Browse entries in the PDBbind-CN Database
HEADER 6GHH_COMPLEX COMPND 6GHH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 162 LEU ILE VAL THR GLN THR MET LYS GLY LEU ASP ILE GLN SEQRES 2 A 162 LYS VAL ALA GLY THR TRP TYR SER LEU ALA MET ALA ALA SEQRES 3 A 162 SER ASP ILE SER LEU LEU ASP ALA GLN SER ALA PRO LEU SEQRES 4 A 162 ARG VAL TYR VAL GLU GLU LEU LYS PRO THR PRO GLU GLY SEQRES 5 A 162 ASP LEU GLU ILE LEU LEU GLN LYS TRP GLU ASN GLY GLU SEQRES 6 A 162 CYS ALA GLN LYS LYS ILE ILE ALA GLU LYS THR LYS ILE SEQRES 7 A 162 PRO ALA VAL PHE LYS ILE ASP ALA LEU ASN GLU ASN LYS SEQRES 8 A 162 VAL LEU VAL LEU ASP THR ASP TYR LYS LYS TYR LEU LEU SEQRES 9 A 162 PHE CYS MET GLU ASN SER ALA GLU PRO GLU GLN SER LEU SEQRES 10 A 162 ALA CYS GLN CYS LEU VAL ARG THR PRO GLU VAL ASP ASP SEQRES 11 A 162 GLU ALA LEU GLU LYS PHE ASP LYS ALA LEU LYS ALA LEU SEQRES 12 A 162 PRO MET HIS ILE ARG LEU SER PHE ASN PRO THR GLN LEU SEQRES 13 A 162 GLU GLU GLN CYS HIS ILE HET TDA A 238 36 SSBOND 1 CYS A 106 CYS A 119 SSBOND 2 CYS A 66 CYS A 160 ATOM 1 N LEU A 1 46.412 -33.358 110.948 1.00 87.60 N ATOM 2 CA LEU A 1 47.577 -34.291 111.077 1.00 86.56 C ATOM 3 C LEU A 1 48.012 -34.333 112.552 1.00 78.57 C ATOM 4 O LEU A 1 48.858 -33.542 112.969 1.00 83.39 O ATOM 5 CB LEU A 1 48.696 -33.793 110.146 1.00 90.62 C ATOM 6 CG LEU A 1 49.772 -34.790 109.700 1.00 96.61 C ATOM 7 CD1 LEU A 1 50.805 -35.045 110.793 1.00 98.66 C ATOM 8 CD2 LEU A 1 49.181 -36.105 109.202 1.00 94.76 C ATOM 9 HN3 LEU A 1 46.694 -32.407 111.261 1.00 0.00 H ATOM 10 HN2 LEU A 1 45.628 -33.701 111.539 1.00 0.00 H ATOM 11 HN1 LEU A 1 46.108 -33.321 109.954 1.00 0.00 H ATOM 12 N ILE A 2 47.452 -35.260 113.342 1.00 71.99 N ATOM 13 CA ILE A 2 47.907 -35.415 114.734 1.00 66.94 C ATOM 14 C ILE A 2 48.898 -36.585 114.854 1.00 57.16 C ATOM 15 O ILE A 2 49.940 -36.431 115.489 1.00 61.12 O ATOM 16 CB ILE A 2 46.754 -35.423 115.767 1.00 69.49 C ATOM 17 CG1 ILE A 2 47.249 -35.021 117.156 1.00 73.04 C ATOM 18 CG2 ILE A 2 46.025 -36.748 115.845 1.00 69.16 C ATOM 19 CD1 ILE A 2 46.139 -34.728 118.132 1.00 72.65 C ATOM 20 H ILE A 2 46.696 -35.870 112.972 1.00 0.00 H ATOM 21 N VAL A 3 48.607 -37.740 114.256 1.00 52.55 N ATOM 22 CA VAL A 3 49.505 -38.910 114.347 1.00 49.20 C ATOM 23 C VAL A 3 50.599 -38.776 113.278 1.00 52.40 C ATOM 24 O VAL A 3 50.294 -38.579 112.091 1.00 57.85 O ATOM 25 CB VAL A 3 48.757 -40.251 114.213 1.00 49.21 C ATOM 26 CG1 VAL A 3 49.709 -41.431 114.300 1.00 46.92 C ATOM 27 CG2 VAL A 3 47.658 -40.402 115.248 1.00 45.18 C ATOM 28 H VAL A 3 47.725 -37.820 113.711 1.00 0.00 H ATOM 29 N THR A 4 51.862 -38.840 113.716 1.00 49.60 N ATOM 30 CA THR A 4 53.040 -38.771 112.840 1.00 51.83 C ATOM 31 C THR A 4 53.983 -39.952 113.104 1.00 51.30 C ATOM 32 O THR A 4 55.222 -39.806 113.298 1.00 50.53 O ATOM 33 CB THR A 4 53.840 -37.499 113.129 1.00 55.54 C ATOM 34 OG1 THR A 4 54.270 -37.576 114.493 1.00 53.16 O ATOM 35 CG2 THR A 4 53.040 -36.251 112.822 1.00 58.41 C ATOM 36 HG1 THR A 4 54.834 -38.380 114.615 1.00 0.00 H ATOM 37 H THR A 4 52.019 -38.945 114.739 1.00 0.00 H ATOM 38 N GLN A 5 53.370 -41.134 113.229 1.00 42.85 N ATOM 39 CA GLN A 5 54.128 -42.341 113.195 1.00 42.74 C ATOM 40 C GLN A 5 53.398 -43.227 112.182 1.00 37.75 C ATOM 41 O GLN A 5 52.226 -43.434 112.295 1.00 36.26 O ATOM 42 CB GLN A 5 54.263 -42.988 114.573 1.00 44.59 C ATOM 43 CG GLN A 5 55.123 -44.242 114.518 1.00 51.50 C ATOM 44 CD GLN A 5 55.010 -45.101 115.757 1.00 55.13 C ATOM 45 OE1 GLN A 5 54.724 -44.590 116.846 1.00 63.25 O ATOM 46 NE2 GLN A 5 55.359 -46.375 115.623 1.00 47.42 N ATOM 47 HE22 GLN A 5 55.590 -46.755 114.683 1.00 0.00 H ATOM 48 HE21 GLN A 5 55.401 -46.993 116.458 1.00 0.00 H ATOM 49 H GLN A 5 52.338 -41.173 113.351 1.00 0.00 H ATOM 50 N THR A 6 54.057 -43.537 111.078 1.00 38.56 N ATOM 51 CA THR A 6 53.473 -44.435 110.099 1.00 37.87 C ATOM 52 C THR A 6 54.532 -45.505 109.826 1.00 39.28 C ATOM 53 O THR A 6 55.761 -45.262 109.973 1.00 41.36 O ATOM 54 CB THR A 6 52.959 -43.708 108.850 1.00 39.22 C ATOM 55 OG1 THR A 6 54.044 -42.930 108.347 1.00 40.97 O ATOM 56 CG2 THR A 6 51.766 -42.811 109.089 1.00 39.66 C ATOM 57 HG1 THR A 6 53.751 -42.443 107.536 1.00 0.00 H ATOM 58 H THR A 6 55.001 -43.134 110.910 1.00 0.00 H ATOM 59 N MET A 7 54.049 -46.668 109.377 1.00 35.83 N ATOM 60 CA MET A 7 54.819 -47.831 108.994 1.00 38.96 C ATOM 61 C MET A 7 55.413 -47.495 107.621 1.00 39.54 C ATOM 62 O MET A 7 54.673 -47.088 106.743 1.00 39.23 O ATOM 63 CB MET A 7 53.814 -48.982 108.948 1.00 39.37 C ATOM 64 CG MET A 7 54.300 -50.329 108.482 1.00 46.03 C ATOM 65 SD MET A 7 55.532 -50.968 109.602 1.00 51.74 S ATOM 66 CE MET A 7 56.086 -52.463 108.798 1.00 52.36 C ATOM 67 H MET A 7 53.015 -46.744 109.295 1.00 0.00 H ATOM 68 N LYS A 8 56.739 -47.501 107.537 1.00 38.40 N ATOM 69 CA LYS A 8 57.385 -47.412 106.251 1.00 41.51 C ATOM 70 C LYS A 8 57.368 -48.795 105.611 1.00 41.90 C ATOM 71 O LYS A 8 57.640 -49.788 106.283 1.00 41.00 O ATOM 72 CB LYS A 8 58.853 -47.006 106.384 1.00 43.69 C ATOM 73 CG LYS A 8 59.087 -45.589 106.860 1.00 44.48 C ATOM 74 CD LYS A 8 60.520 -45.123 106.615 1.00 48.84 C ATOM 75 CE LYS A 8 60.655 -43.622 106.573 1.00 48.56 C ATOM 76 NZ LYS A 8 62.051 -43.222 106.325 1.00 51.56 N ATOM 77 HZ1 LYS A 8 62.656 -43.590 107.087 1.00 0.00 H ATOM 78 HZ2 LYS A 8 62.365 -43.611 105.413 1.00 0.00 H ATOM 79 HZ3 LYS A 8 62.114 -42.184 106.301 1.00 0.00 H ATOM 80 H LYS A 8 57.313 -47.570 108.402 1.00 0.00 H ATOM 81 N GLY A 9 57.112 -48.815 104.305 1.00 43.61 N ATOM 82 CA GLY A 9 57.210 -50.024 103.476 1.00 45.15 C ATOM 83 C GLY A 9 56.125 -51.033 103.788 1.00 43.66 C ATOM 84 O GLY A 9 56.319 -52.222 103.592 1.00 44.80 O ATOM 85 H GLY A 9 56.827 -47.926 103.846 1.00 0.00 H ATOM 86 N LEU A 10 54.955 -50.561 104.241 1.00 40.55 N ATOM 87 CA LEU A 10 53.845 -51.426 104.526 1.00 38.25 C ATOM 88 C LEU A 10 53.391 -52.201 103.285 1.00 40.38 C ATOM 89 O LEU A 10 53.160 -51.596 102.227 1.00 42.40 O ATOM 90 CB LEU A 10 52.671 -50.592 105.044 1.00 36.76 C ATOM 91 CG LEU A 10 51.376 -51.383 105.253 1.00 34.42 C ATOM 92 CD1 LEU A 10 51.503 -52.381 106.380 1.00 34.84 C ATOM 93 CD2 LEU A 10 50.195 -50.473 105.498 1.00 33.02 C ATOM 94 H LEU A 10 54.848 -49.537 104.391 1.00 0.00 H ATOM 95 N ASP A 11 53.199 -53.513 103.456 1.00 40.74 N ATOM 96 CA ASP A 11 52.598 -54.370 102.455 1.00 43.81 C ATOM 97 C ASP A 11 51.191 -54.704 102.949 1.00 40.47 C ATOM 98 O ASP A 11 51.058 -55.581 103.777 1.00 39.39 O ATOM 99 CB ASP A 11 53.461 -55.602 102.185 1.00 47.24 C ATOM 100 CG ASP A 11 52.926 -56.525 101.104 1.00 51.90 C ATOM 101 OD1 ASP A 11 51.789 -56.314 100.641 1.00 51.86 O ATOM 102 OD2 ASP A 11 53.697 -57.403 100.677 1.00 55.40 O ATOM 103 H ASP A 11 53.497 -53.941 104.356 1.00 0.00 H ATOM 104 N ILE A 12 50.163 -54.032 102.412 1.00 39.46 N ATOM 105 CA ILE A 12 48.807 -54.120 102.959 1.00 39.47 C ATOM 106 C ILE A 12 48.262 -55.547 102.766 1.00 39.84 C ATOM 107 O ILE A 12 47.501 -56.022 103.592 1.00 38.02 O ATOM 108 CB ILE A 12 47.844 -53.055 102.379 1.00 39.61 C ATOM 109 CG1 ILE A 12 46.584 -52.855 103.242 1.00 38.62 C ATOM 110 CG2 ILE A 12 47.434 -53.403 100.973 1.00 43.51 C ATOM 111 CD1 ILE A 12 46.817 -52.563 104.687 1.00 35.79 C ATOM 112 H ILE A 12 50.333 -53.430 101.581 1.00 0.00 H ATOM 113 N GLN A 13 48.677 -56.261 101.715 1.00 42.90 N ATOM 114 CA GLN A 13 48.181 -57.640 101.487 1.00 46.39 C ATOM 115 C GLN A 13 48.510 -58.546 102.685 1.00 45.96 C ATOM 116 O GLN A 13 47.690 -59.409 103.053 1.00 45.17 O ATOM 117 CB GLN A 13 48.737 -58.212 100.174 1.00 51.16 C ATOM 118 CG GLN A 13 48.355 -57.404 98.934 1.00 52.29 C ATOM 119 CD GLN A 13 46.857 -57.355 98.733 1.00 54.24 C ATOM 120 OE1 GLN A 13 46.132 -58.276 99.114 1.00 54.12 O ATOM 121 NE2 GLN A 13 46.356 -56.264 98.171 1.00 53.78 N ATOM 122 HE22 GLN A 13 46.991 -55.502 97.858 1.00 0.00 H ATOM 123 HE21 GLN A 13 45.328 -56.170 98.043 1.00 0.00 H ATOM 124 H GLN A 13 49.357 -55.844 101.048 1.00 0.00 H ATOM 125 N LYS A 14 49.635 -58.273 103.371 1.00 46.61 N ATOM 126 CA LYS A 14 50.198 -59.113 104.458 1.00 45.65 C ATOM 127 C LYS A 14 49.470 -58.903 105.789 1.00 40.72 C ATOM 128 O LYS A 14 49.732 -59.592 106.757 1.00 39.20 O ATOM 129 CB LYS A 14 51.698 -58.845 104.613 1.00 48.32 C ATOM 130 CG LYS A 14 52.536 -59.308 103.426 1.00 54.11 C ATOM 131 CD LYS A 14 53.890 -59.861 103.793 1.00 58.97 C ATOM 132 CE LYS A 14 54.928 -58.790 104.047 1.00 62.68 C ATOM 133 NZ LYS A 14 56.197 -59.375 104.538 1.00 67.96 N ATOM 134 HZ1 LYS A 14 56.021 -59.884 105.428 1.00 0.00 H ATOM 135 HZ2 LYS A 14 56.570 -60.036 103.827 1.00 0.00 H ATOM 136 HZ3 LYS A 14 56.887 -58.615 104.702 1.00 0.00 H ATOM 137 H LYS A 14 50.151 -57.405 103.120 1.00 0.00 H ATOM 138 N VAL A 15 48.563 -57.927 105.871 1.00 38.29 N ATOM 139 CA VAL A 15 47.786 -57.734 107.101 1.00 34.63 C ATOM 140 C VAL A 15 46.476 -58.529 107.024 1.00 34.72 C ATOM 141 O VAL A 15 45.690 -58.531 107.951 1.00 34.23 O ATOM 142 CB VAL A 15 47.492 -56.259 107.428 1.00 33.20 C ATOM 143 CG1 VAL A 15 48.772 -55.441 107.499 1.00 34.69 C ATOM 144 CG2 VAL A 15 46.471 -55.646 106.493 1.00 34.33 C ATOM 145 H VAL A 15 48.406 -57.299 105.057 1.00 0.00 H ATOM 146 N ALA A 16 46.261 -59.275 105.934 1.00 38.15 N ATOM 147 CA ALA A 16 45.040 -60.059 105.780 1.00 38.23 C ATOM 148 C ALA A 16 44.883 -61.057 106.940 1.00 38.47 C ATOM 149 O ALA A 16 45.872 -61.567 107.523 1.00 38.64 O ATOM 150 CB ALA A 16 45.012 -60.774 104.451 1.00 41.88 C ATOM 151 H ALA A 16 46.979 -59.296 105.182 1.00 0.00 H ATOM 152 N GLY A 17 43.615 -61.329 107.261 1.00 37.01 N ATOM 153 CA GLY A 17 43.273 -62.396 108.194 1.00 37.71 C ATOM 154 C GLY A 17 42.753 -61.925 109.539 1.00 35.44 C ATOM 155 O GLY A 17 42.288 -60.779 109.707 1.00 35.24 O ATOM 156 H GLY A 17 42.852 -60.765 106.834 1.00 0.00 H ATOM 157 N THR A 18 42.872 -62.840 110.507 1.00 34.89 N ATOM 158 CA THR A 18 42.277 -62.678 111.805 1.00 33.87 C ATOM 159 C THR A 18 43.142 -61.762 112.691 1.00 32.30 C ATOM 160 O THR A 18 44.357 -61.827 112.725 1.00 33.28 O ATOM 161 CB THR A 18 41.796 -64.044 112.313 1.00 36.63 C ATOM 162 OG1 THR A 18 42.741 -65.095 112.138 1.00 39.77 O ATOM 163 CG2 THR A 18 40.600 -64.522 111.518 1.00 38.65 C ATOM 164 HG1 THR A 18 42.362 -65.940 112.487 1.00 0.00 H ATOM 165 H THR A 18 43.417 -63.704 110.313 1.00 0.00 H ATOM 166 N TRP A 19 42.456 -60.875 113.412 1.00 30.77 N ATOM 167 CA TRP A 19 43.006 -60.035 114.438 1.00 28.57 C ATOM 168 C TRP A 19 42.039 -59.897 115.611 1.00 27.87 C ATOM 169 O TRP A 19 40.847 -60.020 115.457 1.00 28.05 O ATOM 170 CB TRP A 19 43.292 -58.641 113.884 1.00 29.51 C ATOM 171 CG TRP A 19 44.319 -58.574 112.806 1.00 29.03 C ATOM 172 CD1 TRP A 19 44.107 -58.550 111.461 1.00 31.59 C ATOM 173 CD2 TRP A 19 45.739 -58.431 112.993 1.00 30.08 C ATOM 174 NE1 TRP A 19 45.300 -58.455 110.800 1.00 31.29 N ATOM 175 CE2 TRP A 19 46.320 -58.397 111.713 1.00 30.84 C ATOM 176 CE3 TRP A 19 46.581 -58.389 114.105 1.00 28.90 C ATOM 177 CZ2 TRP A 19 47.697 -58.291 111.523 1.00 33.18 C ATOM 178 CZ3 TRP A 19 47.938 -58.293 113.913 1.00 30.52 C ATOM 179 CH2 TRP A 19 48.496 -58.248 112.637 1.00 31.42 C ATOM 180 HE1 TRP A 19 45.415 -58.431 109.767 1.00 0.00 H ATOM 181 H TRP A 19 41.439 -60.784 113.215 1.00 0.00 H ATOM 182 N TYR A 20 42.635 -59.514 116.741 1.00 27.33 N ATOM 183 CA TYR A 20 42.013 -59.280 118.032 1.00 28.08 C ATOM 184 C TYR A 20 42.382 -57.875 118.520 1.00 27.38 C ATOM 185 O TYR A 20 43.541 -57.506 118.508 1.00 27.82 O ATOM 186 CB TYR A 20 42.582 -60.286 119.040 1.00 27.51 C ATOM 187 CG TYR A 20 42.113 -61.694 118.801 1.00 29.58 C ATOM 188 CD1 TYR A 20 42.742 -62.565 117.913 1.00 32.70 C ATOM 189 CD2 TYR A 20 40.994 -62.149 119.467 1.00 31.61 C ATOM 190 CE1 TYR A 20 42.280 -63.864 117.732 1.00 34.74 C ATOM 191 CE2 TYR A 20 40.543 -63.450 119.300 1.00 34.83 C ATOM 192 CZ TYR A 20 41.152 -64.303 118.395 1.00 36.38 C ATOM 193 OH TYR A 20 40.588 -65.558 118.342 1.00 42.59 O ATOM 194 HH TYR A 20 40.650 -65.984 119.233 1.00 0.00 H ATOM 195 H TYR A 20 43.663 -59.366 116.692 1.00 0.00 H ATOM 196 N SER A 21 41.389 -57.098 118.942 1.00 26.90 N ATOM 197 CA SER A 21 41.659 -55.779 119.518 1.00 24.47 C ATOM 198 C SER A 21 42.090 -55.906 120.993 1.00 23.91 C ATOM 199 O SER A 21 41.268 -55.968 121.894 1.00 23.25 O ATOM 200 CB SER A 21 40.433 -54.915 119.323 1.00 24.47 C ATOM 201 OG SER A 21 40.106 -54.733 117.952 1.00 24.78 O ATOM 202 HG SER A 21 40.864 -54.296 117.488 1.00 0.00 H ATOM 203 H SER A 21 40.407 -57.432 118.862 1.00 0.00 H ATOM 204 N LEU A 22 43.392 -56.106 121.224 1.00 22.91 N ATOM 205 CA LEU A 22 43.882 -56.398 122.558 1.00 22.25 C ATOM 206 C LEU A 22 43.733 -55.145 123.448 1.00 22.19 C ATOM 207 O LEU A 22 43.370 -55.233 124.607 1.00 23.89 O ATOM 208 CB LEU A 22 45.336 -56.857 122.466 1.00 23.95 C ATOM 209 CG LEU A 22 46.100 -57.022 123.775 1.00 24.24 C ATOM 210 CD1 LEU A 22 45.464 -58.069 124.689 1.00 26.84 C ATOM 211 CD2 LEU A 22 47.552 -57.384 123.519 1.00 27.92 C ATOM 212 H LEU A 22 44.065 -56.051 120.433 1.00 0.00 H ATOM 213 N ALA A 23 44.058 -53.974 122.922 1.00 20.93 N ATOM 214 CA ALA A 23 43.934 -52.726 123.673 1.00 21.02 C ATOM 215 C ALA A 23 43.467 -51.589 122.769 1.00 23.29 C ATOM 216 O ALA A 23 43.650 -51.640 121.540 1.00 22.15 O ATOM 217 CB ALA A 23 45.223 -52.379 124.374 1.00 20.30 C ATOM 218 H ALA A 23 44.412 -53.941 121.945 1.00 0.00 H ATOM 219 N MET A 24 42.791 -50.610 123.392 1.00 22.42 N ATOM 220 CA MET A 24 42.342 -49.435 122.659 1.00 24.41 C ATOM 221 C MET A 24 42.507 -48.197 123.524 1.00 22.81 C ATOM 222 O MET A 24 42.483 -48.334 124.761 1.00 22.26 O ATOM 223 CB MET A 24 40.890 -49.537 122.187 1.00 27.90 C ATOM 224 CG MET A 24 40.006 -50.381 123.020 1.00 35.12 C ATOM 225 SD MET A 24 38.317 -50.581 122.388 1.00 33.38 S ATOM 226 CE MET A 24 38.511 -52.149 121.553 1.00 32.93 C ATOM 227 H MET A 24 42.586 -50.692 124.408 1.00 0.00 H ATOM 228 N ALA A 25 42.770 -47.049 122.889 1.00 21.82 N ATOM 229 CA ALA A 25 42.916 -45.802 123.598 1.00 22.94 C ATOM 230 C ALA A 25 42.300 -44.666 122.763 1.00 23.49 C ATOM 231 O ALA A 25 42.256 -44.756 121.512 1.00 22.23 O ATOM 232 CB ALA A 25 44.382 -45.575 123.874 1.00 23.21 C ATOM 233 H ALA A 25 42.872 -47.056 121.854 1.00 0.00 H ATOM 234 N ALA A 26 41.793 -43.615 123.399 1.00 23.18 N ATOM 235 CA ALA A 26 41.150 -42.529 122.699 1.00 24.38 C ATOM 236 C ALA A 26 41.504 -41.193 123.350 1.00 27.84 C ATOM 237 O ALA A 26 41.864 -41.144 124.540 1.00 28.04 O ATOM 238 CB ALA A 26 39.656 -42.713 122.681 1.00 26.38 C ATOM 239 H ALA A 26 41.862 -43.574 124.436 1.00 0.00 H ATOM 240 N SER A 27 41.348 -40.109 122.566 1.00 28.76 N ATOM 241 CA SER A 27 41.658 -38.752 122.975 1.00 31.47 C ATOM 242 C SER A 27 40.626 -38.254 123.982 1.00 33.71 C ATOM 243 O SER A 27 40.952 -37.427 124.769 1.00 35.00 O ATOM 244 CB SER A 27 41.701 -37.822 121.798 1.00 32.28 C ATOM 245 OG SER A 27 40.550 -38.054 120.995 1.00 31.93 O ATOM 246 HG SER A 27 39.735 -37.883 121.531 1.00 0.00 H ATOM 247 H SER A 27 40.981 -40.254 121.604 1.00 0.00 H ATOM 248 N ASP A 28 39.408 -38.788 123.934 1.00 34.56 N ATOM 249 CA ASP A 28 38.301 -38.329 124.715 1.00 37.94 C ATOM 250 C ASP A 28 37.633 -39.566 125.294 1.00 35.52 C ATOM 251 O ASP A 28 37.411 -40.546 124.602 1.00 33.37 O ATOM 252 CB ASP A 28 37.317 -37.502 123.881 1.00 43.51 C ATOM 253 CG ASP A 28 37.962 -36.287 123.221 1.00 47.83 C ATOM 254 OD1 ASP A 28 38.180 -35.288 123.952 1.00 50.44 O ATOM 255 OD2 ASP A 28 38.210 -36.321 121.949 1.00 53.26 O ATOM 256 H ASP A 28 39.251 -39.588 123.289 1.00 0.00 H ATOM 257 N ILE A 29 37.362 -39.522 126.596 1.00 35.30 N ATOM 258 CA ILE A 29 36.831 -40.630 127.374 1.00 35.24 C ATOM 259 C ILE A 29 35.545 -41.134 126.711 1.00 35.87 C ATOM 260 O ILE A 29 35.367 -42.330 126.587 1.00 33.95 O ATOM 261 CB ILE A 29 36.588 -40.207 128.851 1.00 36.97 C ATOM 262 CG1 ILE A 29 37.917 -39.995 129.594 1.00 36.02 C ATOM 263 CG2 ILE A 29 35.649 -41.194 129.530 1.00 37.20 C ATOM 264 CD1 ILE A 29 37.844 -39.295 130.945 1.00 39.56 C ATOM 265 H ILE A 29 37.544 -38.628 127.095 1.00 0.00 H ATOM 266 N SER A 30 34.667 -40.190 126.327 1.00 39.73 N ATOM 267 CA SER A 30 33.332 -40.444 125.769 1.00 41.91 C ATOM 268 C SER A 30 33.409 -41.293 124.485 1.00 40.39 C ATOM 269 O SER A 30 32.428 -41.942 124.130 1.00 42.67 O ATOM 270 CB SER A 30 32.618 -39.113 125.592 1.00 46.62 C ATOM 271 OG SER A 30 33.382 -38.215 124.772 1.00 47.67 O ATOM 272 HG SER A 30 32.892 -37.360 124.676 1.00 0.00 H ATOM 273 H SER A 30 34.958 -39.197 126.434 1.00 0.00 H ATOM 274 N LEU A 31 34.578 -41.396 123.841 1.00 38.01 N ATOM 275 CA LEU A 31 34.736 -42.174 122.564 1.00 37.18 C ATOM 276 C LEU A 31 34.789 -43.687 122.808 1.00 35.40 C ATOM 277 O LEU A 31 34.603 -44.477 121.856 1.00 33.26 O ATOM 278 CB LEU A 31 36.021 -41.751 121.844 1.00 36.62 C ATOM 279 CG LEU A 31 36.009 -40.344 121.248 1.00 39.92 C ATOM 280 CD1 LEU A 31 37.372 -39.973 120.681 1.00 38.65 C ATOM 281 CD2 LEU A 31 34.950 -40.237 120.165 1.00 41.84 C ATOM 282 H LEU A 31 35.411 -40.918 124.240 1.00 0.00 H ATOM 283 N LEU A 32 35.159 -44.091 124.043 1.00 32.55 N ATOM 284 CA LEU A 32 35.324 -45.476 124.412 1.00 31.20 C ATOM 285 C LEU A 32 34.594 -45.869 125.716 1.00 33.43 C ATOM 286 O LEU A 32 34.573 -47.038 125.985 1.00 31.86 O ATOM 287 CB LEU A 32 36.821 -45.766 124.589 1.00 28.25 C ATOM 288 CG LEU A 32 37.710 -45.780 123.350 1.00 27.16 C ATOM 289 CD1 LEU A 32 39.146 -46.167 123.707 1.00 24.77 C ATOM 290 CD2 LEU A 32 37.175 -46.807 122.365 1.00 27.64 C ATOM 291 H LEU A 32 35.334 -43.365 124.766 1.00 0.00 H ATOM 292 N ASP A 33 34.078 -44.924 126.503 1.00 38.84 N ATOM 293 CA ASP A 33 33.607 -45.174 127.923 1.00 43.01 C ATOM 294 C ASP A 33 32.509 -46.254 128.038 1.00 46.77 C ATOM 295 O ASP A 33 32.629 -47.277 128.746 1.00 53.28 O ATOM 296 CB ASP A 33 33.211 -43.842 128.557 1.00 47.44 C ATOM 297 CG ASP A 33 31.959 -43.217 127.973 1.00 52.55 C ATOM 298 OD1 ASP A 33 31.540 -43.645 126.855 1.00 55.83 O ATOM 299 OD2 ASP A 33 31.421 -42.285 128.629 1.00 57.44 O ATOM 300 H ASP A 33 33.994 -43.960 126.121 1.00 0.00 H ATOM 301 N ALA A 34 31.364 -45.981 127.409 1.00 52.51 N ATOM 302 CA ALA A 34 30.230 -46.929 127.301 1.00 54.43 C ATOM 303 C ALA A 34 30.530 -48.040 126.286 1.00 51.47 C ATOM 304 O ALA A 34 31.397 -47.901 125.450 1.00 48.31 O ATOM 305 CB ALA A 34 28.989 -46.157 126.921 1.00 58.66 C ATOM 306 H ALA A 34 31.261 -45.045 126.967 1.00 0.00 H ATOM 307 N GLN A 35 29.803 -49.157 126.383 1.00 51.98 N ATOM 308 CA GLN A 35 29.930 -50.304 125.472 1.00 51.90 C ATOM 309 C GLN A 35 29.401 -49.915 124.081 1.00 50.61 C ATOM 310 O GLN A 35 29.852 -50.480 123.095 1.00 50.81 O ATOM 311 CB GLN A 35 29.227 -51.538 126.066 1.00 56.47 C ATOM 312 CG GLN A 35 29.098 -52.734 125.123 1.00 58.08 C ATOM 313 CD GLN A 35 30.392 -53.414 124.711 1.00 57.19 C ATOM 314 OE1 GLN A 35 31.137 -52.950 123.829 1.00 48.11 O ATOM 315 NE2 GLN A 35 30.665 -54.555 125.337 1.00 49.23 N ATOM 316 HE22 GLN A 35 30.020 -54.914 126.070 1.00 0.00 H ATOM 317 HE21 GLN A 35 31.524 -55.089 125.094 1.00 0.00 H ATOM 318 H GLN A 35 29.104 -49.219 127.151 1.00 0.00 H ATOM 319 N SER A 36 28.452 -48.972 124.007 1.00 52.58 N ATOM 320 CA SER A 36 27.881 -48.466 122.750 1.00 55.04 C ATOM 321 C SER A 36 28.568 -47.176 122.275 1.00 53.69 C ATOM 322 O SER A 36 28.102 -46.561 121.321 1.00 57.92 O ATOM 323 CB SER A 36 26.389 -48.250 122.877 1.00 59.15 C ATOM 324 OG SER A 36 26.123 -47.151 123.721 1.00 61.55 O ATOM 325 HG SER A 36 26.537 -46.336 123.340 1.00 0.00 H ATOM 326 H SER A 36 28.096 -48.571 124.898 1.00 0.00 H ATOM 327 N ALA A 37 29.708 -46.818 122.867 1.00 50.10 N ATOM 328 CA ALA A 37 30.502 -45.646 122.484 1.00 48.53 C ATOM 329 C ALA A 37 30.891 -45.768 121.019 1.00 46.12 C ATOM 330 O ALA A 37 31.263 -46.843 120.562 1.00 42.70 O ATOM 331 CB ALA A 37 31.747 -45.516 123.345 1.00 45.63 C ATOM 332 H ALA A 37 30.056 -47.407 123.650 1.00 0.00 H ATOM 333 N PRO A 38 30.940 -44.635 120.291 1.00 49.35 N ATOM 334 CA PRO A 38 31.060 -44.658 118.833 1.00 49.63 C ATOM 335 C PRO A 38 32.307 -45.372 118.284 1.00 47.28 C ATOM 336 O PRO A 38 32.246 -45.979 117.211 1.00 46.46 O ATOM 337 CB PRO A 38 31.111 -43.162 118.460 1.00 51.72 C ATOM 338 CG PRO A 38 30.482 -42.441 119.624 1.00 53.93 C ATOM 339 CD PRO A 38 30.873 -43.263 120.833 1.00 51.16 C ATOM 340 N LEU A 39 33.441 -45.283 118.994 1.00 44.00 N ATOM 341 CA LEU A 39 34.663 -45.879 118.475 1.00 40.83 C ATOM 342 C LEU A 39 35.045 -47.134 119.258 1.00 36.12 C ATOM 343 O LEU A 39 36.167 -47.639 119.095 1.00 36.19 O ATOM 344 CB LEU A 39 35.797 -44.852 118.500 1.00 40.84 C ATOM 345 CG LEU A 39 35.601 -43.719 117.500 1.00 44.72 C ATOM 346 CD1 LEU A 39 36.679 -42.655 117.642 1.00 47.26 C ATOM 347 CD2 LEU A 39 35.611 -44.303 116.110 1.00 45.71 C ATOM 348 H LEU A 39 33.447 -44.791 119.910 1.00 0.00 H ATOM 349 N ARG A 40 34.131 -47.629 120.097 1.00 38.05 N ATOM 350 CA ARG A 40 34.369 -48.914 120.752 1.00 35.81 C ATOM 351 C ARG A 40 34.012 -50.029 119.756 1.00 34.39 C ATOM 352 O ARG A 40 32.860 -50.468 119.680 1.00 36.48 O ATOM 353 CB ARG A 40 33.517 -49.063 122.007 1.00 38.94 C ATOM 354 CG ARG A 40 33.931 -50.218 122.910 1.00 40.61 C ATOM 355 CD ARG A 40 34.121 -49.692 124.331 1.00 40.60 C ATOM 356 NE ARG A 40 34.164 -50.715 125.368 1.00 40.00 N ATOM 357 CZ ARG A 40 33.885 -50.515 126.643 1.00 40.30 C ATOM 358 NH1 ARG A 40 33.415 -49.361 127.068 1.00 42.91 N ATOM 359 NH2 ARG A 40 34.089 -51.464 127.521 1.00 44.61 N ATOM 360 HE ARG A 40 34.436 -51.677 125.082 1.00 0.00 H ATOM 361 HH12 ARG A 40 33.202 -49.226 128.077 1.00 0.00 H ATOM 362 HH11 ARG A 40 33.256 -48.584 126.395 1.00 0.00 H ATOM 363 HH22 ARG A 40 33.867 -51.301 128.524 1.00 0.00 H ATOM 364 HH21 ARG A 40 34.473 -52.381 127.216 1.00 0.00 H ATOM 365 H ARG A 40 33.254 -47.102 120.283 1.00 0.00 H ATOM 366 N VAL A 41 35.005 -50.451 118.975 1.00 30.04 N ATOM 367 CA VAL A 41 34.809 -51.414 117.909 1.00 30.95 C ATOM 368 C VAL A 41 35.866 -52.500 118.069 1.00 28.30 C ATOM 369 O VAL A 41 36.986 -52.236 118.527 1.00 27.50 O ATOM 370 CB VAL A 41 34.863 -50.786 116.498 1.00 32.61 C ATOM 371 CG1 VAL A 41 33.844 -49.672 116.361 1.00 35.75 C ATOM 372 CG2 VAL A 41 36.243 -50.284 116.131 1.00 31.36 C ATOM 373 H VAL A 41 35.961 -50.074 119.137 1.00 0.00 H ATOM 374 N TYR A 42 35.475 -53.734 117.751 1.00 28.24 N ATOM 375 CA TYR A 42 36.337 -54.875 117.959 1.00 27.98 C ATOM 376 C TYR A 42 36.618 -55.460 116.579 1.00 29.05 C ATOM 377 O TYR A 42 35.676 -55.875 115.921 1.00 32.20 O ATOM 378 CB TYR A 42 35.644 -55.914 118.851 1.00 30.35 C ATOM 379 CG TYR A 42 35.063 -55.310 120.095 1.00 30.34 C ATOM 380 CD1 TYR A 42 35.844 -55.137 121.218 1.00 31.53 C ATOM 381 CD2 TYR A 42 33.772 -54.836 120.126 1.00 33.32 C ATOM 382 CE1 TYR A 42 35.331 -54.581 122.377 1.00 32.05 C ATOM 383 CE2 TYR A 42 33.243 -54.259 121.268 1.00 34.02 C ATOM 384 CZ TYR A 42 34.036 -54.114 122.390 1.00 34.22 C ATOM 385 OH TYR A 42 33.587 -53.536 123.539 1.00 35.46 O ATOM 386 HH TYR A 42 32.815 -54.050 123.886 1.00 0.00 H ATOM 387 H TYR A 42 34.529 -53.879 117.344 1.00 0.00 H ATOM 388 N VAL A 43 37.889 -55.450 116.176 1.00 27.99 N ATOM 389 CA VAL A 43 38.244 -55.936 114.887 1.00 29.76 C ATOM 390 C VAL A 43 38.115 -57.460 114.903 1.00 30.32 C ATOM 391 O VAL A 43 38.516 -58.070 115.869 1.00 29.78 O ATOM 392 CB VAL A 43 39.656 -55.493 114.485 1.00 29.12 C ATOM 393 CG1 VAL A 43 40.082 -56.094 113.154 1.00 30.83 C ATOM 394 CG2 VAL A 43 39.722 -53.987 114.419 1.00 28.65 C ATOM 395 H VAL A 43 38.628 -55.084 116.810 1.00 0.00 H ATOM 396 N GLU A 44 37.626 -58.020 113.789 1.00 32.43 N ATOM 397 CA GLU A 44 37.510 -59.456 113.546 1.00 36.08 C ATOM 398 C GLU A 44 38.523 -59.839 112.443 1.00 36.98 C ATOM 399 O GLU A 44 39.317 -60.793 112.592 1.00 36.82 O ATOM 400 CB GLU A 44 36.047 -59.768 113.199 1.00 40.26 C ATOM 401 CG GLU A 44 35.721 -61.195 112.767 1.00 46.50 C ATOM 402 CD GLU A 44 34.403 -61.481 112.023 1.00 53.06 C ATOM 403 OE1 GLU A 44 33.442 -60.691 112.154 1.00 58.28 O ATOM 404 OE2 GLU A 44 34.304 -62.496 111.269 1.00 54.94 O ATOM 405 H GLU A 44 37.302 -57.380 113.035 1.00 0.00 H ATOM 406 N GLU A 45 38.453 -59.171 111.288 1.00 34.89 N ATOM 407 CA GLU A 45 39.233 -59.641 110.167 1.00 37.47 C ATOM 408 C GLU A 45 39.524 -58.460 109.245 1.00 37.08 C ATOM 409 O GLU A 45 38.662 -57.593 109.065 1.00 37.14 O ATOM 410 CB GLU A 45 38.455 -60.775 109.476 1.00 42.46 C ATOM 411 CG GLU A 45 39.076 -61.240 108.161 1.00 46.87 C ATOM 412 CD GLU A 45 38.302 -62.350 107.460 1.00 52.04 C ATOM 413 OE1 GLU A 45 37.353 -62.883 108.073 1.00 52.23 O ATOM 414 OE2 GLU A 45 38.619 -62.625 106.288 1.00 54.77 O ATOM 415 H GLU A 45 37.849 -58.329 111.198 1.00 0.00 H ATOM 416 N LEU A 46 40.735 -58.468 108.680 1.00 35.89 N ATOM 417 CA LEU A 46 41.138 -57.533 107.629 1.00 37.07 C ATOM 418 C LEU A 46 41.218 -58.277 106.292 1.00 39.71 C ATOM 419 O LEU A 46 41.809 -59.363 106.200 1.00 38.68 O ATOM 420 CB LEU A 46 42.491 -56.914 107.970 1.00 35.36 C ATOM 421 CG LEU A 46 42.518 -56.146 109.288 1.00 34.36 C ATOM 422 CD1 LEU A 46 43.869 -55.466 109.518 1.00 33.67 C ATOM 423 CD2 LEU A 46 41.363 -55.148 109.315 1.00 35.44 C ATOM 424 H LEU A 46 41.426 -59.175 109.004 1.00 0.00 H ATOM 425 N LYS A 47 40.604 -57.656 105.282 1.00 41.79 N ATOM 426 CA LYS A 47 40.445 -58.223 103.952 1.00 47.51 C ATOM 427 C LYS A 47 40.863 -57.186 102.909 1.00 46.77 C ATOM 428 O LYS A 47 40.057 -56.431 102.361 1.00 45.84 O ATOM 429 CB LYS A 47 38.998 -58.688 103.801 1.00 52.74 C ATOM 430 CG LYS A 47 38.595 -59.718 104.854 1.00 54.20 C ATOM 431 CD LYS A 47 37.121 -60.120 104.829 1.00 60.06 C ATOM 432 CE LYS A 47 36.719 -60.887 103.598 1.00 65.89 C ATOM 433 NZ LYS A 47 35.392 -61.524 103.796 1.00 72.01 N ATOM 434 HZ1 LYS A 47 35.440 -62.178 104.603 1.00 0.00 H ATOM 435 HZ2 LYS A 47 34.681 -60.789 103.985 1.00 0.00 H ATOM 436 HZ3 LYS A 47 35.129 -62.049 102.938 1.00 0.00 H ATOM 437 H LYS A 47 40.215 -56.708 105.457 1.00 0.00 H ATOM 438 N PRO A 48 42.183 -57.099 102.655 1.00 46.10 N ATOM 439 CA PRO A 48 42.713 -56.254 101.586 1.00 46.65 C ATOM 440 C PRO A 48 42.207 -56.707 100.209 1.00 49.77 C ATOM 441 O PRO A 48 42.091 -57.903 99.974 1.00 49.70 O ATOM 442 CB PRO A 48 44.241 -56.368 101.671 1.00 45.22 C ATOM 443 CG PRO A 48 44.545 -57.402 102.718 1.00 44.83 C ATOM 444 CD PRO A 48 43.248 -57.756 103.430 1.00 45.23 C ATOM 445 N THR A 49 41.866 -55.748 99.343 1.00 49.91 N ATOM 446 CA THR A 49 41.387 -56.094 98.012 1.00 56.09 C ATOM 447 C THR A 49 42.601 -56.133 97.091 1.00 58.08 C ATOM 448 O THR A 49 43.636 -55.576 97.458 1.00 57.67 O ATOM 449 CB THR A 49 40.339 -55.088 97.520 1.00 57.60 C ATOM 450 OG1 THR A 49 40.963 -53.824 97.287 1.00 57.67 O ATOM 451 CG2 THR A 49 39.225 -54.890 98.521 1.00 56.56 C ATOM 452 HG1 THR A 49 41.366 -53.496 98.130 1.00 0.00 H ATOM 453 H THR A 49 41.943 -54.749 99.621 1.00 0.00 H ATOM 454 N PRO A 50 42.510 -56.754 95.893 1.00 62.53 N ATOM 455 CA PRO A 50 43.591 -56.699 94.902 1.00 65.46 C ATOM 456 C PRO A 50 44.080 -55.286 94.530 1.00 64.47 C ATOM 457 O PRO A 50 45.296 -55.053 94.418 1.00 62.59 O ATOM 458 CB PRO A 50 42.992 -57.379 93.659 1.00 70.33 C ATOM 459 CG PRO A 50 41.906 -58.291 94.211 1.00 70.23 C ATOM 460 CD PRO A 50 41.362 -57.552 95.418 1.00 66.37 C ATOM 461 N GLU A 51 43.149 -54.322 94.515 1.00 64.55 N ATOM 462 CA GLU A 51 43.468 -52.922 94.166 1.00 64.00 C ATOM 463 C GLU A 51 44.138 -52.214 95.355 1.00 58.67 C ATOM 464 O GLU A 51 44.643 -51.114 95.198 1.00 58.47 O ATOM 465 CB GLU A 51 42.229 -52.107 93.777 1.00 65.71 C ATOM 466 CG GLU A 51 41.464 -52.621 92.573 1.00 71.83 C ATOM 467 CD GLU A 51 40.515 -53.786 92.825 1.00 74.48 C ATOM 468 OE1 GLU A 51 40.242 -54.147 93.991 1.00 70.52 O ATOM 469 OE2 GLU A 51 40.100 -54.396 91.834 1.00 81.10 O ATOM 470 H GLU A 51 42.168 -54.568 94.757 1.00 0.00 H ATOM 471 N GLY A 52 44.093 -52.793 96.555 1.00 54.70 N ATOM 472 CA GLY A 52 44.834 -52.263 97.697 1.00 50.34 C ATOM 473 C GLY A 52 43.985 -51.485 98.693 1.00 46.80 C ATOM 474 O GLY A 52 44.554 -50.822 99.553 1.00 43.15 O ATOM 475 H GLY A 52 43.513 -53.647 96.682 1.00 0.00 H ATOM 476 N ASP A 53 42.660 -51.468 98.503 1.00 46.91 N ATOM 477 CA ASP A 53 41.685 -51.053 99.504 1.00 45.42 C ATOM 478 C ASP A 53 41.629 -52.066 100.651 1.00 44.09 C ATOM 479 O ASP A 53 42.115 -53.171 100.541 1.00 44.65 O ATOM 480 CB ASP A 53 40.289 -50.862 98.904 1.00 46.35 C ATOM 481 CG ASP A 53 40.191 -49.649 98.002 1.00 48.48 C ATOM 482 OD1 ASP A 53 41.029 -48.727 98.139 1.00 45.30 O ATOM 483 OD2 ASP A 53 39.387 -49.707 97.033 1.00 51.39 O ATOM 484 H ASP A 53 42.301 -51.772 97.576 1.00 0.00 H ATOM 485 N LEU A 54 41.060 -51.655 101.789 1.00 43.90 N ATOM 486 CA LEU A 54 41.056 -52.503 102.989 1.00 44.97 C ATOM 487 C LEU A 54 39.612 -52.664 103.472 1.00 45.66 C ATOM 488 O LEU A 54 39.014 -51.712 103.994 1.00 47.87 O ATOM 489 CB LEU A 54 41.943 -51.874 104.067 1.00 42.98 C ATOM 490 CG LEU A 54 42.143 -52.681 105.344 1.00 42.57 C ATOM 491 CD1 LEU A 54 42.818 -54.006 105.016 1.00 44.47 C ATOM 492 CD2 LEU A 54 42.955 -51.869 106.342 1.00 42.28 C ATOM 493 H LEU A 54 40.612 -50.717 101.826 1.00 0.00 H ATOM 494 N GLU A 55 39.085 -53.880 103.345 1.00 45.26 N ATOM 495 CA GLU A 55 37.791 -54.211 103.918 1.00 47.25 C ATOM 496 C GLU A 55 37.966 -54.713 105.363 1.00 44.69 C ATOM 497 O GLU A 55 38.827 -55.568 105.658 1.00 43.99 O ATOM 498 CB GLU A 55 37.108 -55.236 103.018 1.00 55.36 C ATOM 499 CG GLU A 55 35.729 -55.646 103.503 1.00 61.52 C ATOM 500 CD GLU A 55 35.054 -56.598 102.525 1.00 67.43 C ATOM 501 OE1 GLU A 55 35.214 -56.376 101.308 1.00 72.17 O ATOM 502 OE2 GLU A 55 34.433 -57.580 102.984 1.00 72.91 O ATOM 503 H GLU A 55 39.611 -54.610 102.824 1.00 0.00 H ATOM 504 N ILE A 56 37.142 -54.159 106.263 1.00 40.15 N ATOM 505 CA ILE A 56 37.264 -54.441 107.694 1.00 38.40 C ATOM 506 C ILE A 56 35.963 -55.084 108.204 1.00 38.91 C ATOM 507 O ILE A 56 34.886 -54.531 108.029 1.00 39.81 O ATOM 508 CB ILE A 56 37.619 -53.167 108.483 1.00 35.36 C ATOM 509 CG1 ILE A 56 38.879 -52.485 107.935 1.00 35.04 C ATOM 510 CG2 ILE A 56 37.755 -53.546 109.953 1.00 33.56 C ATOM 511 CD1 ILE A 56 38.817 -50.989 107.963 1.00 35.15 C ATOM 512 H ILE A 56 36.396 -53.512 105.936 1.00 0.00 H ATOM 513 N LEU A 57 36.095 -56.263 108.819 1.00 38.98 N ATOM 514 CA LEU A 57 35.014 -56.920 109.544 1.00 40.57 C ATOM 515 C LEU A 57 35.194 -56.613 111.035 1.00 36.57 C ATOM 516 O LEU A 57 36.247 -56.841 111.614 1.00 32.43 O ATOM 517 CB LEU A 57 35.060 -58.433 109.330 1.00 42.75 C ATOM 518 CG LEU A 57 34.198 -58.936 108.191 1.00 49.45 C ATOM 519 CD1 LEU A 57 34.581 -58.261 106.906 1.00 51.56 C ATOM 520 CD2 LEU A 57 34.294 -60.452 108.063 1.00 52.32 C ATOM 521 H LEU A 57 37.019 -56.738 108.778 1.00 0.00 H ATOM 522 N LEU A 58 34.129 -56.140 111.673 1.00 37.74 N ATOM 523 CA LEU A 58 34.279 -55.825 113.101 1.00 37.39 C ATOM 524 C LEU A 58 32.931 -56.005 113.792 1.00 39.66 C ATOM 525 O LEU A 58 31.896 -56.112 113.149 1.00 41.19 O ATOM 526 CB LEU A 58 34.794 -54.402 113.315 1.00 36.06 C ATOM 527 CG LEU A 58 34.034 -53.261 112.638 1.00 39.02 C ATOM 528 CD1 LEU A 58 32.870 -52.768 113.474 1.00 41.23 C ATOM 529 CD2 LEU A 58 34.984 -52.103 112.402 1.00 39.39 C ATOM 530 H LEU A 58 33.224 -55.998 111.181 1.00 0.00 H ATOM 531 N GLN A 59 33.012 -56.014 115.114 1.00 37.42 N ATOM 532 CA GLN A 59 31.840 -56.037 115.965 1.00 42.71 C ATOM 533 C GLN A 59 31.716 -54.673 116.644 1.00 42.16 C ATOM 534 O GLN A 59 32.724 -54.038 116.966 1.00 37.94 O ATOM 535 CB GLN A 59 31.942 -57.152 117.013 1.00 45.32 C ATOM 536 CG GLN A 59 31.869 -58.561 116.420 1.00 50.61 C ATOM 537 CD GLN A 59 33.142 -58.919 115.691 1.00 52.90 C ATOM 538 OE1 GLN A 59 34.226 -58.503 116.082 1.00 61.40 O ATOM 539 NE2 GLN A 59 33.027 -59.626 114.567 1.00 61.60 N ATOM 540 HE22 GLN A 59 32.093 -59.966 114.260 1.00 0.00 H ATOM 541 HE21 GLN A 59 33.871 -59.838 113.997 1.00 0.00 H ATOM 542 H GLN A 59 33.953 -56.004 115.558 1.00 0.00 H ATOM 543 N LYS A 60 30.471 -54.235 116.840 1.00 46.97 N ATOM 544 CA LYS A 60 30.207 -53.052 117.624 1.00 51.10 C ATOM 545 C LYS A 60 28.902 -53.274 118.385 1.00 53.37 C ATOM 546 O LYS A 60 27.963 -53.837 117.840 1.00 61.32 O ATOM 547 CB LYS A 60 30.145 -51.808 116.728 1.00 54.17 C ATOM 548 CG LYS A 60 29.495 -50.601 117.388 1.00 58.55 C ATOM 549 CD LYS A 60 29.804 -49.246 116.776 1.00 61.58 C ATOM 550 CE LYS A 60 29.151 -48.134 117.575 1.00 66.70 C ATOM 551 NZ LYS A 60 29.363 -48.286 119.042 1.00 63.77 N ATOM 552 HZ1 LYS A 60 28.957 -49.190 119.358 1.00 0.00 H ATOM 553 HZ2 LYS A 60 30.383 -48.273 119.247 1.00 0.00 H ATOM 554 HZ3 LYS A 60 28.897 -47.502 119.541 1.00 0.00 H ATOM 555 H LYS A 60 29.675 -54.756 116.420 1.00 0.00 H ATOM 556 N TRP A 61 28.838 -52.767 119.612 1.00 53.78 N ATOM 557 CA TRP A 61 27.621 -52.844 120.395 1.00 56.68 C ATOM 558 C TRP A 61 26.688 -51.716 119.964 1.00 58.64 C ATOM 559 O TRP A 61 27.049 -50.561 120.080 1.00 56.07 O ATOM 560 CB TRP A 61 27.924 -52.760 121.890 1.00 58.68 C ATOM 561 CG TRP A 61 26.761 -53.135 122.751 1.00 64.15 C ATOM 562 CD1 TRP A 61 25.796 -52.303 123.237 1.00 68.56 C ATOM 563 CD2 TRP A 61 26.448 -54.452 123.238 1.00 66.71 C ATOM 564 NE1 TRP A 61 24.892 -53.017 123.973 1.00 72.34 N ATOM 565 CE2 TRP A 61 25.266 -54.337 123.998 1.00 71.61 C ATOM 566 CE3 TRP A 61 27.049 -55.709 123.107 1.00 65.34 C ATOM 567 CZ2 TRP A 61 24.675 -55.439 124.621 1.00 74.65 C ATOM 568 CZ3 TRP A 61 26.462 -56.795 123.717 1.00 69.32 C ATOM 569 CH2 TRP A 61 25.287 -56.663 124.459 1.00 72.00 C ATOM 570 HE1 TRP A 61 24.052 -52.621 124.441 1.00 0.00 H ATOM 571 H TRP A 61 29.677 -52.306 120.018 1.00 0.00 H ATOM 572 N GLU A 62 25.511 -52.089 119.457 1.00 63.81 N ATOM 573 CA GLU A 62 24.477 -51.149 119.027 1.00 68.98 C ATOM 574 C GLU A 62 23.086 -51.666 119.388 1.00 72.43 C ATOM 575 O GLU A 62 22.721 -52.758 118.952 1.00 74.28 O ATOM 576 CB GLU A 62 24.524 -50.956 117.512 1.00 69.92 C ATOM 577 CG GLU A 62 25.440 -49.812 117.139 1.00 68.16 C ATOM 578 CD GLU A 62 25.542 -49.594 115.650 1.00 70.41 C ATOM 579 OE1 GLU A 62 24.771 -50.257 114.929 1.00 73.92 O ATOM 580 OE2 GLU A 62 26.398 -48.787 115.233 1.00 69.40 O ATOM 581 H GLU A 62 25.318 -53.107 119.362 1.00 0.00 H ATOM 582 N ASN A 63 22.331 -50.837 120.116 1.00 75.74 N ATOM 583 CA ASN A 63 20.959 -51.134 120.533 1.00 81.60 C ATOM 584 C ASN A 63 20.879 -52.463 121.301 1.00 81.83 C ATOM 585 O ASN A 63 20.202 -53.401 120.871 1.00 83.44 O ATOM 586 CB ASN A 63 20.017 -51.172 119.330 1.00 87.11 C ATOM 587 CG ASN A 63 19.664 -49.793 118.823 1.00 89.46 C ATOM 588 OD1 ASN A 63 20.274 -49.320 117.868 1.00 88.56 O ATOM 589 ND2 ASN A 63 18.674 -49.170 119.444 1.00 92.81 N ATOM 590 HD22 ASN A 63 18.196 -49.625 120.248 1.00 0.00 H ATOM 591 HD21 ASN A 63 18.374 -48.226 119.128 1.00 0.00 H ATOM 592 H ASN A 63 22.743 -49.926 120.403 1.00 0.00 H ATOM 593 N GLY A 64 21.575 -52.539 122.442 1.00 79.58 N ATOM 594 CA GLY A 64 21.498 -53.683 123.360 1.00 80.01 C ATOM 595 C GLY A 64 21.894 -55.013 122.727 1.00 78.68 C ATOM 596 O GLY A 64 21.409 -56.065 123.152 1.00 83.71 O ATOM 597 H GLY A 64 22.202 -51.748 122.691 1.00 0.00 H ATOM 598 N GLU A 65 22.771 -54.996 121.716 1.00 73.15 N ATOM 599 CA GLU A 65 23.295 -56.230 121.142 1.00 70.66 C ATOM 600 C GLU A 65 24.609 -55.962 120.398 1.00 65.12 C ATOM 601 O GLU A 65 24.915 -54.848 120.006 1.00 64.15 O ATOM 602 CB GLU A 65 22.290 -56.902 120.205 1.00 76.57 C ATOM 603 CG GLU A 65 21.901 -56.089 118.983 1.00 79.12 C ATOM 604 CD GLU A 65 21.457 -56.956 117.817 1.00 82.01 C ATOM 605 OE1 GLU A 65 20.563 -57.816 118.033 1.00 84.77 O ATOM 606 OE2 GLU A 65 22.049 -56.800 116.717 1.00 81.46 O ATOM 607 H GLU A 65 23.086 -54.082 121.331 1.00 0.00 H ATOM 608 N CYS A 66 25.384 -57.032 120.231 1.00 60.48 N ATOM 609 CA CYS A 66 26.641 -57.004 119.573 1.00 56.46 C ATOM 610 C CYS A 66 26.345 -57.257 118.106 1.00 57.39 C ATOM 611 O CYS A 66 25.863 -58.326 117.781 1.00 61.22 O ATOM 612 CB CYS A 66 27.531 -58.102 120.137 1.00 54.58 C ATOM 613 SG CYS A 66 29.219 -58.077 119.500 1.00 48.93 S ATOM 614 H CYS A 66 25.048 -57.942 120.605 1.00 0.00 H ATOM 615 N ALA A 67 26.605 -56.248 117.275 1.00 55.55 N ATOM 616 CA ALA A 67 26.264 -56.279 115.860 1.00 58.57 C ATOM 617 C ALA A 67 27.542 -56.305 115.035 1.00 55.56 C ATOM 618 O ALA A 67 28.501 -55.638 115.316 1.00 50.95 O ATOM 619 CB ALA A 67 25.427 -55.090 115.468 1.00 61.25 C ATOM 620 H ALA A 67 27.073 -55.400 117.655 1.00 0.00 H ATOM 621 N GLN A 68 27.488 -57.071 113.964 1.00 58.48 N ATOM 622 CA GLN A 68 28.595 -57.220 113.068 1.00 59.86 C ATOM 623 C GLN A 68 28.652 -56.011 112.139 1.00 60.20 C ATOM 624 O GLN A 68 27.621 -55.501 111.780 1.00 63.36 O ATOM 625 CB GLN A 68 28.272 -58.462 112.252 1.00 65.45 C ATOM 626 CG GLN A 68 28.069 -59.684 113.139 1.00 68.96 C ATOM 627 CD GLN A 68 29.412 -60.133 113.652 1.00 65.71 C ATOM 628 OE1 GLN A 68 30.395 -60.075 112.921 1.00 67.35 O ATOM 629 NE2 GLN A 68 29.475 -60.493 114.923 1.00 65.51 N ATOM 630 HE22 GLN A 68 28.609 -60.525 115.498 1.00 0.00 H ATOM 631 HE21 GLN A 68 30.391 -60.744 115.348 1.00 0.00 H ATOM 632 H GLN A 68 26.608 -57.587 113.762 1.00 0.00 H ATOM 633 N LYS A 69 29.821 -55.610 111.647 1.00 59.28 N ATOM 634 CA LYS A 69 29.772 -54.565 110.638 1.00 58.79 C ATOM 635 C LYS A 69 30.872 -54.841 109.622 1.00 55.03 C ATOM 636 O LYS A 69 31.859 -55.450 109.970 1.00 49.09 O ATOM 637 CB LYS A 69 29.936 -53.183 111.275 1.00 59.81 C ATOM 638 CG LYS A 69 28.767 -52.686 112.112 1.00 65.48 C ATOM 639 CD LYS A 69 28.826 -51.214 112.475 1.00 66.90 C ATOM 640 CE LYS A 69 27.728 -50.817 113.447 1.00 70.86 C ATOM 641 NZ LYS A 69 26.380 -50.866 112.828 1.00 77.20 N ATOM 642 HZ1 LYS A 69 26.347 -50.212 112.020 1.00 0.00 H ATOM 643 HZ2 LYS A 69 26.185 -51.834 112.500 1.00 0.00 H ATOM 644 HZ3 LYS A 69 25.667 -50.587 113.531 1.00 0.00 H ATOM 645 H LYS A 69 30.721 -56.022 111.967 1.00 0.00 H ATOM 646 N LYS A 70 30.665 -54.391 108.381 1.00 57.81 N ATOM 647 CA LYS A 70 31.677 -54.414 107.335 1.00 58.10 C ATOM 648 C LYS A 70 31.957 -52.958 106.958 1.00 56.79 C ATOM 649 O LYS A 70 31.028 -52.199 106.765 1.00 60.61 O ATOM 650 CB LYS A 70 31.187 -55.219 106.129 1.00 63.44 C ATOM 651 CG LYS A 70 32.219 -55.482 105.044 1.00 64.36 C ATOM 652 CD LYS A 70 31.633 -56.221 103.834 1.00 72.97 C ATOM 653 CE LYS A 70 31.378 -57.682 104.148 1.00 76.10 C ATOM 654 NZ LYS A 70 30.751 -58.405 103.018 1.00 83.10 N ATOM 655 HZ1 LYS A 70 29.838 -57.963 102.789 1.00 0.00 H ATOM 656 HZ2 LYS A 70 31.377 -58.360 102.189 1.00 0.00 H ATOM 657 HZ3 LYS A 70 30.599 -59.398 103.285 1.00 0.00 H ATOM 658 H LYS A 70 29.728 -54.003 108.149 1.00 0.00 H ATOM 659 N ILE A 71 33.235 -52.574 106.934 1.00 55.56 N ATOM 660 CA ILE A 71 33.683 -51.208 106.639 1.00 56.42 C ATOM 661 C ILE A 71 34.675 -51.287 105.473 1.00 52.33 C ATOM 662 O ILE A 71 35.523 -52.173 105.453 1.00 50.53 O ATOM 663 CB ILE A 71 34.357 -50.549 107.865 1.00 57.09 C ATOM 664 CG1 ILE A 71 33.472 -50.565 109.110 1.00 62.84 C ATOM 665 CG2 ILE A 71 34.797 -49.127 107.556 1.00 58.39 C ATOM 666 CD1 ILE A 71 32.188 -49.774 108.968 1.00 67.59 C ATOM 667 H ILE A 71 33.961 -53.290 107.138 1.00 0.00 H ATOM 668 N ILE A 72 34.626 -50.320 104.555 1.00 51.21 N ATOM 669 CA ILE A 72 35.674 -50.209 103.539 1.00 52.03 C ATOM 670 C ILE A 72 36.541 -48.966 103.796 1.00 47.84 C ATOM 671 O ILE A 72 36.041 -47.849 103.932 1.00 47.60 O ATOM 672 CB ILE A 72 35.068 -50.210 102.125 1.00 56.96 C ATOM 673 CG1 ILE A 72 34.098 -51.382 101.925 1.00 62.72 C ATOM 674 CG2 ILE A 72 36.161 -50.183 101.070 1.00 57.60 C ATOM 675 CD1 ILE A 72 34.720 -52.725 101.547 1.00 63.80 C ATOM 676 H ILE A 72 33.838 -49.641 104.561 1.00 0.00 H ATOM 677 N ALA A 73 37.847 -49.198 103.967 1.00 43.63 N ATOM 678 CA ALA A 73 38.843 -48.158 104.013 1.00 40.90 C ATOM 679 C ALA A 73 39.555 -48.065 102.660 1.00 42.34 C ATOM 680 O ALA A 73 40.282 -48.971 102.245 1.00 41.84 O ATOM 681 CB ALA A 73 39.826 -48.441 105.118 1.00 38.68 C ATOM 682 H ALA A 73 38.161 -50.184 104.073 1.00 0.00 H ATOM 683 N GLU A 74 39.297 -46.980 101.926 1.00 43.88 N ATOM 684 CA GLU A 74 39.915 -46.772 100.628 1.00 45.82 C ATOM 685 C GLU A 74 41.383 -46.342 100.766 1.00 42.99 C ATOM 686 O GLU A 74 41.760 -45.510 101.580 1.00 39.28 O ATOM 687 CB GLU A 74 39.112 -45.743 99.837 1.00 50.71 C ATOM 688 CG GLU A 74 37.725 -46.248 99.471 1.00 56.35 C ATOM 689 CD GLU A 74 36.907 -45.188 98.763 1.00 62.01 C ATOM 690 OE1 GLU A 74 36.950 -44.036 99.216 1.00 65.48 O ATOM 691 OE2 GLU A 74 36.321 -45.485 97.713 1.00 72.71 O ATOM 692 H GLU A 74 38.637 -46.265 102.293 1.00 0.00 H ATOM 693 N LYS A 75 42.223 -46.843 99.862 1.00 45.18 N ATOM 694 CA LYS A 75 43.633 -46.472 99.851 1.00 43.70 C ATOM 695 C LYS A 75 43.811 -44.999 99.481 1.00 43.38 C ATOM 696 O LYS A 75 42.929 -44.373 98.875 1.00 43.48 O ATOM 697 CB LYS A 75 44.400 -47.332 98.855 1.00 45.87 C ATOM 698 CG LYS A 75 44.027 -47.074 97.414 1.00 50.47 C ATOM 699 CD LYS A 75 44.915 -47.865 96.506 1.00 53.29 C ATOM 700 CE LYS A 75 44.879 -47.363 95.078 1.00 58.02 C ATOM 701 NZ LYS A 75 45.262 -48.480 94.193 1.00 61.25 N ATOM 702 HZ1 LYS A 75 46.220 -48.802 94.438 1.00 0.00 H ATOM 703 HZ2 LYS A 75 44.590 -49.264 94.316 1.00 0.00 H ATOM 704 HZ3 LYS A 75 45.245 -48.159 93.204 1.00 0.00 H ATOM 705 H LYS A 75 41.866 -47.512 99.150 1.00 0.00 H ATOM 706 N THR A 76 44.962 -44.467 99.919 1.00 41.98 N ATOM 707 CA THR A 76 45.476 -43.167 99.468 1.00 43.46 C ATOM 708 C THR A 76 46.795 -43.362 98.700 1.00 44.21 C ATOM 709 O THR A 76 47.332 -44.483 98.613 1.00 42.77 O ATOM 710 CB THR A 76 45.625 -42.227 100.680 1.00 41.31 C ATOM 711 OG1 THR A 76 46.618 -42.746 101.562 1.00 37.79 O ATOM 712 CG2 THR A 76 44.315 -42.075 101.410 1.00 40.68 C ATOM 713 HG1 THR A 76 46.345 -43.646 101.872 1.00 0.00 H ATOM 714 H THR A 76 45.520 -45.003 100.614 1.00 0.00 H ATOM 715 N LYS A 77 47.421 -42.228 98.389 1.00 46.31 N ATOM 716 CA LYS A 77 48.772 -42.188 97.862 1.00 49.51 C ATOM 717 C LYS A 77 49.839 -42.578 98.892 1.00 46.76 C ATOM 718 O LYS A 77 50.963 -42.912 98.541 1.00 46.45 O ATOM 719 CB LYS A 77 49.053 -40.774 97.371 1.00 53.25 C ATOM 720 CG LYS A 77 48.274 -40.401 96.118 1.00 60.12 C ATOM 721 CD LYS A 77 48.519 -38.963 95.703 1.00 66.10 C ATOM 722 CE LYS A 77 48.366 -37.930 96.811 1.00 68.97 C ATOM 723 NZ LYS A 77 49.029 -36.650 96.443 1.00 73.41 N ATOM 724 HZ1 LYS A 77 50.042 -36.820 96.282 1.00 0.00 H ATOM 725 HZ2 LYS A 77 48.597 -36.274 95.575 1.00 0.00 H ATOM 726 HZ3 LYS A 77 48.909 -35.964 97.216 1.00 0.00 H ATOM 727 H LYS A 77 46.918 -41.329 98.531 1.00 0.00 H ATOM 728 N ILE A 78 49.478 -42.581 100.177 1.00 43.77 N ATOM 729 CA ILE A 78 50.380 -43.033 101.213 1.00 41.61 C ATOM 730 C ILE A 78 49.966 -44.445 101.567 1.00 39.32 C ATOM 731 O ILE A 78 48.874 -44.640 102.085 1.00 40.23 O ATOM 732 CB ILE A 78 50.343 -42.095 102.441 1.00 40.50 C ATOM 733 CG1 ILE A 78 50.621 -40.647 102.027 1.00 44.17 C ATOM 734 CG2 ILE A 78 51.274 -42.616 103.541 1.00 38.14 C ATOM 735 CD1 ILE A 78 50.116 -39.639 103.041 1.00 45.00 C ATOM 736 H ILE A 78 48.527 -42.251 100.439 1.00 0.00 H ATOM 737 N PRO A 79 50.860 -45.435 101.386 1.00 39.39 N ATOM 738 CA PRO A 79 50.529 -46.827 101.691 1.00 38.81 C ATOM 739 C PRO A 79 49.981 -47.095 103.103 1.00 35.78 C ATOM 740 O PRO A 79 49.144 -47.946 103.349 1.00 34.95 O ATOM 741 CB PRO A 79 51.905 -47.496 101.593 1.00 40.37 C ATOM 742 CG PRO A 79 52.622 -46.696 100.575 1.00 43.15 C ATOM 743 CD PRO A 79 52.230 -45.266 100.882 1.00 42.20 C ATOM 744 N ALA A 80 50.472 -46.357 104.098 1.00 35.79 N ATOM 745 CA ALA A 80 50.050 -46.631 105.470 1.00 32.51 C ATOM 746 C ALA A 80 48.741 -45.909 105.849 1.00 31.38 C ATOM 747 O ALA A 80 48.353 -45.918 106.999 1.00 31.88 O ATOM 748 CB ALA A 80 51.203 -46.236 106.365 1.00 32.94 C ATOM 749 H ALA A 80 51.149 -45.593 103.900 1.00 0.00 H ATOM 750 N VAL A 81 48.161 -45.097 104.964 1.00 33.17 N ATOM 751 CA VAL A 81 47.006 -44.257 105.285 1.00 33.07 C ATOM 752 C VAL A 81 45.818 -44.564 104.365 1.00 33.80 C ATOM 753 O VAL A 81 45.981 -44.520 103.121 1.00 36.56 O ATOM 754 CB VAL A 81 47.374 -42.772 105.183 1.00 34.43 C ATOM 755 CG1 VAL A 81 46.139 -41.901 105.335 1.00 35.49 C ATOM 756 CG2 VAL A 81 48.434 -42.376 106.211 1.00 34.20 C ATOM 757 H VAL A 81 48.548 -45.059 103.999 1.00 0.00 H ATOM 758 N PHE A 82 44.645 -44.754 104.974 1.00 32.29 N ATOM 759 CA PHE A 82 43.379 -45.103 104.289 1.00 34.55 C ATOM 760 C PHE A 82 42.284 -44.145 104.759 1.00 37.31 C ATOM 761 O PHE A 82 42.436 -43.464 105.783 1.00 36.67 O ATOM 762 CB PHE A 82 42.959 -46.543 104.571 1.00 33.07 C ATOM 763 CG PHE A 82 43.964 -47.577 104.145 1.00 33.34 C ATOM 764 CD1 PHE A 82 45.102 -47.795 104.898 1.00 32.94 C ATOM 765 CD2 PHE A 82 43.792 -48.308 102.981 1.00 36.62 C ATOM 766 CE1 PHE A 82 46.074 -48.672 104.445 1.00 33.85 C ATOM 767 CE2 PHE A 82 44.752 -49.210 102.539 1.00 36.91 C ATOM 768 CZ PHE A 82 45.878 -49.417 103.304 1.00 35.32 C ATOM 769 H PHE A 82 44.618 -44.649 106.008 1.00 0.00 H ATOM 770 N LYS A 83 41.212 -44.033 103.986 1.00 39.84 N ATOM 771 CA LYS A 83 40.119 -43.141 104.277 1.00 44.92 C ATOM 772 C LYS A 83 38.853 -43.995 104.338 1.00 48.06 C ATOM 773 O LYS A 83 38.603 -44.779 103.414 1.00 48.79 O ATOM 774 CB LYS A 83 39.939 -42.058 103.205 1.00 50.45 C ATOM 775 CG LYS A 83 41.002 -40.970 103.219 1.00 55.83 C ATOM 776 CD LYS A 83 40.750 -39.852 102.215 1.00 64.18 C ATOM 777 CE LYS A 83 41.761 -38.723 102.311 1.00 68.25 C ATOM 778 NZ LYS A 83 41.650 -37.766 101.179 1.00 75.10 N ATOM 779 HZ1 LYS A 83 41.814 -38.269 100.284 1.00 0.00 H ATOM 780 HZ2 LYS A 83 40.698 -37.346 101.173 1.00 0.00 H ATOM 781 HZ3 LYS A 83 42.361 -37.015 101.291 1.00 0.00 H ATOM 782 H LYS A 83 41.158 -44.618 103.128 1.00 0.00 H ATOM 783 N ILE A 84 38.067 -43.822 105.402 1.00 49.44 N ATOM 784 CA ILE A 84 36.787 -44.507 105.532 1.00 55.46 C ATOM 785 C ILE A 84 35.713 -43.551 105.002 1.00 62.80 C ATOM 786 O ILE A 84 35.751 -42.376 105.327 1.00 67.06 O ATOM 787 CB ILE A 84 36.552 -44.932 106.994 1.00 50.84 C ATOM 788 CG1 ILE A 84 37.400 -46.161 107.325 1.00 49.95 C ATOM 789 CG2 ILE A 84 35.084 -45.179 107.294 1.00 51.64 C ATOM 790 CD1 ILE A 84 37.498 -46.471 108.775 1.00 50.85 C ATOM 791 H ILE A 84 38.376 -43.180 106.160 1.00 0.00 H ATOM 792 N ASP A 85 34.789 -44.028 104.164 1.00 74.78 N ATOM 793 CA ASP A 85 33.761 -43.125 103.628 1.00 81.93 C ATOM 794 C ASP A 85 32.639 -42.959 104.664 1.00 83.94 C ATOM 795 O ASP A 85 31.946 -43.916 104.996 1.00 85.65 O ATOM 796 CB ASP A 85 33.237 -43.585 102.268 1.00 89.79 C ATOM 797 CG ASP A 85 32.633 -42.442 101.467 1.00 98.77 C ATOM 798 OD1 ASP A 85 31.740 -41.742 101.999 1.00101.91 O ATOM 799 OD2 ASP A 85 33.061 -42.256 100.311 1.00109.13 O ATOM 800 H ASP A 85 34.797 -45.032 103.893 1.00 0.00 H ATOM 801 N ALA A 86 32.488 -41.728 105.169 1.00 84.48 N ATOM 802 CA ALA A 86 31.527 -41.342 106.216 1.00 89.05 C ATOM 803 C ALA A 86 31.167 -39.859 106.054 1.00 98.25 C ATOM 804 O ALA A 86 31.686 -39.194 105.152 1.00107.48 O ATOM 805 CB ALA A 86 32.114 -41.598 107.581 1.00 85.30 C ATOM 806 H ALA A 86 33.102 -40.980 104.789 1.00 0.00 H ATOM 807 N LEU A 87 30.287 -39.342 106.919 1.00107.84 N ATOM 808 CA LEU A 87 29.775 -37.960 106.796 1.00120.62 C ATOM 809 C LEU A 87 30.940 -36.962 106.771 1.00117.62 C ATOM 810 O LEU A 87 30.933 -36.024 105.984 1.00110.07 O ATOM 811 CB LEU A 87 28.848 -37.649 107.974 1.00130.90 C ATOM 812 CG LEU A 87 27.392 -38.081 107.824 1.00144.61 C ATOM 813 CD1 LEU A 87 27.278 -39.589 107.660 1.00145.64 C ATOM 814 CD2 LEU A 87 26.582 -37.611 109.024 1.00148.92 C ATOM 815 H LEU A 87 29.951 -39.933 107.706 1.00 0.00 H ATOM 816 N ASN A 88 31.895 -37.159 107.689 1.00116.67 N ATOM 817 CA ASN A 88 33.148 -36.413 107.743 1.00115.08 C ATOM 818 C ASN A 88 34.282 -37.415 107.483 1.00106.14 C ATOM 819 O ASN A 88 34.225 -38.552 107.961 1.00 99.16 O ATOM 820 CB ASN A 88 33.312 -35.664 109.072 1.00119.12 C ATOM 821 CG ASN A 88 34.532 -34.765 109.092 1.00123.58 C ATOM 822 OD1 ASN A 88 34.430 -33.571 108.814 1.00126.49 O ATOM 823 ND2 ASN A 88 35.694 -35.340 109.364 1.00121.20 N ATOM 824 HD22 ASN A 88 35.731 -36.354 109.594 1.00 0.00 H ATOM 825 HD21 ASN A 88 36.569 -34.778 109.348 1.00 0.00 H ATOM 826 H ASN A 88 31.733 -37.891 108.410 1.00 0.00 H ATOM 827 N GLU A 89 35.313 -36.978 106.750 1.00 99.86 N ATOM 828 CA GLU A 89 36.444 -37.829 106.388 1.00 95.30 C ATOM 829 C GLU A 89 37.154 -38.350 107.648 1.00 84.09 C ATOM 830 O GLU A 89 37.446 -37.556 108.558 1.00 81.64 O ATOM 831 CB GLU A 89 37.431 -37.060 105.504 1.00100.93 C ATOM 832 CG GLU A 89 37.344 -37.447 104.041 1.00105.18 C ATOM 833 CD GLU A 89 37.286 -38.952 103.823 1.00110.92 C ATOM 834 OE1 GLU A 89 37.702 -39.716 104.736 1.00112.67 O ATOM 835 OE2 GLU A 89 36.798 -39.363 102.751 1.00116.55 O ATOM 836 H GLU A 89 35.309 -35.990 106.424 1.00 0.00 H ATOM 837 N ASN A 90 37.424 -39.666 107.668 1.00 70.60 N ATOM 838 CA ASN A 90 38.113 -40.332 108.767 1.00 65.52 C ATOM 839 C ASN A 90 39.292 -41.161 108.241 1.00 55.15 C ATOM 840 O ASN A 90 39.111 -42.153 107.565 1.00 55.59 O ATOM 841 CB ASN A 90 37.177 -41.234 109.580 1.00 67.72 C ATOM 842 CG ASN A 90 36.431 -40.506 110.679 1.00 71.76 C ATOM 843 OD1 ASN A 90 36.116 -41.100 111.712 1.00 73.06 O ATOM 844 ND2 ASN A 90 36.160 -39.225 110.477 1.00 71.50 N ATOM 845 HD22 ASN A 90 36.446 -38.767 109.588 1.00 0.00 H ATOM 846 HD21 ASN A 90 35.661 -38.678 111.207 1.00 0.00 H ATOM 847 H ASN A 90 37.125 -40.241 106.855 1.00 0.00 H ATOM 848 N LYS A 91 40.504 -40.754 108.614 1.00 46.83 N ATOM 849 CA LYS A 91 41.735 -41.374 108.175 1.00 43.73 C ATOM 850 C LYS A 91 42.094 -42.502 109.136 1.00 38.74 C ATOM 851 O LYS A 91 42.077 -42.351 110.374 1.00 35.31 O ATOM 852 CB LYS A 91 42.888 -40.367 108.138 1.00 48.37 C ATOM 853 CG LYS A 91 43.078 -39.605 106.832 1.00 59.40 C ATOM 854 CD LYS A 91 44.185 -38.551 106.913 1.00 65.62 C ATOM 855 CE LYS A 91 45.374 -38.970 107.766 1.00 68.49 C ATOM 856 NZ LYS A 91 46.478 -37.971 107.788 1.00 74.46 N ATOM 857 HZ1 LYS A 91 46.828 -37.822 106.820 1.00 0.00 H ATOM 858 HZ2 LYS A 91 46.123 -37.072 108.172 1.00 0.00 H ATOM 859 HZ3 LYS A 91 47.251 -38.324 108.387 1.00 0.00 H ATOM 860 H LYS A 91 40.569 -39.941 109.260 1.00 0.00 H ATOM 861 N VAL A 92 42.463 -43.637 108.559 1.00 33.38 N ATOM 862 CA VAL A 92 43.081 -44.714 109.266 1.00 30.58 C ATOM 863 C VAL A 92 44.561 -44.722 108.939 1.00 30.24 C ATOM 864 O VAL A 92 44.915 -44.714 107.742 1.00 31.09 O ATOM 865 CB VAL A 92 42.460 -46.055 108.842 1.00 30.58 C ATOM 866 CG1 VAL A 92 43.143 -47.252 109.455 1.00 30.23 C ATOM 867 CG2 VAL A 92 41.021 -46.066 109.272 1.00 33.51 C ATOM 868 H VAL A 92 42.294 -43.749 107.539 1.00 0.00 H ATOM 869 N LEU A 93 45.399 -44.743 109.968 1.00 28.20 N ATOM 870 CA LEU A 93 46.842 -44.824 109.784 1.00 28.65 C ATOM 871 C LEU A 93 47.358 -46.095 110.443 1.00 28.53 C ATOM 872 O LEU A 93 47.027 -46.401 111.619 1.00 26.80 O ATOM 873 CB LEU A 93 47.526 -43.615 110.429 1.00 32.28 C ATOM 874 CG LEU A 93 46.961 -42.259 110.034 1.00 36.15 C ATOM 875 CD1 LEU A 93 45.932 -41.831 111.058 1.00 38.57 C ATOM 876 CD2 LEU A 93 48.067 -41.212 109.912 1.00 38.65 C ATOM 877 H LEU A 93 45.015 -44.700 110.933 1.00 0.00 H ATOM 878 N VAL A 94 48.173 -46.847 109.704 1.00 27.65 N ATOM 879 CA VAL A 94 48.911 -47.954 110.272 1.00 26.62 C ATOM 880 C VAL A 94 50.249 -47.430 110.780 1.00 27.85 C ATOM 881 O VAL A 94 51.054 -46.966 109.969 1.00 28.49 O ATOM 882 CB VAL A 94 49.139 -49.063 109.230 1.00 29.04 C ATOM 883 CG1 VAL A 94 49.941 -50.221 109.822 1.00 30.09 C ATOM 884 CG2 VAL A 94 47.804 -49.514 108.662 1.00 28.65 C ATOM 885 H VAL A 94 48.281 -46.632 108.692 1.00 0.00 H ATOM 886 N LEU A 95 50.490 -47.551 112.102 1.00 26.55 N ATOM 887 CA LEU A 95 51.695 -47.019 112.740 1.00 28.09 C ATOM 888 C LEU A 95 52.854 -47.995 112.565 1.00 28.82 C ATOM 889 O LEU A 95 54.010 -47.565 112.398 1.00 28.82 O ATOM 890 CB LEU A 95 51.508 -46.786 114.244 1.00 28.56 C ATOM 891 CG LEU A 95 50.849 -45.468 114.595 1.00 30.89 C ATOM 892 CD1 LEU A 95 49.491 -45.296 113.950 1.00 31.89 C ATOM 893 CD2 LEU A 95 50.778 -45.298 116.106 1.00 31.74 C ATOM 894 H LEU A 95 49.790 -48.043 112.693 1.00 0.00 H ATOM 895 N ASP A 96 52.513 -49.292 112.662 1.00 28.93 N ATOM 896 CA ASP A 96 53.514 -50.316 112.871 1.00 30.91 C ATOM 897 C ASP A 96 52.846 -51.684 112.876 1.00 30.22 C ATOM 898 O ASP A 96 51.732 -51.823 113.327 1.00 28.92 O ATOM 899 CB ASP A 96 54.308 -50.083 114.157 1.00 32.94 C ATOM 900 CG ASP A 96 55.505 -51.004 114.277 1.00 36.14 C ATOM 901 OD1 ASP A 96 56.078 -51.307 113.216 1.00 39.93 O ATOM 902 OD2 ASP A 96 55.908 -51.290 115.420 1.00 37.62 O ATOM 903 H ASP A 96 51.512 -49.564 112.585 1.00 0.00 H ATOM 904 N THR A 97 53.525 -52.648 112.261 1.00 32.25 N ATOM 905 CA THR A 97 53.094 -54.026 112.240 1.00 31.12 C ATOM 906 C THR A 97 54.313 -54.887 111.932 1.00 34.39 C ATOM 907 O THR A 97 55.251 -54.461 111.202 1.00 37.04 O ATOM 908 CB THR A 97 51.961 -54.259 111.234 1.00 30.09 C ATOM 909 OG1 THR A 97 51.542 -55.605 111.421 1.00 30.68 O ATOM 910 CG2 THR A 97 52.363 -54.032 109.786 1.00 33.51 C ATOM 911 HG1 THR A 97 51.225 -55.725 112.351 1.00 0.00 H ATOM 912 H THR A 97 54.408 -52.398 111.772 1.00 0.00 H ATOM 913 N ASP A 98 54.242 -56.125 112.437 1.00 35.16 N ATOM 914 CA ASP A 98 55.098 -57.193 111.969 1.00 36.93 C ATOM 915 C ASP A 98 54.309 -58.290 111.245 1.00 36.18 C ATOM 916 O ASP A 98 54.896 -59.274 110.873 1.00 37.75 O ATOM 917 CB ASP A 98 55.950 -57.760 113.092 1.00 38.44 C ATOM 918 CG ASP A 98 55.130 -58.575 114.070 1.00 36.83 C ATOM 919 OD1 ASP A 98 53.899 -58.671 113.928 1.00 34.74 O ATOM 920 OD2 ASP A 98 55.764 -59.105 114.952 1.00 38.51 O ATOM 921 H ASP A 98 53.551 -56.325 113.188 1.00 0.00 H ATOM 922 N TYR A 99 53.037 -58.048 110.934 1.00 34.88 N ATOM 923 CA TYR A 99 52.173 -58.918 110.107 1.00 37.73 C ATOM 924 C TYR A 99 51.806 -60.226 110.829 1.00 38.19 C ATOM 925 O TYR A 99 50.650 -60.685 110.714 1.00 37.17 O ATOM 926 CB TYR A 99 52.802 -59.242 108.743 1.00 40.79 C ATOM 927 CG TYR A 99 53.210 -58.032 107.942 1.00 41.73 C ATOM 928 CD1 TYR A 99 52.257 -57.180 107.400 1.00 40.87 C ATOM 929 CD2 TYR A 99 54.545 -57.716 107.738 1.00 42.64 C ATOM 930 CE1 TYR A 99 52.621 -56.048 106.685 1.00 39.60 C ATOM 931 CE2 TYR A 99 54.921 -56.559 107.070 1.00 42.72 C ATOM 932 CZ TYR A 99 53.954 -55.726 106.533 1.00 41.20 C ATOM 933 OH TYR A 99 54.262 -54.610 105.802 1.00 41.37 O ATOM 934 HH TYR A 99 54.796 -53.989 106.359 1.00 0.00 H ATOM 935 H TYR A 99 52.615 -57.172 111.304 1.00 0.00 H ATOM 936 N LYS A 100 52.791 -60.810 111.523 1.00 39.49 N ATOM 937 CA LYS A 100 52.701 -62.143 112.086 1.00 42.75 C ATOM 938 C LYS A 100 52.247 -62.139 113.544 1.00 40.12 C ATOM 939 O LYS A 100 51.837 -63.201 113.968 1.00 40.17 O ATOM 940 CB LYS A 100 54.054 -62.859 112.039 1.00 48.62 C ATOM 941 CG LYS A 100 54.540 -63.154 110.626 1.00 55.87 C ATOM 942 CD LYS A 100 53.557 -63.981 109.825 1.00 60.77 C ATOM 943 CE LYS A 100 54.232 -64.741 108.700 1.00 67.30 C ATOM 944 NZ LYS A 100 53.288 -65.658 108.014 1.00 72.07 N ATOM 945 HZ1 LYS A 100 52.917 -66.347 108.699 1.00 0.00 H ATOM 946 HZ2 LYS A 100 52.502 -65.108 107.613 1.00 0.00 H ATOM 947 HZ3 LYS A 100 53.786 -66.160 107.251 1.00 0.00 H ATOM 948 H LYS A 100 53.672 -60.276 111.667 1.00 0.00 H ATOM 949 N LYS A 101 52.297 -60.999 114.258 1.00 38.04 N ATOM 950 CA LYS A 101 51.886 -60.920 115.675 1.00 39.23 C ATOM 951 C LYS A 101 51.034 -59.680 116.001 1.00 35.14 C ATOM 952 O LYS A 101 49.997 -59.832 116.672 1.00 32.23 O ATOM 953 CB LYS A 101 53.092 -60.963 116.618 1.00 43.87 C ATOM 954 CG LYS A 101 53.889 -62.258 116.543 1.00 53.91 C ATOM 955 CD LYS A 101 55.113 -62.266 117.433 1.00 60.61 C ATOM 956 CE LYS A 101 54.773 -62.456 118.896 1.00 66.81 C ATOM 957 NZ LYS A 101 54.378 -63.860 119.180 1.00 72.75 N ATOM 958 HZ1 LYS A 101 53.543 -64.106 118.611 1.00 0.00 H ATOM 959 HZ2 LYS A 101 55.164 -64.496 118.937 1.00 0.00 H ATOM 960 HZ3 LYS A 101 54.151 -63.957 120.190 1.00 0.00 H ATOM 961 H LYS A 101 52.640 -60.135 113.791 1.00 0.00 H ATOM 962 N TYR A 102 51.502 -58.463 115.668 1.00 31.43 N ATOM 963 CA TYR A 102 50.828 -57.262 116.102 1.00 28.55 C ATOM 964 C TYR A 102 50.706 -56.229 114.977 1.00 27.97 C ATOM 965 O TYR A 102 51.469 -56.218 114.009 1.00 28.47 O ATOM 966 CB TYR A 102 51.570 -56.642 117.295 1.00 28.01 C ATOM 967 CG TYR A 102 52.814 -55.881 116.927 1.00 29.58 C ATOM 968 CD1 TYR A 102 54.020 -56.552 116.813 1.00 31.48 C ATOM 969 CD2 TYR A 102 52.767 -54.534 116.579 1.00 28.59 C ATOM 970 CE1 TYR A 102 55.163 -55.917 116.376 1.00 33.00 C ATOM 971 CE2 TYR A 102 53.919 -53.874 116.177 1.00 31.34 C ATOM 972 CZ TYR A 102 55.114 -54.567 116.062 1.00 33.03 C ATOM 973 OH TYR A 102 56.276 -53.930 115.701 1.00 34.18 O ATOM 974 HH TYR A 102 56.484 -53.225 116.364 1.00 0.00 H ATOM 975 H TYR A 102 52.363 -58.386 115.089 1.00 0.00 H ATOM 976 N LEU A 103 49.690 -55.371 115.111 1.00 26.45 N ATOM 977 CA LEU A 103 49.527 -54.233 114.221 1.00 25.97 C ATOM 978 C LEU A 103 48.979 -53.088 115.080 1.00 24.71 C ATOM 979 O LEU A 103 47.970 -53.280 115.731 1.00 24.10 O ATOM 980 CB LEU A 103 48.545 -54.538 113.085 1.00 25.76 C ATOM 981 CG LEU A 103 48.370 -53.408 112.061 1.00 27.94 C ATOM 982 CD1 LEU A 103 48.112 -53.938 110.642 1.00 30.98 C ATOM 983 CD2 LEU A 103 47.222 -52.487 112.454 1.00 26.81 C ATOM 984 H LEU A 103 48.998 -55.521 115.872 1.00 0.00 H ATOM 985 N LEU A 104 49.592 -51.916 114.996 1.00 23.31 N ATOM 986 CA LEU A 104 49.118 -50.718 115.708 1.00 22.70 C ATOM 987 C LEU A 104 48.517 -49.779 114.684 1.00 23.50 C ATOM 988 O LEU A 104 49.183 -49.525 113.690 1.00 25.80 O ATOM 989 CB LEU A 104 50.275 -50.006 116.409 1.00 22.48 C ATOM 990 CG LEU A 104 51.246 -50.848 117.219 1.00 24.05 C ATOM 991 CD1 LEU A 104 52.295 -49.955 117.855 1.00 25.21 C ATOM 992 CD2 LEU A 104 50.520 -51.660 118.290 1.00 23.80 C ATOM 993 H LEU A 104 50.443 -51.840 114.403 1.00 0.00 H ATOM 994 N PHE A 105 47.310 -49.271 114.951 1.00 22.80 N ATOM 995 CA PHE A 105 46.656 -48.326 114.049 1.00 23.53 C ATOM 996 C PHE A 105 45.925 -47.257 114.864 1.00 24.19 C ATOM 997 O PHE A 105 45.488 -47.501 115.997 1.00 22.31 O ATOM 998 CB PHE A 105 45.674 -49.017 113.086 1.00 25.00 C ATOM 999 CG PHE A 105 44.321 -49.345 113.660 1.00 24.32 C ATOM 1000 CD1 PHE A 105 43.306 -48.419 113.606 1.00 25.13 C ATOM 1001 CD2 PHE A 105 44.059 -50.591 114.216 1.00 26.29 C ATOM 1002 CE1 PHE A 105 42.073 -48.707 114.158 1.00 26.59 C ATOM 1003 CE2 PHE A 105 42.832 -50.879 114.792 1.00 24.77 C ATOM 1004 CZ PHE A 105 41.834 -49.942 114.742 1.00 26.95 C ATOM 1005 H PHE A 105 46.823 -49.556 115.825 1.00 0.00 H ATOM 1006 N CYS A 106 45.754 -46.094 114.238 1.00 23.43 N ATOM 1007 CA CYS A 106 44.970 -45.056 114.767 1.00 24.41 C ATOM 1008 C CYS A 106 43.930 -44.651 113.731 1.00 26.90 C ATOM 1009 O CYS A 106 44.134 -44.808 112.527 1.00 27.81 O ATOM 1010 CB CYS A 106 45.814 -43.854 115.178 1.00 25.86 C ATOM 1011 SG CYS A 106 46.969 -44.190 116.540 1.00 26.49 S ATOM 1012 H CYS A 106 46.220 -45.949 113.320 1.00 0.00 H ATOM 1013 N MET A 107 42.836 -44.075 114.210 1.00 26.87 N ATOM 1014 CA MET A 107 41.927 -43.440 113.312 1.00 29.99 C ATOM 1015 C MET A 107 41.587 -42.056 113.848 1.00 31.02 C ATOM 1016 O MET A 107 41.402 -41.863 115.041 1.00 29.36 O ATOM 1017 CB MET A 107 40.670 -44.287 113.084 1.00 31.90 C ATOM 1018 CG MET A 107 39.851 -44.620 114.277 1.00 34.43 C ATOM 1019 SD MET A 107 38.934 -46.172 114.043 1.00 38.12 S ATOM 1020 CE MET A 107 39.095 -46.807 115.709 1.00 35.74 C ATOM 1021 H MET A 107 42.642 -44.086 115.232 1.00 0.00 H ATOM 1022 N GLU A 108 41.581 -41.063 112.969 1.00 33.34 N ATOM 1023 CA GLU A 108 41.409 -39.727 113.429 1.00 39.94 C ATOM 1024 C GLU A 108 40.376 -38.947 112.635 1.00 46.55 C ATOM 1025 O GLU A 108 40.138 -39.258 111.493 1.00 47.33 O ATOM 1026 CB GLU A 108 42.755 -39.020 113.519 1.00 44.83 C ATOM 1027 CG GLU A 108 43.307 -38.443 112.258 1.00 47.76 C ATOM 1028 CD GLU A 108 44.738 -37.955 112.443 1.00 52.98 C ATOM 1029 OE1 GLU A 108 45.545 -38.640 113.104 1.00 54.75 O ATOM 1030 OE2 GLU A 108 45.087 -36.944 111.845 1.00 55.88 O ATOM 1031 H GLU A 108 41.701 -41.258 111.955 1.00 0.00 H ATOM 1032 N ASN A 109 39.841 -37.915 113.283 1.00 56.29 N ATOM 1033 CA ASN A 109 38.914 -36.964 112.697 1.00 71.96 C ATOM 1034 C ASN A 109 39.706 -35.899 111.928 1.00 81.11 C ATOM 1035 O ASN A 109 40.525 -35.199 112.521 1.00 76.74 O ATOM 1036 CB ASN A 109 38.072 -36.279 113.774 1.00 78.72 C ATOM 1037 CG ASN A 109 36.787 -35.728 113.199 1.00 87.61 C ATOM 1038 OD1 ASN A 109 36.661 -35.591 111.982 1.00 90.05 O ATOM 1039 ND2 ASN A 109 35.847 -35.404 114.070 1.00 93.81 N ATOM 1040 HD22 ASN A 109 36.011 -35.543 115.088 1.00 0.00 H ATOM 1041 HD21 ASN A 109 34.943 -35.011 113.738 1.00 0.00 H ATOM 1042 H ASN A 109 40.106 -37.780 114.280 1.00 0.00 H ATOM 1043 N SER A 110 39.412 -35.741 110.632 1.00 98.97 N ATOM 1044 CA SER A 110 40.192 -34.857 109.758 1.00106.05 C ATOM 1045 C SER A 110 40.194 -33.408 110.269 1.00111.51 C ATOM 1046 O SER A 110 41.252 -32.792 110.315 1.00114.38 O ATOM 1047 CB SER A 110 39.728 -34.950 108.331 1.00106.70 C ATOM 1048 OG SER A 110 39.919 -36.274 107.867 1.00106.38 O ATOM 1049 HG SER A 110 39.395 -36.898 108.429 1.00 0.00 H ATOM 1050 H SER A 110 38.605 -36.261 110.232 1.00 0.00 H ATOM 1051 N ALA A 111 39.044 -32.864 110.686 1.00115.72 N ATOM 1052 CA ALA A 111 38.997 -31.465 111.125 1.00120.05 C ATOM 1053 C ALA A 111 38.057 -31.324 112.326 1.00124.54 C ATOM 1054 O ALA A 111 36.915 -31.772 112.260 1.00126.45 O ATOM 1055 CB ALA A 111 38.557 -30.582 109.979 1.00122.64 C ATOM 1056 H ALA A 111 38.177 -33.438 110.699 1.00 0.00 H ATOM 1057 N GLU A 112 38.509 -30.646 113.392 1.00131.70 N ATOM 1058 CA GLU A 112 37.610 -30.323 114.529 1.00134.93 C ATOM 1059 C GLU A 112 37.689 -28.885 115.069 1.00142.13 C ATOM 1060 O GLU A 112 36.626 -28.403 115.459 1.00144.16 O ATOM 1061 CB GLU A 112 37.711 -31.382 115.635 1.00124.67 C ATOM 1062 CG GLU A 112 36.538 -32.346 115.663 1.00119.34 C ATOM 1063 CD GLU A 112 36.034 -32.608 117.070 1.00118.04 C ATOM 1064 OE1 GLU A 112 35.625 -31.635 117.736 1.00112.91 O ATOM 1065 OE2 GLU A 112 36.120 -33.768 117.514 1.00113.98 O ATOM 1066 H GLU A 112 39.503 -30.342 113.422 1.00 0.00 H ATOM 1067 N PRO A 113 38.823 -28.160 115.172 1.00140.10 N ATOM 1068 CA PRO A 113 40.233 -28.444 114.922 1.00137.00 C ATOM 1069 C PRO A 113 40.995 -29.413 115.846 1.00137.00 C ATOM 1070 O PRO A 113 41.887 -30.118 115.367 1.00131.99 O ATOM 1071 CB PRO A 113 40.939 -27.089 115.111 1.00136.06 C ATOM 1072 CG PRO A 113 39.993 -26.307 115.979 1.00138.68 C ATOM 1073 CD PRO A 113 38.641 -26.726 115.446 1.00140.33 C ATOM 1074 N GLU A 114 40.687 -29.427 117.149 1.00135.81 N ATOM 1075 CA GLU A 114 41.464 -30.223 118.104 1.00124.53 C ATOM 1076 C GLU A 114 41.504 -31.688 117.640 1.00110.67 C ATOM 1077 O GLU A 114 42.578 -32.285 117.631 1.00112.42 O ATOM 1078 CB GLU A 114 40.934 -30.035 119.529 1.00126.36 C ATOM 1079 CG GLU A 114 39.570 -30.648 119.805 1.00127.46 C ATOM 1080 CD GLU A 114 38.422 -29.657 119.913 1.00132.17 C ATOM 1081 OE1 GLU A 114 38.360 -28.732 119.084 1.00130.11 O ATOM 1082 OE2 GLU A 114 37.590 -29.804 120.835 1.00134.55 O ATOM 1083 H GLU A 114 39.882 -28.863 117.490 1.00 0.00 H ATOM 1084 N GLN A 115 40.330 -32.233 117.292 1.00 98.00 N ATOM 1085 CA GLN A 115 40.075 -33.528 116.610 1.00 90.87 C ATOM 1086 C GLN A 115 40.137 -34.711 117.593 1.00 75.36 C ATOM 1087 O GLN A 115 40.649 -34.609 118.707 1.00 70.68 O ATOM 1088 CB GLN A 115 40.894 -33.683 115.322 1.00 94.72 C ATOM 1089 CG GLN A 115 42.146 -34.539 115.434 1.00 98.00 C ATOM 1090 CD GLN A 115 43.055 -34.286 114.260 1.00100.20 C ATOM 1091 OE1 GLN A 115 42.779 -33.408 113.447 1.00 97.77 O ATOM 1092 NE2 GLN A 115 44.141 -35.039 114.181 1.00 98.11 N ATOM 1093 HE22 GLN A 115 44.322 -35.768 114.900 1.00 0.00 H ATOM 1094 HE21 GLN A 115 44.813 -34.902 113.400 1.00 0.00 H ATOM 1095 H GLN A 115 39.485 -31.675 117.531 1.00 0.00 H ATOM 1096 N SER A 116 39.428 -35.777 117.210 1.00 63.47 N ATOM 1097 CA SER A 116 39.288 -36.988 117.974 1.00 58.52 C ATOM 1098 C SER A 116 40.232 -38.051 117.370 1.00 49.84 C ATOM 1099 O SER A 116 40.476 -38.060 116.150 1.00 45.85 O ATOM 1100 CB SER A 116 37.825 -37.407 118.002 1.00 62.20 C ATOM 1101 OG SER A 116 37.501 -38.287 116.930 1.00 68.29 O ATOM 1102 HG SER A 116 36.544 -38.534 116.985 1.00 0.00 H ATOM 1103 H SER A 116 38.942 -35.728 116.292 1.00 0.00 H ATOM 1104 N LEU A 117 40.754 -38.941 118.217 1.00 39.61 N ATOM 1105 CA LEU A 117 41.706 -39.938 117.833 1.00 34.84 C ATOM 1106 C LEU A 117 41.440 -41.200 118.652 1.00 32.49 C ATOM 1107 O LEU A 117 41.309 -41.104 119.890 1.00 28.08 O ATOM 1108 CB LEU A 117 43.075 -39.330 118.121 1.00 38.29 C ATOM 1109 CG LEU A 117 44.270 -40.262 118.009 1.00 38.52 C ATOM 1110 CD1 LEU A 117 44.491 -40.663 116.571 1.00 42.23 C ATOM 1111 CD2 LEU A 117 45.509 -39.555 118.525 1.00 41.40 C ATOM 1112 H LEU A 117 40.452 -38.908 119.212 1.00 0.00 H ATOM 1113 N ALA A 118 41.342 -42.358 117.984 1.00 27.44 N ATOM 1114 CA ALA A 118 41.271 -43.657 118.660 1.00 26.36 C ATOM 1115 C ALA A 118 42.329 -44.555 118.034 1.00 24.03 C ATOM 1116 O ALA A 118 42.521 -44.534 116.795 1.00 22.84 O ATOM 1117 CB ALA A 118 39.905 -44.296 118.561 1.00 26.78 C ATOM 1118 H ALA A 118 41.315 -42.334 116.945 1.00 0.00 H ATOM 1119 N CYS A 119 43.082 -45.258 118.889 1.00 21.65 N ATOM 1120 CA CYS A 119 44.122 -46.165 118.454 1.00 21.34 C ATOM 1121 C CYS A 119 43.891 -47.542 119.082 1.00 21.56 C ATOM 1122 O CYS A 119 43.350 -47.659 120.194 1.00 22.87 O ATOM 1123 CB CYS A 119 45.515 -45.665 118.795 1.00 22.08 C ATOM 1124 SG CYS A 119 45.833 -43.982 118.243 1.00 25.10 S ATOM 1125 H CYS A 119 42.912 -45.147 119.909 1.00 0.00 H ATOM 1126 N GLN A 120 44.414 -48.574 118.412 1.00 20.99 N ATOM 1127 CA GLN A 120 44.276 -49.919 118.897 1.00 20.41 C ATOM 1128 C GLN A 120 45.597 -50.647 118.709 1.00 21.15 C ATOM 1129 O GLN A 120 46.390 -50.334 117.804 1.00 22.42 O ATOM 1130 CB GLN A 120 43.184 -50.774 118.236 1.00 20.93 C ATOM 1131 CG GLN A 120 41.793 -50.180 118.333 1.00 22.69 C ATOM 1132 CD GLN A 120 40.705 -51.159 117.959 1.00 23.91 C ATOM 1133 OE1 GLN A 120 41.010 -52.281 117.596 1.00 23.23 O ATOM 1134 NE2 GLN A 120 39.450 -50.819 118.220 1.00 26.07 N ATOM 1135 HE22 GLN A 120 39.227 -49.851 118.528 1.00 0.00 H ATOM 1136 HE21 GLN A 120 38.689 -51.520 118.117 1.00 0.00 H ATOM 1137 H GLN A 120 44.929 -48.400 117.525 1.00 0.00 H ATOM 1138 N CYS A 121 45.802 -51.606 119.609 1.00 21.28 N ATOM 1139 CA CYS A 121 46.821 -52.633 119.476 1.00 22.73 C ATOM 1140 C CYS A 121 46.104 -53.925 119.059 1.00 24.25 C ATOM 1141 O CYS A 121 45.404 -54.543 119.857 1.00 23.92 O ATOM 1142 CB CYS A 121 47.536 -52.900 120.779 1.00 24.71 C ATOM 1143 SG CYS A 121 48.830 -54.151 120.674 1.00 27.58 S ATOM 1144 H CYS A 121 45.198 -51.621 120.456 1.00 0.00 H ATOM 1145 N LEU A 122 46.352 -54.333 117.814 1.00 23.54 N ATOM 1146 CA LEU A 122 45.816 -55.607 117.277 1.00 23.07 C ATOM 1147 C LEU A 122 46.872 -56.671 117.405 1.00 24.77 C ATOM 1148 O LEU A 122 48.062 -56.409 117.148 1.00 23.64 O ATOM 1149 CB LEU A 122 45.518 -55.487 115.793 1.00 24.98 C ATOM 1150 CG LEU A 122 44.447 -54.481 115.407 1.00 26.06 C ATOM 1151 CD1 LEU A 122 44.081 -54.659 113.948 1.00 27.00 C ATOM 1152 CD2 LEU A 122 43.218 -54.656 116.269 1.00 26.07 C ATOM 1153 H LEU A 122 46.942 -53.737 117.198 1.00 0.00 H ATOM 1154 N VAL A 123 46.386 -57.867 117.736 1.00 24.71 N ATOM 1155 CA VAL A 123 47.240 -59.041 117.743 1.00 28.08 C ATOM 1156 C VAL A 123 46.544 -60.239 117.060 1.00 27.12 C ATOM 1157 O VAL A 123 45.346 -60.276 116.883 1.00 27.39 O ATOM 1158 CB VAL A 123 47.668 -59.379 119.182 1.00 28.65 C ATOM 1159 CG1 VAL A 123 48.396 -58.231 119.835 1.00 29.24 C ATOM 1160 CG2 VAL A 123 46.494 -59.858 120.047 1.00 28.10 C ATOM 1161 H VAL A 123 45.382 -57.960 117.992 1.00 0.00 H ATOM 1162 N ARG A 124 47.350 -61.172 116.557 1.00 29.62 N ATOM 1163 CA ARG A 124 46.860 -62.331 115.767 1.00 33.09 C ATOM 1164 C ARG A 124 46.193 -63.403 116.631 1.00 35.18 C ATOM 1165 O ARG A 124 45.325 -64.144 116.135 1.00 35.88 O ATOM 1166 CB ARG A 124 48.008 -62.972 114.982 1.00 35.72 C ATOM 1167 CG ARG A 124 48.573 -62.089 113.884 1.00 34.85 C ATOM 1168 CD ARG A 124 47.519 -61.859 112.828 1.00 34.69 C ATOM 1169 NE ARG A 124 48.127 -61.508 111.550 1.00 33.27 N ATOM 1170 CZ ARG A 124 47.469 -61.406 110.405 1.00 33.57 C ATOM 1171 NH1 ARG A 124 46.169 -61.670 110.359 1.00 31.46 N ATOM 1172 NH2 ARG A 124 48.129 -60.966 109.333 1.00 32.68 N ATOM 1173 HE ARG A 124 49.151 -61.325 111.537 1.00 0.00 H ATOM 1174 HH12 ARG A 124 45.654 -61.590 109.459 1.00 0.00 H ATOM 1175 HH11 ARG A 124 45.666 -61.957 111.223 1.00 0.00 H ATOM 1176 HH22 ARG A 124 47.638 -60.876 108.421 1.00 0.00 H ATOM 1177 HH21 ARG A 124 49.135 -60.713 109.409 1.00 0.00 H ATOM 1178 H ARG A 124 48.373 -61.085 116.725 1.00 0.00 H ATOM 1179 N THR A 125 46.486 -63.435 117.935 1.00 35.64 N ATOM 1180 CA THR A 125 45.981 -64.542 118.817 1.00 36.97 C ATOM 1181 C THR A 125 45.383 -63.979 120.105 1.00 36.76 C ATOM 1182 O THR A 125 45.691 -62.853 120.502 1.00 30.49 O ATOM 1183 CB THR A 125 47.101 -65.536 119.148 1.00 38.74 C ATOM 1184 OG1 THR A 125 48.107 -64.828 119.865 1.00 39.19 O ATOM 1185 CG2 THR A 125 47.690 -66.197 117.912 1.00 44.26 C ATOM 1186 HG1 THR A 125 48.454 -64.091 119.303 1.00 0.00 H ATOM 1187 H THR A 125 47.073 -62.681 118.346 1.00 0.00 H ATOM 1188 N PRO A 126 44.482 -64.749 120.769 1.00 36.85 N ATOM 1189 CA PRO A 126 43.823 -64.286 121.986 1.00 35.32 C ATOM 1190 C PRO A 126 44.761 -64.444 123.186 1.00 35.69 C ATOM 1191 O PRO A 126 44.525 -65.323 124.015 1.00 38.01 O ATOM 1192 CB PRO A 126 42.631 -65.251 122.106 1.00 37.34 C ATOM 1193 CG PRO A 126 43.108 -66.529 121.476 1.00 40.88 C ATOM 1194 CD PRO A 126 43.977 -66.060 120.328 1.00 40.41 C ATOM 1195 N GLU A 127 45.882 -63.731 123.154 1.00 33.56 N ATOM 1196 CA GLU A 127 46.914 -63.796 124.185 1.00 36.97 C ATOM 1197 C GLU A 127 47.330 -62.365 124.532 1.00 35.94 C ATOM 1198 O GLU A 127 47.308 -61.494 123.641 1.00 33.83 O ATOM 1199 CB GLU A 127 48.158 -64.506 123.654 1.00 40.46 C ATOM 1200 CG GLU A 127 47.975 -65.992 123.448 1.00 42.91 C ATOM 1201 CD GLU A 127 49.218 -66.600 122.835 1.00 45.29 C ATOM 1202 OE1 GLU A 127 49.611 -66.159 121.712 1.00 45.47 O ATOM 1203 OE2 GLU A 127 49.771 -67.500 123.477 1.00 46.10 O ATOM 1204 H GLU A 127 46.033 -63.090 122.349 1.00 0.00 H ATOM 1205 N VAL A 128 47.768 -62.158 125.771 1.00 38.58 N ATOM 1206 CA VAL A 128 48.253 -60.837 126.153 1.00 40.81 C ATOM 1207 C VAL A 128 49.705 -60.754 125.686 1.00 40.75 C ATOM 1208 O VAL A 128 50.562 -61.439 126.221 1.00 44.75 O ATOM 1209 CB VAL A 128 48.149 -60.544 127.662 1.00 45.80 C ATOM 1210 CG1 VAL A 128 48.736 -59.176 127.998 1.00 47.63 C ATOM 1211 CG2 VAL A 128 46.713 -60.629 128.136 1.00 44.92 C ATOM 1212 H VAL A 128 47.765 -62.934 126.463 1.00 0.00 H ATOM 1213 N ASP A 129 49.950 -59.934 124.662 1.00 36.79 N ATOM 1214 CA ASP A 129 51.288 -59.751 124.125 1.00 38.60 C ATOM 1215 C ASP A 129 51.908 -58.509 124.782 1.00 37.93 C ATOM 1216 O ASP A 129 51.638 -57.382 124.327 1.00 32.49 O ATOM 1217 CB ASP A 129 51.225 -59.596 122.605 1.00 38.64 C ATOM 1218 CG ASP A 129 52.590 -59.612 121.958 1.00 41.36 C ATOM 1219 OD1 ASP A 129 53.577 -59.341 122.671 1.00 41.79 O ATOM 1220 OD2 ASP A 129 52.643 -59.951 120.766 1.00 45.02 O ATOM 1221 H ASP A 129 49.159 -59.410 124.235 1.00 0.00 H ATOM 1222 N ASP A 130 52.728 -58.708 125.819 1.00 38.22 N ATOM 1223 CA ASP A 130 53.230 -57.577 126.598 1.00 40.44 C ATOM 1224 C ASP A 130 54.117 -56.684 125.731 1.00 40.36 C ATOM 1225 O ASP A 130 54.097 -55.462 125.864 1.00 38.63 O ATOM 1226 CB ASP A 130 54.084 -57.988 127.791 1.00 45.00 C ATOM 1227 CG ASP A 130 53.353 -58.688 128.915 1.00 48.45 C ATOM 1228 OD1 ASP A 130 52.171 -58.377 129.157 1.00 49.45 O ATOM 1229 OD2 ASP A 130 54.018 -59.514 129.563 1.00 56.64 O ATOM 1230 H ASP A 130 53.011 -59.676 126.074 1.00 0.00 H ATOM 1231 N GLU A 131 54.880 -57.296 124.826 1.00 43.61 N ATOM 1232 CA GLU A 131 55.784 -56.563 123.937 1.00 45.25 C ATOM 1233 C GLU A 131 55.003 -55.670 122.962 1.00 39.58 C ATOM 1234 O GLU A 131 55.412 -54.539 122.709 1.00 40.18 O ATOM 1235 CB GLU A 131 56.695 -57.514 123.151 1.00 51.19 C ATOM 1236 CG GLU A 131 57.720 -58.242 124.003 1.00 61.54 C ATOM 1237 CD GLU A 131 59.058 -58.499 123.315 1.00 72.87 C ATOM 1238 OE1 GLU A 131 59.146 -58.263 122.083 1.00 81.28 O ATOM 1239 OE2 GLU A 131 60.037 -58.882 124.007 1.00 80.59 O ATOM 1240 H GLU A 131 54.832 -58.332 124.748 1.00 0.00 H ATOM 1241 N ALA A 132 53.917 -56.187 122.381 1.00 35.38 N ATOM 1242 CA ALA A 132 53.052 -55.425 121.499 1.00 33.43 C ATOM 1243 C ALA A 132 52.443 -54.257 122.290 1.00 30.56 C ATOM 1244 O ALA A 132 52.355 -53.170 121.787 1.00 29.40 O ATOM 1245 CB ALA A 132 51.963 -56.283 120.895 1.00 31.77 C ATOM 1246 H ALA A 132 53.680 -57.182 122.569 1.00 0.00 H ATOM 1247 N LEU A 133 51.970 -54.514 123.510 1.00 30.12 N ATOM 1248 CA LEU A 133 51.379 -53.466 124.377 1.00 31.59 C ATOM 1249 C LEU A 133 52.403 -52.399 124.779 1.00 32.31 C ATOM 1250 O LEU A 133 52.065 -51.238 124.968 1.00 32.18 O ATOM 1251 CB LEU A 133 50.754 -54.072 125.638 1.00 32.06 C ATOM 1252 CG LEU A 133 49.472 -54.865 125.415 1.00 30.54 C ATOM 1253 CD1 LEU A 133 49.038 -55.527 126.711 1.00 33.18 C ATOM 1254 CD2 LEU A 133 48.381 -53.957 124.871 1.00 31.34 C ATOM 1255 H LEU A 133 52.018 -55.489 123.868 1.00 0.00 H ATOM 1256 N GLU A 134 53.667 -52.786 124.864 1.00 35.80 N ATOM 1257 CA GLU A 134 54.721 -51.810 125.144 1.00 39.27 C ATOM 1258 C GLU A 134 54.921 -50.890 123.925 1.00 36.64 C ATOM 1259 O GLU A 134 55.045 -49.679 124.039 1.00 33.38 O ATOM 1260 CB GLU A 134 55.978 -52.580 125.547 1.00 46.20 C ATOM 1261 CG GLU A 134 57.172 -51.685 125.795 1.00 55.08 C ATOM 1262 CD GLU A 134 58.472 -52.465 125.786 1.00 65.17 C ATOM 1263 OE1 GLU A 134 58.430 -53.654 126.189 1.00 69.23 O ATOM 1264 OE2 GLU A 134 59.496 -51.896 125.320 1.00 76.65 O ATOM 1265 H GLU A 134 53.912 -53.788 124.731 1.00 0.00 H ATOM 1266 N LYS A 135 54.923 -51.480 122.726 1.00 33.84 N ATOM 1267 CA LYS A 135 55.049 -50.699 121.515 1.00 34.38 C ATOM 1268 C LYS A 135 53.835 -49.788 121.343 1.00 30.03 C ATOM 1269 O LYS A 135 53.985 -48.651 120.997 1.00 28.66 O ATOM 1270 CB LYS A 135 55.142 -51.615 120.300 1.00 34.40 C ATOM 1271 CG LYS A 135 56.476 -52.326 120.283 1.00 37.95 C ATOM 1272 CD LYS A 135 56.711 -53.061 118.986 1.00 39.42 C ATOM 1273 CE LYS A 135 58.129 -53.584 118.991 1.00 44.50 C ATOM 1274 NZ LYS A 135 58.554 -54.094 117.672 1.00 47.23 N ATOM 1275 HZ1 LYS A 135 57.928 -54.873 117.385 1.00 0.00 H ATOM 1276 HZ2 LYS A 135 58.499 -53.327 116.971 1.00 0.00 H ATOM 1277 HZ3 LYS A 135 59.533 -54.439 117.734 1.00 0.00 H ATOM 1278 H LYS A 135 54.833 -52.514 122.663 1.00 0.00 H ATOM 1279 N PHE A 136 52.655 -50.292 121.691 1.00 26.87 N ATOM 1280 CA PHE A 136 51.439 -49.488 121.686 1.00 26.58 C ATOM 1281 C PHE A 136 51.560 -48.280 122.626 1.00 28.16 C ATOM 1282 O PHE A 136 51.333 -47.132 122.224 1.00 27.05 O ATOM 1283 CB PHE A 136 50.246 -50.377 122.018 1.00 24.86 C ATOM 1284 CG PHE A 136 48.915 -49.688 122.024 1.00 24.68 C ATOM 1285 CD1 PHE A 136 48.410 -49.114 120.869 1.00 23.18 C ATOM 1286 CD2 PHE A 136 48.139 -49.665 123.171 1.00 25.42 C ATOM 1287 CE1 PHE A 136 47.143 -48.570 120.847 1.00 23.02 C ATOM 1288 CE2 PHE A 136 46.876 -49.102 123.149 1.00 25.22 C ATOM 1289 CZ PHE A 136 46.369 -48.590 121.992 1.00 23.89 C ATOM 1290 H PHE A 136 52.598 -51.291 121.976 1.00 0.00 H ATOM 1291 N ASP A 137 51.960 -48.531 123.875 1.00 31.44 N ATOM 1292 CA ASP A 137 52.031 -47.473 124.856 1.00 32.17 C ATOM 1293 C ASP A 137 53.114 -46.463 124.471 1.00 34.35 C ATOM 1294 O ASP A 137 52.902 -45.278 124.615 1.00 32.96 O ATOM 1295 CB ASP A 137 52.222 -48.038 126.258 1.00 34.24 C ATOM 1296 CG ASP A 137 50.948 -48.680 126.800 1.00 34.30 C ATOM 1297 OD1 ASP A 137 49.830 -48.310 126.384 1.00 32.41 O ATOM 1298 OD2 ASP A 137 51.087 -49.580 127.628 1.00 35.69 O ATOM 1299 H ASP A 137 52.224 -49.500 124.145 1.00 0.00 H ATOM 1300 N LYS A 138 54.252 -46.937 123.960 1.00 34.98 N ATOM 1301 CA LYS A 138 55.311 -46.033 123.533 1.00 39.83 C ATOM 1302 C LYS A 138 54.838 -45.166 122.357 1.00 37.21 C ATOM 1303 O LYS A 138 55.102 -43.984 122.303 1.00 35.32 O ATOM 1304 CB LYS A 138 56.577 -46.821 123.170 1.00 44.97 C ATOM 1305 CG LYS A 138 57.292 -47.437 124.370 1.00 52.40 C ATOM 1306 CD LYS A 138 58.571 -48.140 123.987 1.00 58.38 C ATOM 1307 CE LYS A 138 59.392 -48.546 125.191 1.00 64.68 C ATOM 1308 NZ LYS A 138 60.736 -49.004 124.771 1.00 71.87 N ATOM 1309 HZ1 LYS A 138 60.639 -49.822 124.136 1.00 0.00 H ATOM 1310 HZ2 LYS A 138 61.224 -48.232 124.273 1.00 0.00 H ATOM 1311 HZ3 LYS A 138 61.285 -49.279 125.610 1.00 0.00 H ATOM 1312 H LYS A 138 54.384 -47.964 123.866 1.00 0.00 H ATOM 1313 N ALA A 139 54.098 -45.772 121.422 1.00 34.30 N ATOM 1314 CA ALA A 139 53.546 -45.039 120.278 1.00 33.36 C ATOM 1315 C ALA A 139 52.578 -43.939 120.736 1.00 32.39 C ATOM 1316 O ALA A 139 52.520 -42.892 120.119 1.00 30.92 O ATOM 1317 CB ALA A 139 52.830 -45.979 119.363 1.00 31.79 C ATOM 1318 H ALA A 139 53.909 -46.791 121.509 1.00 0.00 H ATOM 1319 N LEU A 140 51.862 -44.168 121.842 1.00 29.89 N ATOM 1320 CA LEU A 140 50.824 -43.248 122.309 1.00 33.23 C ATOM 1321 C LEU A 140 51.373 -42.218 123.300 1.00 34.84 C ATOM 1322 O LEU A 140 50.630 -41.335 123.663 1.00 33.43 O ATOM 1323 CB LEU A 140 49.701 -44.040 122.984 1.00 35.52 C ATOM 1324 CG LEU A 140 48.548 -44.454 122.067 1.00 38.87 C ATOM 1325 CD1 LEU A 140 49.061 -45.048 120.771 1.00 40.79 C ATOM 1326 CD2 LEU A 140 47.643 -45.415 122.817 1.00 41.19 C ATOM 1327 H LEU A 140 52.050 -45.032 122.390 1.00 0.00 H ATOM 1328 N LYS A 141 52.606 -42.361 123.785 1.00 39.90 N ATOM 1329 CA LYS A 141 53.051 -41.523 124.932 1.00 49.82 C ATOM 1330 C LYS A 141 52.944 -40.028 124.592 1.00 53.30 C ATOM 1331 O LYS A 141 52.516 -39.251 125.442 1.00 57.45 O ATOM 1332 CB LYS A 141 54.442 -41.910 125.452 1.00 56.07 C ATOM 1333 CG LYS A 141 55.579 -41.879 124.440 1.00 62.99 C ATOM 1334 CD LYS A 141 56.887 -42.378 125.018 1.00 71.41 C ATOM 1335 CE LYS A 141 57.750 -43.165 124.047 1.00 74.90 C ATOM 1336 NZ LYS A 141 58.970 -43.679 124.725 1.00 77.85 N ATOM 1337 HZ1 LYS A 141 59.523 -42.879 125.095 1.00 0.00 H ATOM 1338 HZ2 LYS A 141 58.692 -44.302 125.510 1.00 0.00 H ATOM 1339 HZ3 LYS A 141 59.545 -44.214 124.043 1.00 0.00 H ATOM 1340 H LYS A 141 53.255 -43.056 123.364 1.00 0.00 H ATOM 1341 N ALA A 142 53.269 -39.656 123.352 1.00 54.69 N ATOM 1342 CA ALA A 142 53.122 -38.304 122.825 1.00 62.62 C ATOM 1343 C ALA A 142 51.640 -37.911 122.692 1.00 58.24 C ATOM 1344 O ALA A 142 51.277 -36.777 123.014 1.00 61.44 O ATOM 1345 CB ALA A 142 53.812 -38.245 121.474 1.00 65.75 C ATOM 1346 H ALA A 142 53.655 -40.383 122.716 1.00 0.00 H ATOM 1347 N LEU A 143 50.817 -38.812 122.131 1.00 50.29 N ATOM 1348 CA LEU A 143 49.421 -38.521 121.741 1.00 44.39 C ATOM 1349 C LEU A 143 48.607 -38.187 122.987 1.00 42.79 C ATOM 1350 O LEU A 143 48.888 -38.696 124.066 1.00 42.53 O ATOM 1351 CB LEU A 143 48.802 -39.714 121.018 1.00 40.03 C ATOM 1352 CG LEU A 143 49.567 -40.179 119.777 1.00 40.48 C ATOM 1353 CD1 LEU A 143 49.014 -41.486 119.263 1.00 37.63 C ATOM 1354 CD2 LEU A 143 49.565 -39.108 118.692 1.00 40.84 C ATOM 1355 H LEU A 143 51.183 -39.770 121.961 1.00 0.00 H ATOM 1356 N PRO A 144 47.547 -37.353 122.874 1.00 43.47 N ATOM 1357 CA PRO A 144 46.847 -36.810 124.052 1.00 44.10 C ATOM 1358 C PRO A 144 45.656 -37.746 124.353 1.00 40.69 C ATOM 1359 O PRO A 144 44.500 -37.396 124.130 1.00 38.73 O ATOM 1360 CB PRO A 144 46.391 -35.426 123.568 1.00 45.85 C ATOM 1361 CG PRO A 144 46.129 -35.617 122.069 1.00 44.71 C ATOM 1362 CD PRO A 144 46.983 -36.796 121.621 1.00 44.30 C ATOM 1363 N MET A 145 45.949 -38.977 124.777 1.00 35.65 N ATOM 1364 CA MET A 145 44.941 -39.987 125.076 1.00 32.78 C ATOM 1365 C MET A 145 44.447 -39.792 126.512 1.00 33.65 C ATOM 1366 O MET A 145 45.262 -39.385 127.343 1.00 36.37 O ATOM 1367 CB MET A 145 45.592 -41.359 124.971 1.00 31.77 C ATOM 1368 CG MET A 145 46.144 -41.637 123.589 1.00 33.78 C ATOM 1369 SD MET A 145 44.950 -41.159 122.298 1.00 35.21 S ATOM 1370 CE MET A 145 45.293 -42.424 121.074 1.00 34.59 C ATOM 1371 H MET A 145 46.950 -39.229 124.901 1.00 0.00 H ATOM 1372 N HIS A 146 43.157 -40.049 126.780 1.00 31.62 N ATOM 1373 CA HIS A 146 42.567 -39.872 128.106 1.00 32.75 C ATOM 1374 C HIS A 146 41.748 -41.094 128.533 1.00 31.16 C ATOM 1375 O HIS A 146 41.218 -41.111 129.643 1.00 31.82 O ATOM 1376 CB HIS A 146 41.717 -38.589 128.162 1.00 35.36 C ATOM 1377 CG HIS A 146 42.547 -37.353 128.080 1.00 36.78 C ATOM 1378 ND1 HIS A 146 42.898 -36.780 126.861 1.00 37.34 N ATOM 1379 CD2 HIS A 146 43.236 -36.679 129.020 1.00 39.60 C ATOM 1380 CE1 HIS A 146 43.704 -35.765 127.049 1.00 39.42 C ATOM 1381 NE2 HIS A 146 43.906 -35.655 128.388 1.00 40.30 N ATOM 1382 H HIS A 146 42.549 -40.390 126.008 1.00 0.00 H ATOM 1383 N ILE A 147 41.641 -42.095 127.659 1.00 28.11 N ATOM 1384 CA ILE A 147 41.073 -43.386 128.074 1.00 26.68 C ATOM 1385 C ILE A 147 41.866 -44.476 127.384 1.00 24.86 C ATOM 1386 O ILE A 147 42.182 -44.368 126.205 1.00 23.25 O ATOM 1387 CB ILE A 147 39.576 -43.509 127.766 1.00 27.14 C ATOM 1388 CG1 ILE A 147 39.012 -44.888 128.115 1.00 26.42 C ATOM 1389 CG2 ILE A 147 39.305 -43.199 126.291 1.00 26.71 C ATOM 1390 CD1 ILE A 147 37.522 -44.824 128.412 1.00 28.77 C ATOM 1391 H ILE A 147 41.961 -41.962 126.678 1.00 0.00 H ATOM 1392 N ARG A 148 42.139 -45.538 128.136 1.00 25.09 N ATOM 1393 CA ARG A 148 42.825 -46.733 127.651 1.00 24.03 C ATOM 1394 C ARG A 148 42.122 -47.968 128.227 1.00 23.82 C ATOM 1395 O ARG A 148 41.842 -48.062 129.471 1.00 24.19 O ATOM 1396 CB ARG A 148 44.304 -46.714 128.050 1.00 26.42 C ATOM 1397 CG ARG A 148 45.105 -47.900 127.528 1.00 29.33 C ATOM 1398 CD ARG A 148 46.496 -47.978 128.146 1.00 32.04 C ATOM 1399 NE ARG A 148 47.353 -49.020 127.562 1.00 34.53 N ATOM 1400 CZ ARG A 148 47.319 -50.290 127.937 1.00 34.97 C ATOM 1401 NH1 ARG A 148 46.312 -50.721 128.687 1.00 32.98 N ATOM 1402 NH2 ARG A 148 48.347 -51.080 127.674 1.00 37.20 N ATOM 1403 HE ARG A 148 48.022 -48.745 126.814 1.00 0.00 H ATOM 1404 HH12 ARG A 148 46.276 -51.716 128.987 1.00 0.00 H ATOM 1405 HH11 ARG A 148 45.559 -50.063 128.975 1.00 0.00 H ATOM 1406 HH22 ARG A 148 48.324 -52.078 127.967 1.00 0.00 H ATOM 1407 HH21 ARG A 148 49.178 -50.703 127.175 1.00 0.00 H ATOM 1408 H ARG A 148 41.845 -45.517 129.133 1.00 0.00 H ATOM 1409 N LEU A 149 41.805 -48.911 127.341 1.00 23.07 N ATOM 1410 CA LEU A 149 41.170 -50.187 127.740 1.00 23.45 C ATOM 1411 C LEU A 149 42.065 -51.323 127.271 1.00 24.46 C ATOM 1412 O LEU A 149 42.610 -51.232 126.135 1.00 21.46 O ATOM 1413 CB LEU A 149 39.790 -50.344 127.081 1.00 24.35 C ATOM 1414 CG LEU A 149 38.781 -49.252 127.385 1.00 27.74 C ATOM 1415 CD1 LEU A 149 37.501 -49.518 126.637 1.00 31.53 C ATOM 1416 CD2 LEU A 149 38.498 -49.097 128.870 1.00 30.05 C ATOM 1417 H LEU A 149 42.011 -48.745 126.335 1.00 0.00 H ATOM 1418 N SER A 150 42.096 -52.425 128.047 1.00 22.96 N ATOM 1419 CA SER A 150 42.772 -53.636 127.541 1.00 25.10 C ATOM 1420 C SER A 150 41.952 -54.859 127.938 1.00 24.68 C ATOM 1421 O SER A 150 41.196 -54.799 128.917 1.00 25.60 O ATOM 1422 CB SER A 150 44.235 -53.815 127.900 1.00 25.29 C ATOM 1423 OG SER A 150 44.373 -54.116 129.249 1.00 34.74 O ATOM 1424 HG SER A 150 45.333 -54.229 129.464 1.00 0.00 H ATOM 1425 H SER A 150 41.651 -52.422 128.987 1.00 0.00 H ATOM 1426 N PHE A 151 42.075 -55.918 127.131 1.00 25.43 N ATOM 1427 CA PHE A 151 41.189 -57.101 127.305 1.00 26.59 C ATOM 1428 C PHE A 151 42.015 -58.337 127.653 1.00 26.31 C ATOM 1429 O PHE A 151 43.153 -58.484 127.192 1.00 29.66 O ATOM 1430 CB PHE A 151 40.318 -57.275 126.056 1.00 25.23 C ATOM 1431 CG PHE A 151 39.463 -56.063 125.784 1.00 25.00 C ATOM 1432 CD1 PHE A 151 38.232 -55.870 126.390 1.00 27.80 C ATOM 1433 CD2 PHE A 151 39.927 -55.087 124.928 1.00 26.43 C ATOM 1434 CE1 PHE A 151 37.484 -54.727 126.137 1.00 27.46 C ATOM 1435 CE2 PHE A 151 39.178 -53.951 124.670 1.00 26.85 C ATOM 1436 CZ PHE A 151 37.982 -53.751 125.318 1.00 26.95 C ATOM 1437 H PHE A 151 42.793 -55.915 126.379 1.00 0.00 H ATOM 1438 N ASN A 152 41.384 -59.243 128.406 1.00 25.47 N ATOM 1439 CA ASN A 152 41.976 -60.468 128.781 1.00 26.76 C ATOM 1440 C ASN A 152 41.623 -61.538 127.752 1.00 28.68 C ATOM 1441 O ASN A 152 40.738 -61.351 126.905 1.00 27.20 O ATOM 1442 CB ASN A 152 41.604 -60.817 130.228 1.00 28.73 C ATOM 1443 CG ASN A 152 40.175 -61.287 130.454 1.00 30.59 C ATOM 1444 OD1 ASN A 152 39.615 -62.068 129.691 1.00 30.78 O ATOM 1445 ND2 ASN A 152 39.549 -60.799 131.513 1.00 28.69 N ATOM 1446 HD22 ASN A 152 40.040 -60.138 132.148 1.00 0.00 H ATOM 1447 HD21 ASN A 152 38.566 -61.076 131.710 1.00 0.00 H ATOM 1448 H ASN A 152 40.417 -59.037 128.729 1.00 0.00 H ATOM 1449 N PRO A 153 42.307 -62.703 127.786 1.00 29.58 N ATOM 1450 CA PRO A 153 42.091 -63.730 126.769 1.00 30.77 C ATOM 1451 C PRO A 153 40.663 -64.273 126.727 1.00 32.20 C ATOM 1452 O PRO A 153 40.253 -64.727 125.653 1.00 33.19 O ATOM 1453 CB PRO A 153 43.059 -64.854 127.171 1.00 32.57 C ATOM 1454 CG PRO A 153 44.186 -64.082 127.818 1.00 32.63 C ATOM 1455 CD PRO A 153 43.442 -63.054 128.656 1.00 31.57 C ATOM 1456 N THR A 154 39.998 -64.365 127.890 1.00 32.80 N ATOM 1457 CA THR A 154 38.637 -64.865 127.960 1.00 34.53 C ATOM 1458 C THR A 154 37.752 -63.920 127.141 1.00 34.08 C ATOM 1459 O THR A 154 37.043 -64.350 126.236 1.00 34.90 O ATOM 1460 CB THR A 154 38.139 -65.000 129.408 1.00 36.66 C ATOM 1461 OG1 THR A 154 39.059 -65.807 130.139 1.00 36.70 O ATOM 1462 CG2 THR A 154 36.781 -65.663 129.490 1.00 39.25 C ATOM 1463 HG1 THR A 154 39.951 -65.379 130.130 1.00 0.00 H ATOM 1464 H THR A 154 40.472 -64.069 128.767 1.00 0.00 H ATOM 1465 N GLN A 155 37.851 -62.622 127.452 1.00 32.55 N ATOM 1466 CA GLN A 155 37.137 -61.535 126.748 1.00 31.55 C ATOM 1467 C GLN A 155 37.403 -61.535 125.245 1.00 30.29 C ATOM 1468 O GLN A 155 36.487 -61.301 124.460 1.00 32.95 O ATOM 1469 CB GLN A 155 37.487 -60.163 127.315 1.00 28.93 C ATOM 1470 CG GLN A 155 37.005 -59.993 128.754 1.00 30.04 C ATOM 1471 CD GLN A 155 37.533 -58.742 129.406 1.00 28.89 C ATOM 1472 OE1 GLN A 155 38.630 -58.317 129.114 1.00 27.82 O ATOM 1473 NE2 GLN A 155 36.812 -58.225 130.383 1.00 30.54 N ATOM 1474 HE22 GLN A 155 35.875 -58.619 130.602 1.00 0.00 H ATOM 1475 HE21 GLN A 155 37.181 -57.424 130.934 1.00 0.00 H ATOM 1476 H GLN A 155 38.473 -62.360 128.243 1.00 0.00 H ATOM 1477 N LEU A 156 38.655 -61.750 124.845 1.00 28.82 N ATOM 1478 CA LEU A 156 39.036 -61.709 123.441 1.00 29.19 C ATOM 1479 C LEU A 156 38.312 -62.794 122.627 1.00 30.92 C ATOM 1480 O LEU A 156 38.135 -62.636 121.421 1.00 29.83 O ATOM 1481 CB LEU A 156 40.551 -61.900 123.309 1.00 29.15 C ATOM 1482 CG LEU A 156 41.383 -60.708 123.774 1.00 28.21 C ATOM 1483 CD1 LEU A 156 42.856 -61.028 123.650 1.00 29.08 C ATOM 1484 CD2 LEU A 156 41.005 -59.495 122.940 1.00 27.33 C ATOM 1485 H LEU A 156 39.384 -61.954 125.559 1.00 0.00 H ATOM 1486 N GLU A 157 37.876 -63.864 123.290 1.00 31.55 N ATOM 1487 CA GLU A 157 37.192 -64.962 122.606 1.00 36.90 C ATOM 1488 C GLU A 157 35.666 -64.805 122.626 1.00 40.99 C ATOM 1489 O GLU A 157 34.993 -65.678 122.066 1.00 45.13 O ATOM 1490 CB GLU A 157 37.616 -66.301 123.209 1.00 37.95 C ATOM 1491 CG GLU A 157 38.971 -66.722 122.669 1.00 38.43 C ATOM 1492 CD GLU A 157 38.914 -67.214 121.236 1.00 39.10 C ATOM 1493 OE1 GLU A 157 38.316 -68.277 121.044 1.00 38.99 O ATOM 1494 OE2 GLU A 157 39.269 -66.436 120.373 1.00 40.20 O ATOM 1495 H GLU A 157 38.025 -63.920 124.318 1.00 0.00 H ATOM 1496 N GLU A 158 35.151 -63.697 123.176 1.00 39.62 N ATOM 1497 CA GLU A 158 33.726 -63.423 123.229 1.00 42.32 C ATOM 1498 C GLU A 158 33.344 -62.322 122.238 1.00 41.46 C ATOM 1499 O GLU A 158 34.110 -61.387 122.046 1.00 36.80 O ATOM 1500 CB GLU A 158 33.320 -62.962 124.631 1.00 45.03 C ATOM 1501 CG GLU A 158 33.641 -63.971 125.707 1.00 47.56 C ATOM 1502 CD GLU A 158 32.713 -65.169 125.682 1.00 53.67 C ATOM 1503 OE1 GLU A 158 31.761 -65.202 124.853 1.00 54.22 O ATOM 1504 OE2 GLU A 158 32.966 -66.059 126.499 1.00 54.91 O ATOM 1505 H GLU A 158 35.804 -62.999 123.585 1.00 0.00 H ATOM 1506 N GLN A 159 32.104 -62.379 121.745 1.00 44.03 N ATOM 1507 CA GLN A 159 31.562 -61.327 120.881 1.00 46.62 C ATOM 1508 C GLN A 159 31.514 -60.022 121.691 1.00 42.73 C ATOM 1509 O GLN A 159 30.991 -60.001 122.758 1.00 42.70 O ATOM 1510 CB GLN A 159 30.172 -61.710 120.358 1.00 53.38 C ATOM 1511 CG GLN A 159 30.163 -62.916 119.424 1.00 56.73 C ATOM 1512 CD GLN A 159 30.471 -62.605 117.982 1.00 60.08 C ATOM 1513 OE1 GLN A 159 30.900 -61.518 117.601 1.00 65.35 O ATOM 1514 NE2 GLN A 159 30.250 -63.595 117.132 1.00 71.06 N ATOM 1515 HE22 GLN A 159 29.887 -64.506 117.478 1.00 0.00 H ATOM 1516 HE21 GLN A 159 30.440 -63.462 116.118 1.00 0.00 H ATOM 1517 H GLN A 159 31.505 -63.195 121.982 1.00 0.00 H ATOM 1518 N CYS A 160 32.067 -58.932 121.150 1.00 39.57 N ATOM 1519 CA CYS A 160 32.115 -57.629 121.784 1.00 38.53 C ATOM 1520 C CYS A 160 32.851 -57.697 123.134 1.00 37.26 C ATOM 1521 O CYS A 160 32.705 -56.801 123.939 1.00 36.32 O ATOM 1522 CB CYS A 160 30.720 -57.030 121.930 1.00 42.71 C ATOM 1523 SG CYS A 160 30.062 -56.436 120.347 1.00 44.90 S ATOM 1524 H CYS A 160 32.494 -59.025 120.206 1.00 0.00 H ATOM 1525 N HIS A 161 33.739 -58.686 123.305 1.00 36.19 N ATOM 1526 CA HIS A 161 34.659 -58.756 124.434 1.00 36.10 C ATOM 1527 C HIS A 161 33.894 -58.718 125.770 1.00 37.98 C ATOM 1528 O HIS A 161 34.404 -58.157 126.719 1.00 36.94 O ATOM 1529 CB HIS A 161 35.713 -57.643 124.367 1.00 32.79 C ATOM 1530 CG HIS A 161 36.674 -57.750 123.229 1.00 31.30 C ATOM 1531 ND1 HIS A 161 37.861 -57.038 123.205 1.00 28.34 N ATOM 1532 CD2 HIS A 161 36.648 -58.493 122.098 1.00 32.75 C ATOM 1533 CE1 HIS A 161 38.519 -57.346 122.105 1.00 29.49 C ATOM 1534 NE2 HIS A 161 37.800 -58.236 121.397 1.00 30.06 N ATOM 1535 H HIS A 161 33.774 -59.444 122.594 1.00 0.00 H ATOM 1536 N ILE A 162 32.705 -59.328 125.814 1.00 41.67 N ATOM 1537 CA ILE A 162 31.848 -59.401 127.008 1.00 48.37 C ATOM 1538 C ILE A 162 32.583 -60.169 128.102 1.00 48.22 C ATOM 1539 O ILE A 162 33.244 -61.157 127.800 1.00 49.77 O ATOM 1540 CB ILE A 162 30.515 -60.090 126.659 1.00 51.65 C ATOM 1541 CG1 ILE A 162 29.554 -59.103 125.992 1.00 53.58 C ATOM 1542 CG2 ILE A 162 29.892 -60.753 127.866 1.00 59.81 C ATOM 1543 CD1 ILE A 162 29.800 -57.660 126.352 1.00 52.66 C ATOM 1544 OXT ILE A 162 32.467 -59.795 129.269 1.00 49.73 O ATOM 1545 H ILE A 162 32.362 -59.783 124.944 1.00 0.00 H TER 1546 ILE A 162 HETATM 1547 O HOH 1 51.744 -44.393 126.343 1.00 35.47 O HETATM 1548 O HOH 2 51.708 -37.278 116.676 1.00 49.15 O HETATM 1549 O HOH 3 34.094 -59.341 131.032 1.00 41.37 O HETATM 1550 O HOH 4 58.987 -51.717 107.000 1.00 53.32 O HETATM 1551 O HOH 5 30.725 -51.074 120.841 1.00 46.28 O HETATM 1552 O HOH 6 36.896 -70.051 122.087 1.00 34.23 O HETATM 1553 O HOH 7 56.492 -47.125 112.697 1.00 42.80 O HETATM 1554 O HOH 8 56.085 -47.939 119.746 1.00 39.06 O HETATM 1555 O HOH 9 30.537 -64.241 122.514 1.00 57.56 O HETATM 1556 O HOH 10 50.756 -63.851 127.051 1.00 69.19 O HETATM 1557 O HOH 11 54.126 -47.561 104.281 1.00 35.14 O HETATM 1558 O HOH 12 38.448 -48.669 119.678 1.00 37.77 O HETATM 1559 O HOH 13 37.462 -35.199 126.433 1.00 46.71 O HETATM 1560 O HOH 14 49.002 -49.778 101.520 1.00 39.47 O HETATM 1561 O HOH 15 56.279 -49.246 116.973 1.00 45.09 O HETATM 1562 O HOH 16 50.918 -61.617 119.769 1.00 54.12 O HETATM 1563 O HOH 17 40.979 -62.077 105.352 1.00 41.31 O HETATM 1564 O HOH 18 41.268 -64.568 130.809 1.00 41.18 O HETATM 1565 O HOH 19 51.247 -61.624 128.743 1.00 56.56 O HETATM 1566 O HOH 20 54.755 -58.984 119.530 1.00 47.11 O HETATM 1567 O HOH 21 50.835 -51.579 100.986 1.00 37.15 O HETATM 1568 O HOH 22 47.769 -64.128 127.529 1.00 33.33 O HETATM 1569 O HOH 23 53.059 -51.267 128.129 1.00 40.05 O HETATM 1570 O HOH 24 49.157 -45.774 126.723 1.00 34.98 O HETATM 1571 O HOH 25 35.775 -66.676 126.048 1.00 34.85 O HETATM 1572 O HOH 26 31.651 -57.491 130.353 1.00 46.72 O HETATM 1573 O HOH 27 38.725 -57.790 118.524 1.00 21.17 O HETATM 1574 O HOH 28 54.190 -43.598 105.756 1.00 35.17 O HETATM 1575 O HOH 29 34.723 -62.898 129.225 1.00 44.54 O HETATM 1576 O HOH 30 43.150 -35.108 123.676 1.00 40.56 O HETATM 1577 O HOH 31 49.030 -41.354 125.836 1.00 40.77 O HETATM 1578 O HOH 32 40.157 -56.685 130.627 1.00 16.29 O HETATM 1579 O HOH 33 37.922 -60.379 119.759 1.00 27.83 O HETATM 1580 O HOH 34 58.037 -53.899 122.788 1.00 48.82 O HETATM 1581 O HOH 35 47.573 -37.873 111.277 1.00 52.19 O HETATM 1582 O HOH 36 59.122 -55.217 115.252 1.00 46.62 O HETATM 1583 O HOH 37 53.319 -42.269 117.585 1.00 21.54 O HETATM 1584 O HOH 38 53.639 -53.909 128.081 1.00 46.19 O HETATM 1585 O HOH 39 47.086 -49.746 99.516 1.00 39.52 O HETATM 1586 O HOH 40 34.564 -55.812 128.181 1.00 40.10 O HETATM 1587 O HOH 41 47.108 -37.318 127.592 1.00 40.81 O HETATM 1588 O HOH 42 44.167 -49.802 130.218 1.00 33.32 O HETATM 1589 O HOH 43 48.280 -53.213 129.474 1.00 43.35 O HETATM 1590 O HOH 44 45.349 -57.231 128.417 1.00 36.21 O HETATM 1591 O HOH 45 53.326 -61.562 126.746 1.00 58.96 O HETATM 1592 O HOH 46 57.081 -54.371 105.738 1.00 43.48 O HETATM 1593 O HOH 47 58.628 -51.401 116.218 1.00 51.66 O HETATM 1594 O HOH 48 46.804 -46.423 101.136 1.00 28.92 O HETATM 1595 O HOH 49 49.397 -63.072 117.984 1.00 47.25 O HETATM 1596 O HOH 50 53.132 -45.253 103.963 1.00 42.35 O HETATM 1597 O HOH 51 45.780 -39.851 98.184 1.00 60.42 O HETATM 1598 O HOH 52 48.769 -62.082 121.201 1.00 40.75 O HETATM 1599 O HOH 53 58.304 -47.251 110.033 1.00 48.17 O HETATM 1600 O HOH 54 23.030 -50.073 123.203 1.00 55.88 O HETATM 1601 O HOH 55 41.017 -58.469 132.681 1.00 41.72 O HETATM 1602 O HOH 56 46.844 -39.900 102.457 1.00 35.43 O HETATM 1603 O HOH 57 37.988 -36.935 127.983 1.00 12.63 O HETATM 1604 O HOH 58 42.610 -67.558 124.614 1.00 25.38 O HETATM 1605 O HOH 59 56.658 -45.548 118.978 1.00 42.58 O HETATM 1606 O HOH 60 50.012 -35.418 125.425 1.00 65.57 O HETATM 1607 O HOH 61 39.841 -46.671 96.180 1.00 49.97 O HETATM 1608 O HOH 62 51.401 -45.217 96.406 1.00 55.93 O HETATM 1609 O HOH 63 49.527 -38.828 106.941 1.00 43.95 O HETATM 1610 O HOH 64 31.977 -35.258 125.535 1.00 66.04 O HETATM 1611 O HOH 65 36.500 -62.191 131.812 1.00 35.82 O HETATM 1612 O HOH 66 41.485 -62.986 133.360 1.00 45.86 O HETATM 1613 O HOH 67 43.183 -32.509 127.125 1.00 50.16 O HETATM 1614 O HOH 68 42.512 -63.956 105.239 1.00 54.76 O HETATM 1615 O HOH 69 46.192 -49.132 132.024 1.00 32.58 O HETATM 1616 O HOH 70 34.905 -36.172 102.142 1.00 60.80 O HETATM 1617 O HOH 71 48.088 -47.554 131.058 1.00 44.04 O HETATM 1618 O HOH 72 34.059 -55.483 130.947 1.00 39.83 O HETATM 1619 O HOH 73 34.401 -63.254 118.306 1.00 28.08 O HETATM 1620 O HOH 74 44.945 -31.695 129.178 1.00 38.25 O HETATM 1621 O HOH 75 48.676 -58.929 131.420 1.00 50.19 O HETATM 1622 O21 TDA A 76 29.748 -47.255 113.266 1.00 -0.57 O HETATM 1623 C21 TDA A 76 30.836 -47.721 112.841 1.00 0.03 C HETATM 1624 O22 TDA A 76 30.787 -48.735 112.092 1.00 -0.57 O HETATM 1625 C22 TDA A 76 32.129 -47.085 113.263 1.00 0.00 C HETATM 1626 C23 TDA A 76 33.313 -47.048 112.346 1.00 -0.04 C HETATM 1627 C24 TDA A 76 34.670 -47.251 112.940 1.00 -0.04 C HETATM 1628 C25 TDA A 76 35.829 -47.507 112.043 1.00 -0.04 C HETATM 1629 C26 TDA A 76 36.716 -48.677 112.263 1.00 -0.10 C HETATM 1630 C27 TDA A 76 38.039 -48.721 111.580 1.00 -0.10 C HETATM 1631 C28 TDA A 76 38.980 -49.840 111.851 1.00 -0.03 C HETATM 1632 C29 TDA A 76 40.297 -49.776 111.180 1.00 -0.04 C HETATM 1633 C30 TDA A 76 41.222 -50.921 111.206 1.00 -0.03 C HETATM 1634 C31 TDA A 76 42.423 -50.749 110.378 1.00 -0.10 C HETATM 1635 C32 TDA A 76 43.516 -51.727 110.498 1.00 -0.10 C HETATM 1636 C33 TDA A 76 44.662 -51.548 109.574 1.00 -0.05 C HETATM 1637 H19 TDA A 76 45.408 -52.334 109.759 1.00 0.04 H HETATM 1638 H20 TDA A 76 45.119 -50.562 109.743 1.00 0.04 H HETATM 1639 H21 TDA A 76 44.309 -51.615 108.534 1.00 0.04 H HETATM 1640 H18 TDA A 76 43.485 -52.537 111.225 1.00 0.04 H HETATM 1641 H17 TDA A 76 42.503 -49.911 109.687 1.00 0.04 H HETATM 1642 H15 TDA A 76 40.681 -51.809 110.847 1.00 0.04 H HETATM 1643 H16 TDA A 76 41.541 -51.082 112.246 1.00 0.04 H HETATM 1644 H13 TDA A 76 40.836 -48.929 111.631 1.00 0.03 H HETATM 1645 H14 TDA A 76 40.097 -49.561 110.120 1.00 0.03 H HETATM 1646 H11 TDA A 76 38.489 -50.772 111.535 1.00 0.04 H HETATM 1647 H12 TDA A 76 39.160 -49.870 112.936 1.00 0.04 H HETATM 1648 H10 TDA A 76 38.317 -47.933 110.882 1.00 0.04 H HETATM 1649 H9 TDA A 76 36.404 -49.492 112.915 1.00 0.04 H HETATM 1650 H7 TDA A 76 36.469 -46.614 112.095 1.00 0.04 H HETATM 1651 H8 TDA A 76 35.422 -47.608 111.026 1.00 0.04 H HETATM 1652 H5 TDA A 76 34.596 -48.111 113.621 1.00 0.03 H HETATM 1653 H6 TDA A 76 34.906 -46.345 113.517 1.00 0.03 H HETATM 1654 H3 TDA A 76 33.315 -46.064 111.855 1.00 0.03 H HETATM 1655 H4 TDA A 76 33.166 -47.834 111.591 1.00 0.03 H HETATM 1656 H1 TDA A 76 32.455 -47.614 114.171 1.00 0.04 H HETATM 1657 H2 TDA A 76 31.895 -46.039 113.512 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 613 612 1523 CONECT 1011 1010 1124 CONECT 1124 1011 1123 CONECT 1523 613 1522 CONECT 1622 1623 CONECT 1623 1622 1624 1625 CONECT 1624 1623 CONECT 1625 1623 1626 1656 1657 CONECT 1626 1625 1627 1654 1655 CONECT 1627 1626 1628 1652 1653 CONECT 1628 1627 1629 1650 1651 CONECT 1629 1628 1630 1649 CONECT 1630 1629 1631 1648 CONECT 1631 1630 1632 1646 1647 CONECT 1632 1631 1633 1644 1645 CONECT 1633 1632 1634 1642 1643 CONECT 1634 1633 1635 1641 CONECT 1635 1634 1636 1640 CONECT 1636 1635 1637 1638 1639 CONECT 1637 1636 CONECT 1638 1636 CONECT 1639 1636 CONECT 1640 1635 CONECT 1641 1634 CONECT 1642 1633 CONECT 1643 1633 CONECT 1644 1632 CONECT 1645 1632 CONECT 1646 1631 CONECT 1647 1631 CONECT 1648 1630 CONECT 1649 1629 CONECT 1650 1628 CONECT 1651 1628 CONECT 1652 1627 CONECT 1653 1627 CONECT 1654 1626 CONECT 1655 1626 CONECT 1656 1625 CONECT 1657 1625 MASTER 0 0 0 0 0 0 0 0 1656 1 44 13 END
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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
6ghh
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Beta-lactoglobulin
Ligand Name
TDA
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.193uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Int. J. Biol. Macromol. Vol. 118: pp. 296-303
Ligand Properties
Formula
C
1
3
H
2
2
O
2
Molecular Weight
210.313
Exact Mass
210.162
No. of atoms
37
No. of bonds
36
Polar Surface Area
37.3
LOGP Value
5.18 (
Computed with XLOGP3
)
3.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
C/C=C/CCC/C=C/CCCCC(=O)O
InChI String
InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-3,7-8H,4-6,9-12H2,1H3,(H,14,15)/b3-2+,8-7+
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P02754
Entrez Gene ID
NCBI Entrez Gene ID:
280838
ASD
Information of known allosteric effects of PDB entries
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