N ATOM 422 H HIS A 32 -9.701 1.217 2.328 1.00 0.00 H ATOM 423 CA HIS A 32 -11.145 2.877 2.465 1.00 0.00 C ATOM 424 HA HIS A 32 -11.014 3.939 2.259 1.00 0.00 H ATOM 425 C HIS A 32 -12.024 2.774 3.715 1.00 0.00 C ATOM 426 O HIS A 32 -12.496 3.765 4.236 1.00 0.00 O ATOM 427 CB HIS A 32 -11.793 2.141 1.292 1.00 0.00 C ATOM 428 HB1 HIS A 32 -11.133 1.341 0.956 1.00 0.00 H ATOM 429 HB2 HIS A 32 -12.744 1.715 1.611 1.00 0.00 H ATOM 430 CG HIS A 32 -12.029 3.105 0.162 1.00 0.00 C ATOM 431 ND1 HIS A 32 -13.210 3.820 0.035 1.00 0.00 N ATOM 432 CD2 HIS A 32 -11.248 3.482 -0.903 1.00 0.00 C ATOM 433 HD2 HIS A 32 -10.245 3.107 -1.110 1.00 0.00 H ATOM 434 CE1 HIS A 32 -13.107 4.582 -1.069 1.00 0.00 C ATOM 435 HE1 HIS A 32 -13.888 5.254 -1.423 1.00 0.00 H ATOM 436 NE2 HIS A 32 -11.930 4.414 -1.678 1.00 0.00 N ATOM 437 N ILE A 33 -12.247 1.583 4.201 1.00 0.00 N ATOM 438 H ILE A 33 -11.832 0.748 3.741 1.00 0.00 H ATOM 439 CA ILE A 33 -13.097 1.419 5.417 1.00 0.00 C ATOM 440 HA ILE A 33 -14.136 1.690 5.231 1.00 0.00 H ATOM 441 C ILE A 33 -12.598 2.331 6.543 1.00 0.00 C ATOM 442 O ILE A 33 -13.338 2.691 7.437 1.00 0.00 O ATOM 443 CB ILE A 33 -12.955 -0.053 5.809 1.00 0.00 C ATOM 444 HB ILE A 33 -13.466 -0.224 6.756 1.00 0.00 H ATOM 445 CG1 ILE A 33 -11.473 -0.406 5.960 1.00 0.00 C ATOM 446 1HG1 ILE A 33 -11.096 -0.803 5.017 1.00 0.00 H ATOM 447 2HG1 ILE A 33 -10.911 0.490 6.226 1.00 0.00 H ATOM 448 CG2 ILE A 33 -13.578 -0.933 4.725 1.00 0.00 C ATOM 449 1HG2 ILE A 33 -14.634 -0.685 4.620 1.00 0.00 H ATOM 450 2HG2 ILE A 33 -13.067 -0.758 3.778 1.00 0.00 H ATOM 451 3HG2 ILE A 33 -13.476 -1.981 5.006 1.00 0.00 H ATOM 452 CD1 ILE A 33 -11.307 -1.457 7.059 1.00 0.00 C ATOM 453 1HD1 ILE A 33 -11.683 -1.058 8.001 1.00 0.00 H ATOM 454 2HD1 ILE A 33 -11.868 -2.352 6.792 1.00 0.00 H ATOM 455 3HD1 ILE A 33 -10.251 -1.707 7.165 1.00 0.00 H ATOM 456 N ASP A 34 -11.349 2.710 6.503 1.00 0.00 N ATOM 457 H ASP A 34 -10.733 2.389 5.729 1.00 0.00 H ATOM 458 CA ASP A 34 -10.805 3.603 7.568 1.00 0.00 C ATOM 459 HA ASP A 34 -11.565 3.881 8.298 1.00 0.00 H ATOM 460 C ASP A 34 -10.280 4.911 6.958 1.00 0.00 C ATOM 461 O ASP A 34 -9.905 5.826 7.666 1.00 0.00 O ATOM 462 CB ASP A 34 -9.660 2.810 8.200 1.00 0.00 C ATOM 463 HB1 ASP A 34 -9.820 1.745 8.033 1.00 0.00 H ATOM 464 HB2 ASP A 34 -8.716 3.110 7.746 1.00 0.00 H ATOM 465 CG ASP A 34 -9.616 3.091 9.703 1.00 0.00 C ATOM 466 OD1 ASP A 34 -9.609 4.255 10.069 1.00 0.00 O ATOM 467 OD2 ASP A 34 -9.589 2.136 10.463 1.00 0.00 O ATOM 468 N GLN A 35 -10.250 5.011 5.654 1.00 0.00 N ATOM 469 H GLN A 35 -10.575 4.218 5.065 1.00 0.00 H ATOM 470 CA GLN A 35 -9.751 6.260 5.009 1.00 0.00 C ATOM 471 HA GLN A 35 -9.683 6.160 3.926 1.00 0.00 H ATOM 472 C GLN A 35 -8.343 6.598 5.512 1.00 0.00 C ATOM 473 O GLN A 35 -8.152 7.535 6.262 1.00 0.00 O ATOM 474 CB GLN A 35 -10.743 7.349 5.420 1.00 0.00 C ATOM 475 HB1 GLN A 35 -10.699 7.492 6.500 1.00 0.00 H ATOM 476 HB2 GLN A 35 -10.486 8.283 4.920 1.00 0.00 H ATOM 477 CG GLN A 35 -12.158 6.927 5.018 1.00 0.00 C ATOM 478 HG1 GLN A 35 -12.106 6.234 4.178 1.00 0.00 H ATOM 479 HG2 GLN A 35 -12.645 6.438 5.861 1.00 0.00 H ATOM 480 CD GLN A 35 -12.963 8.163 4.611 1.00 0.00 C ATOM 481 OE1 GLN A 35 -13.152 9.066 5.401 1.00 0.00 O ATOM 482 NE2 GLN A 35 -13.448 8.241 3.402 1.00 0.00 N ATOM 483 1HE2 GLN A 35 -13.997 9.077 3.115 1.00 0.00 H ATOM 484 2HE2 GLN A 35 -13.286 7.468 2.726 1.00 0.00 H ATOM 485 N THR A 36 -7.358 5.847 5.103 1.00 0.00 N ATOM 486 H THR A 36 -7.542 5.050 4.461 1.00 0.00 H ATOM 487 CA THR A 36 -5.964 6.135 5.560 1.00 0.00 C ATOM 488 HA THR A 36 -5.787 7.208 5.639 1.00 0.00 H ATOM 489 C THR A 36 -4.949 5.575 4.559 1.00 0.00 C ATOM 490 O THR A 36 -5.305 4.911 3.605 1.00 0.00 O ATOM 491 CB THR A 36 -5.806 5.435 6.918 1.00 0.00 C ATOM 492 HB THR A 36 -5.211 4.532 6.783 1.00 0.00 H ATOM 493 OG1 THR A 36 -7.081 5.076 7.439 1.00 0.00 O ATOM 494 HG1 THR A 36 -7.630 5.892 7.557 1.00 0.00 H ATOM 495 CG2 THR A 36 -5.106 6.378 7.897 1.00 0.00 C ATOM 496 1HG2 THR A 36 -5.711 7.275 8.031 1.00 0.00 H ATOM 497 2HG2 THR A 36 -4.980 5.876 8.856 1.00 0.00 H ATOM 498 3HG2 THR A 36 -4.129 6.653 7.499 1.00 0.00 H ATOM 499 N THR A 37 -3.687 5.836 4.771 1.00 0.00 N ATOM 500 H THR A 37 -3.407 6.407 5.594 1.00 0.00 H ATOM 501 CA THR A 37 -2.645 5.317 3.835 1.00 0.00 C ATOM 502 HA THR A 37 -3.064 4.613 3.116 1.00 0.00 H ATOM 503 C THR A 37 -1.553 4.583 4.617 1.00 0.00 C ATOM 504 O THR A 37 -1.099 5.041 5.647 1.00 0.00 O ATOM 505 CB THR A 37 -2.053 6.555 3.148 1.00 0.00 C ATOM 506 HB THR A 37 -1.384 6.235 2.349 1.00 0.00 H ATOM 507 OG1 THR A 37 -1.332 7.321 4.103 1.00 0.00 O ATOM 508 HG1 THR A 37 -0.949 8.120 3.662 1.00 0.00 H ATOM 509 CG2 THR A 37 -3.170 7.410 2.547 1.00 0.00 C ATOM 510 1HG2 THR A 37 -3.845 7.733 3.339 1.00 0.00 H ATOM 511 2HG2 THR A 37 -2.736 8.283 2.060 1.00 0.00 H ATOM 512 3HG2 THR A 37 -3.722 6.821 1.815 1.00 0.00 H ATOM 513 N THR A 38 -1.123 3.448 4.136 1.00 0.00 N ATOM 514 H THR A 38 -1.524 3.071 3.254 1.00 0.00 H ATOM 515 CA THR A 38 -0.056 2.694 4.853 1.00 0.00 C ATOM 516 HA THR A 38 0.588 3.348 5.441 1.00 0.00 H ATOM 517 C THR A 38 0.840 1.968 3.845 1.00 0.00 C ATOM 518 O THR A 38 0.388 1.518 2.811 1.00 0.00 O ATOM 519 CB THR A 38 -0.797 1.690 5.737 1.00 0.00 C ATOM 520 HB THR A 38 -1.414 2.227 6.458 1.00 0.00 H ATOM 521 OG1 THR A 38 0.147 0.883 6.428 1.00 0.00 O ATOM 522 HG1 THR A 38 -0.333 0.233 7.000 1.00 0.00 H ATOM 523 CG2 THR A 38 -1.691 0.804 4.871 1.00 0.00 C ATOM 524 1HG2 THR A 38 -1.077 0.265 4.149 1.00 0.00 H ATOM 525 2HG2 THR A 38 -2.218 0.091 5.505 1.00 0.00 H ATOM 526 3HG2 THR A 38 -2.414 1.426 4.342 1.00 0.00 H ATOM 527 N TRP A 39 2.106 1.855 4.136 1.00 0.00 N ATOM 528 H TRP A 39 2.472 2.247 5.027 1.00 0.00 H ATOM 529 CA TRP A 39 3.029 1.163 3.189 1.00 0.00 C ATOM 530 HA TRP A 39 2.997 1.603 2.192 1.00 0.00 H ATOM 531 C TRP A 39 2.632 -0.309 3.048 1.00 0.00 C ATOM 532 O TRP A 39 1.522 -0.695 3.358 1.00 0.00 O ATOM 533 CB TRP A 39 4.423 1.281 3.819 1.00 0.00 C ATOM 534 HB1 TRP A 39 4.459 0.684 4.730 1.00 0.00 H ATOM 535 HB2 TRP A 39 5.170 0.914 3.115 1.00 0.00 H ATOM 536 CG TRP A 39 4.716 2.713 4.152 1.00 0.00 C ATOM 537 CD1 TRP A 39 5.103 3.162 5.368 1.00 0.00 C ATOM 538 HD1 TRP A 39 5.251 2.545 6.254 1.00 0.00 H ATOM 539 CD2 TRP A 39 4.652 3.882 3.284 1.00 0.00 C ATOM 540 NE1 TRP A 39 5.280 4.533 5.302 1.00 0.00 N ATOM 541 HE1 TRP A 39 5.577 5.122 6.106 1.00 0.00 H ATOM 542 CE2 TRP A 39 5.015 5.023 4.040 1.00 0.00 C ATOM 543 CE3 TRP A 39 4.319 4.063 1.930 1.00 0.00 C ATOM 544 HE3 TRP A 39 4.036 3.203 1.322 1.00 0.00 H ATOM 545 CZ2 TRP A 39 5.044 6.298 3.472 1.00 0.00 C ATOM 546 HZ2 TRP A 39 5.325 7.161 4.075 1.00 0.00 H ATOM 547 CZ3 TRP A 39 4.349 5.345 1.355 1.00 0.00 C ATOM 548 HZ3 TRP A 39 4.090 5.474 0.304 1.00 0.00 H ATOM 549 CH2 TRP A 39 4.710 6.459 2.125 1.00 0.00 C ATOM 550 HH2 TRP A 39 4.730 7.451 1.673 1.00 0.00 H ATOM 551 N GLN A 40 3.529 -1.133 2.580 1.00 0.00 N ATOM 552 H GLN A 40 4.472 -0.781 2.319 1.00 0.00 H ATOM 553 CA GLN A 40 3.202 -2.579 2.419 1.00 0.00 C ATOM 554 HA GLN A 40 2.437 -2.747 1.661 1.00 0.00 H ATOM 555 C GLN A 40 2.660 -3.149 3.732 1.00 0.00 C ATOM 556 O GLN A 40 3.086 -2.772 4.805 1.00 0.00 O ATOM 557 CB GLN A 40 4.527 -3.247 2.050 1.00 0.00 C ATOM 558 HB1 GLN A 40 5.353 -2.669 2.464 1.00 0.00 H ATOM 559 HB2 GLN A 40 4.551 -4.257 2.458 1.00 0.00 H ATOM 560 CG GLN A 40 4.661 -3.309 0.528 1.00 0.00 C ATOM 561 HG1 GLN A 40 5.204 -4.211 0.248 1.00 0.00 H ATOM 562 HG2 GLN A 40 3.669 -3.328 0.076 1.00 0.00 H ATOM 563 CD GLN A 40 5.424 -2.079 0.031 1.00 0.00 C ATOM 564 OE1 GLN A 40 5.134 -0.969 0.432 1.00 0.00 O ATOM 565 NE2 GLN A 40 6.393 -2.230 -0.829 1.00 0.00 N ATOM 566 1HE2 GLN A 40 6.918 -1.400 -1.172 1.00 0.00 H ATOM 567 2HE2 GLN A 40 6.641 -3.180 -1.172 1.00 0.00 H ATOM 568 N ASP A 41 1.724 -4.057 3.655 1.00 0.00 N ATOM 569 H ASP A 41 1.374 -4.365 2.725 1.00 0.00 H ATOM 570 CA ASP A 41 1.156 -4.654 4.901 1.00 0.00 C ATOM 571 HA ASP A 41 1.923 -5.136 5.508 1.00 0.00 H ATOM 572 C ASP A 41 0.122 -5.734 4.552 1.00 0.00 C ATOM 573 O ASP A 41 0.283 -6.879 4.925 1.00 0.00 O ATOM 574 CB ASP A 41 0.496 -3.492 5.648 1.00 0.00 C ATOM 575 HB1 ASP A 41 0.382 -2.644 4.973 1.00 0.00 H ATOM 576 HB2 ASP A 41 -0.485 -3.802 6.008 1.00 0.00 H ATOM 577 CG ASP A 41 1.370 -3.085 6.835 1.00 0.00 C ATOM 578 OD1 ASP A 41 1.520 -3.891 7.739 1.00 0.00 O ATOM 579 OD2 ASP A 41 1.878 -1.975 6.821 1.00 0.00 O ATOM 580 N PRO A 42 -0.915 -5.342 3.846 1.00 0.00 N ATOM 581 CA PRO A 42 -1.969 -6.313 3.458 1.00 0.00 C ATOM 582 HA PRO A 42 -2.288 -6.951 4.282 1.00 0.00 H ATOM 583 C PRO A 42 -1.452 -7.252 2.365 1.00 0.00 C ATOM 584 O PRO A 42 -1.640 -8.451 2.424 1.00 0.00 O ATOM 585 CB PRO A 42 -3.095 -5.431 2.929 1.00 0.00 C ATOM 586 HB1 PRO A 42 -3.602 -5.915 2.094 1.00 0.00 H ATOM 587 HB2 PRO A 42 -3.818 -5.218 3.717 1.00 0.00 H ATOM 588 CG PRO A 42 -2.422 -4.173 2.478 1.00 0.00 C ATOM 589 HG1 PRO A 42 -2.126 -4.261 1.433 1.00 0.00 H ATOM 590 HG2 PRO A 42 -3.097 -3.325 2.593 1.00 0.00 H ATOM 591 CD PRO A 42 -1.206 -3.988 3.347 1.00 0.00 C ATOM 592 HD1 PRO A 42 -1.419 -3.308 4.172 1.00 0.00 H ATOM 593 HD2 PRO A 42 -0.369 -3.601 2.766 1.00 0.00 H ATOM 594 N ARG A 43 -0.805 -6.716 1.366 1.00 0.00 N ATOM 595 H ARG A 43 -0.657 -5.687 1.334 1.00 0.00 H ATOM 596 CA ARG A 43 -0.278 -7.580 0.271 1.00 0.00 C ATOM 597 HA ARG A 43 -1.068 -8.139 -0.230 1.00 0.00 H ATOM 598 C ARG A 43 0.706 -8.609 0.834 1.00 0.00 C ATOM 599 O ARG A 43 0.441 -9.795 0.842 1.00 0.00 O ATOM 600 CB ARG A 43 0.438 -6.619 -0.680 1.00 0.00 C ATOM 601 HB1 ARG A 43 0.912 -5.824 -0.105 1.00 0.00 H ATOM 602 HB2 ARG A 43 1.198 -7.162 -1.242 1.00 0.00 H ATOM 603 CG ARG A 43 -0.577 -6.012 -1.650 1.00 0.00 C ATOM 604 HG1 ARG A 43 -1.402 -5.576 -1.087 1.00 0.00 H ATOM 605 HG2 ARG A 43 -0.093 -5.236 -2.244 1.00 0.00 H ATOM 606 CD ARG A 43 -1.114 -7.104 -2.578 1.00 0.00 C ATOM 607 HD1 ARG A 43 -2.188 -7.232 -2.440 1.00 0.00 H ATOM 608 HD2 ARG A 43 -0.609 -8.051 -2.389 1.00 0.00 H ATOM 609 NE ARG A 43 -0.816 -6.615 -3.957 1.00 0.00 N ATOM 610 HE ARG A 43 -0.598 -5.609 -4.109 1.00 0.00 H ATOM 611 CZ ARG A 43 -0.825 -7.438 -4.980 1.00 0.00 C ATOM 612 NH1 ARG A 43 -1.094 -8.710 -4.822 1.00 0.00 N ATOM 613 1HH1 ARG A 43 -1.305 -9.083 -3.874 1.00 0.00 H ATOM 614 2HH1 ARG A 43 -1.097 -9.347 -5.644 1.00 0.00 H ATOM 615 NH2 ARG A 43 -0.561 -6.980 -6.173 1.00 0.00 N ATOM 616 1HH2 ARG A 43 -0.346 -5.971 -6.307 1.00 0.00 H ATOM 617 2HH2 ARG A 43 -0.566 -7.624 -6.990 1.00 0.00 H ATOM 618 N LYS A 44 1.840 -8.165 1.305 1.00 0.00 N ATOM 619 H LYS A 44 2.047 -7.146 1.287 1.00 0.00 H ATOM 620 CA LYS A 44 2.839 -9.118 1.868 1.00 0.00 C ATOM 621 HA LYS A 44 2.846 -10.070 1.338 1.00 0.00 H ATOM 622 C LYS A 44 2.510 -9.426 3.331 1.00 0.00 C ATOM 623 O LYS A 44 1.592 -8.814 3.853 1.00 0.00 O ATOM 624 CB LYS A 44 4.180 -8.394 1.760 1.00 0.00 C ATOM 625 HB1 LYS A 44 4.971 -9.034 2.151 1.00 0.00 H ATOM 626 HB2 LYS A 44 4.385 -8.162 0.715 1.00 0.00 H ATOM 627 CG LYS A 44 4.127 -7.097 2.569 1.00 0.00 C ATOM 628 HG1 LYS A 44 4.133 -6.244 1.890 1.00 0.00 H ATOM 629 HG2 LYS A 44 3.216 -7.078 3.166 1.00 0.00 H ATOM 630 CD LYS A 44 5.345 -7.022 3.493 1.00 0.00 C ATOM 631 HD1 LYS A 44 6.103 -7.728 3.153 1.00 0.00 H ATOM 632 HD2 LYS A 44 5.755 -6.012 3.473 1.00 0.00 H ATOM 633 CE LYS A 44 4.925 -7.373 4.921 1.00 0.00 C ATOM 634 HE1 LYS A 44 3.849 -7.250 5.046 1.00 0.00 H ATOM 635 HE2 LYS A 44 5.448 -6.743 5.641 1.00 0.00 H ATOM 636 NZ LYS A 44 5.313 -8.801 5.094 1.00 0.00 N ATOM 637 HZ1 LYS A 44 4.813 -9.382 4.391 1.00 0.00 H ATOM 638 HZ2 LYS A 44 6.340 -8.899 4.959 1.00 0.00 H ATOM 639 HZ3 LYS A 44 5.056 -9.115 6.052 1.00 0.00 H ATOM 640 OXT LYS A 44 3.182 -10.267 3.904 1.00 0.00 O TER END