Browse entries in the PDBbind-CN Database
HEADER 5X73_COMPLEX COMPND 5X73_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET SER ALA LYS ASP GLU ARG ALA ARG GLU ILE LEU ARG SEQRES 2 A 112 GLY PHE LYS LEU ASN TRP MET ASN LEU ARG ASP ALA GLU SEQRES 3 A 112 THR GLY LYS ILE LEU TRP GLN GLY THR GLU ASP LEU SER SEQRES 4 A 112 VAL PRO GLY VAL GLU HIS GLU ALA ARG VAL PRO LYS LYS SEQRES 5 A 112 ILE LEU LYS CYS LYS ALA VAL SER ARG GLU LEU ASN PHE SEQRES 6 A 112 SER SER THR GLU GLN MET GLU LYS PHE ARG LEU GLU GLN SEQRES 7 A 112 LYS VAL TYR PHE LYS GLY GLN CYS LEU GLU GLU TRP PHE SEQRES 8 A 112 PHE GLU PHE GLY PHE VAL ILE PRO ASN SER THR ASN THR SEQRES 9 A 112 TRP GLN SER LEU ILE GLU ALA ALA SEQRES 1 A 36 SER GLN MET MET PRO ALA SER VAL LEU THR GLY ASN VAL SEQRES 2 A 36 ILE ILE GLU THR LYS PHE PHE ASP ASP ASP LEU LEU VAL SEQRES 3 A 36 SER THR SER ARG VAL ARG LEU PHE TYR VAL HET P A 59 39 ATOM 1 N MET A 1 28.861 -46.419 6.238 1.00 93.84 N ATOM 2 CA MET A 1 29.410 -45.138 5.668 1.00 86.47 C ATOM 3 C MET A 1 29.186 -45.069 4.145 1.00 80.03 C ATOM 4 O MET A 1 29.877 -45.753 3.384 1.00 75.42 O ATOM 5 CB MET A 1 30.906 -45.007 6.014 1.00 92.47 C ATOM 6 CG MET A 1 31.491 -43.622 5.790 1.00 94.41 C ATOM 7 SD MET A 1 30.682 -42.362 6.789 1.00103.96 S ATOM 8 CE MET A 1 31.392 -40.863 6.133 1.00100.52 C ATOM 9 HN3 MET A 1 29.340 -47.228 5.793 1.00 0.00 H ATOM 10 HN2 MET A 1 27.840 -46.472 6.048 1.00 0.00 H ATOM 11 HN1 MET A 1 29.026 -46.439 7.265 1.00 0.00 H ATOM 12 N SER A 2 28.198 -44.281 3.701 1.00 69.91 N ATOM 13 CA SER A 2 27.910 -44.129 2.267 1.00 70.71 C ATOM 14 C SER A 2 28.693 -42.964 1.642 1.00 73.20 C ATOM 15 O SER A 2 29.261 -42.104 2.322 1.00 68.54 O ATOM 16 CB SER A 2 26.420 -43.853 2.043 1.00 73.66 C ATOM 17 OG SER A 2 25.965 -42.909 2.997 1.00 71.41 O ATOM 18 HG SER A 2 26.100 -43.271 3.908 1.00 0.00 H ATOM 19 H SER A 2 27.618 -43.762 4.390 1.00 0.00 H ATOM 20 N ALA A 3 28.679 -42.954 0.326 1.00 65.56 N ATOM 21 CA ALA A 3 29.242 -41.883 -0.454 1.00 77.65 C ATOM 22 C ALA A 3 28.574 -40.517 -0.144 1.00 81.93 C ATOM 23 O ALA A 3 29.251 -39.478 -0.081 1.00 68.34 O ATOM 24 CB ALA A 3 29.114 -42.225 -1.931 1.00 67.19 C ATOM 25 H ALA A 3 28.242 -43.755 -0.172 1.00 0.00 H ATOM 26 N LYS A 4 27.258 -40.548 0.043 1.00 80.63 N ATOM 27 CA LYS A 4 26.488 -39.377 0.417 1.00 80.79 C ATOM 28 C LYS A 4 26.946 -38.833 1.764 1.00 71.30 C ATOM 29 O LYS A 4 27.109 -37.640 1.924 1.00 66.84 O ATOM 30 CB LYS A 4 24.997 -39.717 0.448 1.00 83.60 C ATOM 31 CG LYS A 4 24.430 -39.880 -0.951 1.00 97.80 C ATOM 32 CD LYS A 4 22.943 -40.191 -0.941 1.00112.81 C ATOM 33 CE LYS A 4 22.109 -38.921 -0.918 1.00116.20 C ATOM 34 NZ LYS A 4 20.698 -39.202 -0.539 1.00123.93 N ATOM 35 HZ1 LYS A 4 20.279 -39.859 -1.228 1.00 0.00 H ATOM 36 HZ2 LYS A 4 20.673 -39.630 0.409 1.00 0.00 H ATOM 37 HZ3 LYS A 4 20.158 -38.313 -0.533 1.00 0.00 H ATOM 38 H LYS A 4 26.759 -41.451 -0.084 1.00 0.00 H ATOM 39 N ASP A 5 27.171 -39.732 2.715 1.00 67.42 N ATOM 40 CA ASP A 5 27.672 -39.369 4.021 1.00 62.49 C ATOM 41 C ASP A 5 29.011 -38.621 3.991 1.00 68.00 C ATOM 42 O ASP A 5 29.235 -37.653 4.759 1.00 58.66 O ATOM 43 CB ASP A 5 27.825 -40.615 4.881 1.00 66.15 C ATOM 44 CG ASP A 5 26.482 -41.113 5.446 1.00 82.25 C ATOM 45 OD1 ASP A 5 25.636 -40.252 5.765 1.00 81.96 O ATOM 46 OD2 ASP A 5 26.279 -42.353 5.581 1.00 75.38 O ATOM 47 H ASP A 5 26.980 -40.734 2.513 1.00 0.00 H ATOM 48 N GLU A 6 29.872 -39.099 3.106 1.00 57.01 N ATOM 49 CA GLU A 6 31.224 -38.697 3.021 1.00 58.70 C ATOM 50 C GLU A 6 31.271 -37.304 2.382 1.00 56.13 C ATOM 51 O GLU A 6 32.057 -36.480 2.751 1.00 49.27 O ATOM 52 CB GLU A 6 31.932 -39.714 2.161 1.00 62.51 C ATOM 53 CG GLU A 6 33.388 -39.453 1.916 1.00 76.29 C ATOM 54 CD GLU A 6 34.199 -39.574 3.169 1.00 95.76 C ATOM 55 OE1 GLU A 6 33.771 -40.318 4.093 1.00103.26 O ATOM 56 OE2 GLU A 6 35.262 -38.915 3.215 1.00107.84 O ATOM 57 H GLU A 6 29.532 -39.814 2.432 1.00 0.00 H ATOM 58 N ARG A 7 30.401 -37.093 1.416 1.00 49.68 N ATOM 59 CA ARG A 7 30.258 -35.851 0.713 1.00 56.38 C ATOM 60 C ARG A 7 29.825 -34.745 1.672 1.00 62.03 C ATOM 61 O ARG A 7 30.459 -33.682 1.718 1.00 54.61 O ATOM 62 CB ARG A 7 29.225 -36.029 -0.425 1.00 58.05 C ATOM 63 CG ARG A 7 28.999 -34.817 -1.334 1.00 63.59 C ATOM 64 CD ARG A 7 30.220 -34.491 -2.173 1.00 67.04 C ATOM 65 NE ARG A 7 30.159 -33.151 -2.751 1.00 72.73 N ATOM 66 CZ ARG A 7 31.153 -32.248 -2.766 1.00 67.73 C ATOM 67 NH1 ARG A 7 32.360 -32.493 -2.248 1.00 66.65 N ATOM 68 NH2 ARG A 7 30.928 -31.069 -3.312 1.00 57.84 N ATOM 69 HE ARG A 7 29.261 -32.869 -3.193 1.00 0.00 H ATOM 70 HH12 ARG A 7 33.099 -31.762 -2.283 1.00 0.00 H ATOM 71 HH11 ARG A 7 32.561 -33.415 -1.810 1.00 0.00 H ATOM 72 HH22 ARG A 7 31.683 -30.354 -3.335 1.00 0.00 H ATOM 73 HH21 ARG A 7 29.996 -30.854 -3.720 1.00 0.00 H ATOM 74 H ARG A 7 29.776 -37.879 1.145 1.00 0.00 H ATOM 75 N ALA A 8 28.756 -35.030 2.428 1.00 51.08 N ATOM 76 CA ALA A 8 28.227 -34.130 3.426 1.00 57.71 C ATOM 77 C ALA A 8 29.296 -33.655 4.389 1.00 49.94 C ATOM 78 O ALA A 8 29.339 -32.503 4.741 1.00 46.82 O ATOM 79 CB ALA A 8 27.096 -34.788 4.203 1.00 58.00 C ATOM 80 H ALA A 8 28.283 -35.946 2.289 1.00 0.00 H ATOM 81 N ARG A 9 30.152 -34.555 4.805 1.00 48.29 N ATOM 82 CA ARG A 9 31.204 -34.208 5.736 1.00 54.94 C ATOM 83 C ARG A 9 32.250 -33.308 5.074 1.00 51.71 C ATOM 84 O ARG A 9 32.769 -32.398 5.701 1.00 46.04 O ATOM 85 CB ARG A 9 31.839 -35.473 6.279 1.00 58.41 C ATOM 86 CG ARG A 9 30.954 -36.220 7.283 1.00 58.90 C ATOM 87 CD ARG A 9 31.541 -37.601 7.451 1.00 65.35 C ATOM 88 NE ARG A 9 30.910 -38.340 8.526 1.00 74.14 N ATOM 89 CZ ARG A 9 31.560 -39.000 9.493 1.00 88.29 C ATOM 90 NH1 ARG A 9 32.911 -39.058 9.539 1.00 83.09 N ATOM 91 NH2 ARG A 9 30.846 -39.627 10.433 1.00 81.60 N ATOM 92 HE ARG A 9 29.870 -38.359 8.548 1.00 0.00 H ATOM 93 HH12 ARG A 9 33.383 -39.580 10.305 1.00 0.00 H ATOM 94 HH11 ARG A 9 33.477 -38.581 8.809 1.00 0.00 H ATOM 95 HH22 ARG A 9 31.330 -40.146 11.194 1.00 0.00 H ATOM 96 HH21 ARG A 9 29.807 -39.596 10.404 1.00 0.00 H ATOM 97 H ARG A 9 30.074 -35.533 4.461 1.00 0.00 H ATOM 98 N GLU A 10 32.521 -33.551 3.800 1.00 46.80 N ATOM 99 CA GLU A 10 33.438 -32.721 3.090 1.00 53.01 C ATOM 100 C GLU A 10 32.876 -31.310 2.894 1.00 49.21 C ATOM 101 O GLU A 10 33.608 -30.349 3.005 1.00 48.08 O ATOM 102 CB GLU A 10 33.848 -33.372 1.782 1.00 58.92 C ATOM 103 CG GLU A 10 34.971 -32.606 1.053 1.00 83.24 C ATOM 104 CD GLU A 10 36.191 -32.193 1.929 1.00 95.23 C ATOM 105 OE1 GLU A 10 36.423 -30.943 2.117 1.00 87.40 O ATOM 106 OE2 GLU A 10 36.913 -33.118 2.416 1.00 73.38 O ATOM 107 H GLU A 10 32.063 -34.350 3.316 1.00 0.00 H ATOM 108 N ILE A 11 31.571 -31.201 2.643 1.00 49.91 N ATOM 109 CA ILE A 11 30.929 -29.918 2.473 1.00 49.14 C ATOM 110 C ILE A 11 30.967 -29.160 3.796 1.00 48.79 C ATOM 111 O ILE A 11 31.253 -27.967 3.862 1.00 50.21 O ATOM 112 CB ILE A 11 29.468 -30.076 2.006 1.00 53.14 C ATOM 113 CG1 ILE A 11 29.417 -30.594 0.570 1.00 53.79 C ATOM 114 CG2 ILE A 11 28.739 -28.725 1.992 1.00 54.86 C ATOM 115 CD1 ILE A 11 28.023 -30.952 0.037 1.00 50.46 C ATOM 116 H ILE A 11 30.998 -32.066 2.567 1.00 0.00 H ATOM 117 N LEU A 12 30.672 -29.871 4.857 1.00 44.89 N ATOM 118 CA LEU A 12 30.730 -29.282 6.160 1.00 47.05 C ATOM 119 C LEU A 12 32.140 -28.760 6.475 1.00 47.54 C ATOM 120 O LEU A 12 32.330 -27.599 6.852 1.00 46.13 O ATOM 121 CB LEU A 12 30.330 -30.316 7.182 1.00 39.88 C ATOM 122 CG LEU A 12 30.316 -29.778 8.617 1.00 47.72 C ATOM 123 CD1 LEU A 12 29.442 -28.542 8.770 1.00 44.67 C ATOM 124 CD2 LEU A 12 29.855 -30.868 9.568 1.00 43.79 C ATOM 125 H LEU A 12 30.395 -30.868 4.751 1.00 0.00 H ATOM 126 N ARG A 13 33.105 -29.635 6.273 1.00 42.07 N ATOM 127 CA ARG A 13 34.506 -29.327 6.484 1.00 45.47 C ATOM 128 C ARG A 13 34.937 -28.032 5.782 1.00 44.32 C ATOM 129 O ARG A 13 35.626 -27.217 6.341 1.00 44.18 O ATOM 130 CB ARG A 13 35.358 -30.481 5.993 1.00 37.80 C ATOM 131 CG ARG A 13 36.777 -30.244 6.238 1.00 38.72 C ATOM 132 CD ARG A 13 37.641 -31.419 5.813 1.00 46.08 C ATOM 133 NE ARG A 13 39.013 -31.008 5.887 1.00 46.06 N ATOM 134 CZ ARG A 13 39.691 -30.863 7.025 1.00 53.59 C ATOM 135 NH1 ARG A 13 39.141 -31.184 8.195 1.00 60.59 N ATOM 136 NH2 ARG A 13 40.948 -30.431 6.998 1.00 47.81 N ATOM 137 HE ARG A 13 39.511 -30.810 4.995 1.00 0.00 H ATOM 138 HH12 ARG A 13 39.683 -31.065 9.075 1.00 0.00 H ATOM 139 HH11 ARG A 13 38.169 -31.554 8.229 1.00 0.00 H ATOM 140 HH22 ARG A 13 41.478 -30.317 7.886 1.00 0.00 H ATOM 141 HH21 ARG A 13 41.401 -30.207 6.089 1.00 0.00 H ATOM 142 H ARG A 13 32.850 -30.589 5.948 1.00 0.00 H ATOM 143 N GLY A 14 34.452 -27.838 4.581 1.00 42.77 N ATOM 144 CA GLY A 14 34.813 -26.682 3.843 1.00 46.26 C ATOM 145 C GLY A 14 33.872 -25.530 4.040 1.00 49.19 C ATOM 146 O GLY A 14 33.991 -24.561 3.323 1.00 45.45 O ATOM 147 H GLY A 14 33.800 -28.534 4.167 1.00 0.00 H ATOM 148 N PHE A 15 32.921 -25.628 4.965 1.00 46.71 N ATOM 149 CA PHE A 15 31.931 -24.601 5.065 1.00 44.88 C ATOM 150 C PHE A 15 32.220 -23.733 6.274 1.00 45.49 C ATOM 151 O PHE A 15 32.555 -24.220 7.349 1.00 45.87 O ATOM 152 CB PHE A 15 30.528 -25.187 5.138 1.00 48.60 C ATOM 153 CG PHE A 15 29.470 -24.160 5.234 1.00 42.91 C ATOM 154 CD1 PHE A 15 29.135 -23.623 6.462 1.00 52.39 C ATOM 155 CD2 PHE A 15 28.831 -23.679 4.092 1.00 48.56 C ATOM 156 CE1 PHE A 15 28.160 -22.621 6.555 1.00 53.01 C ATOM 157 CE2 PHE A 15 27.858 -22.677 4.156 1.00 44.42 C ATOM 158 CZ PHE A 15 27.540 -22.140 5.391 1.00 50.43 C ATOM 159 H PHE A 15 32.898 -26.444 5.609 1.00 0.00 H ATOM 160 N LYS A 16 32.026 -22.438 6.087 1.00 48.78 N ATOM 161 CA LYS A 16 32.246 -21.474 7.132 1.00 55.40 C ATOM 162 C LYS A 16 31.201 -20.369 7.015 1.00 52.70 C ATOM 163 O LYS A 16 31.011 -19.774 5.941 1.00 53.55 O ATOM 164 CB LYS A 16 33.640 -20.887 6.920 1.00 55.71 C ATOM 165 CG LYS A 16 33.959 -19.722 7.798 1.00 61.59 C ATOM 166 CD LYS A 16 34.223 -20.184 9.219 1.00 73.70 C ATOM 167 CE LYS A 16 34.556 -18.981 10.093 1.00 74.91 C ATOM 168 NZ LYS A 16 34.781 -19.454 11.472 1.00 73.15 N ATOM 169 HZ1 LYS A 16 33.920 -19.921 11.822 1.00 0.00 H ATOM 170 HZ2 LYS A 16 35.571 -20.130 11.481 1.00 0.00 H ATOM 171 HZ3 LYS A 16 35.010 -18.644 12.082 1.00 0.00 H ATOM 172 H LYS A 16 31.704 -22.106 5.155 1.00 0.00 H ATOM 173 N LEU A 17 30.582 -20.023 8.131 1.00 54.01 N ATOM 174 CA LEU A 17 29.740 -18.824 8.168 1.00 49.06 C ATOM 175 C LEU A 17 30.555 -17.683 8.791 1.00 50.15 C ATOM 176 O LEU A 17 30.945 -17.764 9.948 1.00 51.36 O ATOM 177 CB LEU A 17 28.460 -19.089 8.951 1.00 53.85 C ATOM 178 CG LEU A 17 27.620 -17.893 9.431 1.00 63.91 C ATOM 179 CD1 LEU A 17 27.039 -17.076 8.294 1.00 66.24 C ATOM 180 CD2 LEU A 17 26.492 -18.386 10.302 1.00 70.71 C ATOM 181 H LEU A 17 30.693 -20.604 8.986 1.00 0.00 H ATOM 182 N ASN A 18 30.767 -16.621 8.014 1.00 48.22 N ATOM 183 CA ASN A 18 31.691 -15.537 8.328 1.00 48.58 C ATOM 184 C ASN A 18 31.071 -14.388 9.117 1.00 52.15 C ATOM 185 O ASN A 18 31.636 -13.949 10.100 1.00 58.25 O ATOM 186 CB ASN A 18 32.212 -14.950 7.034 1.00 52.47 C ATOM 187 CG ASN A 18 33.055 -15.932 6.218 1.00 48.19 C ATOM 188 OD1 ASN A 18 32.949 -15.987 4.992 1.00 48.81 O ATOM 189 ND2 ASN A 18 33.910 -16.668 6.881 1.00 54.38 N ATOM 190 HD22 ASN A 18 33.968 -16.592 7.917 1.00 0.00 H ATOM 191 HD21 ASN A 18 34.531 -17.329 6.372 1.00 0.00 H ATOM 192 H ASN A 18 30.237 -16.561 7.121 1.00 0.00 H ATOM 193 N TRP A 19 29.923 -13.900 8.669 1.00 48.65 N ATOM 194 CA TRP A 19 29.170 -12.923 9.428 1.00 50.41 C ATOM 195 C TRP A 19 27.686 -12.950 9.063 1.00 52.81 C ATOM 196 O TRP A 19 27.288 -13.522 8.030 1.00 50.38 O ATOM 197 CB TRP A 19 29.745 -11.499 9.291 1.00 58.46 C ATOM 198 CG TRP A 19 29.875 -10.979 7.896 1.00 53.70 C ATOM 199 CD1 TRP A 19 31.010 -10.973 7.136 1.00 51.79 C ATOM 200 CD2 TRP A 19 28.851 -10.382 7.092 1.00 54.07 C ATOM 201 NE1 TRP A 19 30.751 -10.415 5.892 1.00 47.68 N ATOM 202 CE2 TRP A 19 29.437 -10.049 5.835 1.00 53.47 C ATOM 203 CE3 TRP A 19 27.504 -10.084 7.302 1.00 53.68 C ATOM 204 CZ2 TRP A 19 28.704 -9.455 4.786 1.00 55.05 C ATOM 205 CZ3 TRP A 19 26.763 -9.512 6.236 1.00 57.49 C ATOM 206 CH2 TRP A 19 27.369 -9.189 5.017 1.00 51.30 C ATOM 207 HE1 TRP A 19 31.445 -10.295 5.127 1.00 0.00 H ATOM 208 H TRP A 19 29.555 -14.226 7.752 1.00 0.00 H ATOM 209 N MET A 20 26.863 -12.380 9.950 1.00 50.12 N ATOM 210 CA MET A 20 25.411 -12.276 9.701 1.00 54.15 C ATOM 211 C MET A 20 24.862 -11.040 10.364 1.00 52.75 C ATOM 212 O MET A 20 25.403 -10.595 11.367 1.00 56.57 O ATOM 213 CB MET A 20 24.714 -13.514 10.271 1.00 59.26 C ATOM 214 CG MET A 20 23.215 -13.627 10.008 1.00 65.54 C ATOM 215 SD MET A 20 22.504 -15.265 10.384 1.00 66.55 S ATOM 216 CE MET A 20 23.300 -15.764 11.901 1.00 61.16 C ATOM 217 H MET A 20 27.255 -12.001 10.836 1.00 0.00 H ATOM 218 N ASN A 21 23.805 -10.475 9.800 1.00 55.50 N ATOM 219 CA ASN A 21 22.949 -9.578 10.555 1.00 60.61 C ATOM 220 C ASN A 21 21.474 -9.681 10.200 1.00 63.77 C ATOM 221 O ASN A 21 21.092 -10.316 9.217 1.00 59.19 O ATOM 222 CB ASN A 21 23.442 -8.143 10.471 1.00 71.81 C ATOM 223 CG ASN A 21 23.693 -7.706 9.070 1.00 76.80 C ATOM 224 OD1 ASN A 21 24.834 -7.444 8.697 1.00 87.62 O ATOM 225 ND2 ASN A 21 22.651 -7.632 8.277 1.00 69.59 N ATOM 226 HD22 ASN A 21 21.704 -7.864 8.639 1.00 0.00 H ATOM 227 HD21 ASN A 21 22.772 -7.341 7.286 1.00 0.00 H ATOM 228 H ASN A 21 23.586 -10.677 8.804 1.00 0.00 H ATOM 229 N LEU A 22 20.644 -9.070 11.036 1.00 61.53 N ATOM 230 CA LEU A 22 19.198 -9.120 10.849 1.00 69.10 C ATOM 231 C LEU A 22 18.651 -7.719 10.906 1.00 65.21 C ATOM 232 O LEU A 22 19.175 -6.893 11.637 1.00 61.16 O ATOM 233 CB LEU A 22 18.558 -9.925 11.971 1.00 73.25 C ATOM 234 CG LEU A 22 18.898 -11.407 12.071 1.00 70.64 C ATOM 235 CD1 LEU A 22 18.278 -11.981 13.332 1.00 73.10 C ATOM 236 CD2 LEU A 22 18.392 -12.161 10.863 1.00 74.24 C ATOM 237 H LEU A 22 21.034 -8.543 11.844 1.00 0.00 H ATOM 238 N ARG A 23 17.605 -7.444 10.139 1.00 72.39 N ATOM 239 CA ARG A 23 17.007 -6.105 10.138 1.00 72.67 C ATOM 240 C ARG A 23 15.528 -6.129 10.087 1.00 70.23 C ATOM 241 O ARG A 23 14.956 -7.031 9.454 1.00 70.91 O ATOM 242 CB ARG A 23 17.479 -5.321 8.951 1.00 79.61 C ATOM 243 CG ARG A 23 18.932 -4.901 9.073 1.00 92.09 C ATOM 244 CD ARG A 23 19.381 -4.299 7.763 1.00 94.47 C ATOM 245 NE ARG A 23 20.825 -4.330 7.684 1.00 90.82 N ATOM 246 CZ ARG A 23 21.520 -4.665 6.595 1.00108.23 C ATOM 247 NH1 ARG A 23 20.901 -5.015 5.455 1.00109.54 N ATOM 248 NH2 ARG A 23 22.859 -4.665 6.647 1.00 92.04 N ATOM 249 HE ARG A 23 21.360 -4.073 8.538 1.00 0.00 H ATOM 250 HH12 ARG A 23 21.461 -5.273 4.617 1.00 0.00 H ATOM 251 HH11 ARG A 23 19.862 -5.028 5.410 1.00 0.00 H ATOM 252 HH22 ARG A 23 23.412 -4.924 5.805 1.00 0.00 H ATOM 253 HH21 ARG A 23 23.345 -4.406 7.529 1.00 0.00 H ATOM 254 H ARG A 23 17.204 -8.186 9.531 1.00 0.00 H ATOM 255 N ASP A 24 14.906 -5.123 10.727 1.00 79.01 N ATOM 256 CA ASP A 24 13.486 -4.856 10.506 1.00 76.71 C ATOM 257 C ASP A 24 13.429 -4.515 9.046 1.00 79.88 C ATOM 258 O ASP A 24 14.175 -3.667 8.559 1.00 81.74 O ATOM 259 CB ASP A 24 12.898 -3.698 11.337 1.00 82.45 C ATOM 260 CG ASP A 24 11.342 -3.556 11.179 1.00 79.14 C ATOM 261 OD1 ASP A 24 10.825 -3.563 10.051 1.00 79.81 O ATOM 262 OD2 ASP A 24 10.617 -3.422 12.177 1.00 86.83 O ATOM 263 H ASP A 24 15.443 -4.527 11.389 1.00 0.00 H ATOM 264 N ALA A 25 12.551 -5.228 8.366 1.00 70.94 N ATOM 265 CA ALA A 25 12.299 -5.035 6.981 1.00 79.11 C ATOM 266 C ALA A 25 11.486 -3.743 6.684 1.00 91.49 C ATOM 267 O ALA A 25 11.173 -3.493 5.528 1.00107.16 O ATOM 268 CB ALA A 25 11.579 -6.275 6.444 1.00 74.07 C ATOM 269 H ALA A 25 12.018 -5.967 8.868 1.00 0.00 H ATOM 270 N GLU A 26 11.132 -2.935 7.689 1.00 87.42 N ATOM 271 CA GLU A 26 10.528 -1.597 7.458 1.00 98.22 C ATOM 272 C GLU A 26 11.532 -0.469 7.653 1.00 94.12 C ATOM 273 O GLU A 26 11.726 0.352 6.768 1.00 82.50 O ATOM 274 CB GLU A 26 9.361 -1.358 8.414 1.00 99.01 C ATOM 275 CG GLU A 26 8.220 -2.333 8.257 1.00 96.86 C ATOM 276 CD GLU A 26 7.546 -2.156 6.928 1.00109.59 C ATOM 277 OE1 GLU A 26 6.610 -1.333 6.842 1.00117.38 O ATOM 278 OE2 GLU A 26 7.997 -2.801 5.963 1.00124.66 O ATOM 279 H GLU A 26 11.285 -3.254 8.667 1.00 0.00 H ATOM 280 N THR A 27 12.156 -0.457 8.828 1.00 94.26 N ATOM 281 CA THR A 27 13.176 0.518 9.192 1.00 96.93 C ATOM 282 C THR A 27 14.431 0.320 8.356 1.00106.06 C ATOM 283 O THR A 27 15.175 1.280 8.082 1.00100.62 O ATOM 284 CB THR A 27 13.633 0.331 10.650 1.00 99.80 C ATOM 285 OG1 THR A 27 14.385 -0.883 10.761 1.00 93.10 O ATOM 286 CG2 THR A 27 12.452 0.315 11.623 1.00100.77 C ATOM 287 HG1 THR A 27 14.679 -1.003 11.699 1.00 0.00 H ATOM 288 H THR A 27 11.901 -1.185 9.526 1.00 0.00 H ATOM 289 N GLY A 28 14.664 -0.948 7.995 1.00103.86 N ATOM 290 CA GLY A 28 15.911 -1.398 7.414 1.00 98.86 C ATOM 291 C GLY A 28 17.031 -1.349 8.428 1.00 97.03 C ATOM 292 O GLY A 28 18.200 -1.257 8.038 1.00103.31 O ATOM 293 H GLY A 28 13.908 -1.647 8.140 1.00 0.00 H ATOM 294 N LYS A 29 16.693 -1.401 9.721 1.00 88.83 N ATOM 295 CA LYS A 29 17.672 -1.133 10.764 1.00 92.87 C ATOM 296 C LYS A 29 18.116 -2.394 11.457 1.00 89.16 C ATOM 297 O LYS A 29 17.374 -3.367 11.535 1.00 78.53 O ATOM 298 CB LYS A 29 17.150 -0.122 11.775 1.00101.92 C ATOM 299 CG LYS A 29 17.028 1.277 11.174 1.00120.47 C ATOM 300 CD LYS A 29 16.643 2.299 12.235 1.00122.22 C ATOM 301 CE LYS A 29 15.789 3.440 11.691 1.00127.05 C ATOM 302 NZ LYS A 29 14.823 3.906 12.730 1.00116.20 N ATOM 303 HZ1 LYS A 29 14.202 3.117 13.003 1.00 0.00 H ATOM 304 HZ2 LYS A 29 15.347 4.241 13.563 1.00 0.00 H ATOM 305 HZ3 LYS A 29 14.249 4.683 12.344 1.00 0.00 H ATOM 306 H LYS A 29 15.715 -1.637 9.985 1.00 0.00 H ATOM 307 N ILE A 30 19.343 -2.343 11.961 1.00 82.80 N ATOM 308 CA ILE A 30 20.024 -3.495 12.535 1.00 89.76 C ATOM 309 C ILE A 30 19.341 -3.850 13.864 1.00 86.16 C ATOM 310 O ILE A 30 19.178 -3.010 14.735 1.00 87.81 O ATOM 311 CB ILE A 30 21.550 -3.228 12.775 1.00 85.55 C ATOM 312 CG1 ILE A 30 22.260 -2.810 11.478 1.00 85.07 C ATOM 313 CG2 ILE A 30 22.254 -4.453 13.352 1.00 87.93 C ATOM 314 CD1 ILE A 30 23.530 -2.010 11.723 1.00 96.52 C ATOM 315 H ILE A 30 19.844 -1.432 11.945 1.00 0.00 H ATOM 316 N LEU A 31 18.922 -5.104 13.985 1.00 81.76 N ATOM 317 CA LEU A 31 18.509 -5.686 15.252 1.00 67.32 C ATOM 318 C LEU A 31 19.677 -6.467 15.859 1.00 72.15 C ATOM 319 O LEU A 31 19.888 -6.437 17.075 1.00 90.60 O ATOM 320 CB LEU A 31 17.268 -6.581 15.042 1.00 80.92 C ATOM 321 CG LEU A 31 16.071 -5.941 14.274 1.00 90.02 C ATOM 322 CD1 LEU A 31 14.979 -6.941 13.909 1.00 95.13 C ATOM 323 CD2 LEU A 31 15.441 -4.773 15.027 1.00 89.04 C ATOM 324 H LEU A 31 18.887 -5.699 13.133 1.00 0.00 H ATOM 325 N TRP A 32 20.457 -7.144 15.024 1.00 60.19 N ATOM 326 CA TRP A 32 21.464 -8.061 15.512 1.00 55.64 C ATOM 327 C TRP A 32 22.599 -8.161 14.518 1.00 48.84 C ATOM 328 O TRP A 32 22.365 -8.151 13.336 1.00 49.06 O ATOM 329 CB TRP A 32 20.841 -9.466 15.645 1.00 53.51 C ATOM 330 CG TRP A 32 21.753 -10.402 16.358 1.00 51.01 C ATOM 331 CD1 TRP A 32 21.874 -10.566 17.721 1.00 51.10 C ATOM 332 CD2 TRP A 32 22.702 -11.239 15.770 1.00 44.11 C ATOM 333 NE1 TRP A 32 22.856 -11.479 18.006 1.00 50.73 N ATOM 334 CE2 TRP A 32 23.375 -11.922 16.815 1.00 55.19 C ATOM 335 CE3 TRP A 32 23.036 -11.529 14.457 1.00 54.89 C ATOM 336 CZ2 TRP A 32 24.394 -12.876 16.566 1.00 55.43 C ATOM 337 CZ3 TRP A 32 24.074 -12.463 14.210 1.00 57.05 C ATOM 338 CH2 TRP A 32 24.733 -13.115 15.261 1.00 51.17 C ATOM 339 HE1 TRP A 32 23.154 -11.782 18.955 1.00 0.00 H ATOM 340 H TRP A 32 20.342 -7.012 13.999 1.00 0.00 H ATOM 341 N GLN A 33 23.811 -8.362 14.984 1.00 49.09 N ATOM 342 CA GLN A 33 24.849 -8.715 14.063 1.00 59.22 C ATOM 343 C GLN A 33 25.936 -9.465 14.798 1.00 61.77 C ATOM 344 O GLN A 33 26.113 -9.280 15.985 1.00 69.95 O ATOM 345 CB GLN A 33 25.399 -7.461 13.379 1.00 68.20 C ATOM 346 CG GLN A 33 26.072 -6.502 14.330 1.00 84.87 C ATOM 347 CD GLN A 33 26.804 -5.419 13.582 1.00100.56 C ATOM 348 OE1 GLN A 33 26.186 -4.619 12.871 1.00 90.72 O ATOM 349 NE2 GLN A 33 28.133 -5.393 13.720 1.00110.12 N ATOM 350 HE22 GLN A 33 28.606 -6.089 14.331 1.00 0.00 H ATOM 351 HE21 GLN A 33 28.694 -4.677 13.216 1.00 0.00 H ATOM 352 H GLN A 33 24.012 -8.267 16.000 1.00 0.00 H ATOM 353 N GLY A 34 26.672 -10.319 14.100 1.00 59.08 N ATOM 354 CA GLY A 34 27.703 -11.091 14.784 1.00 63.45 C ATOM 355 C GLY A 34 28.649 -11.692 13.792 1.00 62.47 C ATOM 356 O GLY A 34 28.414 -11.646 12.596 1.00 65.99 O ATOM 357 H GLY A 34 26.516 -10.437 13.079 1.00 0.00 H ATOM 358 N THR A 35 29.719 -12.252 14.317 1.00 66.65 N ATOM 359 CA THR A 35 30.681 -13.035 13.542 1.00 72.69 C ATOM 360 C THR A 35 30.923 -14.409 14.159 1.00 67.85 C ATOM 361 O THR A 35 31.893 -15.074 13.806 1.00 68.98 O ATOM 362 CB THR A 35 32.020 -12.269 13.446 1.00 72.36 C ATOM 363 OG1 THR A 35 32.561 -12.076 14.759 1.00 63.35 O ATOM 364 CG2 THR A 35 31.797 -10.908 12.782 1.00 67.11 C ATOM 365 HG1 THR A 35 33.418 -11.585 14.693 1.00 0.00 H ATOM 366 H THR A 35 29.889 -12.131 15.336 1.00 0.00 H ATOM 367 N GLU A 36 30.062 -14.816 15.098 1.00 70.53 N ATOM 368 CA GLU A 36 30.170 -16.121 15.710 1.00 74.66 C ATOM 369 C GLU A 36 29.575 -17.052 14.654 1.00 71.07 C ATOM 370 O GLU A 36 28.511 -16.786 14.115 1.00 72.93 O ATOM 371 CB GLU A 36 29.400 -16.185 17.050 1.00 85.31 C ATOM 372 CG GLU A 36 29.830 -17.316 18.002 1.00 99.11 C ATOM 373 CD GLU A 36 28.889 -17.547 19.209 1.00111.98 C ATOM 374 OE1 GLU A 36 28.578 -16.569 19.939 1.00113.94 O ATOM 375 OE2 GLU A 36 28.470 -18.722 19.452 1.00 95.83 O ATOM 376 H GLU A 36 29.296 -14.178 15.395 1.00 0.00 H ATOM 377 N ASP A 37 30.272 -18.126 14.329 1.00 65.00 N ATOM 378 CA ASP A 37 29.753 -19.086 13.379 1.00 63.48 C ATOM 379 C ASP A 37 28.624 -19.899 14.047 1.00 60.65 C ATOM 380 O ASP A 37 28.820 -20.991 14.547 1.00 60.59 O ATOM 381 CB ASP A 37 30.872 -19.950 12.804 1.00 58.95 C ATOM 382 CG ASP A 37 30.406 -20.805 11.647 1.00 75.40 C ATOM 383 OD1 ASP A 37 29.180 -21.000 11.558 1.00 75.76 O ATOM 384 OD2 ASP A 37 31.234 -21.299 10.836 1.00 69.29 O ATOM 385 H ASP A 37 31.205 -18.283 14.761 1.00 0.00 H ATOM 386 N LEU A 38 27.426 -19.341 14.015 1.00 58.02 N ATOM 387 CA LEU A 38 26.249 -19.979 14.604 1.00 58.74 C ATOM 388 C LEU A 38 25.835 -21.266 13.894 1.00 50.13 C ATOM 389 O LEU A 38 25.007 -22.001 14.378 1.00 52.48 O ATOM 390 CB LEU A 38 25.059 -19.000 14.614 1.00 54.33 C ATOM 391 CG LEU A 38 25.150 -17.732 15.439 1.00 58.09 C ATOM 392 CD1 LEU A 38 23.820 -16.956 15.370 1.00 66.50 C ATOM 393 CD2 LEU A 38 25.483 -18.071 16.874 1.00 60.00 C ATOM 394 H LEU A 38 27.316 -18.415 13.554 1.00 0.00 H ATOM 395 N SER A 39 26.415 -21.532 12.748 1.00 55.07 N ATOM 396 CA SER A 39 26.182 -22.778 12.033 1.00 54.75 C ATOM 397 C SER A 39 26.857 -24.004 12.643 1.00 56.03 C ATOM 398 O SER A 39 26.594 -25.126 12.202 1.00 62.02 O ATOM 399 CB SER A 39 26.591 -22.603 10.550 1.00 54.45 C ATOM 400 OG SER A 39 28.009 -22.474 10.348 1.00 58.15 O ATOM 401 HG SER A 39 28.340 -21.681 10.840 1.00 0.00 H ATOM 402 H SER A 39 27.062 -20.830 12.337 1.00 0.00 H ATOM 403 N VAL A 40 27.702 -23.830 13.658 1.00 55.67 N ATOM 404 CA VAL A 40 28.567 -24.920 14.078 1.00 51.34 C ATOM 405 C VAL A 40 27.740 -25.979 14.800 1.00 49.59 C ATOM 406 O VAL A 40 27.161 -25.699 15.837 1.00 54.10 O ATOM 407 CB VAL A 40 29.727 -24.383 14.958 1.00 59.73 C ATOM 408 CG1 VAL A 40 30.556 -25.494 15.607 1.00 49.95 C ATOM 409 CG2 VAL A 40 30.661 -23.518 14.105 1.00 60.67 C ATOM 410 H VAL A 40 27.743 -22.915 14.150 1.00 0.00 H ATOM 411 N PRO A 41 27.698 -27.202 14.275 1.00 49.67 N ATOM 412 CA PRO A 41 26.901 -28.230 14.954 1.00 53.19 C ATOM 413 C PRO A 41 27.490 -28.656 16.240 1.00 50.53 C ATOM 414 O PRO A 41 28.679 -28.447 16.442 1.00 53.66 O ATOM 415 CB PRO A 41 26.938 -29.420 13.995 1.00 52.35 C ATOM 416 CG PRO A 41 28.192 -29.228 13.260 1.00 53.84 C ATOM 417 CD PRO A 41 28.394 -27.753 13.103 1.00 52.09 C ATOM 418 N GLY A 42 26.653 -29.239 17.107 1.00 56.24 N ATOM 419 CA GLY A 42 27.108 -29.943 18.316 1.00 60.09 C ATOM 420 C GLY A 42 27.360 -29.117 19.570 1.00 68.11 C ATOM 421 O GLY A 42 27.795 -29.654 20.586 1.00 80.20 O ATOM 422 H GLY A 42 25.632 -29.192 16.917 1.00 0.00 H ATOM 423 N VAL A 43 27.105 -27.818 19.491 1.00 68.49 N ATOM 424 CA VAL A 43 27.019 -26.960 20.652 1.00 66.44 C ATOM 425 C VAL A 43 25.790 -26.075 20.580 1.00 55.03 C ATOM 426 O VAL A 43 25.351 -25.671 19.518 1.00 64.43 O ATOM 427 CB VAL A 43 28.257 -26.046 20.812 1.00 68.44 C ATOM 428 CG1 VAL A 43 29.464 -26.873 21.173 1.00 83.89 C ATOM 429 CG2 VAL A 43 28.545 -25.249 19.564 1.00 67.24 C ATOM 430 H VAL A 43 26.960 -27.397 18.551 1.00 0.00 H ATOM 431 N GLU A 44 25.271 -25.749 21.741 1.00 51.71 N ATOM 432 CA GLU A 44 24.241 -24.762 21.866 1.00 53.48 C ATOM 433 C GLU A 44 24.839 -23.351 21.907 1.00 49.46 C ATOM 434 O GLU A 44 25.359 -22.886 22.903 1.00 62.77 O ATOM 435 CB GLU A 44 23.415 -25.034 23.119 1.00 54.46 C ATOM 436 CG GLU A 44 22.058 -24.340 23.105 1.00 58.30 C ATOM 437 CD GLU A 44 21.312 -24.608 24.372 1.00 59.87 C ATOM 438 OE1 GLU A 44 20.684 -25.694 24.461 1.00 61.88 O ATOM 439 OE2 GLU A 44 21.408 -23.748 25.274 1.00 66.57 O ATOM 440 H GLU A 44 25.619 -26.223 22.598 1.00 0.00 H ATOM 441 N HIS A 45 24.715 -22.669 20.806 1.00 49.11 N ATOM 442 CA HIS A 45 24.975 -21.250 20.752 1.00 49.96 C ATOM 443 C HIS A 45 23.904 -20.506 21.473 1.00 50.66 C ATOM 444 O HIS A 45 22.755 -20.953 21.604 1.00 54.93 O ATOM 445 CB HIS A 45 24.965 -20.799 19.304 1.00 50.24 C ATOM 446 CG HIS A 45 25.944 -21.549 18.459 1.00 58.65 C ATOM 447 ND1 HIS A 45 25.565 -22.550 17.597 1.00 64.92 N ATOM 448 CD2 HIS A 45 27.292 -21.467 18.369 1.00 52.34 C ATOM 449 CE1 HIS A 45 26.629 -23.038 16.993 1.00 57.28 C ATOM 450 NE2 HIS A 45 27.687 -22.403 17.451 1.00 55.40 N ATOM 451 H HIS A 45 24.420 -23.161 19.939 1.00 0.00 H ATOM 452 N GLU A 46 24.298 -19.346 21.926 1.00 50.46 N ATOM 453 CA GLU A 46 23.419 -18.455 22.601 1.00 52.01 C ATOM 454 C GLU A 46 23.460 -17.188 21.832 1.00 50.98 C ATOM 455 O GLU A 46 24.470 -16.870 21.259 1.00 58.45 O ATOM 456 CB GLU A 46 23.907 -18.185 24.005 1.00 51.48 C ATOM 457 CG GLU A 46 24.039 -19.422 24.878 1.00 63.41 C ATOM 458 CD GLU A 46 24.443 -19.089 26.306 1.00 69.38 C ATOM 459 OE1 GLU A 46 25.178 -18.082 26.492 1.00 75.57 O ATOM 460 OE2 GLU A 46 24.026 -19.838 27.229 1.00 83.87 O ATOM 461 H GLU A 46 25.290 -19.064 21.788 1.00 0.00 H ATOM 462 N ALA A 47 22.341 -16.475 21.816 1.00 55.68 N ATOM 463 CA ALA A 47 22.259 -15.221 21.148 1.00 54.09 C ATOM 464 C ALA A 47 21.240 -14.292 21.799 1.00 60.33 C ATOM 465 O ALA A 47 20.119 -14.704 22.138 1.00 49.03 O ATOM 466 CB ALA A 47 21.898 -15.453 19.704 1.00 55.33 C ATOM 467 H ALA A 47 21.500 -16.843 22.305 1.00 0.00 H ATOM 468 N ARG A 48 21.667 -13.035 21.941 1.00 58.11 N ATOM 469 CA ARG A 48 20.904 -11.996 22.575 1.00 57.65 C ATOM 470 C ARG A 48 20.288 -11.198 21.454 1.00 55.33 C ATOM 471 O ARG A 48 21.000 -10.700 20.610 1.00 62.99 O ATOM 472 CB ARG A 48 21.834 -11.124 23.438 1.00 59.93 C ATOM 473 CG ARG A 48 22.294 -11.783 24.762 1.00 66.33 C ATOM 474 CD ARG A 48 23.720 -11.410 25.215 1.00 70.81 C ATOM 475 NE ARG A 48 24.302 -12.260 26.282 1.00 80.94 N ATOM 476 CZ ARG A 48 24.697 -13.555 26.170 1.00 99.78 C ATOM 477 NH1 ARG A 48 24.567 -14.263 25.039 1.00 93.24 N ATOM 478 NH2 ARG A 48 25.226 -14.178 27.228 1.00 96.28 N ATOM 479 HE ARG A 48 24.420 -11.817 27.216 1.00 0.00 H ATOM 480 HH12 ARG A 48 24.886 -15.252 25.005 1.00 0.00 H ATOM 481 HH11 ARG A 48 24.148 -13.823 24.195 1.00 0.00 H ATOM 482 HH22 ARG A 48 25.530 -15.169 27.149 1.00 0.00 H ATOM 483 HH21 ARG A 48 25.333 -13.671 28.130 1.00 0.00 H ATOM 484 H ARG A 48 22.608 -12.794 21.570 1.00 0.00 H ATOM 485 N VAL A 49 18.972 -11.096 21.423 1.00 51.86 N ATOM 486 CA VAL A 49 18.290 -10.281 20.416 1.00 57.63 C ATOM 487 C VAL A 49 17.311 -9.341 21.077 1.00 54.59 C ATOM 488 O VAL A 49 16.828 -9.660 22.140 1.00 58.63 O ATOM 489 CB VAL A 49 17.483 -11.137 19.414 1.00 65.17 C ATOM 490 CG1 VAL A 49 18.349 -12.245 18.850 1.00 74.30 C ATOM 491 CG2 VAL A 49 16.240 -11.729 20.062 1.00 70.54 C ATOM 492 H VAL A 49 18.406 -11.607 22.131 1.00 0.00 H ATOM 493 N PRO A 50 16.983 -8.199 20.447 1.00 59.13 N ATOM 494 CA PRO A 50 16.121 -7.233 21.123 1.00 58.64 C ATOM 495 C PRO A 50 14.682 -7.691 21.168 1.00 58.53 C ATOM 496 O PRO A 50 14.187 -8.164 20.168 1.00 63.33 O ATOM 497 CB PRO A 50 16.231 -5.962 20.244 1.00 60.70 C ATOM 498 CG PRO A 50 17.434 -6.179 19.404 1.00 63.78 C ATOM 499 CD PRO A 50 17.498 -7.654 19.182 1.00 65.57 C ATOM 500 N LYS A 51 14.017 -7.523 22.304 1.00 62.38 N ATOM 501 CA LYS A 51 12.568 -7.763 22.409 1.00 75.27 C ATOM 502 C LYS A 51 11.755 -7.187 21.276 1.00 70.99 C ATOM 503 O LYS A 51 10.749 -7.806 20.868 1.00 63.51 O ATOM 504 CB LYS A 51 11.987 -7.243 23.739 1.00 87.32 C ATOM 505 CG LYS A 51 12.152 -5.747 24.014 1.00104.87 C ATOM 506 CD LYS A 51 11.315 -5.240 25.194 1.00105.77 C ATOM 507 CE LYS A 51 11.305 -6.155 26.423 1.00105.90 C ATOM 508 NZ LYS A 51 12.628 -6.568 26.985 1.00100.48 N ATOM 509 HZ1 LYS A 51 13.165 -7.085 26.260 1.00 0.00 H ATOM 510 HZ2 LYS A 51 13.160 -5.722 27.275 1.00 0.00 H ATOM 511 HZ3 LYS A 51 12.476 -7.183 27.810 1.00 0.00 H ATOM 512 H LYS A 51 14.537 -7.211 23.149 1.00 0.00 H ATOM 513 N LYS A 52 12.182 -6.023 20.785 1.00 66.16 N ATOM 514 CA LYS A 52 11.505 -5.348 19.668 1.00 79.12 C ATOM 515 C LYS A 52 11.222 -6.290 18.458 1.00 74.73 C ATOM 516 O LYS A 52 10.125 -6.263 17.873 1.00 71.98 O ATOM 517 CB LYS A 52 12.322 -4.086 19.268 1.00 88.33 C ATOM 518 CG LYS A 52 11.948 -3.423 17.937 1.00101.22 C ATOM 519 CD LYS A 52 10.454 -3.129 17.753 1.00102.79 C ATOM 520 CE LYS A 52 10.190 -2.184 16.584 1.00104.59 C ATOM 521 NZ LYS A 52 10.399 -0.756 16.979 1.00 99.90 N ATOM 522 HZ1 LYS A 52 9.749 -0.513 17.754 1.00 0.00 H ATOM 523 HZ2 LYS A 52 11.381 -0.625 17.295 1.00 0.00 H ATOM 524 HZ3 LYS A 52 10.211 -0.141 16.162 1.00 0.00 H ATOM 525 H LYS A 52 13.022 -5.578 21.206 1.00 0.00 H ATOM 526 N ILE A 53 12.172 -7.159 18.108 1.00 67.77 N ATOM 527 CA ILE A 53 12.004 -8.051 16.945 1.00 68.67 C ATOM 528 C ILE A 53 10.702 -8.842 16.931 1.00 70.61 C ATOM 529 O ILE A 53 10.180 -9.183 15.878 1.00 67.47 O ATOM 530 CB ILE A 53 13.134 -9.110 16.815 1.00 80.77 C ATOM 531 CG1 ILE A 53 13.028 -9.849 15.478 1.00 75.14 C ATOM 532 CG2 ILE A 53 13.075 -10.162 17.935 1.00 80.50 C ATOM 533 CD1 ILE A 53 14.354 -10.385 15.026 1.00 80.81 C ATOM 534 H ILE A 53 13.048 -7.209 18.666 1.00 0.00 H ATOM 535 N LEU A 54 10.192 -9.172 18.101 1.00 72.50 N ATOM 536 CA LEU A 54 8.935 -9.911 18.181 1.00 77.44 C ATOM 537 C LEU A 54 7.777 -9.115 17.571 1.00 74.82 C ATOM 538 O LEU A 54 6.803 -9.723 17.099 1.00 68.62 O ATOM 539 CB LEU A 54 8.642 -10.327 19.635 1.00 79.57 C ATOM 540 CG LEU A 54 9.772 -11.146 20.290 1.00 78.50 C ATOM 541 CD1 LEU A 54 9.485 -11.360 21.764 1.00 80.48 C ATOM 542 CD2 LEU A 54 9.998 -12.482 19.572 1.00 74.94 C ATOM 543 H LEU A 54 10.689 -8.904 18.974 1.00 0.00 H ATOM 544 N LYS A 55 7.933 -7.780 17.520 1.00 70.47 N ATOM 545 CA LYS A 55 6.905 -6.883 16.972 1.00 81.27 C ATOM 546 C LYS A 55 7.009 -6.709 15.449 1.00 78.54 C ATOM 547 O LYS A 55 6.213 -5.981 14.874 1.00 71.18 O ATOM 548 CB LYS A 55 6.979 -5.474 17.594 1.00 86.64 C ATOM 549 CG LYS A 55 7.328 -5.348 19.076 1.00 95.62 C ATOM 550 CD LYS A 55 6.140 -5.515 20.006 1.00102.04 C ATOM 551 CE LYS A 55 6.562 -5.084 21.410 1.00105.61 C ATOM 552 NZ LYS A 55 5.557 -5.411 22.456 1.00 99.78 N ATOM 553 HZ1 LYS A 55 4.661 -4.930 22.237 1.00 0.00 H ATOM 554 HZ2 LYS A 55 5.403 -6.439 22.478 1.00 0.00 H ATOM 555 HZ3 LYS A 55 5.906 -5.092 23.382 1.00 0.00 H ATOM 556 H LYS A 55 8.816 -7.366 17.882 1.00 0.00 H ATOM 557 N CYS A 56 7.991 -7.334 14.793 1.00 81.33 N ATOM 558 CA CYS A 56 8.234 -7.073 13.375 1.00 73.40 C ATOM 559 C CYS A 56 7.333 -7.924 12.553 1.00 80.86 C ATOM 560 O CYS A 56 7.214 -9.121 12.818 1.00 98.40 O ATOM 561 CB CYS A 56 9.677 -7.370 12.998 1.00 73.47 C ATOM 562 SG CYS A 56 10.837 -6.166 13.675 1.00 71.04 S ATOM 563 H CYS A 56 8.591 -8.016 15.299 1.00 0.00 H ATOM 564 N LYS A 57 6.698 -7.321 11.549 1.00 86.85 N ATOM 565 CA LYS A 57 5.930 -8.099 10.565 1.00 88.28 C ATOM 566 C LYS A 57 6.904 -9.056 9.851 1.00 84.02 C ATOM 567 O LYS A 57 6.598 -10.244 9.614 1.00 71.36 O ATOM 568 CB LYS A 57 5.193 -7.165 9.584 1.00101.98 C ATOM 569 CG LYS A 57 3.843 -7.687 9.082 1.00113.07 C ATOM 570 CD LYS A 57 2.917 -6.571 8.581 1.00116.89 C ATOM 571 CE LYS A 57 3.309 -6.041 7.205 1.00117.75 C ATOM 572 NZ LYS A 57 2.795 -6.895 6.102 1.00118.13 N ATOM 573 HZ1 LYS A 57 3.182 -7.855 6.199 1.00 0.00 H ATOM 574 HZ2 LYS A 57 1.757 -6.932 6.149 1.00 0.00 H ATOM 575 HZ3 LYS A 57 3.088 -6.493 5.189 1.00 0.00 H ATOM 576 H LYS A 57 6.746 -6.286 11.460 1.00 0.00 H ATOM 577 N ALA A 58 8.114 -8.559 9.587 1.00 70.36 N ATOM 578 CA ALA A 58 9.115 -9.378 8.944 1.00 79.02 C ATOM 579 C ALA A 58 10.529 -8.858 9.112 1.00 78.41 C ATOM 580 O ALA A 58 10.776 -7.652 9.317 1.00 71.06 O ATOM 581 CB ALA A 58 8.801 -9.517 7.460 1.00 81.09 C ATOM 582 H ALA A 58 8.337 -7.577 9.846 1.00 0.00 H ATOM 583 N VAL A 59 11.458 -9.797 8.961 1.00 71.26 N ATOM 584 CA VAL A 59 12.858 -9.558 9.261 1.00 75.44 C ATOM 585 C VAL A 59 13.670 -9.841 8.010 1.00 74.39 C ATOM 586 O VAL A 59 13.505 -10.917 7.381 1.00 71.50 O ATOM 587 CB VAL A 59 13.345 -10.482 10.392 1.00 73.38 C ATOM 588 CG1 VAL A 59 14.836 -10.313 10.644 1.00 81.46 C ATOM 589 CG2 VAL A 59 12.576 -10.220 11.671 1.00 75.82 C ATOM 590 H VAL A 59 11.172 -10.735 8.616 1.00 0.00 H ATOM 591 N SER A 60 14.547 -8.897 7.666 1.00 59.98 N ATOM 592 CA SER A 60 15.499 -9.113 6.582 1.00 73.37 C ATOM 593 C SER A 60 16.858 -9.598 7.103 1.00 66.78 C ATOM 594 O SER A 60 17.441 -8.967 7.984 1.00 73.51 O ATOM 595 CB SER A 60 15.698 -7.833 5.786 1.00 77.36 C ATOM 596 OG SER A 60 16.274 -8.155 4.536 1.00 94.77 O ATOM 597 HG SER A 60 16.407 -7.326 4.012 1.00 0.00 H ATOM 598 H SER A 60 14.552 -7.992 8.179 1.00 0.00 H ATOM 599 N ARG A 61 17.358 -10.692 6.533 1.00 69.58 N ATOM 600 CA ARG A 61 18.651 -11.324 6.937 1.00 64.80 C ATOM 601 C ARG A 61 19.664 -11.245 5.820 1.00 65.37 C ATOM 602 O ARG A 61 19.398 -11.690 4.681 1.00 63.26 O ATOM 603 CB ARG A 61 18.455 -12.815 7.262 1.00 63.85 C ATOM 604 CG ARG A 61 19.719 -13.580 7.661 1.00 61.83 C ATOM 605 CD ARG A 61 19.391 -15.051 7.917 1.00 61.55 C ATOM 606 NE ARG A 61 18.922 -15.708 6.702 1.00 59.20 N ATOM 607 CZ ARG A 61 18.096 -16.752 6.639 1.00 63.62 C ATOM 608 NH1 ARG A 61 17.595 -17.326 7.732 1.00 67.68 N ATOM 609 NH2 ARG A 61 17.731 -17.216 5.451 1.00 63.85 N ATOM 610 HE ARG A 61 19.265 -15.325 5.798 1.00 0.00 H ATOM 611 HH12 ARG A 61 16.953 -18.139 7.644 1.00 0.00 H ATOM 612 HH11 ARG A 61 17.846 -16.961 8.673 1.00 0.00 H ATOM 613 HH22 ARG A 61 17.087 -18.030 5.386 1.00 0.00 H ATOM 614 HH21 ARG A 61 18.089 -16.766 4.585 1.00 0.00 H ATOM 615 H ARG A 61 16.818 -11.133 5.762 1.00 0.00 H ATOM 616 N GLU A 62 20.826 -10.707 6.157 1.00 60.37 N ATOM 617 CA GLU A 62 22.003 -10.821 5.331 1.00 68.52 C ATOM 618 C GLU A 62 22.935 -11.842 5.974 1.00 64.36 C ATOM 619 O GLU A 62 23.176 -11.792 7.155 1.00 65.42 O ATOM 620 CB GLU A 62 22.729 -9.489 5.256 1.00 76.10 C ATOM 621 CG GLU A 62 22.387 -8.656 4.044 1.00 91.33 C ATOM 622 CD GLU A 62 23.499 -7.690 3.695 1.00 93.91 C ATOM 623 OE1 GLU A 62 24.076 -7.084 4.645 1.00 86.99 O ATOM 624 OE2 GLU A 62 23.783 -7.555 2.473 1.00 90.26 O ATOM 625 H GLU A 62 20.893 -10.182 7.052 1.00 0.00 H ATOM 626 N LEU A 63 23.520 -12.712 5.177 1.00 65.28 N ATOM 627 CA LEU A 63 24.304 -13.833 5.697 1.00 58.21 C ATOM 628 C LEU A 63 25.457 -14.070 4.743 1.00 60.55 C ATOM 629 O LEU A 63 25.231 -14.301 3.549 1.00 60.73 O ATOM 630 CB LEU A 63 23.365 -14.999 5.727 1.00 64.12 C ATOM 631 CG LEU A 63 23.714 -16.327 6.318 1.00 68.17 C ATOM 632 CD1 LEU A 63 22.477 -17.215 6.230 1.00 63.21 C ATOM 633 CD2 LEU A 63 24.869 -16.942 5.551 1.00 77.92 C ATOM 634 H LEU A 63 23.422 -12.599 4.148 1.00 0.00 H ATOM 635 N ASN A 64 26.690 -13.974 5.235 1.00 58.24 N ATOM 636 CA ASN A 64 27.868 -14.153 4.370 1.00 55.12 C ATOM 637 C ASN A 64 28.539 -15.460 4.702 1.00 54.14 C ATOM 638 O ASN A 64 28.828 -15.690 5.863 1.00 56.45 O ATOM 639 CB ASN A 64 28.852 -13.024 4.637 1.00 57.13 C ATOM 640 CG ASN A 64 30.153 -13.177 3.864 1.00 56.53 C ATOM 641 OD1 ASN A 64 31.101 -13.835 4.294 1.00 61.38 O ATOM 642 ND2 ASN A 64 30.213 -12.537 2.741 1.00 56.20 N ATOM 643 HD22 ASN A 64 29.392 -11.991 2.409 1.00 0.00 H ATOM 644 HD21 ASN A 64 31.082 -12.568 2.170 1.00 0.00 H ATOM 645 H ASN A 64 26.823 -13.769 6.246 1.00 0.00 H ATOM 646 N PHE A 65 28.828 -16.297 3.710 1.00 48.81 N ATOM 647 CA PHE A 65 29.484 -17.584 3.966 1.00 51.24 C ATOM 648 C PHE A 65 30.422 -17.950 2.877 1.00 46.22 C ATOM 649 O PHE A 65 30.235 -17.508 1.775 1.00 48.67 O ATOM 650 CB PHE A 65 28.460 -18.716 4.032 1.00 51.70 C ATOM 651 CG PHE A 65 27.695 -18.896 2.756 1.00 53.68 C ATOM 652 CD1 PHE A 65 26.553 -18.144 2.509 1.00 50.98 C ATOM 653 CD2 PHE A 65 28.126 -19.798 1.786 1.00 58.30 C ATOM 654 CE1 PHE A 65 25.848 -18.296 1.330 1.00 52.87 C ATOM 655 CE2 PHE A 65 27.413 -19.974 0.595 1.00 56.43 C ATOM 656 CZ PHE A 65 26.273 -19.215 0.360 1.00 52.28 C ATOM 657 H PHE A 65 28.584 -16.034 2.734 1.00 0.00 H ATOM 658 N SER A 66 31.346 -18.853 3.201 1.00 47.96 N ATOM 659 CA SER A 66 32.292 -19.460 2.258 1.00 50.90 C ATOM 660 C SER A 66 32.107 -20.954 2.183 1.00 47.53 C ATOM 661 O SER A 66 31.614 -21.592 3.107 1.00 45.06 O ATOM 662 CB SER A 66 33.738 -19.263 2.713 1.00 51.01 C ATOM 663 OG SER A 66 33.981 -17.985 3.208 1.00 51.98 O ATOM 664 HG SER A 66 33.394 -17.817 3.987 1.00 0.00 H ATOM 665 H SER A 66 31.401 -19.150 4.196 1.00 0.00 H ATOM 666 N SER A 67 32.581 -21.522 1.094 1.00 53.10 N ATOM 667 CA SER A 67 32.481 -22.941 0.904 1.00 50.13 C ATOM 668 C SER A 67 33.565 -23.387 -0.025 1.00 46.31 C ATOM 669 O SER A 67 33.588 -22.930 -1.159 1.00 45.33 O ATOM 670 CB SER A 67 31.105 -23.269 0.304 1.00 55.00 C ATOM 671 OG SER A 67 31.007 -24.644 -0.037 1.00 49.41 O ATOM 672 HG SER A 67 31.704 -24.868 -0.703 1.00 0.00 H ATOM 673 H SER A 67 33.033 -20.936 0.363 1.00 0.00 H ATOM 674 N THR A 68 34.437 -24.302 0.398 1.00 42.44 N ATOM 675 CA THR A 68 35.423 -24.820 -0.567 1.00 46.93 C ATOM 676 C THR A 68 34.711 -25.719 -1.550 1.00 45.97 C ATOM 677 O THR A 68 35.062 -25.771 -2.703 1.00 50.92 O ATOM 678 CB THR A 68 36.537 -25.641 0.067 1.00 52.52 C ATOM 679 OG1 THR A 68 35.960 -26.868 0.536 1.00 52.29 O ATOM 680 CG2 THR A 68 37.223 -24.850 1.230 1.00 44.23 C ATOM 681 HG1 THR A 68 35.562 -27.357 -0.227 1.00 0.00 H ATOM 682 H THR A 68 34.422 -24.641 1.381 1.00 0.00 H ATOM 683 N GLU A 69 33.670 -26.399 -1.104 1.00 44.91 N ATOM 684 CA GLU A 69 32.951 -27.312 -1.995 1.00 42.60 C ATOM 685 C GLU A 69 31.870 -26.650 -2.801 1.00 44.64 C ATOM 686 O GLU A 69 31.204 -25.686 -2.373 1.00 49.73 O ATOM 687 CB GLU A 69 32.318 -28.474 -1.212 1.00 41.62 C ATOM 688 CG GLU A 69 33.317 -29.228 -0.341 1.00 41.01 C ATOM 689 CD GLU A 69 34.514 -29.654 -1.165 1.00 50.63 C ATOM 690 OE1 GLU A 69 34.331 -30.477 -2.064 1.00 60.56 O ATOM 691 OE2 GLU A 69 35.604 -29.132 -0.976 1.00 50.46 O ATOM 692 H GLU A 69 33.360 -26.286 -0.118 1.00 0.00 H ATOM 693 N GLN A 70 31.735 -27.188 -4.004 1.00 48.38 N ATOM 694 CA GLN A 70 30.698 -26.878 -4.900 1.00 49.95 C ATOM 695 C GLN A 70 29.383 -27.435 -4.342 1.00 52.22 C ATOM 696 O GLN A 70 29.387 -28.525 -3.806 1.00 41.47 O ATOM 697 CB GLN A 70 30.976 -27.531 -6.248 1.00 49.69 C ATOM 698 CG GLN A 70 29.901 -27.161 -7.279 1.00 55.11 C ATOM 699 CD GLN A 70 30.279 -27.422 -8.728 1.00 47.12 C ATOM 700 OE1 GLN A 70 31.151 -26.758 -9.296 1.00 52.30 O ATOM 701 NE2 GLN A 70 29.559 -28.336 -9.359 1.00 48.53 N ATOM 702 HE22 GLN A 70 28.834 -28.874 -8.843 1.00 0.00 H ATOM 703 HE21 GLN A 70 29.719 -28.516 -10.371 1.00 0.00 H ATOM 704 H GLN A 70 32.444 -27.887 -4.305 1.00 0.00 H ATOM 705 N MET A 71 28.291 -26.670 -4.433 1.00 52.07 N ATOM 706 CA MET A 71 26.950 -27.191 -4.075 1.00 53.23 C ATOM 707 C MET A 71 25.938 -26.908 -5.172 1.00 53.19 C ATOM 708 O MET A 71 25.839 -25.772 -5.699 1.00 44.68 O ATOM 709 CB MET A 71 26.426 -26.579 -2.774 1.00 58.08 C ATOM 710 CG MET A 71 27.067 -27.127 -1.510 1.00 60.72 C ATOM 711 SD MET A 71 26.415 -26.356 0.002 1.00 61.72 S ATOM 712 CE MET A 71 27.515 -24.960 0.173 1.00 63.33 C ATOM 713 H MET A 71 28.384 -25.688 -4.762 1.00 0.00 H ATOM 714 N GLU A 72 25.174 -27.950 -5.467 1.00 57.33 N ATOM 715 CA GLU A 72 24.122 -27.933 -6.481 1.00 64.84 C ATOM 716 C GLU A 72 23.009 -27.028 -5.982 1.00 61.35 C ATOM 717 O GLU A 72 22.696 -26.023 -6.594 1.00 76.06 O ATOM 718 CB GLU A 72 23.596 -29.367 -6.742 1.00 73.25 C ATOM 719 CG GLU A 72 24.679 -30.458 -6.910 1.00 84.85 C ATOM 720 CD GLU A 72 25.641 -30.203 -8.094 1.00 95.59 C ATOM 721 OE1 GLU A 72 25.126 -30.105 -9.244 1.00 78.42 O ATOM 722 OE2 GLU A 72 26.904 -30.116 -7.884 1.00 83.97 O ATOM 723 H GLU A 72 25.333 -28.835 -4.944 1.00 0.00 H ATOM 724 N LYS A 73 22.465 -27.357 -4.819 1.00 72.61 N ATOM 725 CA LYS A 73 21.262 -26.717 -4.312 1.00 72.86 C ATOM 726 C LYS A 73 21.332 -26.492 -2.802 1.00 62.92 C ATOM 727 O LYS A 73 20.909 -27.306 -1.975 1.00 66.59 O ATOM 728 CB LYS A 73 20.058 -27.554 -4.686 1.00 76.15 C ATOM 729 CG LYS A 73 18.779 -26.763 -4.595 1.00 85.58 C ATOM 730 CD LYS A 73 17.666 -27.473 -5.322 1.00 88.53 C ATOM 731 CE LYS A 73 16.470 -26.568 -5.316 1.00 96.45 C ATOM 732 NZ LYS A 73 15.213 -27.239 -5.712 1.00105.82 N ATOM 733 HZ1 LYS A 73 15.311 -27.616 -6.676 1.00 0.00 H ATOM 734 HZ2 LYS A 73 15.015 -28.018 -5.053 1.00 0.00 H ATOM 735 HZ3 LYS A 73 14.432 -26.553 -5.685 1.00 0.00 H ATOM 736 H LYS A 73 22.915 -28.100 -4.248 1.00 0.00 H ATOM 737 N PHE A 74 21.886 -25.359 -2.454 1.00 53.08 N ATOM 738 CA PHE A 74 22.170 -25.073 -1.088 1.00 54.38 C ATOM 739 C PHE A 74 20.960 -24.367 -0.523 1.00 57.49 C ATOM 740 O PHE A 74 20.474 -23.364 -1.080 1.00 60.80 O ATOM 741 CB PHE A 74 23.440 -24.241 -0.991 1.00 56.95 C ATOM 742 CG PHE A 74 23.673 -23.631 0.358 1.00 54.30 C ATOM 743 CD1 PHE A 74 23.688 -24.409 1.493 1.00 52.14 C ATOM 744 CD2 PHE A 74 23.878 -22.258 0.479 1.00 55.60 C ATOM 745 CE1 PHE A 74 23.907 -23.824 2.727 1.00 50.47 C ATOM 746 CE2 PHE A 74 24.086 -21.669 1.706 1.00 56.46 C ATOM 747 CZ PHE A 74 24.111 -22.457 2.839 1.00 57.04 C ATOM 748 H PHE A 74 22.122 -24.658 -3.185 1.00 0.00 H ATOM 749 N ARG A 75 20.462 -24.917 0.580 1.00 55.03 N ATOM 750 CA ARG A 75 19.195 -24.496 1.128 1.00 53.94 C ATOM 751 C ARG A 75 19.187 -24.788 2.620 1.00 56.72 C ATOM 752 O ARG A 75 19.962 -25.632 3.096 1.00 59.49 O ATOM 753 CB ARG A 75 18.054 -25.212 0.376 1.00 54.33 C ATOM 754 CG ARG A 75 17.907 -26.660 0.757 1.00 50.22 C ATOM 755 CD ARG A 75 16.835 -27.354 -0.053 1.00 52.16 C ATOM 756 NE ARG A 75 16.813 -28.754 0.367 1.00 48.03 N ATOM 757 CZ ARG A 75 16.126 -29.242 1.396 1.00 49.12 C ATOM 758 NH1 ARG A 75 15.308 -28.493 2.134 1.00 61.86 N ATOM 759 NH2 ARG A 75 16.236 -30.521 1.698 1.00 59.11 N ATOM 760 HE ARG A 75 17.383 -29.426 -0.186 1.00 0.00 H ATOM 761 HH12 ARG A 75 14.791 -28.918 2.930 1.00 0.00 H ATOM 762 HH11 ARG A 75 15.187 -27.484 1.914 1.00 0.00 H ATOM 763 HH22 ARG A 75 15.703 -30.913 2.500 1.00 0.00 H ATOM 764 HH21 ARG A 75 16.855 -31.137 1.134 1.00 0.00 H ATOM 765 H ARG A 75 20.998 -25.668 1.059 1.00 0.00 H ATOM 766 N LEU A 76 18.316 -24.079 3.341 1.00 60.57 N ATOM 767 CA LEU A 76 18.123 -24.247 4.796 1.00 62.73 C ATOM 768 C LEU A 76 16.677 -24.534 5.134 1.00 59.61 C ATOM 769 O LEU A 76 15.779 -23.990 4.514 1.00 64.45 O ATOM 770 CB LEU A 76 18.453 -22.956 5.557 1.00 60.34 C ATOM 771 CG LEU A 76 19.785 -22.313 5.273 1.00 67.32 C ATOM 772 CD1 LEU A 76 19.799 -20.879 5.774 1.00 68.36 C ATOM 773 CD2 LEU A 76 20.937 -23.129 5.849 1.00 70.89 C ATOM 774 H LEU A 76 17.739 -23.366 2.850 1.00 0.00 H ATOM 775 N GLU A 77 16.489 -25.324 6.179 1.00 62.18 N ATOM 776 CA GLU A 77 15.206 -25.544 6.815 1.00 63.17 C ATOM 777 C GLU A 77 15.365 -24.989 8.238 1.00 63.79 C ATOM 778 O GLU A 77 16.258 -25.421 8.970 1.00 59.11 O ATOM 779 CB GLU A 77 14.864 -27.043 6.840 1.00 63.94 C ATOM 780 CG GLU A 77 14.414 -27.615 5.501 1.00 60.19 C ATOM 781 CD GLU A 77 14.144 -29.127 5.504 1.00 60.91 C ATOM 782 OE1 GLU A 77 14.015 -29.769 6.589 1.00 59.71 O ATOM 783 OE2 GLU A 77 14.083 -29.685 4.387 1.00 59.86 O ATOM 784 H GLU A 77 17.316 -25.819 6.569 1.00 0.00 H ATOM 785 N GLN A 78 14.532 -24.010 8.614 1.00 57.80 N ATOM 786 CA GLN A 78 14.592 -23.477 9.945 1.00 55.53 C ATOM 787 C GLN A 78 13.287 -23.599 10.750 1.00 59.85 C ATOM 788 O GLN A 78 12.210 -23.574 10.195 1.00 69.38 O ATOM 789 CB GLN A 78 15.135 -22.071 9.878 1.00 54.35 C ATOM 790 CG GLN A 78 16.577 -22.110 9.461 1.00 52.85 C ATOM 791 CD GLN A 78 17.184 -20.751 9.314 1.00 57.09 C ATOM 792 OE1 GLN A 78 16.651 -19.887 8.632 1.00 56.59 O ATOM 793 NE2 GLN A 78 18.352 -20.566 9.914 1.00 65.96 N ATOM 794 HE22 GLN A 78 18.770 -21.328 10.485 1.00 0.00 H ATOM 795 HE21 GLN A 78 18.850 -19.659 9.813 1.00 0.00 H ATOM 796 H GLN A 78 13.838 -23.634 7.937 1.00 0.00 H ATOM 797 N LYS A 79 13.431 -23.809 12.057 1.00 57.22 N ATOM 798 CA LYS A 79 12.336 -24.078 12.959 1.00 58.64 C ATOM 799 C LYS A 79 12.548 -23.345 14.284 1.00 65.83 C ATOM 800 O LYS A 79 13.635 -23.417 14.857 1.00 63.68 O ATOM 801 CB LYS A 79 12.215 -25.555 13.265 1.00 56.31 C ATOM 802 CG LYS A 79 11.866 -26.427 12.093 1.00 61.42 C ATOM 803 CD LYS A 79 11.581 -27.864 12.542 1.00 58.11 C ATOM 804 CE LYS A 79 10.952 -28.627 11.384 1.00 65.11 C ATOM 805 NZ LYS A 79 11.006 -30.106 11.559 1.00 74.74 N ATOM 806 HZ1 LYS A 79 11.998 -30.409 11.634 1.00 0.00 H ATOM 807 HZ2 LYS A 79 10.495 -30.370 12.425 1.00 0.00 H ATOM 808 HZ3 LYS A 79 10.563 -30.567 10.739 1.00 0.00 H ATOM 809 H LYS A 79 14.392 -23.777 12.453 1.00 0.00 H ATOM 810 N VAL A 80 11.495 -22.648 14.742 1.00 64.04 N ATOM 811 CA VAL A 80 11.414 -22.110 16.083 1.00 59.38 C ATOM 812 C VAL A 80 10.869 -23.205 16.949 1.00 57.08 C ATOM 813 O VAL A 80 9.827 -23.770 16.638 1.00 60.24 O ATOM 814 CB VAL A 80 10.442 -20.913 16.170 1.00 63.20 C ATOM 815 CG1 VAL A 80 10.367 -20.365 17.581 1.00 65.39 C ATOM 816 CG2 VAL A 80 10.902 -19.795 15.277 1.00 57.21 C ATOM 817 H VAL A 80 10.695 -22.486 14.098 1.00 0.00 H ATOM 818 N TYR A 81 11.570 -23.485 18.042 1.00 53.97 N ATOM 819 CA TYR A 81 11.068 -24.368 19.073 1.00 53.75 C ATOM 820 C TYR A 81 10.975 -23.660 20.408 1.00 50.12 C ATOM 821 O TYR A 81 11.904 -22.994 20.857 1.00 61.38 O ATOM 822 CB TYR A 81 11.996 -25.562 19.277 1.00 64.83 C ATOM 823 CG TYR A 81 11.925 -26.665 18.278 1.00 61.99 C ATOM 824 CD1 TYR A 81 10.988 -27.693 18.406 1.00 72.54 C ATOM 825 CD2 TYR A 81 12.837 -26.733 17.241 1.00 64.71 C ATOM 826 CE1 TYR A 81 10.964 -28.747 17.503 1.00 71.43 C ATOM 827 CE2 TYR A 81 12.817 -27.773 16.325 1.00 70.00 C ATOM 828 CZ TYR A 81 11.879 -28.774 16.455 1.00 72.96 C ATOM 829 OH TYR A 81 11.881 -29.794 15.532 1.00 91.76 O ATOM 830 HH TYR A 81 11.159 -30.435 15.749 1.00 0.00 H ATOM 831 H TYR A 81 12.510 -23.056 18.161 1.00 0.00 H ATOM 832 N PHE A 82 9.860 -23.880 21.070 1.00 51.60 N ATOM 833 CA PHE A 82 9.568 -23.296 22.338 1.00 53.02 C ATOM 834 C PHE A 82 9.217 -24.424 23.270 1.00 52.17 C ATOM 835 O PHE A 82 8.306 -25.219 23.019 1.00 54.79 O ATOM 836 CB PHE A 82 8.396 -22.310 22.248 1.00 50.58 C ATOM 837 CG PHE A 82 7.831 -21.940 23.592 1.00 48.39 C ATOM 838 CD1 PHE A 82 8.390 -20.908 24.340 1.00 51.97 C ATOM 839 CD2 PHE A 82 6.732 -22.643 24.124 1.00 55.45 C ATOM 840 CE1 PHE A 82 7.872 -20.546 25.583 1.00 50.31 C ATOM 841 CE2 PHE A 82 6.212 -22.310 25.367 1.00 52.37 C ATOM 842 CZ PHE A 82 6.789 -21.252 26.099 1.00 55.99 C ATOM 843 H PHE A 82 9.153 -24.514 20.646 1.00 0.00 H ATOM 844 N LYS A 83 9.959 -24.479 24.352 1.00 55.09 N ATOM 845 CA LYS A 83 9.918 -25.599 25.246 1.00 59.54 C ATOM 846 C LYS A 83 9.755 -26.944 24.501 1.00 60.18 C ATOM 847 O LYS A 83 8.957 -27.774 24.901 1.00 57.55 O ATOM 848 CB LYS A 83 8.814 -25.384 26.300 1.00 55.28 C ATOM 849 CG LYS A 83 8.936 -24.109 27.132 1.00 56.00 C ATOM 850 CD LYS A 83 8.108 -24.246 28.406 1.00 56.22 C ATOM 851 CE LYS A 83 8.005 -22.979 29.212 1.00 51.08 C ATOM 852 NZ LYS A 83 7.501 -23.214 30.580 1.00 55.94 N ATOM 853 HZ1 LYS A 83 6.553 -23.639 30.531 1.00 0.00 H ATOM 854 HZ2 LYS A 83 8.146 -23.859 31.080 1.00 0.00 H ATOM 855 HZ3 LYS A 83 7.450 -22.309 31.090 1.00 0.00 H ATOM 856 H LYS A 83 10.596 -23.686 24.567 1.00 0.00 H ATOM 857 N GLY A 84 10.523 -27.169 23.436 1.00 62.12 N ATOM 858 CA GLY A 84 10.485 -28.475 22.771 1.00 60.17 C ATOM 859 C GLY A 84 9.381 -28.657 21.734 1.00 61.63 C ATOM 860 O GLY A 84 9.411 -29.622 21.011 1.00 66.83 O ATOM 861 H GLY A 84 11.148 -26.420 23.077 1.00 0.00 H ATOM 862 N GLN A 85 8.444 -27.725 21.605 1.00 54.44 N ATOM 863 CA GLN A 85 7.448 -27.807 20.535 1.00 62.33 C ATOM 864 C GLN A 85 7.665 -26.796 19.377 1.00 65.23 C ATOM 865 O GLN A 85 7.980 -25.641 19.609 1.00 60.26 O ATOM 866 CB GLN A 85 6.090 -27.541 21.147 1.00 60.74 C ATOM 867 CG GLN A 85 4.946 -27.977 20.282 1.00 74.01 C ATOM 868 CD GLN A 85 3.636 -27.495 20.854 1.00 74.34 C ATOM 869 OE1 GLN A 85 3.335 -27.736 22.016 1.00 71.98 O ATOM 870 NE2 GLN A 85 2.874 -26.778 20.059 1.00 72.19 N ATOM 871 HE22 GLN A 85 3.170 -26.598 19.078 1.00 0.00 H ATOM 872 HE21 GLN A 85 1.975 -26.390 20.411 1.00 0.00 H ATOM 873 H GLN A 85 8.417 -26.927 22.272 1.00 0.00 H ATOM 874 N CYS A 86 7.420 -27.217 18.136 1.00 65.00 N ATOM 875 CA CYS A 86 7.692 -26.376 16.975 1.00 60.50 C ATOM 876 C CYS A 86 6.550 -25.408 16.718 1.00 58.52 C ATOM 877 O CYS A 86 5.433 -25.815 16.554 1.00 65.96 O ATOM 878 CB CYS A 86 7.979 -27.225 15.722 1.00 63.90 C ATOM 879 SG CYS A 86 8.313 -26.210 14.249 1.00 71.29 S ATOM 880 H CYS A 86 7.025 -28.168 17.992 1.00 0.00 H ATOM 881 N LEU A 87 6.834 -24.122 16.702 1.00 65.28 N ATOM 882 CA LEU A 87 5.818 -23.100 16.461 1.00 64.41 C ATOM 883 C LEU A 87 5.806 -22.661 15.026 1.00 73.46 C ATOM 884 O LEU A 87 4.765 -22.294 14.517 1.00 81.75 O ATOM 885 CB LEU A 87 6.110 -21.845 17.280 1.00 64.47 C ATOM 886 CG LEU A 87 5.748 -21.846 18.767 1.00 66.74 C ATOM 887 CD1 LEU A 87 5.881 -23.221 19.391 1.00 70.49 C ATOM 888 CD2 LEU A 87 6.584 -20.807 19.496 1.00 72.40 C ATOM 889 H LEU A 87 7.816 -23.823 16.867 1.00 0.00 H ATOM 890 N GLU A 88 6.970 -22.633 14.382 1.00 82.07 N ATOM 891 CA GLU A 88 7.088 -22.005 13.064 1.00 73.00 C ATOM 892 C GLU A 88 8.171 -22.678 12.280 1.00 79.26 C ATOM 893 O GLU A 88 9.069 -23.294 12.879 1.00 71.62 O ATOM 894 CB GLU A 88 7.394 -20.522 13.191 1.00 68.75 C ATOM 895 CG GLU A 88 7.149 -19.801 11.891 1.00 79.34 C ATOM 896 CD GLU A 88 7.064 -18.309 12.023 1.00 89.66 C ATOM 897 OE1 GLU A 88 6.880 -17.670 10.959 1.00 96.93 O ATOM 898 OE2 GLU A 88 7.193 -17.784 13.151 1.00 87.43 O ATOM 899 H GLU A 88 7.809 -23.064 14.821 1.00 0.00 H ATOM 900 N GLU A 89 8.067 -22.557 10.950 1.00 78.31 N ATOM 901 CA GLU A 89 8.987 -23.168 10.012 1.00 71.41 C ATOM 902 C GLU A 89 9.199 -22.353 8.744 1.00 75.57 C ATOM 903 O GLU A 89 8.289 -21.685 8.250 1.00 62.36 O ATOM 904 CB GLU A 89 8.520 -24.563 9.644 1.00 79.68 C ATOM 905 CG GLU A 89 9.618 -25.430 9.047 1.00 90.95 C ATOM 906 CD GLU A 89 9.177 -26.861 8.848 1.00 94.89 C ATOM 907 OE1 GLU A 89 7.962 -27.117 9.014 1.00 93.96 O ATOM 908 OE2 GLU A 89 10.038 -27.716 8.515 1.00 84.53 O ATOM 909 H GLU A 89 7.281 -21.992 10.569 1.00 0.00 H ATOM 910 N TRP A 90 10.440 -22.407 8.248 1.00 75.72 N ATOM 911 CA TRP A 90 10.807 -21.808 6.983 1.00 68.71 C ATOM 912 C TRP A 90 11.746 -22.683 6.172 1.00 69.90 C ATOM 913 O TRP A 90 12.511 -23.502 6.715 1.00 64.11 O ATOM 914 CB TRP A 90 11.531 -20.502 7.170 1.00 66.83 C ATOM 915 CG TRP A 90 10.892 -19.522 8.021 1.00 74.32 C ATOM 916 CD1 TRP A 90 10.100 -18.499 7.635 1.00 78.86 C ATOM 917 CD2 TRP A 90 11.053 -19.405 9.420 1.00 74.07 C ATOM 918 NE1 TRP A 90 9.733 -17.747 8.718 1.00 81.44 N ATOM 919 CE2 TRP A 90 10.310 -18.286 9.832 1.00 79.18 C ATOM 920 CE3 TRP A 90 11.748 -20.144 10.371 1.00 77.74 C ATOM 921 CZ2 TRP A 90 10.235 -17.888 11.153 1.00 86.81 C ATOM 922 CZ3 TRP A 90 11.676 -19.755 11.679 1.00 86.91 C ATOM 923 CH2 TRP A 90 10.924 -18.630 12.065 1.00 85.26 C ATOM 924 HE1 TRP A 90 9.119 -16.908 8.696 1.00 0.00 H ATOM 925 H TRP A 90 11.173 -22.901 8.796 1.00 0.00 H ATOM 926 N PHE A 91 11.680 -22.445 4.862 1.00 68.15 N ATOM 927 CA PHE A 91 12.500 -23.090 3.859 1.00 62.59 C ATOM 928 C PHE A 91 13.068 -21.957 3.050 1.00 63.18 C ATOM 929 O PHE A 91 12.332 -21.067 2.666 1.00 59.65 O ATOM 930 CB PHE A 91 11.636 -24.007 3.030 1.00 59.08 C ATOM 931 CG PHE A 91 10.909 -25.020 3.859 1.00 65.66 C ATOM 932 CD1 PHE A 91 9.730 -24.684 4.529 1.00 65.11 C ATOM 933 CD2 PHE A 91 11.421 -26.296 4.016 1.00 63.20 C ATOM 934 CE1 PHE A 91 9.081 -25.621 5.312 1.00 70.31 C ATOM 935 CE2 PHE A 91 10.786 -27.233 4.808 1.00 62.96 C ATOM 936 CZ PHE A 91 9.610 -26.904 5.456 1.00 68.10 C ATOM 937 H PHE A 91 10.986 -21.742 4.536 1.00 0.00 H ATOM 938 N PHE A 92 14.388 -21.934 2.884 1.00 64.36 N ATOM 939 CA PHE A 92 15.051 -20.917 2.059 1.00 63.83 C ATOM 940 C PHE A 92 16.025 -21.625 1.123 1.00 63.27 C ATOM 941 O PHE A 92 16.647 -22.619 1.506 1.00 59.31 O ATOM 942 CB PHE A 92 15.821 -19.918 2.896 1.00 64.93 C ATOM 943 CG PHE A 92 14.981 -19.127 3.853 1.00 72.67 C ATOM 944 CD1 PHE A 92 14.317 -17.970 3.429 1.00 71.00 C ATOM 945 CD2 PHE A 92 14.902 -19.493 5.193 1.00 69.38 C ATOM 946 CE1 PHE A 92 13.564 -17.227 4.317 1.00 65.71 C ATOM 947 CE2 PHE A 92 14.140 -18.747 6.083 1.00 69.11 C ATOM 948 CZ PHE A 92 13.475 -17.616 5.639 1.00 67.55 C ATOM 949 H PHE A 92 14.968 -22.659 3.353 1.00 0.00 H ATOM 950 N GLU A 93 16.130 -21.120 -0.102 1.00 62.32 N ATOM 951 CA GLU A 93 16.965 -21.703 -1.113 1.00 57.77 C ATOM 952 C GLU A 93 17.934 -20.665 -1.567 1.00 61.31 C ATOM 953 O GLU A 93 17.522 -19.577 -1.924 1.00 58.09 O ATOM 954 CB GLU A 93 16.127 -22.141 -2.270 1.00 66.15 C ATOM 955 CG GLU A 93 16.933 -22.613 -3.479 1.00 79.24 C ATOM 956 CD GLU A 93 16.103 -23.453 -4.435 1.00 90.26 C ATOM 957 OE1 GLU A 93 16.223 -23.266 -5.675 1.00 94.87 O ATOM 958 OE2 GLU A 93 15.321 -24.295 -3.930 1.00 80.49 O ATOM 959 H GLU A 93 15.584 -20.267 -0.338 1.00 0.00 H ATOM 960 N PHE A 94 19.225 -20.980 -1.500 1.00 60.27 N ATOM 961 CA PHE A 94 20.237 -20.182 -2.173 1.00 59.36 C ATOM 962 C PHE A 94 20.511 -20.726 -3.573 1.00 60.48 C ATOM 963 O PHE A 94 20.762 -19.961 -4.491 1.00 61.56 O ATOM 964 CB PHE A 94 21.524 -20.189 -1.376 1.00 61.17 C ATOM 965 CG PHE A 94 22.654 -19.409 -2.017 1.00 64.18 C ATOM 966 CD1 PHE A 94 22.790 -18.039 -1.794 1.00 67.62 C ATOM 967 CD2 PHE A 94 23.606 -20.053 -2.806 1.00 60.18 C ATOM 968 CE1 PHE A 94 23.852 -17.317 -2.347 1.00 71.01 C ATOM 969 CE2 PHE A 94 24.666 -19.339 -3.365 1.00 68.51 C ATOM 970 CZ PHE A 94 24.797 -17.966 -3.132 1.00 67.37 C ATOM 971 H PHE A 94 19.517 -21.816 -0.954 1.00 0.00 H ATOM 972 N GLY A 95 20.531 -22.048 -3.711 1.00 59.99 N ATOM 973 CA GLY A 95 20.907 -22.695 -4.954 1.00 59.92 C ATOM 974 C GLY A 95 22.390 -23.057 -5.126 1.00 67.59 C ATOM 975 O GLY A 95 23.015 -23.679 -4.250 1.00 63.45 O ATOM 976 H GLY A 95 20.267 -22.640 -2.898 1.00 0.00 H ATOM 977 N PHE A 96 22.927 -22.695 -6.284 1.00 59.13 N ATOM 978 CA PHE A 96 24.194 -23.171 -6.752 1.00 56.45 C ATOM 979 C PHE A 96 25.306 -22.426 -6.036 1.00 56.36 C ATOM 980 O PHE A 96 25.257 -21.219 -5.889 1.00 51.28 O ATOM 981 CB PHE A 96 24.355 -22.970 -8.279 1.00 53.25 C ATOM 982 CG PHE A 96 25.656 -23.533 -8.812 1.00 61.96 C ATOM 983 CD1 PHE A 96 25.828 -24.928 -8.938 1.00 64.57 C ATOM 984 CD2 PHE A 96 26.750 -22.694 -9.099 1.00 55.63 C ATOM 985 CE1 PHE A 96 27.051 -25.470 -9.371 1.00 59.21 C ATOM 986 CE2 PHE A 96 27.954 -23.230 -9.551 1.00 57.46 C ATOM 987 CZ PHE A 96 28.114 -24.622 -9.665 1.00 54.69 C ATOM 988 H PHE A 96 22.399 -22.030 -6.884 1.00 0.00 H ATOM 989 N VAL A 97 26.328 -23.151 -5.609 1.00 53.57 N ATOM 990 CA VAL A 97 27.469 -22.506 -4.984 1.00 51.31 C ATOM 991 C VAL A 97 28.699 -22.951 -5.680 1.00 48.07 C ATOM 992 O VAL A 97 29.004 -24.177 -5.771 1.00 51.08 O ATOM 993 CB VAL A 97 27.661 -22.854 -3.485 1.00 54.66 C ATOM 994 CG1 VAL A 97 28.863 -22.074 -2.890 1.00 52.47 C ATOM 995 CG2 VAL A 97 26.386 -22.582 -2.687 1.00 57.92 C ATOM 996 H VAL A 97 26.314 -24.185 -5.721 1.00 0.00 H ATOM 997 N ILE A 98 29.424 -21.947 -6.115 1.00 50.58 N ATOM 998 CA ILE A 98 30.725 -22.115 -6.753 1.00 52.56 C ATOM 999 C ILE A 98 31.736 -22.504 -5.703 1.00 53.43 C ATOM 1000 O ILE A 98 31.778 -21.860 -4.647 1.00 56.44 O ATOM 1001 CB ILE A 98 31.153 -20.765 -7.368 1.00 53.14 C ATOM 1002 CG1 ILE A 98 30.326 -20.474 -8.629 1.00 63.97 C ATOM 1003 CG2 ILE A 98 32.646 -20.658 -7.619 1.00 47.07 C ATOM 1004 CD1 ILE A 98 30.189 -18.976 -8.938 1.00 71.91 C ATOM 1005 H ILE A 98 29.052 -20.983 -5.999 1.00 0.00 H ATOM 1006 N PRO A 99 32.561 -23.531 -5.986 1.00 51.14 N ATOM 1007 CA PRO A 99 33.655 -23.887 -5.070 1.00 56.37 C ATOM 1008 C PRO A 99 34.639 -22.733 -4.850 1.00 58.19 C ATOM 1009 O PRO A 99 34.937 -22.005 -5.797 1.00 51.66 O ATOM 1010 CB PRO A 99 34.347 -25.073 -5.781 1.00 53.79 C ATOM 1011 CG PRO A 99 33.992 -24.933 -7.242 1.00 47.92 C ATOM 1012 CD PRO A 99 32.579 -24.375 -7.201 1.00 52.73 C ATOM 1013 N ASN A 100 35.109 -22.598 -3.605 1.00 59.02 N ATOM 1014 CA ASN A 100 35.991 -21.518 -3.143 1.00 55.75 C ATOM 1015 C ASN A 100 35.433 -20.120 -3.310 1.00 58.16 C ATOM 1016 O ASN A 100 36.175 -19.178 -3.491 1.00 61.70 O ATOM 1017 CB ASN A 100 37.345 -21.615 -3.805 1.00 60.45 C ATOM 1018 CG ASN A 100 38.000 -22.957 -3.547 1.00 62.02 C ATOM 1019 OD1 ASN A 100 38.113 -23.776 -4.444 1.00 53.01 O ATOM 1020 ND2 ASN A 100 38.371 -23.206 -2.302 1.00 56.36 N ATOM 1021 HD22 ASN A 100 38.256 -22.477 -1.569 1.00 0.00 H ATOM 1022 HD21 ASN A 100 38.778 -24.131 -2.056 1.00 0.00 H ATOM 1023 H ASN A 100 34.827 -23.316 -2.907 1.00 0.00 H ATOM 1024 N SER A 101 34.126 -19.995 -3.188 1.00 55.71 N ATOM 1025 CA SER A 101 33.456 -18.719 -3.230 1.00 55.76 C ATOM 1026 C SER A 101 33.046 -18.237 -1.835 1.00 57.34 C ATOM 1027 O SER A 101 32.929 -19.001 -0.886 1.00 56.44 O ATOM 1028 CB SER A 101 32.205 -18.812 -4.099 1.00 52.81 C ATOM 1029 OG SER A 101 31.237 -19.606 -3.446 1.00 60.45 O ATOM 1030 HG SER A 101 31.603 -20.513 -3.295 1.00 0.00 H ATOM 1031 H SER A 101 33.554 -20.853 -3.056 1.00 0.00 H ATOM 1032 N THR A 102 32.871 -16.927 -1.759 1.00 57.07 N ATOM 1033 CA THR A 102 32.284 -16.237 -0.662 1.00 56.07 C ATOM 1034 C THR A 102 31.090 -15.503 -1.210 1.00 56.01 C ATOM 1035 O THR A 102 31.139 -14.925 -2.279 1.00 68.57 O ATOM 1036 CB THR A 102 33.265 -15.210 -0.071 1.00 58.15 C ATOM 1037 OG1 THR A 102 34.339 -15.906 0.530 1.00 55.98 O ATOM 1038 CG2 THR A 102 32.616 -14.384 1.057 1.00 58.44 C ATOM 1039 HG1 THR A 102 33.991 -16.492 1.248 1.00 0.00 H ATOM 1040 H THR A 102 33.189 -16.355 -2.568 1.00 0.00 H ATOM 1041 N ASN A 103 30.008 -15.521 -0.460 1.00 58.04 N ATOM 1042 CA ASN A 103 28.715 -15.147 -1.009 1.00 58.36 C ATOM 1043 C ASN A 103 27.877 -14.526 0.056 1.00 58.67 C ATOM 1044 O ASN A 103 27.925 -14.956 1.198 1.00 64.07 O ATOM 1045 CB ASN A 103 27.963 -16.378 -1.461 1.00 56.34 C ATOM 1046 CG ASN A 103 28.781 -17.268 -2.329 1.00 62.64 C ATOM 1047 OD1 ASN A 103 28.723 -17.136 -3.544 1.00 63.19 O ATOM 1048 ND2 ASN A 103 29.557 -18.205 -1.711 1.00 60.50 N ATOM 1049 HD22 ASN A 103 29.566 -18.270 -0.673 1.00 0.00 H ATOM 1050 HD21 ASN A 103 30.140 -18.854 -2.278 1.00 0.00 H ATOM 1051 H ASN A 103 30.079 -15.806 0.538 1.00 0.00 H ATOM 1052 N THR A 104 27.066 -13.556 -0.332 1.00 60.40 N ATOM 1053 CA THR A 104 26.247 -12.833 0.608 1.00 57.12 C ATOM 1054 C THR A 104 24.823 -13.111 0.256 1.00 56.03 C ATOM 1055 O THR A 104 24.432 -12.862 -0.856 1.00 62.08 O ATOM 1056 CB THR A 104 26.600 -11.353 0.548 1.00 57.80 C ATOM 1057 OG1 THR A 104 27.791 -11.161 1.329 1.00 61.68 O ATOM 1058 CG2 THR A 104 25.496 -10.517 1.123 1.00 55.87 C ATOM 1059 HG1 THR A 104 28.047 -10.205 1.309 1.00 0.00 H ATOM 1060 H THR A 104 27.018 -13.309 -1.341 1.00 0.00 H ATOM 1061 N TRP A 105 24.075 -13.686 1.189 1.00 56.02 N ATOM 1062 CA TRP A 105 22.723 -14.184 0.924 1.00 63.82 C ATOM 1063 C TRP A 105 21.663 -13.339 1.648 1.00 66.24 C ATOM 1064 O TRP A 105 21.617 -13.313 2.894 1.00 67.51 O ATOM 1065 CB TRP A 105 22.620 -15.640 1.404 1.00 56.15 C ATOM 1066 CG TRP A 105 21.312 -16.274 1.100 1.00 55.65 C ATOM 1067 CD1 TRP A 105 20.319 -15.768 0.340 1.00 56.18 C ATOM 1068 CD2 TRP A 105 20.883 -17.575 1.499 1.00 56.90 C ATOM 1069 NE1 TRP A 105 19.291 -16.650 0.259 1.00 60.90 N ATOM 1070 CE2 TRP A 105 19.612 -17.775 0.957 1.00 55.51 C ATOM 1071 CE3 TRP A 105 21.457 -18.589 2.252 1.00 55.58 C ATOM 1072 CZ2 TRP A 105 18.890 -18.932 1.158 1.00 63.58 C ATOM 1073 CZ3 TRP A 105 20.749 -19.740 2.453 1.00 59.60 C ATOM 1074 CH2 TRP A 105 19.470 -19.914 1.910 1.00 61.27 C ATOM 1075 HE1 TRP A 105 18.400 -16.492 -0.254 1.00 0.00 H ATOM 1076 H TRP A 105 24.465 -13.787 2.148 1.00 0.00 H ATOM 1077 N GLN A 106 20.821 -12.658 0.885 1.00 65.87 N ATOM 1078 CA GLN A 106 19.752 -11.852 1.461 1.00 66.53 C ATOM 1079 C GLN A 106 18.480 -12.678 1.468 1.00 72.60 C ATOM 1080 O GLN A 106 18.100 -13.290 0.447 1.00 65.18 O ATOM 1081 CB GLN A 106 19.560 -10.559 0.685 1.00 77.11 C ATOM 1082 CG GLN A 106 18.688 -9.519 1.399 1.00 97.14 C ATOM 1083 CD GLN A 106 19.300 -8.104 1.405 1.00105.37 C ATOM 1084 OE1 GLN A 106 20.522 -7.926 1.587 1.00 86.68 O ATOM 1085 NE2 GLN A 106 18.446 -7.087 1.218 1.00 99.75 N ATOM 1086 HE22 GLN A 106 17.434 -7.278 1.070 1.00 0.00 H ATOM 1087 HE21 GLN A 106 18.795 -6.107 1.221 1.00 0.00 H ATOM 1088 H GLN A 106 20.925 -12.699 -0.149 1.00 0.00 H ATOM 1089 N SER A 107 17.841 -12.718 2.635 1.00 72.35 N ATOM 1090 CA SER A 107 16.532 -13.317 2.785 1.00 66.92 C ATOM 1091 C SER A 107 15.594 -12.403 3.513 1.00 71.71 C ATOM 1092 O SER A 107 16.000 -11.428 4.165 1.00 75.94 O ATOM 1093 CB SER A 107 16.625 -14.646 3.523 1.00 67.11 C ATOM 1094 OG SER A 107 17.317 -15.590 2.724 1.00 71.92 O ATOM 1095 HG SER A 107 17.374 -16.452 3.208 1.00 0.00 H ATOM 1096 H SER A 107 18.300 -12.303 3.471 1.00 0.00 H ATOM 1097 N LEU A 108 14.320 -12.732 3.388 1.00 71.78 N ATOM 1098 CA LEU A 108 13.281 -12.019 4.062 1.00 71.83 C ATOM 1099 C LEU A 108 12.474 -13.050 4.821 1.00 77.60 C ATOM 1100 O LEU A 108 12.099 -14.071 4.251 1.00 68.56 O ATOM 1101 CB LEU A 108 12.391 -11.316 3.051 1.00 83.44 C ATOM 1102 CG LEU A 108 11.320 -10.408 3.689 1.00 87.37 C ATOM 1103 CD1 LEU A 108 11.886 -9.002 3.826 1.00 77.55 C ATOM 1104 CD2 LEU A 108 10.006 -10.433 2.900 1.00 85.97 C ATOM 1105 H LEU A 108 14.065 -13.536 2.779 1.00 0.00 H ATOM 1106 N ILE A 109 12.204 -12.758 6.102 1.00 80.64 N ATOM 1107 CA ILE A 109 11.560 -13.695 7.031 1.00 80.59 C ATOM 1108 C ILE A 109 10.278 -13.131 7.661 1.00 76.52 C ATOM 1109 O ILE A 109 10.312 -12.102 8.321 1.00 75.34 O ATOM 1110 CB ILE A 109 12.532 -14.088 8.165 1.00 79.22 C ATOM 1111 CG1 ILE A 109 13.853 -14.610 7.576 1.00 70.44 C ATOM 1112 CG2 ILE A 109 11.895 -15.168 9.058 1.00 76.14 C ATOM 1113 CD1 ILE A 109 15.067 -14.197 8.344 1.00 80.76 C ATOM 1114 H ILE A 109 12.465 -11.816 6.457 1.00 0.00 H ATOM 1115 N GLU A 110 9.172 -13.851 7.493 1.00 90.13 N ATOM 1116 CA GLU A 110 7.840 -13.387 7.898 1.00 99.73 C ATOM 1117 C GLU A 110 7.306 -14.267 9.048 1.00104.25 C ATOM 1118 O GLU A 110 7.512 -15.490 9.030 1.00 94.03 O ATOM 1119 CB GLU A 110 6.896 -13.412 6.676 1.00 96.67 C ATOM 1120 CG GLU A 110 7.459 -12.680 5.445 1.00104.43 C ATOM 1121 CD GLU A 110 6.444 -12.456 4.319 1.00109.91 C ATOM 1122 OE1 GLU A 110 5.857 -13.447 3.846 1.00111.66 O ATOM 1123 OE2 GLU A 110 6.241 -11.293 3.886 1.00107.87 O ATOM 1124 H GLU A 110 9.256 -14.789 7.053 1.00 0.00 H ATOM 1125 N ALA A 111 6.669 -13.644 10.055 1.00110.10 N ATOM 1126 CA ALA A 111 5.982 -14.379 11.143 1.00105.31 C ATOM 1127 C ALA A 111 4.558 -14.695 10.684 1.00108.80 C ATOM 1128 O ALA A 111 3.891 -13.816 10.150 1.00109.52 O ATOM 1129 CB ALA A 111 5.973 -13.576 12.440 1.00 95.89 C ATOM 1130 H ALA A 111 6.658 -12.604 10.071 1.00 0.00 H ATOM 1131 N ALA A 112 4.096 -15.934 10.888 1.00109.02 N ATOM 1132 CA ALA A 112 2.863 -16.446 10.240 1.00105.66 C ATOM 1133 C ALA A 112 1.565 -15.930 10.856 1.00102.43 C ATOM 1134 O ALA A 112 1.573 -15.064 11.737 1.00106.99 O ATOM 1135 CB ALA A 112 2.862 -17.971 10.238 1.00108.74 C ATOM 1136 H ALA A 112 4.622 -16.564 11.527 1.00 0.00 H TER 1137 ALA A 112 ATOM 1138 N SER A 115 -1.696 -16.024 13.639 1.00 90.09 N ATOM 1139 CA SER A 115 -0.872 -16.376 14.799 1.00 97.76 C ATOM 1140 C SER A 115 -0.368 -15.157 15.630 1.00 89.08 C ATOM 1141 O SER A 115 -0.190 -14.055 15.101 1.00 91.75 O ATOM 1142 CB SER A 115 0.289 -17.263 14.345 1.00 92.79 C ATOM 1143 OG SER A 115 1.275 -17.366 15.351 1.00 90.89 O ATOM 1144 HG SER A 115 2.012 -17.944 15.031 1.00 0.00 H ATOM 1145 HN3 SER A 115 -1.144 -15.425 12.993 1.00 0.00 H ATOM 1146 HN2 SER A 115 -2.539 -15.506 13.959 1.00 0.00 H ATOM 1147 HN1 SER A 115 -1.987 -16.892 13.146 1.00 0.00 H ATOM 1148 N GLN A 116 -0.153 -15.386 16.929 1.00 87.22 N ATOM 1149 CA GLN A 116 0.163 -14.327 17.912 1.00 92.41 C ATOM 1150 C GLN A 116 1.411 -14.659 18.745 1.00 91.40 C ATOM 1151 O GLN A 116 1.673 -15.818 19.070 1.00 95.06 O ATOM 1152 CB GLN A 116 -1.018 -14.104 18.854 1.00 94.82 C ATOM 1153 CG GLN A 116 -2.296 -13.680 18.148 1.00111.94 C ATOM 1154 CD GLN A 116 -3.215 -12.891 19.068 1.00129.38 C ATOM 1155 OE1 GLN A 116 -3.912 -13.476 19.894 1.00132.22 O ATOM 1156 NE2 GLN A 116 -3.212 -11.556 18.939 1.00128.24 N ATOM 1157 HE22 GLN A 116 -2.605 -11.104 18.225 1.00 0.00 H ATOM 1158 HE21 GLN A 116 -3.816 -10.973 19.553 1.00 0.00 H ATOM 1159 H GLN A 116 -0.211 -16.367 17.269 1.00 0.00 H ATOM 1160 N MET A 117 2.168 -13.634 19.101 1.00 78.68 N ATOM 1161 CA MET A 117 3.413 -13.826 19.820 1.00 81.75 C ATOM 1162 C MET A 117 3.150 -13.812 21.319 1.00 83.29 C ATOM 1163 O MET A 117 2.502 -12.887 21.827 1.00 80.09 O ATOM 1164 CB MET A 117 4.396 -12.720 19.451 1.00 85.09 C ATOM 1165 CG MET A 117 4.730 -12.678 17.963 1.00 93.58 C ATOM 1166 SD MET A 117 5.629 -14.156 17.434 1.00103.62 S ATOM 1167 CE MET A 117 7.190 -13.835 18.205 1.00 96.35 C ATOM 1168 H MET A 117 1.864 -12.669 18.860 1.00 0.00 H ATOM 1169 N MET A 118 3.655 -14.827 22.031 1.00 72.33 N ATOM 1170 CA MET A 118 3.772 -14.735 23.486 1.00 56.33 C ATOM 1171 C MET A 118 4.770 -13.624 23.769 1.00 57.56 C ATOM 1172 O MET A 118 5.559 -13.237 22.885 1.00 53.51 O ATOM 1173 CB MET A 118 4.294 -16.004 24.091 1.00 54.49 C ATOM 1174 CG MET A 118 3.326 -17.149 24.069 1.00 53.41 C ATOM 1175 SD MET A 118 4.122 -18.595 24.777 1.00 56.90 S ATOM 1176 CE MET A 118 4.706 -19.338 23.240 1.00 52.17 C ATOM 1177 H MET A 118 3.968 -15.691 21.544 1.00 0.00 H ATOM 1178 N PRO A 119 4.741 -13.094 24.991 1.00 47.82 N ATOM 1179 CA PRO A 119 5.697 -12.014 25.282 1.00 55.95 C ATOM 1180 C PRO A 119 7.104 -12.506 25.555 1.00 50.89 C ATOM 1181 O PRO A 119 7.326 -13.652 25.985 1.00 49.08 O ATOM 1182 CB PRO A 119 5.126 -11.329 26.521 1.00 54.14 C ATOM 1183 CG PRO A 119 4.294 -12.386 27.182 1.00 52.25 C ATOM 1184 CD PRO A 119 3.792 -13.314 26.083 1.00 46.92 C ATOM 1185 N ALA A 120 8.014 -11.586 25.306 1.00 49.64 N ATOM 1186 CA ALA A 120 9.443 -11.780 25.421 1.00 50.23 C ATOM 1187 C ALA A 120 9.833 -12.483 26.706 1.00 52.74 C ATOM 1188 O ALA A 120 10.605 -13.455 26.688 1.00 57.16 O ATOM 1189 CB ALA A 120 10.120 -10.422 25.353 1.00 50.60 C ATOM 1190 H ALA A 120 7.679 -10.649 25.004 1.00 0.00 H ATOM 1191 N SER A 121 9.264 -11.991 27.809 1.00 53.12 N ATOM 1192 CA SER A 121 9.616 -12.440 29.154 1.00 47.98 C ATOM 1193 C SER A 121 9.319 -13.929 29.317 1.00 46.18 C ATOM 1194 O SER A 121 9.925 -14.588 30.135 1.00 42.82 O ATOM 1195 CB SER A 121 8.835 -11.637 30.200 1.00 45.72 C ATOM 1196 OG SER A 121 7.449 -12.084 30.280 1.00 55.19 O ATOM 1197 HG SER A 121 6.970 -11.549 30.962 1.00 0.00 H ATOM 1198 H SER A 121 8.537 -11.254 27.706 1.00 0.00 H ATOM 1199 N VAL A 122 8.351 -14.431 28.554 1.00 46.82 N ATOM 1200 CA VAL A 122 7.967 -15.828 28.610 1.00 43.65 C ATOM 1201 C VAL A 122 8.868 -16.633 27.716 1.00 45.03 C ATOM 1202 O VAL A 122 9.290 -17.721 28.060 1.00 42.86 O ATOM 1203 CB VAL A 122 6.533 -16.016 28.143 1.00 43.39 C ATOM 1204 CG1 VAL A 122 6.185 -17.507 28.068 1.00 43.80 C ATOM 1205 CG2 VAL A 122 5.610 -15.313 29.105 1.00 47.15 C ATOM 1206 H VAL A 122 7.853 -13.799 27.895 1.00 0.00 H ATOM 1207 N LEU A 123 9.126 -16.070 26.542 1.00 46.51 N ATOM 1208 CA LEU A 123 9.940 -16.711 25.557 1.00 45.71 C ATOM 1209 C LEU A 123 11.433 -16.764 25.941 1.00 47.94 C ATOM 1210 O LEU A 123 12.163 -17.621 25.455 1.00 42.01 O ATOM 1211 CB LEU A 123 9.786 -15.969 24.220 1.00 47.27 C ATOM 1212 CG LEU A 123 8.446 -16.002 23.480 1.00 51.15 C ATOM 1213 CD1 LEU A 123 8.578 -15.200 22.191 1.00 54.73 C ATOM 1214 CD2 LEU A 123 8.015 -17.422 23.175 1.00 44.99 C ATOM 1215 H LEU A 123 8.724 -15.134 26.332 1.00 0.00 H ATOM 1216 N THR A 124 11.916 -15.819 26.740 1.00 46.15 N ATOM 1217 CA THR A 124 13.367 -15.634 26.761 1.00 46.81 C ATOM 1218 C THR A 124 14.045 -16.844 27.372 1.00 44.48 C ATOM 1219 O THR A 124 13.585 -17.369 28.390 1.00 50.27 O ATOM 1220 CB THR A 124 13.811 -14.319 27.423 1.00 41.63 C ATOM 1221 OG1 THR A 124 15.230 -14.179 27.230 1.00 42.89 O ATOM 1222 CG2 THR A 124 13.470 -14.294 28.915 1.00 39.31 C ATOM 1223 HG1 THR A 124 15.537 -13.337 27.650 1.00 0.00 H ATOM 1224 H THR A 124 11.288 -15.234 27.327 1.00 0.00 H ATOM 1225 N GLY A 125 15.107 -17.318 26.737 1.00 45.39 N ATOM 1226 CA GLY A 125 15.752 -18.580 27.150 1.00 43.76 C ATOM 1227 C GLY A 125 14.982 -19.882 26.956 1.00 48.61 C ATOM 1228 O GLY A 125 15.496 -20.958 27.289 1.00 52.37 O ATOM 1229 H GLY A 125 15.495 -16.789 25.930 1.00 0.00 H ATOM 1230 N ASN A 126 13.764 -19.810 26.414 1.00 46.04 N ATOM 1231 CA ASN A 126 12.951 -20.998 26.149 1.00 47.61 C ATOM 1232 C ASN A 126 12.801 -21.319 24.635 1.00 45.88 C ATOM 1233 O ASN A 126 12.165 -22.307 24.237 1.00 43.51 O ATOM 1234 CB ASN A 126 11.566 -20.791 26.794 1.00 53.60 C ATOM 1235 CG ASN A 126 11.600 -20.871 28.303 1.00 42.77 C ATOM 1236 OD1 ASN A 126 10.995 -20.048 29.011 1.00 46.97 O ATOM 1237 ND2 ASN A 126 12.285 -21.864 28.807 1.00 42.40 N ATOM 1238 HD22 ASN A 126 12.776 -22.530 28.177 1.00 0.00 H ATOM 1239 HD21 ASN A 126 12.339 -21.988 29.838 1.00 0.00 H ATOM 1240 H ASN A 126 13.379 -18.875 26.171 1.00 0.00 H ATOM 1241 N VAL A 127 13.373 -20.467 23.800 1.00 42.35 N ATOM 1242 CA VAL A 127 13.375 -20.641 22.347 1.00 46.55 C ATOM 1243 C VAL A 127 14.733 -21.117 21.832 1.00 47.89 C ATOM 1244 O VAL A 127 15.800 -20.594 22.171 1.00 51.10 O ATOM 1245 CB VAL A 127 13.018 -19.323 21.638 1.00 47.43 C ATOM 1246 CG1 VAL A 127 13.080 -19.473 20.139 1.00 49.53 C ATOM 1247 CG2 VAL A 127 11.606 -18.920 22.005 1.00 52.47 C ATOM 1248 H VAL A 127 13.846 -19.630 24.197 1.00 0.00 H ATOM 1249 N ILE A 128 14.644 -22.092 20.960 1.00 48.73 N ATOM 1250 CA ILE A 128 15.758 -22.641 20.257 1.00 49.18 C ATOM 1251 C ILE A 128 15.399 -22.436 18.807 1.00 47.31 C ATOM 1252 O ILE A 128 14.291 -22.790 18.409 1.00 50.42 O ATOM 1253 CB ILE A 128 15.815 -24.184 20.489 1.00 50.48 C ATOM 1254 CG1 ILE A 128 16.375 -24.511 21.841 1.00 50.90 C ATOM 1255 CG2 ILE A 128 16.649 -24.899 19.429 1.00 51.74 C ATOM 1256 CD1 ILE A 128 17.872 -24.348 21.941 1.00 62.78 C ATOM 1257 H ILE A 128 13.703 -22.490 20.769 1.00 0.00 H ATOM 1258 N ILE A 129 16.322 -21.909 18.013 1.00 48.51 N ATOM 1259 CA ILE A 129 16.214 -21.940 16.557 1.00 46.36 C ATOM 1260 C ILE A 129 17.077 -23.057 15.989 1.00 49.61 C ATOM 1261 O ILE A 129 18.317 -23.076 16.177 1.00 55.03 O ATOM 1262 CB ILE A 129 16.692 -20.634 15.942 1.00 48.57 C ATOM 1263 CG1 ILE A 129 15.932 -19.444 16.532 1.00 54.13 C ATOM 1264 CG2 ILE A 129 16.447 -20.687 14.439 1.00 51.95 C ATOM 1265 CD1 ILE A 129 14.421 -19.457 16.251 1.00 59.58 C ATOM 1266 H ILE A 129 17.154 -21.457 18.444 1.00 0.00 H ATOM 1267 N GLU A 130 16.441 -23.977 15.281 1.00 52.50 N ATOM 1268 CA GLU A 130 17.155 -25.105 14.659 1.00 55.30 C ATOM 1269 C GLU A 130 17.324 -24.809 13.176 1.00 57.62 C ATOM 1270 O GLU A 130 16.366 -24.402 12.491 1.00 57.54 O ATOM 1271 CB GLU A 130 16.410 -26.400 14.891 1.00 51.92 C ATOM 1272 CG GLU A 130 17.087 -27.671 14.378 1.00 58.95 C ATOM 1273 CD GLU A 130 16.095 -28.851 14.365 1.00 64.25 C ATOM 1274 OE1 GLU A 130 15.191 -28.930 13.476 1.00 62.67 O ATOM 1275 OE2 GLU A 130 16.183 -29.673 15.282 1.00 68.85 O ATOM 1276 H GLU A 130 15.411 -23.901 15.161 1.00 0.00 H ATOM 1277 N THR A 131 18.559 -24.956 12.693 1.00 53.06 N ATOM 1278 CA THR A 131 18.867 -24.689 11.303 1.00 50.16 C ATOM 1279 C THR A 131 19.470 -25.975 10.795 1.00 52.31 C ATOM 1280 O THR A 131 20.392 -26.508 11.393 1.00 51.66 O ATOM 1281 CB THR A 131 19.843 -23.506 11.165 1.00 53.09 C ATOM 1282 OG1 THR A 131 19.215 -22.304 11.625 1.00 46.10 O ATOM 1283 CG2 THR A 131 20.270 -23.274 9.725 1.00 50.87 C ATOM 1284 HG1 THR A 131 18.959 -22.410 12.576 1.00 0.00 H ATOM 1285 H THR A 131 19.319 -25.270 13.330 1.00 0.00 H ATOM 1286 N LYS A 132 18.871 -26.503 9.732 1.00 56.67 N ATOM 1287 CA LYS A 132 19.444 -27.573 8.962 1.00 51.93 C ATOM 1288 C LYS A 132 19.917 -27.065 7.608 1.00 53.66 C ATOM 1289 O LYS A 132 19.170 -26.406 6.872 1.00 48.09 O ATOM 1290 CB LYS A 132 18.447 -28.655 8.732 1.00 53.63 C ATOM 1291 CG LYS A 132 17.927 -29.346 9.976 1.00 60.18 C ATOM 1292 CD LYS A 132 16.953 -30.459 9.533 1.00 68.19 C ATOM 1293 CE LYS A 132 16.235 -31.181 10.660 1.00 69.59 C ATOM 1294 NZ LYS A 132 17.212 -31.764 11.615 1.00 75.05 N ATOM 1295 HZ1 LYS A 132 17.822 -32.442 11.115 1.00 0.00 H ATOM 1296 HZ2 LYS A 132 17.796 -31.004 12.019 1.00 0.00 H ATOM 1297 HZ3 LYS A 132 16.700 -32.253 12.377 1.00 0.00 H ATOM 1298 H LYS A 132 17.946 -26.125 9.445 1.00 0.00 H ATOM 1299 N PHE A 133 21.162 -27.450 7.313 1.00 50.37 N ATOM 1300 CA PHE A 133 21.960 -27.037 6.175 1.00 49.81 C ATOM 1301 C PHE A 133 21.913 -28.250 5.231 1.00 51.36 C ATOM 1302 O PHE A 133 22.335 -29.326 5.650 1.00 51.57 O ATOM 1303 CB PHE A 133 23.351 -26.779 6.801 1.00 50.54 C ATOM 1304 CG PHE A 133 24.495 -26.562 5.860 1.00 47.84 C ATOM 1305 CD1 PHE A 133 24.398 -26.663 4.498 1.00 46.42 C ATOM 1306 CD2 PHE A 133 25.734 -26.289 6.414 1.00 51.60 C ATOM 1307 CE1 PHE A 133 25.498 -26.454 3.703 1.00 48.45 C ATOM 1308 CE2 PHE A 133 26.838 -26.085 5.631 1.00 49.25 C ATOM 1309 CZ PHE A 133 26.722 -26.166 4.267 1.00 49.36 C ATOM 1310 H PHE A 133 21.608 -28.120 7.972 1.00 0.00 H ATOM 1311 N PHE A 134 21.443 -28.055 3.993 1.00 52.08 N ATOM 1312 CA PHE A 134 21.297 -29.079 2.990 1.00 57.85 C ATOM 1313 C PHE A 134 21.979 -28.633 1.684 1.00 59.43 C ATOM 1314 O PHE A 134 21.875 -27.447 1.285 1.00 48.24 O ATOM 1315 CB PHE A 134 19.779 -29.278 2.654 1.00 60.11 C ATOM 1316 CG PHE A 134 19.001 -30.095 3.660 1.00 53.26 C ATOM 1317 CD1 PHE A 134 18.986 -31.497 3.575 1.00 51.12 C ATOM 1318 CD2 PHE A 134 18.192 -29.470 4.626 1.00 51.67 C ATOM 1319 CE1 PHE A 134 18.256 -32.278 4.491 1.00 50.57 C ATOM 1320 CE2 PHE A 134 17.440 -30.245 5.536 1.00 58.06 C ATOM 1321 CZ PHE A 134 17.459 -31.645 5.466 1.00 52.81 C ATOM 1322 H PHE A 134 21.161 -27.088 3.735 1.00 0.00 H ATOM 1323 N ASP A 135 22.627 -29.588 1.003 1.00 57.07 N ATOM 1324 CA ASP A 135 22.786 -29.483 -0.458 1.00 67.25 C ATOM 1325 C ASP A 135 21.742 -30.423 -1.036 1.00 58.08 C ATOM 1326 O ASP A 135 21.874 -31.630 -0.939 1.00 59.16 O ATOM 1327 CB ASP A 135 24.182 -29.905 -0.944 1.00 68.56 C ATOM 1328 CG ASP A 135 24.350 -29.746 -2.451 1.00 68.11 C ATOM 1329 OD1 ASP A 135 23.428 -29.200 -3.095 1.00 58.04 O ATOM 1330 OD2 ASP A 135 25.403 -30.153 -3.000 1.00 68.68 O ATOM 1331 H ASP A 135 23.020 -30.408 1.508 1.00 0.00 H ATOM 1332 N ASP A 136 20.696 -29.852 -1.597 1.00 58.60 N ATOM 1333 CA ASP A 136 19.541 -30.606 -2.088 1.00 64.44 C ATOM 1334 C ASP A 136 18.946 -31.485 -1.019 1.00 53.58 C ATOM 1335 O ASP A 136 18.403 -30.985 -0.065 1.00 63.67 O ATOM 1336 CB ASP A 136 19.870 -31.360 -3.395 1.00 73.72 C ATOM 1337 CG ASP A 136 18.610 -31.794 -4.159 1.00 91.33 C ATOM 1338 OD1 ASP A 136 17.829 -32.614 -3.618 1.00 99.22 O ATOM 1339 OD2 ASP A 136 18.405 -31.315 -5.303 1.00103.49 O ATOM 1340 H ASP A 136 20.690 -28.817 -1.696 1.00 0.00 H ATOM 1341 N ASP A 137 19.071 -32.787 -1.147 1.00 60.23 N ATOM 1342 CA ASP A 137 18.479 -33.721 -0.201 1.00 70.25 C ATOM 1343 C ASP A 137 19.499 -34.089 0.822 1.00 65.50 C ATOM 1344 O ASP A 137 19.228 -34.885 1.684 1.00 64.74 O ATOM 1345 CB ASP A 137 18.038 -35.021 -0.920 1.00 81.85 C ATOM 1346 CG ASP A 137 19.190 -35.718 -1.671 1.00 93.76 C ATOM 1347 OD1 ASP A 137 19.539 -35.296 -2.808 1.00 89.38 O ATOM 1348 OD2 ASP A 137 19.738 -36.699 -1.125 1.00111.40 O ATOM 1349 H ASP A 137 19.612 -33.163 -1.952 1.00 0.00 H ATOM 1350 N LEU A 138 20.713 -33.577 0.696 1.00 69.42 N ATOM 1351 CA LEU A 138 21.798 -34.054 1.516 1.00 63.30 C ATOM 1352 C LEU A 138 21.898 -33.199 2.799 1.00 63.64 C ATOM 1353 O LEU A 138 22.065 -31.962 2.734 1.00 58.87 O ATOM 1354 CB LEU A 138 23.080 -33.978 0.689 1.00 69.03 C ATOM 1355 CG LEU A 138 24.272 -34.749 1.226 1.00 68.90 C ATOM 1356 CD1 LEU A 138 23.979 -36.240 1.223 1.00 69.10 C ATOM 1357 CD2 LEU A 138 25.490 -34.456 0.387 1.00 68.92 C ATOM 1358 H LEU A 138 20.885 -32.824 -0.001 1.00 0.00 H ATOM 1359 N LEU A 139 21.759 -33.850 3.954 1.00 58.22 N ATOM 1360 CA LEU A 139 21.930 -33.187 5.237 1.00 56.40 C ATOM 1361 C LEU A 139 23.374 -33.048 5.622 1.00 57.67 C ATOM 1362 O LEU A 139 24.034 -34.031 5.939 1.00 68.11 O ATOM 1363 CB LEU A 139 21.213 -33.916 6.351 1.00 56.80 C ATOM 1364 CG LEU A 139 21.310 -33.168 7.691 1.00 61.07 C ATOM 1365 CD1 LEU A 139 20.646 -31.795 7.661 1.00 55.02 C ATOM 1366 CD2 LEU A 139 20.688 -34.051 8.747 1.00 61.08 C ATOM 1367 H LEU A 139 21.521 -34.862 3.937 1.00 0.00 H ATOM 1368 N VAL A 140 23.819 -31.800 5.660 1.00 55.38 N ATOM 1369 CA VAL A 140 25.179 -31.444 5.926 1.00 55.10 C ATOM 1370 C VAL A 140 25.417 -31.151 7.375 1.00 65.69 C ATOM 1371 O VAL A 140 26.380 -31.658 7.967 1.00 73.04 O ATOM 1372 CB VAL A 140 25.543 -30.178 5.157 1.00 57.14 C ATOM 1373 CG1 VAL A 140 27.027 -29.817 5.365 1.00 54.74 C ATOM 1374 CG2 VAL A 140 25.245 -30.398 3.681 1.00 53.02 C ATOM 1375 H VAL A 140 23.138 -31.033 5.486 1.00 0.00 H ATOM 1376 N SER A 141 24.585 -30.260 7.917 1.00 64.75 N ATOM 1377 CA SER A 141 24.659 -29.912 9.317 1.00 56.93 C ATOM 1378 C SER A 141 23.317 -29.514 9.946 1.00 56.25 C ATOM 1379 O SER A 141 22.367 -29.133 9.277 1.00 58.89 O ATOM 1380 CB SER A 141 25.686 -28.804 9.502 1.00 60.05 C ATOM 1381 OG SER A 141 25.093 -27.534 9.599 1.00 71.21 O ATOM 1382 HG SER A 141 25.799 -26.850 9.718 1.00 0.00 H ATOM 1383 H SER A 141 23.867 -29.806 7.318 1.00 0.00 H ATOM 1384 N THR A 142 23.288 -29.583 11.263 1.00 55.57 N ATOM 1385 CA THR A 142 22.154 -29.230 12.054 1.00 55.40 C ATOM 1386 C THR A 142 22.757 -28.429 13.161 1.00 53.53 C ATOM 1387 O THR A 142 23.604 -28.913 13.903 1.00 51.88 O ATOM 1388 CB THR A 142 21.451 -30.465 12.671 1.00 57.90 C ATOM 1389 OG1 THR A 142 20.976 -31.319 11.638 1.00 54.61 O ATOM 1390 CG2 THR A 142 20.254 -30.023 13.500 1.00 63.45 C ATOM 1391 HG1 THR A 142 20.529 -32.105 12.041 1.00 0.00 H ATOM 1392 H THR A 142 24.143 -29.914 11.754 1.00 0.00 H ATOM 1393 N SER A 143 22.306 -27.205 13.283 1.00 53.01 N ATOM 1394 CA SER A 143 22.820 -26.357 14.297 1.00 55.48 C ATOM 1395 C SER A 143 21.625 -25.840 15.172 1.00 56.79 C ATOM 1396 O SER A 143 20.474 -25.815 14.711 1.00 58.41 O ATOM 1397 CB SER A 143 23.639 -25.258 13.612 1.00 53.93 C ATOM 1398 OG SER A 143 22.819 -24.177 13.261 1.00 65.32 O ATOM 1399 HG SER A 143 23.366 -23.479 12.821 1.00 0.00 H ATOM 1400 H SER A 143 21.571 -26.855 12.636 1.00 0.00 H ATOM 1401 N ARG A 144 21.920 -25.469 16.428 1.00 56.23 N ATOM 1402 CA ARG A 144 20.947 -24.925 17.376 1.00 54.03 C ATOM 1403 C ARG A 144 21.429 -23.635 18.006 1.00 52.36 C ATOM 1404 O ARG A 144 22.607 -23.521 18.358 1.00 49.74 O ATOM 1405 CB ARG A 144 20.692 -25.939 18.481 1.00 56.34 C ATOM 1406 CG ARG A 144 19.569 -26.921 18.158 1.00 61.07 C ATOM 1407 CD ARG A 144 19.544 -28.130 19.085 1.00 59.64 C ATOM 1408 NE ARG A 144 20.035 -29.316 18.385 1.00 79.82 N ATOM 1409 CZ ARG A 144 19.357 -30.017 17.462 1.00 87.37 C ATOM 1410 NH1 ARG A 144 18.126 -29.677 17.079 1.00 94.26 N ATOM 1411 NH2 ARG A 144 19.922 -31.074 16.902 1.00 87.29 N ATOM 1412 HE ARG A 144 20.992 -29.645 18.623 1.00 0.00 H ATOM 1413 HH12 ARG A 144 17.630 -30.243 16.361 1.00 0.00 H ATOM 1414 HH11 ARG A 144 17.662 -28.846 17.498 1.00 0.00 H ATOM 1415 HH22 ARG A 144 19.404 -31.623 16.186 1.00 0.00 H ATOM 1416 HH21 ARG A 144 20.884 -31.356 17.177 1.00 0.00 H ATOM 1417 H ARG A 144 22.904 -25.575 16.748 1.00 0.00 H ATOM 1418 N VAL A 145 20.510 -22.677 18.153 1.00 51.54 N ATOM 1419 CA VAL A 145 20.761 -21.424 18.862 1.00 49.22 C ATOM 1420 C VAL A 145 19.641 -21.170 19.872 1.00 47.84 C ATOM 1421 O VAL A 145 18.500 -21.151 19.504 1.00 56.66 O ATOM 1422 CB VAL A 145 20.792 -20.214 17.903 1.00 56.47 C ATOM 1423 CG1 VAL A 145 21.128 -18.918 18.664 1.00 57.29 C ATOM 1424 CG2 VAL A 145 21.800 -20.427 16.785 1.00 51.64 C ATOM 1425 H VAL A 145 19.567 -22.831 17.742 1.00 0.00 H ATOM 1426 N ARG A 146 19.981 -20.977 21.145 1.00 42.94 N ATOM 1427 CA ARG A 146 19.061 -20.491 22.128 1.00 41.55 C ATOM 1428 C ARG A 146 19.008 -18.934 22.136 1.00 45.21 C ATOM 1429 O ARG A 146 20.050 -18.240 22.059 1.00 47.72 O ATOM 1430 CB ARG A 146 19.470 -21.027 23.482 1.00 42.31 C ATOM 1431 CG ARG A 146 18.439 -20.855 24.541 1.00 41.63 C ATOM 1432 CD ARG A 146 18.861 -21.418 25.865 1.00 44.23 C ATOM 1433 NE ARG A 146 18.877 -22.864 25.879 1.00 53.58 N ATOM 1434 CZ ARG A 146 17.812 -23.677 26.002 1.00 58.14 C ATOM 1435 NH1 ARG A 146 16.535 -23.236 26.095 1.00 58.30 N ATOM 1436 NH2 ARG A 146 18.041 -24.970 26.006 1.00 52.25 N ATOM 1437 HE ARG A 146 19.806 -23.322 25.784 1.00 0.00 H ATOM 1438 HH12 ARG A 146 15.755 -23.918 26.188 1.00 0.00 H ATOM 1439 HH11 ARG A 146 16.334 -22.216 26.073 1.00 0.00 H ATOM 1440 HH22 ARG A 146 17.249 -25.638 26.099 1.00 0.00 H ATOM 1441 HH21 ARG A 146 19.014 -25.326 25.916 1.00 0.00 H ATOM 1442 H ARG A 146 20.956 -21.188 21.437 1.00 0.00 H ATOM 1443 N LEU A 147 17.791 -18.412 22.244 1.00 48.91 N ATOM 1444 CA LEU A 147 17.537 -16.961 22.167 1.00 47.74 C ATOM 1445 C LEU A 147 17.163 -16.367 23.516 1.00 45.90 C ATOM 1446 O LEU A 147 16.308 -16.888 24.219 1.00 49.16 O ATOM 1447 CB LEU A 147 16.397 -16.691 21.209 1.00 50.72 C ATOM 1448 CG LEU A 147 16.737 -16.986 19.770 1.00 51.55 C ATOM 1449 CD1 LEU A 147 15.564 -16.560 18.922 1.00 52.01 C ATOM 1450 CD2 LEU A 147 18.010 -16.257 19.354 1.00 53.11 C ATOM 1451 H LEU A 147 16.985 -19.053 22.389 1.00 0.00 H ATOM 1452 N PHE A 148 17.811 -15.271 23.864 1.00 49.49 N ATOM 1453 CA PHE A 148 17.445 -14.494 25.009 1.00 47.69 C ATOM 1454 C PHE A 148 16.998 -13.194 24.360 1.00 49.87 C ATOM 1455 O PHE A 148 17.644 -12.716 23.422 1.00 55.27 O ATOM 1456 CB PHE A 148 18.630 -14.380 25.979 1.00 49.74 C ATOM 1457 CG PHE A 148 19.189 -15.728 26.403 1.00 51.90 C ATOM 1458 CD1 PHE A 148 18.559 -16.487 27.356 1.00 47.75 C ATOM 1459 CD2 PHE A 148 20.321 -16.262 25.795 1.00 56.82 C ATOM 1460 CE1 PHE A 148 19.052 -17.742 27.721 1.00 52.38 C ATOM 1461 CE2 PHE A 148 20.806 -17.524 26.152 1.00 59.03 C ATOM 1462 CZ PHE A 148 20.148 -18.279 27.090 1.00 55.31 C ATOM 1463 H PHE A 148 18.617 -14.961 23.285 1.00 0.00 H ATOM 1464 N TYR A 149 15.852 -12.691 24.797 1.00 52.54 N ATOM 1465 CA TYR A 149 15.257 -11.443 24.291 1.00 56.41 C ATOM 1466 C TYR A 149 15.563 -10.298 25.277 1.00 57.73 C ATOM 1467 O TYR A 149 15.215 -10.397 26.426 1.00 53.46 O ATOM 1468 CB TYR A 149 13.717 -11.622 24.118 1.00 53.36 C ATOM 1469 CG TYR A 149 13.376 -12.722 23.133 1.00 53.38 C ATOM 1470 CD1 TYR A 149 13.264 -12.478 21.750 1.00 51.58 C ATOM 1471 CD2 TYR A 149 13.267 -14.034 23.572 1.00 57.40 C ATOM 1472 CE1 TYR A 149 13.024 -13.524 20.861 1.00 54.83 C ATOM 1473 CE2 TYR A 149 13.030 -15.077 22.697 1.00 54.27 C ATOM 1474 CZ TYR A 149 12.892 -14.825 21.355 1.00 58.04 C ATOM 1475 OH TYR A 149 12.635 -15.902 20.544 1.00 56.77 O ATOM 1476 HH TYR A 149 12.557 -15.596 19.606 1.00 0.00 H ATOM 1477 H TYR A 149 15.343 -13.209 25.542 1.00 0.00 H ATOM 1478 N VAL A 150 16.176 -9.210 24.831 1.00 65.33 N ATOM 1479 CA VAL A 150 16.766 -8.199 25.752 1.00 72.20 C ATOM 1480 C VAL A 150 16.311 -6.755 25.549 1.00 63.84 C ATOM 1481 O VAL A 150 15.829 -6.433 24.475 1.00 67.19 O ATOM 1482 CB VAL A 150 18.293 -8.213 25.630 1.00 72.57 C ATOM 1483 CG1 VAL A 150 18.811 -9.590 25.990 1.00 68.84 C ATOM 1484 CG2 VAL A 150 18.745 -7.822 24.222 1.00 77.20 C ATOM 1485 H VAL A 150 16.247 -9.058 23.805 1.00 0.00 H TER 1486 VAL A 150 HETATM 1487 O HOH 1 27.636 -18.635 21.383 1.00 61.21 O HETATM 1488 O HOH 2 24.758 -26.246 17.094 1.00 52.28 O HETATM 1489 O HOH 3 24.091 -29.698 16.302 1.00 53.47 O HETATM 1490 O HOH 4 19.678 -22.091 14.162 1.00 44.81 O HETATM 1491 O HOH 5 13.595 -29.621 9.156 1.00 57.25 O HETATM 1492 O HOH 6 38.925 -30.091 2.480 1.00 54.92 O HETATM 1493 O HOH 7 35.555 -38.847 10.353 1.00 50.71 O HETATM 1494 O HOH 8 13.271 -24.402 28.059 1.00 57.38 O HETATM 1495 O HOH 9 12.860 -25.544 23.090 1.00 56.80 O HETATM 1496 O HOH 10 38.636 -27.011 6.526 1.00 58.25 O HETATM 1497 O HOH 11 14.842 -25.717 25.636 1.00 57.67 O HETATM 1498 O HOH 12 15.728 -33.542 -1.473 1.00 71.66 O HETATM 1499 O HOH 13 24.482 -12.134 20.742 1.00 63.50 O HETATM 1500 O HOH 14 30.064 -11.811 -2.244 1.00 72.43 O HETATM 1501 O HOH 15 23.266 -28.754 18.992 1.00 64.69 O HETATM 1502 O HOH 16 5.922 -30.164 17.663 1.00 61.77 O HETATM 1503 O HOH 17 -0.075 -14.936 22.881 1.00 70.70 O HETATM 1504 O HOH 18 18.129 -20.810 29.607 1.00 54.04 O HETATM 1505 O HOH 19 20.026 -16.256 -4.232 1.00 59.75 O HETATM 1506 O HOH 20 39.662 -18.312 -5.088 1.00 73.58 O HETATM 1507 O HOH 21 15.324 -28.879 19.996 1.00 62.69 O HETATM 1508 O HOH 22 4.422 -26.127 12.524 1.00 70.80 O HETATM 1509 O HOH 23 6.112 -29.182 12.546 1.00 73.20 O HETATM 1510 FAX P A 59 19.231 -17.713 16.075 1.00 -0.19 F HETATM 1511 CAS P A 59 19.704 -16.634 15.350 1.00 0.14 C HETATM 1512 CAT P A 59 20.342 -15.552 15.989 1.00 -0.03 C HETATM 1513 CAU P A 59 20.823 -14.449 15.278 1.00 -0.07 C HETATM 1514 CAV P A 59 20.669 -14.459 13.890 1.00 -0.07 C HETATM 1515 CAW P A 59 20.025 -15.547 13.250 1.00 -0.06 C HETATM 1516 CAL P A 59 19.553 -16.660 13.979 1.00 0.04 C HETATM 1517 CAH P A 59 18.896 -17.789 13.436 1.00 0.18 C HETATM 1518 NAG P A 59 19.833 -18.904 13.387 1.00 -0.28 N HETATM 1519 CAE P A 59 20.707 -18.978 12.331 1.00 0.06 C HETATM 1520 CAD P A 59 21.841 -19.717 12.480 1.00 -0.04 C HETATM 1521 CAC P A 59 22.751 -19.814 11.462 1.00 -0.07 C HETATM 1522 CAB P A 59 22.475 -19.176 10.282 1.00 -0.07 C HETATM 1523 CAA P A 59 21.303 -18.458 10.138 1.00 -0.05 C HETATM 1524 CAF P A 59 20.429 -18.311 11.182 1.00 0.07 C HETATM 1525 CAJ P A 59 19.201 -17.661 11.048 1.00 0.23 C HETATM 1526 OAM P A 59 18.717 -17.440 9.953 1.00 -0.38 O HETATM 1527 NAI P A 59 18.385 -17.516 12.090 1.00 -0.19 N HETATM 1528 CAK P A 59 17.120 -17.138 11.954 1.00 0.07 C HETATM 1529 CAN P A 59 16.212 -18.165 11.781 1.00 -0.04 C HETATM 1530 CAO P A 59 14.863 -17.931 11.635 1.00 -0.08 C HETATM 1531 CAP P A 59 14.421 -16.626 11.647 1.00 -0.08 C HETATM 1532 CAQ P A 59 15.327 -15.577 11.791 1.00 -0.08 C HETATM 1533 CAR P A 59 16.693 -15.830 11.954 1.00 -0.04 C HETATM 1534 H15 P A 59 17.398 -15.016 12.077 1.00 0.05 H HETATM 1535 H14 P A 59 14.969 -14.554 11.777 1.00 0.06 H HETATM 1536 H13 P A 59 13.363 -16.414 11.544 1.00 0.05 H HETATM 1537 H12 P A 59 14.166 -18.753 11.514 1.00 0.06 H HETATM 1538 H11 P A 59 16.573 -19.187 11.759 1.00 0.05 H HETATM 1539 H10 P A 59 21.071 -18.003 9.182 1.00 0.06 H HETATM 1540 H9 P A 59 23.178 -19.234 9.459 1.00 0.05 H HETATM 1541 H8 P A 59 23.666 -20.381 11.587 1.00 0.06 H HETATM 1542 H7 P A 59 22.025 -20.234 13.415 1.00 0.05 H HETATM 1543 H6 P A 59 19.839 -19.620 14.127 1.00 0.18 H HETATM 1544 H5 P A 59 18.050 -18.055 14.087 1.00 0.11 H HETATM 1545 H4 P A 59 19.892 -15.524 12.175 1.00 0.05 H HETATM 1546 H3 P A 59 21.044 -13.631 13.300 1.00 0.06 H HETATM 1547 H2 P A 59 21.298 -13.617 15.785 1.00 0.05 H HETATM 1548 H1 P A 59 20.463 -15.576 17.066 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1138 1139 1145 1146 1147 CONECT 1145 1138 CONECT 1146 1138 CONECT 1147 1138 CONECT 1510 1511 CONECT 1511 1510 1512 1516 CONECT 1512 1511 1513 1548 CONECT 1513 1512 1514 1547 CONECT 1514 1513 1515 1546 CONECT 1515 1514 1516 1545 CONECT 1516 1511 1515 1517 CONECT 1517 1516 1518 1527 1544 CONECT 1518 1517 1519 1543 CONECT 1519 1518 1520 1524 CONECT 1520 1519 1521 1542 CONECT 1521 1520 1522 1541 CONECT 1522 1521 1523 1540 CONECT 1523 1522 1524 1539 CONECT 1524 1519 1523 1525 CONECT 1525 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1517 1525 1528 CONECT 1528 1527 1529 1533 CONECT 1529 1528 1530 1538 CONECT 1530 1529 1531 1537 CONECT 1531 1530 1532 1536 CONECT 1532 1531 1533 1535 CONECT 1533 1528 1532 1534 CONECT 1534 1533 CONECT 1535 1532 CONECT 1536 1531 CONECT 1537 1530 CONECT 1538 1529 CONECT 1539 1523 CONECT 1540 1522 CONECT 1541 1521 CONECT 1542 1520 CONECT 1543 1518 CONECT 1544 1517 CONECT 1545 1515 CONECT 1546 1514 CONECT 1547 1513 CONECT 1548 1512 MASTER 0 0 0 0 0 0 0 0 1546 2 47 12 END
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Structure:
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Related entries of code: 5x73
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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152aa, >3T5I_1|Chains... *
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152aa, >4JVB_1|Chain... at 100%
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5e8f
RCSB PDB
PDBbind
149aa, >5E8F_1|Chains... at 100%
5f2u
RCSB PDB
PDBbind
149aa, >5F2U_1|Chains... at 100%
5ml2
RCSB PDB
PDBbind
149aa, >5ML2_1|Chain... at 100%
5ml3
RCSB PDB
PDBbind
149aa, >5ML3_1|Chain... at 100%
5ml4
RCSB PDB
PDBbind
149aa, >5ML4_1|Chain... at 100%
5ml6
RCSB PDB
PDBbind
149aa, >5ML6_1|Chain... at 100%
5ml8
RCSB PDB
PDBbind
149aa, >5ML8_1|Chain... at 100%
5tar
RCSB PDB
PDBbind
148aa, >5TAR_2|Chain... at 100%
5x72
RCSB PDB
PDBbind
150aa, >5X72_1|Chain... at 100%
5x74
RCSB PDB
PDBbind
150aa, >5X74_1|Chain... at 99%
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
5x73
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
Ligand Name
P59
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=184nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 9400-9406
Ligand Properties
Formula
C
2
0
H
1
5
FN
2
O
Molecular Weight
318.344
Exact Mass
318.117
No. of atoms
39
No. of bonds
42
Polar Surface Area
32.34
LOGP Value
4.42 (
Computed with XLOGP3
)
4.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
Fc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1
InChI String
InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O43924
Entrez Gene ID
NCBI Entrez Gene ID:
5147
ASD
Information of known allosteric effects of PDB entries
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