Browse entries in the PDBbind-CN Database
HEADER 5HBS_COMPLEX COMPND 5HBS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 139 PRO VAL ASP PHE THR GLY TYR TRP LYS MET LEU VAL ASN SEQRES 2 A 139 GLU ASN PHE GLU GLU TYR LEU ARG ALA LEU ASP VAL ASN SEQRES 3 A 139 VAL ALA LEU ARG LYS ILE ALA ASN LEU LEU LYS PRO ASP SEQRES 4 A 139 LYS GLU ILE VAL GLN ASP GLY ASP HIS MET ILE ILE ARG SEQRES 5 A 139 THR LEU SER THR PHE ARG ASN TYR ILE MET ASP PHE GLN SEQRES 6 A 139 VAL GLY LYS GLU PHE GLU GLU ASP LEU THR GLY ILE ASP SEQRES 7 A 139 ASP ARG LYS CYS MET THR THR VAL SER TRP ASP GLY ASP SEQRES 8 A 139 LYS LEU GLN CYS VAL GLN LYS GLY GLU LYS GLU GLY ARG SEQRES 9 A 139 GLY TRP THR GLN TRP ILE GLU GLY ASP GLU LEU HIS LEU SEQRES 10 A 139 GLU MET ARG VAL GLU GLY VAL VAL CYS LYS GLN VAL PHE SEQRES 11 A 139 LYS LYS VAL GLN HIS HIS HIS HIS HIS HET RTL A 476 51 ATOM 1 N PRO A 1 29.199 -3.375 12.851 1.00 17.44 N ATOM 2 CA PRO A 1 28.956 -2.359 11.822 1.00 15.99 C ATOM 3 C PRO A 1 28.070 -2.866 10.685 1.00 12.99 C ATOM 4 O PRO A 1 28.110 -4.056 10.354 1.00 12.91 O ATOM 5 CB PRO A 1 30.363 -2.043 11.309 1.00 18.18 C ATOM 6 CG PRO A 1 31.255 -2.340 12.465 1.00 18.94 C ATOM 7 CD PRO A 1 30.632 -3.513 13.165 1.00 18.87 C ATOM 8 HN2 PRO A 1 28.840 -4.290 12.511 1.00 0.00 H ATOM 9 HN1 PRO A 1 28.690 -3.105 13.717 1.00 0.00 H ATOM 10 N VAL A 2 27.279 -1.961 10.097 1.00 10.93 N ATOM 11 CA VAL A 2 26.386 -2.331 9.006 1.00 9.68 C ATOM 12 C VAL A 2 27.207 -2.803 7.822 1.00 8.50 C ATOM 13 O VAL A 2 28.170 -2.150 7.405 1.00 9.73 O ATOM 14 CB VAL A 2 25.498 -1.140 8.616 1.00 11.71 C ATOM 15 CG1 VAL A 2 24.583 -1.497 7.445 1.00 11.00 C ATOM 16 CG2 VAL A 2 24.679 -0.690 9.794 1.00 12.45 C ATOM 17 H VAL A 2 27.302 -0.974 10.425 1.00 0.00 H ATOM 18 N ASP A 3 26.818 -3.936 7.258 1.00 7.27 N ATOM 19 CA ASP A 3 27.529 -4.508 6.126 1.00 6.36 C ATOM 20 C ASP A 3 26.491 -5.159 5.231 1.00 5.40 C ATOM 21 O ASP A 3 25.792 -6.085 5.658 1.00 6.10 O ATOM 22 CB ASP A 3 28.559 -5.531 6.612 1.00 6.86 C ATOM 23 CG ASP A 3 29.536 -5.944 5.530 1.00 7.20 C ATOM 24 OD1 ASP A 3 29.140 -6.052 4.352 1.00 6.03 O ATOM 25 OD2 ASP A 3 30.712 -6.161 5.873 1.00 10.43 O ATOM 26 H ASP A 3 25.983 -4.429 7.634 1.00 0.00 H ATOM 27 N PHE A 4 26.377 -4.656 4.004 1.00 4.51 N ATOM 28 CA PHE A 4 25.375 -5.145 3.066 1.00 4.19 C ATOM 29 C PHE A 4 25.797 -6.413 2.323 1.00 3.83 C ATOM 30 O PHE A 4 25.014 -6.922 1.519 1.00 4.29 O ATOM 31 CB PHE A 4 25.050 -4.054 2.044 1.00 4.38 C ATOM 32 CG PHE A 4 24.350 -2.855 2.633 1.00 4.56 C ATOM 33 CD1 PHE A 4 23.001 -2.908 2.933 1.00 4.79 C ATOM 34 CD2 PHE A 4 25.026 -1.669 2.858 1.00 5.71 C ATOM 35 CE1 PHE A 4 22.338 -1.810 3.462 1.00 5.21 C ATOM 36 CE2 PHE A 4 24.371 -0.571 3.390 1.00 6.42 C ATOM 37 CZ PHE A 4 23.028 -0.640 3.693 1.00 5.82 C ATOM 38 H PHE A 4 27.020 -3.894 3.707 1.00 0.00 H ATOM 39 N THR A 5 27.001 -6.932 2.557 1.00 3.92 N ATOM 40 CA THR A 5 27.477 -8.079 1.789 1.00 3.90 C ATOM 41 C THR A 5 26.536 -9.272 1.948 1.00 3.95 C ATOM 42 O THR A 5 26.166 -9.642 3.068 1.00 4.71 O ATOM 43 CB THR A 5 28.886 -8.469 2.253 1.00 4.03 C ATOM 44 OG1 THR A 5 29.779 -7.363 2.073 1.00 4.29 O ATOM 45 CG2 THR A 5 29.419 -9.665 1.463 1.00 4.33 C ATOM 46 HG1 THR A 5 29.460 -6.592 2.606 1.00 0.00 H ATOM 47 H THR A 5 27.607 -6.517 3.293 1.00 0.00 H ATOM 48 N GLY A 6 26.185 -9.893 0.834 1.00 3.67 N ATOM 49 CA GLY A 6 25.331 -11.064 0.866 1.00 3.80 C ATOM 50 C GLY A 6 24.521 -11.187 -0.407 1.00 3.60 C ATOM 51 O GLY A 6 24.634 -10.381 -1.330 1.00 3.97 O ATOM 52 H GLY A 6 26.528 -9.535 -0.080 1.00 0.00 H ATOM 53 N TYR A 7 23.699 -12.238 -0.434 1.00 3.75 N ATOM 54 CA TYR A 7 22.717 -12.458 -1.488 1.00 4.08 C ATOM 55 C TYR A 7 21.343 -12.298 -0.855 1.00 3.91 C ATOM 56 O TYR A 7 21.055 -12.897 0.191 1.00 4.35 O ATOM 57 CB TYR A 7 22.865 -13.828 -2.180 1.00 5.08 C ATOM 58 CG TYR A 7 22.061 -13.915 -3.495 1.00 6.20 C ATOM 59 CD1 TYR A 7 20.672 -14.065 -3.483 1.00 6.87 C ATOM 60 CD2 TYR A 7 22.679 -13.811 -4.743 1.00 6.81 C ATOM 61 CE1 TYR A 7 19.926 -14.118 -4.672 1.00 7.16 C ATOM 62 CE2 TYR A 7 21.932 -13.874 -5.933 1.00 7.17 C ATOM 63 CZ TYR A 7 20.565 -14.020 -5.887 1.00 7.43 C ATOM 64 OH TYR A 7 19.853 -14.075 -7.067 1.00 8.57 O ATOM 65 HH TYR A 7 18.890 -14.181 -6.865 1.00 0.00 H ATOM 66 H TYR A 7 23.762 -12.935 0.335 1.00 0.00 H ATOM 67 N TRP A 8 20.516 -11.467 -1.480 1.00 4.10 N ATOM 68 CA TRP A 8 19.261 -11.011 -0.903 1.00 4.36 C ATOM 69 C TRP A 8 18.150 -11.251 -1.914 1.00 4.39 C ATOM 70 O TRP A 8 18.199 -10.727 -3.030 1.00 5.43 O ATOM 71 CB TRP A 8 19.357 -9.525 -0.574 1.00 4.97 C ATOM 72 CG TRP A 8 20.529 -9.123 0.277 1.00 4.79 C ATOM 73 CD1 TRP A 8 21.799 -8.828 -0.149 1.00 4.58 C ATOM 74 CD2 TRP A 8 20.531 -8.933 1.702 1.00 5.05 C ATOM 75 NE1 TRP A 8 22.583 -8.469 0.919 1.00 4.76 N ATOM 76 CE2 TRP A 8 21.829 -8.518 2.063 1.00 5.16 C ATOM 77 CE3 TRP A 8 19.560 -9.056 2.704 1.00 5.95 C ATOM 78 CZ2 TRP A 8 22.183 -8.230 3.381 1.00 6.23 C ATOM 79 CZ3 TRP A 8 19.915 -8.756 4.013 1.00 6.84 C ATOM 80 CH2 TRP A 8 21.215 -8.359 4.338 1.00 6.93 C ATOM 81 HE1 TRP A 8 23.587 -8.203 0.869 1.00 0.00 H ATOM 82 H TRP A 8 20.778 -11.126 -2.427 1.00 0.00 H ATOM 83 N LYS A 9 17.148 -12.029 -1.519 1.00 3.92 N ATOM 84 CA LYS A 9 16.097 -12.474 -2.422 1.00 3.90 C ATOM 85 C LYS A 9 14.835 -11.634 -2.222 1.00 3.57 C ATOM 86 O LYS A 9 14.408 -11.401 -1.088 1.00 3.77 O ATOM 87 CB LYS A 9 15.818 -13.953 -2.157 1.00 4.47 C ATOM 88 CG LYS A 9 14.837 -14.561 -3.119 1.00 4.97 C ATOM 89 CD LYS A 9 14.790 -16.069 -3.011 1.00 5.55 C ATOM 90 CE LYS A 9 13.852 -16.637 -4.043 1.00 5.71 C ATOM 91 NZ LYS A 9 13.958 -18.104 -4.120 1.00 5.88 N ATOM 92 HZ1 LYS A 9 14.931 -18.367 -4.378 1.00 0.00 H ATOM 93 HZ2 LYS A 9 13.720 -18.517 -3.196 1.00 0.00 H ATOM 94 HZ3 LYS A 9 13.298 -18.461 -4.840 1.00 0.00 H ATOM 95 H LYS A 9 17.113 -12.332 -0.525 1.00 0.00 H ATOM 96 N MET A 10 14.224 -11.199 -3.322 1.00 3.75 N ATOM 97 CA MET A 10 13.034 -10.353 -3.266 1.00 3.95 C ATOM 98 C MET A 10 11.924 -10.997 -2.442 1.00 3.77 C ATOM 99 O MET A 10 11.538 -12.143 -2.704 1.00 5.30 O ATOM 100 CB MET A 10 12.525 -10.159 -4.694 1.00 4.78 C ATOM 101 CG MET A 10 11.206 -9.422 -4.800 1.00 5.63 C ATOM 102 SD MET A 10 11.330 -7.769 -4.105 1.00 6.42 S ATOM 103 CE MET A 10 12.206 -6.920 -5.415 1.00 6.46 C ATOM 104 H MET A 10 14.606 -11.470 -4.251 1.00 0.00 H ATOM 105 N LEU A 11 11.375 -10.247 -1.490 1.00 3.38 N ATOM 106 CA LEU A 11 10.176 -10.651 -0.767 1.00 3.51 C ATOM 107 C LEU A 11 8.958 -9.853 -1.210 1.00 3.44 C ATOM 108 O LEU A 11 7.932 -10.447 -1.557 1.00 4.23 O ATOM 109 CB LEU A 11 10.379 -10.502 0.750 1.00 4.07 C ATOM 110 CG LEU A 11 9.242 -11.067 1.609 1.00 4.98 C ATOM 111 CD1 LEU A 11 9.250 -12.600 1.616 1.00 5.35 C ATOM 112 CD2 LEU A 11 9.321 -10.515 3.028 1.00 6.05 C ATOM 113 H LEU A 11 11.819 -9.337 -1.253 1.00 0.00 H ATOM 114 N VAL A 12 9.062 -8.520 -1.208 1.00 3.38 N ATOM 115 CA VAL A 12 7.971 -7.627 -1.579 1.00 3.67 C ATOM 116 C VAL A 12 8.533 -6.472 -2.405 1.00 3.83 C ATOM 117 O VAL A 12 9.669 -6.032 -2.207 1.00 5.08 O ATOM 118 CB VAL A 12 7.182 -7.098 -0.345 1.00 4.27 C ATOM 119 CG1 VAL A 12 6.304 -8.189 0.252 1.00 4.35 C ATOM 120 CG2 VAL A 12 8.108 -6.548 0.740 1.00 4.81 C ATOM 121 H VAL A 12 9.970 -8.098 -0.927 1.00 0.00 H ATOM 122 N ASN A 13 7.697 -5.963 -3.318 1.00 3.77 N ATOM 123 CA ASN A 13 8.102 -4.966 -4.315 1.00 3.71 C ATOM 124 C ASN A 13 6.880 -4.086 -4.565 1.00 3.28 C ATOM 125 O ASN A 13 5.987 -4.464 -5.330 1.00 3.54 O ATOM 126 CB ASN A 13 8.531 -5.671 -5.592 1.00 4.56 C ATOM 127 CG ASN A 13 9.039 -4.722 -6.667 1.00 4.79 C ATOM 128 OD1 ASN A 13 9.280 -3.539 -6.428 1.00 4.69 O ATOM 129 ND2 ASN A 13 9.235 -5.257 -7.862 1.00 6.40 N ATOM 130 HD22 ASN A 13 9.019 -6.261 -8.024 1.00 0.00 H ATOM 131 HD21 ASN A 13 9.605 -4.673 -8.639 1.00 0.00 H ATOM 132 H ASN A 13 6.710 -6.291 -3.321 1.00 0.00 H ATOM 133 N GLU A 14 6.835 -2.945 -3.893 1.00 3.36 N ATOM 134 CA GLU A 14 5.643 -2.115 -3.806 1.00 3.51 C ATOM 135 C GLU A 14 5.767 -0.906 -4.735 1.00 3.15 C ATOM 136 O GLU A 14 6.718 -0.126 -4.629 1.00 3.10 O ATOM 137 CB GLU A 14 5.487 -1.667 -2.354 1.00 4.29 C ATOM 138 CG GLU A 14 4.287 -0.798 -2.079 1.00 5.09 C ATOM 139 CD GLU A 14 4.155 -0.489 -0.609 1.00 5.69 C ATOM 140 OE1 GLU A 14 3.031 -0.555 -0.103 1.00 5.98 O ATOM 141 OE2 GLU A 14 5.179 -0.203 0.053 1.00 7.41 O ATOM 142 H GLU A 14 7.695 -2.626 -3.403 1.00 0.00 H ATOM 143 N ASN A 15 4.794 -0.754 -5.636 1.00 3.35 N ATOM 144 CA ASN A 15 4.649 0.433 -6.486 1.00 3.56 C ATOM 145 C ASN A 15 5.756 0.571 -7.540 1.00 3.53 C ATOM 146 O ASN A 15 6.086 1.685 -7.961 1.00 3.92 O ATOM 147 CB ASN A 15 4.511 1.717 -5.663 1.00 3.66 C ATOM 148 CG ASN A 15 3.817 2.828 -6.426 1.00 4.00 C ATOM 149 OD1 ASN A 15 2.898 2.597 -7.221 1.00 4.72 O ATOM 150 ND2 ASN A 15 4.228 4.052 -6.160 1.00 4.35 N ATOM 151 HD22 ASN A 15 5.004 4.205 -5.485 1.00 0.00 H ATOM 152 HD21 ASN A 15 3.776 4.865 -6.625 1.00 0.00 H ATOM 153 H ASN A 15 4.099 -1.521 -5.741 1.00 0.00 H ATOM 154 N PHE A 16 6.298 -0.557 -8.008 1.00 3.73 N ATOM 155 CA PHE A 16 7.375 -0.533 -9.001 1.00 4.03 C ATOM 156 C PHE A 16 6.898 0.040 -10.336 1.00 4.04 C ATOM 157 O PHE A 16 7.633 0.788 -10.989 1.00 4.17 O ATOM 158 CB PHE A 16 7.889 -1.969 -9.164 1.00 4.61 C ATOM 159 CG PHE A 16 9.194 -2.132 -9.931 1.00 5.23 C ATOM 160 CD1 PHE A 16 10.289 -1.297 -9.734 1.00 5.85 C ATOM 161 CD2 PHE A 16 9.336 -3.219 -10.782 1.00 6.29 C ATOM 162 CE1 PHE A 16 11.486 -1.523 -10.414 1.00 6.78 C ATOM 163 CE2 PHE A 16 10.521 -3.452 -11.458 1.00 7.21 C ATOM 164 CZ PHE A 16 11.599 -2.605 -11.275 1.00 7.11 C ATOM 165 H PHE A 16 5.948 -1.472 -7.660 1.00 0.00 H ATOM 166 N GLU A 17 5.680 -0.311 -10.770 1.00 4.52 N ATOM 167 CA GLU A 17 5.191 0.152 -12.068 1.00 5.24 C ATOM 168 C GLU A 17 5.182 1.675 -12.147 1.00 4.89 C ATOM 169 O GLU A 17 5.621 2.255 -13.148 1.00 5.08 O ATOM 170 CB GLU A 17 3.796 -0.425 -12.340 1.00 6.48 C ATOM 171 CG GLU A 17 2.976 0.273 -13.439 1.00 8.02 C ATOM 172 CD GLU A 17 3.526 0.080 -14.841 1.00 10.02 C ATOM 173 OE1 GLU A 17 4.390 -0.793 -15.051 1.00 12.05 O ATOM 174 OE2 GLU A 17 3.072 0.801 -15.750 1.00 12.29 O ATOM 175 H GLU A 17 5.077 -0.918 -10.179 1.00 0.00 H ATOM 176 N GLU A 18 4.659 2.345 -11.118 1.00 4.95 N ATOM 177 CA GLU A 18 4.587 3.804 -11.163 1.00 5.16 C ATOM 178 C GLU A 18 5.970 4.432 -11.099 1.00 4.44 C ATOM 179 O GLU A 18 6.203 5.477 -11.715 1.00 4.66 O ATOM 180 CB GLU A 18 3.716 4.354 -10.032 1.00 6.03 C ATOM 181 CG GLU A 18 2.209 4.225 -10.260 1.00 7.30 C ATOM 182 CD GLU A 18 1.714 4.919 -11.524 1.00 9.09 C ATOM 183 OE1 GLU A 18 2.193 6.028 -11.837 1.00 10.13 O ATOM 184 OE2 GLU A 18 0.835 4.348 -12.206 1.00 11.57 O ATOM 185 H GLU A 18 4.304 1.831 -10.287 1.00 0.00 H ATOM 186 N TYR A 19 6.897 3.817 -10.362 1.00 4.00 N ATOM 187 CA TYR A 19 8.274 4.296 -10.356 1.00 3.78 C ATOM 188 C TYR A 19 8.868 4.230 -11.766 1.00 3.87 C ATOM 189 O TYR A 19 9.438 5.208 -12.266 1.00 4.06 O ATOM 190 CB TYR A 19 9.074 3.471 -9.333 1.00 3.79 C ATOM 191 CG TYR A 19 10.558 3.726 -9.351 1.00 3.78 C ATOM 192 CD1 TYR A 19 11.113 4.814 -8.682 1.00 3.83 C ATOM 193 CD2 TYR A 19 11.411 2.876 -10.044 1.00 4.07 C ATOM 194 CE1 TYR A 19 12.483 5.054 -8.726 1.00 3.97 C ATOM 195 CE2 TYR A 19 12.771 3.100 -10.087 1.00 4.20 C ATOM 196 CZ TYR A 19 13.307 4.185 -9.432 1.00 4.05 C ATOM 197 OH TYR A 19 14.665 4.379 -9.507 1.00 4.56 O ATOM 198 HH TYR A 19 14.910 5.189 -8.994 1.00 0.00 H ATOM 199 H TYR A 19 6.635 2.990 -9.788 1.00 0.00 H ATOM 200 N LEU A 20 8.701 3.089 -12.440 1.00 3.98 N ATOM 201 CA LEU A 20 9.223 2.960 -13.795 1.00 4.26 C ATOM 202 C LEU A 20 8.519 3.908 -14.761 1.00 4.48 C ATOM 203 O LEU A 20 9.153 4.464 -15.667 1.00 4.97 O ATOM 204 CB LEU A 20 9.101 1.514 -14.275 1.00 4.68 C ATOM 205 CG LEU A 20 9.902 0.482 -13.479 1.00 5.03 C ATOM 206 CD1 LEU A 20 9.702 -0.887 -14.093 1.00 5.78 C ATOM 207 CD2 LEU A 20 11.390 0.833 -13.415 1.00 5.21 C ATOM 208 H LEU A 20 8.199 2.293 -11.998 1.00 0.00 H ATOM 209 N ARG A 21 7.208 4.109 -14.595 1.00 4.70 N ATOM 210 CA ARG A 21 6.505 5.032 -15.478 1.00 5.12 C ATOM 211 C ARG A 21 7.031 6.451 -15.309 1.00 4.90 C ATOM 212 O ARG A 21 7.169 7.192 -16.291 1.00 5.46 O ATOM 213 CB ARG A 21 4.999 4.971 -15.231 1.00 5.97 C ATOM 214 CG ARG A 21 4.214 5.693 -16.305 1.00 7.78 C ATOM 215 CD ARG A 21 2.731 5.453 -16.173 1.00 9.16 C ATOM 216 NE ARG A 21 2.180 6.073 -14.974 1.00 10.50 N ATOM 217 CZ ARG A 21 1.826 7.352 -14.880 1.00 11.86 C ATOM 218 NH1 ARG A 21 1.964 8.173 -15.916 1.00 13.53 N ATOM 219 NH2 ARG A 21 1.332 7.814 -13.740 1.00 12.96 N ATOM 220 HE ARG A 21 2.055 5.474 -14.133 1.00 0.00 H ATOM 221 HH12 ARG A 21 1.684 9.171 -15.830 1.00 0.00 H ATOM 222 HH11 ARG A 21 2.352 7.818 -16.813 1.00 0.00 H ATOM 223 HH22 ARG A 21 1.054 8.813 -13.661 1.00 0.00 H ATOM 224 HH21 ARG A 21 1.223 7.178 -12.925 1.00 0.00 H ATOM 225 H ARG A 21 6.693 3.611 -13.841 1.00 0.00 H ATOM 226 N ALA A 22 7.350 6.844 -14.073 1.00 4.79 N ATOM 227 CA ALA A 22 7.895 8.173 -13.828 1.00 5.05 C ATOM 228 C ALA A 22 9.281 8.343 -14.437 1.00 5.42 C ATOM 229 O ALA A 22 9.692 9.474 -14.706 1.00 7.10 O ATOM 230 CB ALA A 22 7.926 8.466 -12.328 1.00 5.24 C ATOM 231 H ALA A 22 7.208 6.193 -13.275 1.00 0.00 H ATOM 232 N LEU A 23 10.004 7.252 -14.665 1.00 4.92 N ATOM 233 CA LEU A 23 11.273 7.286 -15.380 1.00 5.19 C ATOM 234 C LEU A 23 11.110 7.223 -16.893 1.00 5.49 C ATOM 235 O LEU A 23 12.117 7.231 -17.610 1.00 6.00 O ATOM 236 CB LEU A 23 12.154 6.117 -14.933 1.00 5.24 C ATOM 237 CG LEU A 23 12.649 6.161 -13.493 1.00 5.48 C ATOM 238 CD1 LEU A 23 13.470 4.913 -13.200 1.00 5.69 C ATOM 239 CD2 LEU A 23 13.465 7.413 -13.206 1.00 5.64 C ATOM 240 H LEU A 23 9.650 6.337 -14.319 1.00 0.00 H ATOM 241 N ASP A 24 9.880 7.149 -17.394 1.00 5.63 N ATOM 242 CA ASP A 24 9.616 7.012 -18.826 1.00 6.22 C ATOM 243 C ASP A 24 10.142 5.695 -19.383 1.00 6.03 C ATOM 244 O ASP A 24 10.480 5.605 -20.564 1.00 7.51 O ATOM 245 CB ASP A 24 10.154 8.189 -19.645 1.00 6.65 C ATOM 246 CG ASP A 24 9.732 9.519 -19.085 1.00 7.40 C ATOM 247 OD1 ASP A 24 8.513 9.789 -19.049 1.00 9.37 O ATOM 248 OD2 ASP A 24 10.616 10.294 -18.675 1.00 9.03 O ATOM 249 H ASP A 24 9.072 7.190 -16.740 1.00 0.00 H ATOM 250 N VAL A 25 10.217 4.654 -18.556 1.00 6.00 N ATOM 251 CA VAL A 25 10.536 3.336 -19.086 1.00 6.18 C ATOM 252 C VAL A 25 9.421 2.927 -20.040 1.00 6.58 C ATOM 253 O VAL A 25 8.236 3.079 -19.728 1.00 7.02 O ATOM 254 CB VAL A 25 10.725 2.339 -17.932 1.00 6.10 C ATOM 255 CG1 VAL A 25 10.920 0.931 -18.462 1.00 6.39 C ATOM 256 CG2 VAL A 25 11.908 2.756 -17.068 1.00 6.36 C ATOM 257 H VAL A 25 10.049 4.782 -17.538 1.00 0.00 H ATOM 258 N ASN A 26 9.784 2.422 -21.217 1.00 7.36 N ATOM 259 CA ASN A 26 8.763 2.169 -22.226 1.00 7.92 C ATOM 260 C ASN A 26 7.823 1.048 -21.779 1.00 7.84 C ATOM 261 O ASN A 26 8.170 0.188 -20.963 1.00 7.53 O ATOM 262 CB ASN A 26 9.391 1.842 -23.581 1.00 8.88 C ATOM 263 CG ASN A 26 9.977 0.451 -23.632 1.00 9.89 C ATOM 264 OD1 ASN A 26 9.257 -0.537 -23.777 1.00 11.71 O ATOM 265 ND2 ASN A 26 11.290 0.363 -23.512 1.00 10.77 N ATOM 266 HD22 ASN A 26 11.860 1.224 -23.391 1.00 0.00 H ATOM 267 HD21 ASN A 26 11.753 -0.568 -23.538 1.00 0.00 H ATOM 268 H ASN A 26 10.783 2.211 -21.414 1.00 0.00 H ATOM 269 N VAL A 27 6.617 1.067 -22.351 1.00 8.50 N ATOM 270 CA VAL A 27 5.523 0.227 -21.864 1.00 9.06 C ATOM 271 C VAL A 27 5.855 -1.258 -21.988 1.00 8.04 C ATOM 272 O VAL A 27 5.520 -2.054 -21.103 1.00 8.02 O ATOM 273 CB VAL A 27 4.211 0.598 -22.584 1.00 11.63 C ATOM 274 CG1 VAL A 27 4.324 0.360 -24.088 1.00 12.40 C ATOM 275 CG2 VAL A 27 3.043 -0.171 -21.998 1.00 12.40 C ATOM 276 H VAL A 27 6.451 1.695 -23.163 1.00 0.00 H ATOM 277 N ALA A 28 6.505 -1.666 -23.080 1.00 8.06 N ATOM 278 CA ALA A 28 6.818 -3.085 -23.250 1.00 7.95 C ATOM 279 C ALA A 28 7.804 -3.564 -22.192 1.00 6.89 C ATOM 280 O ALA A 28 7.688 -4.687 -21.682 1.00 6.82 O ATOM 281 CB ALA A 28 7.378 -3.334 -24.648 1.00 8.84 C ATOM 282 H ALA A 28 6.788 -0.978 -23.807 1.00 0.00 H ATOM 283 N LEU A 29 8.786 -2.728 -21.857 1.00 6.89 N ATOM 284 CA LEU A 29 9.738 -3.098 -20.821 1.00 6.58 C ATOM 285 C LEU A 29 9.084 -3.079 -19.443 1.00 5.90 C ATOM 286 O LEU A 29 9.376 -3.936 -18.603 1.00 6.18 O ATOM 287 CB LEU A 29 10.961 -2.181 -20.880 1.00 7.34 C ATOM 288 CG LEU A 29 12.066 -2.474 -19.864 1.00 7.88 C ATOM 289 CD1 LEU A 29 12.525 -3.935 -19.929 1.00 7.90 C ATOM 290 CD2 LEU A 29 13.243 -1.537 -20.095 1.00 8.49 C ATOM 291 H LEU A 29 8.872 -1.809 -22.337 1.00 0.00 H ATOM 292 N ARG A 30 8.181 -2.128 -19.191 1.00 5.72 N ATOM 293 CA ARG A 30 7.443 -2.164 -17.932 1.00 5.83 C ATOM 294 C ARG A 30 6.642 -3.456 -17.806 1.00 5.54 C ATOM 295 O ARG A 30 6.555 -4.033 -16.716 1.00 5.75 O ATOM 296 CB ARG A 30 6.530 -0.944 -17.787 1.00 6.19 C ATOM 297 CG ARG A 30 7.275 0.377 -17.699 1.00 6.74 C ATOM 298 CD ARG A 30 6.456 1.478 -17.028 1.00 7.76 C ATOM 299 NE ARG A 30 5.079 1.594 -17.508 1.00 8.93 N ATOM 300 CZ ARG A 30 4.679 2.402 -18.486 1.00 10.16 C ATOM 301 NH1 ARG A 30 5.548 3.165 -19.132 1.00 10.40 N ATOM 302 NH2 ARG A 30 3.398 2.441 -18.829 1.00 11.51 N ATOM 303 HE ARG A 30 4.359 1.000 -17.050 1.00 0.00 H ATOM 304 HH12 ARG A 30 5.223 3.793 -19.895 1.00 0.00 H ATOM 305 HH11 ARG A 30 6.556 3.137 -18.876 1.00 0.00 H ATOM 306 HH22 ARG A 30 3.083 3.072 -19.593 1.00 0.00 H ATOM 307 HH21 ARG A 30 2.708 1.840 -18.333 1.00 0.00 H ATOM 308 H ARG A 30 8.006 -1.371 -19.883 1.00 0.00 H ATOM 309 N LYS A 31 6.058 -3.935 -18.909 1.00 5.76 N ATOM 310 CA LYS A 31 5.284 -5.173 -18.861 1.00 6.11 C ATOM 311 C LYS A 31 6.169 -6.348 -18.460 1.00 6.01 C ATOM 312 O LYS A 31 5.799 -7.167 -17.612 1.00 6.68 O ATOM 313 CB LYS A 31 4.623 -5.422 -20.220 1.00 7.01 C ATOM 314 CG LYS A 31 3.791 -6.696 -20.287 1.00 8.58 C ATOM 315 CD LYS A 31 3.188 -6.907 -21.667 1.00 10.13 C ATOM 316 CE LYS A 31 2.474 -8.250 -21.754 1.00 11.77 C ATOM 317 NZ LYS A 31 1.956 -8.536 -23.120 1.00 13.23 N ATOM 318 HZ1 LYS A 31 1.279 -7.796 -23.395 1.00 0.00 H ATOM 319 HZ2 LYS A 31 2.748 -8.551 -23.794 1.00 0.00 H ATOM 320 HZ3 LYS A 31 1.480 -9.461 -23.122 1.00 0.00 H ATOM 321 H LYS A 31 6.155 -3.422 -19.808 1.00 0.00 H ATOM 322 N ILE A 32 7.352 -6.442 -19.067 1.00 5.63 N ATOM 323 CA ILE A 32 8.325 -7.461 -18.684 1.00 5.79 C ATOM 324 C ILE A 32 8.706 -7.303 -17.218 1.00 5.45 C ATOM 325 O ILE A 32 8.715 -8.271 -16.447 1.00 5.68 O ATOM 326 CB ILE A 32 9.563 -7.364 -19.595 1.00 6.52 C ATOM 327 CG1 ILE A 32 9.222 -7.768 -21.031 1.00 7.17 C ATOM 328 CG2 ILE A 32 10.695 -8.235 -19.073 1.00 7.20 C ATOM 329 CD1 ILE A 32 10.255 -7.313 -22.041 1.00 7.56 C ATOM 330 H ILE A 32 7.587 -5.775 -19.830 1.00 0.00 H ATOM 331 N ALA A 33 9.037 -6.072 -16.819 1.00 5.52 N ATOM 332 CA ALA A 33 9.557 -5.834 -15.481 1.00 6.22 C ATOM 333 C ALA A 33 8.529 -6.169 -14.409 1.00 6.49 C ATOM 334 O ALA A 33 8.901 -6.577 -13.304 1.00 7.30 O ATOM 335 CB ALA A 33 10.012 -4.382 -15.355 1.00 6.92 C ATOM 336 H ALA A 33 8.921 -5.272 -17.474 1.00 0.00 H ATOM 337 N ASN A 34 7.238 -6.012 -14.721 1.00 7.29 N ATOM 338 CA ASN A 34 6.173 -6.282 -13.761 1.00 8.49 C ATOM 339 C ASN A 34 6.135 -7.741 -13.332 1.00 8.08 C ATOM 340 O ASN A 34 5.582 -8.050 -12.272 1.00 9.92 O ATOM 341 CB ASN A 34 4.830 -5.879 -14.379 1.00 10.37 C ATOM 342 CG ASN A 34 3.669 -6.050 -13.425 1.00 12.72 C ATOM 343 OD1 ASN A 34 3.598 -5.380 -12.396 1.00 14.80 O ATOM 344 ND2 ASN A 34 2.742 -6.938 -13.771 1.00 14.57 N ATOM 345 HD22 ASN A 34 2.846 -7.482 -14.652 1.00 0.00 H ATOM 346 HD21 ASN A 34 1.913 -7.089 -13.161 1.00 0.00 H ATOM 347 H ASN A 34 6.986 -5.688 -15.676 1.00 0.00 H ATOM 348 N LEU A 35 6.693 -8.645 -14.130 1.00 7.03 N ATOM 349 CA LEU A 35 6.701 -10.056 -13.780 1.00 7.52 C ATOM 350 C LEU A 35 7.979 -10.483 -13.071 1.00 6.96 C ATOM 351 O LEU A 35 8.038 -11.604 -12.559 1.00 8.66 O ATOM 352 CB LEU A 35 6.505 -10.911 -15.036 1.00 8.69 C ATOM 353 CG LEU A 35 5.246 -10.610 -15.848 1.00 10.04 C ATOM 354 CD1 LEU A 35 5.219 -11.460 -17.109 1.00 11.55 C ATOM 355 CD2 LEU A 35 3.996 -10.834 -15.019 1.00 10.66 C ATOM 356 H LEU A 35 7.132 -8.338 -15.021 1.00 0.00 H ATOM 357 N LEU A 36 8.987 -9.623 -13.016 1.00 5.81 N ATOM 358 CA LEU A 36 10.273 -10.000 -12.459 1.00 5.61 C ATOM 359 C LEU A 36 10.268 -9.856 -10.939 1.00 5.72 C ATOM 360 O LEU A 36 9.462 -9.127 -10.351 1.00 6.63 O ATOM 361 CB LEU A 36 11.375 -9.126 -13.059 1.00 5.63 C ATOM 362 CG LEU A 36 11.502 -9.181 -14.584 1.00 6.17 C ATOM 363 CD1 LEU A 36 12.559 -8.201 -15.053 1.00 6.56 C ATOM 364 CD2 LEU A 36 11.824 -10.587 -15.080 1.00 6.82 C ATOM 365 H LEU A 36 8.853 -8.658 -13.380 1.00 0.00 H ATOM 366 N LYS A 37 11.186 -10.582 -10.308 1.00 5.39 N ATOM 367 CA LYS A 37 11.403 -10.519 -8.865 1.00 5.78 C ATOM 368 C LYS A 37 12.906 -10.378 -8.677 1.00 5.90 C ATOM 369 O LYS A 37 13.600 -11.351 -8.355 1.00 6.53 O ATOM 370 CB LYS A 37 10.820 -11.746 -8.163 1.00 6.59 C ATOM 371 CG LYS A 37 9.292 -11.765 -8.199 1.00 7.60 C ATOM 372 CD LYS A 37 8.693 -13.031 -7.602 1.00 9.17 C ATOM 373 CE LYS A 37 8.956 -14.246 -8.474 1.00 10.59 C ATOM 374 NZ LYS A 37 8.276 -15.458 -7.943 1.00 12.12 N ATOM 375 HZ1 LYS A 37 8.626 -15.659 -6.985 1.00 0.00 H ATOM 376 HZ2 LYS A 37 7.250 -15.292 -7.911 1.00 0.00 H ATOM 377 HZ3 LYS A 37 8.478 -16.267 -8.564 1.00 0.00 H ATOM 378 H LYS A 37 11.779 -11.226 -10.869 1.00 0.00 H ATOM 379 N PRO A 38 13.443 -9.176 -8.899 1.00 5.97 N ATOM 380 CA PRO A 38 14.898 -9.006 -8.885 1.00 6.14 C ATOM 381 C PRO A 38 15.485 -9.230 -7.504 1.00 5.99 C ATOM 382 O PRO A 38 14.878 -8.905 -6.482 1.00 6.84 O ATOM 383 CB PRO A 38 15.090 -7.552 -9.334 1.00 6.83 C ATOM 384 CG PRO A 38 13.840 -7.199 -10.062 1.00 6.75 C ATOM 385 CD PRO A 38 12.758 -7.947 -9.338 1.00 6.15 C ATOM 386 N ASP A 39 16.691 -9.786 -7.494 1.00 5.69 N ATOM 387 CA ASP A 39 17.470 -10.021 -6.287 1.00 5.56 C ATOM 388 C ASP A 39 18.660 -9.071 -6.245 1.00 5.42 C ATOM 389 O ASP A 39 18.953 -8.371 -7.213 1.00 5.92 O ATOM 390 CB ASP A 39 18.009 -11.449 -6.276 1.00 6.18 C ATOM 391 CG ASP A 39 16.921 -12.504 -6.218 1.00 6.80 C ATOM 392 OD1 ASP A 39 15.821 -12.244 -5.684 1.00 6.82 O ATOM 393 OD2 ASP A 39 17.209 -13.631 -6.679 1.00 8.70 O ATOM 394 H ASP A 39 17.104 -10.071 -8.405 1.00 0.00 H ATOM 395 N LYS A 40 19.372 -9.078 -5.118 1.00 5.06 N ATOM 396 CA LYS A 40 20.568 -8.258 -4.945 1.00 5.04 C ATOM 397 C LYS A 40 21.729 -9.144 -4.510 1.00 4.87 C ATOM 398 O LYS A 40 21.628 -9.840 -3.497 1.00 5.64 O ATOM 399 CB LYS A 40 20.349 -7.183 -3.860 1.00 5.72 C ATOM 400 CG LYS A 40 19.164 -6.241 -4.072 1.00 5.74 C ATOM 401 CD LYS A 40 19.477 -5.117 -5.038 1.00 5.65 C ATOM 402 CE LYS A 40 18.246 -4.268 -5.286 1.00 5.32 C ATOM 403 NZ LYS A 40 18.574 -3.077 -6.087 1.00 5.15 N ATOM 404 HZ1 LYS A 40 19.277 -2.503 -5.580 1.00 0.00 H ATOM 405 HZ2 LYS A 40 18.963 -3.374 -7.004 1.00 0.00 H ATOM 406 HZ3 LYS A 40 17.712 -2.516 -6.240 1.00 0.00 H ATOM 407 H LYS A 40 19.065 -9.689 -4.334 1.00 0.00 H ATOM 408 N GLU A 41 22.845 -9.093 -5.241 1.00 4.62 N ATOM 409 CA GLU A 41 24.102 -9.682 -4.785 1.00 4.57 C ATOM 410 C GLU A 41 25.049 -8.523 -4.511 1.00 4.01 C ATOM 411 O GLU A 41 25.385 -7.769 -5.432 1.00 4.34 O ATOM 412 CB GLU A 41 24.711 -10.628 -5.825 1.00 5.70 C ATOM 413 CG GLU A 41 25.929 -11.395 -5.297 1.00 6.75 C ATOM 414 CD GLU A 41 26.830 -11.952 -6.395 1.00 7.82 C ATOM 415 OE1 GLU A 41 27.585 -11.167 -7.004 1.00 10.26 O ATOM 416 OE2 GLU A 41 26.790 -13.178 -6.637 1.00 9.55 O ATOM 417 H GLU A 41 22.819 -8.618 -6.166 1.00 0.00 H ATOM 418 N ILE A 42 25.456 -8.367 -3.254 1.00 3.66 N ATOM 419 CA ILE A 42 26.217 -7.201 -2.820 1.00 3.53 C ATOM 420 C ILE A 42 27.542 -7.644 -2.221 1.00 3.51 C ATOM 421 O ILE A 42 27.587 -8.575 -1.410 1.00 3.69 O ATOM 422 CB ILE A 42 25.425 -6.366 -1.792 1.00 3.78 C ATOM 423 CG1 ILE A 42 24.105 -5.903 -2.407 1.00 4.06 C ATOM 424 CG2 ILE A 42 26.258 -5.187 -1.300 1.00 3.97 C ATOM 425 CD1 ILE A 42 23.173 -5.179 -1.444 1.00 4.45 C ATOM 426 H ILE A 42 25.223 -9.102 -2.556 1.00 0.00 H ATOM 427 N VAL A 43 28.614 -6.943 -2.588 1.00 3.55 N ATOM 428 CA VAL A 43 29.892 -7.048 -1.887 1.00 3.74 C ATOM 429 C VAL A 43 30.285 -5.652 -1.438 1.00 3.74 C ATOM 430 O VAL A 43 30.502 -4.762 -2.273 1.00 4.21 O ATOM 431 CB VAL A 43 31.001 -7.684 -2.741 1.00 4.34 C ATOM 432 CG1 VAL A 43 32.295 -7.770 -1.942 1.00 4.85 C ATOM 433 CG2 VAL A 43 30.587 -9.069 -3.222 1.00 4.78 C ATOM 434 H VAL A 43 28.539 -6.299 -3.401 1.00 0.00 H ATOM 435 N GLN A 44 30.378 -5.466 -0.125 1.00 3.73 N ATOM 436 CA GLN A 44 30.864 -4.237 0.484 1.00 3.97 C ATOM 437 C GLN A 44 32.312 -4.494 0.899 1.00 4.15 C ATOM 438 O GLN A 44 32.575 -5.352 1.746 1.00 5.36 O ATOM 439 CB GLN A 44 29.990 -3.898 1.690 1.00 4.47 C ATOM 440 CG GLN A 44 30.404 -2.668 2.478 1.00 5.04 C ATOM 441 CD GLN A 44 29.429 -2.383 3.600 1.00 5.55 C ATOM 442 OE1 GLN A 44 28.218 -2.507 3.418 1.00 5.66 O ATOM 443 NE2 GLN A 44 29.944 -2.015 4.769 1.00 6.93 N ATOM 444 HE22 GLN A 44 30.974 -1.923 4.877 1.00 0.00 H ATOM 445 HE21 GLN A 44 29.317 -1.819 5.575 1.00 0.00 H ATOM 446 H GLN A 44 30.087 -6.243 0.502 1.00 0.00 H ATOM 447 N ASP A 45 33.246 -3.779 0.283 1.00 4.13 N ATOM 448 CA ASP A 45 34.682 -4.052 0.421 1.00 4.27 C ATOM 449 C ASP A 45 35.324 -2.721 0.801 1.00 4.30 C ATOM 450 O ASP A 45 35.669 -1.918 -0.068 1.00 4.31 O ATOM 451 CB ASP A 45 35.199 -4.598 -0.914 1.00 4.22 C ATOM 452 CG ASP A 45 36.656 -5.035 -0.878 1.00 4.12 C ATOM 453 OD1 ASP A 45 37.249 -5.128 0.217 1.00 4.33 O ATOM 454 OD2 ASP A 45 37.183 -5.312 -1.983 1.00 4.33 O ATOM 455 H ASP A 45 32.947 -2.990 -0.325 1.00 0.00 H ATOM 456 N GLY A 46 35.441 -2.458 2.100 1.00 5.24 N ATOM 457 CA GLY A 46 35.731 -1.099 2.526 1.00 5.90 C ATOM 458 C GLY A 46 34.592 -0.190 2.099 1.00 6.41 C ATOM 459 O GLY A 46 33.418 -0.482 2.347 1.00 8.28 O ATOM 460 H GLY A 46 35.326 -3.216 2.803 1.00 0.00 H ATOM 461 N ASP A 47 34.926 0.913 1.432 1.00 6.44 N ATOM 462 CA ASP A 47 33.919 1.791 0.845 1.00 6.83 C ATOM 463 C ASP A 47 33.742 1.558 -0.654 1.00 5.33 C ATOM 464 O ASP A 47 33.068 2.347 -1.321 1.00 5.86 O ATOM 465 CB ASP A 47 34.231 3.261 1.143 1.00 8.52 C ATOM 466 CG ASP A 47 33.578 3.757 2.430 1.00 11.28 C ATOM 467 OD1 ASP A 47 32.745 3.029 3.010 1.00 12.91 O ATOM 468 OD2 ASP A 47 33.885 4.891 2.851 1.00 14.31 O ATOM 469 H ASP A 47 35.932 1.155 1.327 1.00 0.00 H ATOM 470 N HIS A 48 34.286 0.467 -1.185 1.00 4.48 N ATOM 471 CA HIS A 48 33.995 0.030 -2.547 1.00 4.12 C ATOM 472 C HIS A 48 32.781 -0.890 -2.494 1.00 4.02 C ATOM 473 O HIS A 48 32.847 -1.981 -1.923 1.00 4.78 O ATOM 474 CB HIS A 48 35.205 -0.708 -3.105 1.00 4.34 C ATOM 475 CG HIS A 48 34.985 -1.320 -4.451 1.00 4.62 C ATOM 476 ND1 HIS A 48 35.794 -2.325 -4.932 1.00 4.95 N ATOM 477 CD2 HIS A 48 34.072 -1.073 -5.421 1.00 4.80 C ATOM 478 CE1 HIS A 48 35.393 -2.673 -6.140 1.00 5.52 C ATOM 479 NE2 HIS A 48 34.351 -1.928 -6.462 1.00 5.21 N ATOM 480 H HIS A 48 34.943 -0.096 -0.608 1.00 0.00 H ATOM 481 N MET A 49 31.682 -0.451 -3.096 1.00 3.77 N ATOM 482 CA MET A 49 30.421 -1.174 -3.061 1.00 4.17 C ATOM 483 C MET A 49 30.096 -1.693 -4.458 1.00 3.87 C ATOM 484 O MET A 49 30.128 -0.938 -5.437 1.00 4.52 O ATOM 485 CB MET A 49 29.322 -0.222 -2.576 1.00 5.10 C ATOM 486 CG MET A 49 28.001 -0.853 -2.215 1.00 5.43 C ATOM 487 SD MET A 49 28.008 -1.731 -0.645 1.00 5.76 S ATOM 488 CE MET A 49 28.180 -0.381 0.519 1.00 6.09 C ATOM 489 H MET A 49 31.725 0.449 -3.615 1.00 0.00 H ATOM 490 N ILE A 50 29.754 -2.981 -4.535 1.00 3.73 N ATOM 491 CA ILE A 50 29.226 -3.592 -5.751 1.00 4.02 C ATOM 492 C ILE A 50 27.824 -4.068 -5.414 1.00 3.66 C ATOM 493 O ILE A 50 27.641 -4.856 -4.480 1.00 4.31 O ATOM 494 CB ILE A 50 30.092 -4.759 -6.242 1.00 5.29 C ATOM 495 CG1 ILE A 50 31.491 -4.260 -6.599 1.00 6.40 C ATOM 496 CG2 ILE A 50 29.428 -5.436 -7.445 1.00 6.12 C ATOM 497 CD1 ILE A 50 32.503 -5.376 -6.776 1.00 7.85 C ATOM 498 H ILE A 50 29.869 -3.576 -3.690 1.00 0.00 H ATOM 499 N ILE A 51 26.835 -3.573 -6.150 1.00 3.47 N ATOM 500 CA ILE A 51 25.442 -3.986 -5.984 1.00 3.60 C ATOM 501 C ILE A 51 24.971 -4.508 -7.332 1.00 3.48 C ATOM 502 O ILE A 51 24.770 -3.724 -8.268 1.00 3.83 O ATOM 503 CB ILE A 51 24.533 -2.845 -5.498 1.00 4.07 C ATOM 504 CG1 ILE A 51 25.050 -2.235 -4.194 1.00 4.64 C ATOM 505 CG2 ILE A 51 23.095 -3.359 -5.326 1.00 4.24 C ATOM 506 CD1 ILE A 51 24.276 -1.004 -3.735 1.00 5.17 C ATOM 507 H ILE A 51 27.061 -2.862 -6.875 1.00 0.00 H ATOM 508 N ARG A 52 24.812 -5.823 -7.442 1.00 3.93 N ATOM 509 CA ARG A 52 24.299 -6.437 -8.660 1.00 4.31 C ATOM 510 C ARG A 52 22.806 -6.671 -8.457 1.00 4.09 C ATOM 511 O ARG A 52 22.411 -7.475 -7.607 1.00 5.05 O ATOM 512 CB ARG A 52 25.026 -7.748 -8.971 1.00 5.35 C ATOM 513 CG ARG A 52 26.543 -7.595 -9.129 1.00 6.59 C ATOM 514 CD ARG A 52 27.262 -8.885 -9.589 1.00 8.72 C ATOM 515 NE ARG A 52 26.911 -9.319 -10.946 1.00 10.72 N ATOM 516 CZ ARG A 52 27.408 -8.797 -12.068 1.00 12.54 C ATOM 517 NH1 ARG A 52 28.286 -7.803 -12.018 1.00 13.92 N ATOM 518 NH2 ARG A 52 27.021 -9.267 -13.250 1.00 13.60 N ATOM 519 HE ARG A 52 26.222 -10.093 -11.040 1.00 0.00 H ATOM 520 HH12 ARG A 52 28.668 -7.402 -12.898 1.00 0.00 H ATOM 521 HH11 ARG A 52 28.592 -7.425 -11.099 1.00 0.00 H ATOM 522 HH22 ARG A 52 27.409 -8.859 -14.124 1.00 0.00 H ATOM 523 HH21 ARG A 52 26.330 -10.043 -13.300 1.00 0.00 H ATOM 524 H ARG A 52 25.061 -6.431 -6.636 1.00 0.00 H ATOM 525 N THR A 53 21.978 -5.950 -9.214 1.00 3.62 N ATOM 526 CA THR A 53 20.537 -6.173 -9.211 1.00 3.75 C ATOM 527 C THR A 53 20.257 -7.152 -10.341 1.00 4.06 C ATOM 528 O THR A 53 20.459 -6.837 -11.518 1.00 4.76 O ATOM 529 CB THR A 53 19.760 -4.865 -9.363 1.00 4.04 C ATOM 530 OG1 THR A 53 20.106 -3.977 -8.294 1.00 4.56 O ATOM 531 CG2 THR A 53 18.259 -5.118 -9.311 1.00 4.47 C ATOM 532 HG1 THR A 53 21.078 -3.790 -8.324 1.00 0.00 H ATOM 533 H THR A 53 22.372 -5.206 -9.825 1.00 0.00 H ATOM 534 N LEU A 54 19.858 -8.359 -9.974 1.00 4.72 N ATOM 535 CA LEU A 54 19.823 -9.482 -10.889 1.00 5.47 C ATOM 536 C LEU A 54 18.382 -9.899 -11.141 1.00 5.66 C ATOM 537 O LEU A 54 17.573 -9.971 -10.215 1.00 7.44 O ATOM 538 CB LEU A 54 20.603 -10.656 -10.292 1.00 6.60 C ATOM 539 CG LEU A 54 22.082 -10.383 -9.985 1.00 7.68 C ATOM 540 CD1 LEU A 54 22.689 -11.562 -9.242 1.00 9.24 C ATOM 541 CD2 LEU A 54 22.857 -10.098 -11.258 1.00 8.35 C ATOM 542 H LEU A 54 19.558 -8.508 -8.990 1.00 0.00 H ATOM 543 N SER A 55 18.061 -10.177 -12.396 1.00 5.22 N ATOM 544 CA SER A 55 16.785 -10.797 -12.716 1.00 5.31 C ATOM 545 C SER A 55 17.002 -11.792 -13.841 1.00 5.87 C ATOM 546 O SER A 55 18.057 -11.830 -14.477 1.00 6.79 O ATOM 547 CB SER A 55 15.717 -9.771 -13.115 1.00 5.21 C ATOM 548 OG SER A 55 15.837 -9.379 -14.468 1.00 5.38 O ATOM 549 HG SER A 55 16.727 -8.972 -14.615 1.00 0.00 H ATOM 550 H SER A 55 18.729 -9.949 -13.160 1.00 0.00 H ATOM 551 N THR A 56 15.973 -12.593 -14.103 1.00 6.31 N ATOM 552 CA THR A 56 16.083 -13.572 -15.175 1.00 7.07 C ATOM 553 C THR A 56 16.193 -12.920 -16.545 1.00 6.63 C ATOM 554 O THR A 56 16.728 -13.541 -17.470 1.00 8.03 O ATOM 555 CB THR A 56 14.878 -14.507 -15.167 1.00 8.09 C ATOM 556 OG1 THR A 56 13.674 -13.735 -15.258 1.00 8.74 O ATOM 557 CG2 THR A 56 14.860 -15.364 -13.915 1.00 8.79 C ATOM 558 HG1 THR A 56 12.893 -14.343 -15.253 1.00 0.00 H ATOM 559 H THR A 56 15.097 -12.521 -13.547 1.00 0.00 H ATOM 560 N PHE A 57 15.696 -11.694 -16.698 1.00 6.08 N ATOM 561 CA PHE A 57 15.651 -11.021 -17.992 1.00 6.11 C ATOM 562 C PHE A 57 16.824 -10.078 -18.245 1.00 6.55 C ATOM 563 O PHE A 57 17.325 -9.986 -19.369 1.00 10.00 O ATOM 564 CB PHE A 57 14.348 -10.222 -18.102 1.00 6.35 C ATOM 565 CG PHE A 57 14.227 -9.455 -19.381 1.00 6.77 C ATOM 566 CD1 PHE A 57 14.063 -10.115 -20.578 1.00 6.83 C ATOM 567 CD2 PHE A 57 14.280 -8.076 -19.386 1.00 8.09 C ATOM 568 CE1 PHE A 57 13.957 -9.419 -21.763 1.00 7.69 C ATOM 569 CE2 PHE A 57 14.172 -7.370 -20.567 1.00 9.28 C ATOM 570 CZ PHE A 57 14.014 -8.047 -21.761 1.00 8.73 C ATOM 571 H PHE A 57 15.326 -11.197 -15.863 1.00 0.00 H ATOM 572 N ARG A 58 17.197 -9.296 -17.250 1.00 5.91 N ATOM 573 CA ARG A 58 18.230 -8.286 -17.409 1.00 6.56 C ATOM 574 C ARG A 58 18.709 -7.881 -16.024 1.00 5.59 C ATOM 575 O ARG A 58 17.935 -7.872 -15.063 1.00 5.92 O ATOM 576 CB ARG A 58 17.676 -7.057 -18.147 1.00 8.90 C ATOM 577 CG ARG A 58 18.683 -5.942 -18.403 1.00 10.70 C ATOM 578 CD ARG A 58 18.029 -4.722 -19.051 1.00 12.15 C ATOM 579 NE ARG A 58 17.532 -5.022 -20.390 1.00 13.24 N ATOM 580 CZ ARG A 58 16.675 -4.267 -21.072 1.00 13.40 C ATOM 581 NH1 ARG A 58 16.289 -4.643 -22.284 1.00 14.51 N ATOM 582 NH2 ARG A 58 16.194 -3.145 -20.552 1.00 13.03 N ATOM 583 HE ARG A 58 17.874 -5.892 -20.846 1.00 0.00 H ATOM 584 HH12 ARG A 58 15.619 -4.057 -22.822 1.00 0.00 H ATOM 585 HH11 ARG A 58 16.656 -5.524 -22.697 1.00 0.00 H ATOM 586 HH22 ARG A 58 15.525 -2.565 -21.097 1.00 0.00 H ATOM 587 HH21 ARG A 58 16.486 -2.846 -19.600 1.00 0.00 H ATOM 588 H ARG A 58 16.738 -9.406 -16.323 1.00 0.00 H ATOM 589 N ASN A 59 19.983 -7.528 -15.933 1.00 5.61 N ATOM 590 CA ASN A 59 20.558 -7.036 -14.692 1.00 5.33 C ATOM 591 C ASN A 59 20.796 -5.534 -14.772 1.00 5.08 C ATOM 592 O ASN A 59 20.861 -4.945 -15.855 1.00 6.34 O ATOM 593 CB ASN A 59 21.911 -7.692 -14.418 1.00 6.33 C ATOM 594 CG ASN A 59 21.874 -9.188 -14.521 1.00 7.17 C ATOM 595 OD1 ASN A 59 20.882 -9.828 -14.185 1.00 7.58 O ATOM 596 ND2 ASN A 59 22.980 -9.762 -14.973 1.00 8.54 N ATOM 597 HD22 ASN A 59 23.795 -9.177 -15.246 1.00 0.00 H ATOM 598 HD21 ASN A 59 23.032 -10.797 -15.055 1.00 0.00 H ATOM 599 H ASN A 59 20.589 -7.605 -16.774 1.00 0.00 H ATOM 600 N TYR A 60 20.967 -4.921 -13.601 1.00 4.19 N ATOM 601 CA TYR A 60 21.502 -3.568 -13.497 1.00 3.96 C ATOM 602 C TYR A 60 22.614 -3.609 -12.459 1.00 3.87 C ATOM 603 O TYR A 60 22.372 -3.990 -11.307 1.00 3.97 O ATOM 604 CB TYR A 60 20.430 -2.528 -13.111 1.00 4.14 C ATOM 605 CG TYR A 60 21.069 -1.175 -12.932 1.00 3.97 C ATOM 606 CD1 TYR A 60 21.691 -0.555 -13.998 1.00 4.43 C ATOM 607 CD2 TYR A 60 21.113 -0.552 -11.691 1.00 3.80 C ATOM 608 CE1 TYR A 60 22.338 0.648 -13.846 1.00 4.53 C ATOM 609 CE2 TYR A 60 21.755 0.670 -11.530 1.00 3.86 C ATOM 610 CZ TYR A 60 22.373 1.258 -12.619 1.00 4.16 C ATOM 611 OH TYR A 60 23.062 2.443 -12.526 1.00 4.85 O ATOM 612 HH TYR A 60 22.450 3.155 -12.213 1.00 0.00 H ATOM 613 H TYR A 60 20.709 -5.426 -12.729 1.00 0.00 H ATOM 614 N ILE A 61 23.827 -3.232 -12.866 1.00 3.91 N ATOM 615 CA ILE A 61 25.022 -3.390 -12.041 1.00 4.11 C ATOM 616 C ILE A 61 25.511 -2.020 -11.590 1.00 3.78 C ATOM 617 O ILE A 61 25.708 -1.123 -12.420 1.00 4.73 O ATOM 618 CB ILE A 61 26.139 -4.108 -12.817 1.00 4.90 C ATOM 619 CG1 ILE A 61 25.630 -5.415 -13.457 1.00 5.49 C ATOM 620 CG2 ILE A 61 27.342 -4.344 -11.909 1.00 5.47 C ATOM 621 CD1 ILE A 61 25.012 -6.413 -12.487 1.00 5.53 C ATOM 622 H ILE A 61 23.926 -2.808 -13.810 1.00 0.00 H ATOM 623 N MET A 62 25.741 -1.876 -10.284 1.00 3.40 N ATOM 624 CA MET A 62 26.425 -0.720 -9.718 1.00 3.48 C ATOM 625 C MET A 62 27.757 -1.165 -9.130 1.00 3.63 C ATOM 626 O MET A 62 27.853 -2.225 -8.501 1.00 3.99 O ATOM 627 CB MET A 62 25.610 -0.058 -8.609 1.00 3.56 C ATOM 628 CG MET A 62 24.262 0.469 -9.054 1.00 3.65 C ATOM 629 SD MET A 62 23.484 1.477 -7.778 1.00 3.98 S ATOM 630 CE MET A 62 24.410 3.005 -7.961 1.00 4.54 C ATOM 631 H MET A 62 25.417 -2.624 -9.639 1.00 0.00 H ATOM 632 N ASP A 63 28.780 -0.333 -9.321 1.00 3.71 N ATOM 633 CA ASP A 63 30.126 -0.632 -8.835 1.00 4.11 C ATOM 634 C ASP A 63 30.785 0.732 -8.636 1.00 4.16 C ATOM 635 O ASP A 63 31.116 1.400 -9.617 1.00 5.49 O ATOM 636 CB ASP A 63 30.853 -1.491 -9.871 1.00 4.83 C ATOM 637 CG ASP A 63 32.230 -1.948 -9.421 1.00 5.78 C ATOM 638 OD1 ASP A 63 32.796 -1.314 -8.508 1.00 6.10 O ATOM 639 OD2 ASP A 63 32.746 -2.934 -10.002 1.00 7.76 O ATOM 640 H ASP A 63 28.616 0.558 -9.832 1.00 0.00 H ATOM 641 N PHE A 64 30.906 1.166 -7.381 1.00 3.66 N ATOM 642 CA PHE A 64 31.267 2.549 -7.097 1.00 3.80 C ATOM 643 C PHE A 64 31.998 2.635 -5.761 1.00 3.51 C ATOM 644 O PHE A 64 32.076 1.670 -4.995 1.00 3.90 O ATOM 645 CB PHE A 64 30.014 3.443 -7.085 1.00 4.03 C ATOM 646 CG PHE A 64 28.983 2.999 -6.084 1.00 3.91 C ATOM 647 CD1 PHE A 64 29.044 3.420 -4.768 1.00 4.59 C ATOM 648 CD2 PHE A 64 27.975 2.119 -6.450 1.00 4.14 C ATOM 649 CE1 PHE A 64 28.116 2.981 -3.842 1.00 5.11 C ATOM 650 CE2 PHE A 64 27.043 1.680 -5.524 1.00 4.46 C ATOM 651 CZ PHE A 64 27.114 2.113 -4.223 1.00 4.90 C ATOM 652 H PHE A 64 30.740 0.508 -6.593 1.00 0.00 H ATOM 653 N GLN A 65 32.524 3.826 -5.487 1.00 3.71 N ATOM 654 CA GLN A 65 33.108 4.156 -4.198 1.00 3.96 C ATOM 655 C GLN A 65 32.136 5.064 -3.455 1.00 4.01 C ATOM 656 O GLN A 65 31.700 6.089 -3.991 1.00 4.41 O ATOM 657 CB GLN A 65 34.456 4.855 -4.381 1.00 4.52 C ATOM 658 CG GLN A 65 35.261 4.951 -3.102 1.00 5.35 C ATOM 659 CD GLN A 65 35.888 3.629 -2.669 1.00 6.02 C ATOM 660 OE1 GLN A 65 35.849 2.626 -3.388 1.00 6.45 O ATOM 661 NE2 GLN A 65 36.481 3.631 -1.481 1.00 7.51 N ATOM 662 HE22 GLN A 65 36.491 4.498 -0.906 1.00 0.00 H ATOM 663 HE21 GLN A 65 36.935 2.766 -1.125 1.00 0.00 H ATOM 664 H GLN A 65 32.517 4.554 -6.229 1.00 0.00 H ATOM 665 N VAL A 66 31.797 4.692 -2.222 1.00 4.39 N ATOM 666 CA VAL A 66 30.955 5.553 -1.407 1.00 5.04 C ATOM 667 C VAL A 66 31.659 6.887 -1.218 1.00 5.31 C ATOM 668 O VAL A 66 32.869 6.944 -0.961 1.00 6.82 O ATOM 669 CB VAL A 66 30.630 4.885 -0.060 1.00 6.22 C ATOM 670 CG1 VAL A 66 29.724 5.762 0.774 1.00 7.40 C ATOM 671 CG2 VAL A 66 29.955 3.532 -0.271 1.00 6.46 C ATOM 672 H VAL A 66 32.135 3.785 -1.842 1.00 0.00 H ATOM 673 N GLY A 67 30.894 7.972 -1.359 1.00 5.55 N ATOM 674 CA GLY A 67 31.375 9.320 -1.160 1.00 6.55 C ATOM 675 C GLY A 67 31.853 10.020 -2.413 1.00 7.38 C ATOM 676 O GLY A 67 32.082 11.235 -2.372 1.00 9.80 O ATOM 677 H GLY A 67 29.898 7.840 -1.627 1.00 0.00 H ATOM 678 N LYS A 68 32.019 9.300 -3.519 1.00 6.91 N ATOM 679 CA LYS A 68 32.623 9.843 -4.728 1.00 7.14 C ATOM 680 C LYS A 68 31.585 9.878 -5.843 1.00 6.55 C ATOM 681 O LYS A 68 31.108 8.825 -6.287 1.00 6.80 O ATOM 682 CB LYS A 68 33.834 9.007 -5.147 1.00 8.08 C ATOM 683 H LYS A 68 31.705 8.309 -3.521 1.00 0.00 H ATOM 684 N GLU A 69 31.277 11.089 -6.313 1.00 6.61 N ATOM 685 CA GLU A 69 30.346 11.255 -7.415 1.00 6.45 C ATOM 686 C GLU A 69 30.883 10.538 -8.640 1.00 6.18 C ATOM 687 O GLU A 69 32.083 10.563 -8.928 1.00 7.40 O ATOM 688 CB GLU A 69 30.127 12.737 -7.744 1.00 6.65 C ATOM 689 CG GLU A 69 29.077 12.976 -8.840 1.00 6.68 C ATOM 690 CD GLU A 69 28.753 14.447 -9.051 1.00 7.26 C ATOM 691 OE1 GLU A 69 29.537 15.137 -9.734 1.00 8.49 O ATOM 692 OE2 GLU A 69 27.712 14.910 -8.531 1.00 8.09 O ATOM 693 H GLU A 69 31.712 11.929 -5.882 1.00 0.00 H ATOM 694 N PHE A 70 29.978 9.897 -9.362 1.00 5.50 N ATOM 695 CA PHE A 70 30.338 9.154 -10.553 1.00 5.73 C ATOM 696 C PHE A 70 29.249 9.340 -11.589 1.00 5.21 C ATOM 697 O PHE A 70 28.123 9.730 -11.279 1.00 5.28 O ATOM 698 CB PHE A 70 30.566 7.653 -10.276 1.00 6.17 C ATOM 699 CG PHE A 70 29.365 6.928 -9.700 1.00 6.06 C ATOM 700 CD1 PHE A 70 29.110 6.963 -8.337 1.00 5.81 C ATOM 701 CD2 PHE A 70 28.521 6.190 -10.514 1.00 7.06 C ATOM 702 CE1 PHE A 70 28.028 6.284 -7.795 1.00 6.12 C ATOM 703 CE2 PHE A 70 27.435 5.513 -9.973 1.00 7.27 C ATOM 704 CZ PHE A 70 27.196 5.558 -8.611 1.00 6.83 C ATOM 705 H PHE A 70 28.981 9.927 -9.067 1.00 0.00 H ATOM 706 N GLU A 71 29.613 9.070 -12.835 1.00 5.55 N ATOM 707 CA GLU A 71 28.652 9.039 -13.924 1.00 5.87 C ATOM 708 C GLU A 71 27.999 7.665 -13.943 1.00 5.54 C ATOM 709 O GLU A 71 28.653 6.650 -14.216 1.00 7.00 O ATOM 710 CB GLU A 71 29.346 9.326 -15.244 1.00 7.37 C ATOM 711 CG GLU A 71 28.397 9.425 -16.393 1.00 9.77 C ATOM 712 CD GLU A 71 29.108 9.748 -17.680 1.00 12.05 C ATOM 713 OE1 GLU A 71 29.771 10.807 -17.753 1.00 13.73 O ATOM 714 OE2 GLU A 71 29.021 8.925 -18.612 1.00 14.17 O ATOM 715 H GLU A 71 30.614 8.875 -13.038 1.00 0.00 H ATOM 716 N GLU A 72 26.711 7.638 -13.637 1.00 4.92 N ATOM 717 CA GLU A 72 25.935 6.413 -13.551 1.00 4.66 C ATOM 718 C GLU A 72 25.229 6.181 -14.884 1.00 4.77 C ATOM 719 O GLU A 72 24.405 6.998 -15.306 1.00 5.60 O ATOM 720 CB GLU A 72 24.913 6.538 -12.425 1.00 4.47 C ATOM 721 CG GLU A 72 24.183 5.230 -12.159 1.00 4.43 C ATOM 722 CD GLU A 72 23.080 5.318 -11.118 1.00 4.43 C ATOM 723 OE1 GLU A 72 22.703 6.431 -10.702 1.00 5.31 O ATOM 724 OE2 GLU A 72 22.584 4.234 -10.736 1.00 4.57 O ATOM 725 H GLU A 72 26.230 8.541 -13.448 1.00 0.00 H ATOM 726 N ASP A 73 25.562 5.069 -15.538 1.00 4.80 N ATOM 727 CA ASP A 73 24.991 4.691 -16.828 1.00 5.09 C ATOM 728 C ASP A 73 23.779 3.807 -16.568 1.00 4.65 C ATOM 729 O ASP A 73 23.920 2.645 -16.173 1.00 5.06 O ATOM 730 CB ASP A 73 26.043 3.948 -17.648 1.00 5.99 C ATOM 731 CG ASP A 73 25.525 3.459 -18.996 1.00 6.89 C ATOM 732 OD1 ASP A 73 24.323 3.628 -19.291 1.00 7.13 O ATOM 733 OD2 ASP A 73 26.330 2.886 -19.766 1.00 9.11 O ATOM 734 H ASP A 73 26.266 4.436 -15.107 1.00 0.00 H ATOM 735 N LEU A 74 22.587 4.365 -16.783 1.00 4.87 N ATOM 736 CA LEU A 74 21.327 3.689 -16.501 1.00 5.13 C ATOM 737 C LEU A 74 20.755 2.976 -17.728 1.00 5.57 C ATOM 738 O LEU A 74 19.540 2.733 -17.807 1.00 5.92 O ATOM 739 CB LEU A 74 20.348 4.683 -15.875 1.00 5.59 C ATOM 740 CG LEU A 74 20.811 5.117 -14.477 1.00 6.15 C ATOM 741 CD1 LEU A 74 20.501 6.587 -14.226 1.00 6.94 C ATOM 742 CD2 LEU A 74 20.192 4.248 -13.401 1.00 6.16 C ATOM 743 H LEU A 74 22.555 5.329 -17.171 1.00 0.00 H ATOM 744 N THR A 75 21.615 2.605 -18.676 1.00 6.29 N ATOM 745 CA THR A 75 21.208 1.732 -19.768 1.00 7.18 C ATOM 746 C THR A 75 20.557 0.473 -19.212 1.00 7.32 C ATOM 747 O THR A 75 21.077 -0.159 -18.287 1.00 8.28 O ATOM 748 CB THR A 75 22.428 1.368 -20.619 1.00 8.50 C ATOM 749 OG1 THR A 75 22.958 2.554 -21.224 1.00 9.21 O ATOM 750 CG2 THR A 75 22.060 0.378 -21.718 1.00 8.95 C ATOM 751 HG1 THR A 75 23.747 2.318 -21.774 1.00 0.00 H ATOM 752 H THR A 75 22.597 2.946 -18.635 1.00 0.00 H ATOM 753 N GLY A 76 19.418 0.110 -19.792 1.00 7.84 N ATOM 754 CA GLY A 76 18.644 -1.026 -19.357 1.00 8.28 C ATOM 755 C GLY A 76 17.497 -0.674 -18.437 1.00 7.74 C ATOM 756 O GLY A 76 16.577 -1.487 -18.278 1.00 8.82 O ATOM 757 H GLY A 76 19.069 0.670 -20.596 1.00 0.00 H ATOM 758 N ILE A 77 17.540 0.505 -17.817 1.00 7.07 N ATOM 759 CA ILE A 77 16.417 1.031 -17.054 1.00 6.76 C ATOM 760 C ILE A 77 15.757 2.088 -17.934 1.00 6.20 C ATOM 761 O ILE A 77 14.900 1.760 -18.759 1.00 7.22 O ATOM 762 CB ILE A 77 16.848 1.553 -15.667 1.00 6.68 C ATOM 763 CG1 ILE A 77 17.523 0.428 -14.870 1.00 7.25 C ATOM 764 CG2 ILE A 77 15.644 2.096 -14.905 1.00 6.85 C ATOM 765 CD1 ILE A 77 18.121 0.876 -13.543 1.00 7.58 C ATOM 766 H ILE A 77 18.410 1.072 -17.881 1.00 0.00 H ATOM 767 N ASP A 78 16.178 3.346 -17.808 1.00 5.95 N ATOM 768 CA ASP A 78 15.644 4.432 -18.620 1.00 5.90 C ATOM 769 C ASP A 78 16.649 4.975 -19.629 1.00 6.09 C ATOM 770 O ASP A 78 16.339 5.938 -20.341 1.00 7.28 O ATOM 771 CB ASP A 78 15.101 5.565 -17.731 1.00 6.24 C ATOM 772 CG ASP A 78 16.156 6.179 -16.812 1.00 6.12 C ATOM 773 OD1 ASP A 78 17.041 5.443 -16.331 1.00 7.21 O ATOM 774 OD2 ASP A 78 16.074 7.402 -16.549 1.00 6.46 O ATOM 775 H ASP A 78 16.914 3.560 -17.105 1.00 0.00 H ATOM 776 N ASP A 79 17.845 4.389 -19.698 1.00 6.00 N ATOM 777 CA ASP A 79 18.859 4.718 -20.693 1.00 6.74 C ATOM 778 C ASP A 79 19.406 6.130 -20.542 1.00 6.70 C ATOM 779 O ASP A 79 19.977 6.681 -21.484 1.00 8.76 O ATOM 780 CB ASP A 79 18.343 4.454 -22.108 1.00 7.86 C ATOM 781 CG ASP A 79 17.823 3.050 -22.260 1.00 8.71 C ATOM 782 OD1 ASP A 79 18.517 2.124 -21.791 1.00 10.59 O ATOM 783 OD2 ASP A 79 16.708 2.880 -22.798 1.00 10.69 O ATOM 784 H ASP A 79 18.068 3.652 -18.999 1.00 0.00 H ATOM 785 N ARG A 80 19.290 6.706 -19.355 1.00 5.36 N ATOM 786 CA ARG A 80 19.835 8.011 -19.043 1.00 5.02 C ATOM 787 C ARG A 80 21.194 7.861 -18.367 1.00 4.92 C ATOM 788 O ARG A 80 21.674 6.756 -18.106 1.00 5.82 O ATOM 789 CB ARG A 80 18.860 8.782 -18.151 1.00 5.34 C ATOM 790 CG ARG A 80 17.592 9.203 -18.873 1.00 5.79 C ATOM 791 CD ARG A 80 16.839 10.265 -18.098 1.00 6.33 C ATOM 792 NE ARG A 80 15.625 10.693 -18.793 1.00 6.90 N ATOM 793 CZ ARG A 80 14.429 10.134 -18.643 1.00 6.99 C ATOM 794 NH1 ARG A 80 14.253 9.117 -17.814 1.00 7.22 N ATOM 795 NH2 ARG A 80 13.393 10.601 -19.325 1.00 7.60 N ATOM 796 HE ARG A 80 15.704 11.493 -19.453 1.00 0.00 H ATOM 797 HH12 ARG A 80 13.311 8.690 -17.707 1.00 0.00 H ATOM 798 HH11 ARG A 80 15.057 8.745 -17.269 1.00 0.00 H ATOM 799 HH22 ARG A 80 12.456 10.166 -19.210 1.00 0.00 H ATOM 800 HH21 ARG A 80 13.517 11.403 -19.975 1.00 0.00 H ATOM 801 H ARG A 80 18.780 6.194 -18.607 1.00 0.00 H ATOM 802 N LYS A 81 21.818 9.011 -18.127 1.00 5.32 N ATOM 803 CA LYS A 81 23.040 9.157 -17.353 1.00 6.00 C ATOM 804 C LYS A 81 22.726 10.081 -16.185 1.00 5.13 C ATOM 805 O LYS A 81 22.118 11.140 -16.393 1.00 5.87 O ATOM 806 CB LYS A 81 24.096 9.822 -18.248 1.00 7.85 C ATOM 807 CG LYS A 81 25.397 10.213 -17.568 1.00 8.80 C ATOM 808 CD LYS A 81 26.188 11.225 -18.402 1.00 9.51 C ATOM 809 CE LYS A 81 26.613 10.660 -19.751 1.00 9.92 C ATOM 810 NZ LYS A 81 27.757 11.408 -20.341 1.00 9.87 N ATOM 811 HZ1 LYS A 81 27.485 12.402 -20.478 1.00 0.00 H ATOM 812 HZ2 LYS A 81 28.572 11.356 -19.698 1.00 0.00 H ATOM 813 HZ3 LYS A 81 28.009 10.986 -21.258 1.00 0.00 H ATOM 814 H LYS A 81 21.398 9.875 -18.525 1.00 0.00 H ATOM 815 N CYS A 82 23.145 9.708 -14.978 1.00 4.42 N ATOM 816 CA CYS A 82 23.033 10.599 -13.838 1.00 4.16 C ATOM 817 C CYS A 82 24.411 10.844 -13.243 1.00 4.23 C ATOM 818 O CYS A 82 25.319 10.021 -13.376 1.00 4.86 O ATOM 819 CB CYS A 82 22.101 10.019 -12.769 1.00 4.16 C ATOM 820 SG CYS A 82 20.361 10.048 -13.253 1.00 4.78 S ATOM 821 H CYS A 82 23.559 8.763 -14.850 1.00 0.00 H ATOM 822 N MET A 83 24.563 11.990 -12.591 1.00 4.21 N ATOM 823 CA MET A 83 25.745 12.265 -11.784 1.00 4.35 C ATOM 824 C MET A 83 25.355 11.921 -10.354 1.00 3.90 C ATOM 825 O MET A 83 24.553 12.627 -9.721 1.00 4.27 O ATOM 826 CB MET A 83 26.220 13.704 -11.950 1.00 5.10 C ATOM 827 CG MET A 83 26.626 14.035 -13.398 1.00 6.21 C ATOM 828 SD MET A 83 27.850 12.905 -14.128 1.00 7.08 S ATOM 829 CE MET A 83 29.255 13.180 -13.053 1.00 8.13 C ATOM 830 H MET A 83 23.818 12.712 -12.658 1.00 0.00 H ATOM 831 N THR A 84 25.878 10.797 -9.879 1.00 3.80 N ATOM 832 CA THR A 84 25.333 10.103 -8.726 1.00 3.82 C ATOM 833 C THR A 84 26.353 10.041 -7.607 1.00 3.99 C ATOM 834 O THR A 84 27.540 9.805 -7.846 1.00 4.46 O ATOM 835 CB THR A 84 24.910 8.707 -9.167 1.00 3.92 C ATOM 836 OG1 THR A 84 23.857 8.874 -10.115 1.00 4.07 O ATOM 837 CG2 THR A 84 24.442 7.843 -7.999 1.00 4.07 C ATOM 838 HG1 THR A 84 23.552 7.986 -10.428 1.00 0.00 H ATOM 839 H THR A 84 26.713 10.397 -10.353 1.00 0.00 H ATOM 840 N THR A 85 25.874 10.245 -6.384 1.00 4.43 N ATOM 841 CA THR A 85 26.701 10.091 -5.199 1.00 5.09 C ATOM 842 C THR A 85 25.967 9.208 -4.207 1.00 4.94 C ATOM 843 O THR A 85 24.804 9.471 -3.884 1.00 4.89 O ATOM 844 CB THR A 85 27.003 11.443 -4.547 1.00 6.33 C ATOM 845 OG1 THR A 85 27.560 12.331 -5.518 1.00 6.97 O ATOM 846 CG2 THR A 85 28.007 11.277 -3.408 1.00 7.00 C ATOM 847 HG1 THR A 85 26.913 12.459 -6.256 1.00 0.00 H ATOM 848 H THR A 85 24.878 10.523 -6.272 1.00 0.00 H ATOM 849 N VAL A 86 26.652 8.172 -3.727 1.00 5.61 N ATOM 850 CA VAL A 86 26.157 7.300 -2.670 1.00 5.85 C ATOM 851 C VAL A 86 26.974 7.603 -1.421 1.00 6.21 C ATOM 852 O VAL A 86 28.207 7.606 -1.476 1.00 8.39 O ATOM 853 CB VAL A 86 26.296 5.820 -3.067 1.00 6.53 C ATOM 854 CG1 VAL A 86 25.762 4.917 -1.969 1.00 7.18 C ATOM 855 CG2 VAL A 86 25.585 5.536 -4.387 1.00 6.49 C ATOM 856 H VAL A 86 27.591 7.975 -4.128 1.00 0.00 H ATOM 857 N SER A 87 26.300 7.851 -0.300 1.00 5.23 N ATOM 858 CA SER A 87 26.958 8.292 0.923 1.00 5.62 C ATOM 859 C SER A 87 26.389 7.558 2.126 1.00 4.76 C ATOM 860 O SER A 87 25.215 7.190 2.140 1.00 5.00 O ATOM 861 CB SER A 87 26.715 9.782 1.140 1.00 6.51 C ATOM 862 OG SER A 87 27.125 10.513 0.005 1.00 7.91 O ATOM 863 HG SER A 87 26.609 10.212 -0.784 1.00 0.00 H ATOM 864 H SER A 87 25.268 7.726 -0.297 1.00 0.00 H ATOM 865 N TRP A 88 27.219 7.374 3.151 1.00 4.97 N ATOM 866 CA TRP A 88 26.726 6.849 4.414 1.00 5.19 C ATOM 867 C TRP A 88 25.976 7.931 5.181 1.00 5.43 C ATOM 868 O TRP A 88 26.366 9.104 5.195 1.00 6.64 O ATOM 869 CB TRP A 88 27.870 6.336 5.286 1.00 5.90 C ATOM 870 CG TRP A 88 28.505 5.084 4.799 1.00 7.08 C ATOM 871 CD1 TRP A 88 29.743 4.956 4.242 1.00 8.10 C ATOM 872 CD2 TRP A 88 27.938 3.776 4.829 1.00 8.09 C ATOM 873 NE1 TRP A 88 29.985 3.643 3.922 1.00 9.04 N ATOM 874 CE2 TRP A 88 28.887 2.898 4.266 1.00 8.91 C ATOM 875 CE3 TRP A 88 26.721 3.260 5.279 1.00 9.21 C ATOM 876 CZ2 TRP A 88 28.657 1.532 4.147 1.00 10.23 C ATOM 877 CZ3 TRP A 88 26.492 1.906 5.154 1.00 10.59 C ATOM 878 CH2 TRP A 88 27.457 1.057 4.596 1.00 10.82 C ATOM 879 HE1 TRP A 88 30.857 3.275 3.490 1.00 0.00 H ATOM 880 H TRP A 88 28.227 7.608 3.047 1.00 0.00 H ATOM 881 N ASP A 89 24.904 7.508 5.845 1.00 5.87 N ATOM 882 CA ASP A 89 24.085 8.341 6.722 1.00 6.70 C ATOM 883 C ASP A 89 23.806 7.456 7.937 1.00 6.89 C ATOM 884 O ASP A 89 22.764 6.807 8.026 1.00 7.81 O ATOM 885 CB ASP A 89 22.802 8.758 5.999 1.00 7.70 C ATOM 886 CG ASP A 89 21.799 9.452 6.903 1.00 9.15 C ATOM 887 OD1 ASP A 89 22.185 9.961 7.973 1.00 10.04 O ATOM 888 OD2 ASP A 89 20.611 9.499 6.519 1.00 11.36 O ATOM 889 H ASP A 89 24.629 6.512 5.732 1.00 0.00 H ATOM 890 N GLY A 90 24.760 7.400 8.859 1.00 7.47 N ATOM 891 CA GLY A 90 24.657 6.445 9.947 1.00 7.81 C ATOM 892 C GLY A 90 24.692 5.031 9.398 1.00 8.44 C ATOM 893 O GLY A 90 25.640 4.624 8.716 1.00 9.63 O ATOM 894 H GLY A 90 25.579 8.039 8.802 1.00 0.00 H ATOM 895 N ASP A 91 23.637 4.275 9.682 1.00 8.98 N ATOM 896 CA ASP A 91 23.507 2.897 9.236 1.00 10.11 C ATOM 897 C ASP A 91 22.801 2.776 7.891 1.00 9.04 C ATOM 898 O ASP A 91 22.574 1.655 7.422 1.00 9.92 O ATOM 899 CB ASP A 91 22.751 2.092 10.300 1.00 12.38 C ATOM 900 CG ASP A 91 23.589 1.839 11.547 1.00 14.99 C ATOM 901 OD1 ASP A 91 24.813 2.088 11.511 1.00 16.86 O ATOM 902 OD2 ASP A 91 23.022 1.378 12.562 1.00 18.09 O ATOM 903 H ASP A 91 22.869 4.688 10.249 1.00 0.00 H ATOM 904 N LYS A 92 22.465 3.895 7.256 1.00 8.45 N ATOM 905 CA LYS A 92 21.781 3.886 5.978 1.00 8.01 C ATOM 906 C LYS A 92 22.724 4.341 4.873 1.00 6.56 C ATOM 907 O LYS A 92 23.687 5.076 5.104 1.00 7.30 O ATOM 908 CB LYS A 92 20.551 4.793 6.020 1.00 10.00 C ATOM 909 CG LYS A 92 19.591 4.432 7.140 1.00 12.37 C ATOM 910 CD LYS A 92 18.345 5.297 7.127 1.00 15.10 C ATOM 911 CE LYS A 92 17.546 5.127 8.412 1.00 16.83 C ATOM 912 NZ LYS A 92 17.167 3.706 8.659 1.00 17.73 N ATOM 913 HZ1 LYS A 92 16.585 3.361 7.869 1.00 0.00 H ATOM 914 HZ2 LYS A 92 18.028 3.127 8.735 1.00 0.00 H ATOM 915 HZ3 LYS A 92 16.625 3.642 9.544 1.00 0.00 H ATOM 916 H LYS A 92 22.701 4.809 7.692 1.00 0.00 H ATOM 917 N LEU A 93 22.430 3.879 3.672 1.00 5.42 N ATOM 918 CA LEU A 93 23.117 4.295 2.453 1.00 5.43 C ATOM 919 C LEU A 93 22.170 5.202 1.692 1.00 4.67 C ATOM 920 O LEU A 93 21.043 4.801 1.397 1.00 5.31 O ATOM 921 CB LEU A 93 23.424 3.093 1.565 1.00 6.76 C ATOM 922 CG LEU A 93 24.726 2.327 1.729 1.00 7.19 C ATOM 923 CD1 LEU A 93 24.707 1.166 0.750 1.00 7.93 C ATOM 924 CD2 LEU A 93 25.940 3.211 1.505 1.00 7.62 C ATOM 925 H LEU A 93 21.665 3.179 3.589 1.00 0.00 H ATOM 926 N GLN A 94 22.617 6.417 1.387 1.00 4.26 N ATOM 927 CA GLN A 94 21.815 7.408 0.683 1.00 4.49 C ATOM 928 C GLN A 94 22.392 7.622 -0.705 1.00 4.56 C ATOM 929 O GLN A 94 23.602 7.776 -0.861 1.00 7.16 O ATOM 930 CB GLN A 94 21.857 8.756 1.407 1.00 5.28 C ATOM 931 CG GLN A 94 21.321 8.734 2.816 1.00 6.06 C ATOM 932 CD GLN A 94 19.810 8.579 2.887 1.00 6.42 C ATOM 933 OE1 GLN A 94 19.126 8.445 1.872 1.00 6.44 O ATOM 934 NE2 GLN A 94 19.286 8.603 4.100 1.00 7.59 N ATOM 935 HE22 GLN A 94 19.902 8.718 4.930 1.00 0.00 H ATOM 936 HE21 GLN A 94 18.258 8.507 4.224 1.00 0.00 H ATOM 937 H GLN A 94 23.586 6.672 1.665 1.00 0.00 H ATOM 938 N CYS A 95 21.526 7.664 -1.707 1.00 3.66 N ATOM 939 CA CYS A 95 21.954 7.879 -3.080 1.00 3.63 C ATOM 940 C CYS A 95 21.173 9.039 -3.681 1.00 3.53 C ATOM 941 O CYS A 95 19.938 9.054 -3.618 1.00 3.86 O ATOM 942 CB CYS A 95 21.730 6.615 -3.903 1.00 3.69 C ATOM 943 SG CYS A 95 22.205 6.806 -5.637 1.00 4.25 S ATOM 944 H CYS A 95 20.513 7.540 -1.506 1.00 0.00 H ATOM 945 N VAL A 96 21.899 10.002 -4.253 1.00 3.61 N ATOM 946 CA VAL A 96 21.321 11.115 -4.997 1.00 3.84 C ATOM 947 C VAL A 96 21.764 10.964 -6.444 1.00 3.43 C ATOM 948 O VAL A 96 22.965 10.871 -6.721 1.00 3.88 O ATOM 949 CB VAL A 96 21.784 12.468 -4.423 1.00 5.22 C ATOM 950 CG1 VAL A 96 21.237 13.628 -5.251 1.00 6.03 C ATOM 951 CG2 VAL A 96 21.374 12.607 -2.964 1.00 6.06 C ATOM 952 H VAL A 96 22.934 9.956 -4.163 1.00 0.00 H ATOM 953 N GLN A 97 20.796 10.940 -7.364 1.00 3.47 N ATOM 954 CA GLN A 97 21.036 10.738 -8.797 1.00 3.63 C ATOM 955 C GLN A 97 20.659 12.032 -9.522 1.00 3.83 C ATOM 956 O GLN A 97 19.491 12.250 -9.847 1.00 4.34 O ATOM 957 CB GLN A 97 20.189 9.568 -9.301 1.00 3.72 C ATOM 958 CG GLN A 97 20.546 8.238 -8.651 1.00 3.74 C ATOM 959 CD GLN A 97 19.528 7.174 -8.972 1.00 3.99 C ATOM 960 OE1 GLN A 97 18.399 7.214 -8.472 1.00 4.77 O ATOM 961 NE2 GLN A 97 19.900 6.236 -9.830 1.00 4.74 N ATOM 962 HE22 GLN A 97 20.862 6.244 -10.224 1.00 0.00 H ATOM 963 HE21 GLN A 97 19.230 5.491 -10.109 1.00 0.00 H ATOM 964 H GLN A 97 19.815 11.072 -7.046 1.00 0.00 H ATOM 965 N LYS A 98 21.645 12.899 -9.771 1.00 4.31 N ATOM 966 CA LYS A 98 21.404 14.183 -10.429 1.00 4.88 C ATOM 967 C LYS A 98 21.196 13.970 -11.921 1.00 4.59 C ATOM 968 O LYS A 98 21.982 13.268 -12.563 1.00 5.30 O ATOM 969 CB LYS A 98 22.612 15.109 -10.277 1.00 6.09 C ATOM 970 CG LYS A 98 23.040 15.467 -8.869 1.00 8.24 C ATOM 971 CD LYS A 98 24.302 16.330 -8.931 1.00 10.90 C ATOM 972 CE LYS A 98 24.849 16.680 -7.559 1.00 13.66 C ATOM 973 NZ LYS A 98 26.113 17.468 -7.658 1.00 15.75 N ATOM 974 HZ1 LYS A 98 26.829 16.910 -8.166 1.00 0.00 H ATOM 975 HZ2 LYS A 98 25.930 18.352 -8.175 1.00 0.00 H ATOM 976 HZ3 LYS A 98 26.458 17.689 -6.702 1.00 0.00 H ATOM 977 H LYS A 98 22.615 12.653 -9.488 1.00 0.00 H ATOM 978 N GLY A 99 20.173 14.606 -12.482 1.00 4.87 N ATOM 979 CA GLY A 99 19.901 14.447 -13.901 1.00 5.16 C ATOM 980 C GLY A 99 18.539 14.999 -14.261 1.00 5.11 C ATOM 981 O GLY A 99 18.019 15.898 -13.595 1.00 6.65 O ATOM 982 H GLY A 99 19.565 15.220 -11.904 1.00 0.00 H ATOM 983 N GLU A 100 17.967 14.439 -15.326 1.00 4.83 N ATOM 984 CA GLU A 100 16.744 14.986 -15.908 1.00 5.17 C ATOM 985 C GLU A 100 15.593 14.987 -14.911 1.00 5.35 C ATOM 986 O GLU A 100 14.835 15.959 -14.828 1.00 6.44 O ATOM 987 CB GLU A 100 16.375 14.174 -17.149 1.00 6.08 C ATOM 988 CG GLU A 100 14.991 14.440 -17.724 1.00 6.98 C ATOM 989 CD GLU A 100 14.763 15.873 -18.170 1.00 7.42 C ATOM 990 OE1 GLU A 100 13.577 16.249 -18.275 1.00 9.29 O ATOM 991 OE2 GLU A 100 15.735 16.622 -18.429 1.00 7.88 O ATOM 992 H GLU A 100 18.400 13.595 -15.752 1.00 0.00 H ATOM 993 N LYS A 101 15.421 13.894 -14.178 1.00 5.38 N ATOM 994 CA LYS A 101 14.304 13.774 -13.253 1.00 5.83 C ATOM 995 C LYS A 101 14.634 14.408 -11.908 1.00 5.93 C ATOM 996 O LYS A 101 15.728 14.224 -11.366 1.00 6.81 O ATOM 997 CB LYS A 101 13.958 12.300 -13.055 1.00 6.43 C ATOM 998 CG LYS A 101 13.515 11.622 -14.331 1.00 7.19 C ATOM 999 CD LYS A 101 12.284 12.296 -14.935 1.00 8.06 C ATOM 1000 CE LYS A 101 11.841 11.575 -16.191 1.00 8.54 C ATOM 1001 NZ LYS A 101 10.707 12.274 -16.851 1.00 9.41 N ATOM 1002 HZ1 LYS A 101 9.901 12.319 -16.196 1.00 0.00 H ATOM 1003 HZ2 LYS A 101 10.999 13.238 -17.110 1.00 0.00 H ATOM 1004 HZ3 LYS A 101 10.431 11.752 -17.707 1.00 0.00 H ATOM 1005 H LYS A 101 16.097 13.109 -14.266 1.00 0.00 H ATOM 1006 N GLU A 102 13.668 15.147 -11.367 1.00 6.18 N ATOM 1007 CA GLU A 102 13.818 15.727 -10.045 1.00 6.40 C ATOM 1008 C GLU A 102 13.610 14.663 -8.974 1.00 5.55 C ATOM 1009 O GLU A 102 12.859 13.701 -9.155 1.00 5.55 O ATOM 1010 CB GLU A 102 12.800 16.850 -9.849 1.00 7.17 C ATOM 1011 CG GLU A 102 12.966 18.008 -10.813 1.00 8.13 C ATOM 1012 CD GLU A 102 14.196 18.849 -10.527 1.00 10.00 C ATOM 1013 OE1 GLU A 102 14.767 18.733 -9.421 1.00 11.60 O ATOM 1014 OE2 GLU A 102 14.585 19.641 -11.411 1.00 11.75 O ATOM 1015 H GLU A 102 12.791 15.312 -11.901 1.00 0.00 H ATOM 1016 N GLY A 103 14.290 14.849 -7.847 1.00 5.64 N ATOM 1017 CA GLY A 103 14.044 14.011 -6.689 1.00 5.21 C ATOM 1018 C GLY A 103 14.382 12.555 -6.891 1.00 4.30 C ATOM 1019 O GLY A 103 13.772 11.690 -6.252 1.00 4.38 O ATOM 1020 H GLY A 103 15.005 15.602 -7.795 1.00 0.00 H ATOM 1021 N ARG A 104 15.354 12.263 -7.747 1.00 4.08 N ATOM 1022 CA ARG A 104 15.715 10.890 -8.073 1.00 3.63 C ATOM 1023 C ARG A 104 16.815 10.411 -7.133 1.00 3.40 C ATOM 1024 O ARG A 104 17.878 11.037 -7.034 1.00 3.79 O ATOM 1025 CB ARG A 104 16.183 10.790 -9.523 1.00 3.83 C ATOM 1026 CG ARG A 104 16.323 9.350 -10.008 1.00 3.82 C ATOM 1027 CD ARG A 104 16.857 9.273 -11.425 1.00 4.00 C ATOM 1028 NE ARG A 104 16.945 7.889 -11.876 1.00 4.17 N ATOM 1029 CZ ARG A 104 16.977 7.507 -13.148 1.00 4.27 C ATOM 1030 NH1 ARG A 104 16.971 8.398 -14.131 1.00 4.56 N ATOM 1031 NH2 ARG A 104 17.000 6.218 -13.447 1.00 4.69 N ATOM 1032 HE ARG A 104 16.986 7.147 -11.149 1.00 0.00 H ATOM 1033 HH12 ARG A 104 16.996 8.080 -15.121 1.00 0.00 H ATOM 1034 HH11 ARG A 104 16.941 9.414 -13.912 1.00 0.00 H ATOM 1035 HH22 ARG A 104 17.025 5.915 -14.442 1.00 0.00 H ATOM 1036 HH21 ARG A 104 16.993 5.508 -12.687 1.00 0.00 H ATOM 1037 H ARG A 104 15.875 13.041 -8.200 1.00 0.00 H ATOM 1038 N GLY A 105 16.559 9.306 -6.447 1.00 3.38 N ATOM 1039 CA GLY A 105 17.551 8.739 -5.561 1.00 3.48 C ATOM 1040 C GLY A 105 16.956 7.565 -4.814 1.00 3.25 C ATOM 1041 O GLY A 105 15.886 7.066 -5.166 1.00 3.92 O ATOM 1042 H GLY A 105 15.634 8.842 -6.547 1.00 0.00 H ATOM 1043 N TRP A 106 17.670 7.122 -3.786 1.00 2.89 N ATOM 1044 CA TRP A 106 17.204 5.978 -3.019 1.00 2.75 C ATOM 1045 C TRP A 106 17.907 5.935 -1.673 1.00 2.73 C ATOM 1046 O TRP A 106 18.917 6.609 -1.449 1.00 3.05 O ATOM 1047 CB TRP A 106 17.363 4.654 -3.784 1.00 2.93 C ATOM 1048 CG TRP A 106 18.693 4.373 -4.431 1.00 3.09 C ATOM 1049 CD1 TRP A 106 18.993 4.547 -5.750 1.00 3.43 C ATOM 1050 CD2 TRP A 106 19.872 3.805 -3.823 1.00 3.12 C ATOM 1051 NE1 TRP A 106 20.279 4.137 -6.003 1.00 3.70 N ATOM 1052 CE2 TRP A 106 20.839 3.676 -4.841 1.00 3.45 C ATOM 1053 CE3 TRP A 106 20.207 3.414 -2.519 1.00 3.34 C ATOM 1054 CZ2 TRP A 106 22.118 3.169 -4.596 1.00 3.77 C ATOM 1055 CZ3 TRP A 106 21.481 2.918 -2.276 1.00 3.80 C ATOM 1056 CH2 TRP A 106 22.419 2.799 -3.310 1.00 3.88 C ATOM 1057 HE1 TRP A 106 20.752 4.171 -6.929 1.00 0.00 H ATOM 1058 H TRP A 106 18.561 7.593 -3.530 1.00 0.00 H ATOM 1059 N THR A 107 17.336 5.136 -0.772 1.00 2.78 N ATOM 1060 CA THR A 107 17.890 4.889 0.549 1.00 3.09 C ATOM 1061 C THR A 107 17.844 3.388 0.792 1.00 2.80 C ATOM 1062 O THR A 107 16.815 2.754 0.540 1.00 3.14 O ATOM 1063 CB THR A 107 17.075 5.606 1.636 1.00 3.72 C ATOM 1064 OG1 THR A 107 16.942 6.994 1.311 1.00 4.09 O ATOM 1065 CG2 THR A 107 17.724 5.454 3.011 1.00 4.20 C ATOM 1066 HG1 THR A 107 17.841 7.405 1.252 1.00 0.00 H ATOM 1067 H THR A 107 16.446 4.664 -1.028 1.00 0.00 H ATOM 1068 N GLN A 108 18.950 2.829 1.286 1.00 2.93 N ATOM 1069 CA GLN A 108 19.068 1.398 1.520 1.00 3.05 C ATOM 1070 C GLN A 108 19.527 1.161 2.953 1.00 3.02 C ATOM 1071 O GLN A 108 20.400 1.877 3.459 1.00 3.62 O ATOM 1072 CB GLN A 108 20.061 0.794 0.524 1.00 3.51 C ATOM 1073 CG GLN A 108 20.123 -0.712 0.527 1.00 3.90 C ATOM 1074 CD GLN A 108 21.040 -1.212 -0.560 1.00 4.88 C ATOM 1075 OE1 GLN A 108 20.652 -1.311 -1.719 1.00 6.65 O ATOM 1076 NE2 GLN A 108 22.278 -1.502 -0.194 1.00 5.65 N ATOM 1077 HE22 GLN A 108 22.563 -1.403 0.801 1.00 0.00 H ATOM 1078 HE21 GLN A 108 22.966 -1.829 -0.902 1.00 0.00 H ATOM 1079 H GLN A 108 19.760 3.441 1.513 1.00 0.00 H ATOM 1080 N TRP A 109 18.942 0.159 3.610 1.00 3.18 N ATOM 1081 CA TRP A 109 19.278 -0.124 5.000 1.00 3.42 C ATOM 1082 C TRP A 109 18.920 -1.573 5.306 1.00 3.45 C ATOM 1083 O TRP A 109 18.345 -2.271 4.471 1.00 3.80 O ATOM 1084 CB TRP A 109 18.583 0.869 5.939 1.00 3.87 C ATOM 1085 CG TRP A 109 17.081 0.740 6.070 1.00 4.08 C ATOM 1086 CD1 TRP A 109 16.417 0.096 7.067 1.00 4.38 C ATOM 1087 CD2 TRP A 109 16.066 1.307 5.215 1.00 4.20 C ATOM 1088 NE1 TRP A 109 15.058 0.222 6.900 1.00 4.78 N ATOM 1089 CE2 TRP A 109 14.814 0.963 5.775 1.00 4.48 C ATOM 1090 CE3 TRP A 109 16.093 2.071 4.042 1.00 4.54 C ATOM 1091 CZ2 TRP A 109 13.601 1.351 5.199 1.00 4.89 C ATOM 1092 CZ3 TRP A 109 14.882 2.450 3.467 1.00 4.97 C ATOM 1093 CH2 TRP A 109 13.655 2.095 4.052 1.00 5.06 C ATOM 1094 HE1 TRP A 109 14.333 -0.181 7.527 1.00 0.00 H ATOM 1095 H TRP A 109 18.236 -0.429 3.124 1.00 0.00 H ATOM 1096 N ILE A 110 19.274 -2.021 6.510 1.00 3.95 N ATOM 1097 CA ILE A 110 19.012 -3.388 6.952 1.00 4.39 C ATOM 1098 C ILE A 110 18.190 -3.346 8.232 1.00 4.81 C ATOM 1099 O ILE A 110 18.449 -2.529 9.123 1.00 5.89 O ATOM 1100 CB ILE A 110 20.325 -4.176 7.166 1.00 5.30 C ATOM 1101 CG1 ILE A 110 20.964 -4.485 5.813 1.00 6.21 C ATOM 1102 CG2 ILE A 110 20.087 -5.475 7.935 1.00 5.96 C ATOM 1103 CD1 ILE A 110 22.384 -5.008 5.890 1.00 7.20 C ATOM 1104 H ILE A 110 19.757 -1.370 7.162 1.00 0.00 H ATOM 1105 N GLU A 111 17.197 -4.235 8.318 1.00 4.81 N ATOM 1106 CA GLU A 111 16.458 -4.505 9.554 1.00 5.48 C ATOM 1107 C GLU A 111 16.512 -6.018 9.763 1.00 5.93 C ATOM 1108 O GLU A 111 15.813 -6.761 9.071 1.00 6.20 O ATOM 1109 CB GLU A 111 15.003 -4.020 9.458 1.00 6.22 C ATOM 1110 CG GLU A 111 14.848 -2.521 9.188 1.00 6.89 C ATOM 1111 CD GLU A 111 13.394 -2.032 9.165 1.00 7.62 C ATOM 1112 OE1 GLU A 111 12.577 -2.516 9.972 1.00 9.67 O ATOM 1113 OE2 GLU A 111 13.074 -1.148 8.341 1.00 7.61 O ATOM 1114 H GLU A 111 16.934 -4.764 7.462 1.00 0.00 H ATOM 1115 N GLY A 112 17.352 -6.490 10.679 1.00 7.21 N ATOM 1116 CA GLY A 112 17.444 -7.930 10.894 1.00 7.76 C ATOM 1117 C GLY A 112 18.001 -8.619 9.660 1.00 7.94 C ATOM 1118 O GLY A 112 19.090 -8.289 9.181 1.00 9.53 O ATOM 1119 H GLY A 112 17.939 -5.838 11.238 1.00 0.00 H ATOM 1120 N ASP A 113 17.258 -9.603 9.148 1.00 7.50 N ATOM 1121 CA ASP A 113 17.627 -10.322 7.935 1.00 7.55 C ATOM 1122 C ASP A 113 16.995 -9.726 6.681 1.00 6.13 C ATOM 1123 O ASP A 113 17.005 -10.370 5.624 1.00 6.88 O ATOM 1124 CB ASP A 113 17.304 -11.819 8.065 1.00 8.89 C ATOM 1125 CG ASP A 113 15.810 -12.121 8.088 1.00 10.00 C ATOM 1126 OD1 ASP A 113 14.999 -11.176 8.065 1.00 10.82 O ATOM 1127 OD2 ASP A 113 15.450 -13.323 8.145 1.00 12.40 O ATOM 1128 H ASP A 113 16.378 -9.868 9.635 1.00 0.00 H ATOM 1129 N GLU A 114 16.473 -8.504 6.776 1.00 5.02 N ATOM 1130 CA GLU A 114 15.820 -7.827 5.667 1.00 4.76 C ATOM 1131 C GLU A 114 16.679 -6.685 5.138 1.00 4.16 C ATOM 1132 O GLU A 114 17.127 -5.824 5.904 1.00 4.77 O ATOM 1133 CB GLU A 114 14.486 -7.222 6.113 1.00 5.45 C ATOM 1134 CG GLU A 114 13.429 -8.241 6.491 1.00 6.68 C ATOM 1135 CD GLU A 114 12.160 -7.613 7.066 1.00 8.14 C ATOM 1136 OE1 GLU A 114 12.177 -6.418 7.435 1.00 8.24 O ATOM 1137 OE2 GLU A 114 11.137 -8.322 7.149 1.00 11.06 O ATOM 1138 H GLU A 114 16.536 -8.010 7.689 1.00 0.00 H ATOM 1139 N LEU A 115 16.860 -6.661 3.820 1.00 3.55 N ATOM 1140 CA LEU A 115 17.404 -5.510 3.114 1.00 3.26 C ATOM 1141 C LEU A 115 16.230 -4.661 2.638 1.00 3.01 C ATOM 1142 O LEU A 115 15.348 -5.163 1.929 1.00 3.49 O ATOM 1143 CB LEU A 115 18.229 -5.982 1.919 1.00 3.54 C ATOM 1144 CG LEU A 115 18.854 -4.887 1.061 1.00 3.61 C ATOM 1145 CD1 LEU A 115 19.984 -4.224 1.825 1.00 3.97 C ATOM 1146 CD2 LEU A 115 19.361 -5.472 -0.246 1.00 3.78 C ATOM 1147 H LEU A 115 16.601 -7.504 3.269 1.00 0.00 H ATOM 1148 N HIS A 116 16.219 -3.395 3.033 1.00 2.93 N ATOM 1149 CA HIS A 116 15.179 -2.443 2.676 1.00 3.04 C ATOM 1150 C HIS A 116 15.733 -1.436 1.680 1.00 2.75 C ATOM 1151 O HIS A 116 16.838 -0.916 1.857 1.00 3.09 O ATOM 1152 CB HIS A 116 14.714 -1.699 3.925 1.00 3.53 C ATOM 1153 CG HIS A 116 13.869 -2.536 4.821 1.00 3.97 C ATOM 1154 ND1 HIS A 116 12.525 -2.300 4.998 1.00 4.73 N ATOM 1155 CD2 HIS A 116 14.169 -3.633 5.558 1.00 4.40 C ATOM 1156 CE1 HIS A 116 12.034 -3.212 5.816 1.00 5.18 C ATOM 1157 NE2 HIS A 116 13.008 -4.034 6.167 1.00 5.03 N ATOM 1158 H HIS A 116 17.000 -3.063 3.634 1.00 0.00 H ATOM 1159 N LEU A 117 14.947 -1.148 0.645 1.00 2.76 N ATOM 1160 CA LEU A 117 15.355 -0.208 -0.392 1.00 2.83 C ATOM 1161 C LEU A 117 14.152 0.643 -0.773 1.00 2.80 C ATOM 1162 O LEU A 117 13.154 0.121 -1.279 1.00 3.35 O ATOM 1163 CB LEU A 117 15.894 -0.952 -1.615 1.00 3.19 C ATOM 1164 CG LEU A 117 16.289 -0.075 -2.802 1.00 3.75 C ATOM 1165 CD1 LEU A 117 17.465 0.848 -2.464 1.00 4.02 C ATOM 1166 CD2 LEU A 117 16.619 -0.955 -3.985 1.00 4.52 C ATOM 1167 H LEU A 117 14.016 -1.606 0.574 1.00 0.00 H ATOM 1168 N GLU A 118 14.248 1.948 -0.534 1.00 2.78 N ATOM 1169 CA GLU A 118 13.236 2.899 -0.976 1.00 2.90 C ATOM 1170 C GLU A 118 13.801 3.659 -2.170 1.00 2.73 C ATOM 1171 O GLU A 118 14.803 4.372 -2.033 1.00 3.20 O ATOM 1172 CB GLU A 118 12.871 3.882 0.141 1.00 3.58 C ATOM 1173 CG GLU A 118 11.764 4.840 -0.297 1.00 4.38 C ATOM 1174 CD GLU A 118 11.383 5.868 0.748 1.00 5.26 C ATOM 1175 OE1 GLU A 118 10.540 5.552 1.614 1.00 6.31 O ATOM 1176 OE2 GLU A 118 11.891 7.007 0.685 1.00 6.66 O ATOM 1177 H GLU A 118 15.075 2.303 -0.013 1.00 0.00 H ATOM 1178 N MET A 119 13.180 3.488 -3.336 1.00 2.76 N ATOM 1179 CA MET A 119 13.563 4.192 -4.552 1.00 2.88 C ATOM 1180 C MET A 119 12.565 5.315 -4.809 1.00 2.92 C ATOM 1181 O MET A 119 11.350 5.126 -4.677 1.00 3.54 O ATOM 1182 CB MET A 119 13.587 3.246 -5.758 1.00 3.37 C ATOM 1183 CG MET A 119 14.571 2.100 -5.637 1.00 3.71 C ATOM 1184 SD MET A 119 14.711 1.091 -7.136 1.00 3.90 S ATOM 1185 CE MET A 119 13.062 0.389 -7.245 1.00 4.82 C ATOM 1186 H MET A 119 12.384 2.820 -3.380 1.00 0.00 H ATOM 1187 N ARG A 120 13.087 6.484 -5.185 1.00 2.92 N ATOM 1188 CA ARG A 120 12.300 7.700 -5.330 1.00 3.24 C ATOM 1189 C ARG A 120 12.594 8.372 -6.664 1.00 3.19 C ATOM 1190 O ARG A 120 13.747 8.424 -7.104 1.00 3.41 O ATOM 1191 CB ARG A 120 12.668 8.703 -4.222 1.00 3.78 C ATOM 1192 CG ARG A 120 12.300 8.252 -2.821 1.00 4.05 C ATOM 1193 CD ARG A 120 12.753 9.259 -1.775 1.00 4.53 C ATOM 1194 NE ARG A 120 14.209 9.369 -1.728 1.00 4.60 N ATOM 1195 CZ ARG A 120 15.002 8.629 -0.955 1.00 4.82 C ATOM 1196 NH1 ARG A 120 14.503 7.728 -0.118 1.00 5.19 N ATOM 1197 NH2 ARG A 120 16.313 8.795 -1.018 1.00 5.33 N ATOM 1198 HE ARG A 120 14.659 10.077 -2.343 1.00 0.00 H ATOM 1199 HH12 ARG A 120 15.141 7.161 0.476 1.00 0.00 H ATOM 1200 HH11 ARG A 120 13.474 7.589 -0.057 1.00 0.00 H ATOM 1201 HH22 ARG A 120 16.939 8.221 -0.418 1.00 0.00 H ATOM 1202 HH21 ARG A 120 16.717 9.499 -1.668 1.00 0.00 H ATOM 1203 H ARG A 120 14.107 6.529 -5.384 1.00 0.00 H ATOM 1204 N VAL A 121 11.556 8.946 -7.276 1.00 3.28 N ATOM 1205 CA VAL A 121 11.742 9.866 -8.393 1.00 3.44 C ATOM 1206 C VAL A 121 10.474 10.685 -8.555 1.00 3.82 C ATOM 1207 O VAL A 121 9.371 10.136 -8.516 1.00 3.94 O ATOM 1208 CB VAL A 121 12.126 9.138 -9.698 1.00 3.93 C ATOM 1209 CG1 VAL A 121 11.000 8.222 -10.200 1.00 4.37 C ATOM 1210 CG2 VAL A 121 12.528 10.153 -10.761 1.00 4.39 C ATOM 1211 H VAL A 121 10.592 8.732 -6.949 1.00 0.00 H ATOM 1212 N GLU A 122 10.619 11.999 -8.724 1.00 4.31 N ATOM 1213 CA GLU A 122 9.486 12.884 -9.005 1.00 5.13 C ATOM 1214 C GLU A 122 8.340 12.678 -8.010 1.00 5.47 C ATOM 1215 O GLU A 122 7.161 12.736 -8.367 1.00 7.01 O ATOM 1216 CB GLU A 122 9.006 12.727 -10.451 1.00 6.13 C ATOM 1217 CG GLU A 122 10.042 13.127 -11.513 1.00 6.86 C ATOM 1218 CD GLU A 122 10.141 14.626 -11.750 1.00 7.37 C ATOM 1219 OE1 GLU A 122 11.070 15.046 -12.478 1.00 8.56 O ATOM 1220 OE2 GLU A 122 9.299 15.381 -11.219 1.00 8.47 O ATOM 1221 H GLU A 122 11.571 12.411 -8.654 1.00 0.00 H ATOM 1222 N GLY A 123 8.684 12.465 -6.737 1.00 5.37 N ATOM 1223 CA GLY A 123 7.681 12.286 -5.699 1.00 5.69 C ATOM 1224 C GLY A 123 7.045 10.908 -5.625 1.00 5.53 C ATOM 1225 O GLY A 123 6.247 10.661 -4.709 1.00 7.29 O ATOM 1226 H GLY A 123 9.692 12.426 -6.482 1.00 0.00 H ATOM 1227 N VAL A 124 7.359 10.013 -6.568 1.00 4.67 N ATOM 1228 CA VAL A 124 6.897 8.629 -6.581 1.00 4.44 C ATOM 1229 C VAL A 124 7.855 7.791 -5.745 1.00 4.29 C ATOM 1230 O VAL A 124 9.072 8.029 -5.745 1.00 4.83 O ATOM 1231 CB VAL A 124 6.824 8.116 -8.032 1.00 5.38 C ATOM 1232 CG1 VAL A 124 6.372 6.663 -8.090 1.00 5.81 C ATOM 1233 CG2 VAL A 124 5.892 9.005 -8.853 1.00 6.27 C ATOM 1234 H VAL A 124 7.975 10.325 -7.346 1.00 0.00 H ATOM 1235 N VAL A 125 7.312 6.808 -5.030 1.00 4.30 N ATOM 1236 CA VAL A 125 8.095 5.961 -4.134 1.00 4.77 C ATOM 1237 C VAL A 125 7.815 4.500 -4.454 1.00 4.02 C ATOM 1238 O VAL A 125 6.652 4.085 -4.491 1.00 4.58 O ATOM 1239 CB VAL A 125 7.757 6.238 -2.656 1.00 7.61 C ATOM 1240 CG1 VAL A 125 8.602 5.368 -1.743 1.00 9.79 C ATOM 1241 CG2 VAL A 125 7.952 7.705 -2.322 1.00 9.86 C ATOM 1242 H VAL A 125 6.290 6.636 -5.113 1.00 0.00 H ATOM 1243 N CYS A 126 8.878 3.720 -4.643 1.00 3.64 N ATOM 1244 CA CYS A 126 8.804 2.267 -4.724 1.00 3.42 C ATOM 1245 C CYS A 126 9.605 1.697 -3.561 1.00 3.25 C ATOM 1246 O CYS A 126 10.742 2.114 -3.326 1.00 4.29 O ATOM 1247 CB CYS A 126 9.366 1.774 -6.061 1.00 3.83 C ATOM 1248 SG CYS A 126 9.727 0.000 -6.152 1.00 3.60 S ATOM 1249 H CYS A 126 9.810 4.172 -4.738 1.00 0.00 H ATOM 1250 N LYS A 127 9.008 0.766 -2.817 1.00 2.96 N ATOM 1251 CA LYS A 127 9.659 0.164 -1.659 1.00 3.05 C ATOM 1252 C LYS A 127 9.847 -1.325 -1.904 1.00 2.91 C ATOM 1253 O LYS A 127 8.874 -2.043 -2.164 1.00 3.53 O ATOM 1254 CB LYS A 127 8.840 0.395 -0.387 1.00 3.65 C ATOM 1255 CG LYS A 127 9.457 -0.213 0.874 1.00 4.30 C ATOM 1256 CD LYS A 127 10.811 0.411 1.222 1.00 4.70 C ATOM 1257 CE LYS A 127 11.563 -0.402 2.267 1.00 5.09 C ATOM 1258 NZ LYS A 127 10.877 -0.398 3.580 1.00 5.26 N ATOM 1259 HZ1 LYS A 127 10.799 0.580 3.926 1.00 0.00 H ATOM 1260 HZ2 LYS A 127 9.927 -0.807 3.474 1.00 0.00 H ATOM 1261 HZ3 LYS A 127 11.426 -0.964 4.258 1.00 0.00 H ATOM 1262 H LYS A 127 8.047 0.459 -3.070 1.00 0.00 H ATOM 1263 N GLN A 128 11.087 -1.788 -1.799 1.00 2.72 N ATOM 1264 CA GLN A 128 11.425 -3.196 -1.957 1.00 2.82 C ATOM 1265 C GLN A 128 12.035 -3.717 -0.663 1.00 2.75 C ATOM 1266 O GLN A 128 12.797 -3.009 0.008 1.00 3.24 O ATOM 1267 CB GLN A 128 12.415 -3.377 -3.113 1.00 3.04 C ATOM 1268 CG GLN A 128 11.830 -2.908 -4.432 1.00 3.37 C ATOM 1269 CD GLN A 128 12.784 -3.029 -5.601 1.00 3.57 C ATOM 1270 OE1 GLN A 128 14.004 -3.029 -5.427 1.00 4.45 O ATOM 1271 NE2 GLN A 128 12.231 -3.117 -6.806 1.00 3.99 N ATOM 1272 HE22 GLN A 128 11.196 -3.113 -6.905 1.00 0.00 H ATOM 1273 HE21 GLN A 128 12.833 -3.190 -7.651 1.00 0.00 H ATOM 1274 H GLN A 128 11.852 -1.114 -1.594 1.00 0.00 H ATOM 1275 N VAL A 129 11.700 -4.955 -0.316 1.00 2.77 N ATOM 1276 CA VAL A 129 12.305 -5.631 0.821 1.00 2.96 C ATOM 1277 C VAL A 129 12.748 -7.006 0.358 1.00 2.97 C ATOM 1278 O VAL A 129 11.996 -7.710 -0.328 1.00 3.49 O ATOM 1279 CB VAL A 129 11.365 -5.723 2.041 1.00 3.68 C ATOM 1280 CG1 VAL A 129 12.103 -6.320 3.230 1.00 4.13 C ATOM 1281 CG2 VAL A 129 10.817 -4.345 2.400 1.00 4.16 C ATOM 1282 H VAL A 129 10.982 -5.457 -0.876 1.00 0.00 H ATOM 1283 N PHE A 130 13.976 -7.366 0.728 1.00 3.18 N ATOM 1284 CA PHE A 130 14.613 -8.619 0.360 1.00 3.34 C ATOM 1285 C PHE A 130 14.997 -9.360 1.635 1.00 3.60 C ATOM 1286 O PHE A 130 15.258 -8.740 2.669 1.00 4.57 O ATOM 1287 CB PHE A 130 15.916 -8.362 -0.449 1.00 3.47 C ATOM 1288 CG PHE A 130 15.746 -7.421 -1.613 1.00 3.45 C ATOM 1289 CD1 PHE A 130 15.661 -6.049 -1.413 1.00 3.82 C ATOM 1290 CD2 PHE A 130 15.663 -7.903 -2.906 1.00 3.98 C ATOM 1291 CE1 PHE A 130 15.487 -5.187 -2.475 1.00 4.45 C ATOM 1292 CE2 PHE A 130 15.486 -7.045 -3.974 1.00 4.60 C ATOM 1293 CZ PHE A 130 15.389 -5.683 -3.755 1.00 4.86 C ATOM 1294 H PHE A 130 14.516 -6.704 1.321 1.00 0.00 H ATOM 1295 N LYS A 131 15.044 -10.687 1.559 1.00 3.76 N ATOM 1296 CA LYS A 131 15.461 -11.541 2.665 1.00 4.02 C ATOM 1297 C LYS A 131 16.848 -12.101 2.378 1.00 3.94 C ATOM 1298 O LYS A 131 17.100 -12.600 1.277 1.00 4.16 O ATOM 1299 CB LYS A 131 14.481 -12.706 2.821 1.00 4.55 C ATOM 1300 CG LYS A 131 13.183 -12.326 3.496 1.00 5.61 C ATOM 1301 CD LYS A 131 13.366 -12.256 4.995 1.00 7.09 C ATOM 1302 CE LYS A 131 12.096 -11.844 5.706 1.00 8.71 C ATOM 1303 NZ LYS A 131 12.337 -11.741 7.170 1.00 10.73 N ATOM 1304 HZ1 LYS A 131 12.648 -12.664 7.535 1.00 0.00 H ATOM 1305 HZ2 LYS A 131 13.074 -11.030 7.350 1.00 0.00 H ATOM 1306 HZ3 LYS A 131 11.457 -11.457 7.646 1.00 0.00 H ATOM 1307 H LYS A 131 14.769 -11.139 0.664 1.00 0.00 H ATOM 1308 N LYS A 132 17.741 -12.052 3.363 1.00 4.03 N ATOM 1309 CA LYS A 132 19.065 -12.635 3.184 1.00 4.29 C ATOM 1310 C LYS A 132 18.923 -14.146 3.027 1.00 4.22 C ATOM 1311 O LYS A 132 18.219 -14.798 3.805 1.00 4.89 O ATOM 1312 CB LYS A 132 19.970 -12.300 4.373 1.00 5.07 C ATOM 1313 CG LYS A 132 21.458 -12.199 3.999 1.00 5.89 C ATOM 1314 CD LYS A 132 22.306 -11.702 5.163 1.00 6.95 C ATOM 1315 CE LYS A 132 23.751 -11.475 4.757 1.00 7.82 C ATOM 1316 NZ LYS A 132 24.480 -12.743 4.474 1.00 8.13 N ATOM 1317 HZ1 LYS A 132 24.480 -13.339 5.326 1.00 0.00 H ATOM 1318 HZ2 LYS A 132 24.007 -13.247 3.697 1.00 0.00 H ATOM 1319 HZ3 LYS A 132 25.460 -12.525 4.202 1.00 0.00 H ATOM 1320 H LYS A 132 17.493 -11.596 4.264 1.00 0.00 H ATOM 1321 N VAL A 133 19.588 -14.701 2.016 1.00 3.82 N ATOM 1322 CA VAL A 133 19.513 -16.126 1.728 1.00 3.85 C ATOM 1323 C VAL A 133 20.922 -16.700 1.614 1.00 3.84 C ATOM 1324 O VAL A 133 21.916 -15.976 1.525 1.00 4.66 O ATOM 1325 CB VAL A 133 18.667 -16.438 0.472 1.00 4.34 C ATOM 1326 CG1 VAL A 133 17.186 -16.165 0.743 1.00 4.69 C ATOM 1327 CG2 VAL A 133 19.162 -15.644 -0.732 1.00 4.91 C ATOM 1328 H VAL A 133 20.181 -14.096 1.412 1.00 0.00 H ATOM 1329 N GLN A 134 20.984 -18.036 1.628 1.00 3.61 N ATOM 1330 CA GLN A 134 22.254 -18.738 1.719 1.00 3.67 C ATOM 1331 C GLN A 134 22.502 -19.766 0.628 1.00 3.87 C ATOM 1332 O GLN A 134 23.633 -20.255 0.526 1.00 4.17 O ATOM 1333 CB GLN A 134 22.409 -19.432 3.079 1.00 4.00 C ATOM 1334 CG GLN A 134 22.092 -18.570 4.286 1.00 4.35 C ATOM 1335 CD GLN A 134 22.960 -17.326 4.426 1.00 4.61 C ATOM 1336 OE1 GLN A 134 24.111 -17.279 3.984 1.00 4.64 O ATOM 1337 NE2 GLN A 134 22.411 -16.320 5.082 1.00 5.64 N ATOM 1338 HE22 GLN A 134 21.437 -16.401 5.438 1.00 0.00 H ATOM 1339 HE21 GLN A 134 22.952 -15.447 5.243 1.00 0.00 H ATOM 1340 H GLN A 134 20.103 -18.586 1.572 1.00 0.00 H ATOM 1341 N HIS A 135 21.502 -20.138 -0.163 1.00 4.37 N ATOM 1342 CA HIS A 135 21.745 -21.067 -1.254 1.00 4.98 C ATOM 1343 C HIS A 135 22.442 -20.309 -2.371 1.00 5.78 C ATOM 1344 O HIS A 135 21.937 -19.284 -2.828 1.00 7.46 O ATOM 1345 CB HIS A 135 20.435 -21.677 -1.745 1.00 5.46 C ATOM 1346 CG HIS A 135 20.629 -22.749 -2.770 1.00 6.46 C ATOM 1347 ND1 HIS A 135 21.174 -23.976 -2.464 1.00 6.87 N ATOM 1348 CD2 HIS A 135 20.364 -22.775 -4.097 1.00 7.94 C ATOM 1349 CE1 HIS A 135 21.231 -24.716 -3.556 1.00 8.38 C ATOM 1350 NE2 HIS A 135 20.744 -24.011 -4.562 1.00 9.29 N ATOM 1351 H HIS A 135 20.545 -19.764 -0.002 1.00 0.00 H ATOM 1352 N HIS A 136 23.603 -20.795 -2.803 1.00 5.65 N ATOM 1353 CA HIS A 136 24.383 -20.064 -3.788 1.00 5.84 C ATOM 1354 C HIS A 136 23.700 -20.083 -5.147 1.00 6.04 C ATOM 1355 O HIS A 136 23.274 -21.133 -5.640 1.00 7.07 O ATOM 1356 CB HIS A 136 25.786 -20.645 -3.906 1.00 6.25 C ATOM 1357 CG HIS A 136 26.653 -19.913 -4.880 1.00 6.71 C ATOM 1358 ND1 HIS A 136 27.148 -20.506 -6.020 1.00 7.38 N ATOM 1359 CD2 HIS A 136 27.110 -18.639 -4.889 1.00 7.22 C ATOM 1360 CE1 HIS A 136 27.873 -19.629 -6.691 1.00 7.80 C ATOM 1361 NE2 HIS A 136 27.873 -18.491 -6.023 1.00 7.43 N ATOM 1362 H HIS A 136 23.954 -21.702 -2.434 1.00 0.00 H ATOM 1363 N HIS A 137 23.608 -18.904 -5.742 1.00 6.22 N ATOM 1364 CA HIS A 137 23.159 -18.729 -7.109 1.00 6.95 C ATOM 1365 C HIS A 137 24.398 -18.606 -7.991 1.00 7.20 C ATOM 1366 O HIS A 137 25.262 -17.757 -7.742 1.00 7.69 O ATOM 1367 CB HIS A 137 22.312 -17.463 -7.206 1.00 7.24 C ATOM 1368 CG HIS A 137 21.008 -17.539 -6.470 1.00 7.52 C ATOM 1369 ND1 HIS A 137 20.907 -17.754 -5.111 1.00 8.17 N ATOM 1370 CD2 HIS A 137 19.740 -17.401 -6.920 1.00 8.03 C ATOM 1371 CE1 HIS A 137 19.631 -17.756 -4.760 1.00 8.24 C ATOM 1372 NE2 HIS A 137 18.903 -17.540 -5.840 1.00 8.79 N ATOM 1373 H HIS A 137 23.872 -18.057 -5.199 1.00 0.00 H ATOM 1374 N HIS A 138 24.495 -19.461 -9.007 1.00 8.06 N ATOM 1375 CA HIS A 138 25.623 -19.391 -9.922 1.00 8.69 C ATOM 1376 C HIS A 138 25.751 -17.974 -10.465 1.00 9.50 C ATOM 1377 O HIS A 138 24.752 -17.310 -10.754 1.00 9.21 O ATOM 1378 CB HIS A 138 25.427 -20.379 -11.078 1.00 9.13 C ATOM 1379 CG HIS A 138 25.273 -21.805 -10.642 1.00 9.53 C ATOM 1380 ND1 HIS A 138 26.273 -22.501 -9.996 1.00 9.86 N ATOM 1381 CD2 HIS A 138 24.238 -22.669 -10.772 1.00 10.15 C ATOM 1382 CE1 HIS A 138 25.858 -23.730 -9.743 1.00 8.95 C ATOM 1383 NE2 HIS A 138 24.627 -23.858 -10.202 1.00 10.15 N ATOM 1384 H HIS A 138 23.760 -20.183 -9.147 1.00 0.00 H ATOM 1385 N HIS A 139 26.990 -17.507 -10.596 1.00 11.21 N ATOM 1386 CA HIS A 139 27.234 -16.122 -10.984 1.00 14.02 C ATOM 1387 C HIS A 139 26.479 -15.746 -12.256 1.00 14.35 C ATOM 1388 O HIS A 139 25.767 -14.742 -12.289 1.00 16.94 O ATOM 1389 CB HIS A 139 28.728 -15.865 -11.179 1.00 16.22 C ATOM 1390 CG HIS A 139 29.054 -14.430 -11.452 1.00 16.94 C ATOM 1391 ND1 HIS A 139 29.286 -13.944 -12.720 1.00 17.59 N ATOM 1392 CD2 HIS A 139 29.166 -13.370 -10.617 1.00 16.99 C ATOM 1393 CE1 HIS A 139 29.536 -12.648 -12.654 1.00 18.06 C ATOM 1394 NE2 HIS A 139 29.469 -12.275 -11.389 1.00 17.68 N ATOM 1395 H HIS A 139 27.797 -18.139 -10.419 1.00 0.00 H TER 1396 HIS A 139 HETATM 1397 O HOH 1 10.493 -10.600 7.746 1.00 9.60 O HETATM 1398 O HOH 2 27.089 5.984 -22.888 1.00 23.30 O HETATM 1399 O HOH 3 32.196 10.288 -17.488 1.00 24.41 O HETATM 1400 O HOH 4 4.274 7.445 -12.286 1.00 9.46 O HETATM 1401 O HOH 5 34.942 8.385 -0.432 1.00 16.68 O HETATM 1402 O HOH 6 13.755 -13.590 10.114 1.00 21.12 O HETATM 1403 O HOH 7 29.623 4.281 -13.667 1.00 11.36 O HETATM 1404 O HOH 8 4.414 9.288 -3.437 1.00 12.76 O HETATM 1405 O HOH 9 15.883 6.124 -7.978 1.00 7.36 O HETATM 1406 O HOH 10 8.079 12.372 -19.151 1.00 19.91 O HETATM 1407 O HOH 11 0.937 -1.000 -1.628 1.00 9.04 O HETATM 1408 O HOH 12 4.852 1.707 1.830 1.00 9.54 O HETATM 1409 O HOH 13 21.536 3.330 -23.320 1.00 16.14 O HETATM 1410 O HOH 14 21.619 -0.874 12.477 1.00 19.33 O HETATM 1411 O HOH 15 8.573 11.863 -15.025 1.00 13.79 O HETATM 1412 O HOH 16 10.089 -3.222 9.347 1.00 11.14 O HETATM 1413 O HOH 17 15.473 4.139 6.644 1.00 12.98 O HETATM 1414 O HOH 18 24.174 -23.171 -7.108 1.00 13.42 O HETATM 1415 O HOH 19 15.495 -15.606 -7.217 1.00 11.49 O HETATM 1416 O HOH 20 31.816 14.539 -10.992 1.00 14.05 O HETATM 1417 O HOH 21 28.448 1.651 -18.702 1.00 17.76 O HETATM 1418 O HOH 22 6.579 9.090 -20.758 1.00 18.64 O HETATM 1419 O HOH 23 26.938 -23.129 -6.505 1.00 10.94 O HETATM 1420 O HOH 24 35.283 -3.401 -9.284 1.00 13.47 O HETATM 1421 O HOH 25 31.792 -5.213 8.136 1.00 18.32 O HETATM 1422 O HOH 26 14.803 1.407 -21.419 1.00 9.78 O HETATM 1423 O HOH 27 26.489 -6.146 10.841 1.00 15.73 O HETATM 1424 O HOH 28 16.342 2.164 -25.365 1.00 17.16 O HETATM 1425 O HOH 29 25.780 13.518 -7.275 1.00 7.24 O HETATM 1426 O HOH 30 21.008 3.369 -8.731 1.00 4.26 O HETATM 1427 O HOH 31 25.660 0.614 -16.492 1.00 12.27 O HETATM 1428 O HOH 32 30.172 3.553 -10.936 1.00 9.25 O HETATM 1429 O HOH 33 29.214 12.076 0.694 1.00 9.43 O HETATM 1430 O HOH 34 26.449 -8.703 5.639 1.00 9.48 O HETATM 1431 O HOH 35 27.158 -13.001 4.247 1.00 10.43 O HETATM 1432 O HOH 36 29.770 -11.023 -8.584 1.00 11.38 O HETATM 1433 O HOH 37 5.553 -3.597 -11.857 1.00 13.87 O HETATM 1434 O HOH 38 13.550 -13.409 -6.606 1.00 7.28 O HETATM 1435 O HOH 39 24.818 11.085 -1.427 1.00 8.77 O HETATM 1436 O HOH 40 22.297 -2.501 -8.901 1.00 4.10 O HETATM 1437 O HOH 41 17.402 -7.557 -21.342 1.00 16.15 O HETATM 1438 O HOH 42 -0.982 4.904 -9.028 1.00 10.29 O HETATM 1439 O HOH 43 28.094 5.762 8.990 1.00 11.97 O HETATM 1440 O HOH 44 18.114 10.623 -2.349 1.00 8.56 O HETATM 1441 O HOH 45 20.878 -2.950 -17.704 1.00 10.63 O HETATM 1442 O HOH 46 12.446 17.486 -20.418 1.00 11.72 O HETATM 1443 O HOH 47 8.903 3.393 1.885 1.00 10.23 O HETATM 1444 O HOH 48 7.159 11.321 -17.250 1.00 18.71 O HETATM 1445 O HOH 49 20.502 -24.729 -7.178 1.00 20.40 O HETATM 1446 O HOH 50 4.463 5.065 -20.754 1.00 17.86 O HETATM 1447 O HOH 51 11.391 15.052 -17.174 1.00 14.41 O HETATM 1448 O HOH 52 16.014 -2.188 -7.065 1.00 5.26 O HETATM 1449 O HOH 53 28.234 -8.691 -6.063 1.00 9.17 O HETATM 1450 O HOH 54 2.802 0.873 -9.332 1.00 6.53 O HETATM 1451 O HOH 55 5.236 -3.291 -7.675 1.00 5.76 O HETATM 1452 O HOH 56 35.905 1.742 -5.969 1.00 7.43 O HETATM 1453 O HOH 57 5.489 9.307 -16.689 1.00 12.36 O HETATM 1454 O HOH 58 20.869 -0.302 8.275 1.00 8.11 O HETATM 1455 O HOH 59 6.708 15.676 -12.034 1.00 12.94 O HETATM 1456 O HOH 60 6.316 -2.565 -14.256 1.00 12.57 O HETATM 1457 O HOH 61 17.262 -15.113 9.148 1.00 11.07 O HETATM 1458 O HOH 62 11.543 -13.873 -4.830 1.00 10.49 O HETATM 1459 O HOH 63 31.061 13.133 -0.677 1.00 11.20 O HETATM 1460 O HOH 64 26.110 -15.736 -5.918 1.00 9.70 O HETATM 1461 O HOH 65 18.785 10.702 0.350 1.00 10.40 O HETATM 1462 O HOH 66 1.970 0.068 -18.154 1.00 14.30 O HETATM 1463 O HOH 67 28.013 10.976 -23.041 1.00 12.94 O HETATM 1464 O HOH 68 9.568 18.072 -11.711 1.00 15.44 O HETATM 1465 O HOH 69 31.306 -4.722 -11.515 1.00 16.17 O HETATM 1466 O HOH 70 17.450 -0.908 11.107 1.00 15.23 O HETATM 1467 O HOH 71 19.517 -16.327 5.688 1.00 6.41 O HETATM 1468 O HOH 72 37.978 -3.066 -3.360 1.00 5.33 O HETATM 1469 O HOH 73 11.729 6.184 4.016 1.00 8.43 O HETATM 1470 O HOH 74 0.341 3.604 -6.978 1.00 6.89 O HETATM 1471 O HOH 75 8.412 -6.503 -10.586 1.00 9.23 O HETATM 1472 O HOH 76 26.048 0.539 -21.198 1.00 14.63 O HETATM 1473 O HOH 77 17.819 12.586 -12.142 1.00 5.00 O HETATM 1474 O HOH 78 34.199 8.932 -9.662 1.00 11.72 O HETATM 1475 O HOH 79 18.306 -0.294 -23.131 1.00 14.77 O HETATM 1476 O HOH 80 5.810 -12.758 -11.379 1.00 16.57 O HETATM 1477 O HOH 81 23.592 -0.014 -17.128 1.00 8.74 O HETATM 1478 O HOH 82 34.241 1.018 -8.062 1.00 7.80 O HETATM 1479 O HOH 83 29.275 7.471 -4.695 1.00 7.14 O HETATM 1480 O HOH 84 36.420 -6.414 2.542 1.00 7.32 O HETATM 1481 O HOH 85 30.249 17.239 -8.052 1.00 14.22 O HETATM 1482 O HOH 86 4.562 12.378 -7.431 1.00 13.05 O HETATM 1483 O HOH 87 24.018 -14.281 6.751 1.00 11.17 O HETATM 1484 O HOH 88 18.660 8.735 -22.830 1.00 14.89 O HETATM 1485 O HOH 89 25.759 1.665 -12.483 1.00 5.61 O HETATM 1486 O HOH 90 5.215 -10.927 -1.971 1.00 4.50 O HETATM 1487 O HOH 91 30.634 1.041 -12.343 1.00 9.39 O HETATM 1488 O HOH 92 30.334 -5.735 10.181 1.00 17.76 O HETATM 1489 O HOH 93 21.134 -9.367 7.614 1.00 13.94 O HETATM 1490 O HOH 94 37.396 1.227 0.161 1.00 7.80 O HETATM 1491 O HOH 95 15.106 19.346 -18.473 1.00 13.06 O HETATM 1492 O HOH 96 14.398 4.423 -23.125 1.00 8.83 O HETATM 1493 O HOH 97 11.200 12.152 -5.252 1.00 5.84 O HETATM 1494 O HOH 98 30.419 -7.407 -10.245 1.00 13.81 O HETATM 1495 O HOH 99 14.644 -10.452 10.750 1.00 21.79 O HETATM 1496 O HOH 100 21.328 5.999 -23.844 1.00 14.38 O HETATM 1497 O HOH 101 3.145 -7.727 -16.883 1.00 10.64 O HETATM 1498 O HOH 102 12.978 1.442 9.436 1.00 12.55 O HETATM 1499 O HOH 103 28.476 16.869 -11.682 1.00 9.87 O HETATM 1500 O HOH 104 35.337 -5.874 -4.032 1.00 6.49 O HETATM 1501 O HOH 105 28.990 10.090 4.933 1.00 10.96 O HETATM 1502 O HOH 106 18.187 15.880 -6.308 1.00 12.14 O HETATM 1503 O HOH 107 25.851 4.477 12.591 1.00 22.81 O HETATM 1504 O HOH 108 32.858 -1.730 4.817 1.00 14.92 O HETATM 1505 O HOH 109 3.574 -8.281 -25.421 1.00 12.62 O HETATM 1506 O HOH 110 19.403 11.917 -16.296 1.00 5.20 O HETATM 1507 O HOH 111 5.463 12.243 -10.572 1.00 12.90 O HETATM 1508 O HOH 112 27.062 -1.001 -14.902 1.00 10.53 O HETATM 1509 O HOH 113 10.125 2.214 4.368 1.00 10.73 O HETATM 1510 O HOH 114 3.276 8.208 -18.424 1.00 24.11 O HETATM 1511 O HOH 115 9.174 -10.884 -17.437 1.00 7.72 O HETATM 1512 O HOH 116 3.229 -2.059 -19.438 1.00 11.50 O HETATM 1513 O HOH 117 17.030 4.689 -11.061 1.00 5.78 O HETATM 1514 O HOH 118 33.050 -4.310 -3.526 1.00 5.57 O HETATM 1515 O HOH 119 32.353 13.481 -5.236 1.00 16.98 O HETATM 1516 O HOH 120 6.744 -6.770 -23.363 1.00 9.88 O HETATM 1517 O HOH 121 11.127 9.474 1.865 1.00 8.82 O HETATM 1518 O HOH 122 8.086 -0.854 3.842 1.00 8.49 O HETATM 1519 O HOH 123 12.449 2.640 -22.268 1.00 9.25 O HETATM 1520 O HOH 124 8.259 7.217 1.952 1.00 8.91 O HETATM 1521 O HOH 125 22.310 -18.363 -11.765 1.00 14.63 O HETATM 1522 O HOH 126 30.828 -9.814 -11.848 1.00 22.22 O HETATM 1523 O HOH 127 10.578 -0.411 7.177 1.00 13.12 O HETATM 1524 O HOH 128 27.331 -8.213 -15.884 1.00 24.80 O HETATM 1525 O HOH 129 7.590 -3.435 -0.026 1.00 5.90 O HETATM 1526 O HOH 130 20.839 -14.913 -9.616 1.00 16.20 O HETATM 1527 O HOH 131 24.215 -2.418 -15.579 1.00 8.58 O HETATM 1528 O HOH 132 1.069 2.642 -14.859 1.00 16.46 O HETATM 1529 O HOH 133 5.864 2.503 -2.234 1.00 7.55 O HETATM 1530 O HOH 134 5.760 7.089 -18.786 1.00 12.94 O HETATM 1531 O HOH 135 21.214 -7.245 10.800 1.00 15.30 O HETATM 1532 O HOH 136 2.506 7.778 -9.587 1.00 14.11 O HETATM 1533 O HOH 137 15.095 11.267 -3.743 1.00 6.76 O HETATM 1534 O HOH 138 25.783 -13.440 -9.315 1.00 12.22 O HETATM 1535 O HOH 139 23.506 -15.050 -9.491 1.00 13.92 O HETATM 1536 O HOH 140 27.261 3.068 -14.363 1.00 7.07 O HETATM 1537 O HOH 141 9.684 10.246 -4.008 1.00 6.59 O HETATM 1538 O HOH 142 24.439 -16.663 -4.130 1.00 8.10 O HETATM 1539 O HOH 143 15.982 17.207 -7.298 1.00 13.70 O HETATM 1540 O HOH 144 13.388 -7.619 10.383 1.00 10.57 O HETATM 1541 O HOH 145 29.241 14.467 -4.532 1.00 12.53 O HETATM 1542 O HOH 146 36.856 6.123 -0.063 1.00 17.11 O HETATM 1543 O HOH 147 13.355 5.498 -20.882 1.00 10.67 O HETATM 1544 O HOH 148 16.461 8.612 4.739 1.00 16.88 O HETATM 1545 O HOH 149 32.326 8.199 -13.367 1.00 14.70 O HETATM 1546 O HOH 150 10.718 -5.860 9.878 1.00 10.31 O HETATM 1547 O HOH 151 26.236 -15.606 5.030 1.00 10.31 O HETATM 1548 O HOH 152 21.322 5.417 11.004 1.00 28.89 O HETATM 1549 O HOH 153 17.699 13.955 -8.328 1.00 8.02 O HETATM 1550 O HOH 154 4.427 6.935 -4.719 1.00 7.71 O HETATM 1551 O HOH 155 15.366 -12.951 -10.019 1.00 11.19 O HETATM 1552 O HOH 156 18.129 15.587 -10.453 1.00 8.33 O HETATM 1553 O HOH 157 25.058 -23.105 -1.792 1.00 7.26 O HETATM 1554 O HOH 158 29.915 8.458 2.952 1.00 13.00 O HETATM 1555 O HOH 159 20.432 -12.050 -16.152 1.00 9.35 O HETATM 1556 O HOH 160 27.761 2.147 -10.464 1.00 7.16 O HETATM 1557 O HOH 161 3.431 -2.847 -16.885 1.00 14.81 O HETATM 1558 O HOH 162 15.982 -17.939 -6.213 1.00 11.27 O HETATM 1559 O HOH 163 38.402 1.208 -3.503 1.00 8.77 O HETATM 1560 O HOH 164 5.902 3.270 -24.149 1.00 9.11 O HETATM 1561 O HOH 165 32.249 7.202 3.625 1.00 14.97 O HETATM 1562 O HOH 166 27.523 8.391 8.751 1.00 10.27 O HETATM 1563 O HOH 167 32.825 0.810 -11.943 1.00 10.65 O HETATM 1564 O HOH 168 17.252 11.317 -14.421 1.00 4.92 O HETATM 1565 O HOH 169 16.408 -10.818 11.701 1.00 14.19 O HETATM 1566 O HOH 170 29.419 13.630 -16.908 1.00 10.33 O HETATM 1567 O HOH 171 32.404 6.221 -7.236 1.00 7.58 O HETATM 1568 O HOH 172 17.589 12.339 -4.365 1.00 8.85 O HETATM 1569 O HOH 173 21.854 -20.706 -9.623 1.00 12.74 O HETATM 1570 O HOH 174 10.580 -15.995 -6.123 1.00 12.15 O HETATM 1571 O HOH 175 19.215 -4.641 12.101 1.00 23.70 O HETATM 1572 O HOH 176 21.189 -2.290 10.286 1.00 11.05 O HETATM 1573 O HOH 177 26.451 17.125 -4.710 1.00 11.55 O HETATM 1574 O HOH 178 8.775 -8.227 -7.580 1.00 12.06 O HETATM 1575 O HOH 179 24.822 -5.560 8.799 1.00 12.25 O HETATM 1576 O HOH 180 23.244 12.113 0.609 1.00 14.43 O HETATM 1577 O HOH 181 1.961 -3.361 -10.889 1.00 12.61 O HETATM 1578 O HOH 182 3.545 -1.778 -9.241 1.00 6.89 O HETATM 1579 O HOH 183 2.779 6.539 -7.034 1.00 8.89 O HETATM 1580 O HOH 184 12.863 -2.125 -24.132 1.00 21.32 O HETATM 1581 O HOH 185 15.458 -1.081 -22.643 1.00 14.67 O HETATM 1582 O HOH 186 19.070 1.512 9.531 1.00 12.46 O HETATM 1583 O HOH 187 28.690 -1.050 -13.001 1.00 13.41 O HETATM 1584 O HOH 188 29.220 -6.614 -14.656 1.00 28.52 O HETATM 1585 O HOH 189 16.266 0.135 -21.206 1.00 12.95 O HETATM 1586 O HOH 190 11.544 -13.318 -11.637 1.00 18.37 O HETATM 1587 O HOH 191 32.464 11.970 -11.630 1.00 22.63 O HETATM 1588 O HOH 192 20.690 -12.899 -13.312 1.00 12.27 O HETATM 1589 O HOH 193 25.106 13.037 2.222 1.00 22.09 O HETATM 1590 O HOH 194 31.664 12.023 -15.627 1.00 18.10 O HETATM 1591 O HOH 195 17.529 -6.777 -24.157 1.00 18.41 O HETATM 1592 O HOH 196 11.662 0.188 11.177 1.00 13.90 O HETATM 1593 O HOH 197 23.981 -7.862 7.458 1.00 12.21 O HETATM 1594 O HOH 198 9.656 12.494 -20.672 1.00 38.50 O HETATM 1595 O HOH 199 14.364 -3.312 -9.086 1.00 7.88 O HETATM 1596 O HOH 200 15.077 18.774 -16.244 1.00 22.28 O HETATM 1597 O HOH 201 19.874 -6.350 -22.063 1.00 22.24 O HETATM 1598 O HOH 202 31.178 5.314 -12.827 1.00 12.32 O HETATM 1599 O HOH 203 35.025 -4.566 4.448 1.00 6.09 O HETATM 1600 O HOH 204 14.648 19.468 -5.536 1.00 26.99 O HETATM 1601 O HOH 205 13.292 -12.328 -11.994 1.00 6.06 O HETATM 1602 O HOH 206 14.243 6.731 3.113 1.00 12.12 O HETATM 1603 O HOH 207 24.099 20.038 -7.952 1.00 30.99 O HETATM 1604 O HOH 208 3.812 12.935 -4.656 1.00 12.46 O HETATM 1605 O HOH 209 17.998 18.247 -10.233 1.00 13.64 O HETATM 1606 O HOH 210 2.508 2.696 0.609 1.00 10.31 O HETATM 1607 O HOH 211 36.687 -0.398 -8.386 1.00 10.09 O HETATM 1608 O HOH 212 25.697 -0.322 -18.857 1.00 20.93 O HETATM 1609 O HOH 213 22.945 16.732 -4.098 1.00 18.24 O HETATM 1610 O HOH 214 5.404 -9.028 -23.034 1.00 11.35 O HETATM 1611 O HOH 215 27.697 -7.442 9.643 1.00 25.81 O HETATM 1612 O HOH 216 26.801 18.816 -10.802 1.00 17.38 O HETATM 1613 O HOH 217 25.810 10.676 -23.144 1.00 26.74 O HETATM 1614 O HOH 218 23.987 6.837 -24.546 1.00 26.50 O HETATM 1615 O HOH 219 14.687 -7.142 12.927 1.00 14.02 O HETATM 1616 O HOH 220 4.581 9.557 -13.929 1.00 12.61 O HETATM 1617 O HOH 221 21.284 -3.186 -20.173 1.00 31.37 O HETATM 1618 O HOH 222 19.665 -11.399 11.091 1.00 22.85 O HETATM 1619 O HOH 223 32.142 4.821 -9.815 1.00 12.21 O HETATM 1620 O HOH 224 19.530 -2.658 -22.196 1.00 19.84 O HETATM 1621 O HOH 225 18.359 -21.034 -6.495 1.00 13.98 O HETATM 1622 O HOH 226 29.023 16.910 -5.614 1.00 11.49 O HETATM 1623 O HOH 227 18.445 -13.597 -11.328 1.00 24.99 O HETATM 1624 O HOH 228 6.035 -5.096 -9.728 1.00 10.38 O HETATM 1625 O HOH 229 28.786 5.119 -21.284 1.00 33.59 O HETATM 1626 O HOH 230 11.762 21.819 -10.624 1.00 32.53 O HETATM 1627 O HOH 231 38.510 -0.153 -6.092 1.00 9.28 O HETATM 1628 O HOH 232 14.802 9.628 3.011 1.00 17.19 O HETATM 1629 O HOH 233 2.999 5.414 -2.957 1.00 13.01 O HETATM 1630 O HOH 234 14.687 -6.292 -25.193 1.00 23.52 O HETATM 1631 O HOH 235 18.834 2.724 -10.388 1.00 6.28 O HETATM 1632 O HOH 236 24.832 14.791 -4.893 1.00 11.02 O HETATM 1633 O HOH 237 -0.457 3.987 -16.598 1.00 26.56 O HETATM 1634 O HOH 238 16.405 11.672 1.365 1.00 20.03 O HETATM 1635 O HOH 239 3.510 -3.592 -24.220 1.00 13.81 O HETATM 1636 O HOH 240 36.173 1.186 4.959 1.00 27.56 O HETATM 1637 O HOH 241 25.592 17.300 -11.373 1.00 16.38 O HETATM 1638 O HOH 242 6.611 3.265 0.347 1.00 8.50 O HETATM 1639 O HOH 243 1.717 -5.295 -17.004 1.00 18.75 O HETATM 1640 O HOH 244 30.647 -8.993 -7.340 1.00 15.99 O HETATM 1641 O HOH 245 5.770 14.324 -3.534 1.00 10.81 O HETATM 1642 O HOH 246 20.377 16.154 -2.614 1.00 26.71 O HETATM 1643 O HOH 247 21.877 -27.687 -5.372 1.00 37.92 O HETATM 1644 O HOH 248 3.099 2.795 -2.169 1.00 8.19 O HETATM 1645 O HOH 249 0.423 0.735 -10.694 1.00 12.10 O HETATM 1646 O HOH 250 15.202 -4.342 13.229 1.00 15.69 O HETATM 1647 O HOH 251 13.039 3.536 7.734 1.00 11.08 O HETATM 1648 O HOH 252 39.712 -2.581 -5.519 1.00 5.90 O HETATM 1649 O HOH 253 4.621 14.911 -10.532 1.00 16.02 O HETATM 1650 O HOH 254 7.868 2.224 3.675 1.00 15.33 O HETATM 1651 O HOH 255 11.477 20.654 -8.032 1.00 23.55 O HETATM 1652 O HOH 256 14.358 13.426 -2.303 1.00 13.01 O HETATM 1653 O HOH 257 8.826 10.807 -1.524 1.00 10.44 O HETATM 1654 O HOH 258 17.435 -2.836 13.109 1.00 21.21 O HETATM 1655 O HOH 259 -2.933 2.595 -12.528 1.00 23.01 O HETATM 1656 O HOH 260 38.231 6.931 -3.339 1.00 13.48 O HETATM 1657 O HOH 261 20.708 -12.148 8.603 1.00 18.16 O HETATM 1658 O HOH 262 36.870 -6.174 -6.308 1.00 7.98 O HETATM 1659 O HOH 263 25.131 13.718 -2.347 1.00 11.83 O HETATM 1660 O HOH 264 28.061 20.841 -9.326 1.00 16.05 O HETATM 1661 O HOH 265 33.601 -6.232 -12.546 1.00 19.71 O HETATM 1662 O HOH 266 11.320 -5.616 12.597 1.00 12.67 O HETATM 1663 O HOH 267 19.712 -14.703 7.959 1.00 11.59 O HETATM 1664 O HOH 268 12.603 20.169 -19.670 1.00 16.25 O HETATM 1665 O HOH 269 27.852 0.941 -16.209 1.00 13.52 O HETATM 1666 O HOH 270 30.311 -3.258 -13.549 1.00 20.44 O HETATM 1667 O HOH 271 1.357 -3.191 -21.139 1.00 19.32 O HETATM 1668 O HOH 272 8.570 9.759 0.968 1.00 9.67 O HETATM 1669 O HOH 273 12.643 -15.958 -7.650 1.00 13.02 O HETATM 1670 O HOH 274 16.153 -20.124 -8.025 1.00 17.38 O HETATM 1671 O HOH 275 17.952 14.967 -3.791 1.00 13.18 O HETATM 1672 O HOH 276 5.482 -10.310 -20.645 1.00 19.16 O HETATM 1673 O HOH 277 13.551 22.188 -6.991 1.00 37.01 O HETATM 1674 O HOH 278 39.107 7.161 -1.273 1.00 24.12 O HETATM 1675 O HOH 279 37.661 5.972 -5.632 1.00 16.57 O HETATM 1676 O HOH 280 -3.002 3.085 -9.823 1.00 9.53 O HETATM 1677 O HOH 281 11.720 13.769 -2.913 1.00 9.61 O HETATM 1678 O HOH 282 11.219 4.224 5.794 1.00 11.32 O HETATM 1679 O HOH 283 38.876 -4.540 -7.245 1.00 9.58 O HETATM 1680 O HOH 284 6.178 11.626 -13.017 1.00 12.18 O HETATM 1681 O HOH 285 29.284 2.387 -16.468 1.00 23.49 O HETATM 1682 O HOH 286 4.954 -5.819 -25.098 1.00 11.60 O HETATM 1683 O HOH 287 9.512 1.201 9.817 1.00 18.67 O HETATM 1684 O HOH 288 20.230 -17.528 -10.541 1.00 18.00 O HETATM 1685 O HOH 289 6.033 5.804 1.191 1.00 13.15 O HETATM 1686 O HOH 290 5.167 11.502 -21.599 1.00 26.46 O HETATM 1687 O HOH 291 15.270 6.584 5.678 1.00 12.48 O HETATM 1688 O HOH 292 32.962 8.063 -16.002 1.00 17.59 O HETATM 1689 O HOH 293 7.267 4.214 4.497 1.00 22.26 O HETATM 1690 O HOH 294 35.108 6.913 -7.639 1.00 12.83 O HETATM 1691 O HOH 295 6.046 1.287 4.311 1.00 25.61 O HETATM 1692 O HOH 296 28.921 3.771 -23.501 1.00 23.03 O HETATM 1693 O HOH 297 15.002 -0.468 -26.203 1.00 25.74 O HETATM 1694 O HOH 298 24.243 14.712 1.131 1.00 26.52 O HETATM 1695 O HOH 299 1.088 -3.950 -23.469 1.00 21.81 O HETATM 1696 O HOH 300 3.079 -1.710 -26.300 1.00 20.93 O HETATM 1697 O HOH 301 20.706 12.733 0.682 1.00 16.38 O HETATM 1698 O HOH 302 6.100 7.216 -22.217 1.00 24.23 O HETATM 1699 O HOH 303 3.068 10.898 -9.970 1.00 17.70 O HETATM 1700 O HOH 304 33.559 6.655 -11.620 1.00 14.82 O HETATM 1701 O HOH 305 1.686 -9.598 -18.076 1.00 15.30 O HETATM 1702 O HOH 306 25.442 -6.668 13.438 1.00 18.89 O HETATM 1703 O HOH 307 34.519 -8.578 -4.437 1.00 7.28 O HETATM 1704 O HOH 308 36.296 -1.301 6.848 1.00 39.04 O HETATM 1705 O HOH 309 22.781 -4.605 10.397 1.00 14.84 O HETATM 1706 O HOH 310 36.514 7.852 -5.168 1.00 18.11 O HETATM 1707 O HOH 311 27.066 -8.612 12.181 1.00 21.79 O HETATM 1708 O HOH 312 16.004 13.838 -0.313 1.00 20.07 O HETATM 1709 O HOH 313 35.086 -7.138 -8.283 1.00 12.53 O HETATM 1710 O HOH 314 -0.394 -1.007 -12.415 1.00 27.15 O HETATM 1711 O HOH 315 28.473 -4.025 -15.747 1.00 32.76 O HETATM 1712 O HOH 316 34.240 13.331 -16.685 1.00 26.72 O HETATM 1713 O HOH 317 0.130 -5.113 -19.444 1.00 22.71 O HETATM 1714 O HOH 318 11.312 23.020 -8.865 1.00 39.15 O HETATM 1715 O HOH 319 -4.106 4.513 -14.628 1.00 37.05 O HETATM 1716 O HOH 320 0.013 -3.026 -8.942 1.00 9.58 O HETATM 1717 O HOH 321 8.855 5.068 6.843 1.00 12.64 O HETATM 1718 O HOH 322 6.538 -5.406 -27.359 1.00 11.12 O HETATM 1719 O HOH 323 25.274 20.189 -12.902 1.00 28.39 O HETATM 1720 O HOH 324 14.011 8.829 6.936 1.00 19.99 O HETATM 1721 O HOH 325 8.858 -5.732 13.529 1.00 11.55 O HETATM 1722 O HOH 326 4.931 5.483 4.032 1.00 37.00 O HETATM 1723 O HOH 327 33.342 -9.064 -6.837 1.00 9.69 O HETATM 1724 O HOH 328 16.850 -3.230 15.859 1.00 28.15 O HETATM 1725 O HOH 329 37.181 13.096 -5.811 1.00 50.40 O HETATM 1726 O HOH 330 37.792 -6.570 -10.988 1.00 26.31 O HETATM 1727 O HOH 331 34.599 -10.439 -5.514 1.00 9.61 O HETATM 1728 O HOH 332 40.557 -6.252 -8.570 1.00 18.61 O HETATM 1729 O HOH 333 -3.127 -1.881 -12.378 1.00 37.32 O HETATM 1730 O HOH 334 42.804 -6.642 -7.287 1.00 12.83 O HETATM 1731 O HOH 335 39.524 -8.261 -9.588 1.00 17.28 O HETATM 1732 O HOH 336 40.646 -9.682 -11.558 1.00 29.69 O HETATM 1733 C1 RTL A 337 15.789 -4.530 -14.132 1.00 -0.10 C HETATM 1734 C2 RTL A 337 15.230 -5.502 -15.154 1.00 -0.10 C HETATM 1735 C3 RTL A 337 14.942 -4.803 -16.456 1.00 -0.04 C HETATM 1736 C4 RTL A 337 14.059 -3.556 -16.531 1.00 0.04 C HETATM 1737 C5 RTL A 337 14.254 -2.811 -15.201 1.00 0.02 C HETATM 1738 C6 RTL A 337 15.006 -3.190 -14.162 1.00 -0.06 C HETATM 1739 C7 RTL A 337 15.186 -2.172 -13.011 1.00 -0.07 C HETATM 1740 C8 RTL A 337 16.262 -2.132 -12.198 1.00 -0.06 C HETATM 1741 C9 RTL A 337 16.381 -1.097 -11.090 1.00 -0.05 C HETATM 1742 C10 RTL A 337 17.498 -1.185 -10.357 1.00 -0.07 C HETATM 1743 C11 RTL A 337 17.805 -0.312 -9.157 1.00 -0.08 C HETATM 1744 C12 RTL A 337 18.953 -0.525 -8.499 1.00 -0.08 C HETATM 1745 C13 RTL A 337 19.275 0.170 -7.199 1.00 -0.06 C HETATM 1746 C14 RTL A 337 20.237 -0.427 -6.500 1.00 -0.05 C HETATM 1747 C15 RTL A 337 20.629 -0.113 -5.086 1.00 0.07 C HETATM 1748 O1 RTL A 337 20.254 -1.339 -4.463 1.00 -0.38 O HETATM 1749 H15 RTL A 337 20.447 -1.293 -3.534 1.00 0.21 H HETATM 1750 H13 RTL A 337 20.065 0.742 -4.684 1.00 0.07 H HETATM 1751 H14 RTL A 337 21.707 0.082 -4.992 1.00 0.07 H HETATM 1752 H12 RTL A 337 20.792 -1.218 -7.002 1.00 0.06 H HETATM 1753 C20 RTL A 337 18.453 1.336 -6.727 1.00 -0.04 C HETATM 1754 H28 RTL A 337 17.736 1.620 -7.511 1.00 0.04 H HETATM 1755 H29 RTL A 337 19.115 2.187 -6.510 1.00 0.04 H HETATM 1756 H30 RTL A 337 17.907 1.054 -5.815 1.00 0.04 H HETATM 1757 H11 RTL A 337 19.677 -1.223 -8.916 1.00 0.05 H HETATM 1758 H10 RTL A 337 17.113 0.466 -8.838 1.00 0.05 H HETATM 1759 H9 RTL A 337 18.235 -1.934 -10.642 1.00 0.05 H HETATM 1760 C19 RTL A 337 15.332 -0.009 -10.895 1.00 -0.03 C HETATM 1761 H25 RTL A 337 14.514 -0.155 -11.616 1.00 0.04 H HETATM 1762 H26 RTL A 337 15.792 0.977 -11.056 1.00 0.04 H HETATM 1763 H27 RTL A 337 14.932 -0.064 -9.872 1.00 0.04 H HETATM 1764 H8 RTL A 337 17.063 -2.857 -12.338 1.00 0.06 H HETATM 1765 H7 RTL A 337 14.395 -1.442 -12.847 1.00 0.06 H HETATM 1766 C18 RTL A 337 13.454 -1.508 -15.180 1.00 0.03 C HETATM 1767 H22 RTL A 337 13.612 -0.997 -14.219 1.00 0.07 H HETATM 1768 H23 RTL A 337 12.384 -1.732 -15.305 1.00 0.07 H HETATM 1769 H24 RTL A 337 13.791 -0.858 -16.001 1.00 0.07 H HETATM 1770 H5 RTL A 337 13.004 -3.843 -16.656 1.00 0.07 H HETATM 1771 H6 RTL A 337 14.369 -2.920 -17.373 1.00 0.07 H HETATM 1772 H3 RTL A 337 14.472 -5.552 -17.110 1.00 0.03 H HETATM 1773 H4 RTL A 337 15.918 -4.514 -16.872 1.00 0.03 H HETATM 1774 H1 RTL A 337 14.298 -5.938 -14.765 1.00 0.01 H HETATM 1775 H2 RTL A 337 15.964 -6.303 -15.329 1.00 0.01 H HETATM 1776 C16 RTL A 337 17.254 -4.304 -14.528 1.00 -0.12 C HETATM 1777 H16 RTL A 337 17.721 -3.603 -13.821 1.00 0.00 H HETATM 1778 H17 RTL A 337 17.299 -3.885 -15.544 1.00 0.00 H HETATM 1779 H18 RTL A 337 17.793 -5.263 -14.503 1.00 0.00 H HETATM 1780 C17 RTL A 337 15.676 -5.233 -12.792 1.00 -0.12 C HETATM 1781 H19 RTL A 337 14.614 -5.377 -12.542 1.00 0.00 H HETATM 1782 H20 RTL A 337 16.156 -4.620 -12.015 1.00 0.00 H HETATM 1783 H21 RTL A 337 16.176 -6.211 -12.848 1.00 0.00 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1733 1734 1738 1776 1780 CONECT 1734 1733 1735 1774 1775 CONECT 1735 1734 1736 1772 1773 CONECT 1736 1735 1737 1770 1771 CONECT 1737 1736 1738 1766 CONECT 1738 1733 1737 1739 CONECT 1739 1738 1740 1765 CONECT 1740 1739 1741 1764 CONECT 1741 1740 1742 1760 CONECT 1742 1741 1743 1759 CONECT 1743 1742 1744 1758 CONECT 1744 1743 1745 1757 CONECT 1745 1744 1746 1753 CONECT 1746 1745 1747 1752 CONECT 1747 1746 1748 1750 1751 CONECT 1748 1747 1749 CONECT 1749 1748 CONECT 1750 1747 CONECT 1751 1747 CONECT 1752 1746 CONECT 1753 1745 1754 1755 1756 CONECT 1754 1753 CONECT 1755 1753 CONECT 1756 1753 CONECT 1757 1744 CONECT 1758 1743 CONECT 1759 1742 CONECT 1760 1741 1761 1762 1763 CONECT 1761 1760 CONECT 1762 1760 CONECT 1763 1760 CONECT 1764 1740 CONECT 1765 1739 CONECT 1766 1737 1767 1768 1769 CONECT 1767 1766 CONECT 1768 1766 CONECT 1769 1766 CONECT 1770 1736 CONECT 1771 1736 CONECT 1772 1735 CONECT 1773 1735 CONECT 1774 1734 CONECT 1775 1734 CONECT 1776 1733 1777 1778 1779 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1776 CONECT 1780 1733 1781 1782 1783 CONECT 1781 1780 CONECT 1782 1780 CONECT 1783 1780 MASTER 0 0 0 0 0 0 0 0 1782 1 54 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5hbs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ha1
RCSB PDB
PDBbind
140aa, >5HA1_1|Chain... *
6e6m
RCSB PDB
PDBbind
140aa, >6E6M_1|Chains... at 100%
6e5t
RCSB PDB
PDBbind
140aa, >6E5T_1|Chain... at 100%
6e5l
RCSB PDB
PDBbind
140aa, >6E5L_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fbm
RCSB PDB
PDBbind
RTL
1gx8
RCSB PDB
PDBbind
RTL
1rbp
RCSB PDB
PDBbind
RTL
6py0
RCSB PDB
PDBbind
RTL
Entry Information
PDB ID
5hbs
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human cellular retinol binding protein 1, CRBP1
Ligand Name
RTL
EC.Number
E.C.-.-.-.-
Resolution
0.89(Å)
Affinity (Kd/Ki/IC50)
Kd=18.5nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 8528-8540
Ligand Properties
Formula
C
2
0
H
3
0
O
Molecular Weight
286.452
Exact Mass
286.230
No. of atoms
51
No. of bonds
51
Polar Surface Area
20.23
LOGP Value
5.74 (
Computed with XLOGP3
)
5.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 1
Canonical SMILES
OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
InChI String
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
Links to External Databases
RCSB PDB
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UniProtKB AC
UniProt accession number (AC):
P09455
Entrez Gene ID
NCBI Entrez Gene ID:
5947
ASD
Information of known allosteric effects of PDB entries
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