Browse entries in the PDBbind-CN Database
HEADER 5LDO_COMPLEX COMPND 5LDO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 174 GLU PRO GLN ARG LEU PHE PHE ALA ILE ASP LEU PRO ALA SEQRES 2 A 174 GLU ILE ARG GLU GLN ILE ILE HIS TRP ARG ALA LYS HIS SEQRES 3 A 174 PHE PRO PRO GLU ALA GLY ARG PRO VAL ALA ALA ASP ASN SEQRES 4 A 174 LEU HIS LEU THR LEU ALA PHE LEU GLY GLU VAL SER ALA SEQRES 5 A 174 GLU LYS GLU LYS ALA LEU SER LEU LEU ALA GLY ARG ILE SEQRES 6 A 174 ARG GLN PRO GLY PHE THR LEU THR LEU ASP ASP ALA GLY SEQRES 7 A 174 GLN TRP LEU ARG SER ARG VAL VAL TRP LEU GLY MET ARG SEQRES 8 A 174 GLN PRO PRO ARG GLY LEU ILE GLN LEU ALA ASN MET LEU SEQRES 9 A 174 ARG SER GLN ALA ALA ARG SER GLY CYS PHE GLN SER ASN SEQRES 10 A 174 ARG PRO PHE HIS PRO HIS ILE THR LEU LEU ARG ASP ALA SEQRES 11 A 174 SER GLU ALA VAL THR ILE PRO PRO PRO GLY PHE ASN TRP SEQRES 12 A 174 SER TYR ALA VAL THR GLU PHE THR LEU TYR ALA SER SER SEQRES 13 A 174 PHE ALA ARG GLY ARG THR ARG TYR THR PRO LEU LYS ARG SEQRES 14 A 174 TRP ALA LEU THR GLN HET UNN A 178 35 ATOM 1 N GLU A 3 92.575 -13.809 -23.479 1.00 71.03 N ATOM 2 CA GLU A 3 91.180 -13.574 -23.129 1.00 76.32 C ATOM 3 C GLU A 3 91.078 -13.089 -21.685 1.00 77.28 C ATOM 4 O GLU A 3 91.846 -13.529 -20.830 1.00 79.73 O ATOM 5 CB GLU A 3 90.364 -14.857 -23.311 1.00 76.20 C ATOM 6 CG GLU A 3 90.115 -15.257 -24.759 1.00 89.33 C ATOM 7 CD GLU A 3 89.277 -14.247 -25.516 1.00 98.70 C ATOM 8 OE1 GLU A 3 88.310 -13.717 -24.929 1.00 91.67 O ATOM 9 OE2 GLU A 3 89.579 -13.992 -26.701 1.00105.97 O ATOM 10 HN3 GLU A 3 92.973 -14.532 -22.846 1.00 0.00 H ATOM 11 HN2 GLU A 3 93.111 -12.924 -23.376 1.00 0.00 H ATOM 12 HN1 GLU A 3 92.633 -14.139 -24.464 1.00 0.00 H ATOM 13 N PRO A 4 90.136 -12.174 -21.408 1.00 71.23 N ATOM 14 CA PRO A 4 89.988 -11.670 -20.037 1.00 64.31 C ATOM 15 C PRO A 4 89.482 -12.733 -19.059 1.00 64.95 C ATOM 16 O PRO A 4 88.402 -13.294 -19.247 1.00 62.91 O ATOM 17 CB PRO A 4 88.966 -10.537 -20.193 1.00 62.07 C ATOM 18 CG PRO A 4 89.115 -10.100 -21.614 1.00 69.21 C ATOM 19 CD PRO A 4 89.360 -11.374 -22.370 1.00 71.72 C ATOM 20 N GLN A 5 90.278 -12.998 -18.028 1.00 59.06 N ATOM 21 CA GLN A 5 89.935 -13.934 -16.957 1.00 50.51 C ATOM 22 C GLN A 5 89.636 -13.223 -15.639 1.00 47.73 C ATOM 23 O GLN A 5 90.377 -12.328 -15.234 1.00 53.15 O ATOM 24 CB GLN A 5 91.057 -14.958 -16.756 1.00 51.86 C ATOM 25 CG GLN A 5 91.269 -15.895 -17.933 1.00 52.21 C ATOM 26 CD GLN A 5 92.187 -17.054 -17.593 1.00 51.10 C ATOM 27 OE1 GLN A 5 93.326 -16.854 -17.168 1.00 49.66 O ATOM 28 NE2 GLN A 5 91.692 -18.274 -17.770 1.00 43.97 N ATOM 29 HE22 GLN A 5 90.724 -18.395 -18.131 1.00 0.00 H ATOM 30 HE21 GLN A 5 92.272 -19.108 -17.547 1.00 0.00 H ATOM 31 H GLN A 5 91.197 -12.513 -17.980 1.00 0.00 H ATOM 32 N ARG A 6 88.551 -13.608 -14.973 1.00 39.55 N ATOM 33 CA ARG A 6 88.280 -13.079 -13.641 1.00 41.97 C ATOM 34 C ARG A 6 89.211 -13.732 -12.616 1.00 38.55 C ATOM 35 O ARG A 6 89.097 -14.923 -12.323 1.00 40.31 O ATOM 36 CB ARG A 6 86.815 -13.311 -13.264 1.00 32.54 C ATOM 37 CG ARG A 6 86.402 -12.686 -11.945 1.00 42.03 C ATOM 38 CD ARG A 6 84.895 -12.739 -11.767 1.00 57.08 C ATOM 39 NE ARG A 6 84.232 -12.034 -12.858 1.00 65.40 N ATOM 40 CZ ARG A 6 84.013 -10.723 -12.875 1.00 64.23 C ATOM 41 NH1 ARG A 6 84.421 -9.967 -11.865 1.00 63.89 N ATOM 42 NH2 ARG A 6 83.400 -10.164 -13.911 1.00 65.05 N ATOM 43 HE ARG A 6 83.910 -12.592 -13.674 1.00 0.00 H ATOM 44 HH12 ARG A 6 84.249 -8.941 -11.880 1.00 0.00 H ATOM 45 HH11 ARG A 6 84.913 -10.400 -11.057 1.00 0.00 H ATOM 46 HH22 ARG A 6 83.229 -9.138 -13.923 1.00 0.00 H ATOM 47 HH21 ARG A 6 83.090 -10.752 -14.711 1.00 0.00 H ATOM 48 H ARG A 6 87.893 -14.289 -15.404 1.00 0.00 H ATOM 49 N LEU A 7 90.132 -12.935 -12.077 1.00 32.35 N ATOM 50 CA LEU A 7 91.211 -13.445 -11.231 1.00 40.99 C ATOM 51 C LEU A 7 91.166 -12.932 -9.791 1.00 36.79 C ATOM 52 O LEU A 7 90.533 -11.913 -9.504 1.00 34.64 O ATOM 53 CB LEU A 7 92.572 -13.098 -11.846 1.00 33.30 C ATOM 54 CG LEU A 7 92.804 -13.509 -13.301 1.00 28.08 C ATOM 55 CD1 LEU A 7 94.234 -13.213 -13.727 1.00 36.65 C ATOM 56 CD2 LEU A 7 92.498 -14.980 -13.485 1.00 27.39 C ATOM 57 H LEU A 7 90.082 -11.913 -12.264 1.00 0.00 H ATOM 58 N PHE A 8 91.847 -13.648 -8.895 1.00 31.18 N ATOM 59 CA PHE A 8 92.046 -13.195 -7.516 1.00 36.51 C ATOM 60 C PHE A 8 93.201 -13.946 -6.847 1.00 34.65 C ATOM 61 O PHE A 8 93.510 -15.080 -7.217 1.00 26.62 O ATOM 62 CB PHE A 8 90.761 -13.362 -6.695 1.00 35.79 C ATOM 63 CG PHE A 8 90.338 -14.791 -6.496 1.00 34.13 C ATOM 64 CD1 PHE A 8 90.697 -15.479 -5.345 1.00 21.09 C ATOM 65 CD2 PHE A 8 89.564 -15.440 -7.446 1.00 32.06 C ATOM 66 CE1 PHE A 8 90.304 -16.790 -5.154 1.00 30.64 C ATOM 67 CE2 PHE A 8 89.170 -16.754 -7.260 1.00 30.38 C ATOM 68 CZ PHE A 8 89.540 -17.427 -6.111 1.00 34.09 C ATOM 69 H PHE A 8 92.251 -14.561 -9.186 1.00 0.00 H ATOM 70 N PHE A 9 93.837 -13.308 -5.868 1.00 28.98 N ATOM 71 CA PHE A 9 94.885 -13.953 -5.077 1.00 31.43 C ATOM 72 C PHE A 9 94.291 -14.575 -3.820 1.00 34.81 C ATOM 73 O PHE A 9 93.427 -13.972 -3.178 1.00 35.51 O ATOM 74 CB PHE A 9 95.975 -12.950 -4.689 1.00 36.03 C ATOM 75 CG PHE A 9 96.820 -12.484 -5.839 1.00 39.08 C ATOM 76 CD1 PHE A 9 97.804 -13.303 -6.374 1.00 42.30 C ATOM 77 CD2 PHE A 9 96.643 -11.218 -6.375 1.00 37.02 C ATOM 78 CE1 PHE A 9 98.590 -12.867 -7.429 1.00 44.29 C ATOM 79 CE2 PHE A 9 97.424 -10.780 -7.428 1.00 48.87 C ATOM 80 CZ PHE A 9 98.397 -11.604 -7.955 1.00 46.11 C ATOM 81 H PHE A 9 93.582 -12.322 -5.659 1.00 0.00 H ATOM 82 N ALA A 10 94.749 -15.770 -3.459 1.00 27.41 N ATOM 83 CA ALA A 10 94.183 -16.456 -2.302 1.00 27.28 C ATOM 84 C ALA A 10 95.198 -17.310 -1.544 1.00 28.01 C ATOM 85 O ALA A 10 96.238 -17.695 -2.084 1.00 30.48 O ATOM 86 CB ALA A 10 93.005 -17.319 -2.739 1.00 23.03 C ATOM 87 H ALA A 10 95.514 -16.218 -4.003 1.00 0.00 H ATOM 88 N ILE A 11 94.881 -17.592 -0.284 1.00 26.59 N ATOM 89 CA ILE A 11 95.615 -18.557 0.525 1.00 23.05 C ATOM 90 C ILE A 11 94.752 -19.799 0.707 1.00 27.21 C ATOM 91 O ILE A 11 93.563 -19.686 1.017 1.00 34.96 O ATOM 92 CB ILE A 11 95.996 -17.973 1.901 1.00 27.92 C ATOM 93 CG1 ILE A 11 97.123 -16.948 1.748 1.00 28.43 C ATOM 94 CG2 ILE A 11 96.426 -19.072 2.860 1.00 34.77 C ATOM 95 CD1 ILE A 11 97.585 -16.360 3.060 1.00 27.30 C ATOM 96 H ILE A 11 94.071 -17.101 0.145 1.00 0.00 H ATOM 97 N ASP A 12 95.334 -20.979 0.512 1.00 20.30 N ATOM 98 CA ASP A 12 94.562 -22.214 0.600 1.00 24.99 C ATOM 99 C ASP A 12 94.703 -22.914 1.946 1.00 32.65 C ATOM 100 O ASP A 12 95.557 -22.564 2.764 1.00 38.24 O ATOM 101 CB ASP A 12 94.961 -23.172 -0.522 1.00 25.56 C ATOM 102 CG ASP A 12 94.392 -22.764 -1.865 1.00 29.45 C ATOM 103 OD1 ASP A 12 93.151 -22.760 -2.005 1.00 29.25 O ATOM 104 OD2 ASP A 12 95.182 -22.448 -2.779 1.00 36.42 O ATOM 105 H ASP A 12 96.350 -21.022 0.294 1.00 0.00 H ATOM 106 N LEU A 13 93.847 -23.908 2.156 1.00 32.43 N ATOM 107 CA LEU A 13 93.799 -24.675 3.394 1.00 27.38 C ATOM 108 C LEU A 13 94.202 -26.126 3.145 1.00 24.51 C ATOM 109 O LEU A 13 93.892 -26.683 2.092 1.00 34.02 O ATOM 110 CB LEU A 13 92.397 -24.609 4.012 1.00 24.73 C ATOM 111 CG LEU A 13 91.914 -23.297 4.647 1.00 29.33 C ATOM 112 CD1 LEU A 13 91.685 -22.190 3.624 1.00 29.10 C ATOM 113 CD2 LEU A 13 90.649 -23.543 5.443 1.00 31.03 C ATOM 114 H LEU A 13 93.177 -24.151 1.398 1.00 0.00 H ATOM 115 N PRO A 14 94.911 -26.738 4.105 1.00 22.37 N ATOM 116 CA PRO A 14 95.255 -28.163 4.022 1.00 18.31 C ATOM 117 C PRO A 14 94.012 -29.045 3.943 1.00 26.75 C ATOM 118 O PRO A 14 92.968 -28.674 4.481 1.00 30.20 O ATOM 119 CB PRO A 14 96.025 -28.417 5.325 1.00 18.35 C ATOM 120 CG PRO A 14 96.547 -27.079 5.721 1.00 23.36 C ATOM 121 CD PRO A 14 95.489 -26.102 5.300 1.00 31.48 C ATOM 122 N ALA A 15 94.125 -30.185 3.268 1.00 26.22 N ATOM 123 CA ALA A 15 92.977 -31.053 3.016 1.00 23.99 C ATOM 124 C ALA A 15 92.259 -31.474 4.297 1.00 29.45 C ATOM 125 O ALA A 15 91.027 -31.510 4.339 1.00 28.89 O ATOM 126 CB ALA A 15 93.414 -32.275 2.233 1.00 15.11 C ATOM 127 H ALA A 15 95.059 -30.467 2.908 1.00 0.00 H ATOM 128 N GLU A 16 93.030 -31.793 5.332 1.00 32.44 N ATOM 129 CA GLU A 16 92.468 -32.273 6.589 1.00 34.31 C ATOM 130 C GLU A 16 91.586 -31.227 7.257 1.00 37.45 C ATOM 131 O GLU A 16 90.498 -31.540 7.740 1.00 39.34 O ATOM 132 CB GLU A 16 93.582 -32.682 7.555 1.00 23.32 C ATOM 133 CG GLU A 16 93.067 -33.291 8.851 1.00 43.90 C ATOM 134 CD GLU A 16 94.126 -33.353 9.936 1.00 65.85 C ATOM 135 OE1 GLU A 16 94.470 -32.287 10.492 1.00 62.02 O ATOM 136 OE2 GLU A 16 94.607 -34.466 10.238 1.00 71.79 O ATOM 137 H GLU A 16 94.062 -31.698 5.243 1.00 0.00 H ATOM 138 N ILE A 17 92.063 -29.986 7.287 1.00 31.91 N ATOM 139 CA ILE A 17 91.316 -28.899 7.909 1.00 29.45 C ATOM 140 C ILE A 17 90.042 -28.582 7.128 1.00 27.35 C ATOM 141 O ILE A 17 88.991 -28.349 7.725 1.00 26.87 O ATOM 142 CB ILE A 17 92.183 -27.627 8.036 1.00 25.24 C ATOM 143 CG1 ILE A 17 93.377 -27.895 8.956 1.00 24.80 C ATOM 144 CG2 ILE A 17 91.365 -26.454 8.556 1.00 18.51 C ATOM 145 CD1 ILE A 17 94.192 -26.664 9.283 1.00 23.35 C ATOM 146 H ILE A 17 92.989 -29.786 6.858 1.00 0.00 H ATOM 147 N ARG A 18 90.129 -28.601 5.799 1.00 29.06 N ATOM 148 CA ARG A 18 88.953 -28.388 4.956 1.00 26.28 C ATOM 149 C ARG A 18 87.892 -29.442 5.240 1.00 30.50 C ATOM 150 O ARG A 18 86.698 -29.144 5.269 1.00 34.83 O ATOM 151 CB ARG A 18 89.322 -28.413 3.470 1.00 25.94 C ATOM 152 CG ARG A 18 90.344 -27.365 3.054 1.00 33.14 C ATOM 153 CD ARG A 18 90.311 -27.129 1.548 1.00 26.95 C ATOM 154 NE ARG A 18 90.499 -28.366 0.793 1.00 35.19 N ATOM 155 CZ ARG A 18 91.668 -28.793 0.323 1.00 36.36 C ATOM 156 NH1 ARG A 18 92.770 -28.084 0.528 1.00 34.71 N ATOM 157 NH2 ARG A 18 91.734 -29.930 -0.356 1.00 35.27 N ATOM 158 HE ARG A 18 89.660 -28.953 0.610 1.00 0.00 H ATOM 159 HH12 ARG A 18 93.682 -28.422 0.159 1.00 0.00 H ATOM 160 HH11 ARG A 18 92.722 -27.190 1.058 1.00 0.00 H ATOM 161 HH22 ARG A 18 92.648 -30.264 -0.723 1.00 0.00 H ATOM 162 HH21 ARG A 18 90.872 -30.488 -0.521 1.00 0.00 H ATOM 163 H ARG A 18 91.052 -28.771 5.352 1.00 0.00 H ATOM 164 N GLU A 19 88.338 -30.674 5.460 1.00 26.78 N ATOM 165 CA GLU A 19 87.433 -31.777 5.744 1.00 31.23 C ATOM 166 C GLU A 19 86.767 -31.583 7.102 1.00 43.28 C ATOM 167 O GLU A 19 85.582 -31.876 7.269 1.00 39.06 O ATOM 168 CB GLU A 19 88.193 -33.103 5.702 1.00 36.79 C ATOM 169 CG GLU A 19 87.320 -34.339 5.578 1.00 55.22 C ATOM 170 CD GLU A 19 88.132 -35.622 5.509 1.00 79.07 C ATOM 171 OE1 GLU A 19 87.548 -36.681 5.196 1.00 80.16 O ATOM 172 OE2 GLU A 19 89.352 -35.574 5.775 1.00 85.28 O ATOM 173 H GLU A 19 89.362 -30.855 5.428 1.00 0.00 H ATOM 174 N GLN A 20 87.528 -31.067 8.063 1.00 34.84 N ATOM 175 CA GLN A 20 87.000 -30.796 9.395 1.00 24.49 C ATOM 176 C GLN A 20 85.976 -29.669 9.358 1.00 28.19 C ATOM 177 O GLN A 20 85.014 -29.667 10.128 1.00 30.15 O ATOM 178 CB GLN A 20 88.128 -30.425 10.361 1.00 33.55 C ATOM 179 CG GLN A 20 89.136 -31.527 10.643 1.00 37.93 C ATOM 180 CD GLN A 20 90.039 -31.183 11.813 1.00 39.65 C ATOM 181 OE1 GLN A 20 89.717 -30.316 12.627 1.00 47.53 O ATOM 182 NE2 GLN A 20 91.184 -31.850 11.894 1.00 44.90 N ATOM 183 HE22 GLN A 20 91.415 -32.574 11.184 1.00 0.00 H ATOM 184 HE21 GLN A 20 91.850 -31.648 12.667 1.00 0.00 H ATOM 185 H GLN A 20 88.525 -30.851 7.859 1.00 0.00 H ATOM 186 N ILE A 21 86.191 -28.717 8.455 1.00 25.90 N ATOM 187 CA ILE A 21 85.337 -27.540 8.359 1.00 26.67 C ATOM 188 C ILE A 21 83.959 -27.861 7.783 1.00 26.33 C ATOM 189 O ILE A 21 82.943 -27.421 8.325 1.00 24.22 O ATOM 190 CB ILE A 21 86.016 -26.437 7.515 1.00 19.29 C ATOM 191 CG1 ILE A 21 87.205 -25.854 8.280 1.00 21.16 C ATOM 192 CG2 ILE A 21 85.041 -25.324 7.186 1.00 17.41 C ATOM 193 CD1 ILE A 21 88.047 -24.899 7.479 1.00 14.42 C ATOM 194 H ILE A 21 86.992 -28.815 7.798 1.00 0.00 H ATOM 195 N ILE A 22 83.916 -28.628 6.696 1.00 20.90 N ATOM 196 CA ILE A 22 82.637 -28.960 6.072 1.00 27.20 C ATOM 197 C ILE A 22 81.806 -29.872 6.971 1.00 23.49 C ATOM 198 O ILE A 22 80.576 -29.854 6.916 1.00 27.82 O ATOM 199 CB ILE A 22 82.817 -29.638 4.690 1.00 22.81 C ATOM 200 CG1 ILE A 22 83.543 -30.980 4.820 1.00 29.76 C ATOM 201 CG2 ILE A 22 83.541 -28.699 3.728 1.00 18.57 C ATOM 202 CD1 ILE A 22 83.591 -31.770 3.527 1.00 32.77 C ATOM 203 H ILE A 22 84.800 -28.994 6.288 1.00 0.00 H ATOM 204 N HIS A 23 82.479 -30.655 7.809 1.00 27.65 N ATOM 205 CA HIS A 23 81.794 -31.510 8.772 1.00 32.58 C ATOM 206 C HIS A 23 81.204 -30.656 9.886 1.00 30.80 C ATOM 207 O HIS A 23 80.050 -30.838 10.281 1.00 24.82 O ATOM 208 CB HIS A 23 82.752 -32.554 9.351 1.00 30.67 C ATOM 209 CG HIS A 23 83.086 -33.661 8.401 1.00 46.59 C ATOM 210 ND1 HIS A 23 84.119 -33.578 7.490 1.00 50.39 N ATOM 211 CD2 HIS A 23 82.525 -34.881 8.220 1.00 51.90 C ATOM 212 CE1 HIS A 23 84.180 -34.697 6.793 1.00 52.37 C ATOM 213 NE2 HIS A 23 83.224 -35.505 7.215 1.00 60.55 N ATOM 214 H HIS A 23 83.519 -30.658 7.777 1.00 0.00 H ATOM 215 N TRP A 24 82.011 -29.729 10.392 1.00 21.50 N ATOM 216 CA TRP A 24 81.572 -28.795 11.420 1.00 21.74 C ATOM 217 C TRP A 24 80.411 -27.946 10.910 1.00 25.41 C ATOM 218 O TRP A 24 79.481 -27.643 11.655 1.00 32.19 O ATOM 219 CB TRP A 24 82.745 -27.911 11.855 1.00 23.89 C ATOM 220 CG TRP A 24 82.387 -26.777 12.768 1.00 18.64 C ATOM 221 CD1 TRP A 24 82.308 -26.815 14.130 1.00 23.16 C ATOM 222 CD2 TRP A 24 82.085 -25.429 12.387 1.00 19.39 C ATOM 223 NE1 TRP A 24 81.967 -25.578 14.619 1.00 26.77 N ATOM 224 CE2 TRP A 24 81.824 -24.708 13.569 1.00 26.62 C ATOM 225 CE3 TRP A 24 82.006 -24.762 11.162 1.00 24.62 C ATOM 226 CZ2 TRP A 24 81.487 -23.355 13.562 1.00 26.57 C ATOM 227 CZ3 TRP A 24 81.674 -23.421 11.156 1.00 24.86 C ATOM 228 CH2 TRP A 24 81.418 -22.731 12.346 1.00 18.55 C ATOM 229 HE1 TRP A 24 81.838 -25.340 15.623 1.00 0.00 H ATOM 230 H TRP A 24 82.989 -29.668 10.042 1.00 0.00 H ATOM 231 N ARG A 25 80.469 -27.581 9.632 1.00 27.65 N ATOM 232 CA ARG A 25 79.448 -26.738 9.015 1.00 27.17 C ATOM 233 C ARG A 25 78.130 -27.479 8.835 1.00 29.28 C ATOM 234 O ARG A 25 77.060 -26.930 9.094 1.00 23.53 O ATOM 235 CB ARG A 25 79.944 -26.210 7.665 1.00 19.37 C ATOM 236 CG ARG A 25 79.005 -25.224 6.981 1.00 28.52 C ATOM 237 CD ARG A 25 79.522 -24.834 5.602 1.00 22.29 C ATOM 238 NE ARG A 25 79.670 -25.992 4.723 1.00 24.11 N ATOM 239 CZ ARG A 25 80.302 -25.969 3.553 1.00 27.37 C ATOM 240 NH1 ARG A 25 80.387 -27.071 2.822 1.00 28.11 N ATOM 241 NH2 ARG A 25 80.854 -24.845 3.118 1.00 22.38 N ATOM 242 HE ARG A 25 79.254 -26.893 5.033 1.00 0.00 H ATOM 243 HH12 ARG A 25 80.882 -27.051 1.907 1.00 0.00 H ATOM 244 HH11 ARG A 25 79.959 -27.955 3.163 1.00 0.00 H ATOM 245 HH22 ARG A 25 81.348 -24.828 2.203 1.00 0.00 H ATOM 246 HH21 ARG A 25 80.793 -23.980 3.692 1.00 0.00 H ATOM 247 H ARG A 25 81.269 -27.907 9.052 1.00 0.00 H ATOM 248 N ALA A 26 78.212 -28.727 8.387 1.00 28.07 N ATOM 249 CA ALA A 26 77.017 -29.524 8.156 1.00 24.60 C ATOM 250 C ALA A 26 76.324 -29.856 9.471 1.00 32.48 C ATOM 251 O ALA A 26 75.118 -30.099 9.507 1.00 42.22 O ATOM 252 CB ALA A 26 77.368 -30.792 7.407 1.00 13.18 C ATOM 253 H ALA A 26 79.147 -29.142 8.198 1.00 0.00 H ATOM 254 N LYS A 27 77.099 -29.861 10.549 1.00 21.64 N ATOM 255 CA LYS A 27 76.593 -30.212 11.868 1.00 25.56 C ATOM 256 C LYS A 27 75.824 -29.051 12.497 1.00 38.98 C ATOM 257 O LYS A 27 74.830 -29.261 13.194 1.00 40.16 O ATOM 258 CB LYS A 27 77.755 -30.642 12.772 1.00 37.23 C ATOM 259 CG LYS A 27 77.341 -31.342 14.057 1.00 38.67 C ATOM 260 CD LYS A 27 78.433 -32.295 14.533 1.00 39.76 C ATOM 261 CE LYS A 27 79.265 -31.701 15.658 1.00 53.82 C ATOM 262 NZ LYS A 27 78.558 -31.764 16.966 1.00 42.74 N ATOM 263 HZ1 LYS A 27 77.667 -31.231 16.903 1.00 0.00 H ATOM 264 HZ2 LYS A 27 78.354 -32.756 17.201 1.00 0.00 H ATOM 265 HZ3 LYS A 27 79.161 -31.349 17.705 1.00 0.00 H ATOM 266 H LYS A 27 78.102 -29.605 10.448 1.00 0.00 H ATOM 267 N HIS A 28 76.284 -27.828 12.247 1.00 29.84 N ATOM 268 CA HIS A 28 75.737 -26.660 12.932 1.00 32.83 C ATOM 269 C HIS A 28 74.847 -25.794 12.036 1.00 32.25 C ATOM 270 O HIS A 28 74.098 -24.950 12.530 1.00 24.80 O ATOM 271 CB HIS A 28 76.872 -25.805 13.497 1.00 37.41 C ATOM 272 CG HIS A 28 77.680 -26.492 14.554 1.00 35.68 C ATOM 273 ND1 HIS A 28 78.817 -27.218 14.267 1.00 35.43 N ATOM 274 CD2 HIS A 28 77.517 -26.567 15.897 1.00 34.52 C ATOM 275 CE1 HIS A 28 79.321 -27.705 15.387 1.00 36.05 C ATOM 276 NE2 HIS A 28 78.551 -27.326 16.390 1.00 48.25 N ATOM 277 H HIS A 28 77.047 -27.701 11.551 1.00 0.00 H ATOM 278 N PHE A 29 74.934 -25.991 10.725 1.00 34.39 N ATOM 279 CA PHE A 29 74.174 -25.165 9.792 1.00 28.23 C ATOM 280 C PHE A 29 73.286 -25.993 8.868 1.00 32.28 C ATOM 281 O PHE A 29 73.784 -26.775 8.056 1.00 36.22 O ATOM 282 CB PHE A 29 75.120 -24.300 8.954 1.00 26.31 C ATOM 283 CG PHE A 29 75.950 -23.343 9.763 1.00 30.32 C ATOM 284 CD1 PHE A 29 77.245 -23.670 10.139 1.00 32.35 C ATOM 285 CD2 PHE A 29 75.438 -22.112 10.143 1.00 28.07 C ATOM 286 CE1 PHE A 29 78.012 -22.788 10.880 1.00 28.66 C ATOM 287 CE2 PHE A 29 76.200 -21.227 10.885 1.00 28.54 C ATOM 288 CZ PHE A 29 77.488 -21.565 11.253 1.00 31.22 C ATOM 289 H PHE A 29 75.552 -26.743 10.359 1.00 0.00 H ATOM 290 N PRO A 30 71.960 -25.822 8.993 1.00 34.84 N ATOM 291 CA PRO A 30 71.005 -26.473 8.093 1.00 30.22 C ATOM 292 C PRO A 30 71.121 -25.894 6.689 1.00 29.09 C ATOM 293 O PRO A 30 71.583 -24.763 6.542 1.00 31.88 O ATOM 294 CB PRO A 30 69.641 -26.147 8.722 1.00 23.44 C ATOM 295 CG PRO A 30 69.948 -25.774 10.137 1.00 28.13 C ATOM 296 CD PRO A 30 71.280 -25.099 10.079 1.00 30.51 C ATOM 297 N PRO A 31 70.714 -26.660 5.667 1.00 26.96 N ATOM 298 CA PRO A 31 70.770 -26.235 4.263 1.00 27.16 C ATOM 299 C PRO A 31 70.090 -24.894 3.999 1.00 28.82 C ATOM 300 O PRO A 31 70.405 -24.241 3.003 1.00 32.98 O ATOM 301 CB PRO A 31 70.041 -27.366 3.535 1.00 23.36 C ATOM 302 CG PRO A 31 70.304 -28.561 4.371 1.00 26.48 C ATOM 303 CD PRO A 31 70.298 -28.067 5.792 1.00 25.82 C ATOM 304 N GLU A 32 69.183 -24.492 4.886 1.00 33.68 N ATOM 305 CA GLU A 32 68.428 -23.255 4.722 1.00 33.52 C ATOM 306 C GLU A 32 69.106 -22.063 5.390 1.00 39.83 C ATOM 307 O GLU A 32 68.508 -20.994 5.517 1.00 53.48 O ATOM 308 CB GLU A 32 67.011 -23.421 5.285 1.00 21.23 C ATOM 309 CG GLU A 32 66.217 -24.568 4.680 1.00 41.75 C ATOM 310 CD GLU A 32 66.518 -25.906 5.326 1.00 40.72 C ATOM 311 OE1 GLU A 32 66.095 -26.940 4.772 1.00 34.94 O ATOM 312 OE2 GLU A 32 67.173 -25.927 6.388 1.00 41.93 O ATOM 313 H GLU A 32 69.006 -25.080 5.725 1.00 0.00 H ATOM 314 N ALA A 33 70.351 -22.244 5.814 1.00 32.58 N ATOM 315 CA ALA A 33 71.091 -21.159 6.446 1.00 41.42 C ATOM 316 C ALA A 33 71.867 -20.393 5.386 1.00 44.68 C ATOM 317 O ALA A 33 72.232 -19.233 5.581 1.00 45.24 O ATOM 318 CB ALA A 33 72.028 -21.695 7.514 1.00 34.38 C ATOM 319 H ALA A 33 70.804 -23.172 5.694 1.00 0.00 H ATOM 320 N GLY A 34 72.110 -21.058 4.261 1.00 31.91 N ATOM 321 CA GLY A 34 72.849 -20.469 3.161 1.00 32.49 C ATOM 322 C GLY A 34 73.322 -21.531 2.188 1.00 28.82 C ATOM 323 O GLY A 34 73.153 -22.728 2.425 1.00 28.56 O ATOM 324 H GLY A 34 71.759 -22.032 4.167 1.00 0.00 H ATOM 325 N ARG A 35 73.915 -21.095 1.084 1.00 25.32 N ATOM 326 CA ARG A 35 74.428 -22.019 0.084 1.00 24.79 C ATOM 327 C ARG A 35 75.859 -22.427 0.431 1.00 35.84 C ATOM 328 O ARG A 35 76.759 -21.586 0.480 1.00 34.46 O ATOM 329 CB ARG A 35 74.368 -21.389 -1.307 1.00 26.87 C ATOM 330 CG ARG A 35 74.863 -22.300 -2.410 1.00 38.04 C ATOM 331 CD ARG A 35 74.764 -21.631 -3.762 1.00 32.55 C ATOM 332 NE ARG A 35 75.136 -22.552 -4.830 1.00 61.60 N ATOM 333 CZ ARG A 35 76.392 -22.797 -5.190 1.00 60.08 C ATOM 334 NH1 ARG A 35 77.391 -22.191 -4.562 1.00 42.02 N ATOM 335 NH2 ARG A 35 76.648 -23.648 -6.173 1.00 57.20 N ATOM 336 HE ARG A 35 74.375 -23.045 -5.339 1.00 0.00 H ATOM 337 HH12 ARG A 35 78.374 -22.382 -4.843 1.00 0.00 H ATOM 338 HH11 ARG A 35 77.191 -21.525 -3.789 1.00 0.00 H ATOM 339 HH22 ARG A 35 77.631 -23.838 -6.453 1.00 0.00 H ATOM 340 HH21 ARG A 35 75.866 -24.126 -6.664 1.00 0.00 H ATOM 341 H ARG A 35 74.015 -20.071 0.930 1.00 0.00 H ATOM 342 N PRO A 36 76.072 -23.730 0.671 1.00 35.32 N ATOM 343 CA PRO A 36 77.366 -24.244 1.136 1.00 31.04 C ATOM 344 C PRO A 36 78.476 -24.133 0.095 1.00 24.02 C ATOM 345 O PRO A 36 78.275 -24.492 -1.066 1.00 43.84 O ATOM 346 CB PRO A 36 77.063 -25.714 1.445 1.00 30.18 C ATOM 347 CG PRO A 36 75.916 -26.052 0.548 1.00 25.02 C ATOM 348 CD PRO A 36 75.082 -24.805 0.485 1.00 33.18 C ATOM 349 N VAL A 37 79.633 -23.630 0.516 1.00 24.17 N ATOM 350 CA VAL A 37 80.810 -23.577 -0.345 1.00 28.33 C ATOM 351 C VAL A 37 81.471 -24.949 -0.410 1.00 26.54 C ATOM 352 O VAL A 37 81.720 -25.572 0.624 1.00 24.77 O ATOM 353 CB VAL A 37 81.838 -22.537 0.157 1.00 26.98 C ATOM 354 CG1 VAL A 37 83.100 -22.568 -0.694 1.00 27.01 C ATOM 355 CG2 VAL A 37 81.232 -21.144 0.158 1.00 22.70 C ATOM 356 H VAL A 37 79.701 -23.264 1.487 1.00 0.00 H ATOM 357 N ALA A 38 81.750 -25.420 -1.623 1.00 27.77 N ATOM 358 CA ALA A 38 82.373 -26.727 -1.812 1.00 30.88 C ATOM 359 C ALA A 38 83.717 -26.787 -1.095 1.00 31.64 C ATOM 360 O ALA A 38 84.401 -25.772 -0.958 1.00 31.14 O ATOM 361 CB ALA A 38 82.544 -27.029 -3.291 1.00 35.80 C ATOM 362 H ALA A 38 81.519 -24.843 -2.457 1.00 0.00 H ATOM 363 N ALA A 39 84.084 -27.976 -0.630 1.00 24.90 N ATOM 364 CA ALA A 39 85.289 -28.154 0.175 1.00 27.50 C ATOM 365 C ALA A 39 86.547 -27.677 -0.549 1.00 41.15 C ATOM 366 O ALA A 39 87.443 -27.097 0.066 1.00 38.01 O ATOM 367 CB ALA A 39 85.435 -29.612 0.579 1.00 22.11 C ATOM 368 H ALA A 39 83.495 -28.805 -0.846 1.00 0.00 H ATOM 369 N ASP A 40 86.604 -27.924 -1.853 1.00 41.35 N ATOM 370 CA ASP A 40 87.769 -27.568 -2.649 1.00 36.68 C ATOM 371 C ASP A 40 87.811 -26.073 -2.970 1.00 34.35 C ATOM 372 O ASP A 40 88.801 -25.576 -3.507 1.00 37.16 O ATOM 373 CB ASP A 40 87.779 -28.379 -3.947 1.00 43.37 C ATOM 374 CG ASP A 40 87.773 -29.878 -3.701 1.00 61.76 C ATOM 375 OD1 ASP A 40 88.867 -30.467 -3.578 1.00 65.10 O ATOM 376 OD2 ASP A 40 86.673 -30.467 -3.635 1.00 71.70 O ATOM 377 H ASP A 40 85.795 -28.384 -2.317 1.00 0.00 H ATOM 378 N ASN A 41 86.737 -25.362 -2.640 1.00 38.27 N ATOM 379 CA ASN A 41 86.664 -23.927 -2.897 1.00 30.42 C ATOM 380 C ASN A 41 86.920 -23.085 -1.648 1.00 30.02 C ATOM 381 O ASN A 41 86.873 -21.855 -1.703 1.00 30.70 O ATOM 382 CB ASN A 41 85.305 -23.563 -3.500 1.00 38.30 C ATOM 383 CG ASN A 41 85.138 -24.072 -4.923 1.00 40.21 C ATOM 384 OD1 ASN A 41 86.115 -24.408 -5.596 1.00 38.00 O ATOM 385 ND2 ASN A 41 83.895 -24.126 -5.389 1.00 32.21 N ATOM 386 HD22 ASN A 41 83.100 -23.832 -4.786 1.00 0.00 H ATOM 387 HD21 ASN A 41 83.717 -24.462 -6.357 1.00 0.00 H ATOM 388 H ASN A 41 85.931 -25.839 -2.189 1.00 0.00 H ATOM 389 N LEU A 42 87.198 -23.747 -0.528 1.00 31.06 N ATOM 390 CA LEU A 42 87.504 -23.041 0.712 1.00 25.90 C ATOM 391 C LEU A 42 88.864 -22.368 0.598 1.00 29.24 C ATOM 392 O LEU A 42 89.880 -23.027 0.364 1.00 37.21 O ATOM 393 CB LEU A 42 87.475 -23.989 1.914 1.00 30.44 C ATOM 394 CG LEU A 42 86.128 -24.612 2.283 1.00 33.93 C ATOM 395 CD1 LEU A 42 86.279 -25.614 3.419 1.00 26.93 C ATOM 396 CD2 LEU A 42 85.137 -23.528 2.671 1.00 25.13 C ATOM 397 H LEU A 42 87.197 -24.787 -0.536 1.00 0.00 H ATOM 398 N HIS A 43 88.872 -21.050 0.760 1.00 24.50 N ATOM 399 CA HIS A 43 90.082 -20.263 0.576 1.00 28.07 C ATOM 400 C HIS A 43 89.996 -18.917 1.280 1.00 30.00 C ATOM 401 O HIS A 43 88.914 -18.469 1.657 1.00 26.76 O ATOM 402 CB HIS A 43 90.336 -20.049 -0.917 1.00 29.19 C ATOM 403 CG HIS A 43 89.297 -19.202 -1.587 1.00 38.14 C ATOM 404 ND1 HIS A 43 88.169 -19.735 -2.171 1.00 39.97 N ATOM 405 CD2 HIS A 43 89.209 -17.860 -1.753 1.00 32.48 C ATOM 406 CE1 HIS A 43 87.434 -18.759 -2.675 1.00 45.73 C ATOM 407 NE2 HIS A 43 88.042 -17.613 -2.435 1.00 42.63 N ATOM 408 H HIS A 43 87.990 -20.567 1.025 1.00 0.00 H ATOM 409 N LEU A 44 91.144 -18.268 1.441 1.00 29.25 N ATOM 410 CA LEU A 44 91.189 -16.936 2.029 1.00 29.46 C ATOM 411 C LEU A 44 91.634 -15.941 0.966 1.00 34.91 C ATOM 412 O LEU A 44 92.815 -15.885 0.612 1.00 31.81 O ATOM 413 CB LEU A 44 92.125 -16.911 3.242 1.00 30.94 C ATOM 414 CG LEU A 44 91.993 -15.752 4.238 1.00 37.59 C ATOM 415 CD1 LEU A 44 92.536 -16.156 5.602 1.00 35.51 C ATOM 416 CD2 LEU A 44 92.704 -14.502 3.745 1.00 39.37 C ATOM 417 H LEU A 44 92.031 -18.721 1.140 1.00 0.00 H ATOM 418 N THR A 45 90.685 -15.156 0.461 1.00 39.46 N ATOM 419 CA THR A 45 90.973 -14.206 -0.607 1.00 34.35 C ATOM 420 C THR A 45 91.852 -13.067 -0.100 1.00 42.41 C ATOM 421 O THR A 45 91.532 -12.415 0.897 1.00 33.09 O ATOM 422 CB THR A 45 89.677 -13.621 -1.199 1.00 37.93 C ATOM 423 OG1 THR A 45 88.890 -14.674 -1.773 1.00 41.59 O ATOM 424 CG2 THR A 45 89.994 -12.588 -2.269 1.00 34.47 C ATOM 425 HG1 THR A 45 88.058 -14.294 -2.152 1.00 0.00 H ATOM 426 H THR A 45 89.717 -15.222 0.836 1.00 0.00 H ATOM 427 N LEU A 46 92.963 -12.836 -0.795 1.00 36.58 N ATOM 428 CA LEU A 46 93.898 -11.782 -0.425 1.00 30.91 C ATOM 429 C LEU A 46 93.583 -10.483 -1.155 1.00 29.59 C ATOM 430 O LEU A 46 93.602 -9.404 -0.562 1.00 32.16 O ATOM 431 CB LEU A 46 95.332 -12.219 -0.730 1.00 29.65 C ATOM 432 CG LEU A 46 95.864 -13.382 0.110 1.00 39.17 C ATOM 433 CD1 LEU A 46 97.183 -13.895 -0.444 1.00 37.69 C ATOM 434 CD2 LEU A 46 96.024 -12.956 1.558 1.00 34.79 C ATOM 435 H LEU A 46 93.170 -13.425 -1.627 1.00 0.00 H ATOM 436 N ALA A 47 93.288 -10.600 -2.446 1.00 27.57 N ATOM 437 CA ALA A 47 92.955 -9.444 -3.266 1.00 30.82 C ATOM 438 C ALA A 47 92.167 -9.864 -4.500 1.00 28.60 C ATOM 439 O ALA A 47 92.568 -10.779 -5.222 1.00 23.99 O ATOM 440 CB ALA A 47 94.223 -8.699 -3.670 1.00 28.66 C ATOM 441 H ALA A 47 93.295 -11.544 -2.882 1.00 0.00 H ATOM 442 N PHE A 48 91.046 -9.189 -4.737 1.00 35.07 N ATOM 443 CA PHE A 48 90.239 -9.424 -5.930 1.00 41.57 C ATOM 444 C PHE A 48 90.668 -8.475 -7.043 1.00 40.43 C ATOM 445 O PHE A 48 90.838 -7.275 -6.814 1.00 43.20 O ATOM 446 CB PHE A 48 88.750 -9.268 -5.614 1.00 44.01 C ATOM 447 CG PHE A 48 87.846 -9.590 -6.769 1.00 62.35 C ATOM 448 CD1 PHE A 48 87.601 -10.906 -7.132 1.00 58.98 C ATOM 449 CD2 PHE A 48 87.217 -8.577 -7.474 1.00 61.61 C ATOM 450 CE1 PHE A 48 86.763 -11.203 -8.194 1.00 63.09 C ATOM 451 CE2 PHE A 48 86.375 -8.868 -8.532 1.00 57.95 C ATOM 452 CZ PHE A 48 86.149 -10.182 -8.893 1.00 60.34 C ATOM 453 H PHE A 48 90.735 -8.472 -4.051 1.00 0.00 H ATOM 454 N LEU A 49 90.841 -9.015 -8.246 1.00 38.36 N ATOM 455 CA LEU A 49 91.394 -8.246 -9.354 1.00 53.49 C ATOM 456 C LEU A 49 90.334 -7.863 -10.385 1.00 47.87 C ATOM 457 O LEU A 49 90.501 -6.895 -11.128 1.00 49.96 O ATOM 458 CB LEU A 49 92.509 -9.048 -10.032 1.00 37.76 C ATOM 459 CG LEU A 49 93.621 -9.587 -9.124 1.00 36.77 C ATOM 460 CD1 LEU A 49 94.637 -10.406 -9.910 1.00 40.94 C ATOM 461 CD2 LEU A 49 94.309 -8.463 -8.375 1.00 45.63 C ATOM 462 H LEU A 49 90.576 -10.009 -8.400 1.00 0.00 H ATOM 463 N GLY A 50 89.244 -8.623 -10.426 1.00 43.84 N ATOM 464 CA GLY A 50 88.204 -8.403 -11.415 1.00 48.12 C ATOM 465 C GLY A 50 88.628 -8.984 -12.747 1.00 43.71 C ATOM 466 O GLY A 50 89.571 -9.772 -12.801 1.00 47.46 O ATOM 467 H GLY A 50 89.134 -9.392 -9.735 1.00 0.00 H ATOM 468 N GLU A 51 87.936 -8.611 -13.819 1.00 56.35 N ATOM 469 CA GLU A 51 88.309 -9.079 -15.149 1.00 50.74 C ATOM 470 C GLU A 51 89.632 -8.446 -15.586 1.00 46.52 C ATOM 471 O GLU A 51 89.756 -7.220 -15.640 1.00 33.79 O ATOM 472 CB GLU A 51 87.209 -8.762 -16.164 1.00 37.28 C ATOM 473 CG GLU A 51 86.962 -9.866 -17.185 1.00 47.75 C ATOM 474 CD GLU A 51 86.136 -11.010 -16.622 1.00 61.84 C ATOM 475 OE1 GLU A 51 86.204 -12.127 -17.179 1.00 59.59 O ATOM 476 OE2 GLU A 51 85.411 -10.790 -15.629 1.00 50.21 O ATOM 477 H GLU A 51 87.119 -7.978 -13.708 1.00 0.00 H ATOM 478 N VAL A 52 90.616 -9.286 -15.892 1.00 39.12 N ATOM 479 CA VAL A 52 91.953 -8.818 -16.246 1.00 35.92 C ATOM 480 C VAL A 52 92.448 -9.605 -17.460 1.00 35.96 C ATOM 481 O VAL A 52 92.266 -10.820 -17.535 1.00 44.50 O ATOM 482 CB VAL A 52 92.938 -8.937 -15.049 1.00 42.84 C ATOM 483 CG1 VAL A 52 92.513 -10.041 -14.106 1.00 39.39 C ATOM 484 CG2 VAL A 52 94.368 -9.145 -15.524 1.00 50.60 C ATOM 485 H VAL A 52 90.427 -10.309 -15.879 1.00 0.00 H ATOM 486 N SER A 53 93.068 -8.909 -18.411 1.00 37.78 N ATOM 487 CA SER A 53 93.536 -9.538 -19.643 1.00 40.30 C ATOM 488 C SER A 53 94.918 -10.164 -19.483 1.00 45.30 C ATOM 489 O SER A 53 95.555 -10.019 -18.439 1.00 46.68 O ATOM 490 CB SER A 53 93.561 -8.516 -20.780 1.00 41.70 C ATOM 491 OG SER A 53 94.426 -7.437 -20.474 1.00 50.68 O ATOM 492 HG SER A 53 94.424 -6.791 -21.224 1.00 0.00 H ATOM 493 H SER A 53 93.223 -7.890 -18.273 1.00 0.00 H ATOM 494 N ALA A 54 95.370 -10.866 -20.519 1.00 50.25 N ATOM 495 CA ALA A 54 96.643 -11.579 -20.468 1.00 40.53 C ATOM 496 C ALA A 54 97.826 -10.640 -20.263 1.00 41.98 C ATOM 497 O ALA A 54 98.767 -10.977 -19.543 1.00 44.09 O ATOM 498 CB ALA A 54 96.832 -12.395 -21.732 1.00 22.99 C ATOM 499 H ALA A 54 94.801 -10.908 -21.389 1.00 0.00 H ATOM 500 N GLU A 55 97.787 -9.476 -20.905 1.00 47.36 N ATOM 501 CA GLU A 55 98.865 -8.500 -20.767 1.00 51.40 C ATOM 502 C GLU A 55 98.984 -8.048 -19.319 1.00 41.89 C ATOM 503 O GLU A 55 100.081 -7.979 -18.766 1.00 54.11 O ATOM 504 CB GLU A 55 98.662 -7.291 -21.682 1.00 64.89 C ATOM 505 CG GLU A 55 98.957 -7.559 -23.151 1.00 71.06 C ATOM 506 CD GLU A 55 99.233 -6.286 -23.935 1.00 77.64 C ATOM 507 OE1 GLU A 55 98.394 -5.363 -23.902 1.00 62.40 O ATOM 508 OE2 GLU A 55 100.302 -6.206 -24.578 1.00 81.20 O ATOM 509 H GLU A 55 96.975 -9.257 -21.516 1.00 0.00 H ATOM 510 N LYS A 56 97.843 -7.739 -18.713 1.00 51.11 N ATOM 511 CA LYS A 56 97.814 -7.197 -17.363 1.00 51.65 C ATOM 512 C LYS A 56 97.994 -8.279 -16.307 1.00 42.26 C ATOM 513 O LYS A 56 98.524 -8.019 -15.227 1.00 38.41 O ATOM 514 CB LYS A 56 96.484 -6.487 -17.129 1.00 46.23 C ATOM 515 CG LYS A 56 96.400 -5.695 -15.848 1.00 52.19 C ATOM 516 CD LYS A 56 95.045 -5.034 -15.755 1.00 74.53 C ATOM 517 CE LYS A 56 94.890 -4.266 -14.468 1.00 80.38 C ATOM 518 NZ LYS A 56 93.505 -3.746 -14.354 1.00 86.37 N ATOM 519 HZ1 LYS A 56 93.306 -3.115 -15.157 1.00 0.00 H ATOM 520 HZ2 LYS A 56 92.835 -4.542 -14.362 1.00 0.00 H ATOM 521 HZ3 LYS A 56 93.407 -3.218 -13.464 1.00 0.00 H ATOM 522 H LYS A 56 96.946 -7.889 -19.217 1.00 0.00 H ATOM 523 N GLU A 57 97.569 -9.495 -16.633 1.00 36.75 N ATOM 524 CA GLU A 57 97.823 -10.655 -15.789 1.00 35.37 C ATOM 525 C GLU A 57 99.319 -10.899 -15.639 1.00 43.39 C ATOM 526 O GLU A 57 99.812 -11.203 -14.552 1.00 44.23 O ATOM 527 CB GLU A 57 97.143 -11.894 -16.376 1.00 35.66 C ATOM 528 CG GLU A 57 97.567 -13.205 -15.734 1.00 38.50 C ATOM 529 CD GLU A 57 96.853 -14.403 -16.330 1.00 36.13 C ATOM 530 OE1 GLU A 57 95.862 -14.205 -17.065 1.00 39.81 O ATOM 531 OE2 GLU A 57 97.289 -15.544 -16.071 1.00 32.74 O ATOM 532 H GLU A 57 97.038 -9.623 -17.518 1.00 0.00 H ATOM 533 N LYS A 58 100.033 -10.743 -16.749 1.00 45.81 N ATOM 534 CA LYS A 58 101.472 -10.959 -16.793 1.00 45.48 C ATOM 535 C LYS A 58 102.202 -9.886 -16.001 1.00 42.74 C ATOM 536 O LYS A 58 103.222 -10.149 -15.362 1.00 45.46 O ATOM 537 CB LYS A 58 101.948 -10.976 -18.245 1.00 43.67 C ATOM 538 CG LYS A 58 103.362 -11.476 -18.445 1.00 42.48 C ATOM 539 CD LYS A 58 103.691 -11.560 -19.927 1.00 55.49 C ATOM 540 CE LYS A 58 102.694 -12.445 -20.662 1.00 49.34 C ATOM 541 NZ LYS A 58 102.719 -13.848 -20.171 1.00 67.76 N ATOM 542 HZ1 LYS A 58 103.670 -14.246 -20.311 1.00 0.00 H ATOM 543 HZ2 LYS A 58 102.481 -13.864 -19.159 1.00 0.00 H ATOM 544 HZ3 LYS A 58 102.024 -14.412 -20.701 1.00 0.00 H ATOM 545 H LYS A 58 99.544 -10.455 -17.621 1.00 0.00 H ATOM 546 N ALA A 59 101.669 -8.672 -16.050 1.00 38.69 N ATOM 547 CA ALA A 59 102.243 -7.558 -15.312 1.00 44.90 C ATOM 548 C ALA A 59 102.075 -7.777 -13.812 1.00 50.61 C ATOM 549 O ALA A 59 102.984 -7.503 -13.028 1.00 44.78 O ATOM 550 CB ALA A 59 101.600 -6.252 -15.740 1.00 37.96 C ATOM 551 H ALA A 59 100.820 -8.513 -16.630 1.00 0.00 H ATOM 552 N LEU A 60 100.901 -8.269 -13.425 1.00 46.00 N ATOM 553 CA LEU A 60 100.578 -8.512 -12.021 1.00 45.42 C ATOM 554 C LEU A 60 101.349 -9.694 -11.436 1.00 49.12 C ATOM 555 O LEU A 60 101.693 -9.693 -10.253 1.00 53.21 O ATOM 556 CB LEU A 60 99.075 -8.758 -11.864 1.00 50.45 C ATOM 557 CG LEU A 60 98.117 -7.585 -12.085 1.00 48.94 C ATOM 558 CD1 LEU A 60 96.675 -8.068 -12.084 1.00 36.37 C ATOM 559 CD2 LEU A 60 98.323 -6.538 -11.009 1.00 58.81 C ATOM 560 H LEU A 60 100.187 -8.489 -14.149 1.00 0.00 H ATOM 561 N SER A 61 101.623 -10.694 -12.268 1.00 39.75 N ATOM 562 CA SER A 61 102.400 -11.856 -11.845 1.00 45.78 C ATOM 563 C SER A 61 103.833 -11.457 -11.533 1.00 54.58 C ATOM 564 O SER A 61 104.419 -11.912 -10.549 1.00 50.57 O ATOM 565 CB SER A 61 102.378 -12.944 -12.919 1.00 46.40 C ATOM 566 OG SER A 61 101.088 -13.518 -13.037 1.00 60.37 O ATOM 567 HG SER A 61 100.437 -12.815 -13.284 1.00 0.00 H ATOM 568 H SER A 61 101.275 -10.648 -13.247 1.00 0.00 H ATOM 569 N LEU A 62 104.390 -10.608 -12.391 1.00 50.16 N ATOM 570 CA LEU A 62 105.748 -10.115 -12.221 1.00 45.43 C ATOM 571 C LEU A 62 105.850 -9.338 -10.910 1.00 51.28 C ATOM 572 O LEU A 62 106.826 -9.474 -10.171 1.00 54.99 O ATOM 573 CB LEU A 62 106.145 -9.237 -13.409 1.00 52.61 C ATOM 574 CG LEU A 62 107.598 -9.284 -13.887 1.00 51.14 C ATOM 575 CD1 LEU A 62 107.942 -10.676 -14.386 1.00 44.95 C ATOM 576 CD2 LEU A 62 107.842 -8.258 -14.981 1.00 48.69 C ATOM 577 H LEU A 62 103.837 -10.286 -13.211 1.00 0.00 H ATOM 578 N LEU A 63 104.837 -8.520 -10.635 1.00 55.91 N ATOM 579 CA LEU A 63 104.780 -7.742 -9.402 1.00 53.58 C ATOM 580 C LEU A 63 104.677 -8.653 -8.185 1.00 54.50 C ATOM 581 O LEU A 63 105.179 -8.326 -7.108 1.00 57.23 O ATOM 582 CB LEU A 63 103.601 -6.766 -9.433 1.00 47.44 C ATOM 583 CG LEU A 63 103.787 -5.498 -10.270 1.00 59.29 C ATOM 584 CD1 LEU A 63 102.455 -4.805 -10.505 1.00 61.06 C ATOM 585 CD2 LEU A 63 104.762 -4.553 -9.584 1.00 58.31 C ATOM 586 H LEU A 63 104.061 -8.432 -11.321 1.00 0.00 H ATOM 587 N ALA A 64 104.015 -9.792 -8.357 1.00 52.00 N ATOM 588 CA ALA A 64 103.871 -10.751 -7.272 1.00 52.11 C ATOM 589 C ALA A 64 105.185 -11.477 -7.018 1.00 47.40 C ATOM 590 O ALA A 64 105.487 -11.851 -5.883 1.00 41.37 O ATOM 591 CB ALA A 64 102.769 -11.745 -7.587 1.00 50.39 C ATOM 592 H ALA A 64 103.592 -10.002 -9.284 1.00 0.00 H ATOM 593 N GLY A 65 105.961 -11.676 -8.080 1.00 48.28 N ATOM 594 CA GLY A 65 107.223 -12.382 -7.974 1.00 49.09 C ATOM 595 C GLY A 65 108.302 -11.618 -7.233 1.00 43.36 C ATOM 596 O GLY A 65 109.290 -12.207 -6.797 1.00 48.72 O ATOM 597 H GLY A 65 105.656 -11.317 -9.007 1.00 0.00 H ATOM 598 N ARG A 66 108.120 -10.309 -7.085 1.00 45.19 N ATOM 599 CA ARG A 66 109.114 -9.486 -6.404 1.00 49.62 C ATOM 600 C ARG A 66 108.814 -9.422 -4.912 1.00 45.41 C ATOM 601 O ARG A 66 109.586 -8.856 -4.137 1.00 46.93 O ATOM 602 CB ARG A 66 109.169 -8.076 -7.001 1.00 43.76 C ATOM 603 CG ARG A 66 109.683 -8.032 -8.437 1.00 56.54 C ATOM 604 CD ARG A 66 109.856 -6.604 -8.939 1.00 59.96 C ATOM 605 NE ARG A 66 110.919 -5.908 -8.217 1.00 67.48 N ATOM 606 CZ ARG A 66 112.210 -5.988 -8.530 1.00 75.11 C ATOM 607 NH1 ARG A 66 113.109 -5.324 -7.817 1.00 73.82 N ATOM 608 NH2 ARG A 66 112.605 -6.733 -9.555 1.00 59.89 N ATOM 609 HE ARG A 66 110.650 -5.313 -7.408 1.00 0.00 H ATOM 610 HH12 ARG A 66 114.118 -5.387 -8.063 1.00 0.00 H ATOM 611 HH11 ARG A 66 112.806 -4.740 -7.012 1.00 0.00 H ATOM 612 HH22 ARG A 66 113.615 -6.793 -9.796 1.00 0.00 H ATOM 613 HH21 ARG A 66 111.905 -7.257 -10.117 1.00 0.00 H ATOM 614 H ARG A 66 107.257 -9.866 -7.460 1.00 0.00 H ATOM 615 N ILE A 67 107.685 -10.001 -4.517 1.00 46.45 N ATOM 616 CA ILE A 67 107.295 -10.025 -3.114 1.00 40.41 C ATOM 617 C ILE A 67 108.231 -10.944 -2.337 1.00 38.77 C ATOM 618 O ILE A 67 108.364 -12.129 -2.649 1.00 41.43 O ATOM 619 CB ILE A 67 105.830 -10.491 -2.934 1.00 41.50 C ATOM 620 CG1 ILE A 67 104.865 -9.453 -3.513 1.00 53.03 C ATOM 621 CG2 ILE A 67 105.516 -10.731 -1.469 1.00 37.01 C ATOM 622 CD1 ILE A 67 103.407 -9.849 -3.420 1.00 45.39 C ATOM 623 H ILE A 67 107.067 -10.446 -5.225 1.00 0.00 H ATOM 624 N ARG A 68 108.887 -10.384 -1.328 1.00 40.56 N ATOM 625 CA ARG A 68 109.776 -11.149 -0.465 1.00 52.14 C ATOM 626 C ARG A 68 109.228 -11.105 0.946 1.00 47.80 C ATOM 627 O ARG A 68 109.256 -10.060 1.595 1.00 52.06 O ATOM 628 CB ARG A 68 111.200 -10.590 -0.511 1.00 42.11 C ATOM 629 CG ARG A 68 111.808 -10.565 -1.904 1.00 36.62 C ATOM 630 CD ARG A 68 111.989 -11.975 -2.434 1.00 42.13 C ATOM 631 NE ARG A 68 112.538 -11.986 -3.786 1.00 45.90 N ATOM 632 CZ ARG A 68 111.794 -12.041 -4.884 1.00 48.94 C ATOM 633 NH1 ARG A 68 110.474 -12.094 -4.782 1.00 49.19 N ATOM 634 NH2 ARG A 68 112.366 -12.049 -6.080 1.00 41.44 N ATOM 635 HE ARG A 68 113.572 -11.949 -3.896 1.00 0.00 H ATOM 636 HH12 ARG A 68 109.887 -12.137 -5.640 1.00 0.00 H ATOM 637 HH11 ARG A 68 110.024 -12.092 -3.844 1.00 0.00 H ATOM 638 HH22 ARG A 68 111.779 -12.092 -6.937 1.00 0.00 H ATOM 639 HH21 ARG A 68 113.402 -12.012 -6.161 1.00 0.00 H ATOM 640 H ARG A 68 108.762 -9.367 -1.148 1.00 0.00 H ATOM 641 N GLN A 69 108.720 -12.237 1.418 1.00 46.97 N ATOM 642 CA GLN A 69 108.069 -12.269 2.716 1.00 49.37 C ATOM 643 C GLN A 69 108.023 -13.674 3.307 1.00 52.23 C ATOM 644 O GLN A 69 107.683 -14.632 2.616 1.00 47.82 O ATOM 645 CB GLN A 69 106.656 -11.697 2.581 1.00 45.58 C ATOM 646 CG GLN A 69 105.843 -11.679 3.851 1.00 48.62 C ATOM 647 CD GLN A 69 104.508 -11.003 3.652 1.00 53.73 C ATOM 648 OE1 GLN A 69 103.507 -11.400 4.239 1.00 62.86 O ATOM 649 NE2 GLN A 69 104.488 -9.967 2.820 1.00 54.82 N ATOM 650 HE22 GLN A 69 105.362 -9.665 2.344 1.00 0.00 H ATOM 651 HE21 GLN A 69 103.598 -9.458 2.645 1.00 0.00 H ATOM 652 H GLN A 69 108.789 -13.108 0.854 1.00 0.00 H ATOM 653 N PRO A 70 108.378 -13.793 4.596 1.00 44.70 N ATOM 654 CA PRO A 70 108.386 -15.065 5.324 1.00 45.14 C ATOM 655 C PRO A 70 106.991 -15.661 5.470 1.00 52.74 C ATOM 656 O PRO A 70 105.996 -14.943 5.354 1.00 52.27 O ATOM 657 CB PRO A 70 108.958 -14.681 6.693 1.00 36.49 C ATOM 658 CG PRO A 70 108.681 -13.222 6.825 1.00 36.87 C ATOM 659 CD PRO A 70 108.829 -12.674 5.441 1.00 39.66 C ATOM 660 N GLY A 71 106.924 -16.965 5.716 1.00 52.00 N ATOM 661 CA GLY A 71 105.651 -17.627 5.923 1.00 36.72 C ATOM 662 C GLY A 71 105.113 -17.308 7.302 1.00 35.94 C ATOM 663 O GLY A 71 105.836 -16.778 8.150 1.00 45.66 O ATOM 664 H GLY A 71 107.802 -17.521 5.761 1.00 0.00 H ATOM 665 N PHE A 72 103.844 -17.632 7.528 1.00 36.69 N ATOM 666 CA PHE A 72 103.198 -17.367 8.809 1.00 30.83 C ATOM 667 C PHE A 72 102.175 -18.447 9.146 1.00 30.82 C ATOM 668 O PHE A 72 101.815 -19.259 8.294 1.00 28.21 O ATOM 669 CB PHE A 72 102.538 -15.984 8.801 1.00 30.25 C ATOM 670 CG PHE A 72 101.680 -15.723 7.595 1.00 36.75 C ATOM 671 CD1 PHE A 72 102.199 -15.063 6.492 1.00 35.98 C ATOM 672 CD2 PHE A 72 100.352 -16.124 7.567 1.00 37.60 C ATOM 673 CE1 PHE A 72 101.413 -14.815 5.380 1.00 42.94 C ATOM 674 CE2 PHE A 72 99.563 -15.879 6.457 1.00 32.70 C ATOM 675 CZ PHE A 72 100.094 -15.223 5.364 1.00 32.95 C ATOM 676 H PHE A 72 103.296 -18.087 6.770 1.00 0.00 H ATOM 677 N THR A 73 101.716 -18.459 10.393 1.00 33.86 N ATOM 678 CA THR A 73 100.759 -19.464 10.844 1.00 31.27 C ATOM 679 C THR A 73 99.358 -18.881 10.990 1.00 31.12 C ATOM 680 O THR A 73 99.180 -17.825 11.599 1.00 36.33 O ATOM 681 CB THR A 73 101.186 -20.081 12.193 1.00 34.44 C ATOM 682 OG1 THR A 73 102.465 -20.713 12.052 1.00 42.85 O ATOM 683 CG2 THR A 73 100.170 -21.111 12.661 1.00 31.23 C ATOM 684 HG1 THR A 73 102.734 -21.107 12.919 1.00 0.00 H ATOM 685 H THR A 73 102.046 -17.735 11.063 1.00 0.00 H ATOM 686 N LEU A 74 98.371 -19.561 10.415 1.00 27.63 N ATOM 687 CA LEU A 74 96.975 -19.167 10.568 1.00 26.99 C ATOM 688 C LEU A 74 96.279 -20.096 11.555 1.00 30.16 C ATOM 689 O LEU A 74 96.322 -21.317 11.401 1.00 31.80 O ATOM 690 CB LEU A 74 96.253 -19.190 9.217 1.00 25.53 C ATOM 691 CG LEU A 74 96.578 -18.053 8.247 1.00 33.37 C ATOM 692 CD1 LEU A 74 95.697 -18.120 7.010 1.00 36.81 C ATOM 693 CD2 LEU A 74 96.427 -16.707 8.935 1.00 37.97 C ATOM 694 H LEU A 74 98.601 -20.397 9.840 1.00 0.00 H ATOM 695 N THR A 75 95.650 -19.520 12.575 1.00 22.79 N ATOM 696 CA THR A 75 94.852 -20.300 13.512 1.00 22.48 C ATOM 697 C THR A 75 93.417 -19.787 13.512 1.00 28.05 C ATOM 698 O THR A 75 93.147 -18.662 13.941 1.00 25.00 O ATOM 699 CB THR A 75 95.429 -20.242 14.937 1.00 32.56 C ATOM 700 OG1 THR A 75 96.787 -20.704 14.922 1.00 30.93 O ATOM 701 CG2 THR A 75 94.615 -21.121 15.874 1.00 32.30 C ATOM 702 HG1 THR A 75 96.813 -21.637 14.592 1.00 0.00 H ATOM 703 H THR A 75 95.729 -18.491 12.707 1.00 0.00 H ATOM 704 N LEU A 76 92.503 -20.616 13.019 1.00 26.67 N ATOM 705 CA LEU A 76 91.110 -20.217 12.861 1.00 25.19 C ATOM 706 C LEU A 76 90.328 -20.336 14.166 1.00 22.33 C ATOM 707 O LEU A 76 89.854 -21.420 14.522 1.00 28.48 O ATOM 708 CB LEU A 76 90.449 -21.058 11.768 1.00 26.68 C ATOM 709 CG LEU A 76 91.152 -20.998 10.407 1.00 26.27 C ATOM 710 CD1 LEU A 76 90.476 -21.907 9.391 1.00 19.13 C ATOM 711 CD2 LEU A 76 91.207 -19.566 9.891 1.00 20.00 C ATOM 712 H LEU A 76 92.789 -21.576 12.738 1.00 0.00 H ATOM 713 N ASP A 77 90.208 -19.219 14.879 1.00 28.16 N ATOM 714 CA ASP A 77 89.583 -19.206 16.197 1.00 33.90 C ATOM 715 C ASP A 77 88.288 -18.398 16.189 1.00 31.15 C ATOM 716 O ASP A 77 87.669 -18.199 17.234 1.00 31.49 O ATOM 717 CB ASP A 77 90.545 -18.642 17.247 1.00 36.73 C ATOM 718 CG ASP A 77 90.934 -17.193 16.977 1.00 37.77 C ATOM 719 OD1 ASP A 77 91.514 -16.558 17.884 1.00 30.44 O ATOM 720 OD2 ASP A 77 90.643 -16.678 15.874 1.00 31.10 O ATOM 721 H ASP A 77 90.571 -18.328 14.484 1.00 0.00 H ATOM 722 N ASP A 78 87.883 -17.940 15.008 1.00 26.57 N ATOM 723 CA ASP A 78 86.755 -17.024 14.896 1.00 26.20 C ATOM 724 C ASP A 78 85.794 -17.398 13.771 1.00 34.64 C ATOM 725 O ASP A 78 86.214 -17.756 12.666 1.00 35.87 O ATOM 726 CB ASP A 78 87.263 -15.597 14.684 1.00 28.43 C ATOM 727 CG ASP A 78 86.239 -14.551 15.070 1.00 37.85 C ATOM 728 OD1 ASP A 78 85.300 -14.885 15.826 1.00 46.10 O ATOM 729 OD2 ASP A 78 86.370 -13.394 14.619 1.00 40.46 O ATOM 730 H ASP A 78 88.382 -18.242 14.147 1.00 0.00 H ATOM 731 N ALA A 79 84.501 -17.314 14.068 1.00 29.12 N ATOM 732 CA ALA A 79 83.459 -17.506 13.068 1.00 31.24 C ATOM 733 C ALA A 79 82.380 -16.440 13.235 1.00 31.69 C ATOM 734 O ALA A 79 82.130 -15.973 14.352 1.00 31.25 O ATOM 735 CB ALA A 79 82.861 -18.897 13.179 1.00 28.81 C ATOM 736 H ALA A 79 84.224 -17.104 15.048 1.00 0.00 H ATOM 737 N GLY A 80 81.738 -16.056 12.136 1.00 35.73 N ATOM 738 CA GLY A 80 80.717 -15.024 12.198 1.00 35.90 C ATOM 739 C GLY A 80 79.836 -14.941 10.965 1.00 33.60 C ATOM 740 O GLY A 80 79.894 -15.796 10.079 1.00 30.06 O ATOM 741 H GLY A 80 81.969 -16.498 11.223 1.00 0.00 H ATOM 742 N GLN A 81 79.028 -13.887 10.904 1.00 41.14 N ATOM 743 CA GLN A 81 78.063 -13.715 9.826 1.00 39.55 C ATOM 744 C GLN A 81 77.961 -12.257 9.403 1.00 35.56 C ATOM 745 O GLN A 81 77.763 -11.376 10.241 1.00 45.49 O ATOM 746 CB GLN A 81 76.685 -14.219 10.270 1.00 32.85 C ATOM 747 CG GLN A 81 75.596 -14.074 9.219 1.00 40.03 C ATOM 748 CD GLN A 81 74.281 -14.681 9.663 1.00 37.47 C ATOM 749 OE1 GLN A 81 73.907 -14.595 10.834 1.00 32.94 O ATOM 750 NE2 GLN A 81 73.570 -15.298 8.728 1.00 41.22 N ATOM 751 HE22 GLN A 81 73.925 -15.346 7.752 1.00 0.00 H ATOM 752 HE21 GLN A 81 72.657 -15.734 8.971 1.00 0.00 H ATOM 753 H GLN A 81 79.087 -13.163 11.648 1.00 0.00 H ATOM 754 N TRP A 82 78.096 -12.001 8.107 1.00 32.26 N ATOM 755 CA TRP A 82 77.875 -10.661 7.587 1.00 42.17 C ATOM 756 C TRP A 82 76.547 -10.611 6.839 1.00 42.85 C ATOM 757 O TRP A 82 76.429 -11.156 5.741 1.00 39.51 O ATOM 758 CB TRP A 82 79.035 -10.247 6.679 1.00 42.12 C ATOM 759 CG TRP A 82 80.307 -10.020 7.439 1.00 42.78 C ATOM 760 CD1 TRP A 82 80.422 -9.686 8.758 1.00 43.47 C ATOM 761 CD2 TRP A 82 81.645 -10.138 6.937 1.00 40.63 C ATOM 762 NE1 TRP A 82 81.747 -9.575 9.104 1.00 42.80 N ATOM 763 CE2 TRP A 82 82.518 -9.848 8.004 1.00 43.05 C ATOM 764 CE3 TRP A 82 82.188 -10.453 5.688 1.00 42.97 C ATOM 765 CZ2 TRP A 82 83.904 -9.865 7.861 1.00 48.72 C ATOM 766 CZ3 TRP A 82 83.564 -10.469 5.547 1.00 43.15 C ATOM 767 CH2 TRP A 82 84.406 -10.177 6.627 1.00 50.55 C ATOM 768 HE1 TRP A 82 82.107 -9.325 10.047 1.00 0.00 H ATOM 769 H TRP A 82 78.363 -12.767 7.457 1.00 0.00 H ATOM 770 N LEU A 83 75.551 -9.965 7.435 1.00 47.93 N ATOM 771 CA LEU A 83 74.189 -10.015 6.915 1.00 40.74 C ATOM 772 C LEU A 83 74.023 -9.243 5.607 1.00 38.66 C ATOM 773 O LEU A 83 73.320 -9.696 4.706 1.00 45.85 O ATOM 774 CB LEU A 83 73.201 -9.515 7.968 1.00 40.41 C ATOM 775 CG LEU A 83 73.095 -10.449 9.177 1.00 51.86 C ATOM 776 CD1 LEU A 83 72.159 -9.902 10.243 1.00 62.65 C ATOM 777 CD2 LEU A 83 72.630 -11.825 8.722 1.00 50.08 C ATOM 778 H LEU A 83 75.747 -9.410 8.293 1.00 0.00 H ATOM 779 N ARG A 84 74.655 -8.078 5.504 1.00 37.57 N ATOM 780 CA ARG A 84 74.544 -7.275 4.291 1.00 35.55 C ATOM 781 C ARG A 84 75.241 -7.978 3.128 1.00 37.73 C ATOM 782 O ARG A 84 74.679 -8.079 2.040 1.00 52.96 O ATOM 783 CB ARG A 84 75.111 -5.874 4.518 1.00 38.25 C ATOM 784 CG ARG A 84 74.339 -5.091 5.580 1.00 44.29 C ATOM 785 CD ARG A 84 74.728 -3.625 5.619 1.00 53.64 C ATOM 786 NE ARG A 84 74.495 -2.961 4.340 1.00 36.11 N ATOM 787 CZ ARG A 84 74.662 -1.659 4.132 1.00 33.57 C ATOM 788 NH1 ARG A 84 74.429 -1.144 2.933 1.00 50.74 N ATOM 789 NH2 ARG A 84 75.059 -0.872 5.123 1.00 35.15 N ATOM 790 HE ARG A 84 74.178 -3.545 3.540 1.00 0.00 H ATOM 791 HH12 ARG A 84 74.560 -0.125 2.770 1.00 0.00 H ATOM 792 HH11 ARG A 84 74.115 -1.759 2.155 1.00 0.00 H ATOM 793 HH22 ARG A 84 75.189 0.147 4.958 1.00 0.00 H ATOM 794 HH21 ARG A 84 75.240 -1.273 6.065 1.00 0.00 H ATOM 795 H ARG A 84 75.235 -7.735 6.297 1.00 0.00 H ATOM 796 N SER A 85 76.466 -8.449 3.351 1.00 39.00 N ATOM 797 CA SER A 85 77.188 -9.193 2.321 1.00 38.12 C ATOM 798 C SER A 85 76.591 -10.590 2.165 1.00 39.24 C ATOM 799 O SER A 85 76.873 -11.296 1.193 1.00 34.21 O ATOM 800 CB SER A 85 78.674 -9.293 2.658 1.00 40.47 C ATOM 801 OG SER A 85 79.208 -8.024 2.987 1.00 64.29 O ATOM 802 HG SER A 85 80.170 -8.117 3.201 1.00 0.00 H ATOM 803 H SER A 85 76.917 -8.285 4.274 1.00 0.00 H ATOM 804 N ARG A 86 75.774 -10.971 3.144 1.00 39.59 N ATOM 805 CA ARG A 86 75.045 -12.239 3.157 1.00 42.47 C ATOM 806 C ARG A 86 75.937 -13.477 3.118 1.00 40.61 C ATOM 807 O ARG A 86 75.704 -14.391 2.324 1.00 42.23 O ATOM 808 CB ARG A 86 74.047 -12.305 2.000 1.00 35.22 C ATOM 809 CG ARG A 86 72.808 -11.449 2.193 1.00 42.24 C ATOM 810 CD ARG A 86 72.107 -11.244 0.874 1.00 57.69 C ATOM 811 NE ARG A 86 71.754 -12.535 0.292 1.00 62.94 N ATOM 812 CZ ARG A 86 70.821 -12.713 -0.635 1.00 67.32 C ATOM 813 NH1 ARG A 86 70.580 -13.931 -1.105 1.00 61.45 N ATOM 814 NH2 ARG A 86 70.126 -11.678 -1.086 1.00 69.17 N ATOM 815 HE ARG A 86 72.269 -13.374 0.627 1.00 0.00 H ATOM 816 HH12 ARG A 86 69.849 -14.073 -1.831 1.00 0.00 H ATOM 817 HH11 ARG A 86 71.122 -14.743 -0.747 1.00 0.00 H ATOM 818 HH22 ARG A 86 69.395 -11.819 -1.812 1.00 0.00 H ATOM 819 HH21 ARG A 86 70.312 -10.725 -0.713 1.00 0.00 H ATOM 820 H ARG A 86 75.646 -10.327 3.950 1.00 0.00 H ATOM 821 N VAL A 87 76.946 -13.513 3.982 1.00 31.27 N ATOM 822 CA VAL A 87 77.839 -14.666 4.056 1.00 29.17 C ATOM 823 C VAL A 87 78.071 -15.087 5.504 1.00 32.06 C ATOM 824 O VAL A 87 77.985 -14.267 6.421 1.00 35.20 O ATOM 825 CB VAL A 87 79.210 -14.387 3.385 1.00 28.97 C ATOM 826 CG1 VAL A 87 79.036 -14.133 1.898 1.00 29.18 C ATOM 827 CG2 VAL A 87 79.901 -13.205 4.049 1.00 34.14 C ATOM 828 H VAL A 87 77.103 -12.705 4.617 1.00 0.00 H ATOM 829 N VAL A 88 78.355 -16.370 5.702 1.00 31.46 N ATOM 830 CA VAL A 88 78.788 -16.870 7.001 1.00 31.20 C ATOM 831 C VAL A 88 80.261 -17.221 6.855 1.00 33.60 C ATOM 832 O VAL A 88 80.639 -17.998 5.973 1.00 22.94 O ATOM 833 CB VAL A 88 77.975 -18.096 7.464 1.00 26.92 C ATOM 834 CG1 VAL A 88 78.532 -18.646 8.765 1.00 25.46 C ATOM 835 CG2 VAL A 88 76.511 -17.729 7.625 1.00 27.26 C ATOM 836 H VAL A 88 78.266 -17.036 4.908 1.00 0.00 H ATOM 837 N TRP A 89 81.095 -16.644 7.713 1.00 34.33 N ATOM 838 CA TRP A 89 82.535 -16.726 7.513 1.00 34.76 C ATOM 839 C TRP A 89 83.323 -17.343 8.663 1.00 34.36 C ATOM 840 O TRP A 89 82.862 -17.406 9.804 1.00 29.59 O ATOM 841 CB TRP A 89 83.093 -15.328 7.229 1.00 33.23 C ATOM 842 CG TRP A 89 82.725 -14.306 8.261 1.00 28.32 C ATOM 843 CD1 TRP A 89 81.703 -13.408 8.188 1.00 34.25 C ATOM 844 CD2 TRP A 89 83.377 -14.070 9.514 1.00 39.63 C ATOM 845 NE1 TRP A 89 81.675 -12.628 9.318 1.00 33.09 N ATOM 846 CE2 TRP A 89 82.696 -13.014 10.151 1.00 39.98 C ATOM 847 CE3 TRP A 89 84.474 -14.648 10.164 1.00 38.19 C ATOM 848 CZ2 TRP A 89 83.069 -12.524 11.400 1.00 33.86 C ATOM 849 CZ3 TRP A 89 84.843 -14.162 11.405 1.00 39.57 C ATOM 850 CH2 TRP A 89 84.143 -13.111 12.009 1.00 30.67 C ATOM 851 HE1 TRP A 89 80.992 -11.868 9.511 1.00 0.00 H ATOM 852 H TRP A 89 80.717 -16.130 8.534 1.00 0.00 H ATOM 853 N LEU A 90 84.526 -17.794 8.327 1.00 30.79 N ATOM 854 CA LEU A 90 85.505 -18.273 9.289 1.00 28.18 C ATOM 855 C LEU A 90 86.693 -17.321 9.244 1.00 31.93 C ATOM 856 O LEU A 90 87.056 -16.846 8.167 1.00 36.90 O ATOM 857 CB LEU A 90 85.937 -19.700 8.953 1.00 28.22 C ATOM 858 CG LEU A 90 86.392 -20.614 10.089 1.00 41.71 C ATOM 859 CD1 LEU A 90 85.316 -20.729 11.152 1.00 39.03 C ATOM 860 CD2 LEU A 90 86.746 -21.984 9.537 1.00 33.09 C ATOM 861 H LEU A 90 84.782 -17.805 7.319 1.00 0.00 H ATOM 862 N GLY A 91 87.295 -17.024 10.391 1.00 26.44 N ATOM 863 CA GLY A 91 88.391 -16.071 10.399 1.00 26.52 C ATOM 864 C GLY A 91 89.307 -16.097 11.606 1.00 34.52 C ATOM 865 O GLY A 91 89.291 -17.038 12.404 1.00 32.16 O ATOM 866 H GLY A 91 86.983 -17.471 11.277 1.00 0.00 H ATOM 867 N MET A 92 90.108 -15.043 11.736 1.00 39.78 N ATOM 868 CA MET A 92 91.053 -14.912 12.839 1.00 37.38 C ATOM 869 C MET A 92 90.846 -13.585 13.567 1.00 34.86 C ATOM 870 O MET A 92 90.761 -12.533 12.931 1.00 44.95 O ATOM 871 CB MET A 92 92.489 -15.028 12.316 1.00 35.54 C ATOM 872 CG MET A 92 93.534 -15.296 13.387 1.00 47.67 C ATOM 873 SD MET A 92 95.070 -15.936 12.684 1.00 64.24 S ATOM 874 CE MET A 92 96.080 -16.101 14.156 1.00 38.11 C ATOM 875 H MET A 92 90.059 -14.285 11.026 1.00 0.00 H ATOM 876 N ARG A 93 90.759 -13.639 14.895 1.00 41.11 N ATOM 877 CA ARG A 93 90.588 -12.434 15.705 1.00 41.99 C ATOM 878 C ARG A 93 91.762 -11.482 15.531 1.00 35.68 C ATOM 879 O ARG A 93 91.582 -10.298 15.242 1.00 32.04 O ATOM 880 CB ARG A 93 90.441 -12.795 17.182 1.00 30.82 C ATOM 881 CG ARG A 93 89.171 -13.556 17.511 1.00 28.15 C ATOM 882 CD ARG A 93 89.152 -13.975 18.970 1.00 27.29 C ATOM 883 NE ARG A 93 88.038 -14.875 19.259 1.00 39.66 N ATOM 884 CZ ARG A 93 86.822 -14.472 19.610 1.00 37.83 C ATOM 885 NH1 ARG A 93 85.872 -15.363 19.858 1.00 41.01 N ATOM 886 NH2 ARG A 93 86.555 -13.177 19.714 1.00 47.11 N ATOM 887 HE ARG A 93 88.208 -15.898 19.185 1.00 0.00 H ATOM 888 HH12 ARG A 93 84.920 -15.046 20.133 1.00 0.00 H ATOM 889 HH11 ARG A 93 86.078 -16.379 19.778 1.00 0.00 H ATOM 890 HH22 ARG A 93 85.602 -12.863 19.989 1.00 0.00 H ATOM 891 HH21 ARG A 93 87.298 -12.476 19.521 1.00 0.00 H ATOM 892 H ARG A 93 90.814 -14.563 15.368 1.00 0.00 H ATOM 893 N GLN A 94 92.966 -12.016 15.707 1.00 44.59 N ATOM 894 CA GLN A 94 94.186 -11.241 15.534 1.00 42.34 C ATOM 895 C GLN A 94 95.064 -11.874 14.466 1.00 36.36 C ATOM 896 O GLN A 94 95.984 -12.626 14.786 1.00 32.68 O ATOM 897 CB GLN A 94 94.957 -11.145 16.854 1.00 42.69 C ATOM 898 CG GLN A 94 94.182 -10.508 17.994 1.00 41.09 C ATOM 899 CD GLN A 94 93.890 -9.043 17.745 1.00 45.60 C ATOM 900 OE1 GLN A 94 94.723 -8.317 17.201 1.00 44.58 O ATOM 901 NE2 GLN A 94 92.708 -8.598 18.151 1.00 46.92 N ATOM 902 HE22 GLN A 94 92.036 -9.248 18.606 1.00 0.00 H ATOM 903 HE21 GLN A 94 92.454 -7.599 18.014 1.00 0.00 H ATOM 904 H GLN A 94 93.039 -13.018 15.976 1.00 0.00 H ATOM 905 N PRO A 95 94.774 -11.576 13.191 1.00 43.72 N ATOM 906 CA PRO A 95 95.548 -12.103 12.063 1.00 38.42 C ATOM 907 C PRO A 95 97.017 -11.736 12.187 1.00 32.95 C ATOM 908 O PRO A 95 97.319 -10.640 12.660 1.00 43.51 O ATOM 909 CB PRO A 95 94.912 -11.423 10.848 1.00 34.42 C ATOM 910 CG PRO A 95 93.540 -11.059 11.294 1.00 40.57 C ATOM 911 CD PRO A 95 93.671 -10.710 12.742 1.00 40.49 C ATOM 912 N PRO A 96 97.921 -12.643 11.787 1.00 37.37 N ATOM 913 CA PRO A 96 99.348 -12.314 11.857 1.00 33.13 C ATOM 914 C PRO A 96 99.666 -11.139 10.943 1.00 38.82 C ATOM 915 O PRO A 96 98.971 -10.947 9.942 1.00 41.81 O ATOM 916 CB PRO A 96 100.037 -13.599 11.376 1.00 24.72 C ATOM 917 CG PRO A 96 99.001 -14.316 10.584 1.00 33.62 C ATOM 918 CD PRO A 96 97.689 -13.990 11.240 1.00 42.92 C ATOM 919 N ARG A 97 100.691 -10.365 11.286 1.00 32.23 N ATOM 920 CA ARG A 97 101.065 -9.205 10.488 1.00 37.99 C ATOM 921 C ARG A 97 101.402 -9.615 9.062 1.00 38.21 C ATOM 922 O ARG A 97 101.135 -8.872 8.117 1.00 41.37 O ATOM 923 CB ARG A 97 102.246 -8.475 11.130 1.00 45.55 C ATOM 924 CG ARG A 97 101.946 -7.949 12.527 1.00 59.91 C ATOM 925 CD ARG A 97 103.102 -7.142 13.094 1.00 73.06 C ATOM 926 NE ARG A 97 102.734 -5.743 13.292 1.00 89.92 N ATOM 927 CZ ARG A 97 102.915 -4.788 12.385 1.00 96.26 C ATOM 928 NH1 ARG A 97 103.465 -5.080 11.215 1.00 94.79 N ATOM 929 NH2 ARG A 97 102.548 -3.541 12.649 1.00 83.43 N ATOM 930 HE ARG A 97 102.303 -5.477 14.200 1.00 0.00 H ATOM 931 HH12 ARG A 97 103.606 -4.333 10.506 1.00 0.00 H ATOM 932 HH11 ARG A 97 103.755 -6.057 11.006 1.00 0.00 H ATOM 933 HH22 ARG A 97 102.690 -2.795 11.938 1.00 0.00 H ATOM 934 HH21 ARG A 97 102.118 -3.309 13.567 1.00 0.00 H ATOM 935 H ARG A 97 101.237 -10.592 12.141 1.00 0.00 H ATOM 936 N GLY A 98 101.984 -10.803 8.919 1.00 28.76 N ATOM 937 CA GLY A 98 102.310 -11.351 7.616 1.00 33.40 C ATOM 938 C GLY A 98 101.104 -11.432 6.700 1.00 39.24 C ATOM 939 O GLY A 98 101.193 -11.100 5.519 1.00 45.17 O ATOM 940 H GLY A 98 102.213 -11.357 9.769 1.00 0.00 H ATOM 941 N LEU A 99 99.972 -11.874 7.237 1.00 43.48 N ATOM 942 CA LEU A 99 98.753 -11.959 6.442 1.00 42.53 C ATOM 943 C LEU A 99 98.316 -10.567 6.001 1.00 46.50 C ATOM 944 O LEU A 99 97.879 -10.373 4.865 1.00 49.01 O ATOM 945 CB LEU A 99 97.634 -12.646 7.224 1.00 37.88 C ATOM 946 CG LEU A 99 96.315 -12.788 6.460 1.00 29.91 C ATOM 947 CD1 LEU A 99 96.525 -13.545 5.159 1.00 26.24 C ATOM 948 CD2 LEU A 99 95.264 -13.482 7.308 1.00 35.94 C ATOM 949 H LEU A 99 99.955 -12.163 8.236 1.00 0.00 H ATOM 950 N ILE A 100 98.442 -9.603 6.906 1.00 40.81 N ATOM 951 CA ILE A 100 98.061 -8.225 6.623 1.00 39.98 C ATOM 952 C ILE A 100 99.038 -7.608 5.622 1.00 43.47 C ATOM 953 O ILE A 100 98.629 -6.949 4.662 1.00 48.18 O ATOM 954 CB ILE A 100 98.030 -7.375 7.913 1.00 37.31 C ATOM 955 CG1 ILE A 100 96.999 -7.930 8.903 1.00 47.35 C ATOM 956 CG2 ILE A 100 97.760 -5.915 7.594 1.00 35.58 C ATOM 957 CD1 ILE A 100 95.587 -7.987 8.357 1.00 42.86 C ATOM 958 H ILE A 100 98.824 -9.838 7.844 1.00 0.00 H ATOM 959 N GLN A 101 100.329 -7.831 5.857 1.00 37.25 N ATOM 960 CA GLN A 101 101.388 -7.353 4.971 1.00 40.98 C ATOM 961 C GLN A 101 101.231 -7.854 3.539 1.00 46.64 C ATOM 962 O GLN A 101 101.322 -7.078 2.586 1.00 43.02 O ATOM 963 CB GLN A 101 102.756 -7.791 5.501 1.00 40.76 C ATOM 964 CG GLN A 101 103.289 -6.995 6.682 1.00 51.22 C ATOM 965 CD GLN A 101 104.712 -7.391 7.040 1.00 62.92 C ATOM 966 OE1 GLN A 101 105.578 -7.503 6.170 1.00 65.29 O ATOM 967 NE2 GLN A 101 104.955 -7.617 8.325 1.00 64.41 N ATOM 968 HE22 GLN A 101 104.193 -7.510 9.025 1.00 0.00 H ATOM 969 HE21 GLN A 101 105.907 -7.901 8.632 1.00 0.00 H ATOM 970 H GLN A 101 100.595 -8.368 6.707 1.00 0.00 H ATOM 971 N LEU A 102 101.000 -9.157 3.398 1.00 41.55 N ATOM 972 CA LEU A 102 100.887 -9.782 2.086 1.00 38.36 C ATOM 973 C LEU A 102 99.703 -9.232 1.305 1.00 34.75 C ATOM 974 O LEU A 102 99.829 -8.903 0.126 1.00 43.36 O ATOM 975 CB LEU A 102 100.770 -11.302 2.221 1.00 39.08 C ATOM 976 CG LEU A 102 100.657 -12.077 0.905 1.00 42.26 C ATOM 977 CD1 LEU A 102 101.867 -11.805 0.026 1.00 35.37 C ATOM 978 CD2 LEU A 102 100.506 -13.572 1.159 1.00 37.03 C ATOM 979 H LEU A 102 100.897 -9.746 4.249 1.00 0.00 H ATOM 980 N ALA A 103 98.553 -9.147 1.964 1.00 38.56 N ATOM 981 CA ALA A 103 97.349 -8.627 1.331 1.00 37.14 C ATOM 982 C ALA A 103 97.563 -7.197 0.848 1.00 43.52 C ATOM 983 O ALA A 103 97.316 -6.888 -0.316 1.00 39.36 O ATOM 984 CB ALA A 103 96.181 -8.695 2.286 1.00 45.01 C ATOM 985 H ALA A 103 98.511 -9.459 2.955 1.00 0.00 H ATOM 986 N ASN A 104 98.033 -6.337 1.749 1.00 39.94 N ATOM 987 CA ASN A 104 98.258 -4.930 1.435 1.00 38.62 C ATOM 988 C ASN A 104 99.243 -4.756 0.284 1.00 42.74 C ATOM 989 O ASN A 104 99.080 -3.870 -0.555 1.00 41.55 O ATOM 990 CB ASN A 104 98.764 -4.181 2.671 1.00 38.50 C ATOM 991 CG ASN A 104 97.693 -4.010 3.735 1.00 49.08 C ATOM 992 OD1 ASN A 104 96.497 -4.045 3.443 1.00 45.07 O ATOM 993 ND2 ASN A 104 98.121 -3.820 4.979 1.00 40.69 N ATOM 994 HD22 ASN A 104 99.141 -3.798 5.180 1.00 0.00 H ATOM 995 HD21 ASN A 104 97.436 -3.694 5.751 1.00 0.00 H ATOM 996 H ASN A 104 98.247 -6.679 2.708 1.00 0.00 H ATOM 997 N MET A 105 100.261 -5.611 0.246 1.00 39.86 N ATOM 998 CA MET A 105 101.261 -5.556 -0.812 1.00 41.61 C ATOM 999 C MET A 105 100.633 -5.879 -2.161 1.00 46.89 C ATOM 1000 O MET A 105 100.959 -5.262 -3.171 1.00 52.34 O ATOM 1001 CB MET A 105 102.401 -6.535 -0.512 1.00 52.74 C ATOM 1002 CG MET A 105 103.579 -6.480 -1.478 1.00 53.69 C ATOM 1003 SD MET A 105 104.611 -5.012 -1.292 1.00 79.46 S ATOM 1004 CE MET A 105 106.008 -5.440 -2.336 1.00 52.82 C ATOM 1005 H MET A 105 100.345 -6.335 0.988 1.00 0.00 H ATOM 1006 N LEU A 106 99.720 -6.843 -2.162 1.00 45.31 N ATOM 1007 CA LEU A 106 99.045 -7.276 -3.380 1.00 35.69 C ATOM 1008 C LEU A 106 97.910 -6.343 -3.805 1.00 45.17 C ATOM 1009 O LEU A 106 97.646 -6.177 -4.998 1.00 42.76 O ATOM 1010 CB LEU A 106 98.505 -8.696 -3.192 1.00 39.53 C ATOM 1011 CG LEU A 106 99.525 -9.840 -3.242 1.00 38.50 C ATOM 1012 CD1 LEU A 106 98.936 -11.119 -2.669 1.00 43.50 C ATOM 1013 CD2 LEU A 106 99.988 -10.074 -4.668 1.00 33.14 C ATOM 1014 H LEU A 106 99.478 -7.306 -1.263 1.00 0.00 H ATOM 1015 N ARG A 107 97.244 -5.737 -2.826 1.00 44.91 N ATOM 1016 CA ARG A 107 96.147 -4.809 -3.092 1.00 47.52 C ATOM 1017 C ARG A 107 96.660 -3.515 -3.713 1.00 55.28 C ATOM 1018 O ARG A 107 96.016 -2.941 -4.591 1.00 60.67 O ATOM 1019 CB ARG A 107 95.384 -4.525 -1.793 1.00 39.60 C ATOM 1020 CG ARG A 107 94.655 -5.752 -1.241 1.00 43.82 C ATOM 1021 CD ARG A 107 94.232 -5.579 0.217 1.00 46.48 C ATOM 1022 NE ARG A 107 93.304 -4.478 0.449 1.00 57.19 N ATOM 1023 CZ ARG A 107 91.995 -4.637 0.626 1.00 46.31 C ATOM 1024 NH1 ARG A 107 91.219 -3.582 0.842 1.00 43.57 N ATOM 1025 NH2 ARG A 107 91.465 -5.855 0.607 1.00 43.02 N ATOM 1026 HE ARG A 107 93.688 -3.512 0.478 1.00 0.00 H ATOM 1027 HH12 ARG A 107 90.196 -3.708 0.980 1.00 0.00 H ATOM 1028 HH11 ARG A 107 91.634 -2.629 0.873 1.00 0.00 H ATOM 1029 HH22 ARG A 107 90.442 -5.979 0.745 1.00 0.00 H ATOM 1030 HH21 ARG A 107 92.073 -6.684 0.454 1.00 0.00 H ATOM 1031 H ARG A 107 97.513 -5.930 -1.840 1.00 0.00 H ATOM 1032 N SER A 108 97.821 -3.062 -3.253 1.00 51.41 N ATOM 1033 CA SER A 108 98.404 -1.826 -3.754 1.00 48.29 C ATOM 1034 C SER A 108 99.035 -2.031 -5.127 1.00 56.03 C ATOM 1035 O SER A 108 99.312 -1.065 -5.837 1.00 63.99 O ATOM 1036 CB SER A 108 99.447 -1.284 -2.773 1.00 45.72 C ATOM 1037 OG SER A 108 100.575 -2.140 -2.701 1.00 54.41 O ATOM 1038 HG SER A 108 100.288 -3.037 -2.395 1.00 0.00 H ATOM 1039 H SER A 108 98.324 -3.602 -2.520 1.00 0.00 H ATOM 1040 N GLN A 109 99.259 -3.290 -5.496 1.00 56.62 N ATOM 1041 CA GLN A 109 99.863 -3.618 -6.784 1.00 65.59 C ATOM 1042 C GLN A 109 98.803 -3.731 -7.868 1.00 58.50 C ATOM 1043 O GLN A 109 99.063 -3.451 -9.038 1.00 64.72 O ATOM 1044 CB GLN A 109 100.645 -4.931 -6.689 1.00 60.55 C ATOM 1045 CG GLN A 109 101.995 -4.825 -5.993 1.00 49.07 C ATOM 1046 CD GLN A 109 102.651 -6.182 -5.799 1.00 54.84 C ATOM 1047 OE1 GLN A 109 102.101 -7.213 -6.191 1.00 54.32 O ATOM 1048 NE2 GLN A 109 103.827 -6.188 -5.184 1.00 59.90 N ATOM 1049 HE22 GLN A 109 104.254 -5.293 -4.870 1.00 0.00 H ATOM 1050 HE21 GLN A 109 104.321 -7.087 -5.016 1.00 0.00 H ATOM 1051 H GLN A 109 98.997 -4.061 -4.849 1.00 0.00 H ATOM 1052 N ALA A 110 97.606 -4.145 -7.471 1.00 59.03 N ATOM 1053 CA ALA A 110 96.494 -4.241 -8.403 1.00 68.34 C ATOM 1054 C ALA A 110 95.959 -2.850 -8.703 1.00 65.33 C ATOM 1055 O ALA A 110 95.518 -2.563 -9.814 1.00 61.08 O ATOM 1056 CB ALA A 110 95.404 -5.124 -7.839 1.00 63.44 C ATOM 1057 H ALA A 110 97.461 -4.406 -6.475 1.00 0.00 H ATOM 1058 N ALA A 111 96.038 -1.978 -7.705 1.00 62.16 N ATOM 1059 CA ALA A 111 95.509 -0.628 -7.826 1.00 63.15 C ATOM 1060 C ALA A 111 96.432 0.236 -8.675 1.00 74.37 C ATOM 1061 O ALA A 111 95.992 1.201 -9.295 1.00 82.92 O ATOM 1062 CB ALA A 111 95.316 -0.014 -6.451 1.00 57.38 C ATOM 1063 H ALA A 111 96.490 -2.267 -6.814 1.00 0.00 H ATOM 1064 N ARG A 112 97.713 -0.115 -8.698 1.00 74.27 N ATOM 1065 CA ARG A 112 98.691 0.624 -9.486 1.00 69.93 C ATOM 1066 C ARG A 112 98.807 0.030 -10.887 1.00 65.60 C ATOM 1067 O ARG A 112 99.494 0.578 -11.747 1.00 76.31 O ATOM 1068 CB ARG A 112 100.054 0.628 -8.783 1.00 66.08 C ATOM 1069 CG ARG A 112 100.094 1.493 -7.524 1.00 71.96 C ATOM 1070 CD ARG A 112 101.496 1.622 -6.922 1.00 79.55 C ATOM 1071 NE ARG A 112 102.025 0.357 -6.410 1.00 74.44 N ATOM 1072 CZ ARG A 112 102.859 -0.436 -7.075 1.00 78.65 C ATOM 1073 NH1 ARG A 112 103.278 -0.097 -8.287 1.00 75.74 N ATOM 1074 NH2 ARG A 112 103.284 -1.565 -6.523 1.00 63.31 N ATOM 1075 HE ARG A 112 101.728 0.058 -5.459 1.00 0.00 H ATOM 1076 HH12 ARG A 112 103.931 -0.720 -8.805 1.00 0.00 H ATOM 1077 HH11 ARG A 112 102.954 0.792 -8.720 1.00 0.00 H ATOM 1078 HH22 ARG A 112 103.937 -2.185 -7.044 1.00 0.00 H ATOM 1079 HH21 ARG A 112 102.965 -1.830 -5.569 1.00 0.00 H ATOM 1080 H ARG A 112 98.025 -0.936 -8.141 1.00 0.00 H ATOM 1081 N SER A 113 98.134 -1.097 -11.105 1.00 69.02 N ATOM 1082 CA SER A 113 98.014 -1.683 -12.437 1.00 71.99 C ATOM 1083 C SER A 113 96.707 -1.293 -13.118 1.00 74.28 C ATOM 1084 O SER A 113 96.539 -1.499 -14.320 1.00 70.65 O ATOM 1085 CB SER A 113 98.127 -3.206 -12.366 1.00 54.39 C ATOM 1086 OG SER A 113 99.414 -3.598 -11.921 1.00 68.05 O ATOM 1087 HG SER A 113 99.578 -3.224 -11.019 1.00 0.00 H ATOM 1088 H SER A 113 97.679 -1.576 -10.301 1.00 0.00 H ATOM 1089 N GLY A 114 95.777 -0.744 -12.341 1.00 73.14 N ATOM 1090 CA GLY A 114 94.500 -0.309 -12.878 1.00 70.29 C ATOM 1091 C GLY A 114 93.398 -1.334 -12.689 1.00 76.85 C ATOM 1092 O GLY A 114 92.601 -1.573 -13.597 1.00 65.23 O ATOM 1093 H GLY A 114 95.969 -0.624 -11.326 1.00 0.00 H ATOM 1094 N CYS A 115 93.347 -1.939 -11.506 1.00 79.74 N ATOM 1095 CA CYS A 115 92.337 -2.952 -11.197 1.00 78.39 C ATOM 1096 C CYS A 115 91.153 -2.353 -10.452 1.00 77.76 C ATOM 1097 O CYS A 115 91.298 -1.373 -9.718 1.00 61.38 O ATOM 1098 CB CYS A 115 92.932 -4.096 -10.370 1.00 78.18 C ATOM 1099 SG CYS A 115 94.012 -5.226 -11.279 1.00 70.38 S ATOM 1100 H CYS A 115 94.046 -1.685 -10.779 1.00 0.00 H ATOM 1101 N PHE A 116 89.983 -2.947 -10.667 1.00 88.68 N ATOM 1102 CA PHE A 116 88.750 -2.520 -10.019 1.00 80.85 C ATOM 1103 C PHE A 116 88.916 -2.429 -8.506 1.00 85.88 C ATOM 1104 O PHE A 116 89.396 -3.363 -7.862 1.00 83.53 O ATOM 1105 CB PHE A 116 87.618 -3.488 -10.371 1.00 60.83 C ATOM 1106 CG PHE A 116 86.388 -3.321 -9.529 1.00 73.82 C ATOM 1107 CD1 PHE A 116 85.648 -2.151 -9.576 1.00 74.26 C ATOM 1108 CD2 PHE A 116 85.967 -4.343 -8.692 1.00 75.66 C ATOM 1109 CE1 PHE A 116 84.513 -2.002 -8.798 1.00 67.86 C ATOM 1110 CE2 PHE A 116 84.835 -4.200 -7.914 1.00 72.19 C ATOM 1111 CZ PHE A 116 84.107 -3.028 -7.968 1.00 64.93 C ATOM 1112 H PHE A 116 89.946 -3.751 -11.326 1.00 0.00 H ATOM 1113 N GLN A 117 88.526 -1.285 -7.952 1.00 81.57 N ATOM 1114 CA GLN A 117 88.737 -0.993 -6.540 1.00 82.39 C ATOM 1115 C GLN A 117 87.420 -0.989 -5.770 1.00 80.27 C ATOM 1116 O GLN A 117 86.388 -0.565 -6.291 1.00 76.18 O ATOM 1117 CB GLN A 117 89.449 0.356 -6.387 1.00 77.73 C ATOM 1118 CG GLN A 117 89.936 0.668 -4.980 1.00 79.19 C ATOM 1119 CD GLN A 117 91.109 -0.196 -4.559 1.00 80.41 C ATOM 1120 OE1 GLN A 117 91.729 -0.869 -5.384 1.00 86.01 O ATOM 1121 NE2 GLN A 117 91.421 -0.179 -3.269 1.00 71.71 N ATOM 1122 HE22 GLN A 117 90.869 0.405 -2.608 1.00 0.00 H ATOM 1123 HE21 GLN A 117 92.217 -0.749 -2.919 1.00 0.00 H ATOM 1124 H GLN A 117 88.054 -0.574 -8.547 1.00 0.00 H ATOM 1125 N SER A 118 87.461 -1.470 -4.531 1.00 85.34 N ATOM 1126 CA SER A 118 86.284 -1.466 -3.669 1.00 80.62 C ATOM 1127 C SER A 118 86.422 -0.406 -2.584 1.00 71.90 C ATOM 1128 O SER A 118 85.423 0.076 -2.046 1.00 70.19 O ATOM 1129 CB SER A 118 86.070 -2.842 -3.031 1.00 73.89 C ATOM 1130 OG SER A 118 87.033 -3.094 -2.022 1.00 75.84 O ATOM 1131 HG SER A 118 86.871 -3.988 -1.628 1.00 0.00 H ATOM 1132 H SER A 118 88.354 -1.859 -4.167 1.00 0.00 H ATOM 1133 N ASN A 119 87.669 -0.046 -2.284 1.00 68.98 N ATOM 1134 CA ASN A 119 87.996 0.856 -1.183 1.00 60.32 C ATOM 1135 C ASN A 119 87.327 0.413 0.111 1.00 61.29 C ATOM 1136 O ASN A 119 86.791 1.227 0.865 1.00 54.59 O ATOM 1137 CB ASN A 119 87.608 2.297 -1.525 1.00 60.42 C ATOM 1138 CG ASN A 119 88.705 3.032 -2.275 1.00 73.89 C ATOM 1139 OD1 ASN A 119 89.866 3.034 -1.859 1.00 73.92 O ATOM 1140 ND2 ASN A 119 88.344 3.654 -3.392 1.00 70.15 N ATOM 1141 HD22 ASN A 119 87.353 3.626 -3.706 1.00 0.00 H ATOM 1142 HD21 ASN A 119 89.053 4.169 -3.953 1.00 0.00 H ATOM 1143 H ASN A 119 88.447 -0.425 -2.861 1.00 0.00 H ATOM 1144 N ARG A 120 87.360 -0.894 0.350 1.00 74.27 N ATOM 1145 CA ARG A 120 86.862 -1.467 1.589 1.00 65.43 C ATOM 1146 C ARG A 120 88.010 -2.071 2.385 1.00 62.71 C ATOM 1147 O ARG A 120 88.944 -2.628 1.810 1.00 68.95 O ATOM 1148 CB ARG A 120 85.788 -2.525 1.312 1.00 63.29 C ATOM 1149 CG ARG A 120 84.408 -1.943 1.057 1.00 64.53 C ATOM 1150 CD ARG A 120 83.307 -2.946 1.369 1.00 58.90 C ATOM 1151 NE ARG A 120 81.986 -2.322 1.340 1.00 75.74 N ATOM 1152 CZ ARG A 120 80.848 -2.964 1.583 1.00 80.83 C ATOM 1153 NH1 ARG A 120 79.694 -2.313 1.533 1.00 74.73 N ATOM 1154 NH2 ARG A 120 80.863 -4.258 1.875 1.00 69.38 N ATOM 1155 HE ARG A 120 81.933 -1.308 1.114 1.00 0.00 H ATOM 1156 HH12 ARG A 120 78.804 -2.817 1.723 1.00 0.00 H ATOM 1157 HH11 ARG A 120 79.679 -1.299 1.303 1.00 0.00 H ATOM 1158 HH22 ARG A 120 79.971 -4.759 2.065 1.00 0.00 H ATOM 1159 HH21 ARG A 120 81.766 -4.772 1.914 1.00 0.00 H ATOM 1160 H ARG A 120 87.755 -1.528 -0.374 1.00 0.00 H ATOM 1161 N PRO A 121 87.946 -1.946 3.717 1.00 72.94 N ATOM 1162 CA PRO A 121 88.931 -2.508 4.647 1.00 70.90 C ATOM 1163 C PRO A 121 89.169 -3.997 4.417 1.00 65.88 C ATOM 1164 O PRO A 121 88.260 -4.696 3.968 1.00 62.75 O ATOM 1165 CB PRO A 121 88.295 -2.266 6.018 1.00 71.76 C ATOM 1166 CG PRO A 121 87.418 -1.084 5.818 1.00 73.12 C ATOM 1167 CD PRO A 121 86.872 -1.226 4.427 1.00 73.05 C ATOM 1168 N PHE A 122 90.374 -4.472 4.711 1.00 58.63 N ATOM 1169 CA PHE A 122 90.706 -5.872 4.483 1.00 50.24 C ATOM 1170 C PHE A 122 90.314 -6.697 5.692 1.00 55.54 C ATOM 1171 O PHE A 122 90.896 -6.567 6.771 1.00 53.16 O ATOM 1172 CB PHE A 122 92.196 -6.052 4.203 1.00 46.50 C ATOM 1173 CG PHE A 122 92.618 -7.489 4.082 1.00 48.31 C ATOM 1174 CD1 PHE A 122 92.100 -8.303 3.086 1.00 38.39 C ATOM 1175 CD2 PHE A 122 93.520 -8.031 4.984 1.00 47.08 C ATOM 1176 CE1 PHE A 122 92.489 -9.628 2.985 1.00 36.87 C ATOM 1177 CE2 PHE A 122 93.910 -9.352 4.889 1.00 38.76 C ATOM 1178 CZ PHE A 122 93.395 -10.152 3.889 1.00 38.77 C ATOM 1179 H PHE A 122 91.092 -3.834 5.110 1.00 0.00 H ATOM 1180 N HIS A 123 89.312 -7.546 5.499 1.00 48.96 N ATOM 1181 CA HIS A 123 88.853 -8.442 6.547 1.00 45.82 C ATOM 1182 C HIS A 123 89.133 -9.882 6.152 1.00 42.91 C ATOM 1183 O HIS A 123 88.333 -10.503 5.451 1.00 47.07 O ATOM 1184 CB HIS A 123 87.359 -8.248 6.808 1.00 49.19 C ATOM 1185 CG HIS A 123 86.971 -6.831 7.101 1.00 70.55 C ATOM 1186 ND1 HIS A 123 87.046 -6.284 8.364 1.00 77.11 N ATOM 1187 CD2 HIS A 123 86.495 -5.852 6.295 1.00 73.00 C ATOM 1188 CE1 HIS A 123 86.638 -5.028 8.323 1.00 70.65 C ATOM 1189 NE2 HIS A 123 86.298 -4.741 7.079 1.00 81.85 N ATOM 1190 H HIS A 123 88.842 -7.571 4.572 1.00 0.00 H ATOM 1191 N PRO A 124 90.284 -10.413 6.591 1.00 41.12 N ATOM 1192 CA PRO A 124 90.684 -11.786 6.272 1.00 41.67 C ATOM 1193 C PRO A 124 89.647 -12.786 6.767 1.00 39.51 C ATOM 1194 O PRO A 124 89.383 -12.862 7.968 1.00 35.42 O ATOM 1195 CB PRO A 124 92.016 -11.951 7.012 1.00 41.95 C ATOM 1196 CG PRO A 124 92.019 -10.878 8.051 1.00 38.54 C ATOM 1197 CD PRO A 124 91.268 -9.737 7.453 1.00 41.79 C ATOM 1198 N HIS A 125 89.056 -13.531 5.840 1.00 34.08 N ATOM 1199 CA HIS A 125 87.993 -14.462 6.183 1.00 32.27 C ATOM 1200 C HIS A 125 87.908 -15.612 5.191 1.00 26.76 C ATOM 1201 O HIS A 125 88.346 -15.492 4.049 1.00 30.90 O ATOM 1202 CB HIS A 125 86.646 -13.733 6.245 1.00 40.09 C ATOM 1203 CG HIS A 125 86.141 -13.277 4.909 1.00 34.21 C ATOM 1204 ND1 HIS A 125 86.535 -12.090 4.329 1.00 38.03 N ATOM 1205 CD2 HIS A 125 85.276 -13.851 4.039 1.00 31.22 C ATOM 1206 CE1 HIS A 125 85.933 -11.951 3.160 1.00 27.50 C ATOM 1207 NE2 HIS A 125 85.165 -13.007 2.961 1.00 37.30 N ATOM 1208 H HIS A 125 89.360 -13.447 4.849 1.00 0.00 H ATOM 1209 N ILE A 126 87.337 -16.724 5.640 1.00 30.13 N ATOM 1210 CA ILE A 126 87.052 -17.851 4.766 1.00 29.05 C ATOM 1211 C ILE A 126 85.543 -18.055 4.726 1.00 29.26 C ATOM 1212 O ILE A 126 84.927 -18.392 5.739 1.00 28.61 O ATOM 1213 CB ILE A 126 87.752 -19.143 5.244 1.00 30.76 C ATOM 1214 CG1 ILE A 126 89.255 -18.908 5.429 1.00 26.70 C ATOM 1215 CG2 ILE A 126 87.513 -20.278 4.263 1.00 26.20 C ATOM 1216 CD1 ILE A 126 89.920 -19.917 6.337 1.00 19.45 C ATOM 1217 H ILE A 126 87.086 -16.791 6.647 1.00 0.00 H ATOM 1218 N THR A 127 84.948 -17.837 3.557 1.00 32.09 N ATOM 1219 CA THR A 127 83.497 -17.909 3.416 1.00 32.25 C ATOM 1220 C THR A 127 83.026 -19.357 3.426 1.00 31.51 C ATOM 1221 O THR A 127 83.518 -20.185 2.655 1.00 31.32 O ATOM 1222 CB THR A 127 83.015 -17.220 2.119 1.00 26.28 C ATOM 1223 OG1 THR A 127 83.346 -15.826 2.162 1.00 33.72 O ATOM 1224 CG2 THR A 127 81.510 -17.366 1.959 1.00 24.74 C ATOM 1225 HG1 THR A 127 83.036 -15.389 1.330 1.00 0.00 H ATOM 1226 H THR A 127 85.529 -17.610 2.725 1.00 0.00 H ATOM 1227 N LEU A 128 82.070 -19.652 4.302 1.00 27.46 N ATOM 1228 CA LEU A 128 81.526 -20.998 4.443 1.00 28.63 C ATOM 1229 C LEU A 128 80.162 -21.085 3.778 1.00 16.79 C ATOM 1230 O LEU A 128 79.848 -22.068 3.106 1.00 20.89 O ATOM 1231 CB LEU A 128 81.403 -21.382 5.917 1.00 28.98 C ATOM 1232 CG LEU A 128 82.623 -21.169 6.813 1.00 31.94 C ATOM 1233 CD1 LEU A 128 82.276 -21.480 8.258 1.00 33.28 C ATOM 1234 CD2 LEU A 128 83.775 -22.037 6.346 1.00 38.50 C ATOM 1235 H LEU A 128 81.696 -18.895 4.909 1.00 0.00 H ATOM 1236 N LEU A 129 79.354 -20.051 3.975 1.00 22.22 N ATOM 1237 CA LEU A 129 78.011 -20.019 3.415 1.00 26.91 C ATOM 1238 C LEU A 129 77.820 -18.774 2.559 1.00 27.04 C ATOM 1239 O LEU A 129 78.234 -17.678 2.941 1.00 32.12 O ATOM 1240 CB LEU A 129 76.968 -20.059 4.532 1.00 25.13 C ATOM 1241 CG LEU A 129 76.803 -21.395 5.264 1.00 21.17 C ATOM 1242 CD1 LEU A 129 75.682 -21.314 6.289 1.00 30.60 C ATOM 1243 CD2 LEU A 129 76.536 -22.518 4.277 1.00 28.19 C ATOM 1244 H LEU A 129 79.688 -19.246 4.542 1.00 0.00 H ATOM 1245 N ARG A 130 77.200 -18.944 1.397 1.00 34.72 N ATOM 1246 CA ARG A 130 76.807 -17.805 0.577 1.00 30.78 C ATOM 1247 C ARG A 130 75.291 -17.725 0.547 1.00 32.05 C ATOM 1248 O ARG A 130 74.610 -18.711 0.845 1.00 35.70 O ATOM 1249 CB ARG A 130 77.378 -17.915 -0.840 1.00 31.17 C ATOM 1250 CG ARG A 130 78.896 -18.041 -0.870 1.00 24.36 C ATOM 1251 CD ARG A 130 79.476 -17.601 -2.200 1.00 20.60 C ATOM 1252 NE ARG A 130 80.929 -17.766 -2.241 1.00 40.19 N ATOM 1253 CZ ARG A 130 81.805 -16.835 -1.868 1.00 33.98 C ATOM 1254 NH1 ARG A 130 81.382 -15.663 -1.414 1.00 38.55 N ATOM 1255 NH2 ARG A 130 83.105 -17.079 -1.947 1.00 41.29 N ATOM 1256 HE ARG A 130 81.304 -18.673 -2.585 1.00 0.00 H ATOM 1257 HH12 ARG A 130 82.070 -14.939 -1.124 1.00 0.00 H ATOM 1258 HH11 ARG A 130 80.363 -15.468 -1.348 1.00 0.00 H ATOM 1259 HH22 ARG A 130 83.789 -16.352 -1.656 1.00 0.00 H ATOM 1260 HH21 ARG A 130 83.441 -17.998 -2.300 1.00 0.00 H ATOM 1261 H ARG A 130 76.991 -19.908 1.066 1.00 0.00 H ATOM 1262 N ASP A 131 74.774 -16.550 0.192 1.00 36.24 N ATOM 1263 CA ASP A 131 73.336 -16.299 0.164 1.00 30.00 C ATOM 1264 C ASP A 131 72.696 -16.547 1.528 1.00 32.20 C ATOM 1265 O ASP A 131 71.576 -17.054 1.607 1.00 34.69 O ATOM 1266 CB ASP A 131 72.653 -17.177 -0.893 1.00 25.65 C ATOM 1267 CG ASP A 131 73.185 -16.928 -2.291 1.00 52.61 C ATOM 1268 OD1 ASP A 131 73.343 -17.911 -3.043 1.00 62.80 O ATOM 1269 OD2 ASP A 131 73.459 -15.758 -2.634 1.00 65.75 O ATOM 1270 H ASP A 131 75.420 -15.781 -0.076 1.00 0.00 H ATOM 1271 N ALA A 132 73.398 -16.203 2.604 1.00 42.43 N ATOM 1272 CA ALA A 132 72.793 -16.334 3.922 1.00 46.88 C ATOM 1273 C ALA A 132 71.959 -15.094 4.209 1.00 51.45 C ATOM 1274 O ALA A 132 72.466 -13.973 4.183 1.00 50.50 O ATOM 1275 CB ALA A 132 73.861 -16.523 4.987 1.00 34.83 C ATOM 1276 H ALA A 132 74.369 -15.844 2.505 1.00 0.00 H ATOM 1277 N SER A 133 70.686 -15.306 4.519 1.00 59.26 N ATOM 1278 CA SER A 133 69.751 -14.207 4.716 1.00 53.40 C ATOM 1279 C SER A 133 69.360 -14.074 6.177 1.00 47.67 C ATOM 1280 O SER A 133 69.533 -13.021 6.790 1.00 50.19 O ATOM 1281 CB SER A 133 68.506 -14.408 3.853 1.00 49.18 C ATOM 1282 OG SER A 133 68.857 -14.552 2.486 1.00 52.17 O ATOM 1283 HG SER A 133 68.036 -14.681 1.948 1.00 0.00 H ATOM 1284 H SER A 133 70.347 -16.284 4.624 1.00 0.00 H ATOM 1285 N GLU A 134 68.818 -15.158 6.719 1.00 56.84 N ATOM 1286 CA GLU A 134 68.382 -15.203 8.107 1.00 65.36 C ATOM 1287 C GLU A 134 69.549 -15.137 9.090 1.00 52.34 C ATOM 1288 O GLU A 134 70.611 -15.723 8.872 1.00 51.34 O ATOM 1289 CB GLU A 134 67.536 -16.454 8.362 1.00 69.89 C ATOM 1290 CG GLU A 134 68.254 -17.776 8.144 1.00 70.57 C ATOM 1291 CD GLU A 134 67.406 -18.960 8.567 1.00 74.21 C ATOM 1292 OE1 GLU A 134 67.586 -20.058 8.002 1.00 60.11 O ATOM 1293 OE2 GLU A 134 66.556 -18.793 9.469 1.00 86.74 O ATOM 1294 H GLU A 134 68.701 -16.007 6.130 1.00 0.00 H ATOM 1295 N ALA A 135 69.332 -14.393 10.167 1.00 47.38 N ATOM 1296 CA ALA A 135 70.337 -14.172 11.197 1.00 53.84 C ATOM 1297 C ALA A 135 70.527 -15.393 12.089 1.00 51.09 C ATOM 1298 O ALA A 135 70.188 -15.351 13.274 1.00 58.15 O ATOM 1299 CB ALA A 135 69.965 -12.963 12.038 1.00 51.14 C ATOM 1300 H ALA A 135 68.400 -13.946 10.281 1.00 0.00 H ATOM 1301 N VAL A 136 71.018 -16.488 11.506 1.00 44.37 N ATOM 1302 CA VAL A 136 71.234 -17.741 12.234 1.00 46.60 C ATOM 1303 C VAL A 136 72.180 -17.574 13.428 1.00 51.77 C ATOM 1304 O VAL A 136 72.540 -16.458 13.805 1.00 58.96 O ATOM 1305 CB VAL A 136 71.801 -18.844 11.307 1.00 47.41 C ATOM 1306 CG1 VAL A 136 70.755 -19.287 10.296 1.00 43.04 C ATOM 1307 CG2 VAL A 136 73.066 -18.362 10.606 1.00 41.89 C ATOM 1308 H VAL A 136 71.257 -16.451 10.495 1.00 0.00 H ATOM 1309 N THR A 137 72.652 -18.685 13.979 1.00 43.47 N ATOM 1310 CA THR A 137 73.474 -18.610 15.181 1.00 40.62 C ATOM 1311 C THR A 137 74.814 -19.276 14.939 1.00 45.49 C ATOM 1312 O THR A 137 74.887 -20.385 14.409 1.00 40.11 O ATOM 1313 CB THR A 137 72.780 -19.273 16.392 1.00 49.44 C ATOM 1314 OG1 THR A 137 72.566 -20.665 16.122 1.00 56.80 O ATOM 1315 CG2 THR A 137 71.443 -18.606 16.674 1.00 49.45 C ATOM 1316 HG1 THR A 137 73.437 -21.106 15.960 1.00 0.00 H ATOM 1317 H THR A 137 72.436 -19.609 13.554 1.00 0.00 H ATOM 1318 N ILE A 138 75.875 -18.575 15.327 1.00 44.74 N ATOM 1319 CA ILE A 138 77.226 -19.006 15.012 1.00 38.26 C ATOM 1320 C ILE A 138 77.943 -19.637 16.194 1.00 35.85 C ATOM 1321 O ILE A 138 78.270 -18.960 17.169 1.00 45.51 O ATOM 1322 CB ILE A 138 78.070 -17.818 14.510 1.00 38.03 C ATOM 1323 CG1 ILE A 138 77.365 -17.111 13.349 1.00 46.39 C ATOM 1324 CG2 ILE A 138 79.467 -18.275 14.123 1.00 30.05 C ATOM 1325 CD1 ILE A 138 77.096 -18.007 12.159 1.00 39.66 C ATOM 1326 H ILE A 138 75.735 -17.698 15.868 1.00 0.00 H ATOM 1327 N PRO A 139 78.194 -20.950 16.103 1.00 33.56 N ATOM 1328 CA PRO A 139 78.974 -21.691 17.095 1.00 36.05 C ATOM 1329 C PRO A 139 80.442 -21.323 16.963 1.00 27.13 C ATOM 1330 O PRO A 139 80.838 -20.833 15.905 1.00 20.40 O ATOM 1331 CB PRO A 139 78.733 -23.161 16.720 1.00 26.91 C ATOM 1332 CG PRO A 139 77.581 -23.143 15.754 1.00 35.75 C ATOM 1333 CD PRO A 139 77.671 -21.835 15.052 1.00 25.71 C ATOM 1334 N PRO A 140 81.242 -21.546 18.014 1.00 28.77 N ATOM 1335 CA PRO A 140 82.677 -21.317 17.835 1.00 30.28 C ATOM 1336 C PRO A 140 83.242 -22.343 16.858 1.00 28.09 C ATOM 1337 O PRO A 140 82.650 -23.413 16.701 1.00 32.38 O ATOM 1338 CB PRO A 140 83.241 -21.506 19.245 1.00 22.51 C ATOM 1339 CG PRO A 140 82.281 -22.448 19.892 1.00 28.64 C ATOM 1340 CD PRO A 140 80.928 -22.058 19.359 1.00 25.37 C ATOM 1341 N PRO A 141 84.363 -22.024 16.195 1.00 26.20 N ATOM 1342 CA PRO A 141 84.964 -22.986 15.263 1.00 30.51 C ATOM 1343 C PRO A 141 85.493 -24.229 15.970 1.00 24.40 C ATOM 1344 O PRO A 141 85.522 -24.273 17.199 1.00 23.90 O ATOM 1345 CB PRO A 141 86.107 -22.190 14.626 1.00 29.67 C ATOM 1346 CG PRO A 141 86.443 -21.151 15.634 1.00 25.53 C ATOM 1347 CD PRO A 141 85.139 -20.774 16.275 1.00 26.48 C ATOM 1348 N GLY A 142 85.907 -25.229 15.200 1.00 24.39 N ATOM 1349 CA GLY A 142 86.447 -26.445 15.778 1.00 19.72 C ATOM 1350 C GLY A 142 87.778 -26.198 16.458 1.00 26.31 C ATOM 1351 O GLY A 142 88.321 -25.095 16.392 1.00 32.52 O ATOM 1352 H GLY A 142 85.843 -25.139 14.166 1.00 0.00 H ATOM 1353 N PHE A 143 88.310 -27.225 17.110 1.00 26.22 N ATOM 1354 CA PHE A 143 89.556 -27.087 17.849 1.00 25.45 C ATOM 1355 C PHE A 143 90.775 -27.309 16.964 1.00 21.84 C ATOM 1356 O PHE A 143 90.788 -28.214 16.127 1.00 29.32 O ATOM 1357 CB PHE A 143 89.587 -28.063 19.026 1.00 28.20 C ATOM 1358 CG PHE A 143 90.954 -28.264 19.607 1.00 27.04 C ATOM 1359 CD1 PHE A 143 91.603 -27.232 20.266 1.00 25.78 C ATOM 1360 CD2 PHE A 143 91.593 -29.488 19.492 1.00 26.14 C ATOM 1361 CE1 PHE A 143 92.865 -27.417 20.797 1.00 26.53 C ATOM 1362 CE2 PHE A 143 92.855 -29.680 20.024 1.00 28.72 C ATOM 1363 CZ PHE A 143 93.490 -28.643 20.678 1.00 24.55 C ATOM 1364 H PHE A 143 87.827 -28.146 17.092 1.00 0.00 H ATOM 1365 N ASN A 144 91.783 -26.458 17.147 1.00 24.21 N ATOM 1366 CA ASN A 144 93.098 -26.631 16.533 1.00 28.42 C ATOM 1367 C ASN A 144 93.098 -26.540 15.008 1.00 29.46 C ATOM 1368 O ASN A 144 93.861 -27.238 14.341 1.00 24.58 O ATOM 1369 CB ASN A 144 93.715 -27.964 16.967 1.00 28.03 C ATOM 1370 CG ASN A 144 95.154 -27.816 17.426 1.00 28.64 C ATOM 1371 OD1 ASN A 144 95.583 -26.734 17.834 1.00 27.33 O ATOM 1372 ND2 ASN A 144 95.907 -28.907 17.367 1.00 30.05 N ATOM 1373 HD22 ASN A 144 95.504 -29.799 17.016 1.00 0.00 H ATOM 1374 HD21 ASN A 144 96.901 -28.870 17.672 1.00 0.00 H ATOM 1375 H ASN A 144 91.627 -25.630 17.757 1.00 0.00 H ATOM 1376 N TRP A 145 92.242 -25.683 14.459 1.00 26.24 N ATOM 1377 CA TRP A 145 92.269 -25.396 13.029 1.00 24.41 C ATOM 1378 C TRP A 145 93.409 -24.428 12.739 1.00 28.20 C ATOM 1379 O TRP A 145 93.190 -23.245 12.471 1.00 28.17 O ATOM 1380 CB TRP A 145 90.927 -24.826 12.560 1.00 24.34 C ATOM 1381 CG TRP A 145 89.817 -25.830 12.624 1.00 26.81 C ATOM 1382 CD1 TRP A 145 89.927 -27.145 12.973 1.00 27.76 C ATOM 1383 CD2 TRP A 145 88.428 -25.606 12.342 1.00 18.66 C ATOM 1384 NE1 TRP A 145 88.698 -27.754 12.919 1.00 28.48 N ATOM 1385 CE2 TRP A 145 87.760 -26.831 12.536 1.00 24.46 C ATOM 1386 CE3 TRP A 145 87.684 -24.491 11.944 1.00 27.18 C ATOM 1387 CZ2 TRP A 145 86.385 -26.974 12.344 1.00 24.11 C ATOM 1388 CZ3 TRP A 145 86.319 -24.635 11.756 1.00 28.59 C ATOM 1389 CH2 TRP A 145 85.685 -25.866 11.956 1.00 25.30 C ATOM 1390 HE1 TRP A 145 88.509 -28.754 13.134 1.00 0.00 H ATOM 1391 H TRP A 145 91.539 -25.208 15.061 1.00 0.00 H ATOM 1392 N SER A 146 94.631 -24.946 12.811 1.00 27.13 N ATOM 1393 CA SER A 146 95.833 -24.128 12.726 1.00 24.38 C ATOM 1394 C SER A 146 96.864 -24.778 11.814 1.00 25.06 C ATOM 1395 O SER A 146 97.184 -25.958 11.974 1.00 21.79 O ATOM 1396 CB SER A 146 96.419 -23.905 14.123 1.00 23.41 C ATOM 1397 OG SER A 146 97.600 -23.124 14.076 1.00 29.03 O ATOM 1398 HG SER A 146 97.395 -22.241 13.679 1.00 0.00 H ATOM 1399 H SER A 146 94.733 -25.974 12.933 1.00 0.00 H ATOM 1400 N TYR A 147 97.384 -24.008 10.861 1.00 26.08 N ATOM 1401 CA TYR A 147 98.341 -24.538 9.896 1.00 28.24 C ATOM 1402 C TYR A 147 99.345 -23.486 9.438 1.00 27.25 C ATOM 1403 O TYR A 147 99.123 -22.285 9.603 1.00 24.78 O ATOM 1404 CB TYR A 147 97.612 -25.109 8.677 1.00 21.99 C ATOM 1405 CG TYR A 147 96.901 -24.072 7.834 1.00 27.48 C ATOM 1406 CD1 TYR A 147 97.474 -23.591 6.666 1.00 26.16 C ATOM 1407 CD2 TYR A 147 95.662 -23.569 8.210 1.00 32.09 C ATOM 1408 CE1 TYR A 147 96.831 -22.646 5.891 1.00 29.63 C ATOM 1409 CE2 TYR A 147 95.012 -22.624 7.440 1.00 35.22 C ATOM 1410 CZ TYR A 147 95.602 -22.166 6.283 1.00 28.59 C ATOM 1411 OH TYR A 147 94.962 -21.223 5.511 1.00 29.60 O ATOM 1412 HH TYR A 147 95.522 -21.008 4.723 1.00 0.00 H ATOM 1413 H TYR A 147 97.102 -23.009 10.803 1.00 0.00 H ATOM 1414 N ALA A 148 100.443 -23.948 8.849 1.00 22.36 N ATOM 1415 CA ALA A 148 101.484 -23.056 8.359 1.00 27.53 C ATOM 1416 C ALA A 148 101.230 -22.655 6.910 1.00 22.43 C ATOM 1417 O ALA A 148 100.973 -23.511 6.061 1.00 25.45 O ATOM 1418 CB ALA A 148 102.848 -23.714 8.493 1.00 19.11 C ATOM 1419 H ALA A 148 100.562 -24.975 8.735 1.00 0.00 H ATOM 1420 N VAL A 149 101.300 -21.355 6.633 1.00 19.48 N ATOM 1421 CA VAL A 149 101.132 -20.854 5.272 1.00 21.74 C ATOM 1422 C VAL A 149 102.470 -20.837 4.542 1.00 26.30 C ATOM 1423 O VAL A 149 103.416 -20.175 4.978 1.00 27.77 O ATOM 1424 CB VAL A 149 100.528 -19.435 5.261 1.00 26.30 C ATOM 1425 CG1 VAL A 149 100.408 -18.911 3.838 1.00 26.10 C ATOM 1426 CG2 VAL A 149 99.176 -19.428 5.955 1.00 26.00 C ATOM 1427 H VAL A 149 101.479 -20.680 7.404 1.00 0.00 H ATOM 1428 N THR A 150 102.544 -21.562 3.430 1.00 27.39 N ATOM 1429 CA THR A 150 103.803 -21.735 2.712 1.00 27.82 C ATOM 1430 C THR A 150 103.808 -21.014 1.369 1.00 29.79 C ATOM 1431 O THR A 150 104.872 -20.753 0.800 1.00 29.97 O ATOM 1432 CB THR A 150 104.107 -23.227 2.467 1.00 27.93 C ATOM 1433 OG1 THR A 150 103.064 -23.803 1.667 1.00 24.48 O ATOM 1434 CG2 THR A 150 104.188 -23.974 3.789 1.00 19.60 C ATOM 1435 HG1 THR A 150 103.260 -24.761 1.511 1.00 0.00 H ATOM 1436 H THR A 150 101.684 -22.017 3.063 1.00 0.00 H ATOM 1437 N GLU A 151 102.620 -20.690 0.866 1.00 30.70 N ATOM 1438 CA GLU A 151 102.501 -20.058 -0.446 1.00 31.44 C ATOM 1439 C GLU A 151 101.157 -19.354 -0.623 1.00 26.75 C ATOM 1440 O GLU A 151 100.226 -19.569 0.156 1.00 39.23 O ATOM 1441 CB GLU A 151 102.694 -21.100 -1.554 1.00 27.00 C ATOM 1442 CG GLU A 151 101.727 -22.275 -1.467 1.00 24.18 C ATOM 1443 CD GLU A 151 102.100 -23.411 -2.401 1.00 27.34 C ATOM 1444 OE1 GLU A 151 103.252 -23.441 -2.885 1.00 35.66 O ATOM 1445 OE2 GLU A 151 101.233 -24.272 -2.660 1.00 32.64 O ATOM 1446 H GLU A 151 101.761 -20.890 1.416 1.00 0.00 H ATOM 1447 N PHE A 152 101.063 -18.515 -1.652 1.00 31.86 N ATOM 1448 CA PHE A 152 99.790 -17.928 -2.061 1.00 33.26 C ATOM 1449 C PHE A 152 99.619 -18.092 -3.567 1.00 31.47 C ATOM 1450 O PHE A 152 100.602 -18.169 -4.305 1.00 34.19 O ATOM 1451 CB PHE A 152 99.697 -16.451 -1.651 1.00 37.16 C ATOM 1452 CG PHE A 152 100.670 -15.549 -2.362 1.00 35.39 C ATOM 1453 CD1 PHE A 152 100.299 -14.868 -3.512 1.00 36.00 C ATOM 1454 CD2 PHE A 152 101.948 -15.362 -1.862 1.00 31.57 C ATOM 1455 CE1 PHE A 152 101.192 -14.031 -4.156 1.00 38.62 C ATOM 1456 CE2 PHE A 152 102.844 -14.527 -2.502 1.00 32.68 C ATOM 1457 CZ PHE A 152 102.464 -13.860 -3.650 1.00 35.44 C ATOM 1458 H PHE A 152 101.924 -18.270 -2.182 1.00 0.00 H ATOM 1459 N THR A 153 98.371 -18.143 -4.018 1.00 31.65 N ATOM 1460 CA THR A 153 98.074 -18.538 -5.390 1.00 26.03 C ATOM 1461 C THR A 153 97.190 -17.531 -6.124 1.00 36.75 C ATOM 1462 O THR A 153 96.268 -16.957 -5.537 1.00 37.41 O ATOM 1463 CB THR A 153 97.390 -19.924 -5.408 1.00 24.43 C ATOM 1464 OG1 THR A 153 98.197 -20.866 -4.690 1.00 33.54 O ATOM 1465 CG2 THR A 153 97.184 -20.421 -6.830 1.00 31.88 C ATOM 1466 HG1 THR A 153 97.757 -21.753 -4.703 1.00 0.00 H ATOM 1467 H THR A 153 97.589 -17.896 -3.379 1.00 0.00 H ATOM 1468 N LEU A 154 97.483 -17.314 -7.404 1.00 35.12 N ATOM 1469 CA LEU A 154 96.611 -16.537 -8.281 1.00 33.67 C ATOM 1470 C LEU A 154 95.584 -17.462 -8.925 1.00 31.77 C ATOM 1471 O LEU A 154 95.947 -18.396 -9.643 1.00 34.97 O ATOM 1472 CB LEU A 154 97.423 -15.814 -9.358 1.00 38.67 C ATOM 1473 CG LEU A 154 96.620 -15.051 -10.413 1.00 38.87 C ATOM 1474 CD1 LEU A 154 95.937 -13.846 -9.793 1.00 38.54 C ATOM 1475 CD2 LEU A 154 97.510 -14.627 -11.569 1.00 35.16 C ATOM 1476 H LEU A 154 98.362 -17.711 -7.793 1.00 0.00 H ATOM 1477 N TYR A 155 94.305 -17.203 -8.667 1.00 30.15 N ATOM 1478 CA TYR A 155 93.233 -18.071 -9.150 1.00 34.34 C ATOM 1479 C TYR A 155 92.389 -17.457 -10.264 1.00 36.24 C ATOM 1480 O TYR A 155 92.271 -16.236 -10.371 1.00 34.31 O ATOM 1481 CB TYR A 155 92.318 -18.467 -7.991 1.00 26.41 C ATOM 1482 CG TYR A 155 92.841 -19.611 -7.160 1.00 27.76 C ATOM 1483 CD1 TYR A 155 92.717 -20.922 -7.598 1.00 27.36 C ATOM 1484 CD2 TYR A 155 93.443 -19.385 -5.931 1.00 22.79 C ATOM 1485 CE1 TYR A 155 93.189 -21.974 -6.843 1.00 21.28 C ATOM 1486 CE2 TYR A 155 93.914 -20.431 -5.167 1.00 25.04 C ATOM 1487 CZ TYR A 155 93.786 -21.723 -5.628 1.00 25.77 C ATOM 1488 OH TYR A 155 94.256 -22.769 -4.871 1.00 29.33 O ATOM 1489 HH TYR A 155 93.791 -22.777 -3.997 1.00 0.00 H ATOM 1490 H TYR A 155 94.062 -16.361 -8.107 1.00 0.00 H ATOM 1491 N ALA A 156 91.808 -18.321 -11.091 1.00 31.99 N ATOM 1492 CA ALA A 156 90.832 -17.909 -12.093 1.00 36.94 C ATOM 1493 C ALA A 156 89.446 -18.407 -11.701 1.00 40.51 C ATOM 1494 O ALA A 156 89.288 -19.564 -11.307 1.00 42.43 O ATOM 1495 CB ALA A 156 91.221 -18.439 -13.464 1.00 33.87 C ATOM 1496 H ALA A 156 92.059 -19.328 -11.021 1.00 0.00 H ATOM 1497 N SER A 157 88.442 -17.540 -11.807 1.00 45.17 N ATOM 1498 CA SER A 157 87.088 -17.913 -11.407 1.00 43.69 C ATOM 1499 C SER A 157 86.222 -18.254 -12.616 1.00 41.75 C ATOM 1500 O SER A 157 86.190 -17.513 -13.598 1.00 52.62 O ATOM 1501 CB SER A 157 86.446 -16.781 -10.602 1.00 35.66 C ATOM 1502 OG SER A 157 85.137 -17.121 -10.189 1.00 41.59 O ATOM 1503 HG SER A 157 84.750 -16.371 -9.672 1.00 0.00 H ATOM 1504 H SER A 157 88.624 -16.586 -12.179 1.00 0.00 H ATOM 1505 N SER A 158 85.519 -19.380 -12.528 1.00 44.23 N ATOM 1506 CA SER A 158 84.616 -19.825 -13.587 1.00 46.35 C ATOM 1507 C SER A 158 83.435 -20.614 -13.022 1.00 57.99 C ATOM 1508 O SER A 158 83.428 -20.981 -11.845 1.00 45.58 O ATOM 1509 CB SER A 158 85.367 -20.675 -14.615 1.00 37.80 C ATOM 1510 OG SER A 158 85.695 -21.943 -14.080 1.00 52.14 O ATOM 1511 HG SER A 158 86.270 -21.825 -13.283 1.00 0.00 H ATOM 1512 H SER A 158 85.616 -19.965 -11.674 1.00 0.00 H ATOM 1513 N PHE A 159 82.436 -20.863 -13.863 1.00 68.79 N ATOM 1514 CA PHE A 159 81.278 -21.655 -13.461 1.00 72.65 C ATOM 1515 C PHE A 159 81.071 -22.783 -14.466 1.00 73.82 C ATOM 1516 O PHE A 159 80.810 -22.527 -15.641 1.00 77.61 O ATOM 1517 CB PHE A 159 80.025 -20.781 -13.369 1.00 70.11 C ATOM 1518 CG PHE A 159 78.830 -21.486 -12.785 1.00 79.04 C ATOM 1519 CD1 PHE A 159 78.552 -21.393 -11.431 1.00 82.35 C ATOM 1520 CD2 PHE A 159 77.981 -22.235 -13.589 1.00 77.52 C ATOM 1521 CE1 PHE A 159 77.455 -22.034 -10.887 1.00 76.40 C ATOM 1522 CE2 PHE A 159 76.883 -22.879 -13.049 1.00 79.79 C ATOM 1523 CZ PHE A 159 76.619 -22.774 -11.697 1.00 77.21 C ATOM 1524 H PHE A 159 82.481 -20.484 -14.831 1.00 0.00 H ATOM 1525 N ALA A 160 81.190 -24.027 -14.007 1.00 78.95 N ATOM 1526 CA ALA A 160 81.089 -25.168 -14.911 1.00 83.31 C ATOM 1527 C ALA A 160 80.120 -26.241 -14.419 1.00 83.95 C ATOM 1528 O ALA A 160 80.413 -26.971 -13.468 1.00 78.63 O ATOM 1529 CB ALA A 160 82.465 -25.777 -15.142 1.00 77.25 C ATOM 1530 H ALA A 160 81.357 -24.187 -12.993 1.00 0.00 H ATOM 1531 N ARG A 161 78.969 -26.316 -15.084 1.00 88.47 N ATOM 1532 CA ARG A 161 77.955 -27.340 -14.835 1.00 97.10 C ATOM 1533 C ARG A 161 77.490 -27.361 -13.374 1.00 93.69 C ATOM 1534 O ARG A 161 77.728 -28.322 -12.639 1.00 88.73 O ATOM 1535 CB ARG A 161 78.467 -28.720 -15.262 1.00 98.37 C ATOM 1536 CG ARG A 161 77.351 -29.735 -15.466 1.00101.24 C ATOM 1537 CD ARG A 161 77.878 -31.116 -15.808 1.00111.39 C ATOM 1538 NE ARG A 161 76.825 -32.124 -15.720 1.00109.79 N ATOM 1539 CZ ARG A 161 76.507 -32.776 -14.607 1.00102.16 C ATOM 1540 NH1 ARG A 161 77.166 -32.529 -13.484 1.00100.56 N ATOM 1541 NH2 ARG A 161 75.533 -33.676 -14.619 1.00 92.01 N ATOM 1542 HE ARG A 161 76.290 -32.346 -16.584 1.00 0.00 H ATOM 1543 HH12 ARG A 161 76.918 -33.039 -12.612 1.00 0.00 H ATOM 1544 HH11 ARG A 161 77.932 -31.825 -13.474 1.00 0.00 H ATOM 1545 HH22 ARG A 161 75.285 -34.186 -13.747 1.00 0.00 H ATOM 1546 HH21 ARG A 161 75.017 -33.872 -15.500 1.00 0.00 H ATOM 1547 H ARG A 161 78.781 -25.607 -15.821 1.00 0.00 H ATOM 1548 N GLY A 162 76.834 -26.278 -12.971 1.00 80.77 N ATOM 1549 CA GLY A 162 76.215 -26.159 -11.661 1.00 84.45 C ATOM 1550 C GLY A 162 77.124 -25.890 -10.473 1.00 90.12 C ATOM 1551 O GLY A 162 76.650 -25.828 -9.338 1.00 79.30 O ATOM 1552 H GLY A 162 76.760 -25.474 -13.627 1.00 0.00 H ATOM 1553 N ARG A 163 78.421 -25.726 -10.716 1.00 80.20 N ATOM 1554 CA ARG A 163 79.351 -25.412 -9.632 1.00 72.65 C ATOM 1555 C ARG A 163 80.258 -24.231 -9.957 1.00 66.33 C ATOM 1556 O ARG A 163 80.464 -23.885 -11.121 1.00 66.85 O ATOM 1557 CB ARG A 163 80.229 -26.603 -9.238 1.00 83.30 C ATOM 1558 CG ARG A 163 79.505 -27.738 -8.541 1.00 89.67 C ATOM 1559 CD ARG A 163 80.519 -28.641 -7.851 1.00 97.92 C ATOM 1560 NE ARG A 163 81.468 -29.269 -8.763 1.00109.80 N ATOM 1561 CZ ARG A 163 82.556 -29.921 -8.363 1.00104.96 C ATOM 1562 NH1 ARG A 163 83.373 -30.465 -9.253 1.00110.06 N ATOM 1563 NH2 ARG A 163 82.835 -30.016 -7.069 1.00 98.94 N ATOM 1564 HE ARG A 163 81.283 -29.203 -9.784 1.00 0.00 H ATOM 1565 HH12 ARG A 163 84.223 -30.974 -8.936 1.00 0.00 H ATOM 1566 HH11 ARG A 163 83.165 -30.383 -10.269 1.00 0.00 H ATOM 1567 HH22 ARG A 163 83.686 -30.526 -6.757 1.00 0.00 H ATOM 1568 HH21 ARG A 163 82.203 -29.581 -6.367 1.00 0.00 H ATOM 1569 H ARG A 163 78.778 -25.822 -11.688 1.00 0.00 H ATOM 1570 N THR A 164 80.801 -23.623 -8.910 1.00 59.76 N ATOM 1571 CA THR A 164 81.781 -22.561 -9.061 1.00 48.83 C ATOM 1572 C THR A 164 83.134 -23.244 -9.022 1.00 51.36 C ATOM 1573 O THR A 164 83.397 -24.054 -8.132 1.00 61.32 O ATOM 1574 CB THR A 164 81.686 -21.507 -7.944 1.00 37.06 C ATOM 1575 OG1 THR A 164 80.367 -20.948 -7.917 1.00 66.36 O ATOM 1576 CG2 THR A 164 82.698 -20.396 -8.170 1.00 39.10 C ATOM 1577 HG1 THR A 164 80.311 -20.271 -7.197 1.00 0.00 H ATOM 1578 H THR A 164 80.517 -23.915 -7.953 1.00 0.00 H ATOM 1579 N ARG A 165 83.989 -22.936 -9.988 1.00 45.06 N ATOM 1580 CA ARG A 165 85.296 -23.572 -10.044 1.00 45.51 C ATOM 1581 C ARG A 165 86.438 -22.574 -10.113 1.00 45.15 C ATOM 1582 O ARG A 165 86.452 -21.666 -10.947 1.00 44.06 O ATOM 1583 CB ARG A 165 85.362 -24.523 -11.241 1.00 52.44 C ATOM 1584 CG ARG A 165 84.460 -25.742 -11.115 1.00 62.20 C ATOM 1585 CD ARG A 165 84.515 -26.607 -12.365 1.00 82.57 C ATOM 1586 NE ARG A 165 85.866 -27.073 -12.661 1.00 93.16 N ATOM 1587 CZ ARG A 165 86.610 -26.604 -13.658 1.00 82.53 C ATOM 1588 NH1 ARG A 165 86.128 -25.662 -14.457 1.00 72.00 N ATOM 1589 NH2 ARG A 165 87.832 -27.079 -13.860 1.00 79.74 N ATOM 1590 HE ARG A 165 86.271 -27.816 -12.056 1.00 0.00 H ATOM 1591 HH12 ARG A 165 86.709 -25.294 -15.237 1.00 0.00 H ATOM 1592 HH11 ARG A 165 85.169 -25.291 -14.304 1.00 0.00 H ATOM 1593 HH22 ARG A 165 88.411 -26.710 -14.641 1.00 0.00 H ATOM 1594 HH21 ARG A 165 88.211 -27.821 -13.237 1.00 0.00 H ATOM 1595 H ARG A 165 83.723 -22.236 -10.710 1.00 0.00 H ATOM 1596 N TYR A 166 87.395 -22.766 -9.214 1.00 36.30 N ATOM 1597 CA TYR A 166 88.595 -21.955 -9.167 1.00 37.14 C ATOM 1598 C TYR A 166 89.726 -22.741 -9.808 1.00 31.40 C ATOM 1599 O TYR A 166 89.971 -23.895 -9.453 1.00 31.14 O ATOM 1600 CB TYR A 166 88.926 -21.580 -7.721 1.00 33.47 C ATOM 1601 CG TYR A 166 87.821 -20.803 -7.042 1.00 27.92 C ATOM 1602 CD1 TYR A 166 87.295 -19.659 -7.625 1.00 32.95 C ATOM 1603 CD2 TYR A 166 87.292 -21.223 -5.830 1.00 32.95 C ATOM 1604 CE1 TYR A 166 86.283 -18.945 -7.013 1.00 37.59 C ATOM 1605 CE2 TYR A 166 86.278 -20.517 -5.211 1.00 39.11 C ATOM 1606 CZ TYR A 166 85.778 -19.378 -5.807 1.00 42.72 C ATOM 1607 OH TYR A 166 84.768 -18.669 -5.197 1.00 40.29 O ATOM 1608 HH TYR A 166 84.531 -17.887 -5.756 1.00 0.00 H ATOM 1609 H TYR A 166 87.279 -23.528 -8.516 1.00 0.00 H ATOM 1610 N THR A 167 90.410 -22.118 -10.758 1.00 28.67 N ATOM 1611 CA THR A 167 91.499 -22.782 -11.455 1.00 34.90 C ATOM 1612 C THR A 167 92.814 -22.125 -11.077 1.00 29.32 C ATOM 1613 O THR A 167 92.979 -20.915 -11.235 1.00 34.79 O ATOM 1614 CB THR A 167 91.306 -22.732 -12.985 1.00 37.40 C ATOM 1615 OG1 THR A 167 90.041 -23.311 -13.333 1.00 40.33 O ATOM 1616 CG2 THR A 167 92.415 -23.494 -13.692 1.00 26.85 C ATOM 1617 HG1 THR A 167 89.923 -23.276 -14.315 1.00 0.00 H ATOM 1618 H THR A 167 90.163 -21.139 -11.008 1.00 0.00 H ATOM 1619 N PRO A 168 93.755 -22.923 -10.558 1.00 29.61 N ATOM 1620 CA PRO A 168 95.058 -22.381 -10.164 1.00 31.66 C ATOM 1621 C PRO A 168 95.910 -22.049 -11.382 1.00 25.80 C ATOM 1622 O PRO A 168 95.964 -22.841 -12.325 1.00 26.64 O ATOM 1623 CB PRO A 168 95.676 -23.521 -9.348 1.00 26.62 C ATOM 1624 CG PRO A 168 95.048 -24.760 -9.910 1.00 26.92 C ATOM 1625 CD PRO A 168 93.649 -24.372 -10.303 1.00 26.38 C ATOM 1626 N LEU A 169 96.552 -20.886 -11.371 1.00 24.34 N ATOM 1627 CA LEU A 169 97.366 -20.469 -12.506 1.00 28.65 C ATOM 1628 C LEU A 169 98.847 -20.444 -12.134 1.00 40.20 C ATOM 1629 O LEU A 169 99.675 -21.064 -12.800 1.00 43.13 O ATOM 1630 CB LEU A 169 96.915 -19.097 -13.007 1.00 28.32 C ATOM 1631 CG LEU A 169 95.438 -19.001 -13.399 1.00 19.33 C ATOM 1632 CD1 LEU A 169 95.084 -17.588 -13.831 1.00 24.87 C ATOM 1633 CD2 LEU A 169 95.110 -19.985 -14.506 1.00 25.50 C ATOM 1634 H LEU A 169 96.473 -20.264 -10.541 1.00 0.00 H ATOM 1635 N LYS A 170 99.172 -19.719 -11.067 1.00 36.28 N ATOM 1636 CA LYS A 170 100.548 -19.600 -10.590 1.00 36.70 C ATOM 1637 C LYS A 170 100.590 -19.521 -9.066 1.00 44.19 C ATOM 1638 O LYS A 170 99.671 -18.993 -8.440 1.00 41.74 O ATOM 1639 CB LYS A 170 101.234 -18.374 -11.207 1.00 37.22 C ATOM 1640 CG LYS A 170 101.470 -18.477 -12.708 1.00 48.76 C ATOM 1641 CD LYS A 170 101.973 -17.171 -13.296 1.00 55.56 C ATOM 1642 CE LYS A 170 102.011 -17.247 -14.815 1.00 54.87 C ATOM 1643 NZ LYS A 170 100.810 -17.935 -15.369 1.00 52.37 N ATOM 1644 HZ1 LYS A 170 100.764 -18.905 -14.995 1.00 0.00 H ATOM 1645 HZ2 LYS A 170 99.954 -17.414 -15.090 1.00 0.00 H ATOM 1646 HZ3 LYS A 170 100.877 -17.965 -16.406 1.00 0.00 H ATOM 1647 H LYS A 170 98.419 -19.218 -10.553 1.00 0.00 H ATOM 1648 N ARG A 171 101.658 -20.051 -8.475 1.00 44.26 N ATOM 1649 CA ARG A 171 101.847 -19.988 -7.026 1.00 41.82 C ATOM 1650 C ARG A 171 103.202 -19.387 -6.669 1.00 38.88 C ATOM 1651 O ARG A 171 104.186 -19.577 -7.386 1.00 29.97 O ATOM 1652 CB ARG A 171 101.729 -21.381 -6.391 1.00 38.17 C ATOM 1653 CG ARG A 171 100.474 -22.160 -6.754 1.00 36.34 C ATOM 1654 CD ARG A 171 100.381 -23.429 -5.917 1.00 29.99 C ATOM 1655 NE ARG A 171 99.392 -24.373 -6.434 1.00 31.29 N ATOM 1656 CZ ARG A 171 98.120 -24.409 -6.051 1.00 28.46 C ATOM 1657 NH1 ARG A 171 97.671 -23.546 -5.150 1.00 27.91 N ATOM 1658 NH2 ARG A 171 97.296 -25.309 -6.571 1.00 22.72 N ATOM 1659 HE ARG A 171 99.704 -25.061 -7.148 1.00 0.00 H ATOM 1660 HH12 ARG A 171 96.675 -23.576 -4.852 1.00 0.00 H ATOM 1661 HH11 ARG A 171 98.315 -22.839 -4.741 1.00 0.00 H ATOM 1662 HH22 ARG A 171 96.301 -25.337 -6.271 1.00 0.00 H ATOM 1663 HH21 ARG A 171 97.645 -25.987 -7.278 1.00 0.00 H ATOM 1664 H ARG A 171 102.378 -20.523 -9.059 1.00 0.00 H ATOM 1665 N TRP A 172 103.245 -18.662 -5.555 1.00 33.37 N ATOM 1666 CA TRP A 172 104.491 -18.090 -5.062 1.00 29.42 C ATOM 1667 C TRP A 172 104.706 -18.505 -3.614 1.00 33.67 C ATOM 1668 O TRP A 172 103.834 -18.305 -2.770 1.00 34.03 O ATOM 1669 CB TRP A 172 104.473 -16.563 -5.180 1.00 29.91 C ATOM 1670 CG TRP A 172 104.325 -16.062 -6.583 1.00 36.91 C ATOM 1671 CD1 TRP A 172 105.329 -15.741 -7.450 1.00 38.69 C ATOM 1672 CD2 TRP A 172 103.098 -15.821 -7.282 1.00 44.09 C ATOM 1673 NE1 TRP A 172 104.803 -15.316 -8.646 1.00 41.83 N ATOM 1674 CE2 TRP A 172 103.434 -15.356 -8.569 1.00 47.30 C ATOM 1675 CE3 TRP A 172 101.747 -15.956 -6.946 1.00 36.81 C ATOM 1676 CZ2 TRP A 172 102.470 -15.024 -9.520 1.00 50.46 C ATOM 1677 CZ3 TRP A 172 100.793 -15.626 -7.889 1.00 41.40 C ATOM 1678 CH2 TRP A 172 101.158 -15.166 -9.160 1.00 47.68 C ATOM 1679 HE1 TRP A 172 105.353 -15.013 -9.475 1.00 0.00 H ATOM 1680 H TRP A 172 102.367 -18.499 -5.022 1.00 0.00 H ATOM 1681 N ALA A 173 105.873 -19.072 -3.331 1.00 25.68 N ATOM 1682 CA ALA A 173 106.211 -19.512 -1.983 1.00 30.35 C ATOM 1683 C ALA A 173 106.627 -18.343 -1.101 1.00 32.46 C ATOM 1684 O ALA A 173 107.170 -17.352 -1.593 1.00 30.45 O ATOM 1685 CB ALA A 173 107.316 -20.547 -2.032 1.00 30.13 C ATOM 1686 H ALA A 173 106.567 -19.206 -4.094 1.00 0.00 H ATOM 1687 N LEU A 174 106.365 -18.451 0.199 1.00 35.47 N ATOM 1688 CA LEU A 174 106.869 -17.458 1.138 1.00 37.97 C ATOM 1689 C LEU A 174 108.215 -17.919 1.712 1.00 50.87 C ATOM 1690 O LEU A 174 108.360 -19.056 2.165 1.00 54.56 O ATOM 1691 CB LEU A 174 105.842 -17.206 2.245 1.00 42.11 C ATOM 1692 CG LEU A 174 104.471 -16.714 1.760 1.00 38.36 C ATOM 1693 CD1 LEU A 174 103.483 -16.564 2.911 1.00 30.71 C ATOM 1694 CD2 LEU A 174 104.604 -15.401 1.000 1.00 32.55 C ATOM 1695 H LEU A 174 105.797 -19.250 0.547 1.00 0.00 H ATOM 1696 N THR A 175 109.185 -17.008 1.684 1.00 48.75 N ATOM 1697 CA THR A 175 110.603 -17.297 1.937 1.00 56.99 C ATOM 1698 C THR A 175 111.044 -17.889 3.289 1.00 67.16 C ATOM 1699 O THR A 175 112.243 -17.873 3.586 1.00 75.59 O ATOM 1700 CB THR A 175 111.437 -16.014 1.723 1.00 65.63 C ATOM 1701 OG1 THR A 175 111.144 -15.068 2.760 1.00 56.13 O ATOM 1702 CG2 THR A 175 111.109 -15.390 0.374 1.00 50.68 C ATOM 1703 HG1 THR A 175 110.181 -14.841 2.736 1.00 0.00 H ATOM 1704 H THR A 175 108.921 -16.025 1.468 1.00 0.00 H ATOM 1705 N GLN A 176 110.114 -18.400 4.098 1.00 59.10 N ATOM 1706 CA GLN A 176 110.451 -18.914 5.438 1.00 66.60 C ATOM 1707 C GLN A 176 111.160 -17.902 6.341 1.00 75.36 C ATOM 1708 O GLN A 176 111.326 -16.727 6.011 1.00 66.59 O ATOM 1709 CB GLN A 176 111.316 -20.177 5.329 1.00 48.76 C ATOM 1710 CG GLN A 176 110.570 -21.421 4.884 1.00 54.32 C ATOM 1711 CD GLN A 176 109.582 -21.901 5.931 1.00 70.60 C ATOM 1712 OE1 GLN A 176 109.826 -21.776 7.133 1.00 64.01 O ATOM 1713 NE2 GLN A 176 108.462 -22.455 5.481 1.00 63.24 N ATOM 1714 OXT GLN A 176 111.580 -18.245 7.447 1.00 72.00 O ATOM 1715 HE22 GLN A 176 108.298 -22.540 4.457 1.00 0.00 H ATOM 1716 HE21 GLN A 176 107.748 -22.804 6.152 1.00 0.00 H ATOM 1717 H GLN A 176 109.126 -18.437 3.775 1.00 0.00 H TER 1718 GLN A 176 HETATM 1719 O HOH 1 89.432 -13.057 2.277 1.00 42.47 O HETATM 1720 O HOH 2 86.137 -16.990 1.224 1.00 30.79 O HETATM 1721 O HOH 3 85.560 -19.572 0.507 1.00 39.60 O HETATM 1722 O1P UNN A 4 85.339 -15.832 -1.379 1.00 -0.55 O HETATM 1723 P UNN A 4 85.168 -14.528 -0.635 1.00 0.20 P HETATM 1724 O2P UNN A 4 83.789 -14.458 -0.025 1.00 -0.55 O HETATM 1725 O3P UNN A 4 86.211 -14.432 0.443 1.00 -0.55 O HETATM 1726 O3' UNN A 4 85.340 -13.347 -1.634 1.00 -0.27 O HETATM 1727 C3' UNN A 4 85.138 -13.596 -3.038 1.00 0.15 C HETATM 1728 C2' UNN A 4 84.165 -12.648 -3.558 1.00 0.14 C HETATM 1729 O2' UNN A 4 83.088 -12.448 -2.596 1.00 -0.38 O HETATM 1730 H1 UNN A 4 83.448 -12.110 -1.785 1.00 0.21 H HETATM 1731 C1' UNN A 4 84.936 -11.405 -3.740 1.00 0.20 C HETATM 1732 O4' UNN A 4 86.353 -11.812 -4.023 1.00 -0.34 O HETATM 1733 C4' UNN A 4 86.402 -13.272 -3.733 1.00 0.12 C HETATM 1734 C5' UNN A 4 86.507 -14.040 -4.993 1.00 0.07 C HETATM 1735 O5' UNN A 4 87.042 -15.325 -4.724 1.00 -0.39 O HETATM 1736 H8 UNN A 4 87.108 -15.815 -5.535 1.00 0.21 H HETATM 1737 H6 UNN A 4 87.168 -13.507 -5.692 1.00 0.06 H HETATM 1738 H7 UNN A 4 85.508 -14.146 -5.441 1.00 0.06 H HETATM 1739 H5 UNN A 4 87.262 -13.505 -3.088 1.00 0.07 H HETATM 1740 N9 UNN A 4 84.458 -10.653 -4.817 1.00 -0.19 N HETATM 1741 C8 UNN A 4 83.907 -11.140 -5.977 1.00 0.11 C HETATM 1742 N7 UNN A 4 83.574 -10.117 -6.785 1.00 -0.30 N HETATM 1743 C5 UNN A 4 83.902 -8.918 -6.178 1.00 0.10 C HETATM 1744 C6 UNN A 4 83.792 -7.589 -6.535 1.00 0.13 C HETATM 1745 N6 UNN A 4 83.225 -7.227 -7.794 1.00 -0.32 N HETATM 1746 H10 UNN A 4 83.145 -6.234 -8.056 1.00 0.18 H HETATM 1747 H11 UNN A 4 82.896 -7.959 -8.440 1.00 0.18 H HETATM 1748 N1 UNN A 4 84.221 -6.619 -5.685 1.00 -0.27 N HETATM 1749 C2 UNN A 4 84.760 -6.922 -4.491 1.00 0.05 C HETATM 1750 N3 UNN A 4 84.885 -8.231 -4.108 1.00 -0.27 N HETATM 1751 C4 UNN A 4 84.472 -9.230 -4.916 1.00 0.16 C HETATM 1752 H12 UNN A 4 85.096 -6.130 -3.831 1.00 0.10 H HETATM 1753 H9 UNN A 4 83.762 -12.194 -6.208 1.00 0.13 H HETATM 1754 H4 UNN A 4 84.888 -10.800 -2.823 1.00 0.10 H HETATM 1755 H2 UNN A 4 83.748 -12.996 -4.515 1.00 0.07 H HETATM 1756 H3 UNN A 4 84.826 -14.636 -3.216 1.00 0.07 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1722 1723 CONECT 1723 1722 1724 1725 1726 CONECT 1724 1723 CONECT 1725 1723 CONECT 1726 1723 1727 CONECT 1727 1726 1728 1733 1756 CONECT 1728 1727 1729 1731 1755 CONECT 1729 1728 1730 CONECT 1730 1729 CONECT 1731 1728 1732 1740 1754 CONECT 1732 1731 1733 CONECT 1733 1727 1732 1734 1739 CONECT 1734 1733 1735 1737 1738 CONECT 1735 1734 1736 CONECT 1736 1735 CONECT 1737 1734 CONECT 1738 1734 CONECT 1739 1733 CONECT 1740 1731 1741 1751 CONECT 1741 1740 1742 1753 CONECT 1742 1741 1743 CONECT 1743 1742 1744 1751 CONECT 1744 1743 1745 1748 CONECT 1745 1744 1746 1747 CONECT 1746 1745 CONECT 1747 1745 CONECT 1748 1744 1749 CONECT 1749 1748 1750 1752 CONECT 1750 1749 1751 CONECT 1751 1740 1743 1750 CONECT 1752 1749 CONECT 1753 1741 CONECT 1754 1731 CONECT 1755 1728 CONECT 1756 1727 MASTER 0 0 0 0 0 0 0 0 1755 1 39 14 END
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Structure:
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Related entries of code: 5ldo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ldk
RCSB PDB
PDBbind
177aa, >5LDK_1|Chains... *
5ldm
RCSB PDB
PDBbind
177aa, >5LDM_1|Chains... at 100%
5ldp
RCSB PDB
PDBbind
177aa, >5LDP_1|Chains... at 100%
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
5ldo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RNA 2',3'-cyclic phosphodiesterase
Ligand Name
3AM
EC.Number
E.C.-.-.-.-
Resolution
2.75(Å)
Affinity (Kd/Ki/IC50)
Kd=177uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) PLoS ONE Vol. 12: pp. e0170355-e0170355
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
7
P
Molecular Weight
348.229
Exact Mass
348.071
No. of atoms
38
No. of bonds
40
Polar Surface Area
202.82
LOGP Value
-3.71 (
Computed with XLOGP3
)
-1.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(O)(O)O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H16N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-20,23H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A140NFI1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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