Browse entries in the PDBbind-CN Database
HEADER 6E5T_COMPLEX COMPND 6E5T_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 HVJ A 382 41 ATOM 1 N PRO A 1 26.714 35.611 83.936 1.00 65.19 N ATOM 2 CA PRO A 1 27.337 36.205 85.117 1.00 64.40 C ATOM 3 C PRO A 1 26.480 37.326 85.698 1.00 60.02 C ATOM 4 O PRO A 1 26.446 38.426 85.144 1.00 54.50 O ATOM 5 CB PRO A 1 28.653 36.750 84.567 1.00 61.18 C ATOM 6 CG PRO A 1 28.333 37.083 83.092 1.00 63.63 C ATOM 7 CD PRO A 1 26.997 36.425 82.746 1.00 53.03 C ATOM 8 HN2 PRO A 1 25.685 35.559 84.080 1.00 0.00 H ATOM 9 HN1 PRO A 1 27.092 34.652 83.794 1.00 0.00 H ATOM 10 N VAL A 2 25.789 37.036 86.793 1.00 40.43 N ATOM 11 CA VAL A 2 24.953 38.028 87.455 1.00 26.99 C ATOM 12 C VAL A 2 25.835 38.955 88.281 1.00 28.29 C ATOM 13 O VAL A 2 26.730 38.506 89.009 1.00 27.70 O ATOM 14 CB VAL A 2 23.894 37.338 88.330 1.00 33.23 C ATOM 15 CG1 VAL A 2 22.988 38.352 88.985 1.00 28.98 C ATOM 16 CG2 VAL A 2 23.073 36.367 87.496 1.00 57.55 C ATOM 17 H VAL A 2 25.846 36.076 87.189 1.00 0.00 H ATOM 18 N ASP A 3 25.581 40.253 88.168 1.00 22.27 N ATOM 19 CA ASP A 3 26.290 41.266 88.945 1.00 22.70 C ATOM 20 C ASP A 3 25.232 42.202 89.493 1.00 15.85 C ATOM 21 O ASP A 3 24.573 42.925 88.730 1.00 19.24 O ATOM 22 CB ASP A 3 27.313 42.021 88.095 1.00 23.07 C ATOM 23 CG ASP A 3 28.165 43.003 88.902 1.00 22.47 C ATOM 24 OD1 ASP A 3 27.850 43.250 90.076 1.00 22.81 O ATOM 25 OD2 ASP A 3 29.148 43.546 88.333 1.00 20.97 O ATOM 26 H ASP A 3 24.847 40.561 87.499 1.00 0.00 H ATOM 27 N PHE A 4 25.008 42.127 90.811 1.00 15.09 N ATOM 28 CA PHE A 4 24.002 42.950 91.478 1.00 14.31 C ATOM 29 C PHE A 4 24.425 44.389 91.739 1.00 14.03 C ATOM 30 O PHE A 4 23.604 45.168 92.251 1.00 16.34 O ATOM 31 CB PHE A 4 23.610 42.331 92.833 1.00 18.10 C ATOM 32 CG PHE A 4 22.872 41.029 92.719 1.00 20.11 C ATOM 33 CD1 PHE A 4 21.505 40.999 92.399 1.00 19.39 C ATOM 34 CD2 PHE A 4 23.523 39.836 92.972 1.00 20.14 C ATOM 35 CE1 PHE A 4 20.842 39.798 92.293 1.00 19.67 C ATOM 36 CE2 PHE A 4 22.858 38.625 92.873 1.00 31.67 C ATOM 37 CZ PHE A 4 21.511 38.606 92.549 1.00 18.47 C ATOM 38 H PHE A 4 25.569 41.460 91.379 1.00 0.00 H ATOM 39 N THR A 5 25.645 44.785 91.367 1.00 15.30 N ATOM 40 CA THR A 5 26.120 46.128 91.673 1.00 14.34 C ATOM 41 C THR A 5 25.190 47.194 91.108 1.00 20.23 C ATOM 42 O THR A 5 24.829 47.148 89.933 1.00 17.73 O ATOM 43 CB THR A 5 27.537 46.303 91.122 1.00 17.01 C ATOM 44 OG1 THR A 5 28.376 45.309 91.694 1.00 16.52 O ATOM 45 CG2 THR A 5 28.059 47.657 91.402 1.00 15.09 C ATOM 46 HG1 THR A 5 28.031 44.412 91.457 1.00 0.00 H ATOM 47 H THR A 5 26.264 44.126 90.852 1.00 0.00 H ATOM 48 N GLY A 6 24.849 48.172 91.935 1.00 17.53 N ATOM 49 CA GLY A 6 24.023 49.285 91.511 1.00 23.20 C ATOM 50 C GLY A 6 23.211 49.873 92.654 1.00 19.37 C ATOM 51 O GLY A 6 23.306 49.468 93.816 1.00 12.92 O ATOM 52 H GLY A 6 25.185 48.140 92.919 1.00 0.00 H ATOM 53 N TYR A 7 22.409 50.859 92.287 1.00 18.09 N ATOM 54 CA TYR A 7 21.506 51.522 93.202 1.00 16.61 C ATOM 55 C TYR A 7 20.081 51.225 92.746 1.00 13.76 C ATOM 56 O TYR A 7 19.775 51.282 91.539 1.00 13.95 O ATOM 57 CB TYR A 7 21.774 53.018 93.251 1.00 13.82 C ATOM 58 CG TYR A 7 21.325 53.689 94.508 1.00 19.64 C ATOM 59 CD1 TYR A 7 22.141 53.749 95.632 1.00 21.91 C ATOM 60 CD2 TYR A 7 20.070 54.254 94.596 1.00 27.11 C ATOM 61 CE1 TYR A 7 21.729 54.365 96.774 1.00 22.62 C ATOM 62 CE2 TYR A 7 19.654 54.880 95.746 1.00 22.82 C ATOM 63 CZ TYR A 7 20.478 54.908 96.830 1.00 23.00 C ATOM 64 OH TYR A 7 20.053 55.525 97.969 1.00 20.15 O ATOM 65 HH TYR A 7 19.229 55.083 98.295 1.00 0.00 H ATOM 66 H TYR A 7 22.429 51.172 91.295 1.00 0.00 H ATOM 67 N TRP A 8 19.231 50.902 93.707 1.00 12.80 N ATOM 68 CA TRP A 8 17.893 50.387 93.407 1.00 12.84 C ATOM 69 C TRP A 8 16.846 51.018 94.317 1.00 13.77 C ATOM 70 O TRP A 8 17.056 51.133 95.527 1.00 13.59 O ATOM 71 CB TRP A 8 17.859 48.882 93.595 1.00 13.89 C ATOM 72 CG TRP A 8 19.022 48.074 92.953 1.00 17.58 C ATOM 73 CD1 TRP A 8 20.293 47.873 93.449 1.00 18.51 C ATOM 74 CD2 TRP A 8 18.959 47.334 91.719 1.00 16.86 C ATOM 75 NE1 TRP A 8 21.015 47.072 92.577 1.00 15.69 N ATOM 76 CE2 TRP A 8 20.201 46.712 91.531 1.00 17.85 C ATOM 77 CE3 TRP A 8 17.957 47.130 90.760 1.00 13.74 C ATOM 78 CZ2 TRP A 8 20.470 45.923 90.422 1.00 18.83 C ATOM 79 CZ3 TRP A 8 18.232 46.339 89.665 1.00 14.36 C ATOM 80 CH2 TRP A 8 19.465 45.745 89.510 1.00 14.46 C ATOM 81 HE1 TRP A 8 22.009 46.790 92.696 1.00 0.00 H ATOM 82 H TRP A 8 19.520 51.017 94.700 1.00 0.00 H ATOM 83 N LYS A 9 15.704 51.384 93.733 1.00 17.20 N ATOM 84 CA LYS A 9 14.618 52.019 94.466 1.00 14.89 C ATOM 85 C LYS A 9 13.438 51.058 94.591 1.00 14.99 C ATOM 86 O LYS A 9 13.073 50.364 93.633 1.00 13.53 O ATOM 87 CB LYS A 9 14.222 53.316 93.756 1.00 16.50 C ATOM 88 CG LYS A 9 13.175 54.163 94.435 1.00 17.95 C ATOM 89 CD LYS A 9 13.083 55.518 93.726 1.00 21.23 C ATOM 90 CE LYS A 9 12.409 56.582 94.590 1.00 15.67 C ATOM 91 NZ LYS A 9 12.625 57.971 94.083 1.00 18.97 N ATOM 92 HZ1 LYS A 9 13.644 58.178 94.065 1.00 0.00 H ATOM 93 HZ2 LYS A 9 12.237 58.052 93.122 1.00 0.00 H ATOM 94 HZ3 LYS A 9 12.144 58.647 94.711 1.00 0.00 H ATOM 95 H LYS A 9 15.585 51.209 92.715 1.00 0.00 H ATOM 96 N MET A 10 12.845 51.006 95.775 1.00 14.61 N ATOM 97 CA MET A 10 11.741 50.080 96.008 1.00 13.33 C ATOM 98 C MET A 10 10.520 50.431 95.162 1.00 15.28 C ATOM 99 O MET A 10 10.050 51.570 95.179 1.00 15.81 O ATOM 100 CB MET A 10 11.351 50.086 97.487 1.00 14.32 C ATOM 101 CG MET A 10 10.212 49.138 97.774 1.00 16.74 C ATOM 102 SD MET A 10 9.914 48.912 99.543 1.00 14.58 S ATOM 103 CE MET A 10 11.262 47.819 99.951 1.00 16.35 C ATOM 104 H MET A 10 13.168 51.629 96.543 1.00 0.00 H ATOM 105 N LEU A 11 10.004 49.437 94.451 1.00 13.87 N ATOM 106 CA LEU A 11 8.777 49.564 93.662 1.00 14.87 C ATOM 107 C LEU A 11 7.579 48.917 94.332 1.00 14.85 C ATOM 108 O LEU A 11 6.500 49.518 94.374 1.00 15.46 O ATOM 109 CB LEU A 11 8.973 48.927 92.278 1.00 15.21 C ATOM 110 CG LEU A 11 7.811 49.187 91.300 1.00 16.32 C ATOM 111 CD1 LEU A 11 7.874 50.609 90.779 1.00 16.88 C ATOM 112 CD2 LEU A 11 7.950 48.198 90.191 1.00 19.73 C ATOM 113 H LEU A 11 10.496 48.521 94.454 1.00 0.00 H ATOM 114 N VAL A 12 7.733 47.716 94.883 1.00 14.79 N ATOM 115 CA VAL A 12 6.643 47.052 95.580 1.00 16.36 C ATOM 116 C VAL A 12 7.228 46.277 96.744 1.00 17.30 C ATOM 117 O VAL A 12 8.395 45.860 96.715 1.00 15.70 O ATOM 118 CB VAL A 12 5.829 46.091 94.689 1.00 15.62 C ATOM 119 CG1 VAL A 12 5.078 46.836 93.586 1.00 16.58 C ATOM 120 CG2 VAL A 12 6.750 45.049 94.047 1.00 19.56 C ATOM 121 H VAL A 12 8.655 47.240 94.814 1.00 0.00 H ATOM 122 N ASN A 13 6.379 46.070 97.750 1.00 15.81 N ATOM 123 CA ASN A 13 6.719 45.344 98.962 1.00 14.98 C ATOM 124 C ASN A 13 5.433 44.667 99.440 1.00 16.33 C ATOM 125 O ASN A 13 4.545 45.330 99.995 1.00 16.69 O ATOM 126 CB ASN A 13 7.276 46.300 100.000 1.00 16.75 C ATOM 127 CG ASN A 13 7.699 45.604 101.261 1.00 18.48 C ATOM 128 OD1 ASN A 13 7.888 44.397 101.268 1.00 16.68 O ATOM 129 ND2 ASN A 13 7.923 46.376 102.309 1.00 21.62 N ATOM 130 HD22 ASN A 13 7.745 47.399 102.249 1.00 0.00 H ATOM 131 HD21 ASN A 13 8.277 45.961 103.194 1.00 0.00 H ATOM 132 H ASN A 13 5.415 46.451 97.662 1.00 0.00 H ATOM 133 N GLU A 14 5.352 43.357 99.214 1.00 14.21 N ATOM 134 CA GLU A 14 4.156 42.551 99.404 1.00 15.44 C ATOM 135 C GLU A 14 4.303 41.637 100.614 1.00 17.34 C ATOM 136 O GLU A 14 5.309 40.936 100.760 1.00 14.89 O ATOM 137 CB GLU A 14 3.909 41.750 98.117 1.00 18.13 C ATOM 138 CG GLU A 14 2.832 40.689 98.140 1.00 21.90 C ATOM 139 CD GLU A 14 2.750 39.948 96.787 1.00 25.92 C ATOM 140 OE1 GLU A 14 1.675 39.884 96.220 1.00 23.06 O ATOM 141 OE2 GLU A 14 3.774 39.448 96.264 1.00 27.41 O ATOM 142 H GLU A 14 6.209 42.874 98.876 1.00 0.00 H ATOM 143 N ASN A 15 3.286 41.672 101.481 1.00 15.10 N ATOM 144 CA ASN A 15 3.157 40.793 102.641 1.00 16.95 C ATOM 145 C ASN A 15 4.302 40.964 103.655 1.00 14.52 C ATOM 146 O ASN A 15 4.645 40.029 104.383 1.00 16.14 O ATOM 147 CB ASN A 15 3.058 39.338 102.209 1.00 15.68 C ATOM 148 CG ASN A 15 2.334 38.498 103.221 1.00 20.32 C ATOM 149 OD1 ASN A 15 1.399 38.969 103.870 1.00 23.38 O ATOM 150 ND2 ASN A 15 2.740 37.241 103.348 1.00 19.61 N ATOM 151 HD22 ASN A 15 3.535 36.891 102.776 1.00 0.00 H ATOM 152 HD21 ASN A 15 2.263 36.606 104.019 1.00 0.00 H ATOM 153 H ASN A 15 2.535 42.373 101.319 1.00 0.00 H ATOM 154 N PHE A 16 4.869 42.167 103.762 1.00 16.42 N ATOM 155 CA PHE A 16 5.972 42.419 104.691 1.00 14.75 C ATOM 156 C PHE A 16 5.497 42.399 106.138 1.00 15.26 C ATOM 157 O PHE A 16 6.219 41.944 107.030 1.00 18.09 O ATOM 158 CB PHE A 16 6.599 43.767 104.344 1.00 16.05 C ATOM 159 CG PHE A 16 7.892 44.081 105.059 1.00 16.13 C ATOM 160 CD1 PHE A 16 8.926 43.175 105.050 1.00 15.52 C ATOM 161 CD2 PHE A 16 8.075 45.303 105.693 1.00 15.05 C ATOM 162 CE1 PHE A 16 10.131 43.465 105.631 1.00 16.38 C ATOM 163 CE2 PHE A 16 9.283 45.595 106.330 1.00 18.13 C ATOM 164 CZ PHE A 16 10.312 44.676 106.284 1.00 15.70 C ATOM 165 H PHE A 16 4.518 42.946 103.170 1.00 0.00 H ATOM 166 N GLU A 17 4.281 42.883 106.400 1.00 15.55 N ATOM 167 CA GLU A 17 3.836 42.919 107.793 1.00 20.68 C ATOM 168 C GLU A 17 3.662 41.509 108.356 1.00 19.05 C ATOM 169 O GLU A 17 3.994 41.262 109.520 1.00 21.17 O ATOM 170 CB GLU A 17 2.563 43.766 107.898 1.00 23.20 C ATOM 171 CG GLU A 17 2.890 45.275 107.765 1.00 34.46 C ATOM 172 CD GLU A 17 1.749 46.210 108.147 1.00 41.62 C ATOM 173 OE1 GLU A 17 0.805 45.759 108.823 1.00 39.74 O ATOM 174 OE2 GLU A 17 1.809 47.404 107.772 1.00 36.58 O ATOM 175 H GLU A 17 3.666 43.225 105.634 1.00 0.00 H ATOM 176 N GLU A 18 3.167 40.567 107.553 1.00 19.51 N ATOM 177 CA GLU A 18 3.032 39.187 108.020 1.00 16.27 C ATOM 178 C GLU A 18 4.394 38.536 108.205 1.00 16.07 C ATOM 179 O GLU A 18 4.575 37.707 109.114 1.00 21.03 O ATOM 180 CB GLU A 18 2.197 38.365 107.042 1.00 22.17 C ATOM 181 CG GLU A 18 0.704 38.670 107.097 1.00 32.06 C ATOM 182 CD GLU A 18 0.073 38.295 108.437 1.00 28.51 C ATOM 183 OE1 GLU A 18 0.062 39.141 109.360 1.00 30.90 O ATOM 184 OE2 GLU A 18 -0.393 37.150 108.559 1.00 26.95 O ATOM 185 H GLU A 18 2.874 40.815 106.586 1.00 0.00 H ATOM 186 N TYR A 19 5.339 38.853 107.331 1.00 17.40 N ATOM 187 CA TYR A 19 6.718 38.407 107.529 1.00 14.67 C ATOM 188 C TYR A 19 7.248 38.905 108.877 1.00 16.03 C ATOM 189 O TYR A 19 7.741 38.118 109.687 1.00 15.24 O ATOM 190 CB TYR A 19 7.587 38.874 106.354 1.00 14.70 C ATOM 191 CG TYR A 19 9.051 38.636 106.517 1.00 14.76 C ATOM 192 CD1 TYR A 19 9.628 37.405 106.262 1.00 16.31 C ATOM 193 CD2 TYR A 19 9.864 39.653 106.975 1.00 13.09 C ATOM 194 CE1 TYR A 19 10.975 37.194 106.469 1.00 14.88 C ATOM 195 CE2 TYR A 19 11.214 39.461 107.157 1.00 15.95 C ATOM 196 CZ TYR A 19 11.758 38.235 106.906 1.00 13.43 C ATOM 197 OH TYR A 19 13.113 38.080 107.097 1.00 16.71 O ATOM 198 HH TYR A 19 13.371 37.149 106.880 1.00 0.00 H ATOM 199 H TYR A 19 5.098 39.424 106.496 1.00 0.00 H ATOM 200 N LEU A 20 7.043 40.191 109.174 1.00 17.92 N ATOM 201 CA LEU A 20 7.530 40.743 110.435 1.00 18.77 C ATOM 202 C LEU A 20 6.761 40.165 111.613 1.00 18.98 C ATOM 203 O LEU A 20 7.345 39.910 112.673 1.00 18.62 O ATOM 204 CB LEU A 20 7.415 42.263 110.423 1.00 19.10 C ATOM 205 CG LEU A 20 8.279 43.016 109.424 1.00 18.80 C ATOM 206 CD1 LEU A 20 8.052 44.508 109.621 1.00 34.47 C ATOM 207 CD2 LEU A 20 9.739 42.684 109.573 1.00 19.68 C ATOM 208 H LEU A 20 6.534 40.802 108.504 1.00 0.00 H ATOM 209 N ARG A 21 5.447 39.976 111.458 1.00 18.87 N ATOM 210 CA ARG A 21 4.677 39.349 112.529 1.00 24.61 C ATOM 211 C ARG A 21 5.212 37.952 112.844 1.00 27.38 C ATOM 212 O ARG A 21 5.264 37.553 114.016 1.00 27.58 O ATOM 213 CB ARG A 21 3.193 39.291 112.162 1.00 22.74 C ATOM 214 CG ARG A 21 2.282 38.844 113.313 1.00 22.74 C ATOM 215 CD ARG A 21 0.812 38.939 112.944 1.00 22.37 C ATOM 216 NE ARG A 21 0.387 37.987 111.922 1.00 28.83 N ATOM 217 CZ ARG A 21 -0.079 36.754 112.154 1.00 40.39 C ATOM 218 NH1 ARG A 21 -0.159 36.269 113.388 1.00 34.47 N ATOM 219 NH2 ARG A 21 -0.468 35.993 111.133 1.00 38.51 N ATOM 220 HE ARG A 21 0.452 38.293 110.930 1.00 0.00 H ATOM 221 HH12 ARG A 21 -0.524 35.308 113.546 1.00 0.00 H ATOM 222 HH11 ARG A 21 0.144 36.850 114.196 1.00 0.00 H ATOM 223 HH22 ARG A 21 -0.831 35.034 111.308 1.00 0.00 H ATOM 224 HH21 ARG A 21 -0.409 36.357 110.161 1.00 0.00 H ATOM 225 H ARG A 21 4.976 40.274 110.580 1.00 0.00 H ATOM 226 N ALA A 22 5.590 37.181 111.812 1.00 20.32 N ATOM 227 CA ALA A 22 6.193 35.869 112.054 1.00 22.23 C ATOM 228 C ALA A 22 7.521 35.966 112.802 1.00 27.68 C ATOM 229 O ALA A 22 7.934 34.997 113.449 1.00 29.04 O ATOM 230 CB ALA A 22 6.386 35.125 110.733 1.00 19.21 C ATOM 231 H ALA A 22 5.454 37.517 110.837 1.00 0.00 H ATOM 232 N LEU A 23 8.224 37.097 112.700 1.00 17.02 N ATOM 233 CA LEU A 23 9.435 37.360 113.482 1.00 25.22 C ATOM 234 C LEU A 23 9.125 37.948 114.862 1.00 23.71 C ATOM 235 O LEU A 23 10.046 38.374 115.570 1.00 20.33 O ATOM 236 CB LEU A 23 10.355 38.313 112.715 1.00 22.76 C ATOM 237 CG LEU A 23 10.951 37.802 111.402 1.00 18.99 C ATOM 238 CD1 LEU A 23 11.841 38.865 110.796 1.00 18.70 C ATOM 239 CD2 LEU A 23 11.719 36.533 111.598 1.00 18.52 C ATOM 240 H LEU A 23 7.896 37.826 112.034 1.00 0.00 H ATOM 241 N ASP A 24 7.844 38.034 115.221 1.00 26.50 N ATOM 242 CA ASP A 24 7.409 38.528 116.520 1.00 29.19 C ATOM 243 C ASP A 24 7.724 40.011 116.722 1.00 27.89 C ATOM 244 O ASP A 24 7.899 40.460 117.853 1.00 24.33 O ATOM 245 CB ASP A 24 8.021 37.678 117.646 1.00 30.37 C ATOM 246 CG ASP A 24 7.825 36.198 117.408 1.00 22.67 C ATOM 247 OD1 ASP A 24 6.657 35.739 117.416 1.00 32.77 O ATOM 248 OD2 ASP A 24 8.820 35.494 117.170 1.00 29.09 O ATOM 249 H ASP A 24 7.119 37.733 114.539 1.00 0.00 H ATOM 250 N VAL A 25 7.786 40.792 115.639 1.00 22.27 N ATOM 251 CA VAL A 25 7.937 42.243 115.742 1.00 16.91 C ATOM 252 C VAL A 25 6.625 42.859 116.209 1.00 23.56 C ATOM 253 O VAL A 25 5.536 42.441 115.786 1.00 26.21 O ATOM 254 CB VAL A 25 8.387 42.813 114.381 1.00 17.97 C ATOM 255 CG1 VAL A 25 8.556 44.325 114.443 1.00 21.66 C ATOM 256 CG2 VAL A 25 9.751 42.196 113.931 1.00 18.91 C ATOM 257 H VAL A 25 7.725 40.356 114.697 1.00 0.00 H ATOM 258 N ASN A 26 6.702 43.851 117.100 1.00 24.29 N ATOM 259 CA ASN A 26 5.463 44.323 117.698 1.00 21.38 C ATOM 260 C ASN A 26 4.678 45.139 116.675 1.00 22.42 C ATOM 261 O ASN A 26 5.228 45.624 115.685 1.00 23.38 O ATOM 262 CB ASN A 26 5.735 45.119 118.981 1.00 24.53 C ATOM 263 CG ASN A 26 6.590 46.341 118.750 1.00 29.45 C ATOM 264 OD1 ASN A 26 6.155 47.325 118.148 1.00 26.22 O ATOM 265 ND2 ASN A 26 7.809 46.303 119.264 1.00 50.90 N ATOM 266 HD22 ASN A 26 8.136 45.452 119.765 1.00 0.00 H ATOM 267 HD21 ASN A 26 8.440 47.124 119.167 1.00 0.00 H ATOM 268 H ASN A 26 7.617 44.272 117.358 1.00 0.00 H ATOM 269 N VAL A 27 3.361 45.235 116.879 1.00 25.94 N ATOM 270 CA VAL A 27 2.509 45.731 115.792 1.00 23.79 C ATOM 271 C VAL A 27 2.844 47.180 115.450 1.00 25.94 C ATOM 272 O VAL A 27 2.850 47.563 114.276 1.00 28.47 O ATOM 273 CB VAL A 27 1.013 45.567 116.129 1.00 30.68 C ATOM 274 CG1 VAL A 27 0.628 46.303 117.383 1.00 23.53 C ATOM 275 CG2 VAL A 27 0.186 46.057 114.959 1.00 29.70 C ATOM 276 H VAL A 27 2.947 44.963 117.793 1.00 0.00 H ATOM 277 N ALA A 28 3.116 48.008 116.460 1.00 25.50 N ATOM 278 CA ALA A 28 3.460 49.404 116.194 1.00 29.72 C ATOM 279 C ALA A 28 4.688 49.515 115.295 1.00 24.48 C ATOM 280 O ALA A 28 4.699 50.301 114.339 1.00 25.49 O ATOM 281 CB ALA A 28 3.675 50.151 117.517 1.00 36.01 C ATOM 282 H ALA A 28 3.083 47.660 117.439 1.00 0.00 H ATOM 283 N LEU A 29 5.726 48.712 115.551 1.00 23.82 N ATOM 284 CA LEU A 29 6.901 48.739 114.682 1.00 23.65 C ATOM 285 C LEU A 29 6.627 48.103 113.321 1.00 19.73 C ATOM 286 O LEU A 29 7.211 48.515 112.314 1.00 26.35 O ATOM 287 CB LEU A 29 8.076 48.029 115.352 1.00 22.60 C ATOM 288 CG LEU A 29 9.371 47.992 114.526 1.00 27.29 C ATOM 289 CD1 LEU A 29 9.832 49.398 114.105 1.00 27.26 C ATOM 290 CD2 LEU A 29 10.487 47.288 115.281 1.00 42.77 C ATOM 291 H LEU A 29 5.697 48.069 116.368 1.00 0.00 H ATOM 292 N ARG A 30 5.731 47.106 113.264 1.00 18.81 N ATOM 293 CA ARG A 30 5.373 46.537 111.971 1.00 27.39 C ATOM 294 C ARG A 30 4.783 47.610 111.072 1.00 24.06 C ATOM 295 O ARG A 30 5.136 47.705 109.898 1.00 23.06 O ATOM 296 CB ARG A 30 4.393 45.373 112.136 1.00 17.76 C ATOM 297 CG ARG A 30 4.980 44.186 112.848 1.00 23.53 C ATOM 298 CD ARG A 30 4.205 42.923 112.580 1.00 22.54 C ATOM 299 NE ARG A 30 2.783 42.992 112.882 1.00 23.27 N ATOM 300 CZ ARG A 30 2.208 42.574 114.005 1.00 24.49 C ATOM 301 NH1 ARG A 30 2.928 42.093 115.010 1.00 26.59 N ATOM 302 NH2 ARG A 30 0.891 42.659 114.134 1.00 25.93 N ATOM 303 HE ARG A 30 2.163 43.404 112.156 1.00 0.00 H ATOM 304 HH12 ARG A 30 2.457 41.771 115.880 1.00 0.00 H ATOM 305 HH11 ARG A 30 3.963 42.037 114.928 1.00 0.00 H ATOM 306 HH22 ARG A 30 0.432 42.334 115.009 1.00 0.00 H ATOM 307 HH21 ARG A 30 0.317 43.050 113.360 1.00 0.00 H ATOM 308 H ARG A 30 5.295 46.742 114.136 1.00 0.00 H ATOM 309 N LYS A 31 3.946 48.474 111.658 1.00 22.92 N ATOM 310 CA LYS A 31 3.208 49.542 110.981 1.00 24.18 C ATOM 311 C LYS A 31 4.098 50.725 110.594 1.00 20.43 C ATOM 312 O LYS A 31 3.773 51.441 109.640 1.00 17.22 O ATOM 313 CB LYS A 31 2.061 49.963 111.916 1.00 30.52 C ATOM 314 CG LYS A 31 1.360 51.298 111.686 1.00 32.72 C ATOM 315 CD LYS A 31 0.372 51.582 112.842 1.00 24.64 C ATOM 316 CE LYS A 31 -0.060 53.040 112.932 1.00 21.01 C ATOM 317 NZ LYS A 31 -0.635 53.354 114.256 1.00 22.73 N ATOM 318 HZ1 LYS A 31 -1.467 52.753 114.423 1.00 0.00 H ATOM 319 HZ2 LYS A 31 0.077 53.175 114.993 1.00 0.00 H ATOM 320 HZ3 LYS A 31 -0.918 54.354 114.281 1.00 0.00 H ATOM 321 H LYS A 31 3.808 48.379 112.684 1.00 0.00 H ATOM 322 N ILE A 32 5.200 50.933 111.327 1.00 21.16 N ATOM 323 CA ILE A 32 6.252 51.890 110.969 1.00 24.77 C ATOM 324 C ILE A 32 7.109 51.320 109.847 1.00 25.36 C ATOM 325 O ILE A 32 7.398 51.987 108.845 1.00 29.73 O ATOM 326 CB ILE A 32 7.120 52.224 112.197 1.00 22.83 C ATOM 327 CG1 ILE A 32 6.357 53.067 113.214 1.00 27.90 C ATOM 328 CG2 ILE A 32 8.413 52.966 111.764 1.00 25.74 C ATOM 329 CD1 ILE A 32 7.047 53.105 114.608 1.00 24.28 C ATOM 330 H ILE A 32 5.316 50.383 112.202 1.00 0.00 H ATOM 331 N ALA A 33 7.538 50.070 110.011 1.00 19.01 N ATOM 332 CA ALA A 33 8.487 49.462 109.095 1.00 19.80 C ATOM 333 C ALA A 33 7.907 49.263 107.705 1.00 29.16 C ATOM 334 O ALA A 33 8.645 49.346 106.716 1.00 23.29 O ATOM 335 CB ALA A 33 8.958 48.121 109.657 1.00 25.26 C ATOM 336 H ALA A 33 7.184 49.515 110.816 1.00 0.00 H ATOM 337 N ASN A 34 6.606 48.991 107.608 1.00 25.31 N ATOM 338 CA ASN A 34 6.007 48.768 106.303 1.00 29.60 C ATOM 339 C ASN A 34 5.696 50.065 105.573 1.00 23.14 C ATOM 340 O ASN A 34 5.503 50.033 104.355 1.00 23.76 O ATOM 341 CB ASN A 34 4.743 47.927 106.433 1.00 27.14 C ATOM 342 CG ASN A 34 4.178 47.513 105.068 1.00 24.36 C ATOM 343 OD1 ASN A 34 4.859 46.874 104.253 1.00 26.08 O ATOM 344 ND2 ASN A 34 2.939 47.874 104.828 1.00 25.76 N ATOM 345 HD22 ASN A 34 2.406 48.410 105.542 1.00 0.00 H ATOM 346 HD21 ASN A 34 2.491 47.624 103.924 1.00 0.00 H ATOM 347 H ASN A 34 6.020 48.938 108.466 1.00 0.00 H ATOM 348 N LEU A 35 5.717 51.207 106.263 1.00 16.14 N ATOM 349 CA LEU A 35 5.647 52.471 105.555 1.00 16.02 C ATOM 350 C LEU A 35 6.980 52.829 104.904 1.00 21.73 C ATOM 351 O LEU A 35 7.017 53.687 104.018 1.00 23.36 O ATOM 352 CB LEU A 35 5.199 53.593 106.499 1.00 22.65 C ATOM 353 CG LEU A 35 3.725 53.499 106.950 1.00 29.16 C ATOM 354 CD1 LEU A 35 3.488 54.428 108.118 1.00 28.08 C ATOM 355 CD2 LEU A 35 2.821 53.829 105.771 1.00 32.07 C ATOM 356 H LEU A 35 5.783 51.191 107.301 1.00 0.00 H ATOM 357 N LEU A 36 8.071 52.186 105.304 1.00 16.91 N ATOM 358 CA LEU A 36 9.377 52.571 104.787 1.00 18.96 C ATOM 359 C LEU A 36 9.611 51.962 103.414 1.00 16.94 C ATOM 360 O LEU A 36 9.233 50.821 103.150 1.00 18.75 O ATOM 361 CB LEU A 36 10.484 52.128 105.731 1.00 18.01 C ATOM 362 CG LEU A 36 10.404 52.697 107.151 1.00 23.81 C ATOM 363 CD1 LEU A 36 11.485 52.083 108.048 1.00 21.29 C ATOM 364 CD2 LEU A 36 10.483 54.209 107.170 1.00 27.13 C ATOM 365 H LEU A 36 7.993 51.406 105.988 1.00 0.00 H ATOM 366 N LYS A 37 10.296 52.716 102.566 1.00 17.14 N ATOM 367 CA LYS A 37 10.615 52.305 101.204 1.00 16.44 C ATOM 368 C LYS A 37 12.121 52.454 101.006 1.00 17.50 C ATOM 369 O LYS A 37 12.590 53.336 100.276 1.00 16.39 O ATOM 370 CB LYS A 37 9.816 53.135 100.200 1.00 19.85 C ATOM 371 CG LYS A 37 8.283 53.128 100.467 1.00 17.19 C ATOM 372 CD LYS A 37 7.718 51.722 100.319 1.00 17.02 C ATOM 373 CE LYS A 37 6.235 51.638 100.669 1.00 27.07 C ATOM 374 NZ LYS A 37 5.769 50.228 100.583 1.00 14.69 N ATOM 375 HZ1 LYS A 37 5.913 49.875 99.615 1.00 0.00 H ATOM 376 HZ2 LYS A 37 6.312 49.644 101.250 1.00 0.00 H ATOM 377 HZ3 LYS A 37 4.758 50.183 100.823 1.00 0.00 H ATOM 378 H LYS A 37 10.623 53.649 102.889 1.00 0.00 H ATOM 379 N PRO A 38 12.902 51.583 101.633 1.00 18.19 N ATOM 380 CA PRO A 38 14.353 51.744 101.582 1.00 15.99 C ATOM 381 C PRO A 38 14.888 51.479 100.184 1.00 13.60 C ATOM 382 O PRO A 38 14.339 50.692 99.417 1.00 15.51 O ATOM 383 CB PRO A 38 14.845 50.695 102.580 1.00 14.84 C ATOM 384 CG PRO A 38 13.838 49.606 102.468 1.00 19.69 C ATOM 385 CD PRO A 38 12.525 50.371 102.377 1.00 20.06 C ATOM 386 N ASP A 39 15.988 52.160 99.873 1.00 12.09 N ATOM 387 CA ASP A 39 16.801 51.879 98.699 1.00 12.74 C ATOM 388 C ASP A 39 17.748 50.731 99.015 1.00 17.54 C ATOM 389 O ASP A 39 18.015 50.440 100.183 1.00 13.66 O ATOM 390 CB ASP A 39 17.644 53.092 98.302 1.00 13.11 C ATOM 391 CG ASP A 39 16.825 54.336 97.985 1.00 19.62 C ATOM 392 OD1 ASP A 39 15.684 54.254 97.495 1.00 21.09 O ATOM 393 OD2 ASP A 39 17.370 55.433 98.181 1.00 22.26 O ATOM 394 H ASP A 39 16.282 52.934 100.502 1.00 0.00 H ATOM 395 N LYS A 40 18.264 50.093 97.959 1.00 15.11 N ATOM 396 CA LYS A 40 19.382 49.151 98.044 1.00 15.33 C ATOM 397 C LYS A 40 20.561 49.692 97.247 1.00 13.11 C ATOM 398 O LYS A 40 20.412 50.084 96.086 1.00 14.87 O ATOM 399 CB LYS A 40 19.016 47.781 97.499 1.00 13.35 C ATOM 400 CG LYS A 40 17.829 47.123 98.153 1.00 26.98 C ATOM 401 CD LYS A 40 18.238 46.160 99.196 1.00 28.54 C ATOM 402 CE LYS A 40 17.027 45.449 99.781 1.00 23.88 C ATOM 403 NZ LYS A 40 17.457 44.724 100.974 1.00 15.07 N ATOM 404 HZ1 LYS A 40 18.188 44.031 100.713 1.00 0.00 H ATOM 405 HZ2 LYS A 40 17.846 45.396 101.665 1.00 0.00 H ATOM 406 HZ3 LYS A 40 16.642 44.230 101.390 1.00 0.00 H ATOM 407 H LYS A 40 17.847 50.276 97.024 1.00 0.00 H ATOM 408 N GLU A 41 21.714 49.754 97.904 1.00 11.72 N ATOM 409 CA GLU A 41 22.996 50.025 97.267 1.00 15.50 C ATOM 410 C GLU A 41 23.846 48.785 97.433 1.00 12.07 C ATOM 411 O GLU A 41 24.211 48.414 98.564 1.00 12.18 O ATOM 412 CB GLU A 41 23.688 51.217 97.894 1.00 12.53 C ATOM 413 CG GLU A 41 25.003 51.596 97.236 1.00 16.42 C ATOM 414 CD GLU A 41 25.673 52.726 97.949 1.00 18.65 C ATOM 415 OE1 GLU A 41 26.599 52.467 98.751 1.00 15.55 O ATOM 416 OE2 GLU A 41 25.284 53.881 97.719 1.00 17.81 O ATOM 417 H GLU A 41 21.701 49.600 98.932 1.00 0.00 H ATOM 418 N ILE A 42 24.227 48.189 96.313 1.00 13.78 N ATOM 419 CA ILE A 42 24.916 46.921 96.310 1.00 12.55 C ATOM 420 C ILE A 42 26.238 47.121 95.589 1.00 18.04 C ATOM 421 O ILE A 42 26.280 47.732 94.512 1.00 14.95 O ATOM 422 CB ILE A 42 24.097 45.820 95.617 1.00 12.52 C ATOM 423 CG1 ILE A 42 22.823 45.534 96.412 1.00 12.77 C ATOM 424 CG2 ILE A 42 24.948 44.546 95.493 1.00 22.13 C ATOM 425 CD1 ILE A 42 21.809 44.621 95.700 1.00 14.96 C ATOM 426 H ILE A 42 24.022 48.651 95.404 1.00 0.00 H ATOM 427 N VAL A 43 27.310 46.599 96.178 1.00 13.76 N ATOM 428 CA VAL A 43 28.587 46.510 95.478 1.00 13.94 C ATOM 429 C VAL A 43 29.011 45.062 95.536 1.00 14.22 C ATOM 430 O VAL A 43 29.192 44.510 96.627 1.00 16.45 O ATOM 431 CB VAL A 43 29.663 47.421 96.078 1.00 14.29 C ATOM 432 CG1 VAL A 43 30.970 47.257 95.303 1.00 15.11 C ATOM 433 CG2 VAL A 43 29.204 48.859 96.070 1.00 18.98 C ATOM 434 H VAL A 43 27.237 46.248 97.154 1.00 0.00 H ATOM 435 N GLN A 44 29.127 44.436 94.377 1.00 14.66 N ATOM 436 CA GLN A 44 29.613 43.068 94.271 1.00 15.17 C ATOM 437 C GLN A 44 31.068 43.151 93.798 1.00 16.03 C ATOM 438 O GLN A 44 31.343 43.684 92.719 1.00 16.80 O ATOM 439 CB GLN A 44 28.755 42.269 93.306 1.00 15.97 C ATOM 440 CG GLN A 44 29.035 40.807 93.125 1.00 16.58 C ATOM 441 CD GLN A 44 28.002 40.223 92.168 1.00 22.27 C ATOM 442 OE1 GLN A 44 26.819 40.565 92.248 1.00 20.44 O ATOM 443 NE2 GLN A 44 28.442 39.379 91.254 1.00 25.02 N ATOM 444 HE22 GLN A 44 29.449 39.121 91.226 1.00 0.00 H ATOM 445 HE21 GLN A 44 27.782 38.972 90.561 1.00 0.00 H ATOM 446 H GLN A 44 28.861 44.941 93.507 1.00 0.00 H ATOM 447 N ASP A 45 31.988 42.637 94.608 1.00 16.43 N ATOM 448 CA ASP A 45 33.442 42.843 94.449 1.00 17.32 C ATOM 449 C ASP A 45 34.020 41.437 94.555 1.00 18.07 C ATOM 450 O ASP A 45 34.354 40.950 95.639 1.00 18.20 O ATOM 451 CB ASP A 45 33.915 43.837 95.520 1.00 17.16 C ATOM 452 CG ASP A 45 35.386 44.219 95.398 1.00 18.14 C ATOM 453 OD1 ASP A 45 35.988 43.938 94.344 1.00 18.87 O ATOM 454 OD2 ASP A 45 35.879 44.908 96.314 1.00 18.24 O ATOM 455 H ASP A 45 31.663 42.052 95.405 1.00 0.00 H ATOM 456 N GLY A 46 34.061 40.730 93.427 1.00 18.66 N ATOM 457 CA GLY A 46 34.426 39.326 93.488 1.00 19.45 C ATOM 458 C GLY A 46 33.370 38.581 94.286 1.00 26.44 C ATOM 459 O GLY A 46 32.178 38.768 94.064 1.00 24.41 O ATOM 460 H GLY A 46 33.835 41.177 92.516 1.00 0.00 H ATOM 461 N ASP A 47 33.776 37.732 95.239 1.00 21.16 N ATOM 462 CA ASP A 47 32.787 37.100 96.111 1.00 23.61 C ATOM 463 C ASP A 47 32.458 37.945 97.341 1.00 24.70 C ATOM 464 O ASP A 47 31.704 37.493 98.210 1.00 23.62 O ATOM 465 CB ASP A 47 33.276 35.729 96.560 1.00 24.69 C ATOM 466 CG ASP A 47 33.271 34.707 95.442 1.00 31.87 C ATOM 467 OD1 ASP A 47 32.326 34.691 94.620 1.00 41.07 O ATOM 468 OD2 ASP A 47 34.226 33.918 95.405 1.00 32.50 O ATOM 469 H ASP A 47 34.788 37.524 95.358 1.00 0.00 H ATOM 470 N HIS A 48 33.012 39.146 97.444 1.00 18.13 N ATOM 471 CA HIS A 48 32.718 40.051 98.550 1.00 17.00 C ATOM 472 C HIS A 48 31.518 40.906 98.179 1.00 15.99 C ATOM 473 O HIS A 48 31.591 41.702 97.239 1.00 16.72 O ATOM 474 CB HIS A 48 33.918 40.941 98.838 1.00 18.13 C ATOM 475 CG HIS A 48 33.705 41.928 99.943 1.00 18.05 C ATOM 476 ND1 HIS A 48 34.525 43.024 100.111 1.00 17.34 N ATOM 477 CD2 HIS A 48 32.793 41.979 100.948 1.00 19.70 C ATOM 478 CE1 HIS A 48 34.116 43.719 101.162 1.00 19.22 C ATOM 479 NE2 HIS A 48 33.069 43.104 101.688 1.00 16.40 N ATOM 480 H HIS A 48 33.681 39.454 96.709 1.00 0.00 H ATOM 481 N MET A 49 30.420 40.744 98.923 1.00 15.35 N ATOM 482 CA MET A 49 29.173 41.443 98.670 1.00 16.38 C ATOM 483 C MET A 49 28.886 42.417 99.804 1.00 14.04 C ATOM 484 O MET A 49 29.008 42.061 100.981 1.00 14.18 O ATOM 485 CB MET A 49 28.033 40.438 98.553 1.00 14.28 C ATOM 486 CG MET A 49 26.767 41.021 97.976 1.00 24.22 C ATOM 487 SD MET A 49 26.755 40.987 96.185 1.00 25.86 S ATOM 488 CE MET A 49 26.611 39.236 95.820 1.00 30.07 C ATOM 489 H MET A 49 30.461 40.083 99.725 1.00 0.00 H ATOM 490 N ILE A 50 28.515 43.636 99.446 1.00 13.70 N ATOM 491 CA ILE A 50 27.957 44.597 100.384 1.00 20.71 C ATOM 492 C ILE A 50 26.557 44.983 99.888 1.00 17.68 C ATOM 493 O ILE A 50 26.406 45.487 98.775 1.00 13.21 O ATOM 494 CB ILE A 50 28.853 45.827 100.522 1.00 15.71 C ATOM 495 CG1 ILE A 50 30.207 45.383 101.093 1.00 16.39 C ATOM 496 CG2 ILE A 50 28.202 46.863 101.423 1.00 18.64 C ATOM 497 CD1 ILE A 50 31.306 46.383 100.951 1.00 20.34 C ATOM 498 H ILE A 50 28.627 43.919 98.451 1.00 0.00 H ATOM 499 N ILE A 51 25.545 44.793 100.731 1.00 12.32 N ATOM 500 CA ILE A 51 24.168 45.159 100.411 1.00 11.78 C ATOM 501 C ILE A 51 23.751 46.156 101.484 1.00 11.63 C ATOM 502 O ILE A 51 23.605 45.780 102.657 1.00 13.03 O ATOM 503 CB ILE A 51 23.231 43.944 100.391 1.00 11.65 C ATOM 504 CG1 ILE A 51 23.705 42.898 99.396 1.00 16.17 C ATOM 505 CG2 ILE A 51 21.792 44.392 100.099 1.00 11.71 C ATOM 506 CD1 ILE A 51 22.923 41.599 99.438 1.00 15.65 C ATOM 507 H ILE A 51 25.743 44.365 101.658 1.00 0.00 H ATOM 508 N ARG A 52 23.605 47.423 101.092 1.00 11.61 N ATOM 509 CA ARG A 52 23.167 48.472 101.998 1.00 11.62 C ATOM 510 C ARG A 52 21.671 48.700 101.775 1.00 13.12 C ATOM 511 O ARG A 52 21.255 49.069 100.668 1.00 14.14 O ATOM 512 CB ARG A 52 23.928 49.766 101.781 1.00 12.01 C ATOM 513 CG ARG A 52 25.460 49.601 101.860 1.00 12.43 C ATOM 514 CD ARG A 52 26.210 50.921 101.740 1.00 17.90 C ATOM 515 NE ARG A 52 27.619 50.711 102.083 1.00 28.90 N ATOM 516 CZ ARG A 52 28.617 50.442 101.235 1.00 48.29 C ATOM 517 NH1 ARG A 52 28.426 50.359 99.934 1.00 36.67 N ATOM 518 NH2 ARG A 52 29.844 50.264 101.703 1.00 52.92 N ATOM 519 HE ARG A 52 27.869 50.778 103.090 1.00 0.00 H ATOM 520 HH12 ARG A 52 29.226 50.148 99.303 1.00 0.00 H ATOM 521 HH11 ARG A 52 27.476 50.505 99.538 1.00 0.00 H ATOM 522 HH22 ARG A 52 30.625 50.054 101.049 1.00 0.00 H ATOM 523 HH21 ARG A 52 30.026 50.334 102.725 1.00 0.00 H ATOM 524 H ARG A 52 23.812 47.669 100.103 1.00 0.00 H ATOM 525 N THR A 53 20.879 48.502 102.826 1.00 12.58 N ATOM 526 CA THR A 53 19.450 48.829 102.814 1.00 11.42 C ATOM 527 C THR A 53 19.282 50.164 103.534 1.00 11.71 C ATOM 528 O THR A 53 19.511 50.260 104.741 1.00 12.09 O ATOM 529 CB THR A 53 18.635 47.711 103.478 1.00 15.42 C ATOM 530 OG1 THR A 53 18.867 46.489 102.782 1.00 15.38 O ATOM 531 CG2 THR A 53 17.091 47.984 103.452 1.00 14.15 C ATOM 532 HG1 THR A 53 19.831 46.267 102.820 1.00 0.00 H ATOM 533 H THR A 53 21.291 48.099 103.692 1.00 0.00 H ATOM 534 N LEU A 54 18.882 51.189 102.787 1.00 11.61 N ATOM 535 CA LEU A 54 19.038 52.580 103.185 1.00 13.84 C ATOM 536 C LEU A 54 17.696 53.280 103.325 1.00 12.31 C ATOM 537 O LEU A 54 16.894 53.286 102.379 1.00 14.14 O ATOM 538 CB LEU A 54 19.876 53.304 102.142 1.00 12.32 C ATOM 539 CG LEU A 54 21.288 52.713 101.960 1.00 13.42 C ATOM 540 CD1 LEU A 54 21.931 53.279 100.716 1.00 21.99 C ATOM 541 CD2 LEU A 54 22.155 52.939 103.210 1.00 17.63 C ATOM 542 H LEU A 54 18.434 50.986 101.871 1.00 0.00 H ATOM 543 N SER A 55 17.511 53.959 104.457 1.00 17.13 N ATOM 544 CA SER A 55 16.361 54.832 104.654 1.00 14.56 C ATOM 545 C SER A 55 16.719 55.856 105.718 1.00 19.99 C ATOM 546 O SER A 55 17.700 55.708 106.448 1.00 18.99 O ATOM 547 CB SER A 55 15.131 54.035 105.057 1.00 16.98 C ATOM 548 OG SER A 55 15.146 53.669 106.410 1.00 18.31 O ATOM 549 HG SER A 55 15.943 53.111 106.591 1.00 0.00 H ATOM 550 H SER A 55 18.208 53.863 105.223 1.00 0.00 H ATOM 551 N THR A 56 15.891 56.901 105.816 1.00 23.43 N ATOM 552 CA THR A 56 16.079 57.861 106.899 1.00 32.39 C ATOM 553 C THR A 56 15.721 57.250 108.249 1.00 20.90 C ATOM 554 O THR A 56 16.306 57.626 109.278 1.00 21.66 O ATOM 555 CB THR A 56 15.244 59.108 106.639 1.00 34.37 C ATOM 556 OG1 THR A 56 13.888 58.722 106.392 1.00 38.16 O ATOM 557 CG2 THR A 56 15.796 59.879 105.440 1.00 28.10 C ATOM 558 HG1 THR A 56 13.854 58.127 105.601 1.00 0.00 H ATOM 559 H THR A 56 15.121 57.028 105.128 1.00 0.00 H ATOM 560 N PHE A 57 14.762 56.314 108.278 1.00 32.69 N ATOM 561 CA PHE A 57 14.420 55.675 109.549 1.00 40.99 C ATOM 562 C PHE A 57 15.580 54.841 110.070 1.00 30.15 C ATOM 563 O PHE A 57 15.839 54.796 111.281 1.00 26.88 O ATOM 564 CB PHE A 57 13.175 54.798 109.392 1.00 29.84 C ATOM 565 CG PHE A 57 12.817 54.025 110.631 1.00 24.87 C ATOM 566 CD1 PHE A 57 12.058 54.614 111.616 1.00 20.36 C ATOM 567 CD2 PHE A 57 13.218 52.705 110.800 1.00 20.93 C ATOM 568 CE1 PHE A 57 11.717 53.905 112.737 1.00 18.70 C ATOM 569 CE2 PHE A 57 12.881 51.996 111.912 1.00 24.51 C ATOM 570 CZ PHE A 57 12.119 52.586 112.879 1.00 21.48 C ATOM 571 H PHE A 57 14.265 56.044 107.405 1.00 0.00 H ATOM 572 N ARG A 58 16.268 54.148 109.174 1.00 22.94 N ATOM 573 CA ARG A 58 17.322 53.245 109.584 1.00 17.50 C ATOM 574 C ARG A 58 18.046 52.717 108.360 1.00 17.33 C ATOM 575 O ARG A 58 17.458 52.562 107.283 1.00 15.41 O ATOM 576 CB ARG A 58 16.749 52.075 110.388 1.00 23.00 C ATOM 577 CG ARG A 58 17.826 51.416 111.266 1.00 40.68 C ATOM 578 CD ARG A 58 17.279 50.285 112.104 1.00 42.27 C ATOM 579 NE ARG A 58 16.321 50.773 113.084 1.00 46.14 N ATOM 580 CZ ARG A 58 15.566 49.984 113.834 1.00 32.45 C ATOM 581 NH1 ARG A 58 15.660 48.665 113.706 1.00 45.35 N ATOM 582 NH2 ARG A 58 14.717 50.506 114.715 1.00 29.17 N ATOM 583 HE ARG A 58 16.223 51.802 113.203 1.00 0.00 H ATOM 584 HH12 ARG A 58 15.069 48.042 114.293 1.00 0.00 H ATOM 585 HH11 ARG A 58 16.325 48.255 113.019 1.00 0.00 H ATOM 586 HH22 ARG A 58 14.127 49.882 115.301 1.00 0.00 H ATOM 587 HH21 ARG A 58 14.643 51.538 114.818 1.00 0.00 H ATOM 588 H ARG A 58 16.048 54.254 108.163 1.00 0.00 H ATOM 589 N ASN A 59 19.324 52.427 108.538 1.00 15.86 N ATOM 590 CA ASN A 59 20.043 51.627 107.567 1.00 14.99 C ATOM 591 C ASN A 59 20.357 50.261 108.169 1.00 16.37 C ATOM 592 O ASN A 59 20.639 50.132 109.370 1.00 15.87 O ATOM 593 CB ASN A 59 21.360 52.287 107.147 1.00 13.75 C ATOM 594 CG ASN A 59 21.201 53.671 106.508 1.00 18.64 C ATOM 595 OD1 ASN A 59 20.179 54.010 105.900 1.00 19.21 O ATOM 596 ND2 ASN A 59 22.259 54.465 106.617 1.00 22.97 N ATOM 597 HD22 ASN A 59 23.100 54.142 107.137 1.00 0.00 H ATOM 598 HD21 ASN A 59 22.247 55.410 106.182 1.00 0.00 H ATOM 599 H ASN A 59 19.818 52.777 109.384 1.00 0.00 H ATOM 600 N TYR A 60 20.361 49.243 107.320 1.00 14.32 N ATOM 601 CA TYR A 60 20.816 47.907 107.698 1.00 14.58 C ATOM 602 C TYR A 60 21.803 47.437 106.636 1.00 13.61 C ATOM 603 O TYR A 60 21.471 47.365 105.439 1.00 13.44 O ATOM 604 CB TYR A 60 19.663 46.918 107.862 1.00 14.65 C ATOM 605 CG TYR A 60 20.175 45.534 108.158 1.00 19.54 C ATOM 606 CD1 TYR A 60 20.753 45.225 109.392 1.00 25.59 C ATOM 607 CD2 TYR A 60 20.146 44.539 107.178 1.00 19.35 C ATOM 608 CE1 TYR A 60 21.258 43.963 109.646 1.00 21.86 C ATOM 609 CE2 TYR A 60 20.630 43.261 107.432 1.00 21.63 C ATOM 610 CZ TYR A 60 21.183 42.981 108.671 1.00 18.69 C ATOM 611 OH TYR A 60 21.700 41.738 108.923 1.00 18.40 O ATOM 612 HH TYR A 60 20.988 41.058 108.818 1.00 0.00 H ATOM 613 H TYR A 60 20.028 49.401 106.348 1.00 0.00 H ATOM 614 N ILE A 61 23.015 47.131 107.082 1.00 13.75 N ATOM 615 CA ILE A 61 24.156 46.879 106.204 1.00 15.11 C ATOM 616 C ILE A 61 24.526 45.410 106.317 1.00 15.92 C ATOM 617 O ILE A 61 24.747 44.896 107.427 1.00 16.38 O ATOM 618 CB ILE A 61 25.368 47.753 106.555 1.00 15.44 C ATOM 619 CG1 ILE A 61 24.993 49.238 106.669 1.00 18.59 C ATOM 620 CG2 ILE A 61 26.506 47.485 105.554 1.00 17.30 C ATOM 621 CD1 ILE A 61 24.354 49.846 105.439 1.00 20.27 C ATOM 622 H ILE A 61 23.160 47.067 108.110 1.00 0.00 H ATOM 623 N MET A 62 24.576 44.735 105.171 1.00 12.44 N ATOM 624 CA MET A 62 25.155 43.404 105.078 1.00 15.70 C ATOM 625 C MET A 62 26.472 43.523 104.330 1.00 18.84 C ATOM 626 O MET A 62 26.570 44.244 103.332 1.00 15.20 O ATOM 627 CB MET A 62 24.279 42.405 104.338 1.00 13.33 C ATOM 628 CG MET A 62 23.003 42.098 104.993 1.00 20.90 C ATOM 629 SD MET A 62 22.156 40.822 104.033 1.00 18.18 S ATOM 630 CE MET A 62 22.868 39.351 104.721 1.00 20.84 C ATOM 631 H MET A 62 24.188 45.175 104.312 1.00 0.00 H ATOM 632 N ASP A 63 27.465 42.816 104.836 1.00 14.08 N ATOM 633 CA ASP A 63 28.835 42.868 104.329 1.00 14.30 C ATOM 634 C ASP A 63 29.401 41.478 104.585 1.00 14.97 C ATOM 635 O ASP A 63 29.663 41.112 105.735 1.00 18.14 O ATOM 636 CB ASP A 63 29.618 43.967 105.030 1.00 15.58 C ATOM 637 CG ASP A 63 31.005 44.139 104.464 1.00 22.15 C ATOM 638 OD1 ASP A 63 31.464 43.188 103.813 1.00 18.49 O ATOM 639 OD2 ASP A 63 31.625 45.204 104.695 1.00 22.02 O ATOM 640 H ASP A 63 27.262 42.188 105.639 1.00 0.00 H ATOM 641 N PHE A 64 29.553 40.681 103.523 1.00 16.07 N ATOM 642 CA PHE A 64 29.890 39.271 103.697 1.00 18.38 C ATOM 643 C PHE A 64 30.621 38.738 102.468 1.00 17.60 C ATOM 644 O PHE A 64 30.712 39.391 101.428 1.00 17.76 O ATOM 645 CB PHE A 64 28.614 38.454 103.949 1.00 23.27 C ATOM 646 CG PHE A 64 27.593 38.598 102.845 1.00 17.70 C ATOM 647 CD1 PHE A 64 27.631 37.756 101.748 1.00 17.49 C ATOM 648 CD2 PHE A 64 26.617 39.591 102.886 1.00 18.21 C ATOM 649 CE1 PHE A 64 26.724 37.893 100.696 1.00 20.15 C ATOM 650 CE2 PHE A 64 25.715 39.731 101.839 1.00 17.54 C ATOM 651 CZ PHE A 64 25.774 38.872 100.739 1.00 14.36 C ATOM 652 H PHE A 64 29.430 41.068 102.566 1.00 0.00 H ATOM 653 N GLN A 65 31.079 37.500 102.592 1.00 18.68 N ATOM 654 CA GLN A 65 31.703 36.768 101.505 1.00 17.77 C ATOM 655 C GLN A 65 30.783 35.642 101.065 1.00 17.80 C ATOM 656 O GLN A 65 30.350 34.840 101.889 1.00 18.81 O ATOM 657 CB GLN A 65 33.052 36.184 101.950 1.00 21.68 C ATOM 658 CG GLN A 65 33.841 35.581 100.803 1.00 30.81 C ATOM 659 CD GLN A 65 34.604 36.629 100.036 1.00 28.36 C ATOM 660 OE1 GLN A 65 34.510 37.824 100.332 1.00 21.71 O ATOM 661 NE2 GLN A 65 35.392 36.191 99.062 1.00 44.73 N ATOM 662 HE22 GLN A 65 35.439 35.174 98.848 1.00 0.00 H ATOM 663 HE21 GLN A 65 35.963 36.865 98.512 1.00 0.00 H ATOM 664 H GLN A 65 30.986 37.030 103.515 1.00 0.00 H ATOM 665 N VAL A 66 30.470 35.580 99.775 1.00 19.34 N ATOM 666 CA VAL A 66 29.630 34.484 99.302 1.00 19.83 C ATOM 667 C VAL A 66 30.266 33.148 99.662 1.00 22.39 C ATOM 668 O VAL A 66 31.495 32.962 99.565 1.00 24.78 O ATOM 669 CB VAL A 66 29.396 34.602 97.788 1.00 22.55 C ATOM 670 CG1 VAL A 66 28.611 33.417 97.272 1.00 33.62 C ATOM 671 CG2 VAL A 66 28.647 35.883 97.448 1.00 21.07 C ATOM 672 H VAL A 66 30.818 36.302 99.112 1.00 0.00 H ATOM 673 N GLY A 67 29.435 32.230 100.141 1.00 26.55 N ATOM 674 CA GLY A 67 29.868 30.900 100.496 1.00 34.07 C ATOM 675 C GLY A 67 30.392 30.726 101.907 1.00 34.72 C ATOM 676 O GLY A 67 30.725 29.595 102.280 1.00 41.33 O ATOM 677 H GLY A 67 28.433 32.479 100.265 1.00 0.00 H ATOM 678 N LYS A 68 30.468 31.788 102.707 1.00 33.29 N ATOM 679 CA LYS A 68 31.069 31.725 104.037 1.00 33.92 C ATOM 680 C LYS A 68 30.056 32.107 105.107 1.00 31.44 C ATOM 681 O LYS A 68 29.586 33.247 105.138 1.00 29.82 O ATOM 682 CB LYS A 68 32.288 32.645 104.112 1.00 33.90 C ATOM 683 CG LYS A 68 33.301 32.360 103.015 1.00 40.99 C ATOM 684 CD LYS A 68 34.731 32.564 103.487 1.00 55.18 C ATOM 685 CE LYS A 68 35.701 31.718 102.670 1.00 63.09 C ATOM 686 NZ LYS A 68 37.101 31.792 103.186 1.00 66.09 N ATOM 687 HZ1 LYS A 68 37.430 32.778 103.153 1.00 0.00 H ATOM 688 HZ2 LYS A 68 37.126 31.450 104.168 1.00 0.00 H ATOM 689 HZ3 LYS A 68 37.719 31.199 102.595 1.00 0.00 H ATOM 690 H LYS A 68 30.085 32.695 102.373 1.00 0.00 H ATOM 691 N GLU A 69 29.738 31.161 105.994 1.00 26.49 N ATOM 692 CA GLU A 69 28.834 31.452 107.098 1.00 25.29 C ATOM 693 C GLU A 69 29.381 32.590 107.952 1.00 24.88 C ATOM 694 O GLU A 69 30.590 32.669 108.205 1.00 25.54 O ATOM 695 CB GLU A 69 28.634 30.201 107.959 1.00 27.70 C ATOM 696 CG GLU A 69 27.597 30.381 109.056 1.00 28.71 C ATOM 697 CD GLU A 69 27.280 29.086 109.802 1.00 26.44 C ATOM 698 OE1 GLU A 69 28.085 28.664 110.655 1.00 29.33 O ATOM 699 OE2 GLU A 69 26.215 28.491 109.536 1.00 35.12 O ATOM 700 H GLU A 69 30.140 30.207 105.895 1.00 0.00 H ATOM 701 N PHE A 70 28.482 33.460 108.418 1.00 24.22 N ATOM 702 CA PHE A 70 28.856 34.553 109.310 1.00 25.62 C ATOM 703 C PHE A 70 27.731 34.826 110.295 1.00 26.36 C ATOM 704 O PHE A 70 26.587 34.424 110.089 1.00 23.85 O ATOM 705 CB PHE A 70 29.186 35.827 108.521 1.00 23.40 C ATOM 706 CG PHE A 70 28.021 36.382 107.734 1.00 19.87 C ATOM 707 CD1 PHE A 70 27.670 35.828 106.506 1.00 17.84 C ATOM 708 CD2 PHE A 70 27.317 37.478 108.194 1.00 23.46 C ATOM 709 CE1 PHE A 70 26.608 36.319 105.775 1.00 23.03 C ATOM 710 CE2 PHE A 70 26.241 37.984 107.457 1.00 19.76 C ATOM 711 CZ PHE A 70 25.888 37.397 106.259 1.00 19.87 C ATOM 712 H PHE A 70 27.486 33.356 108.137 1.00 0.00 H ATOM 713 N GLU A 71 28.070 35.542 111.362 1.00 22.43 N ATOM 714 CA GLU A 71 27.097 35.955 112.358 1.00 22.12 C ATOM 715 C GLU A 71 26.446 37.265 111.932 1.00 28.11 C ATOM 716 O GLU A 71 27.114 38.304 111.826 1.00 26.92 O ATOM 717 CB GLU A 71 27.774 36.115 113.708 1.00 23.18 C ATOM 718 CG GLU A 71 26.825 36.268 114.857 1.00 25.74 C ATOM 719 CD GLU A 71 27.561 36.435 116.165 1.00 34.05 C ATOM 720 OE1 GLU A 71 28.720 35.998 116.232 1.00 31.23 O ATOM 721 OE2 GLU A 71 26.995 37.031 117.105 1.00 39.63 O ATOM 722 H GLU A 71 29.065 35.816 111.488 1.00 0.00 H ATOM 723 N GLU A 72 25.146 37.214 111.701 1.00 23.53 N ATOM 724 CA GLU A 72 24.364 38.370 111.303 1.00 20.53 C ATOM 725 C GLU A 72 23.585 38.894 112.506 1.00 21.69 C ATOM 726 O GLU A 72 22.751 38.172 113.059 1.00 22.03 O ATOM 727 CB GLU A 72 23.425 37.956 110.163 1.00 17.34 C ATOM 728 CG GLU A 72 22.619 39.088 109.552 1.00 18.12 C ATOM 729 CD GLU A 72 21.749 38.658 108.371 1.00 17.28 C ATOM 730 OE1 GLU A 72 21.524 37.451 108.137 1.00 19.19 O ATOM 731 OE2 GLU A 72 21.272 39.558 107.664 1.00 16.69 O ATOM 732 H GLU A 72 24.660 36.301 111.810 1.00 0.00 H ATOM 733 N ASP A 73 23.832 40.153 112.892 1.00 23.63 N ATOM 734 CA ASP A 73 23.123 40.813 113.999 1.00 25.41 C ATOM 735 C ASP A 73 21.891 41.536 113.452 1.00 24.65 C ATOM 736 O ASP A 73 21.994 42.640 112.902 1.00 26.33 O ATOM 737 CB ASP A 73 24.038 41.791 114.736 1.00 30.64 C ATOM 738 CG ASP A 73 23.328 42.556 115.869 1.00 44.08 C ATOM 739 OD1 ASP A 73 22.119 42.349 116.123 1.00 32.27 O ATOM 740 OD2 ASP A 73 23.996 43.379 116.533 1.00 60.47 O ATOM 741 H ASP A 73 24.562 40.691 112.383 1.00 0.00 H ATOM 742 N LEU A 74 20.715 40.949 113.674 1.00 23.92 N ATOM 743 CA LEU A 74 19.422 41.522 113.285 1.00 24.48 C ATOM 744 C LEU A 74 18.606 42.013 114.492 1.00 41.80 C ATOM 745 O LEU A 74 17.372 42.078 114.419 1.00 31.74 O ATOM 746 CB LEU A 74 18.627 40.475 112.495 1.00 18.57 C ATOM 747 CG LEU A 74 19.362 39.841 111.309 1.00 17.65 C ATOM 748 CD1 LEU A 74 19.327 38.319 111.309 1.00 22.89 C ATOM 749 CD2 LEU A 74 18.820 40.367 109.983 1.00 23.20 C ATOM 750 H LEU A 74 20.714 40.026 114.153 1.00 0.00 H ATOM 751 N THR A 75 19.256 42.361 115.615 1.00 35.14 N ATOM 752 CA THR A 75 18.487 42.656 116.829 1.00 47.84 C ATOM 753 C THR A 75 17.646 43.932 116.706 1.00 40.02 C ATOM 754 O THR A 75 16.645 44.067 117.434 1.00 29.93 O ATOM 755 CB THR A 75 19.419 42.757 118.053 1.00 50.99 C ATOM 756 OG1 THR A 75 20.452 43.723 117.813 1.00 48.92 O ATOM 757 CG2 THR A 75 20.054 41.400 118.364 1.00 38.71 C ATOM 758 HG1 THR A 75 20.982 43.448 117.024 1.00 0.00 H ATOM 759 H THR A 75 20.294 42.421 115.624 1.00 0.00 H ATOM 760 N GLY A 76 18.025 44.856 115.810 1.00 47.63 N ATOM 761 CA GLY A 76 17.227 46.041 115.534 1.00 46.20 C ATOM 762 C GLY A 76 15.990 45.760 114.705 1.00 47.27 C ATOM 763 O GLY A 76 15.058 46.573 114.684 1.00 36.54 O ATOM 764 H GLY A 76 18.919 44.721 115.296 1.00 0.00 H ATOM 765 N ILE A 77 15.961 44.627 114.018 1.00 30.80 N ATOM 766 CA ILE A 77 14.783 44.213 113.269 1.00 29.95 C ATOM 767 C ILE A 77 13.894 43.389 114.199 1.00 30.45 C ATOM 768 O ILE A 77 12.787 43.822 114.538 1.00 38.34 O ATOM 769 CB ILE A 77 15.208 43.475 111.977 1.00 28.87 C ATOM 770 CG1 ILE A 77 16.019 44.417 111.086 1.00 32.01 C ATOM 771 CG2 ILE A 77 13.996 42.964 111.212 1.00 34.49 C ATOM 772 CD1 ILE A 77 16.814 43.720 110.012 1.00 39.20 C ATOM 773 H ILE A 77 16.803 44.017 114.014 1.00 0.00 H ATOM 774 N ASP A 78 14.374 42.228 114.687 1.00 37.72 N ATOM 775 CA ASP A 78 13.517 41.341 115.476 1.00 35.76 C ATOM 776 C ASP A 78 14.112 40.870 116.803 1.00 36.20 C ATOM 777 O ASP A 78 13.574 39.928 117.410 1.00 28.10 O ATOM 778 CB ASP A 78 13.129 40.111 114.653 1.00 28.61 C ATOM 779 CG ASP A 78 14.327 39.275 114.241 1.00 19.76 C ATOM 780 OD1 ASP A 78 15.361 39.836 113.846 1.00 27.28 O ATOM 781 OD2 ASP A 78 14.201 38.033 114.288 1.00 26.60 O ATOM 782 H ASP A 78 15.362 41.960 114.502 1.00 0.00 H ATOM 783 N ASP A 79 15.182 41.500 117.282 1.00 33.61 N ATOM 784 CA ASP A 79 15.807 41.135 118.559 1.00 42.34 C ATOM 785 C ASP A 79 16.418 39.736 118.488 1.00 42.02 C ATOM 786 O ASP A 79 16.372 38.974 119.458 1.00 30.89 O ATOM 787 CB ASP A 79 14.815 41.228 119.727 1.00 46.19 C ATOM 788 CG ASP A 79 14.480 42.654 120.095 1.00 59.81 C ATOM 789 OD1 ASP A 79 15.030 43.135 121.107 1.00 66.53 O ATOM 790 OD2 ASP A 79 13.678 43.292 119.374 1.00 63.06 O ATOM 791 H ASP A 79 15.591 42.281 116.730 1.00 0.00 H ATOM 792 N ARG A 80 16.988 39.395 117.330 1.00 52.83 N ATOM 793 CA ARG A 80 17.600 38.091 117.123 1.00 46.35 C ATOM 794 C ARG A 80 18.864 38.258 116.296 1.00 24.48 C ATOM 795 O ARG A 80 19.046 39.258 115.595 1.00 22.66 O ATOM 796 CB ARG A 80 16.649 37.103 116.425 1.00 26.87 C ATOM 797 CG ARG A 80 15.403 36.802 117.218 1.00 36.25 C ATOM 798 CD ARG A 80 14.697 35.557 116.701 1.00 26.09 C ATOM 799 NE ARG A 80 13.466 35.280 117.426 1.00 24.71 N ATOM 800 CZ ARG A 80 12.296 35.832 117.134 1.00 20.39 C ATOM 801 NH1 ARG A 80 12.215 36.694 116.115 1.00 24.83 N ATOM 802 NH2 ARG A 80 11.217 35.518 117.829 1.00 26.23 N ATOM 803 HE ARG A 80 13.506 34.610 118.220 1.00 0.00 H ATOM 804 HH12 ARG A 80 11.303 37.133 115.877 1.00 0.00 H ATOM 805 HH11 ARG A 80 13.064 36.925 115.561 1.00 0.00 H ATOM 806 HH22 ARG A 80 10.302 35.954 117.595 1.00 0.00 H ATOM 807 HH21 ARG A 80 11.282 34.834 118.610 1.00 0.00 H ATOM 808 H ARG A 80 16.995 40.084 116.551 1.00 0.00 H ATOM 809 N LYS A 81 19.752 37.267 116.428 1.00 26.37 N ATOM 810 CA LYS A 81 20.951 37.097 115.620 1.00 22.30 C ATOM 811 C LYS A 81 20.911 35.721 114.960 1.00 29.36 C ATOM 812 O LYS A 81 20.283 34.793 115.481 1.00 25.07 O ATOM 813 CB LYS A 81 22.239 37.231 116.465 1.00 26.80 C ATOM 814 CG LYS A 81 22.333 38.549 117.246 1.00 35.32 C ATOM 815 CD LYS A 81 23.564 38.615 118.160 1.00 44.77 C ATOM 816 CE LYS A 81 23.452 39.777 119.150 1.00 44.09 C ATOM 817 NZ LYS A 81 24.568 39.817 120.159 1.00 40.70 N ATOM 818 HZ1 LYS A 81 24.566 38.936 120.711 1.00 0.00 H ATOM 819 HZ2 LYS A 81 25.478 39.916 119.664 1.00 0.00 H ATOM 820 HZ3 LYS A 81 24.429 40.627 120.796 1.00 0.00 H ATOM 821 H LYS A 81 19.571 36.560 117.169 1.00 0.00 H ATOM 822 N CYS A 82 21.559 35.592 113.794 1.00 24.71 N ATOM 823 CA CYS A 82 21.566 34.342 113.040 1.00 23.96 C ATOM 824 C CYS A 82 22.969 34.018 112.556 1.00 23.09 C ATOM 825 O CYS A 82 23.852 34.874 112.517 1.00 25.61 O ATOM 826 CB CYS A 82 20.625 34.378 111.810 1.00 19.86 C ATOM 827 SG CYS A 82 18.906 34.608 112.187 1.00 21.59 S ATOM 828 H CYS A 82 22.075 36.411 113.413 1.00 0.00 H ATOM 829 N MET A 83 23.175 32.748 112.214 1.00 22.80 N ATOM 830 CA MET A 83 24.380 32.301 111.521 1.00 22.18 C ATOM 831 C MET A 83 24.003 32.122 110.057 1.00 26.65 C ATOM 832 O MET A 83 23.249 31.211 109.706 1.00 24.10 O ATOM 833 CB MET A 83 24.920 31.001 112.103 1.00 25.05 C ATOM 834 CG MET A 83 25.377 31.126 113.551 1.00 22.34 C ATOM 835 SD MET A 83 26.610 32.410 113.802 1.00 25.99 S ATOM 836 CE MET A 83 28.011 31.635 112.985 1.00 25.20 C ATOM 837 H MET A 83 22.447 32.044 112.450 1.00 0.00 H ATOM 838 N THR A 84 24.514 32.998 109.213 1.00 19.42 N ATOM 839 CA THR A 84 23.969 33.199 107.883 1.00 17.20 C ATOM 840 C THR A 84 24.978 32.784 106.826 1.00 21.05 C ATOM 841 O THR A 84 26.187 33.006 106.976 1.00 20.03 O ATOM 842 CB THR A 84 23.558 34.655 107.708 1.00 17.41 C ATOM 843 OG1 THR A 84 22.520 34.967 108.643 1.00 21.09 O ATOM 844 CG2 THR A 84 23.089 34.943 106.268 1.00 20.68 C ATOM 845 HG1 THR A 84 22.251 35.913 108.532 1.00 0.00 H ATOM 846 H THR A 84 25.335 33.563 109.511 1.00 0.00 H ATOM 847 N THR A 85 24.472 32.165 105.761 1.00 21.83 N ATOM 848 CA THR A 85 25.266 31.840 104.587 1.00 26.09 C ATOM 849 C THR A 85 24.531 32.301 103.333 1.00 25.68 C ATOM 850 O THR A 85 23.330 32.044 103.187 1.00 20.67 O ATOM 851 CB THR A 85 25.538 30.346 104.512 1.00 28.02 C ATOM 852 OG1 THR A 85 26.154 29.906 105.726 1.00 25.06 O ATOM 853 CG2 THR A 85 26.450 30.043 103.349 1.00 23.65 C ATOM 854 HG1 THR A 85 26.329 28.933 105.672 1.00 0.00 H ATOM 855 H THR A 85 23.466 31.903 105.769 1.00 0.00 H ATOM 856 N VAL A 86 25.256 32.980 102.440 1.00 19.58 N ATOM 857 CA VAL A 86 24.742 33.442 101.152 1.00 20.94 C ATOM 858 C VAL A 86 25.503 32.689 100.068 1.00 30.59 C ATOM 859 O VAL A 86 26.741 32.671 100.072 1.00 22.06 O ATOM 860 CB VAL A 86 24.896 34.967 100.994 1.00 20.29 C ATOM 861 CG1 VAL A 86 24.381 35.436 99.624 1.00 19.98 C ATOM 862 CG2 VAL A 86 24.192 35.697 102.121 1.00 18.67 C ATOM 863 H VAL A 86 26.246 33.193 102.675 1.00 0.00 H ATOM 864 N SER A 87 24.771 32.050 99.153 1.00 20.18 N ATOM 865 CA SER A 87 25.369 31.174 98.156 1.00 22.18 C ATOM 866 C SER A 87 24.758 31.454 96.793 1.00 26.43 C ATOM 867 O SER A 87 23.616 31.908 96.690 1.00 21.20 O ATOM 868 CB SER A 87 25.169 29.694 98.517 1.00 24.26 C ATOM 869 OG SER A 87 25.843 29.374 99.728 1.00 29.10 O ATOM 870 HG SER A 87 25.484 29.933 100.462 1.00 0.00 H ATOM 871 H SER A 87 23.739 32.182 99.152 1.00 0.00 H ATOM 872 N TRP A 88 25.528 31.168 95.750 1.00 23.57 N ATOM 873 CA TRP A 88 25.019 31.264 94.394 1.00 32.61 C ATOM 874 C TRP A 88 24.230 30.005 94.069 1.00 33.66 C ATOM 875 O TRP A 88 24.645 28.890 94.398 1.00 28.43 O ATOM 876 CB TRP A 88 26.154 31.451 93.380 1.00 37.11 C ATOM 877 CG TRP A 88 26.689 32.848 93.331 1.00 32.54 C ATOM 878 CD1 TRP A 88 27.902 33.279 93.783 1.00 33.56 C ATOM 879 CD2 TRP A 88 26.021 34.005 92.811 1.00 27.04 C ATOM 880 NE1 TRP A 88 28.033 34.631 93.573 1.00 33.56 N ATOM 881 CE2 TRP A 88 26.888 35.100 92.982 1.00 34.47 C ATOM 882 CE3 TRP A 88 24.779 34.220 92.205 1.00 30.08 C ATOM 883 CZ2 TRP A 88 26.549 36.384 92.575 1.00 23.99 C ATOM 884 CZ3 TRP A 88 24.449 35.501 91.809 1.00 27.71 C ATOM 885 CH2 TRP A 88 25.328 36.561 91.993 1.00 26.59 C ATOM 886 HE1 TRP A 88 28.864 35.204 93.822 1.00 0.00 H ATOM 887 H TRP A 88 26.512 30.870 95.907 1.00 0.00 H ATOM 888 N ASP A 89 23.074 30.198 93.434 1.00 30.21 N ATOM 889 CA ASP A 89 22.182 29.109 93.041 1.00 26.63 C ATOM 890 C ASP A 89 21.759 29.463 91.619 1.00 26.03 C ATOM 891 O ASP A 89 20.725 30.105 91.411 1.00 30.34 O ATOM 892 CB ASP A 89 20.992 28.994 93.987 1.00 30.11 C ATOM 893 CG ASP A 89 20.048 27.869 93.618 1.00 37.69 C ATOM 894 OD1 ASP A 89 20.412 26.993 92.799 1.00 35.09 O ATOM 895 OD2 ASP A 89 18.923 27.872 94.165 1.00 40.42 O ATOM 896 H ASP A 89 22.793 31.173 93.207 1.00 0.00 H ATOM 897 N GLY A 90 22.573 29.061 90.649 1.00 33.45 N ATOM 898 CA GLY A 90 22.347 29.526 89.290 1.00 33.39 C ATOM 899 C GLY A 90 22.586 31.022 89.224 1.00 31.13 C ATOM 900 O GLY A 90 23.608 31.524 89.710 1.00 28.25 O ATOM 901 H GLY A 90 23.364 28.420 90.860 1.00 0.00 H ATOM 902 N ASP A 91 21.624 31.748 88.651 1.00 33.62 N ATOM 903 CA ASP A 91 21.658 33.204 88.589 1.00 33.84 C ATOM 904 C ASP A 91 20.994 33.847 89.803 1.00 29.46 C ATOM 905 O ASP A 91 20.810 35.066 89.824 1.00 28.72 O ATOM 906 CB ASP A 91 20.962 33.708 87.319 1.00 36.70 C ATOM 907 CG ASP A 91 21.743 33.405 86.050 1.00 43.17 C ATOM 908 OD1 ASP A 91 22.909 32.992 86.150 1.00 35.43 O ATOM 909 OD2 ASP A 91 21.182 33.598 84.950 1.00 38.47 O ATOM 910 H ASP A 91 20.813 31.252 88.229 1.00 0.00 H ATOM 911 N LYS A 92 20.628 33.062 90.807 1.00 25.53 N ATOM 912 CA LYS A 92 20.024 33.581 92.021 1.00 25.60 C ATOM 913 C LYS A 92 21.023 33.552 93.171 1.00 24.45 C ATOM 914 O LYS A 92 21.975 32.765 93.183 1.00 23.35 O ATOM 915 CB LYS A 92 18.775 32.778 92.392 1.00 27.60 C ATOM 916 CG LYS A 92 17.781 32.680 91.240 1.00 35.45 C ATOM 917 CD LYS A 92 16.382 32.336 91.699 1.00 45.24 C ATOM 918 CE LYS A 92 15.428 32.235 90.505 1.00 50.50 C ATOM 919 NZ LYS A 92 13.989 32.200 90.907 1.00 52.92 N ATOM 920 HZ1 LYS A 92 13.821 31.374 91.517 1.00 0.00 H ATOM 921 HZ2 LYS A 92 13.754 33.070 91.426 1.00 0.00 H ATOM 922 HZ3 LYS A 92 13.394 32.131 90.057 1.00 0.00 H ATOM 923 H LYS A 92 20.779 32.037 90.722 1.00 0.00 H ATOM 924 N LEU A 93 20.794 34.426 94.137 1.00 23.51 N ATOM 925 CA LEU A 93 21.549 34.467 95.378 1.00 21.26 C ATOM 926 C LEU A 93 20.612 33.970 96.479 1.00 19.87 C ATOM 927 O LEU A 93 19.522 34.526 96.653 1.00 23.01 O ATOM 928 CB LEU A 93 22.027 35.893 95.633 1.00 19.22 C ATOM 929 CG LEU A 93 23.239 36.204 96.480 1.00 33.45 C ATOM 930 CD1 LEU A 93 24.461 35.700 95.774 1.00 23.71 C ATOM 931 CD2 LEU A 93 23.309 37.705 96.684 1.00 38.65 C ATOM 932 H LEU A 93 20.033 35.121 94.001 1.00 0.00 H ATOM 933 N GLN A 94 21.013 32.901 97.169 1.00 16.22 N ATOM 934 CA GLN A 94 20.228 32.249 98.209 1.00 16.67 C ATOM 935 C GLN A 94 20.854 32.515 99.565 1.00 25.81 C ATOM 936 O GLN A 94 22.045 32.276 99.757 1.00 26.34 O ATOM 937 CB GLN A 94 20.173 30.735 98.009 1.00 27.73 C ATOM 938 CG GLN A 94 19.573 30.287 96.712 1.00 31.57 C ATOM 939 CD GLN A 94 18.070 30.341 96.747 1.00 28.80 C ATOM 940 OE1 GLN A 94 17.490 30.868 97.695 1.00 24.29 O ATOM 941 NE2 GLN A 94 17.428 29.798 95.714 1.00 35.86 N ATOM 942 HE22 GLN A 94 17.966 29.364 94.937 1.00 0.00 H ATOM 943 HE21 GLN A 94 16.388 29.808 95.685 1.00 0.00 H ATOM 944 H GLN A 94 21.950 32.506 96.950 1.00 0.00 H ATOM 945 N CYS A 95 20.051 32.946 100.517 1.00 17.94 N ATOM 946 CA CYS A 95 20.544 33.227 101.853 1.00 18.57 C ATOM 947 C CYS A 95 19.768 32.383 102.854 1.00 24.89 C ATOM 948 O CYS A 95 18.531 32.362 102.821 1.00 21.02 O ATOM 949 CB CYS A 95 20.420 34.709 102.148 1.00 18.42 C ATOM 950 SG CYS A 95 20.752 35.088 103.868 1.00 20.25 S ATOM 951 H CYS A 95 19.042 33.088 100.307 1.00 0.00 H ATOM 952 N VAL A 96 20.492 31.656 103.705 1.00 25.42 N ATOM 953 CA VAL A 96 19.912 30.860 104.784 1.00 24.44 C ATOM 954 C VAL A 96 20.367 31.475 106.100 1.00 16.87 C ATOM 955 O VAL A 96 21.575 31.641 106.320 1.00 22.58 O ATOM 956 CB VAL A 96 20.349 29.391 104.700 1.00 21.06 C ATOM 957 CG1 VAL A 96 19.760 28.574 105.860 1.00 28.22 C ATOM 958 CG2 VAL A 96 19.954 28.801 103.376 1.00 22.14 C ATOM 959 H VAL A 96 21.526 31.655 103.595 1.00 0.00 H ATOM 960 N GLN A 97 19.412 31.834 106.968 1.00 20.52 N ATOM 961 CA GLN A 97 19.698 32.491 108.244 1.00 16.43 C ATOM 962 C GLN A 97 19.342 31.492 109.341 1.00 22.69 C ATOM 963 O GLN A 97 18.168 31.329 109.694 1.00 26.58 O ATOM 964 CB GLN A 97 18.920 33.801 108.383 1.00 18.44 C ATOM 965 CG GLN A 97 19.280 34.850 107.336 1.00 19.22 C ATOM 966 CD GLN A 97 18.241 35.952 107.237 1.00 19.57 C ATOM 967 OE1 GLN A 97 17.029 35.693 107.041 1.00 17.05 O ATOM 968 NE2 GLN A 97 18.691 37.182 107.387 1.00 17.68 N ATOM 969 HE22 GLN A 97 19.705 37.349 107.548 1.00 0.00 H ATOM 970 HE21 GLN A 97 18.032 37.986 107.345 1.00 0.00 H ATOM 971 H GLN A 97 18.421 31.637 106.724 1.00 0.00 H ATOM 972 N LYS A 98 20.348 30.785 109.832 1.00 21.33 N ATOM 973 CA LYS A 98 20.129 29.791 110.878 1.00 23.40 C ATOM 974 C LYS A 98 19.970 30.460 112.235 1.00 29.17 C ATOM 975 O LYS A 98 20.721 31.374 112.576 1.00 26.98 O ATOM 976 CB LYS A 98 21.290 28.809 110.901 1.00 25.26 C ATOM 977 CG LYS A 98 21.441 28.050 109.577 1.00 33.97 C ATOM 978 CD LYS A 98 22.408 26.876 109.672 1.00 45.18 C ATOM 979 CE LYS A 98 21.913 25.789 110.627 1.00 56.68 C ATOM 980 NZ LYS A 98 22.950 25.328 111.589 1.00 61.83 N ATOM 981 HZ1 LYS A 98 23.759 24.938 111.064 1.00 0.00 H ATOM 982 HZ2 LYS A 98 23.266 26.132 112.168 1.00 0.00 H ATOM 983 HZ3 LYS A 98 22.548 24.593 112.205 1.00 0.00 H ATOM 984 H LYS A 98 21.309 30.940 109.467 1.00 0.00 H ATOM 985 N GLY A 99 19.004 29.985 113.018 1.00 25.05 N ATOM 986 CA GLY A 99 18.730 30.602 114.304 1.00 30.06 C ATOM 987 C GLY A 99 17.471 30.039 114.926 1.00 23.22 C ATOM 988 O GLY A 99 17.044 28.930 114.606 1.00 23.05 O ATOM 989 H GLY A 99 18.442 29.167 112.707 1.00 0.00 H ATOM 990 N GLU A 100 16.875 30.834 115.816 1.00 26.24 N ATOM 991 CA GLU A 100 15.740 30.344 116.585 1.00 27.85 C ATOM 992 C GLU A 100 14.578 29.993 115.662 1.00 22.23 C ATOM 993 O GLU A 100 13.932 28.949 115.836 1.00 22.01 O ATOM 994 CB GLU A 100 15.334 31.391 117.628 1.00 26.68 C ATOM 995 CG GLU A 100 14.392 30.871 118.696 1.00 22.57 C ATOM 996 CD GLU A 100 13.729 31.965 119.492 1.00 22.45 C ATOM 997 OE1 GLU A 100 12.912 31.623 120.394 1.00 23.40 O ATOM 998 OE2 GLU A 100 14.013 33.153 119.216 1.00 23.90 O ATOM 999 H GLU A 100 17.221 31.804 115.961 1.00 0.00 H ATOM 1000 N LYS A 101 14.332 30.831 114.649 1.00 27.75 N ATOM 1001 CA LYS A 101 13.201 30.666 113.736 1.00 23.49 C ATOM 1002 C LYS A 101 13.478 29.643 112.639 1.00 25.85 C ATOM 1003 O LYS A 101 14.564 29.605 112.069 1.00 23.14 O ATOM 1004 CB LYS A 101 12.849 32.010 113.086 1.00 22.15 C ATOM 1005 CG LYS A 101 12.216 33.007 114.020 1.00 25.43 C ATOM 1006 CD LYS A 101 10.768 32.616 114.349 1.00 28.93 C ATOM 1007 CE LYS A 101 10.207 33.468 115.469 1.00 30.28 C ATOM 1008 NZ LYS A 101 8.771 33.161 115.716 1.00 37.37 N ATOM 1009 HZ1 LYS A 101 8.224 33.348 114.852 1.00 0.00 H ATOM 1010 HZ2 LYS A 101 8.672 32.160 115.980 1.00 0.00 H ATOM 1011 HZ3 LYS A 101 8.417 33.761 116.488 1.00 0.00 H ATOM 1012 H LYS A 101 14.974 31.636 114.504 1.00 0.00 H ATOM 1013 N GLU A 102 12.467 28.832 112.314 1.00 25.04 N ATOM 1014 CA GLU A 102 12.596 27.852 111.242 1.00 29.21 C ATOM 1015 C GLU A 102 12.427 28.504 109.870 1.00 22.70 C ATOM 1016 O GLU A 102 11.614 29.422 109.691 1.00 25.81 O ATOM 1017 CB GLU A 102 11.565 26.727 111.419 1.00 34.07 C ATOM 1018 CG GLU A 102 11.646 25.625 110.370 1.00 29.02 C ATOM 1019 CD GLU A 102 10.832 25.907 109.119 1.00 45.52 C ATOM 1020 OE1 GLU A 102 9.738 26.509 109.231 1.00 51.07 O ATOM 1021 OE2 GLU A 102 11.286 25.520 108.016 1.00 48.30 O ATOM 1022 H GLU A 102 11.570 28.901 112.836 1.00 0.00 H ATOM 1023 N GLY A 103 13.211 28.019 108.911 1.00 19.64 N ATOM 1024 CA GLY A 103 13.067 28.355 107.502 1.00 20.11 C ATOM 1025 C GLY A 103 13.288 29.814 107.178 1.00 21.68 C ATOM 1026 O GLY A 103 12.596 30.369 106.313 1.00 21.73 O ATOM 1027 H GLY A 103 13.970 27.362 109.183 1.00 0.00 H ATOM 1028 N ARG A 104 14.225 30.451 107.861 1.00 21.98 N ATOM 1029 CA ARG A 104 14.477 31.878 107.699 1.00 16.28 C ATOM 1030 C ARG A 104 15.520 32.104 106.617 1.00 19.24 C ATOM 1031 O ARG A 104 16.625 31.553 106.693 1.00 20.82 O ATOM 1032 CB ARG A 104 14.978 32.474 109.014 1.00 16.22 C ATOM 1033 CG ARG A 104 15.011 33.984 109.004 1.00 19.73 C ATOM 1034 CD ARG A 104 15.428 34.533 110.354 1.00 17.03 C ATOM 1035 NE ARG A 104 15.561 35.994 110.332 1.00 16.32 N ATOM 1036 CZ ARG A 104 15.548 36.762 111.427 1.00 16.95 C ATOM 1037 NH1 ARG A 104 15.378 36.240 112.635 1.00 21.03 N ATOM 1038 NH2 ARG A 104 15.643 38.067 111.314 1.00 19.97 N ATOM 1039 HE ARG A 104 15.672 36.461 109.409 1.00 0.00 H ATOM 1040 HH12 ARG A 104 15.371 36.857 113.472 1.00 0.00 H ATOM 1041 HH11 ARG A 104 15.251 35.214 112.745 1.00 0.00 H ATOM 1042 HH22 ARG A 104 15.633 38.665 112.165 1.00 0.00 H ATOM 1043 HH21 ARG A 104 15.728 38.503 110.374 1.00 0.00 H ATOM 1044 H ARG A 104 14.803 29.914 108.538 1.00 0.00 H ATOM 1045 N GLY A 105 15.191 32.938 105.639 1.00 20.95 N ATOM 1046 CA GLY A 105 16.163 33.268 104.615 1.00 20.40 C ATOM 1047 C GLY A 105 15.565 34.154 103.544 1.00 18.91 C ATOM 1048 O GLY A 105 14.472 34.717 103.699 1.00 17.69 O ATOM 1049 H GLY A 105 14.238 33.354 105.607 1.00 0.00 H ATOM 1050 N TRP A 106 16.300 34.275 102.446 1.00 14.23 N ATOM 1051 CA TRP A 106 15.807 35.070 101.330 1.00 18.13 C ATOM 1052 C TRP A 106 16.496 34.642 100.048 1.00 20.78 C ATOM 1053 O TRP A 106 17.480 33.896 100.052 1.00 17.63 O ATOM 1054 CB TRP A 106 15.957 36.575 101.568 1.00 17.66 C ATOM 1055 CG TRP A 106 17.332 37.099 101.994 1.00 15.90 C ATOM 1056 CD1 TRP A 106 17.712 37.482 103.271 1.00 15.95 C ATOM 1057 CD2 TRP A 106 18.485 37.325 101.163 1.00 15.07 C ATOM 1058 NE1 TRP A 106 19.009 37.934 103.266 1.00 19.07 N ATOM 1059 CE2 TRP A 106 19.510 37.838 101.999 1.00 15.98 C ATOM 1060 CE3 TRP A 106 18.757 37.141 99.805 1.00 18.98 C ATOM 1061 CZ2 TRP A 106 20.780 38.164 101.513 1.00 16.23 C ATOM 1062 CZ3 TRP A 106 20.009 37.474 99.330 1.00 15.86 C ATOM 1063 CH2 TRP A 106 20.996 37.987 100.177 1.00 16.15 C ATOM 1064 HE1 TRP A 106 19.527 38.292 104.094 1.00 0.00 H ATOM 1065 H TRP A 106 17.225 33.804 102.383 1.00 0.00 H ATOM 1066 N THR A 107 15.929 35.117 98.943 1.00 16.13 N ATOM 1067 CA THR A 107 16.391 34.814 97.602 1.00 16.50 C ATOM 1068 C THR A 107 16.364 36.100 96.789 1.00 16.05 C ATOM 1069 O THR A 107 15.359 36.821 96.800 1.00 14.76 O ATOM 1070 CB THR A 107 15.516 33.758 96.916 1.00 18.02 C ATOM 1071 OG1 THR A 107 15.365 32.614 97.765 1.00 20.99 O ATOM 1072 CG2 THR A 107 16.142 33.346 95.613 1.00 22.29 C ATOM 1073 HG1 THR A 107 16.256 32.225 97.954 1.00 0.00 H ATOM 1074 H THR A 107 15.105 35.743 99.047 1.00 0.00 H ATOM 1075 N GLN A 108 17.458 36.366 96.062 1.00 15.59 N ATOM 1076 CA GLN A 108 17.615 37.598 95.296 1.00 17.71 C ATOM 1077 C GLN A 108 18.037 37.284 93.868 1.00 19.22 C ATOM 1078 O GLN A 108 18.916 36.446 93.639 1.00 18.44 O ATOM 1079 CB GLN A 108 18.654 38.517 95.974 1.00 21.72 C ATOM 1080 CG GLN A 108 18.782 39.907 95.369 1.00 17.29 C ATOM 1081 CD GLN A 108 19.605 40.826 96.267 1.00 22.04 C ATOM 1082 OE1 GLN A 108 19.072 41.454 97.178 1.00 20.39 O ATOM 1083 NE2 GLN A 108 20.908 40.886 96.029 1.00 17.39 N ATOM 1084 HE22 GLN A 108 21.320 40.338 95.247 1.00 0.00 H ATOM 1085 HE21 GLN A 108 21.519 41.481 96.625 1.00 0.00 H ATOM 1086 H GLN A 108 18.227 35.666 96.043 1.00 0.00 H ATOM 1087 N TRP A 109 17.416 37.954 92.902 1.00 21.45 N ATOM 1088 CA TRP A 109 17.779 37.734 91.508 1.00 18.65 C ATOM 1089 C TRP A 109 17.456 39.002 90.727 1.00 22.37 C ATOM 1090 O TRP A 109 16.905 39.963 91.266 1.00 21.03 O ATOM 1091 CB TRP A 109 17.087 36.476 90.966 1.00 16.39 C ATOM 1092 CG TRP A 109 15.636 36.524 90.816 1.00 20.54 C ATOM 1093 CD1 TRP A 109 14.949 36.756 89.668 1.00 20.80 C ATOM 1094 CD2 TRP A 109 14.651 36.285 91.834 1.00 21.51 C ATOM 1095 NE1 TRP A 109 13.594 36.691 89.901 1.00 21.00 N ATOM 1096 CE2 TRP A 109 13.391 36.407 91.224 1.00 23.13 C ATOM 1097 CE3 TRP A 109 14.714 35.998 93.197 1.00 21.03 C ATOM 1098 CZ2 TRP A 109 12.206 36.249 91.928 1.00 21.23 C ATOM 1099 CZ3 TRP A 109 13.545 35.843 93.891 1.00 24.12 C ATOM 1100 CH2 TRP A 109 12.310 35.979 93.262 1.00 17.92 C ATOM 1101 HE1 TRP A 109 12.849 36.834 89.190 1.00 0.00 H ATOM 1102 H TRP A 109 16.669 38.637 93.142 1.00 0.00 H ATOM 1103 N ILE A 110 17.843 39.029 89.456 1.00 22.23 N ATOM 1104 CA ILE A 110 17.570 40.182 88.604 1.00 16.25 C ATOM 1105 C ILE A 110 16.709 39.719 87.446 1.00 18.44 C ATOM 1106 O ILE A 110 16.968 38.660 86.866 1.00 22.61 O ATOM 1107 CB ILE A 110 18.868 40.850 88.099 1.00 21.25 C ATOM 1108 CG1 ILE A 110 19.512 41.596 89.266 1.00 20.13 C ATOM 1109 CG2 ILE A 110 18.602 41.836 87.002 1.00 20.62 C ATOM 1110 CD1 ILE A 110 20.833 42.177 88.970 1.00 19.74 C ATOM 1111 H ILE A 110 18.351 38.212 89.060 1.00 0.00 H ATOM 1112 N GLU A 111 15.670 40.509 87.138 1.00 18.86 N ATOM 1113 CA GLU A 111 14.897 40.402 85.895 1.00 22.74 C ATOM 1114 C GLU A 111 14.950 41.767 85.217 1.00 25.07 C ATOM 1115 O GLU A 111 14.316 42.719 85.676 1.00 21.89 O ATOM 1116 CB GLU A 111 13.445 39.966 86.135 1.00 20.58 C ATOM 1117 CG GLU A 111 13.299 38.778 87.077 1.00 21.33 C ATOM 1118 CD GLU A 111 11.908 38.172 87.117 1.00 24.52 C ATOM 1119 OE1 GLU A 111 11.025 38.631 86.360 1.00 26.13 O ATOM 1120 OE2 GLU A 111 11.703 37.247 87.935 1.00 23.83 O ATOM 1121 H GLU A 111 15.395 41.243 87.822 1.00 0.00 H ATOM 1122 N GLY A 112 15.695 41.868 84.119 1.00 31.84 N ATOM 1123 CA GLY A 112 15.724 43.130 83.397 1.00 20.51 C ATOM 1124 C GLY A 112 16.271 44.222 84.289 1.00 22.28 C ATOM 1125 O GLY A 112 17.380 44.117 84.815 1.00 24.45 O ATOM 1126 H GLY A 112 16.249 41.055 83.782 1.00 0.00 H ATOM 1127 N ASP A 113 15.473 45.279 84.473 1.00 22.12 N ATOM 1128 CA ASP A 113 15.857 46.400 85.322 1.00 24.19 C ATOM 1129 C ASP A 113 15.336 46.250 86.745 1.00 18.76 C ATOM 1130 O ASP A 113 15.320 47.228 87.495 1.00 19.37 O ATOM 1131 CB ASP A 113 15.388 47.724 84.694 1.00 22.56 C ATOM 1132 CG ASP A 113 13.903 47.925 84.729 1.00 21.37 C ATOM 1133 OD1 ASP A 113 13.139 47.031 85.152 1.00 24.83 O ATOM 1134 OD2 ASP A 113 13.474 49.009 84.277 1.00 29.12 O ATOM 1135 H ASP A 113 14.549 45.302 83.995 1.00 0.00 H ATOM 1136 N GLU A 114 14.901 45.047 87.124 1.00 16.58 N ATOM 1137 CA GLU A 114 14.287 44.788 88.422 1.00 20.53 C ATOM 1138 C GLU A 114 15.189 43.892 89.265 1.00 18.14 C ATOM 1139 O GLU A 114 15.661 42.851 88.797 1.00 15.57 O ATOM 1140 CB GLU A 114 12.914 44.136 88.251 1.00 16.32 C ATOM 1141 CG GLU A 114 11.919 45.039 87.580 1.00 17.19 C ATOM 1142 CD GLU A 114 10.676 44.319 87.144 1.00 27.55 C ATOM 1143 OE1 GLU A 114 10.598 43.093 87.363 1.00 22.43 O ATOM 1144 OE2 GLU A 114 9.791 44.987 86.580 1.00 26.68 O ATOM 1145 H GLU A 114 15.005 44.253 86.460 1.00 0.00 H ATOM 1146 N LEU A 115 15.409 44.312 90.503 1.00 14.91 N ATOM 1147 CA LEU A 115 15.981 43.486 91.562 1.00 14.71 C ATOM 1148 C LEU A 115 14.828 42.866 92.353 1.00 19.03 C ATOM 1149 O LEU A 115 14.011 43.596 92.926 1.00 17.36 O ATOM 1150 CB LEU A 115 16.851 44.325 92.497 1.00 14.20 C ATOM 1151 CG LEU A 115 17.537 43.554 93.620 1.00 18.27 C ATOM 1152 CD1 LEU A 115 18.677 42.678 93.054 1.00 20.41 C ATOM 1153 CD2 LEU A 115 18.048 44.562 94.657 1.00 16.61 C ATOM 1154 H LEU A 115 15.158 45.294 90.735 1.00 0.00 H ATOM 1155 N HIS A 116 14.762 41.536 92.365 1.00 15.17 N ATOM 1156 CA HIS A 116 13.724 40.757 93.016 1.00 19.78 C ATOM 1157 C HIS A 116 14.286 40.162 94.286 1.00 21.21 C ATOM 1158 O HIS A 116 15.395 39.619 94.272 1.00 16.49 O ATOM 1159 CB HIS A 116 13.240 39.642 92.104 1.00 18.38 C ATOM 1160 CG HIS A 116 12.406 40.141 90.981 1.00 17.02 C ATOM 1161 ND1 HIS A 116 11.062 39.859 90.862 1.00 19.29 N ATOM 1162 CD2 HIS A 116 12.713 40.963 89.953 1.00 16.94 C ATOM 1163 CE1 HIS A 116 10.586 40.464 89.791 1.00 21.42 C ATOM 1164 NE2 HIS A 116 11.568 41.146 89.224 1.00 20.43 N ATOM 1165 H HIS A 116 15.513 41.014 91.869 1.00 0.00 H ATOM 1166 N LEU A 117 13.517 40.248 95.368 1.00 15.25 N ATOM 1167 CA LEU A 117 13.970 39.812 96.678 1.00 13.08 C ATOM 1168 C LEU A 117 12.785 39.155 97.351 1.00 14.09 C ATOM 1169 O LEU A 117 11.805 39.844 97.639 1.00 16.01 O ATOM 1170 CB LEU A 117 14.475 40.991 97.496 1.00 15.31 C ATOM 1171 CG LEU A 117 14.838 40.725 98.945 1.00 12.62 C ATOM 1172 CD1 LEU A 117 16.033 39.749 98.934 1.00 17.75 C ATOM 1173 CD2 LEU A 117 15.229 42.068 99.548 1.00 13.93 C ATOM 1174 H LEU A 117 12.559 40.641 95.273 1.00 0.00 H ATOM 1175 N GLU A 118 12.851 37.838 97.531 1.00 17.37 N ATOM 1176 CA GLU A 118 11.863 37.074 98.278 1.00 19.40 C ATOM 1177 C GLU A 118 12.455 36.701 99.626 1.00 19.33 C ATOM 1178 O GLU A 118 13.503 36.038 99.684 1.00 18.01 O ATOM 1179 CB GLU A 118 11.460 35.802 97.534 1.00 19.68 C ATOM 1180 CG GLU A 118 10.451 34.957 98.278 1.00 25.92 C ATOM 1181 CD GLU A 118 10.160 33.645 97.591 1.00 31.24 C ATOM 1182 OE1 GLU A 118 9.364 33.649 96.633 1.00 28.84 O ATOM 1183 OE2 GLU A 118 10.727 32.609 98.007 1.00 31.90 O ATOM 1184 H GLU A 118 13.654 37.326 97.114 1.00 0.00 H ATOM 1185 N MET A 119 11.805 37.129 100.710 1.00 14.70 N ATOM 1186 CA MET A 119 12.264 36.772 102.039 1.00 13.22 C ATOM 1187 C MET A 119 11.216 35.905 102.722 1.00 18.44 C ATOM 1188 O MET A 119 10.013 36.081 102.506 1.00 17.35 O ATOM 1189 CB MET A 119 12.578 38.012 102.878 1.00 17.72 C ATOM 1190 CG MET A 119 11.462 38.981 103.180 1.00 19.29 C ATOM 1191 SD MET A 119 12.047 40.523 103.930 1.00 22.46 S ATOM 1192 CE MET A 119 12.881 41.325 102.570 1.00 30.37 C ATOM 1193 H MET A 119 10.960 37.725 100.601 1.00 0.00 H ATOM 1194 N ARG A 120 11.681 34.995 103.579 1.00 19.14 N ATOM 1195 CA ARG A 120 10.827 33.935 104.110 1.00 23.49 C ATOM 1196 C ARG A 120 11.185 33.614 105.552 1.00 17.09 C ATOM 1197 O ARG A 120 12.356 33.677 105.938 1.00 16.63 O ATOM 1198 CB ARG A 120 10.977 32.629 103.318 1.00 29.81 C ATOM 1199 CG ARG A 120 10.745 32.714 101.813 1.00 40.15 C ATOM 1200 CD ARG A 120 11.214 31.423 101.150 1.00 26.41 C ATOM 1201 NE ARG A 120 12.646 31.220 101.351 1.00 34.99 N ATOM 1202 CZ ARG A 120 13.595 31.661 100.527 1.00 36.61 C ATOM 1203 NH1 ARG A 120 13.280 32.326 99.421 1.00 28.11 N ATOM 1204 NH2 ARG A 120 14.868 31.434 100.807 1.00 39.56 N ATOM 1205 HE ARG A 120 12.946 30.694 102.197 1.00 0.00 H ATOM 1206 HH12 ARG A 120 14.031 32.665 98.786 1.00 0.00 H ATOM 1207 HH11 ARG A 120 12.282 32.508 99.190 1.00 0.00 H ATOM 1208 HH22 ARG A 120 15.611 31.777 100.165 1.00 0.00 H ATOM 1209 HH21 ARG A 120 15.126 30.912 101.669 1.00 0.00 H ATOM 1210 H ARG A 120 12.676 35.041 103.877 1.00 0.00 H ATOM 1211 N VAL A 121 10.174 33.246 106.337 1.00 18.25 N ATOM 1212 CA VAL A 121 10.394 32.673 107.666 1.00 18.43 C ATOM 1213 C VAL A 121 9.130 31.928 108.053 1.00 17.32 C ATOM 1214 O VAL A 121 8.023 32.413 107.825 1.00 21.28 O ATOM 1215 CB VAL A 121 10.781 33.743 108.727 1.00 16.00 C ATOM 1216 CG1 VAL A 121 9.678 34.770 108.944 1.00 17.50 C ATOM 1217 CG2 VAL A 121 11.124 33.059 110.056 1.00 26.59 C ATOM 1218 H VAL A 121 9.199 33.369 105.996 1.00 0.00 H ATOM 1219 N GLU A 122 9.304 30.727 108.631 1.00 19.57 N ATOM 1220 CA GLU A 122 8.191 29.932 109.142 1.00 25.04 C ATOM 1221 C GLU A 122 7.102 29.783 108.091 1.00 25.26 C ATOM 1222 O GLU A 122 5.905 29.747 108.398 1.00 28.56 O ATOM 1223 CB GLU A 122 7.625 30.540 110.425 1.00 28.30 C ATOM 1224 CG GLU A 122 8.330 30.104 111.665 1.00 27.77 C ATOM 1225 CD GLU A 122 7.765 30.749 112.901 1.00 38.03 C ATOM 1226 OE1 GLU A 122 6.938 31.683 112.777 1.00 42.09 O ATOM 1227 OE2 GLU A 122 8.151 30.310 114.000 1.00 39.18 O ATOM 1228 H GLU A 122 10.269 30.349 108.718 1.00 0.00 H ATOM 1229 N GLY A 123 7.519 29.665 106.834 1.00 25.08 N ATOM 1230 CA GLY A 123 6.578 29.477 105.743 1.00 28.83 C ATOM 1231 C GLY A 123 5.888 30.730 105.263 1.00 28.10 C ATOM 1232 O GLY A 123 5.100 30.664 104.309 1.00 30.31 O ATOM 1233 H GLY A 123 8.537 29.708 106.628 1.00 0.00 H ATOM 1234 N VAL A 124 6.145 31.851 105.889 1.00 22.36 N ATOM 1235 CA VAL A 124 5.586 33.136 105.503 1.00 18.23 C ATOM 1236 C VAL A 124 6.526 33.785 104.493 1.00 26.05 C ATOM 1237 O VAL A 124 7.752 33.798 104.683 1.00 22.90 O ATOM 1238 CB VAL A 124 5.402 34.021 106.753 1.00 18.92 C ATOM 1239 CG1 VAL A 124 4.942 35.390 106.380 1.00 18.25 C ATOM 1240 CG2 VAL A 124 4.419 33.369 107.735 1.00 21.80 C ATOM 1241 H VAL A 124 6.785 31.820 106.708 1.00 0.00 H ATOM 1242 N VAL A 125 5.959 34.360 103.437 1.00 18.40 N ATOM 1243 CA VAL A 125 6.731 34.860 102.305 1.00 18.68 C ATOM 1244 C VAL A 125 6.422 36.333 102.057 1.00 21.30 C ATOM 1245 O VAL A 125 5.252 36.726 101.972 1.00 21.29 O ATOM 1246 CB VAL A 125 6.443 34.030 101.047 1.00 23.82 C ATOM 1247 CG1 VAL A 125 7.270 34.537 99.891 1.00 21.89 C ATOM 1248 CG2 VAL A 125 6.714 32.568 101.336 1.00 32.19 C ATOM 1249 H VAL A 125 4.924 34.457 103.417 1.00 0.00 H ATOM 1250 N CYS A 126 7.477 37.140 101.910 1.00 18.46 N ATOM 1251 CA CYS A 126 7.368 38.540 101.521 1.00 17.66 C ATOM 1252 C CYS A 126 8.172 38.718 100.240 1.00 20.59 C ATOM 1253 O CYS A 126 9.290 38.216 100.138 1.00 18.44 O ATOM 1254 CB CYS A 126 7.885 39.481 102.630 1.00 16.25 C ATOM 1255 SG CYS A 126 8.249 41.184 102.118 1.00 15.59 S ATOM 1256 H CYS A 126 8.425 36.748 102.082 1.00 0.00 H ATOM 1257 N LYS A 127 7.585 39.375 99.245 1.00 14.06 N ATOM 1258 CA LYS A 127 8.247 39.595 97.956 1.00 14.06 C ATOM 1259 C LYS A 127 8.428 41.091 97.737 1.00 17.22 C ATOM 1260 O LYS A 127 7.469 41.874 97.835 1.00 16.84 O ATOM 1261 CB LYS A 127 7.461 38.970 96.791 1.00 14.95 C ATOM 1262 CG LYS A 127 8.042 39.271 95.404 1.00 15.13 C ATOM 1263 CD LYS A 127 9.416 38.629 95.292 1.00 21.51 C ATOM 1264 CE LYS A 127 10.087 38.965 94.019 1.00 16.64 C ATOM 1265 NZ LYS A 127 9.415 38.358 92.851 1.00 22.26 N ATOM 1266 HZ1 LYS A 127 9.415 37.323 92.952 1.00 0.00 H ATOM 1267 HZ2 LYS A 127 8.435 38.702 92.799 1.00 0.00 H ATOM 1268 HZ3 LYS A 127 9.923 38.623 91.983 1.00 0.00 H ATOM 1269 H LYS A 127 6.623 39.746 99.386 1.00 0.00 H ATOM 1270 N GLN A 128 9.651 41.485 97.411 1.00 15.50 N ATOM 1271 CA GLN A 128 9.955 42.876 97.107 1.00 15.16 C ATOM 1272 C GLN A 128 10.545 42.975 95.709 1.00 18.64 C ATOM 1273 O GLN A 128 11.206 42.047 95.223 1.00 17.51 O ATOM 1274 CB GLN A 128 10.934 43.499 98.112 1.00 14.61 C ATOM 1275 CG GLN A 128 10.432 43.432 99.528 1.00 13.53 C ATOM 1276 CD GLN A 128 11.363 44.034 100.539 1.00 15.13 C ATOM 1277 OE1 GLN A 128 12.565 44.195 100.290 1.00 16.17 O ATOM 1278 NE2 GLN A 128 10.815 44.364 101.701 1.00 16.63 N ATOM 1279 HE22 GLN A 128 9.799 44.208 101.860 1.00 0.00 H ATOM 1280 HE21 GLN A 128 11.401 44.779 102.453 1.00 0.00 H ATOM 1281 H GLN A 128 10.415 40.781 97.371 1.00 0.00 H ATOM 1282 N VAL A 129 10.286 44.099 95.062 1.00 18.18 N ATOM 1283 CA VAL A 129 10.877 44.366 93.753 1.00 19.15 C ATOM 1284 C VAL A 129 11.372 45.799 93.743 1.00 17.81 C ATOM 1285 O VAL A 129 10.657 46.718 94.154 1.00 17.08 O ATOM 1286 CB VAL A 129 9.911 44.132 92.582 1.00 22.39 C ATOM 1287 CG1 VAL A 129 10.695 44.310 91.314 1.00 17.06 C ATOM 1288 CG2 VAL A 129 9.374 42.743 92.623 1.00 19.28 C ATOM 1289 H VAL A 129 9.652 44.803 95.491 1.00 0.00 H ATOM 1290 N PHE A 130 12.591 45.982 93.263 1.00 13.30 N ATOM 1291 CA PHE A 130 13.252 47.273 93.169 1.00 15.25 C ATOM 1292 C PHE A 130 13.577 47.553 91.706 1.00 13.86 C ATOM 1293 O PHE A 130 13.808 46.626 90.918 1.00 16.18 O ATOM 1294 CB PHE A 130 14.576 47.339 93.941 1.00 13.78 C ATOM 1295 CG PHE A 130 14.446 47.012 95.403 1.00 12.06 C ATOM 1296 CD1 PHE A 130 14.250 45.703 95.820 1.00 11.95 C ATOM 1297 CD2 PHE A 130 14.457 48.021 96.365 1.00 11.83 C ATOM 1298 CE1 PHE A 130 14.091 45.407 97.166 1.00 11.59 C ATOM 1299 CE2 PHE A 130 14.296 47.715 97.726 1.00 13.62 C ATOM 1300 CZ PHE A 130 14.089 46.410 98.125 1.00 11.36 C ATOM 1301 H PHE A 130 13.112 45.145 92.930 1.00 0.00 H ATOM 1302 N LYS A 131 13.619 48.822 91.356 1.00 15.20 N ATOM 1303 CA LYS A 131 13.988 49.224 90.000 1.00 15.31 C ATOM 1304 C LYS A 131 15.383 49.853 89.991 1.00 15.13 C ATOM 1305 O LYS A 131 15.731 50.640 90.883 1.00 15.26 O ATOM 1306 CB LYS A 131 12.989 50.211 89.410 1.00 17.78 C ATOM 1307 CG LYS A 131 11.683 49.576 88.999 1.00 16.66 C ATOM 1308 CD LYS A 131 11.713 48.945 87.607 1.00 17.64 C ATOM 1309 CE LYS A 131 10.379 48.258 87.290 1.00 27.58 C ATOM 1310 NZ LYS A 131 10.351 47.613 85.932 1.00 29.55 N ATOM 1311 HZ1 LYS A 131 10.513 48.336 85.203 1.00 0.00 H ATOM 1312 HZ2 LYS A 131 11.097 46.891 85.877 1.00 0.00 H ATOM 1313 HZ3 LYS A 131 9.424 47.167 85.780 1.00 0.00 H ATOM 1314 H LYS A 131 13.385 49.552 92.058 1.00 0.00 H ATOM 1315 N LYS A 132 16.183 49.530 88.969 1.00 15.17 N ATOM 1316 CA LYS A 132 17.534 50.098 88.908 1.00 15.15 C ATOM 1317 C LYS A 132 17.443 51.593 88.594 1.00 15.64 C ATOM 1318 O LYS A 132 16.703 52.005 87.695 1.00 17.03 O ATOM 1319 CB LYS A 132 18.389 49.378 87.856 1.00 17.11 C ATOM 1320 CG LYS A 132 19.889 49.364 88.255 1.00 29.92 C ATOM 1321 CD LYS A 132 20.705 48.520 87.325 1.00 42.85 C ATOM 1322 CE LYS A 132 22.139 48.404 87.806 1.00 28.46 C ATOM 1323 NZ LYS A 132 22.854 49.680 87.644 1.00 28.53 N ATOM 1324 HZ1 LYS A 132 22.859 49.948 86.639 1.00 0.00 H ATOM 1325 HZ2 LYS A 132 22.374 50.418 88.198 1.00 0.00 H ATOM 1326 HZ3 LYS A 132 23.832 49.573 87.981 1.00 0.00 H ATOM 1327 H LYS A 132 15.851 48.883 88.226 1.00 0.00 H ATOM 1328 N VAL A 133 18.152 52.415 89.373 1.00 15.31 N ATOM 1329 CA VAL A 133 18.108 53.862 89.209 1.00 15.87 C ATOM 1330 C VAL A 133 19.530 54.379 89.049 1.00 16.09 C ATOM 1331 O VAL A 133 20.493 53.668 89.339 1.00 15.66 O ATOM 1332 CB VAL A 133 17.405 54.557 90.400 1.00 15.52 C ATOM 1333 CG1 VAL A 133 15.884 54.337 90.319 1.00 15.68 C ATOM 1334 CG2 VAL A 133 17.940 54.054 91.731 1.00 17.38 C ATOM 1335 H VAL A 133 18.753 52.010 90.119 1.00 0.00 H ATOM 1336 N GLN A 134 19.641 55.648 88.629 1.00 16.85 N ATOM 1337 CA GLN A 134 20.940 56.248 88.356 1.00 17.29 C ATOM 1338 C GLN A 134 21.183 57.570 89.068 1.00 17.54 C ATOM 1339 O GLN A 134 22.282 58.120 88.962 1.00 17.97 O ATOM 1340 CB GLN A 134 21.129 56.467 86.849 1.00 19.14 C ATOM 1341 CG GLN A 134 20.707 55.300 86.000 1.00 18.46 C ATOM 1342 CD GLN A 134 21.537 54.072 86.208 1.00 17.87 C ATOM 1343 OE1 GLN A 134 22.743 54.157 86.550 1.00 17.74 O ATOM 1344 NE2 GLN A 134 20.948 52.908 85.922 1.00 17.69 N ATOM 1345 HE22 GLN A 134 19.946 52.887 85.643 1.00 0.00 H ATOM 1346 HE21 GLN A 134 21.491 52.023 85.978 1.00 0.00 H ATOM 1347 H GLN A 134 18.780 56.216 88.495 1.00 0.00 H ATOM 1348 N HIS A 135 20.217 58.107 89.801 1.00 18.81 N ATOM 1349 CA HIS A 135 20.415 59.393 90.458 1.00 22.42 C ATOM 1350 C HIS A 135 20.917 59.070 91.846 1.00 18.12 C ATOM 1351 O HIS A 135 20.234 58.372 92.595 1.00 19.53 O ATOM 1352 CB HIS A 135 19.133 60.222 90.552 1.00 22.17 C ATOM 1353 CG HIS A 135 19.353 61.601 91.092 1.00 22.15 C ATOM 1354 ND1 HIS A 135 19.917 62.611 90.347 1.00 24.06 N ATOM 1355 CD2 HIS A 135 19.101 62.132 92.316 1.00 22.49 C ATOM 1356 CE1 HIS A 135 19.964 63.716 91.070 1.00 23.54 C ATOM 1357 NE2 HIS A 135 19.501 63.447 92.272 1.00 23.31 N ATOM 1358 H HIS A 135 19.311 57.607 89.908 1.00 0.00 H ATOM 1359 N HIS A 136 22.103 59.539 92.198 1.00 22.28 N ATOM 1360 CA HIS A 136 22.609 59.073 93.477 1.00 29.25 C ATOM 1361 C HIS A 136 22.375 60.083 94.587 1.00 29.68 C ATOM 1362 O HIS A 136 22.288 61.291 94.355 1.00 29.50 O ATOM 1363 CB HIS A 136 24.084 58.699 93.423 1.00 36.36 C ATOM 1364 CG HIS A 136 24.477 57.736 94.503 1.00 29.28 C ATOM 1365 ND1 HIS A 136 25.611 57.902 95.269 1.00 28.49 N ATOM 1366 CD2 HIS A 136 23.866 56.620 94.973 1.00 22.86 C ATOM 1367 CE1 HIS A 136 25.696 56.919 96.150 1.00 19.81 C ATOM 1368 NE2 HIS A 136 24.660 56.118 95.984 1.00 26.08 N ATOM 1369 H HIS A 136 22.638 60.199 91.598 1.00 0.00 H ATOM 1370 N HIS A 137 22.243 59.547 95.804 1.00 33.99 N ATOM 1371 CA HIS A 137 22.157 60.324 97.026 1.00 46.74 C ATOM 1372 C HIS A 137 23.356 59.991 97.908 1.00 38.80 C ATOM 1373 O HIS A 137 23.849 58.856 97.915 1.00 39.81 O ATOM 1374 CB HIS A 137 20.857 60.035 97.824 1.00 62.46 C ATOM 1375 CG HIS A 137 19.769 59.331 97.054 1.00 62.42 C ATOM 1376 ND1 HIS A 137 19.632 59.397 95.682 1.00 65.20 N ATOM 1377 CD2 HIS A 137 18.745 58.556 97.490 1.00 65.94 C ATOM 1378 CE1 HIS A 137 18.585 58.682 95.306 1.00 58.93 C ATOM 1379 NE2 HIS A 137 18.026 58.164 96.385 1.00 63.56 N ATOM 1380 H HIS A 137 22.199 58.511 95.880 1.00 0.00 H ATOM 1381 N HIS A 138 23.821 60.979 98.666 1.00 34.28 N ATOM 1382 CA HIS A 138 24.820 60.689 99.685 1.00 50.89 C ATOM 1383 C HIS A 138 24.173 59.979 100.875 1.00 53.40 C ATOM 1384 O HIS A 138 23.002 60.203 101.199 1.00 42.25 O ATOM 1385 CB HIS A 138 25.515 61.968 100.161 1.00 49.69 C ATOM 1386 CG HIS A 138 26.462 61.734 101.297 1.00 60.01 C ATOM 1387 ND1 HIS A 138 26.335 62.362 102.518 1.00 64.09 N ATOM 1388 CD2 HIS A 138 27.528 60.905 101.409 1.00 54.92 C ATOM 1389 CE1 HIS A 138 27.291 61.942 103.327 1.00 52.43 C ATOM 1390 NE2 HIS A 138 28.028 61.056 102.680 1.00 52.65 N ATOM 1391 H HIS A 138 23.474 61.950 98.532 1.00 0.00 H ATOM 1392 N HIS A 139 24.947 59.101 101.514 1.00 62.82 N ATOM 1393 CA HIS A 139 24.523 58.421 102.739 1.00 57.89 C ATOM 1394 C HIS A 139 25.727 58.103 103.620 1.00 54.41 C ATOM 1395 O HIS A 139 26.819 57.826 103.119 1.00 52.63 O ATOM 1396 CB HIS A 139 23.757 57.133 102.416 1.00 58.07 C ATOM 1397 CG HIS A 139 24.587 56.082 101.745 1.00 59.17 C ATOM 1398 ND1 HIS A 139 25.309 55.140 102.449 1.00 58.31 N ATOM 1399 CD2 HIS A 139 24.804 55.819 100.433 1.00 52.21 C ATOM 1400 CE1 HIS A 139 25.937 54.344 101.601 1.00 43.81 C ATOM 1401 NE2 HIS A 139 25.647 54.735 100.372 1.00 51.83 N ATOM 1402 H HIS A 139 25.889 58.891 101.127 1.00 0.00 H TER 1403 HIS A 139 HETATM 1404 O HOH 1 17.145 32.456 88.104 1.00 51.26 O HETATM 1405 O HOH 2 12.193 33.271 89.794 1.00 49.01 O HETATM 1406 O HOH 3 1.919 50.792 108.295 1.00 41.68 O HETATM 1407 O HOH 4 30.371 29.275 111.065 1.00 31.64 O HETATM 1408 O HOH 5 3.276 52.254 114.172 1.00 50.59 O HETATM 1409 O HOH 6 17.010 30.431 101.357 1.00 45.48 O HETATM 1410 O HOH 7 25.638 30.163 89.783 1.00 43.24 O HETATM 1411 O HOH 8 33.884 45.612 103.834 1.00 26.54 O HETATM 1412 O HOH 9 10.203 28.994 113.575 1.00 28.97 O HETATM 1413 O HOH 10 12.374 56.772 106.041 1.00 30.04 O HETATM 1414 O HOH 11 18.128 55.787 111.567 1.00 36.24 O HETATM 1415 O HOH 12 19.294 65.527 93.690 1.00 43.98 O HETATM 1416 O HOH 13 -0.350 40.601 97.550 1.00 27.36 O HETATM 1417 O HOH 14 11.896 34.771 87.411 1.00 51.69 O HETATM 1418 O HOH 15 11.036 39.730 117.594 1.00 36.19 O HETATM 1419 O HOH 16 14.786 36.553 105.917 1.00 18.77 O HETATM 1420 O HOH 17 19.533 36.785 88.405 1.00 29.33 O HETATM 1421 O HOH 18 8.218 55.970 103.906 1.00 29.63 O HETATM 1422 O HOH 19 30.396 36.269 93.931 1.00 42.47 O HETATM 1423 O HOH 20 26.356 43.977 115.659 1.00 35.52 O HETATM 1424 O HOH 21 7.148 56.665 98.193 1.00 48.91 O HETATM 1425 O HOH 22 8.794 35.835 92.921 1.00 33.11 O HETATM 1426 O HOH 23 13.349 53.111 97.662 1.00 17.16 O HETATM 1427 O HOH 24 24.816 27.150 111.700 1.00 36.03 O HETATM 1428 O HOH 25 18.029 33.496 115.716 1.00 27.32 O HETATM 1429 O HOH 26 7.155 49.085 102.567 1.00 25.20 O HETATM 1430 O HOH 27 4.611 36.909 118.565 1.00 37.20 O HETATM 1431 O HOH 28 19.616 39.688 105.627 1.00 18.03 O HETATM 1432 O HOH 29 30.498 47.220 105.956 1.00 38.35 O HETATM 1433 O HOH 30 24.500 59.544 88.881 1.00 28.19 O HETATM 1434 O HOH 31 26.423 41.003 84.579 1.00 41.94 O HETATM 1435 O HOH 32 24.698 27.491 90.646 1.00 48.03 O HETATM 1436 O HOH 33 2.734 36.101 110.130 1.00 24.08 O HETATM 1437 O HOH 34 0.920 36.840 115.743 1.00 37.59 O HETATM 1438 O HOH 35 26.166 60.455 95.737 1.00 32.33 O HETATM 1439 O HOH 36 5.247 54.858 102.420 1.00 43.09 O HETATM 1440 O HOH 37 10.040 40.898 85.372 1.00 34.85 O HETATM 1441 O HOH 38 36.178 37.952 96.385 1.00 26.43 O HETATM 1442 O HOH 39 24.404 29.487 107.841 1.00 24.10 O HETATM 1443 O HOH 40 20.079 48.492 111.408 1.00 26.49 O HETATM 1444 O HOH 41 14.463 53.009 86.629 1.00 23.77 O HETATM 1445 O HOH 42 28.296 45.761 87.065 1.00 25.48 O HETATM 1446 O HOH 43 11.739 29.225 120.052 1.00 28.78 O HETATM 1447 O HOH 44 15.148 50.432 82.700 1.00 31.32 O HETATM 1448 O HOH 45 14.992 26.046 109.459 1.00 39.47 O HETATM 1449 O HOH 46 31.521 32.147 94.085 1.00 45.99 O HETATM 1450 O HOH 47 0.820 43.708 111.138 1.00 31.00 O HETATM 1451 O HOH 48 23.097 45.213 88.674 1.00 25.57 O HETATM 1452 O HOH 49 19.320 42.627 83.617 1.00 29.80 O HETATM 1453 O HOH 50 18.951 42.548 99.670 1.00 22.54 O HETATM 1454 O HOH 51 4.312 47.813 101.112 1.00 20.99 O HETATM 1455 O HOH 52 16.075 36.358 85.672 1.00 43.04 O HETATM 1456 O HOH 53 31.229 36.177 115.134 1.00 37.45 O HETATM 1457 O HOH 54 18.070 52.654 85.405 1.00 18.29 O HETATM 1458 O HOH 55 9.117 30.616 98.993 1.00 52.56 O HETATM 1459 O HOH 56 18.003 35.566 121.381 1.00 34.29 O HETATM 1460 O HOH 57 23.547 44.884 112.526 1.00 27.40 O HETATM 1461 O HOH 58 35.776 44.196 91.609 1.00 30.63 O HETATM 1462 O HOH 59 34.113 46.051 98.101 1.00 17.63 O HETATM 1463 O HOH 60 36.671 43.215 98.349 1.00 18.97 O HETATM 1464 O HOH 61 21.082 45.138 103.736 1.00 12.48 O HETATM 1465 O HOH 62 19.269 45.841 85.869 1.00 23.79 O HETATM 1466 O HOH 63 16.484 31.592 112.217 1.00 22.71 O HETATM 1467 O HOH 64 16.499 29.237 108.987 1.00 20.55 O HETATM 1468 O HOH 65 10.061 29.441 105.690 1.00 23.93 O HETATM 1469 O HOH 66 4.290 31.895 111.984 1.00 36.62 O HETATM 1470 O HOH 67 34.708 39.648 102.413 1.00 26.12 O HETATM 1471 O HOH 68 3.858 44.772 102.629 1.00 16.97 O HETATM 1472 O HOH 69 29.073 49.813 104.342 1.00 42.33 O HETATM 1473 O HOH 70 31.177 28.772 106.010 1.00 45.69 O HETATM 1474 O HOH 71 7.346 35.477 96.028 1.00 31.82 O HETATM 1475 O HOH 72 -1.188 37.929 103.964 1.00 24.72 O HETATM 1476 O HOH 73 20.241 56.494 104.620 1.00 24.60 O HETATM 1477 O HOH 74 27.230 27.326 105.744 1.00 31.81 O HETATM 1478 O HOH 75 10.967 53.928 96.383 1.00 19.04 O HETATM 1479 O HOH 76 13.792 29.945 103.813 1.00 28.60 O HETATM 1480 O HOH 77 17.048 56.147 100.881 1.00 39.11 O HETATM 1481 O HOH 78 32.809 40.744 104.196 1.00 22.29 O HETATM 1482 O HOH 79 3.777 50.178 94.705 1.00 17.02 O HETATM 1483 O HOH 80 3.488 51.171 102.738 1.00 32.29 O HETATM 1484 O HOH 81 30.677 38.946 107.241 1.00 25.66 O HETATM 1485 O HOH 82 -0.037 41.948 109.689 1.00 38.41 O HETATM 1486 O HOH 83 16.951 28.159 111.585 1.00 29.33 O HETATM 1487 O HOH 84 22.238 32.902 116.281 1.00 31.62 O HETATM 1488 O HOH 85 31.294 38.891 91.370 1.00 27.94 O HETATM 1489 O HOH 86 1.154 35.003 107.525 1.00 30.77 O HETATM 1490 O HOH 87 3.824 37.961 116.437 1.00 38.37 O HETATM 1491 O HOH 88 1.404 41.362 105.419 1.00 20.46 O HETATM 1492 O HOH 89 20.056 44.997 113.811 1.00 29.20 O HETATM 1493 O HOH 90 27.810 34.111 103.074 1.00 21.30 O HETATM 1494 O HOH 91 10.679 33.299 119.550 1.00 39.05 O HETATM 1495 O HOH 92 14.678 44.692 102.164 1.00 21.69 O HETATM 1496 O HOH 93 12.089 55.929 99.135 1.00 35.85 O HETATM 1497 O HOH 94 14.684 58.540 96.007 1.00 33.04 O HETATM 1498 O HOH 95 31.703 44.517 98.023 1.00 16.98 O HETATM 1499 O HOH 96 24.522 42.368 108.774 1.00 21.33 O HETATM 1500 O HOH 97 15.610 38.593 108.485 1.00 21.46 O HETATM 1501 O HOH 98 1.626 40.284 116.835 1.00 34.25 O HETATM 1502 O HOH 99 27.405 44.532 108.480 1.00 28.33 O HETATM 1503 O HOH 100 24.452 51.849 86.193 1.00 27.97 O HETATM 1504 O HOH 101 25.413 45.526 110.175 1.00 27.15 O HETATM 1505 O HOH 102 25.700 41.572 111.187 1.00 23.98 O HETATM 1506 O HOH 103 7.443 54.879 109.109 1.00 29.49 O HETATM 1507 O HOH 104 36.901 34.074 101.396 1.00 52.16 O HETATM 1508 O HOH 105 8.605 44.230 84.033 1.00 34.15 O HETATM 1509 O HOH 106 14.887 27.162 117.930 1.00 25.43 O HETATM 1510 O HOH 107 23.208 29.696 101.266 1.00 26.10 O HETATM 1511 O HOH 108 3.097 34.048 102.944 1.00 25.80 O HETATM 1512 O HOH 109 3.280 56.666 97.803 1.00 28.79 O HETATM 1513 O HOH 110 30.464 32.136 111.079 1.00 40.03 O HETATM 1514 O HOH 111 1.851 47.946 102.098 1.00 22.03 O HETATM 1515 O HOH 112 9.573 44.252 118.097 1.00 34.98 O HETATM 1516 O HOH 113 4.575 37.397 99.184 1.00 27.17 O HETATM 1517 O HOH 114 6.458 53.982 96.859 1.00 31.01 O HETATM 1518 O HOH 115 7.434 51.676 96.538 1.00 23.94 O HETATM 1519 O HOH 116 26.621 25.990 111.056 1.00 39.51 O HETATM 1520 O HOH 117 -0.093 42.080 116.867 1.00 48.57 O HETATM 1521 O HOH 118 21.966 50.151 84.856 1.00 31.45 O HETATM 1522 O HOH 119 23.731 47.565 109.926 1.00 18.22 O HETATM 1523 O HOH 120 28.309 30.252 96.220 1.00 28.78 O HETATM 1524 O HOH 121 19.712 37.887 86.040 1.00 42.27 O HETATM 1525 O HOH 122 20.142 59.634 100.615 1.00 39.72 O HETATM 1526 O HOH 123 18.898 30.669 88.128 1.00 33.44 O HETATM 1527 O HOH 124 18.954 39.194 120.926 1.00 46.00 O HETATM 1528 O HOH 125 23.639 40.957 86.020 1.00 29.23 O HETATM 1529 O HOH 126 26.560 41.176 107.158 1.00 25.03 O HETATM 1530 O HOH 127 2.277 43.541 119.084 1.00 32.04 O HETATM 1531 O HOH 128 31.240 50.219 98.911 1.00 31.88 O HETATM 1532 O HOH 129 13.104 45.184 82.631 1.00 43.63 O HETATM 1533 O HOH 130 9.056 37.229 89.377 1.00 37.78 O HETATM 1534 O HOH 131 37.102 39.293 99.817 1.00 23.66 O HETATM 1535 O HOH 132 26.050 34.138 87.617 1.00 32.20 O HETATM 1536 O HOH 133 30.992 35.933 105.224 1.00 26.56 O HETATM 1537 O HOH 134 1.055 43.549 100.623 1.00 21.69 O HETATM 1538 O HOH 135 14.358 56.909 98.152 1.00 32.06 O HETATM 1539 O HOH 136 14.297 55.588 101.502 1.00 40.76 O HETATM 1540 O HOH 137 10.825 48.385 82.918 1.00 31.61 O HETATM 1541 O HOH 138 2.159 44.034 104.519 1.00 16.90 O HETATM 1542 O HOH 139 14.168 57.060 103.284 1.00 28.84 O HETATM 1543 O HOH 140 15.904 33.529 113.974 1.00 25.50 O HETATM 1544 O HOH 141 6.742 57.383 100.940 1.00 59.51 O HETATM 1545 O HOH 142 11.270 55.452 103.600 1.00 25.17 O HETATM 1546 O HOH 143 1.196 35.190 105.063 1.00 22.98 O HETATM 1547 O HOH 144 24.771 53.140 107.840 1.00 33.56 O HETATM 1548 O HOH 145 31.069 36.295 111.539 1.00 32.11 O HETATM 1549 O HOH 146 3.043 47.678 119.542 1.00 28.87 O HETATM 1550 O HOH 147 28.567 36.036 88.619 1.00 34.07 O HETATM 1551 O HOH 148 23.377 26.431 95.820 1.00 48.03 O HETATM 1552 O HOH 149 26.312 39.982 116.379 1.00 41.18 O HETATM 1553 O HOH 150 33.848 41.869 90.532 1.00 33.82 O HETATM 1554 O HOH 151 17.341 39.438 83.004 1.00 40.30 O HETATM 1555 O HOH 152 -2.488 37.507 106.232 1.00 29.83 O HETATM 1556 O HOH 153 18.156 47.294 112.339 1.00 40.45 O HETATM 1557 O HOH 154 -2.875 38.409 110.271 1.00 33.54 O HETATM 1558 O HOH 155 11.596 43.248 84.148 1.00 39.92 O HETATM 1559 O HOH 156 3.674 30.778 110.400 1.00 34.80 O HETATM 1560 O HOH 157 -1.267 43.868 112.100 1.00 42.01 O HETATM 1561 O HOH 158 21.548 27.858 100.131 1.00 41.87 O HETATM 1562 O HOH 159 15.760 42.964 103.064 1.00 42.36 O HETATM 1563 O HOH 160 15.056 39.351 104.840 1.00 19.70 O HETATM 1564 O HOH 161 22.191 30.267 84.554 1.00 49.47 O HETATM 1565 O HOH 162 4.609 29.032 101.552 1.00 60.50 O HETATM 1566 O HOH 163 22.695 57.494 105.541 1.00 32.91 O HETATM 1567 O HOH 164 6.885 40.242 92.010 1.00 31.36 O HETATM 1568 O HOH 165 26.348 57.167 106.302 1.00 55.45 O HETATM 1569 O HOH 166 14.166 29.655 96.275 1.00 42.22 O HETATM 1570 O HOH 167 -0.213 41.045 101.806 1.00 25.43 O HETATM 1571 O HOH 168 21.593 46.393 116.133 1.00 43.83 O HETATM 1572 O HOH 169 16.241 28.932 104.631 1.00 41.61 O HETATM 1573 O HOH 170 12.272 27.987 102.182 1.00 58.10 O HETATM 1574 O HOH 171 18.872 40.970 101.811 1.00 28.38 O HETATM 1575 O HOH 172 0.274 45.645 105.308 1.00 40.29 O HETATM 1576 O HOH 173 24.056 55.859 109.149 1.00 42.57 O HETATM 1577 O HOH 174 17.045 40.060 106.608 1.00 19.88 O HETATM 1578 O HOH 175 26.095 52.835 104.868 1.00 37.01 O HETATM 1579 O HOH 176 17.443 35.143 87.280 1.00 40.07 O HETATM 1580 O HOH 177 31.297 40.891 89.839 1.00 38.02 O HETATM 1581 O HOH 178 15.861 45.239 80.952 1.00 62.33 O HETATM 1582 O HOH 179 3.035 54.068 111.944 1.00 40.07 O HETATM 1583 O HOH 180 3.539 34.548 114.933 1.00 47.45 O HETATM 1584 O HOH 181 17.520 29.345 89.897 1.00 46.33 O HETATM 1585 O HOH 182 23.346 28.092 113.909 1.00 33.92 O HETATM 1586 O HOH 183 1.281 36.288 96.641 1.00 45.89 O HETATM 1587 O HOH 184 0.954 53.724 110.465 1.00 38.76 O HETATM 1588 O HOH 185 2.030 34.739 100.687 1.00 27.63 O HETATM 1589 O HOH 186 11.559 57.874 109.381 1.00 50.90 O HETATM 1590 O HOH 187 6.642 31.189 97.325 1.00 61.39 O HETATM 1591 O HOH 188 32.976 39.627 106.685 1.00 48.51 O HETATM 1592 O HOH 189 10.223 58.171 107.081 1.00 40.33 O HETATM 1593 O HOH 190 18.636 26.464 111.608 1.00 50.65 O HETATM 1594 O HOH 191 16.349 40.649 102.848 1.00 24.66 O HETATM 1595 O HOH 192 -0.259 50.134 116.295 1.00 40.67 O HETATM 1596 O HOH 193 5.289 36.040 97.218 1.00 34.51 O HETATM 1597 O HOH 194 9.336 36.927 83.332 1.00 57.31 O HETATM 1598 O HOH 195 -0.946 41.784 106.680 1.00 31.16 O HETATM 1599 O HOH 196 3.038 34.240 112.242 1.00 37.54 O HETATM 1600 O HOH 197 19.508 42.783 103.944 1.00 27.77 O HETATM 1601 O HOH 198 5.870 38.434 120.576 1.00 44.31 O HETATM 1602 O HOH 199 21.607 57.609 108.940 1.00 42.97 O HETATM 1603 O HOH 200 1.239 49.463 119.637 1.00 41.33 O HETATM 1604 O HOH 201 0.026 52.361 108.595 1.00 32.00 O HETATM 1605 O HOH 202 3.402 58.761 99.210 1.00 39.38 O HETATM 1606 O HOH 203 18.019 46.743 81.680 1.00 53.18 O HETATM 1607 O HOH 204 1.544 37.218 99.270 1.00 28.59 O HETATM 1608 O HOH 205 2.743 45.492 120.913 1.00 41.79 O HETATM 1609 O HOH 206 -0.988 35.523 103.455 1.00 35.24 O HETATM 1610 O HOH 207 16.654 27.161 106.844 1.00 47.57 O HETATM 1611 O HOH 208 31.964 28.793 109.224 1.00 37.81 O HETATM 1612 O HOH 209 14.807 47.202 80.797 1.00 41.40 O HETATM 1613 O HOH 210 35.395 47.079 100.236 1.00 18.53 O HETATM 1614 O HOH 211 20.838 58.480 106.859 1.00 51.61 O HETATM 1615 O HOH 212 37.448 45.658 101.631 1.00 22.59 O HETATM 1616 O HOH 213 23.574 27.622 103.232 1.00 37.98 O HETATM 1617 O HOH 214 -2.813 45.117 111.945 1.00 50.10 O HETATM 1618 O HOH 215 19.167 47.971 83.957 1.00 27.97 O HETATM 1619 O HOH 216 17.981 50.434 83.812 1.00 28.07 O HETATM 1620 O HOH 217 7.540 56.764 107.140 1.00 28.07 O HETATM 1621 O HOH 218 33.989 48.736 101.862 1.00 35.91 O HETATM 1622 O HOH 219 29.158 46.857 107.974 1.00 25.51 O HETATM 1623 O HOH 220 -1.790 42.043 104.073 1.00 29.97 O HETATM 1624 O HOH 221 3.548 41.375 119.611 1.00 40.08 O HETATM 1625 O HOH 222 27.203 43.213 113.270 1.00 31.92 O HETATM 1626 O HOH 223 10.274 27.783 103.322 1.00 42.90 O HETATM 1627 O HOH 224 31.180 26.994 107.709 1.00 32.45 O HETATM 1628 O HOH 225 10.978 48.583 80.384 1.00 38.95 O HETATM 1629 O HOH 226 19.647 51.337 81.683 1.00 32.48 O HETATM 1630 O HOH 227 28.280 33.645 88.925 1.00 55.87 O HETATM 1631 O HOH 228 17.599 42.790 105.618 1.00 30.89 O HETATM 1632 O HOH 229 5.422 55.944 110.814 1.00 51.35 O HETATM 1633 O HOH 230 9.172 56.316 110.318 1.00 37.70 O HETATM 1634 O HOH 231 4.484 33.995 97.145 1.00 32.97 O HETATM 1635 O HOH 232 21.587 39.433 85.296 1.00 32.07 O HETATM 1636 O HOH 233 -0.662 43.116 118.945 1.00 37.35 O HETATM 1637 O HOH 234 5.121 57.826 106.137 1.00 44.38 O HETATM 1638 O HOH 235 9.677 60.773 108.279 1.00 41.14 O HETATM 1639 O HOH 236 28.427 50.946 107.235 1.00 37.20 O HETATM 1640 O HOH 237 3.445 33.048 98.585 1.00 33.60 O HETATM 1641 O HOH 238 39.753 45.439 90.736 1.00 52.98 O HETATM 1642 O HOH 239 28.213 49.516 108.802 1.00 32.18 O HETATM 1643 O HOH 240 8.258 59.563 104.257 1.00 41.03 O HETATM 1644 O HOH 241 21.362 25.304 102.205 1.00 44.76 O HETATM 1645 O HOH 242 -0.437 55.205 106.478 1.00 40.55 O HETATM 1646 C11 HVJ A 243 14.279 46.218 106.237 1.00 -0.06 C HETATM 1647 C16 HVJ A 243 13.924 46.109 104.915 1.00 -0.05 C HETATM 1648 C19 HVJ A 243 12.778 46.722 104.404 1.00 0.07 C HETATM 1649 C17 HVJ A 243 11.966 47.485 105.222 1.00 -0.02 C HETATM 1650 C13 HVJ A 243 12.279 47.593 106.569 1.00 0.08 C HETATM 1651 O01 HVJ A 243 11.495 48.326 107.381 1.00 -0.34 O HETATM 1652 H14 HVJ A 243 10.614 47.970 107.375 1.00 0.25 H HETATM 1653 C09 HVJ A 243 13.458 46.992 107.128 1.00 -0.01 C HETATM 1654 C04 HVJ A 243 13.701 47.178 108.589 1.00 0.00 C HETATM 1655 C03 HVJ A 243 14.032 48.637 108.948 1.00 0.01 C HETATM 1656 C10 HVJ A 243 15.233 49.122 108.108 1.00 -0.07 C HETATM 1657 C14 HVJ A 243 15.058 50.039 106.933 1.00 -0.03 C HETATM 1658 H4 HVJ A 243 16.040 50.253 106.486 1.00 0.04 H HETATM 1659 H5 HVJ A 243 14.594 50.979 107.267 1.00 0.04 H HETATM 1660 H6 HVJ A 243 14.412 49.557 106.185 1.00 0.04 H HETATM 1661 C15 HVJ A 243 16.474 48.721 108.367 1.00 -0.13 C HETATM 1662 H7 HVJ A 243 16.667 48.055 109.207 1.00 0.01 H HETATM 1663 H8 HVJ A 243 17.297 49.059 107.740 1.00 0.01 H HETATM 1664 C05 HVJ A 243 14.224 48.706 110.455 1.00 -0.03 C HETATM 1665 C06 HVJ A 243 13.008 48.231 111.249 1.00 -0.03 C HETATM 1666 C08 HVJ A 243 12.360 46.970 110.710 1.00 -0.08 C HETATM 1667 C12 HVJ A 243 11.375 46.200 111.576 1.00 -0.04 C HETATM 1668 H1 HVJ A 243 11.284 46.693 112.555 1.00 0.04 H HETATM 1669 H2 HVJ A 243 11.737 45.171 111.716 1.00 0.04 H HETATM 1670 H3 HVJ A 243 10.392 46.179 111.083 1.00 0.04 H HETATM 1671 C07 HVJ A 243 12.661 46.583 109.453 1.00 -0.10 C HETATM 1672 H22 HVJ A 243 12.085 45.757 109.038 1.00 0.03 H HETATM 1673 H20 HVJ A 243 12.257 49.034 111.240 1.00 0.04 H HETATM 1674 H21 HVJ A 243 13.327 48.038 112.284 1.00 0.04 H HETATM 1675 H18 HVJ A 243 14.434 49.750 110.731 1.00 0.03 H HETATM 1676 H19 HVJ A 243 15.084 48.075 110.725 1.00 0.03 H HETATM 1677 H16 HVJ A 243 13.172 49.272 108.689 1.00 0.05 H HETATM 1678 H17 HVJ A 243 14.616 46.608 108.806 1.00 0.05 H HETATM 1679 H10 HVJ A 243 11.097 47.992 104.817 1.00 0.04 H HETATM 1680 O02 HVJ A 243 12.441 46.620 103.090 1.00 -0.34 O HETATM 1681 H15 HVJ A 243 13.076 46.072 102.643 1.00 0.25 H HETATM 1682 H9 HVJ A 243 14.552 45.530 104.248 1.00 0.04 H HETATM 1683 C18 HVJ A 243 15.548 45.476 106.665 1.00 -0.04 C HETATM 1684 H11 HVJ A 243 15.985 44.965 105.795 1.00 0.04 H HETATM 1685 H12 HVJ A 243 15.296 44.735 107.438 1.00 0.04 H HETATM 1686 H13 HVJ A 243 16.275 46.196 107.070 1.00 0.04 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1646 1647 1653 1683 CONECT 1647 1646 1648 1682 CONECT 1648 1647 1649 1680 CONECT 1649 1648 1650 1679 CONECT 1650 1649 1651 1653 CONECT 1651 1650 1652 CONECT 1652 1651 CONECT 1653 1646 1650 1654 CONECT 1654 1653 1655 1671 1678 CONECT 1655 1654 1656 1664 1677 CONECT 1656 1655 1657 1661 CONECT 1657 1656 1658 1659 1660 CONECT 1658 1657 CONECT 1659 1657 CONECT 1660 1657 CONECT 1661 1656 1662 1663 CONECT 1662 1661 CONECT 1663 1661 CONECT 1664 1655 1665 1675 1676 CONECT 1665 1664 1666 1673 1674 CONECT 1666 1665 1667 1671 CONECT 1667 1666 1668 1669 1670 CONECT 1668 1667 CONECT 1669 1667 CONECT 1670 1667 CONECT 1671 1654 1666 1672 CONECT 1672 1671 CONECT 1673 1665 CONECT 1674 1665 CONECT 1675 1664 CONECT 1676 1664 CONECT 1677 1655 CONECT 1678 1654 CONECT 1679 1649 CONECT 1680 1648 1681 CONECT 1681 1680 CONECT 1682 1647 CONECT 1683 1646 1684 1685 1686 CONECT 1684 1683 CONECT 1685 1683 CONECT 1686 1683 MASTER 0 0 0 0 0 0 0 0 1685 1 44 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6e5t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ha1
RCSB PDB
PDBbind
140aa, >5HA1_1|Chain... *
5hbs
RCSB PDB
PDBbind
140aa, >5HBS_1|Chain... at 100%
6e6m
RCSB PDB
PDBbind
140aa, >6E6M_1|Chains... 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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6e5t
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Retinol-binding protein 1
Ligand Name
HVJ
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Ki=285nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Chem.Biol. Vol. 14: pp. 434-448
Ligand Properties
Formula
C
1
7
H
2
2
O
2
Molecular Weight
258.355
Exact Mass
258.162
No. of atoms
41
No. of bonds
42
Polar Surface Area
40.46
LOGP Value
4.47 (
Computed with XLOGP3
)
4.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(C)cc(cc1O)O
InChI String
InChI=1S/C17H22O2/c1-10(2)14-6-5-11(3)7-15(14)17-12(4)8-13(18)9-16(17)19/h7-9,14-15,18-19H,1,5-6H2,2-4H3/t14-,15+/m0/s1
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