Browse entries in the PDBbind-CN Database
HEADER 4UYH_COMPLEX COMPND 4UYH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 VAL THR ASN GLN LEU GLN TYR LEU HIS LYS VAL VAL MET SEQRES 2 A 109 LYS ALA LEU TRP LYS HIS GLN PHE ALA TRP PRO PHE ARG SEQRES 3 A 109 GLN PRO VAL ASP ALA VAL LYS LEU GLY LEU PRO ASP TYR SEQRES 4 A 109 HIS LYS ILE ILE LYS GLN PRO MET ASP MET GLY THR ILE SEQRES 5 A 109 LYS ARG ARG LEU GLU ASN ASN TYR TYR TRP ALA ALA SER SEQRES 6 A 109 GLU CYS MET GLN ASP PHE ASN THR MET PHE THR ASN CYS SEQRES 7 A 109 TYR ILE TYR ASN LYS PRO THR ASP ASP ILE VAL LEU MET SEQRES 8 A 109 ALA GLN THR LEU GLU LYS ILE PHE LEU GLN LYS VAL ALA SEQRES 9 A 109 SER MET PRO GLN GLU HET UNN A 285 70 ATOM 1 N VAL A 75 5.575 -2.768 15.191 1.00 68.56 N ATOM 2 CA VAL A 75 5.660 -1.345 15.630 1.00 66.06 C ATOM 3 C VAL A 75 6.547 -1.208 16.867 1.00 64.32 C ATOM 4 O VAL A 75 6.485 -2.034 17.781 1.00 67.93 O ATOM 5 CB VAL A 75 4.261 -0.772 15.947 1.00 67.29 C ATOM 6 CG1 VAL A 75 4.369 0.621 16.549 1.00 66.40 C ATOM 7 CG2 VAL A 75 3.401 -0.747 14.692 1.00 66.57 C ATOM 8 HN3 VAL A 75 5.171 -3.343 15.958 1.00 0.00 H ATOM 9 HN2 VAL A 75 6.528 -3.116 14.960 1.00 0.00 H ATOM 10 HN1 VAL A 75 4.967 -2.834 14.350 1.00 0.00 H ATOM 11 N THR A 76 7.379 -0.169 16.874 1.00 56.91 N ATOM 12 CA THR A 76 8.161 0.213 18.051 1.00 52.35 C ATOM 13 C THR A 76 8.184 1.735 18.187 1.00 48.38 C ATOM 14 O THR A 76 7.766 2.458 17.278 1.00 47.54 O ATOM 15 CB THR A 76 9.614 -0.304 17.975 1.00 51.69 C ATOM 16 OG1 THR A 76 10.284 0.281 16.847 1.00 49.10 O ATOM 17 CG2 THR A 76 9.647 -1.818 17.855 1.00 51.27 C ATOM 18 HG1 THR A 76 11.214 -0.056 16.806 1.00 0.00 H ATOM 19 H THR A 76 7.478 0.396 16.006 1.00 0.00 H ATOM 20 N ASN A 77 8.664 2.209 19.333 1.00 45.74 N ATOM 21 CA ASN A 77 8.864 3.642 19.568 1.00 44.22 C ATOM 22 C ASN A 77 9.786 4.273 18.516 1.00 40.59 C ATOM 23 O ASN A 77 9.523 5.366 18.014 1.00 39.81 O ATOM 24 CB ASN A 77 9.437 3.882 20.978 1.00 47.04 C ATOM 25 CG ASN A 77 10.695 3.060 21.262 1.00 48.16 C ATOM 26 OD1 ASN A 77 11.004 2.099 20.553 1.00 46.92 O ATOM 27 ND2 ASN A 77 11.420 3.433 22.312 1.00 50.78 N ATOM 28 HD22 ASN A 77 11.125 4.250 22.884 1.00 0.00 H ATOM 29 HD21 ASN A 77 12.283 2.908 22.561 1.00 0.00 H ATOM 30 H ASN A 77 8.906 1.539 20.090 1.00 0.00 H ATOM 31 N GLN A 78 10.856 3.563 18.189 1.00 37.87 N ATOM 32 CA GLN A 78 11.872 4.056 17.261 1.00 37.98 C ATOM 33 C GLN A 78 11.348 4.109 15.832 1.00 35.39 C ATOM 34 O GLN A 78 11.585 5.077 15.117 1.00 34.43 O ATOM 35 CB GLN A 78 13.109 3.164 17.320 1.00 38.23 C ATOM 36 CG GLN A 78 13.810 3.154 18.667 1.00 40.17 C ATOM 37 CD GLN A 78 15.131 2.410 18.628 1.00 41.03 C ATOM 38 OE1 GLN A 78 15.208 1.288 18.129 1.00 41.97 O ATOM 39 NE2 GLN A 78 16.181 3.032 19.153 1.00 41.67 N ATOM 40 HE22 GLN A 78 16.071 3.981 19.565 1.00 0.00 H ATOM 41 HE21 GLN A 78 17.113 2.570 19.152 1.00 0.00 H ATOM 42 H GLN A 78 10.977 2.619 18.609 1.00 0.00 H ATOM 43 N LEU A 79 10.637 3.062 15.424 1.00 34.57 N ATOM 44 CA LEU A 79 10.078 2.988 14.074 1.00 34.17 C ATOM 45 C LEU A 79 9.018 4.052 13.823 1.00 34.33 C ATOM 46 O LEU A 79 8.943 4.600 12.727 1.00 32.23 O ATOM 47 CB LEU A 79 9.515 1.589 13.790 1.00 34.36 C ATOM 48 CG LEU A 79 10.565 0.532 13.440 1.00 34.57 C ATOM 49 CD1 LEU A 79 9.966 -0.866 13.496 1.00 36.60 C ATOM 50 CD2 LEU A 79 11.167 0.798 12.063 1.00 33.82 C ATOM 51 H LEU A 79 10.474 2.274 16.083 1.00 0.00 H ATOM 52 N GLN A 80 8.198 4.338 14.834 1.00 34.04 N ATOM 53 CA GLN A 80 7.234 5.431 14.745 1.00 36.30 C ATOM 54 C GLN A 80 7.929 6.774 14.589 1.00 32.31 C ATOM 55 O GLN A 80 7.478 7.624 13.823 1.00 32.36 O ATOM 56 CB GLN A 80 6.318 5.456 15.976 1.00 40.81 C ATOM 57 CG GLN A 80 5.151 4.490 15.864 1.00 45.28 C ATOM 58 CD GLN A 80 4.126 4.939 14.838 1.00 50.82 C ATOM 59 OE1 GLN A 80 3.692 6.093 14.839 1.00 55.75 O ATOM 60 NE2 GLN A 80 3.729 4.025 13.961 1.00 52.97 N ATOM 61 HE22 GLN A 80 4.123 3.063 13.998 1.00 0.00 H ATOM 62 HE21 GLN A 80 3.024 4.271 13.237 1.00 0.00 H ATOM 63 H GLN A 80 8.246 3.771 15.704 1.00 0.00 H ATOM 64 N TYR A 81 9.024 6.963 15.318 1.00 31.72 N ATOM 65 CA TYR A 81 9.823 8.169 15.179 1.00 30.94 C ATOM 66 C TYR A 81 10.380 8.274 13.757 1.00 30.27 C ATOM 67 O TYR A 81 10.283 9.322 13.125 1.00 29.28 O ATOM 68 CB TYR A 81 10.969 8.182 16.184 1.00 30.33 C ATOM 69 CG TYR A 81 11.801 9.437 16.121 1.00 30.60 C ATOM 70 CD1 TYR A 81 11.437 10.566 16.835 1.00 30.92 C ATOM 71 CD2 TYR A 81 12.948 9.503 15.330 1.00 29.36 C ATOM 72 CE1 TYR A 81 12.187 11.727 16.781 1.00 31.50 C ATOM 73 CE2 TYR A 81 13.710 10.657 15.274 1.00 29.29 C ATOM 74 CZ TYR A 81 13.328 11.768 16.002 1.00 30.19 C ATOM 75 OH TYR A 81 14.068 12.923 15.958 1.00 29.54 O ATOM 76 HH TYR A 81 14.986 12.738 16.279 1.00 0.00 H ATOM 77 H TYR A 81 9.315 6.234 16.001 1.00 0.00 H ATOM 78 N LEU A 82 10.956 7.183 13.262 1.00 29.88 N ATOM 79 CA LEU A 82 11.499 7.161 11.897 1.00 29.43 C ATOM 80 C LEU A 82 10.429 7.478 10.844 1.00 30.77 C ATOM 81 O LEU A 82 10.711 8.137 9.845 1.00 29.04 O ATOM 82 CB LEU A 82 12.179 5.819 11.598 1.00 29.62 C ATOM 83 CG LEU A 82 13.521 5.616 12.318 1.00 30.54 C ATOM 84 CD1 LEU A 82 14.067 4.217 12.082 1.00 29.76 C ATOM 85 CD2 LEU A 82 14.540 6.663 11.894 1.00 31.52 C ATOM 86 H LEU A 82 11.024 6.329 13.852 1.00 0.00 H ATOM 87 N HIS A 83 9.200 7.033 11.083 1.00 30.60 N ATOM 88 CA HIS A 83 8.093 7.311 10.169 1.00 32.58 C ATOM 89 C HIS A 83 7.564 8.724 10.316 1.00 32.38 C ATOM 90 O HIS A 83 7.535 9.484 9.347 1.00 29.19 O ATOM 91 CB HIS A 83 6.972 6.297 10.397 1.00 36.35 C ATOM 92 CG HIS A 83 5.974 6.216 9.265 1.00 39.90 C ATOM 93 ND1 HIS A 83 5.025 5.261 9.211 1.00 42.34 N ATOM 94 CD2 HIS A 83 5.816 6.994 8.118 1.00 41.25 C ATOM 95 CE1 HIS A 83 4.282 5.434 8.103 1.00 44.35 C ATOM 96 NE2 HIS A 83 4.769 6.493 7.434 1.00 44.82 N ATOM 97 H HIS A 83 9.021 6.473 11.941 1.00 0.00 H ATOM 98 N LYS A 84 7.142 9.097 11.526 1.00 33.25 N ATOM 99 CA LYS A 84 6.478 10.388 11.749 1.00 34.16 C ATOM 100 C LYS A 84 7.410 11.610 11.736 1.00 33.35 C ATOM 101 O LYS A 84 6.950 12.716 11.474 1.00 34.57 O ATOM 102 CB LYS A 84 5.685 10.376 13.071 1.00 38.57 C ATOM 103 CG LYS A 84 4.432 9.511 13.056 1.00 42.28 C ATOM 104 CD LYS A 84 3.435 9.982 14.111 1.00 46.88 C ATOM 105 CE LYS A 84 2.294 8.995 14.315 1.00 50.58 C ATOM 106 NZ LYS A 84 1.410 9.380 15.454 1.00 54.35 N ATOM 107 HZ1 LYS A 84 1.970 9.412 16.330 1.00 0.00 H ATOM 108 HZ2 LYS A 84 0.998 10.317 15.270 1.00 0.00 H ATOM 109 HZ3 LYS A 84 0.649 8.678 15.553 1.00 0.00 H ATOM 110 H LYS A 84 7.287 8.457 12.332 1.00 0.00 H ATOM 111 N VAL A 85 8.698 11.423 12.039 1.00 32.14 N ATOM 112 CA VAL A 85 9.645 12.540 12.101 1.00 31.01 C ATOM 113 C VAL A 85 10.644 12.502 10.931 1.00 29.24 C ATOM 114 O VAL A 85 10.742 13.466 10.173 1.00 29.21 O ATOM 115 CB VAL A 85 10.402 12.569 13.447 1.00 32.86 C ATOM 116 CG1 VAL A 85 11.415 13.702 13.479 1.00 32.79 C ATOM 117 CG2 VAL A 85 9.420 12.712 14.608 1.00 34.41 C ATOM 118 H VAL A 85 9.037 10.460 12.236 1.00 0.00 H ATOM 119 N VAL A 86 11.369 11.395 10.779 1.00 26.63 N ATOM 120 CA VAL A 86 12.425 11.318 9.752 1.00 26.10 C ATOM 121 C VAL A 86 11.847 11.253 8.330 1.00 25.82 C ATOM 122 O VAL A 86 12.150 12.110 7.509 1.00 26.66 O ATOM 123 CB VAL A 86 13.409 10.155 10.005 1.00 26.35 C ATOM 124 CG1 VAL A 86 14.483 10.115 8.922 1.00 27.11 C ATOM 125 CG2 VAL A 86 14.066 10.295 11.376 1.00 26.17 C ATOM 126 H VAL A 86 11.188 10.575 11.392 1.00 0.00 H ATOM 127 N MET A 87 11.029 10.248 8.031 1.00 26.26 N ATOM 128 CA MET A 87 10.462 10.121 6.680 1.00 27.23 C ATOM 129 C MET A 87 9.554 11.299 6.323 1.00 29.26 C ATOM 130 O MET A 87 9.604 11.795 5.202 1.00 27.67 O ATOM 131 CB MET A 87 9.708 8.804 6.492 1.00 30.00 C ATOM 132 CG MET A 87 9.090 8.663 5.106 1.00 30.83 C ATOM 133 SD MET A 87 10.344 8.731 3.804 1.00 33.17 S ATOM 134 CE MET A 87 11.001 7.086 4.057 1.00 30.96 C ATOM 135 H MET A 87 10.788 9.546 8.759 1.00 0.00 H ATOM 136 N LYS A 88 8.731 11.748 7.271 1.00 30.81 N ATOM 137 CA LYS A 88 7.897 12.931 7.049 1.00 33.14 C ATOM 138 C LYS A 88 8.723 14.127 6.574 1.00 32.12 C ATOM 139 O LYS A 88 8.349 14.794 5.608 1.00 34.71 O ATOM 140 CB LYS A 88 7.120 13.304 8.315 1.00 35.70 C ATOM 141 CG LYS A 88 6.104 14.423 8.100 1.00 39.94 C ATOM 142 CD LYS A 88 4.917 14.302 9.046 1.00 44.08 C ATOM 143 CE LYS A 88 3.928 13.246 8.576 1.00 47.56 C ATOM 144 NZ LYS A 88 3.044 12.768 9.677 1.00 50.72 N ATOM 145 HZ1 LYS A 88 3.626 12.351 10.431 1.00 0.00 H ATOM 146 HZ2 LYS A 88 2.503 13.570 10.058 1.00 0.00 H ATOM 147 HZ3 LYS A 88 2.389 12.050 9.307 1.00 0.00 H ATOM 148 H LYS A 88 8.681 11.250 8.183 1.00 0.00 H ATOM 149 N ALA A 89 9.840 14.387 7.250 1.00 29.26 N ATOM 150 CA ALA A 89 10.740 15.486 6.884 1.00 29.50 C ATOM 151 C ALA A 89 11.384 15.286 5.511 1.00 28.41 C ATOM 152 O ALA A 89 11.361 16.186 4.671 1.00 28.50 O ATOM 153 CB ALA A 89 11.820 15.662 7.939 1.00 28.82 C ATOM 154 H ALA A 89 10.083 13.790 8.066 1.00 0.00 H ATOM 155 N LEU A 90 11.945 14.105 5.276 1.00 26.47 N ATOM 156 CA LEU A 90 12.686 13.859 4.029 1.00 25.86 C ATOM 157 C LEU A 90 11.780 13.787 2.800 1.00 26.05 C ATOM 158 O LEU A 90 12.144 14.283 1.735 1.00 25.48 O ATOM 159 CB LEU A 90 13.524 12.582 4.141 1.00 25.93 C ATOM 160 CG LEU A 90 14.629 12.597 5.201 1.00 27.49 C ATOM 161 CD1 LEU A 90 15.501 11.358 5.066 1.00 28.00 C ATOM 162 CD2 LEU A 90 15.480 13.849 5.114 1.00 27.83 C ATOM 163 H LEU A 90 11.859 13.346 5.982 1.00 0.00 H ATOM 164 N TRP A 91 10.604 13.177 2.956 1.00 24.88 N ATOM 165 CA TRP A 91 9.677 12.942 1.840 1.00 26.11 C ATOM 166 C TRP A 91 9.223 14.217 1.177 1.00 26.35 C ATOM 167 O TRP A 91 9.156 14.281 -0.049 1.00 27.17 O ATOM 168 CB TRP A 91 8.452 12.165 2.318 1.00 27.35 C ATOM 169 CG TRP A 91 7.531 11.744 1.198 1.00 28.34 C ATOM 170 CD1 TRP A 91 6.290 12.281 0.867 1.00 29.50 C ATOM 171 CD2 TRP A 91 7.759 10.680 0.218 1.00 28.40 C ATOM 172 NE1 TRP A 91 5.753 11.639 -0.220 1.00 31.25 N ATOM 173 CE2 TRP A 91 6.585 10.667 -0.658 1.00 29.47 C ATOM 174 CE3 TRP A 91 8.781 9.770 -0.015 1.00 28.09 C ATOM 175 CZ2 TRP A 91 6.463 9.773 -1.709 1.00 29.23 C ATOM 176 CZ3 TRP A 91 8.643 8.870 -1.076 1.00 27.42 C ATOM 177 CH2 TRP A 91 7.509 8.871 -1.901 1.00 29.38 C ATOM 178 HE1 TRP A 91 4.833 11.868 -0.648 1.00 0.00 H ATOM 179 H TRP A 91 10.332 12.854 3.907 1.00 0.00 H ATOM 180 N LYS A 92 8.930 15.238 1.980 1.00 27.66 N ATOM 181 CA LYS A 92 8.401 16.509 1.468 1.00 28.52 C ATOM 182 C LYS A 92 9.476 17.535 1.115 1.00 27.64 C ATOM 183 O LYS A 92 9.153 18.644 0.674 1.00 26.66 O ATOM 184 CB LYS A 92 7.417 17.126 2.475 1.00 32.20 C ATOM 185 CG LYS A 92 8.051 17.674 3.746 1.00 33.43 C ATOM 186 CD LYS A 92 6.999 18.297 4.648 1.00 39.27 C ATOM 187 CE LYS A 92 7.610 18.789 5.948 1.00 41.83 C ATOM 188 NZ LYS A 92 6.646 19.586 6.763 1.00 47.65 N ATOM 189 HZ1 LYS A 92 6.337 20.416 6.218 1.00 0.00 H ATOM 190 HZ2 LYS A 92 5.822 18.997 6.997 1.00 0.00 H ATOM 191 HZ3 LYS A 92 7.110 19.899 7.639 1.00 0.00 H ATOM 192 H LYS A 92 9.081 15.132 3.004 1.00 0.00 H ATOM 193 N HIS A 93 10.745 17.167 1.295 1.00 24.32 N ATOM 194 CA HIS A 93 11.863 18.075 1.050 1.00 24.40 C ATOM 195 C HIS A 93 11.992 18.392 -0.420 1.00 24.17 C ATOM 196 O HIS A 93 11.745 17.545 -1.270 1.00 22.66 O ATOM 197 CB HIS A 93 13.159 17.446 1.559 1.00 23.90 C ATOM 198 CG HIS A 93 14.301 18.416 1.688 1.00 23.25 C ATOM 199 ND1 HIS A 93 15.045 18.807 0.634 1.00 22.72 N ATOM 200 CD2 HIS A 93 14.824 19.061 2.799 1.00 24.70 C ATOM 201 CE1 HIS A 93 15.988 19.669 1.051 1.00 23.96 C ATOM 202 NE2 HIS A 93 15.852 19.828 2.375 1.00 24.47 N ATOM 203 H HIS A 93 10.946 16.200 1.621 1.00 0.00 H ATOM 204 N GLN A 94 12.393 19.622 -0.731 1.00 23.57 N ATOM 205 CA GLN A 94 12.521 20.056 -2.123 1.00 24.04 C ATOM 206 C GLN A 94 13.590 19.295 -2.933 1.00 22.26 C ATOM 207 O GLN A 94 13.571 19.331 -4.155 1.00 22.31 O ATOM 208 CB GLN A 94 12.805 21.560 -2.187 1.00 25.84 C ATOM 209 CG GLN A 94 14.125 21.960 -1.544 1.00 26.67 C ATOM 210 CD GLN A 94 14.521 23.388 -1.856 1.00 32.04 C ATOM 211 OE1 GLN A 94 14.272 23.890 -2.955 1.00 34.05 O ATOM 212 NE2 GLN A 94 15.152 24.053 -0.887 1.00 32.24 N ATOM 213 HE22 GLN A 94 15.341 23.589 0.024 1.00 0.00 H ATOM 214 HE21 GLN A 94 15.455 25.036 -1.043 1.00 0.00 H ATOM 215 H GLN A 94 12.621 20.290 0.033 1.00 0.00 H ATOM 216 N PHE A 95 14.522 18.624 -2.256 1.00 22.05 N ATOM 217 CA PHE A 95 15.537 17.814 -2.932 1.00 21.27 C ATOM 218 C PHE A 95 15.174 16.325 -2.931 1.00 21.05 C ATOM 219 O PHE A 95 15.962 15.515 -3.381 1.00 20.91 O ATOM 220 CB PHE A 95 16.921 17.973 -2.273 1.00 22.58 C ATOM 221 CG PHE A 95 17.527 19.357 -2.372 1.00 23.85 C ATOM 222 CD1 PHE A 95 17.081 20.300 -3.293 1.00 25.87 C ATOM 223 CD2 PHE A 95 18.591 19.696 -1.541 1.00 25.44 C ATOM 224 CE1 PHE A 95 17.664 21.562 -3.355 1.00 26.00 C ATOM 225 CE2 PHE A 95 19.179 20.948 -1.602 1.00 26.42 C ATOM 226 CZ PHE A 95 18.712 21.882 -2.509 1.00 27.09 C ATOM 227 H PHE A 95 14.528 18.678 -1.217 1.00 0.00 H ATOM 228 N ALA A 96 13.991 15.966 -2.432 1.00 20.76 N ATOM 229 CA ALA A 96 13.621 14.548 -2.305 1.00 20.59 C ATOM 230 C ALA A 96 13.253 13.872 -3.621 1.00 20.27 C ATOM 231 O ALA A 96 13.336 12.653 -3.713 1.00 19.33 O ATOM 232 CB ALA A 96 12.481 14.381 -1.321 1.00 21.83 C ATOM 233 H ALA A 96 13.320 16.700 -2.128 1.00 0.00 H ATOM 234 N TRP A 97 12.843 14.643 -4.628 1.00 21.92 N ATOM 235 CA TRP A 97 12.218 14.049 -5.831 1.00 21.96 C ATOM 236 C TRP A 97 13.041 12.978 -6.568 1.00 22.00 C ATOM 237 O TRP A 97 12.472 11.985 -7.031 1.00 23.49 O ATOM 238 CB TRP A 97 11.673 15.141 -6.772 1.00 23.94 C ATOM 239 CG TRP A 97 12.734 16.007 -7.378 1.00 23.86 C ATOM 240 CD1 TRP A 97 13.206 17.232 -6.916 1.00 24.13 C ATOM 241 CD2 TRP A 97 13.527 15.718 -8.571 1.00 24.68 C ATOM 242 NE1 TRP A 97 14.211 17.702 -7.725 1.00 24.60 N ATOM 243 CE2 TRP A 97 14.446 16.843 -8.737 1.00 24.15 C ATOM 244 CE3 TRP A 97 13.561 14.680 -9.490 1.00 25.45 C ATOM 245 CZ2 TRP A 97 15.355 16.900 -9.783 1.00 25.38 C ATOM 246 CZ3 TRP A 97 14.481 14.751 -10.534 1.00 26.11 C ATOM 247 CH2 TRP A 97 15.351 15.834 -10.678 1.00 26.11 C ATOM 248 HE1 TRP A 97 14.720 18.597 -7.577 1.00 0.00 H ATOM 249 H TRP A 97 12.964 15.674 -4.568 1.00 0.00 H ATOM 250 N PRO A 98 14.386 13.120 -6.660 1.00 20.47 N ATOM 251 CA PRO A 98 15.123 12.030 -7.331 1.00 21.58 C ATOM 252 C PRO A 98 15.135 10.700 -6.567 1.00 21.27 C ATOM 253 O PRO A 98 15.493 9.669 -7.145 1.00 22.17 O ATOM 254 CB PRO A 98 16.556 12.576 -7.438 1.00 22.00 C ATOM 255 CG PRO A 98 16.436 14.055 -7.200 1.00 21.38 C ATOM 256 CD PRO A 98 15.304 14.186 -6.229 1.00 21.86 C ATOM 257 N PHE A 99 14.740 10.733 -5.298 1.00 21.16 N ATOM 258 CA PHE A 99 14.869 9.598 -4.391 1.00 21.66 C ATOM 259 C PHE A 99 13.521 8.982 -4.015 1.00 21.28 C ATOM 260 O PHE A 99 13.488 8.045 -3.234 1.00 21.33 O ATOM 261 CB PHE A 99 15.577 10.048 -3.108 1.00 22.32 C ATOM 262 CG PHE A 99 16.934 10.646 -3.341 1.00 23.68 C ATOM 263 CD1 PHE A 99 18.042 9.829 -3.514 1.00 22.83 C ATOM 264 CD2 PHE A 99 17.108 12.027 -3.376 1.00 23.73 C ATOM 265 CE1 PHE A 99 19.305 10.375 -3.729 1.00 23.08 C ATOM 266 CE2 PHE A 99 18.367 12.577 -3.588 1.00 24.01 C ATOM 267 CZ PHE A 99 19.463 11.752 -3.770 1.00 23.42 C ATOM 268 H PHE A 99 14.318 11.611 -4.934 1.00 0.00 H ATOM 269 N ARG A 100 12.420 9.513 -4.543 1.00 23.06 N ATOM 270 CA ARG A 100 11.081 9.064 -4.124 1.00 23.60 C ATOM 271 C ARG A 100 10.627 7.756 -4.783 1.00 24.17 C ATOM 272 O ARG A 100 9.659 7.151 -4.336 1.00 24.89 O ATOM 273 CB ARG A 100 10.032 10.147 -4.388 1.00 25.78 C ATOM 274 CG ARG A 100 10.108 11.322 -3.427 1.00 26.22 C ATOM 275 CD ARG A 100 8.823 12.128 -3.435 1.00 29.48 C ATOM 276 NE ARG A 100 8.986 13.413 -2.756 1.00 30.93 N ATOM 277 CZ ARG A 100 8.893 14.615 -3.330 1.00 32.45 C ATOM 278 NH1 ARG A 100 8.612 14.754 -4.626 1.00 33.18 N ATOM 279 NH2 ARG A 100 9.064 15.703 -2.587 1.00 34.26 N ATOM 280 HE ARG A 100 9.192 13.388 -1.737 1.00 0.00 H ATOM 281 HH12 ARG A 100 8.546 15.704 -5.045 1.00 0.00 H ATOM 282 HH11 ARG A 100 8.459 13.913 -5.218 1.00 0.00 H ATOM 283 HH22 ARG A 100 8.994 16.645 -3.021 1.00 0.00 H ATOM 284 HH21 ARG A 100 9.268 15.612 -1.571 1.00 0.00 H ATOM 285 H ARG A 100 12.507 10.258 -5.264 1.00 0.00 H ATOM 286 N GLN A 101 11.286 7.364 -5.867 1.00 24.79 N ATOM 287 CA GLN A 101 11.009 6.097 -6.546 1.00 27.08 C ATOM 288 C GLN A 101 12.326 5.391 -6.858 1.00 24.93 C ATOM 289 O GLN A 101 13.377 6.034 -6.895 1.00 23.38 O ATOM 290 CB GLN A 101 10.228 6.343 -7.846 1.00 31.72 C ATOM 291 CG GLN A 101 8.736 6.584 -7.649 1.00 38.30 C ATOM 292 CD GLN A 101 7.990 6.886 -8.947 1.00 44.12 C ATOM 293 OE1 GLN A 101 8.577 7.334 -9.938 1.00 47.93 O ATOM 294 NE2 GLN A 101 6.683 6.639 -8.943 1.00 48.24 N ATOM 295 HE22 GLN A 101 6.228 6.262 -8.087 1.00 0.00 H ATOM 296 HE21 GLN A 101 6.116 6.823 -9.795 1.00 0.00 H ATOM 297 H GLN A 101 12.030 7.982 -6.249 1.00 0.00 H ATOM 298 N PRO A 102 12.286 4.061 -7.091 1.00 23.85 N ATOM 299 CA PRO A 102 13.507 3.394 -7.532 1.00 24.62 C ATOM 300 C PRO A 102 14.130 4.042 -8.764 1.00 26.40 C ATOM 301 O PRO A 102 13.415 4.540 -9.643 1.00 25.94 O ATOM 302 CB PRO A 102 13.036 1.969 -7.863 1.00 25.94 C ATOM 303 CG PRO A 102 11.804 1.780 -7.048 1.00 26.53 C ATOM 304 CD PRO A 102 11.155 3.124 -6.973 1.00 26.48 C ATOM 305 N VAL A 103 15.457 4.035 -8.816 1.00 24.66 N ATOM 306 CA VAL A 103 16.187 4.508 -9.983 1.00 24.86 C ATOM 307 C VAL A 103 15.726 3.698 -11.198 1.00 25.39 C ATOM 308 O VAL A 103 15.772 2.475 -11.188 1.00 27.14 O ATOM 309 CB VAL A 103 17.705 4.359 -9.790 1.00 24.25 C ATOM 310 CG1 VAL A 103 18.453 4.748 -11.061 1.00 23.88 C ATOM 311 CG2 VAL A 103 18.175 5.195 -8.600 1.00 23.39 C ATOM 312 H VAL A 103 15.991 3.680 -7.997 1.00 0.00 H ATOM 313 N ASP A 104 15.248 4.397 -12.222 1.00 26.01 N ATOM 314 CA ASP A 104 14.834 3.768 -13.475 1.00 26.92 C ATOM 315 C ASP A 104 15.958 3.980 -14.481 1.00 26.27 C ATOM 316 O ASP A 104 16.064 5.049 -15.094 1.00 26.24 O ATOM 317 CB ASP A 104 13.521 4.396 -13.955 1.00 29.30 C ATOM 318 CG ASP A 104 12.982 3.762 -15.236 1.00 31.31 C ATOM 319 OD1 ASP A 104 13.751 3.118 -15.979 1.00 30.35 O ATOM 320 OD2 ASP A 104 11.776 3.942 -15.503 1.00 32.79 O ATOM 321 H ASP A 104 15.165 5.429 -12.129 1.00 0.00 H ATOM 322 N ALA A 105 16.802 2.960 -14.630 1.00 25.93 N ATOM 323 CA ALA A 105 18.007 3.055 -15.456 1.00 26.95 C ATOM 324 C ALA A 105 17.716 3.284 -16.938 1.00 28.18 C ATOM 325 O ALA A 105 18.532 3.873 -17.638 1.00 30.44 O ATOM 326 CB ALA A 105 18.872 1.810 -15.284 1.00 27.42 C ATOM 327 H ALA A 105 16.598 2.065 -14.142 1.00 0.00 H ATOM 328 N VAL A 106 16.567 2.810 -17.411 1.00 29.37 N ATOM 329 CA VAL A 106 16.164 3.016 -18.808 1.00 30.60 C ATOM 330 C VAL A 106 15.758 4.479 -19.004 1.00 30.34 C ATOM 331 O VAL A 106 16.301 5.169 -19.871 1.00 30.94 O ATOM 332 CB VAL A 106 15.019 2.065 -19.214 1.00 32.65 C ATOM 333 CG1 VAL A 106 14.566 2.325 -20.648 1.00 32.98 C ATOM 334 CG2 VAL A 106 15.455 0.615 -19.057 1.00 33.52 C ATOM 335 H VAL A 106 15.938 2.280 -16.775 1.00 0.00 H ATOM 336 N LYS A 107 14.832 4.948 -18.170 1.00 29.00 N ATOM 337 CA LYS A 107 14.372 6.342 -18.191 1.00 29.81 C ATOM 338 C LYS A 107 15.538 7.328 -18.097 1.00 29.99 C ATOM 339 O LYS A 107 15.599 8.306 -18.849 1.00 29.40 O ATOM 340 CB LYS A 107 13.374 6.581 -17.049 1.00 32.08 C ATOM 341 CG LYS A 107 12.796 7.988 -16.974 1.00 34.21 C ATOM 342 CD LYS A 107 11.707 8.073 -15.916 1.00 36.70 C ATOM 343 CE LYS A 107 11.767 9.382 -15.147 1.00 41.36 C ATOM 344 NZ LYS A 107 10.785 9.407 -14.025 1.00 44.93 N ATOM 345 HZ1 LYS A 107 9.824 9.293 -14.405 1.00 0.00 H ATOM 346 HZ2 LYS A 107 10.993 8.630 -13.366 1.00 0.00 H ATOM 347 HZ3 LYS A 107 10.856 10.316 -13.524 1.00 0.00 H ATOM 348 H LYS A 107 14.416 4.298 -17.473 1.00 0.00 H ATOM 349 N LEU A 108 16.475 7.051 -17.194 1.00 30.01 N ATOM 350 CA LEU A 108 17.595 7.959 -16.945 1.00 31.56 C ATOM 351 C LEU A 108 18.768 7.757 -17.905 1.00 32.21 C ATOM 352 O LEU A 108 19.691 8.575 -17.931 1.00 36.57 O ATOM 353 CB LEU A 108 18.073 7.823 -15.496 1.00 31.24 C ATOM 354 CG LEU A 108 17.066 8.182 -14.400 1.00 33.45 C ATOM 355 CD1 LEU A 108 17.664 7.902 -13.027 1.00 33.60 C ATOM 356 CD2 LEU A 108 16.621 9.633 -14.506 1.00 35.62 C ATOM 357 H LEU A 108 16.410 6.166 -16.651 1.00 0.00 H ATOM 358 N GLY A 109 18.739 6.686 -18.691 1.00 33.26 N ATOM 359 CA GLY A 109 19.808 6.401 -19.652 1.00 34.33 C ATOM 360 C GLY A 109 21.111 6.007 -18.981 1.00 35.75 C ATOM 361 O GLY A 109 22.188 6.485 -19.362 1.00 35.93 O ATOM 362 H GLY A 109 17.934 6.031 -18.622 1.00 0.00 H ATOM 363 N LEU A 110 21.008 5.121 -17.992 1.00 33.40 N ATOM 364 CA LEU A 110 22.147 4.700 -17.176 1.00 33.71 C ATOM 365 C LEU A 110 22.309 3.178 -17.236 1.00 32.88 C ATOM 366 O LEU A 110 22.011 2.479 -16.266 1.00 30.05 O ATOM 367 CB LEU A 110 21.935 5.150 -15.729 1.00 32.71 C ATOM 368 CG LEU A 110 21.652 6.635 -15.500 1.00 32.25 C ATOM 369 CD1 LEU A 110 21.242 6.864 -14.053 1.00 32.68 C ATOM 370 CD2 LEU A 110 22.844 7.501 -15.872 1.00 34.07 C ATOM 371 H LEU A 110 20.074 4.709 -17.790 1.00 0.00 H ATOM 372 N PRO A 111 22.798 2.653 -18.375 1.00 34.47 N ATOM 373 CA PRO A 111 22.818 1.202 -18.571 1.00 34.35 C ATOM 374 C PRO A 111 23.811 0.450 -17.682 1.00 33.41 C ATOM 375 O PRO A 111 23.744 -0.778 -17.598 1.00 36.21 O ATOM 376 CB PRO A 111 23.202 1.056 -20.048 1.00 37.12 C ATOM 377 CG PRO A 111 24.006 2.271 -20.340 1.00 37.28 C ATOM 378 CD PRO A 111 23.394 3.369 -19.518 1.00 36.49 C ATOM 379 N ASP A 112 24.721 1.171 -17.032 1.00 30.89 N ATOM 380 CA ASP A 112 25.647 0.557 -16.080 1.00 30.80 C ATOM 381 C ASP A 112 25.159 0.621 -14.635 1.00 28.64 C ATOM 382 O ASP A 112 25.795 0.048 -13.753 1.00 27.50 O ATOM 383 CB ASP A 112 27.035 1.202 -16.178 1.00 32.51 C ATOM 384 CG ASP A 112 27.036 2.678 -15.803 1.00 34.22 C ATOM 385 OD1 ASP A 112 25.966 3.327 -15.856 1.00 32.77 O ATOM 386 OD2 ASP A 112 28.124 3.195 -15.471 1.00 39.20 O ATOM 387 H ASP A 112 24.775 2.195 -17.205 1.00 0.00 H ATOM 388 N TYR A 113 24.036 1.294 -14.380 1.00 26.29 N ATOM 389 CA TYR A 113 23.622 1.536 -12.988 1.00 24.40 C ATOM 390 C TYR A 113 23.588 0.259 -12.148 1.00 24.41 C ATOM 391 O TYR A 113 24.158 0.204 -11.056 1.00 23.49 O ATOM 392 CB TYR A 113 22.269 2.253 -12.892 1.00 23.34 C ATOM 393 CG TYR A 113 21.960 2.641 -11.463 1.00 22.30 C ATOM 394 CD1 TYR A 113 22.517 3.788 -10.898 1.00 21.03 C ATOM 395 CD2 TYR A 113 21.147 1.850 -10.663 1.00 21.90 C ATOM 396 CE1 TYR A 113 22.254 4.140 -9.582 1.00 19.74 C ATOM 397 CE2 TYR A 113 20.884 2.186 -9.346 1.00 21.15 C ATOM 398 CZ TYR A 113 21.445 3.334 -8.806 1.00 20.84 C ATOM 399 OH TYR A 113 21.186 3.662 -7.492 1.00 20.67 O ATOM 400 HH TYR A 113 21.657 4.502 -7.264 1.00 0.00 H ATOM 401 H TYR A 113 23.453 1.648 -15.165 1.00 0.00 H ATOM 402 N HIS A 114 22.922 -0.768 -12.663 1.00 26.33 N ATOM 403 CA HIS A 114 22.704 -1.992 -11.896 1.00 26.39 C ATOM 404 C HIS A 114 23.904 -2.906 -11.893 1.00 27.52 C ATOM 405 O HIS A 114 23.968 -3.854 -11.113 1.00 27.89 O ATOM 406 CB HIS A 114 21.437 -2.690 -12.385 1.00 27.28 C ATOM 407 CG HIS A 114 20.173 -1.925 -12.054 1.00 26.67 C ATOM 408 ND1 HIS A 114 19.699 -1.832 -10.804 1.00 27.08 N ATOM 409 CD2 HIS A 114 19.310 -1.174 -12.859 1.00 27.16 C ATOM 410 CE1 HIS A 114 18.578 -1.080 -10.799 1.00 27.54 C ATOM 411 NE2 HIS A 114 18.339 -0.680 -12.058 1.00 26.88 N ATOM 412 H HIS A 114 22.548 -0.700 -13.631 1.00 0.00 H ATOM 413 N LYS A 115 24.884 -2.605 -12.736 1.00 27.90 N ATOM 414 CA LYS A 115 26.162 -3.300 -12.704 1.00 28.95 C ATOM 415 C LYS A 115 27.044 -2.777 -11.566 1.00 27.88 C ATOM 416 O LYS A 115 27.889 -3.504 -11.053 1.00 28.92 O ATOM 417 CB LYS A 115 26.869 -3.153 -14.048 1.00 31.21 C ATOM 418 CG LYS A 115 25.973 -3.564 -15.208 1.00 34.03 C ATOM 419 CD LYS A 115 26.724 -3.827 -16.490 1.00 37.00 C ATOM 420 CE LYS A 115 25.763 -4.338 -17.553 1.00 37.35 C ATOM 421 NZ LYS A 115 26.499 -5.025 -18.640 1.00 40.85 N ATOM 422 HZ1 LYS A 115 27.165 -4.359 -19.081 1.00 0.00 H ATOM 423 HZ2 LYS A 115 27.024 -5.832 -18.246 1.00 0.00 H ATOM 424 HZ3 LYS A 115 25.823 -5.365 -19.354 1.00 0.00 H ATOM 425 H LYS A 115 24.735 -1.852 -13.438 1.00 0.00 H ATOM 426 N ILE A 116 26.847 -1.517 -11.184 1.00 24.21 N ATOM 427 CA ILE A 116 27.641 -0.882 -10.124 1.00 23.67 C ATOM 428 C ILE A 116 26.913 -0.926 -8.776 1.00 22.98 C ATOM 429 O ILE A 116 27.526 -1.171 -7.731 1.00 23.89 O ATOM 430 CB ILE A 116 27.969 0.576 -10.510 1.00 24.10 C ATOM 431 CG1 ILE A 116 28.943 0.584 -11.688 1.00 25.54 C ATOM 432 CG2 ILE A 116 28.564 1.349 -9.338 1.00 23.28 C ATOM 433 CD1 ILE A 116 29.094 1.936 -12.332 1.00 28.81 C ATOM 434 H ILE A 116 26.103 -0.962 -11.653 1.00 0.00 H ATOM 435 N ILE A 117 25.604 -0.694 -8.806 1.00 21.60 N ATOM 436 CA ILE A 117 24.781 -0.667 -7.601 1.00 21.65 C ATOM 437 C ILE A 117 23.977 -1.964 -7.499 1.00 23.27 C ATOM 438 O ILE A 117 23.000 -2.168 -8.225 1.00 24.48 O ATOM 439 CB ILE A 117 23.836 0.550 -7.608 1.00 21.28 C ATOM 440 CG1 ILE A 117 24.642 1.852 -7.624 1.00 20.92 C ATOM 441 CG2 ILE A 117 22.867 0.505 -6.427 1.00 20.30 C ATOM 442 CD1 ILE A 117 25.611 2.005 -6.471 1.00 20.99 C ATOM 443 H ILE A 117 25.148 -0.525 -9.725 1.00 0.00 H ATOM 444 N LYS A 118 24.386 -2.824 -6.574 1.00 24.36 N ATOM 445 CA LYS A 118 23.783 -4.153 -6.428 1.00 27.47 C ATOM 446 C LYS A 118 22.605 -4.216 -5.468 1.00 26.28 C ATOM 447 O LYS A 118 21.843 -5.184 -5.502 1.00 25.70 O ATOM 448 CB LYS A 118 24.848 -5.169 -6.015 1.00 30.71 C ATOM 449 CG LYS A 118 25.989 -5.291 -7.009 1.00 33.77 C ATOM 450 CD LYS A 118 25.433 -5.350 -8.422 1.00 36.82 C ATOM 451 CE LYS A 118 26.342 -6.040 -9.408 1.00 38.26 C ATOM 452 NZ LYS A 118 25.603 -6.197 -10.691 1.00 38.70 N ATOM 453 HZ1 LYS A 118 24.749 -6.769 -10.530 1.00 0.00 H ATOM 454 HZ2 LYS A 118 25.331 -5.260 -11.050 1.00 0.00 H ATOM 455 HZ3 LYS A 118 26.214 -6.672 -11.386 1.00 0.00 H ATOM 456 H LYS A 118 25.157 -2.547 -5.934 1.00 0.00 H ATOM 457 N GLN A 119 22.451 -3.205 -4.616 1.00 23.62 N ATOM 458 CA GLN A 119 21.282 -3.123 -3.733 1.00 23.95 C ATOM 459 C GLN A 119 20.605 -1.763 -3.866 1.00 23.66 C ATOM 460 O GLN A 119 20.818 -0.876 -3.025 1.00 23.11 O ATOM 461 CB GLN A 119 21.667 -3.370 -2.274 1.00 27.06 C ATOM 462 CG GLN A 119 20.462 -3.559 -1.369 1.00 30.78 C ATOM 463 CD GLN A 119 20.809 -3.628 0.109 1.00 33.92 C ATOM 464 OE1 GLN A 119 19.929 -3.472 0.953 1.00 35.59 O ATOM 465 NE2 GLN A 119 22.090 -3.876 0.429 1.00 33.77 N ATOM 466 HE22 GLN A 119 22.799 -4.001 -0.322 1.00 0.00 H ATOM 467 HE21 GLN A 119 22.373 -3.943 1.428 1.00 0.00 H ATOM 468 H GLN A 119 23.174 -2.458 -4.575 1.00 0.00 H ATOM 469 N PRO A 120 19.757 -1.602 -4.897 1.00 22.23 N ATOM 470 CA PRO A 120 19.048 -0.332 -5.042 1.00 21.00 C ATOM 471 C PRO A 120 18.138 -0.057 -3.846 1.00 21.28 C ATOM 472 O PRO A 120 17.611 -0.990 -3.246 1.00 21.36 O ATOM 473 CB PRO A 120 18.212 -0.530 -6.317 1.00 21.73 C ATOM 474 CG PRO A 120 18.807 -1.710 -7.015 1.00 23.62 C ATOM 475 CD PRO A 120 19.330 -2.581 -5.912 1.00 23.02 C ATOM 476 N MET A 121 17.978 1.211 -3.495 1.00 19.25 N ATOM 477 CA MET A 121 17.064 1.607 -2.437 1.00 19.88 C ATOM 478 C MET A 121 16.600 3.035 -2.688 1.00 19.86 C ATOM 479 O MET A 121 17.313 3.831 -3.298 1.00 19.93 O ATOM 480 CB MET A 121 17.729 1.472 -1.059 1.00 20.43 C ATOM 481 CG MET A 121 16.819 1.668 0.141 1.00 22.11 C ATOM 482 SD MET A 121 15.282 0.725 0.159 1.00 23.75 S ATOM 483 CE MET A 121 15.859 -0.969 0.075 1.00 22.93 C ATOM 484 H MET A 121 18.523 1.945 -3.992 1.00 0.00 H ATOM 485 N ASP A 122 15.394 3.329 -2.222 1.00 20.40 N ATOM 486 CA ASP A 122 14.749 4.620 -2.452 1.00 21.23 C ATOM 487 C ASP A 122 13.739 4.887 -1.339 1.00 21.17 C ATOM 488 O ASP A 122 13.358 3.974 -0.618 1.00 22.25 O ATOM 489 CB ASP A 122 14.034 4.614 -3.797 1.00 22.25 C ATOM 490 CG ASP A 122 12.864 3.653 -3.818 1.00 24.14 C ATOM 491 OD1 ASP A 122 13.101 2.432 -3.959 1.00 23.91 O ATOM 492 OD2 ASP A 122 11.717 4.121 -3.659 1.00 24.06 O ATOM 493 H ASP A 122 14.885 2.610 -1.669 1.00 0.00 H ATOM 494 N MET A 123 13.296 6.133 -1.211 1.00 21.66 N ATOM 495 CA MET A 123 12.426 6.507 -0.097 1.00 23.41 C ATOM 496 C MET A 123 10.998 5.991 -0.242 1.00 24.18 C ATOM 497 O MET A 123 10.296 5.843 0.755 1.00 25.76 O ATOM 498 CB MET A 123 12.412 8.022 0.090 1.00 23.98 C ATOM 499 CG MET A 123 13.730 8.575 0.594 1.00 24.88 C ATOM 500 SD MET A 123 13.540 10.095 1.536 1.00 26.07 S ATOM 501 CE MET A 123 12.551 10.980 -0.128 1.00 15.54 C ATOM 502 H MET A 123 13.571 6.851 -1.911 1.00 0.00 H ATOM 503 N GLY A 124 10.559 5.736 -1.472 1.00 24.18 N ATOM 504 CA GLY A 124 9.228 5.153 -1.699 1.00 25.59 C ATOM 505 C GLY A 124 9.163 3.763 -1.091 1.00 26.12 C ATOM 506 O GLY A 124 8.206 3.416 -0.379 1.00 27.63 O ATOM 507 H GLY A 124 11.168 5.953 -2.287 1.00 0.00 H ATOM 508 N THR A 125 10.213 2.986 -1.349 1.00 24.97 N ATOM 509 CA THR A 125 10.355 1.643 -0.797 1.00 25.84 C ATOM 510 C THR A 125 10.425 1.661 0.737 1.00 26.41 C ATOM 511 O THR A 125 9.774 0.853 1.393 1.00 27.46 O ATOM 512 CB THR A 125 11.583 0.936 -1.394 1.00 26.12 C ATOM 513 OG1 THR A 125 11.391 0.782 -2.807 1.00 25.50 O ATOM 514 CG2 THR A 125 11.804 -0.434 -0.748 1.00 25.96 C ATOM 515 HG1 THR A 125 11.283 1.674 -3.223 1.00 0.00 H ATOM 516 H THR A 125 10.963 3.352 -1.970 1.00 0.00 H ATOM 517 N ILE A 126 11.184 2.600 1.303 1.00 24.63 N ATOM 518 CA ILE A 126 11.311 2.706 2.757 1.00 24.78 C ATOM 519 C ILE A 126 9.976 3.121 3.382 1.00 27.04 C ATOM 520 O ILE A 126 9.576 2.571 4.411 1.00 28.22 O ATOM 521 CB ILE A 126 12.423 3.690 3.180 1.00 23.77 C ATOM 522 CG1 ILE A 126 13.789 3.214 2.664 1.00 23.20 C ATOM 523 CG2 ILE A 126 12.473 3.814 4.701 1.00 23.68 C ATOM 524 CD1 ILE A 126 14.901 4.241 2.798 1.00 23.41 C ATOM 525 H ILE A 126 11.697 3.272 0.698 1.00 0.00 H ATOM 526 N LYS A 127 9.300 4.079 2.745 1.00 29.11 N ATOM 527 CA LYS A 127 8.007 4.584 3.202 1.00 30.50 C ATOM 528 C LYS A 127 6.963 3.469 3.220 1.00 31.91 C ATOM 529 O LYS A 127 6.255 3.308 4.212 1.00 32.87 O ATOM 530 CB LYS A 127 7.541 5.748 2.310 1.00 32.56 C ATOM 531 CG LYS A 127 6.188 6.353 2.676 1.00 35.53 C ATOM 532 CD LYS A 127 5.952 7.667 1.940 1.00 37.12 C ATOM 533 CE LYS A 127 4.516 8.153 2.085 1.00 41.73 C ATOM 534 NZ LYS A 127 4.420 9.636 1.993 1.00 44.04 N ATOM 535 HZ1 LYS A 127 4.988 10.067 2.750 1.00 0.00 H ATOM 536 HZ2 LYS A 127 4.779 9.949 1.068 1.00 0.00 H ATOM 537 HZ3 LYS A 127 3.426 9.925 2.097 1.00 0.00 H ATOM 538 H LYS A 127 9.713 4.486 1.882 1.00 0.00 H ATOM 539 N ARG A 128 6.883 2.703 2.132 1.00 33.12 N ATOM 540 CA ARG A 128 5.962 1.564 2.046 1.00 36.31 C ATOM 541 C ARG A 128 6.266 0.523 3.125 1.00 36.56 C ATOM 542 O ARG A 128 5.348 -0.035 3.735 1.00 37.43 O ATOM 543 CB ARG A 128 6.021 0.919 0.656 1.00 38.95 C ATOM 544 CG ARG A 128 5.094 -0.275 0.479 1.00 44.05 C ATOM 545 CD ARG A 128 5.040 -0.762 -0.962 1.00 47.69 C ATOM 546 NE ARG A 128 6.246 -1.499 -1.349 1.00 51.72 N ATOM 547 CZ ARG A 128 7.296 -0.985 -1.992 1.00 52.00 C ATOM 548 NH1 ARG A 128 7.328 0.297 -2.350 1.00 54.21 N ATOM 549 NH2 ARG A 128 8.330 -1.766 -2.285 1.00 52.69 N ATOM 550 HE ARG A 128 6.287 -2.508 -1.101 1.00 0.00 H ATOM 551 HH12 ARG A 128 8.157 0.677 -2.851 1.00 0.00 H ATOM 552 HH11 ARG A 128 6.524 0.919 -2.129 1.00 0.00 H ATOM 553 HH22 ARG A 128 9.153 -1.374 -2.786 1.00 0.00 H ATOM 554 HH21 ARG A 128 8.317 -2.770 -2.013 1.00 0.00 H ATOM 555 H ARG A 128 7.493 2.920 1.318 1.00 0.00 H ATOM 556 N ARG A 129 7.552 0.266 3.351 1.00 34.75 N ATOM 557 CA ARG A 129 7.989 -0.659 4.395 1.00 34.23 C ATOM 558 C ARG A 129 7.566 -0.199 5.792 1.00 35.61 C ATOM 559 O ARG A 129 7.110 -1.011 6.601 1.00 37.33 O ATOM 560 CB ARG A 129 9.502 -0.876 4.322 1.00 33.01 C ATOM 561 CG ARG A 129 9.901 -1.800 3.182 1.00 32.61 C ATOM 562 CD ARG A 129 11.407 -1.893 2.992 1.00 32.85 C ATOM 563 NE ARG A 129 11.720 -2.799 1.894 1.00 32.11 N ATOM 564 CZ ARG A 129 12.925 -3.301 1.630 1.00 32.95 C ATOM 565 NH1 ARG A 129 13.980 -3.001 2.381 1.00 32.08 N ATOM 566 NH2 ARG A 129 13.070 -4.129 0.603 1.00 35.75 N ATOM 567 HE ARG A 129 10.939 -3.076 1.266 1.00 0.00 H ATOM 568 HH12 ARG A 129 14.911 -3.405 2.155 1.00 0.00 H ATOM 569 HH11 ARG A 129 13.874 -2.362 3.195 1.00 0.00 H ATOM 570 HH22 ARG A 129 14.005 -4.529 0.385 1.00 0.00 H ATOM 571 HH21 ARG A 129 12.248 -4.378 0.016 1.00 0.00 H ATOM 572 H ARG A 129 8.270 0.739 2.766 1.00 0.00 H ATOM 573 N LEU A 130 7.701 1.098 6.063 1.00 35.24 N ATOM 574 CA LEU A 130 7.255 1.673 7.336 1.00 35.50 C ATOM 575 C LEU A 130 5.739 1.561 7.491 1.00 37.81 C ATOM 576 O LEU A 130 5.247 1.156 8.546 1.00 41.06 O ATOM 577 CB LEU A 130 7.689 3.136 7.452 1.00 34.71 C ATOM 578 CG LEU A 130 9.194 3.344 7.648 1.00 33.68 C ATOM 579 CD1 LEU A 130 9.586 4.781 7.339 1.00 33.02 C ATOM 580 CD2 LEU A 130 9.603 2.952 9.065 1.00 34.03 C ATOM 581 H LEU A 130 8.135 1.720 5.352 1.00 0.00 H ATOM 582 N GLU A 131 5.011 1.913 6.436 1.00 37.69 N ATOM 583 CA GLU A 131 3.547 1.827 6.425 1.00 39.62 C ATOM 584 C GLU A 131 3.039 0.394 6.631 1.00 42.07 C ATOM 585 O GLU A 131 2.020 0.184 7.296 1.00 43.24 O ATOM 586 CB GLU A 131 2.992 2.385 5.108 1.00 38.77 C ATOM 587 CG GLU A 131 3.085 3.900 4.979 1.00 39.04 C ATOM 588 CD GLU A 131 2.867 4.401 3.559 1.00 40.24 C ATOM 589 OE1 GLU A 131 2.673 3.577 2.644 1.00 44.02 O ATOM 590 OE2 GLU A 131 2.896 5.630 3.351 1.00 40.89 O ATOM 591 H GLU A 131 5.498 2.263 5.586 1.00 0.00 H ATOM 592 N ASN A 132 3.750 -0.580 6.062 1.00 41.56 N ATOM 593 CA ASN A 132 3.340 -1.987 6.103 1.00 44.07 C ATOM 594 C ASN A 132 3.981 -2.813 7.228 1.00 42.32 C ATOM 595 O ASN A 132 3.887 -4.041 7.221 1.00 43.04 O ATOM 596 CB ASN A 132 3.633 -2.650 4.751 1.00 47.33 C ATOM 597 CG ASN A 132 2.850 -2.028 3.609 1.00 50.40 C ATOM 598 OD1 ASN A 132 1.893 -1.286 3.826 1.00 56.64 O ATOM 599 ND2 ASN A 132 3.253 -2.334 2.382 1.00 52.81 N ATOM 600 HD22 ASN A 132 4.068 -2.966 2.245 1.00 0.00 H ATOM 601 HD21 ASN A 132 2.754 -1.942 1.558 1.00 0.00 H ATOM 602 H ASN A 132 4.631 -0.331 5.569 1.00 0.00 H ATOM 603 N ASN A 133 4.618 -2.147 8.191 1.00 41.34 N ATOM 604 CA ASN A 133 5.285 -2.820 9.316 1.00 42.60 C ATOM 605 C ASN A 133 6.256 -3.923 8.871 1.00 42.33 C ATOM 606 O ASN A 133 6.256 -5.035 9.411 1.00 41.68 O ATOM 607 CB ASN A 133 4.248 -3.369 10.308 1.00 44.94 C ATOM 608 CG ASN A 133 3.366 -2.281 10.895 1.00 46.89 C ATOM 609 OD1 ASN A 133 3.817 -1.161 11.140 1.00 47.23 O ATOM 610 ND2 ASN A 133 2.100 -2.610 11.129 1.00 50.97 N ATOM 611 HD22 ASN A 133 1.762 -3.568 10.907 1.00 0.00 H ATOM 612 HD21 ASN A 133 1.447 -1.909 11.535 1.00 0.00 H ATOM 613 H ASN A 133 4.644 -1.108 8.145 1.00 0.00 H ATOM 614 N TYR A 134 7.086 -3.592 7.884 1.00 39.72 N ATOM 615 CA TYR A 134 8.090 -4.512 7.343 1.00 38.41 C ATOM 616 C TYR A 134 9.267 -4.698 8.304 1.00 36.41 C ATOM 617 O TYR A 134 9.772 -5.813 8.482 1.00 35.99 O ATOM 618 CB TYR A 134 8.601 -3.975 5.998 1.00 41.08 C ATOM 619 CG TYR A 134 9.661 -4.825 5.333 1.00 42.39 C ATOM 620 CD1 TYR A 134 9.309 -5.943 4.586 1.00 46.59 C ATOM 621 CD2 TYR A 134 11.014 -4.507 5.443 1.00 42.63 C ATOM 622 CE1 TYR A 134 10.270 -6.727 3.974 1.00 46.75 C ATOM 623 CE2 TYR A 134 11.984 -5.285 4.832 1.00 44.03 C ATOM 624 CZ TYR A 134 11.605 -6.395 4.100 1.00 45.99 C ATOM 625 OH TYR A 134 12.547 -7.185 3.486 1.00 48.72 O ATOM 626 HH TYR A 134 13.060 -6.641 2.837 1.00 0.00 H ATOM 627 H TYR A 134 7.019 -2.637 7.478 1.00 0.00 H ATOM 628 N TYR A 135 9.701 -3.600 8.915 1.00 34.34 N ATOM 629 CA TYR A 135 10.907 -3.591 9.736 1.00 34.38 C ATOM 630 C TYR A 135 10.694 -4.210 11.117 1.00 37.62 C ATOM 631 O TYR A 135 9.648 -4.010 11.740 1.00 34.45 O ATOM 632 CB TYR A 135 11.410 -2.158 9.904 1.00 33.64 C ATOM 633 CG TYR A 135 11.836 -1.497 8.613 1.00 32.86 C ATOM 634 CD1 TYR A 135 12.919 -1.983 7.886 1.00 34.28 C ATOM 635 CD2 TYR A 135 11.179 -0.364 8.134 1.00 33.66 C ATOM 636 CE1 TYR A 135 13.323 -1.372 6.711 1.00 32.15 C ATOM 637 CE2 TYR A 135 11.574 0.254 6.958 1.00 32.16 C ATOM 638 CZ TYR A 135 12.647 -0.250 6.252 1.00 31.65 C ATOM 639 OH TYR A 135 13.041 0.371 5.086 1.00 29.72 O ATOM 640 HH TYR A 135 13.818 -0.109 4.704 1.00 0.00 H ATOM 641 H TYR A 135 9.162 -2.717 8.804 1.00 0.00 H ATOM 642 N TRP A 136 11.703 -4.946 11.585 1.00 39.99 N ATOM 643 CA TRP A 136 11.712 -5.523 12.930 1.00 43.69 C ATOM 644 C TRP A 136 12.461 -4.662 13.917 1.00 44.84 C ATOM 645 O TRP A 136 12.146 -4.663 15.109 1.00 45.58 O ATOM 646 CB TRP A 136 12.310 -6.928 12.904 1.00 44.13 C ATOM 647 CG TRP A 136 11.502 -7.933 12.110 1.00 45.87 C ATOM 648 CD1 TRP A 136 10.234 -7.766 11.557 1.00 47.82 C ATOM 649 CD2 TRP A 136 11.869 -9.322 11.792 1.00 49.45 C ATOM 650 NE1 TRP A 136 9.821 -8.907 10.921 1.00 48.70 N ATOM 651 CE2 TRP A 136 10.750 -9.877 11.028 1.00 49.96 C ATOM 652 CE3 TRP A 136 12.976 -10.123 12.042 1.00 50.23 C ATOM 653 CZ2 TRP A 136 10.760 -11.177 10.549 1.00 51.13 C ATOM 654 CZ3 TRP A 136 12.973 -11.435 11.554 1.00 51.60 C ATOM 655 CH2 TRP A 136 11.889 -11.947 10.828 1.00 50.75 C ATOM 656 HE1 TRP A 136 8.914 -9.010 10.423 1.00 0.00 H ATOM 657 H TRP A 136 12.521 -5.118 10.966 1.00 0.00 H ATOM 658 N ALA A 137 13.458 -3.924 13.432 1.00 41.30 N ATOM 659 CA ALA A 137 14.241 -3.013 14.264 1.00 39.95 C ATOM 660 C ALA A 137 14.408 -1.679 13.553 1.00 38.77 C ATOM 661 O ALA A 137 14.403 -1.625 12.327 1.00 37.79 O ATOM 662 CB ALA A 137 15.606 -3.611 14.557 1.00 39.11 C ATOM 663 H ALA A 137 13.688 -3.999 12.421 1.00 0.00 H ATOM 664 N ALA A 138 14.573 -0.612 14.330 1.00 38.53 N ATOM 665 CA ALA A 138 14.847 0.718 13.775 1.00 37.57 C ATOM 666 C ALA A 138 16.141 0.751 12.956 1.00 36.87 C ATOM 667 O ALA A 138 16.213 1.431 11.926 1.00 35.14 O ATOM 668 CB ALA A 138 14.912 1.748 14.887 1.00 39.09 C ATOM 669 H ALA A 138 14.506 -0.724 15.362 1.00 0.00 H ATOM 670 N SER A 139 17.155 0.017 13.412 1.00 36.29 N ATOM 671 CA SER A 139 18.438 -0.045 12.715 1.00 35.16 C ATOM 672 C SER A 139 18.293 -0.549 11.274 1.00 33.72 C ATOM 673 O SER A 139 19.018 -0.099 10.391 1.00 31.98 O ATOM 674 CB SER A 139 19.435 -0.919 13.488 1.00 35.91 C ATOM 675 OG SER A 139 19.093 -2.291 13.408 1.00 36.33 O ATOM 676 HG SER A 139 19.095 -2.576 12.460 1.00 0.00 H ATOM 677 H SER A 139 17.030 -0.528 14.289 1.00 0.00 H ATOM 678 N GLU A 140 17.349 -1.461 11.040 1.00 33.54 N ATOM 679 CA GLU A 140 17.083 -1.981 9.687 1.00 34.01 C ATOM 680 C GLU A 140 16.609 -0.886 8.713 1.00 32.02 C ATOM 681 O GLU A 140 17.089 -0.798 7.583 1.00 29.86 O ATOM 682 CB GLU A 140 16.049 -3.112 9.726 1.00 36.79 C ATOM 683 CG GLU A 140 16.537 -4.380 10.406 1.00 39.96 C ATOM 684 CD GLU A 140 15.422 -5.367 10.720 1.00 43.00 C ATOM 685 OE1 GLU A 140 14.249 -5.102 10.363 1.00 39.23 O ATOM 686 OE2 GLU A 140 15.730 -6.416 11.333 1.00 44.48 O ATOM 687 H GLU A 140 16.783 -1.816 11.837 1.00 0.00 H ATOM 688 N CYS A 141 15.662 -0.070 9.163 1.00 29.11 N ATOM 689 CA CYS A 141 15.218 1.105 8.410 1.00 26.93 C ATOM 690 C CYS A 141 16.365 2.091 8.198 1.00 25.92 C ATOM 691 O CYS A 141 16.562 2.606 7.094 1.00 24.20 O ATOM 692 CB CYS A 141 14.063 1.785 9.149 1.00 27.86 C ATOM 693 SG CYS A 141 13.502 3.341 8.436 1.00 27.56 S ATOM 694 H CYS A 141 15.220 -0.273 10.082 1.00 0.00 H ATOM 695 N MET A 142 17.144 2.330 9.251 1.00 25.87 N ATOM 696 CA MET A 142 18.297 3.218 9.156 1.00 25.82 C ATOM 697 C MET A 142 19.310 2.730 8.121 1.00 23.99 C ATOM 698 O MET A 142 19.869 3.541 7.385 1.00 21.61 O ATOM 699 CB MET A 142 18.967 3.391 10.526 1.00 27.84 C ATOM 700 CG MET A 142 18.117 4.184 11.504 1.00 29.34 C ATOM 701 SD MET A 142 18.699 4.036 13.199 1.00 32.42 S ATOM 702 CE MET A 142 20.342 4.737 13.064 1.00 29.44 C ATOM 703 H MET A 142 16.926 1.874 10.160 1.00 0.00 H ATOM 704 N GLN A 143 19.536 1.416 8.045 1.00 23.39 N ATOM 705 CA GLN A 143 20.439 0.878 7.013 1.00 24.44 C ATOM 706 C GLN A 143 19.904 1.116 5.602 1.00 22.58 C ATOM 707 O GLN A 143 20.692 1.374 4.692 1.00 23.03 O ATOM 708 CB GLN A 143 20.730 -0.623 7.202 1.00 26.91 C ATOM 709 CG GLN A 143 21.358 -1.031 8.533 1.00 29.90 C ATOM 710 CD GLN A 143 22.662 -0.337 8.875 1.00 32.18 C ATOM 711 OE1 GLN A 143 23.327 0.231 8.013 1.00 33.08 O ATOM 712 NE2 GLN A 143 23.047 -0.400 10.160 1.00 31.79 N ATOM 713 HE22 GLN A 143 22.453 -0.892 10.857 1.00 0.00 H ATOM 714 HE21 GLN A 143 23.940 0.043 10.458 1.00 0.00 H ATOM 715 H GLN A 143 19.073 0.771 8.716 1.00 0.00 H ATOM 716 N ASP A 144 18.585 1.034 5.413 1.00 22.52 N ATOM 717 CA ASP A 144 17.981 1.299 4.096 1.00 22.73 C ATOM 718 C ASP A 144 18.202 2.755 3.671 1.00 21.86 C ATOM 719 O ASP A 144 18.586 3.015 2.527 1.00 20.69 O ATOM 720 CB ASP A 144 16.478 0.977 4.075 1.00 23.80 C ATOM 721 CG ASP A 144 16.177 -0.517 3.900 1.00 24.99 C ATOM 722 OD1 ASP A 144 17.082 -1.317 3.589 1.00 23.32 O ATOM 723 OD2 ASP A 144 14.998 -0.887 4.073 1.00 27.30 O ATOM 724 H ASP A 144 17.971 0.778 6.212 1.00 0.00 H ATOM 725 N PHE A 145 17.960 3.700 4.579 1.00 21.77 N ATOM 726 CA PHE A 145 18.302 5.107 4.322 1.00 21.62 C ATOM 727 C PHE A 145 19.770 5.249 3.931 1.00 20.53 C ATOM 728 O PHE A 145 20.099 5.872 2.921 1.00 20.94 O ATOM 729 CB PHE A 145 18.024 5.990 5.544 1.00 22.18 C ATOM 730 CG PHE A 145 16.611 6.485 5.635 1.00 23.19 C ATOM 731 CD1 PHE A 145 16.146 7.463 4.756 1.00 24.30 C ATOM 732 CD2 PHE A 145 15.748 5.997 6.611 1.00 23.68 C ATOM 733 CE1 PHE A 145 14.842 7.932 4.844 1.00 25.37 C ATOM 734 CE2 PHE A 145 14.447 6.469 6.704 1.00 24.49 C ATOM 735 CZ PHE A 145 13.996 7.435 5.818 1.00 24.15 C ATOM 736 H PHE A 145 17.522 3.438 5.485 1.00 0.00 H ATOM 737 N ASN A 146 20.651 4.654 4.735 1.00 19.35 N ATOM 738 CA ASN A 146 22.086 4.701 4.470 1.00 20.75 C ATOM 739 C ASN A 146 22.449 4.132 3.104 1.00 20.33 C ATOM 740 O ASN A 146 23.223 4.736 2.363 1.00 19.70 O ATOM 741 CB ASN A 146 22.845 3.948 5.557 1.00 21.67 C ATOM 742 CG ASN A 146 24.338 4.077 5.397 1.00 22.71 C ATOM 743 OD1 ASN A 146 24.904 5.138 5.654 1.00 24.86 O ATOM 744 ND2 ASN A 146 24.978 3.013 4.958 1.00 22.95 N ATOM 745 HD22 ASN A 146 24.454 2.138 4.755 1.00 0.00 H ATOM 746 HD21 ASN A 146 26.007 3.048 4.815 1.00 0.00 H ATOM 747 H ASN A 146 20.307 4.143 5.573 1.00 0.00 H ATOM 748 N THR A 147 21.869 2.984 2.760 1.00 19.78 N ATOM 749 CA THR A 147 22.115 2.358 1.458 1.00 19.87 C ATOM 750 C THR A 147 21.695 3.282 0.314 1.00 18.70 C ATOM 751 O THR A 147 22.412 3.405 -0.671 1.00 17.07 O ATOM 752 CB THR A 147 21.386 1.005 1.340 1.00 20.36 C ATOM 753 OG1 THR A 147 21.971 0.079 2.269 1.00 20.48 O ATOM 754 CG2 THR A 147 21.493 0.433 -0.085 1.00 20.96 C ATOM 755 HG1 THR A 147 22.931 -0.038 2.057 1.00 0.00 H ATOM 756 H THR A 147 21.225 2.520 3.432 1.00 0.00 H ATOM 757 N MET A 148 20.542 3.929 0.457 1.00 18.94 N ATOM 758 CA MET A 148 20.059 4.858 -0.567 1.00 18.97 C ATOM 759 C MET A 148 21.089 5.970 -0.808 1.00 18.77 C ATOM 760 O MET A 148 21.439 6.267 -1.958 1.00 18.36 O ATOM 761 CB MET A 148 18.703 5.437 -0.162 1.00 19.56 C ATOM 762 CG MET A 148 18.147 6.493 -1.107 1.00 19.09 C ATOM 763 SD MET A 148 16.611 7.176 -0.480 1.00 20.52 S ATOM 764 CE MET A 148 17.200 8.256 0.831 1.00 21.91 C ATOM 765 H MET A 148 19.972 3.772 1.313 1.00 0.00 H ATOM 766 N PHE A 149 21.587 6.577 0.265 1.00 19.00 N ATOM 767 CA PHE A 149 22.524 7.697 0.109 1.00 18.80 C ATOM 768 C PHE A 149 23.865 7.194 -0.414 1.00 18.00 C ATOM 769 O PHE A 149 24.456 7.781 -1.311 1.00 19.65 O ATOM 770 CB PHE A 149 22.711 8.448 1.426 1.00 20.00 C ATOM 771 CG PHE A 149 21.471 9.146 1.907 1.00 21.14 C ATOM 772 CD1 PHE A 149 20.792 10.042 1.084 1.00 21.21 C ATOM 773 CD2 PHE A 149 20.979 8.906 3.178 1.00 22.61 C ATOM 774 CE1 PHE A 149 19.652 10.681 1.524 1.00 23.24 C ATOM 775 CE2 PHE A 149 19.843 9.555 3.627 1.00 23.39 C ATOM 776 CZ PHE A 149 19.178 10.440 2.797 1.00 22.84 C ATOM 777 H PHE A 149 21.313 6.258 1.216 1.00 0.00 H ATOM 778 N THR A 150 24.336 6.090 0.154 1.00 18.48 N ATOM 779 CA THR A 150 25.625 5.530 -0.230 1.00 18.67 C ATOM 780 C THR A 150 25.658 5.133 -1.710 1.00 17.89 C ATOM 781 O THR A 150 26.648 5.409 -2.392 1.00 17.43 O ATOM 782 CB THR A 150 26.010 4.363 0.709 1.00 20.05 C ATOM 783 OG1 THR A 150 26.175 4.872 2.040 1.00 21.11 O ATOM 784 CG2 THR A 150 27.299 3.700 0.258 1.00 21.24 C ATOM 785 HG1 THR A 150 25.326 5.280 2.344 1.00 0.00 H ATOM 786 H THR A 150 23.773 5.615 0.888 1.00 0.00 H ATOM 787 N ASN A 151 24.580 4.525 -2.217 1.00 18.92 N ATOM 788 CA ASN A 151 24.470 4.209 -3.654 1.00 18.27 C ATOM 789 C ASN A 151 24.692 5.450 -4.522 1.00 18.06 C ATOM 790 O ASN A 151 25.374 5.407 -5.545 1.00 18.27 O ATOM 791 CB ASN A 151 23.081 3.637 -3.995 1.00 18.97 C ATOM 792 CG ASN A 151 22.857 2.229 -3.469 1.00 19.78 C ATOM 793 OD1 ASN A 151 23.778 1.541 -3.006 1.00 19.46 O ATOM 794 ND2 ASN A 151 21.590 1.791 -3.526 1.00 19.27 N ATOM 795 HD22 ASN A 151 20.846 2.401 -3.922 1.00 0.00 H ATOM 796 HD21 ASN A 151 21.352 0.842 -3.174 1.00 0.00 H ATOM 797 H ASN A 151 23.798 4.268 -1.581 1.00 0.00 H ATOM 798 N CYS A 152 24.092 6.559 -4.107 1.00 17.78 N ATOM 799 CA CYS A 152 24.201 7.819 -4.832 1.00 18.06 C ATOM 800 C CYS A 152 25.652 8.331 -4.869 1.00 17.23 C ATOM 801 O CYS A 152 26.172 8.691 -5.935 1.00 17.94 O ATOM 802 CB CYS A 152 23.254 8.836 -4.202 1.00 19.01 C ATOM 803 SG CYS A 152 23.249 10.443 -5.011 1.00 21.12 S ATOM 804 H CYS A 152 23.525 6.528 -3.236 1.00 0.00 H ATOM 805 N TYR A 153 26.325 8.310 -3.725 1.00 17.65 N ATOM 806 CA TYR A 153 27.728 8.730 -3.663 1.00 18.60 C ATOM 807 C TYR A 153 28.653 7.828 -4.481 1.00 18.42 C ATOM 808 O TYR A 153 29.600 8.304 -5.113 1.00 19.23 O ATOM 809 CB TYR A 153 28.217 8.776 -2.211 1.00 19.05 C ATOM 810 CG TYR A 153 27.379 9.615 -1.288 1.00 19.16 C ATOM 811 CD1 TYR A 153 26.918 10.880 -1.674 1.00 21.05 C ATOM 812 CD2 TYR A 153 27.066 9.167 -0.020 1.00 19.94 C ATOM 813 CE1 TYR A 153 26.156 11.645 -0.819 1.00 20.70 C ATOM 814 CE2 TYR A 153 26.313 9.928 0.849 1.00 20.59 C ATOM 815 CZ TYR A 153 25.845 11.165 0.438 1.00 21.39 C ATOM 816 OH TYR A 153 25.080 11.920 1.304 1.00 23.08 O ATOM 817 HH TYR A 153 25.604 12.114 2.121 1.00 0.00 H ATOM 818 H TYR A 153 25.849 7.990 -2.858 1.00 0.00 H ATOM 819 N ILE A 154 28.389 6.523 -4.465 1.00 18.80 N ATOM 820 CA ILE A 154 29.232 5.551 -5.177 1.00 19.41 C ATOM 821 C ILE A 154 29.059 5.660 -6.696 1.00 19.02 C ATOM 822 O ILE A 154 30.048 5.687 -7.444 1.00 20.46 O ATOM 823 CB ILE A 154 28.936 4.106 -4.685 1.00 19.86 C ATOM 824 CG1 ILE A 154 29.531 3.900 -3.284 1.00 20.80 C ATOM 825 CG2 ILE A 154 29.489 3.072 -5.647 1.00 21.45 C ATOM 826 CD1 ILE A 154 29.070 2.628 -2.602 1.00 22.09 C ATOM 827 H ILE A 154 27.563 6.181 -3.934 1.00 0.00 H ATOM 828 N TYR A 155 27.811 5.752 -7.155 1.00 19.10 N ATOM 829 CA TYR A 155 27.523 5.735 -8.589 1.00 19.62 C ATOM 830 C TYR A 155 27.876 7.044 -9.308 1.00 20.67 C ATOM 831 O TYR A 155 28.519 7.041 -10.366 1.00 20.26 O ATOM 832 CB TYR A 155 26.054 5.369 -8.871 1.00 20.68 C ATOM 833 CG TYR A 155 25.791 5.391 -10.358 1.00 20.57 C ATOM 834 CD1 TYR A 155 26.245 4.361 -11.173 1.00 21.62 C ATOM 835 CD2 TYR A 155 25.149 6.467 -10.957 1.00 21.64 C ATOM 836 CE1 TYR A 155 26.057 4.392 -12.545 1.00 23.40 C ATOM 837 CE2 TYR A 155 24.956 6.511 -12.328 1.00 22.74 C ATOM 838 CZ TYR A 155 25.410 5.467 -13.117 1.00 23.62 C ATOM 839 OH TYR A 155 25.219 5.507 -14.480 1.00 26.76 O ATOM 840 HH TYR A 155 25.600 4.690 -14.890 1.00 0.00 H ATOM 841 H TYR A 155 27.025 5.838 -6.479 1.00 0.00 H ATOM 842 N ASN A 156 27.471 8.162 -8.721 1.00 21.18 N ATOM 843 CA ASN A 156 27.538 9.455 -9.403 1.00 22.40 C ATOM 844 C ASN A 156 28.920 10.095 -9.376 1.00 25.14 C ATOM 845 O ASN A 156 29.783 9.703 -8.579 1.00 24.81 O ATOM 846 CB ASN A 156 26.481 10.390 -8.818 1.00 21.53 C ATOM 847 CG ASN A 156 25.077 9.927 -9.142 1.00 21.50 C ATOM 848 OD1 ASN A 156 24.620 10.081 -10.275 1.00 21.68 O ATOM 849 ND2 ASN A 156 24.392 9.344 -8.162 1.00 19.68 N ATOM 850 HD22 ASN A 156 24.821 9.236 -7.221 1.00 0.00 H ATOM 851 HD21 ASN A 156 23.428 8.996 -8.337 1.00 0.00 H ATOM 852 H ASN A 156 27.096 8.119 -7.752 1.00 0.00 H ATOM 853 N LYS A 157 29.123 11.050 -10.280 1.00 26.87 N ATOM 854 CA LYS A 157 30.350 11.843 -10.328 1.00 28.84 C ATOM 855 C LYS A 157 30.353 12.781 -9.123 1.00 28.33 C ATOM 856 O LYS A 157 29.299 13.298 -8.748 1.00 27.86 O ATOM 857 CB LYS A 157 30.437 12.667 -11.616 1.00 33.14 C ATOM 858 CG LYS A 157 30.424 11.859 -12.906 1.00 36.06 C ATOM 859 CD LYS A 157 30.473 12.773 -14.121 1.00 41.76 C ATOM 860 CE LYS A 157 30.230 11.996 -15.405 1.00 46.05 C ATOM 861 NZ LYS A 157 30.276 12.865 -16.614 1.00 49.45 N ATOM 862 HZ1 LYS A 157 29.543 13.599 -16.540 1.00 0.00 H ATOM 863 HZ2 LYS A 157 31.212 13.313 -16.682 1.00 0.00 H ATOM 864 HZ3 LYS A 157 30.104 12.287 -17.462 1.00 0.00 H ATOM 865 H LYS A 157 28.378 11.240 -10.981 1.00 0.00 H ATOM 866 N PRO A 158 31.528 13.001 -8.511 1.00 28.26 N ATOM 867 CA PRO A 158 31.650 13.849 -7.323 1.00 28.09 C ATOM 868 C PRO A 158 30.994 15.220 -7.468 1.00 27.81 C ATOM 869 O PRO A 158 30.463 15.744 -6.492 1.00 27.04 O ATOM 870 CB PRO A 158 33.165 14.009 -7.178 1.00 28.72 C ATOM 871 CG PRO A 158 33.703 12.727 -7.704 1.00 28.69 C ATOM 872 CD PRO A 158 32.824 12.395 -8.870 1.00 28.54 C ATOM 873 N THR A 159 31.035 15.773 -8.678 1.00 28.70 N ATOM 874 CA THR A 159 30.558 17.129 -8.951 1.00 30.74 C ATOM 875 C THR A 159 29.094 17.192 -9.408 1.00 30.12 C ATOM 876 O THR A 159 28.586 18.281 -9.685 1.00 30.24 O ATOM 877 CB THR A 159 31.443 17.799 -10.023 1.00 32.06 C ATOM 878 OG1 THR A 159 31.471 16.982 -11.201 1.00 32.04 O ATOM 879 CG2 THR A 159 32.869 17.984 -9.502 1.00 33.90 C ATOM 880 HG1 THR A 159 30.551 16.878 -11.551 1.00 0.00 H ATOM 881 H THR A 159 31.424 15.216 -9.465 1.00 0.00 H ATOM 882 N ASP A 160 28.415 16.044 -9.489 1.00 27.38 N ATOM 883 CA ASP A 160 27.006 16.007 -9.887 1.00 26.35 C ATOM 884 C ASP A 160 26.155 16.641 -8.799 1.00 24.45 C ATOM 885 O ASP A 160 26.392 16.422 -7.611 1.00 23.89 O ATOM 886 CB ASP A 160 26.508 14.566 -10.100 1.00 27.22 C ATOM 887 CG ASP A 160 27.094 13.903 -11.336 1.00 30.41 C ATOM 888 OD1 ASP A 160 27.475 14.612 -12.291 1.00 32.22 O ATOM 889 OD2 ASP A 160 27.155 12.652 -11.352 1.00 29.95 O ATOM 890 H ASP A 160 28.900 15.152 -9.263 1.00 0.00 H ATOM 891 N ASP A 161 25.152 17.412 -9.213 1.00 23.18 N ATOM 892 CA ASP A 161 24.227 18.030 -8.274 1.00 23.26 C ATOM 893 C ASP A 161 23.543 17.030 -7.351 1.00 21.28 C ATOM 894 O ASP A 161 23.266 17.353 -6.196 1.00 20.43 O ATOM 895 CB ASP A 161 23.132 18.803 -9.007 1.00 25.41 C ATOM 896 CG ASP A 161 23.638 20.061 -9.670 1.00 28.58 C ATOM 897 OD1 ASP A 161 24.826 20.412 -9.524 1.00 29.74 O ATOM 898 OD2 ASP A 161 22.820 20.695 -10.359 1.00 31.42 O ATOM 899 H ASP A 161 25.026 17.577 -10.232 1.00 0.00 H ATOM 900 N ILE A 162 23.247 15.827 -7.845 1.00 21.01 N ATOM 901 CA ILE A 162 22.520 14.862 -7.019 1.00 20.87 C ATOM 902 C ILE A 162 23.302 14.487 -5.758 1.00 19.61 C ATOM 903 O ILE A 162 22.704 14.192 -4.725 1.00 19.01 O ATOM 904 CB ILE A 162 22.113 13.588 -7.786 1.00 21.34 C ATOM 905 CG1 ILE A 162 21.110 12.810 -6.935 1.00 21.96 C ATOM 906 CG2 ILE A 162 23.332 12.740 -8.118 1.00 21.79 C ATOM 907 CD1 ILE A 162 20.086 12.029 -7.720 1.00 22.99 C ATOM 908 H ILE A 162 23.532 15.576 -8.813 1.00 0.00 H ATOM 909 N VAL A 163 24.631 14.527 -5.833 1.00 19.22 N ATOM 910 CA VAL A 163 25.464 14.283 -4.659 1.00 19.76 C ATOM 911 C VAL A 163 25.204 15.341 -3.579 1.00 20.01 C ATOM 912 O VAL A 163 25.079 15.017 -2.402 1.00 20.70 O ATOM 913 CB VAL A 163 26.966 14.208 -5.035 1.00 19.72 C ATOM 914 CG1 VAL A 163 27.825 14.243 -3.788 1.00 20.22 C ATOM 915 CG2 VAL A 163 27.243 12.935 -5.839 1.00 20.34 C ATOM 916 H VAL A 163 25.084 14.736 -6.745 1.00 0.00 H ATOM 917 N LEU A 164 25.097 16.600 -3.994 1.00 20.42 N ATOM 918 CA LEU A 164 24.791 17.684 -3.070 1.00 21.56 C ATOM 919 C LEU A 164 23.390 17.528 -2.470 1.00 20.94 C ATOM 920 O LEU A 164 23.179 17.843 -1.305 1.00 21.57 O ATOM 921 CB LEU A 164 24.925 19.037 -3.775 1.00 22.28 C ATOM 922 CG LEU A 164 24.737 20.279 -2.901 1.00 23.65 C ATOM 923 CD1 LEU A 164 25.721 20.292 -1.740 1.00 24.48 C ATOM 924 CD2 LEU A 164 24.891 21.539 -3.741 1.00 23.77 C ATOM 925 H LEU A 164 25.235 16.816 -5.002 1.00 0.00 H ATOM 926 N MET A 165 22.444 17.033 -3.270 1.00 20.70 N ATOM 927 CA MET A 165 21.072 16.814 -2.815 1.00 20.69 C ATOM 928 C MET A 165 21.017 15.692 -1.772 1.00 20.44 C ATOM 929 O MET A 165 20.412 15.854 -0.702 1.00 19.98 O ATOM 930 CB MET A 165 20.180 16.528 -4.028 1.00 21.29 C ATOM 931 CG MET A 165 20.123 17.711 -4.998 1.00 23.02 C ATOM 932 SD MET A 165 19.344 17.346 -6.581 1.00 23.00 S ATOM 933 CE MET A 165 17.619 17.460 -6.116 1.00 22.29 C ATOM 934 H MET A 165 22.691 16.795 -4.252 1.00 0.00 H ATOM 935 N ALA A 166 21.694 14.582 -2.074 1.00 19.93 N ATOM 936 CA ALA A 166 21.857 13.467 -1.138 1.00 19.64 C ATOM 937 C ALA A 166 22.481 13.936 0.182 1.00 19.96 C ATOM 938 O ALA A 166 21.972 13.625 1.247 1.00 20.18 O ATOM 939 CB ALA A 166 22.711 12.367 -1.766 1.00 17.78 C ATOM 940 H ALA A 166 22.126 14.505 -3.017 1.00 0.00 H ATOM 941 N GLN A 167 23.583 14.679 0.106 1.00 22.18 N ATOM 942 CA GLN A 167 24.256 15.177 1.322 1.00 24.16 C ATOM 943 C GLN A 167 23.314 16.024 2.190 1.00 23.78 C ATOM 944 O GLN A 167 23.283 15.885 3.422 1.00 21.68 O ATOM 945 CB GLN A 167 25.521 15.977 0.954 1.00 26.87 C ATOM 946 CG GLN A 167 26.666 15.148 0.389 1.00 29.68 C ATOM 947 CD GLN A 167 27.853 15.989 -0.077 1.00 34.60 C ATOM 948 OE1 GLN A 167 27.716 16.878 -0.927 1.00 35.52 O ATOM 949 NE2 GLN A 167 29.033 15.697 0.466 1.00 36.85 N ATOM 950 HE22 GLN A 167 29.105 14.942 1.178 1.00 0.00 H ATOM 951 HE21 GLN A 167 29.882 16.224 0.179 1.00 0.00 H ATOM 952 H GLN A 167 23.977 14.913 -0.828 1.00 0.00 H ATOM 953 N THR A 168 22.532 16.889 1.545 1.00 22.62 N ATOM 954 CA THR A 168 21.564 17.735 2.247 1.00 22.14 C ATOM 955 C THR A 168 20.500 16.910 2.982 1.00 22.29 C ATOM 956 O THR A 168 20.220 17.158 4.154 1.00 22.44 O ATOM 957 CB THR A 168 20.920 18.753 1.278 1.00 23.05 C ATOM 958 OG1 THR A 168 21.956 19.539 0.684 1.00 23.58 O ATOM 959 CG2 THR A 168 19.942 19.672 2.002 1.00 23.25 C ATOM 960 HG1 THR A 168 22.575 18.947 0.188 1.00 0.00 H ATOM 961 H THR A 168 22.611 16.966 0.511 1.00 0.00 H ATOM 962 N LEU A 169 19.935 15.911 2.306 1.00 21.65 N ATOM 963 CA LEU A 169 18.928 15.039 2.920 1.00 21.56 C ATOM 964 C LEU A 169 19.530 14.198 4.047 1.00 21.48 C ATOM 965 O LEU A 169 18.919 14.027 5.101 1.00 21.00 O ATOM 966 CB LEU A 169 18.291 14.128 1.861 1.00 20.55 C ATOM 967 CG LEU A 169 17.518 14.843 0.749 1.00 21.80 C ATOM 968 CD1 LEU A 169 17.276 13.905 -0.430 1.00 20.26 C ATOM 969 CD2 LEU A 169 16.212 15.414 1.285 1.00 21.86 C ATOM 970 H LEU A 169 20.215 15.745 1.318 1.00 0.00 H ATOM 971 N GLU A 170 20.745 13.701 3.830 1.00 21.82 N ATOM 972 CA GLU A 170 21.400 12.846 4.824 1.00 22.71 C ATOM 973 C GLU A 170 21.768 13.606 6.097 1.00 22.77 C ATOM 974 O GLU A 170 21.700 13.045 7.195 1.00 21.92 O ATOM 975 CB GLU A 170 22.627 12.166 4.244 1.00 23.84 C ATOM 976 CG GLU A 170 23.185 11.100 5.166 1.00 25.36 C ATOM 977 CD GLU A 170 24.084 10.120 4.457 1.00 28.90 C ATOM 978 OE1 GLU A 170 24.948 10.570 3.680 1.00 30.44 O ATOM 979 OE2 GLU A 170 23.937 8.906 4.713 1.00 34.70 O ATOM 980 H GLU A 170 21.238 13.923 2.941 1.00 0.00 H ATOM 981 N LYS A 171 22.157 14.873 5.955 1.00 23.02 N ATOM 982 CA LYS A 171 22.415 15.719 7.117 1.00 23.64 C ATOM 983 C LYS A 171 21.158 15.852 7.980 1.00 23.88 C ATOM 984 O LYS A 171 21.239 15.795 9.207 1.00 24.58 O ATOM 985 CB LYS A 171 22.944 17.095 6.694 1.00 24.50 C ATOM 986 CG LYS A 171 24.384 17.053 6.208 1.00 24.99 C ATOM 987 CD LYS A 171 24.932 18.408 5.788 1.00 25.90 C ATOM 988 CE LYS A 171 26.205 18.250 4.963 1.00 26.39 C ATOM 989 NZ LYS A 171 27.396 17.891 5.787 1.00 26.58 N ATOM 990 HZ1 LYS A 171 27.567 18.637 6.491 1.00 0.00 H ATOM 991 HZ2 LYS A 171 27.221 16.988 6.273 1.00 0.00 H ATOM 992 HZ3 LYS A 171 28.228 17.798 5.170 1.00 0.00 H ATOM 993 H LYS A 171 22.279 15.266 5.000 1.00 0.00 H ATOM 994 N ILE A 172 19.998 15.999 7.340 1.00 23.66 N ATOM 995 CA ILE A 172 18.718 16.036 8.059 1.00 23.31 C ATOM 996 C ILE A 172 18.404 14.684 8.710 1.00 23.72 C ATOM 997 O ILE A 172 17.964 14.618 9.864 1.00 24.64 O ATOM 998 CB ILE A 172 17.554 16.435 7.128 1.00 24.25 C ATOM 999 CG1 ILE A 172 17.739 17.863 6.612 1.00 26.09 C ATOM 1000 CG2 ILE A 172 16.221 16.308 7.852 1.00 25.06 C ATOM 1001 CD1 ILE A 172 16.885 18.173 5.403 1.00 26.90 C ATOM 1002 H ILE A 172 19.999 16.090 6.304 1.00 0.00 H ATOM 1003 N PHE A 173 18.626 13.608 7.963 1.00 22.95 N ATOM 1004 CA PHE A 173 18.506 12.256 8.499 1.00 23.58 C ATOM 1005 C PHE A 173 19.300 12.115 9.806 1.00 23.34 C ATOM 1006 O PHE A 173 18.751 11.713 10.843 1.00 24.12 O ATOM 1007 CB PHE A 173 18.967 11.244 7.442 1.00 23.11 C ATOM 1008 CG PHE A 173 19.078 9.835 7.942 1.00 24.05 C ATOM 1009 CD1 PHE A 173 17.937 9.082 8.204 1.00 24.56 C ATOM 1010 CD2 PHE A 173 20.324 9.246 8.120 1.00 25.08 C ATOM 1011 CE1 PHE A 173 18.040 7.774 8.647 1.00 25.75 C ATOM 1012 CE2 PHE A 173 20.432 7.938 8.571 1.00 25.67 C ATOM 1013 CZ PHE A 173 19.287 7.202 8.831 1.00 25.30 C ATOM 1014 H PHE A 173 18.893 13.733 6.966 1.00 0.00 H ATOM 1015 N LEU A 174 20.576 12.482 9.766 1.00 22.23 N ATOM 1016 CA LEU A 174 21.452 12.340 10.931 1.00 25.41 C ATOM 1017 C LEU A 174 21.029 13.244 12.085 1.00 26.88 C ATOM 1018 O LEU A 174 20.998 12.810 13.244 1.00 26.97 O ATOM 1019 CB LEU A 174 22.905 12.602 10.541 1.00 26.78 C ATOM 1020 CG LEU A 174 23.487 11.495 9.673 1.00 28.87 C ATOM 1021 CD1 LEU A 174 24.745 11.989 8.983 1.00 30.66 C ATOM 1022 CD2 LEU A 174 23.760 10.247 10.503 1.00 28.77 C ATOM 1023 H LEU A 174 20.962 12.880 8.886 1.00 0.00 H ATOM 1024 N GLN A 175 20.689 14.492 11.766 1.00 28.13 N ATOM 1025 CA GLN A 175 20.166 15.429 12.766 1.00 30.90 C ATOM 1026 C GLN A 175 18.965 14.861 13.501 1.00 31.57 C ATOM 1027 O GLN A 175 18.911 14.905 14.729 1.00 31.22 O ATOM 1028 CB GLN A 175 19.789 16.769 12.125 1.00 33.64 C ATOM 1029 CG GLN A 175 20.990 17.650 11.844 1.00 38.65 C ATOM 1030 CD GLN A 175 20.648 18.924 11.090 1.00 41.50 C ATOM 1031 OE1 GLN A 175 19.537 19.093 10.579 1.00 42.43 O ATOM 1032 NE2 GLN A 175 21.616 19.834 11.016 1.00 43.80 N ATOM 1033 HE22 GLN A 175 22.538 19.650 11.461 1.00 0.00 H ATOM 1034 HE21 GLN A 175 21.451 20.729 10.513 1.00 0.00 H ATOM 1035 H GLN A 175 20.797 14.810 10.782 1.00 0.00 H ATOM 1036 N LYS A 176 18.013 14.312 12.751 1.00 30.18 N ATOM 1037 CA LYS A 176 16.799 13.777 13.347 1.00 31.70 C ATOM 1038 C LYS A 176 17.086 12.490 14.117 1.00 31.15 C ATOM 1039 O LYS A 176 16.521 12.270 15.185 1.00 31.10 O ATOM 1040 CB LYS A 176 15.726 13.536 12.279 1.00 32.50 C ATOM 1041 CG LYS A 176 15.258 14.790 11.560 1.00 35.90 C ATOM 1042 CD LYS A 176 14.435 15.701 12.456 1.00 40.41 C ATOM 1043 CE LYS A 176 14.111 17.014 11.763 1.00 43.85 C ATOM 1044 NZ LYS A 176 13.347 16.806 10.502 1.00 47.64 N ATOM 1045 HZ1 LYS A 176 13.910 16.224 9.849 1.00 0.00 H ATOM 1046 HZ2 LYS A 176 12.452 16.322 10.716 1.00 0.00 H ATOM 1047 HZ3 LYS A 176 13.148 17.727 10.063 1.00 0.00 H ATOM 1048 H LYS A 176 18.139 14.265 11.720 1.00 0.00 H ATOM 1049 N VAL A 177 17.968 11.648 13.576 1.00 28.98 N ATOM 1050 CA VAL A 177 18.315 10.377 14.217 1.00 28.99 C ATOM 1051 C VAL A 177 19.018 10.595 15.561 1.00 28.85 C ATOM 1052 O VAL A 177 18.926 9.752 16.456 1.00 28.73 O ATOM 1053 CB VAL A 177 19.160 9.474 13.284 1.00 30.55 C ATOM 1054 CG1 VAL A 177 20.095 8.573 14.076 1.00 30.96 C ATOM 1055 CG2 VAL A 177 18.242 8.649 12.392 1.00 30.46 C ATOM 1056 H VAL A 177 18.422 11.901 12.675 1.00 0.00 H ATOM 1057 N ALA A 178 19.683 11.739 15.709 1.00 30.16 N ATOM 1058 CA ALA A 178 20.329 12.111 16.973 1.00 31.64 C ATOM 1059 C ALA A 178 19.343 12.215 18.145 1.00 33.23 C ATOM 1060 O ALA A 178 19.751 12.071 19.299 1.00 34.17 O ATOM 1061 CB ALA A 178 21.083 13.425 16.810 1.00 30.94 C ATOM 1062 H ALA A 178 19.747 12.391 14.901 1.00 0.00 H ATOM 1063 N SER A 179 18.066 12.468 17.844 1.00 34.35 N ATOM 1064 CA SER A 179 17.013 12.620 18.859 1.00 35.42 C ATOM 1065 C SER A 179 15.982 11.479 18.854 1.00 35.83 C ATOM 1066 O SER A 179 14.902 11.614 19.430 1.00 34.07 O ATOM 1067 CB SER A 179 16.288 13.959 18.657 1.00 37.02 C ATOM 1068 OG SER A 179 17.187 15.051 18.766 1.00 39.49 O ATOM 1069 HG SER A 179 17.893 14.966 18.077 1.00 0.00 H ATOM 1070 H SER A 179 17.804 12.562 16.842 1.00 0.00 H ATOM 1071 N MET A 180 16.315 10.364 18.209 1.00 34.40 N ATOM 1072 CA MET A 180 15.437 9.198 18.163 1.00 35.18 C ATOM 1073 C MET A 180 15.430 8.493 19.523 1.00 36.82 C ATOM 1074 O MET A 180 16.459 8.458 20.202 1.00 35.00 O ATOM 1075 CB MET A 180 15.936 8.221 17.087 1.00 35.07 C ATOM 1076 CG MET A 180 15.160 6.915 17.001 1.00 36.64 C ATOM 1077 SD MET A 180 15.753 5.787 15.725 1.00 38.82 S ATOM 1078 CE MET A 180 17.529 5.978 15.888 1.00 36.12 C ATOM 1079 H MET A 180 17.232 10.321 17.721 1.00 0.00 H ATOM 1080 N PRO A 181 14.278 7.919 19.921 1.00 40.19 N ATOM 1081 CA PRO A 181 14.245 7.124 21.150 1.00 43.68 C ATOM 1082 C PRO A 181 15.247 5.970 21.152 1.00 44.75 C ATOM 1083 O PRO A 181 15.636 5.482 20.095 1.00 43.15 O ATOM 1084 CB PRO A 181 12.819 6.556 21.165 1.00 42.82 C ATOM 1085 CG PRO A 181 12.015 7.513 20.370 1.00 42.91 C ATOM 1086 CD PRO A 181 12.936 8.065 19.323 1.00 40.08 C ATOM 1087 N GLN A 182 15.669 5.551 22.340 1.00 49.82 N ATOM 1088 CA GLN A 182 16.330 4.253 22.488 1.00 53.90 C ATOM 1089 C GLN A 182 15.218 3.215 22.654 1.00 54.68 C ATOM 1090 O GLN A 182 14.076 3.575 22.944 1.00 58.96 O ATOM 1091 CB GLN A 182 17.344 4.230 23.649 1.00 56.79 C ATOM 1092 CG GLN A 182 16.952 4.996 24.910 1.00 59.64 C ATOM 1093 CD GLN A 182 18.049 5.024 25.965 1.00 60.45 C ATOM 1094 OE1 GLN A 182 17.986 5.812 26.909 1.00 62.23 O ATOM 1095 NE2 GLN A 182 19.062 4.176 25.805 1.00 59.52 N ATOM 1096 HE22 GLN A 182 19.074 3.528 24.992 1.00 0.00 H ATOM 1097 HE21 GLN A 182 19.842 4.162 26.493 1.00 0.00 H ATOM 1098 H GLN A 182 15.528 6.153 23.176 1.00 0.00 H ATOM 1099 N GLU A 183 15.540 1.940 22.448 1.00 56.77 N ATOM 1100 CA GLU A 183 14.522 0.880 22.420 1.00 57.32 C ATOM 1101 C GLU A 183 13.821 0.681 23.766 1.00 59.34 C ATOM 1102 O GLU A 183 14.149 1.330 24.761 1.00 59.28 O ATOM 1103 CB GLU A 183 15.139 -0.446 21.964 1.00 57.00 C ATOM 1104 H GLU A 183 16.538 1.687 22.303 1.00 0.00 H TER 1105 GLU A 183 HETATM 1106 O HOH 1 5.403 -2.173 20.559 1.00 56.33 O HETATM 1107 O HOH 2 12.928 -0.898 16.783 1.00 55.47 O HETATM 1108 O HOH 3 9.095 -0.325 21.677 1.00 67.00 O HETATM 1109 O HOH 4 18.071 0.273 19.197 1.00 48.41 O HETATM 1110 O HOH 5 6.427 2.975 11.755 1.00 52.67 O HETATM 1111 O HOH 6 4.291 4.461 11.624 1.00 54.04 O HETATM 1112 O HOH 7 3.414 7.942 17.107 1.00 59.76 O HETATM 1113 O HOH 8 5.197 10.226 7.455 1.00 50.70 O HETATM 1114 O HOH 9 3.587 7.234 5.245 1.00 37.59 O HETATM 1115 O HOH 10 6.762 15.474 12.747 1.00 50.86 O HETATM 1116 O HOH 11 -1.520 8.673 15.136 1.00 41.65 O HETATM 1117 O HOH 12 0.721 9.314 18.810 1.00 40.29 O HETATM 1118 O HOH 13 9.441 15.834 10.801 1.00 44.99 O HETATM 1119 O HOH 14 5.969 14.233 4.263 1.00 37.17 O HETATM 1120 O HOH 15 11.370 18.797 5.246 1.00 35.10 O HETATM 1121 O HOH 16 2.682 11.081 -1.134 1.00 61.83 O HETATM 1122 O HOH 17 3.282 13.450 0.602 1.00 61.04 O HETATM 1123 O HOH 18 4.966 13.659 -3.167 1.00 67.30 O HETATM 1124 O HOH 19 7.715 20.869 1.566 1.00 46.21 O HETATM 1125 O HOH 20 9.166 20.398 -1.728 1.00 50.06 O HETATM 1126 O HOH 21 8.192 17.325 8.807 1.00 48.45 O HETATM 1127 O HOH 22 10.087 23.030 5.618 1.00 67.72 O HETATM 1128 O HOH 23 11.126 17.084 -3.988 1.00 26.46 O HETATM 1129 O HOH 24 12.288 21.664 1.398 1.00 28.64 O HETATM 1130 O HOH 25 11.671 20.390 -5.728 1.00 33.79 O HETATM 1131 O HOH 26 11.049 24.825 -2.153 1.00 54.97 O HETATM 1132 O HOH 27 12.286 9.428 -8.117 1.00 31.19 O HETATM 1133 O HOH 28 9.908 12.161 -8.253 1.00 52.40 O HETATM 1134 O HOH 29 11.498 19.934 -8.567 1.00 54.52 O HETATM 1135 O HOH 30 13.721 7.683 -9.560 1.00 37.31 O HETATM 1136 O HOH 31 15.959 6.998 -6.686 1.00 21.60 O HETATM 1137 O HOH 32 7.410 5.817 -4.827 1.00 40.92 O HETATM 1138 O HOH 33 7.721 13.295 -6.712 1.00 50.39 O HETATM 1139 O HOH 34 7.960 -3.546 21.213 1.00 63.44 O HETATM 1140 O HOH 35 9.834 9.430 -7.852 1.00 41.38 O HETATM 1141 O HOH 36 8.354 3.534 -9.637 1.00 55.16 O HETATM 1142 O HOH 37 11.117 3.654 -10.887 1.00 34.70 O HETATM 1143 O HOH 38 14.186 7.111 -12.015 1.00 39.64 O HETATM 1144 O HOH 39 2.598 7.421 20.098 1.00 59.35 O HETATM 1145 O HOH 40 4.589 5.774 18.730 1.00 62.31 O HETATM 1146 O HOH 41 16.548 0.938 -9.077 1.00 27.46 O HETATM 1147 O HOH 42 16.780 2.681 -6.676 1.00 21.01 O HETATM 1148 O HOH 43 16.232 0.480 -13.350 1.00 30.69 O HETATM 1149 O HOH 44 12.594 0.513 -16.388 1.00 41.82 O HETATM 1150 O HOH 45 10.361 2.221 -17.180 1.00 39.13 O HETATM 1151 O HOH 46 10.021 5.625 -14.193 1.00 40.21 O HETATM 1152 O HOH 47 19.720 1.803 -19.527 1.00 52.64 O HETATM 1153 O HOH 48 10.846 20.893 3.623 1.00 38.23 O HETATM 1154 O HOH 49 10.112 19.217 7.900 1.00 48.71 O HETATM 1155 O HOH 50 17.806 4.381 -22.264 1.00 54.65 O HETATM 1156 O HOH 51 5.215 15.373 -0.700 1.00 51.09 O HETATM 1157 O HOH 52 13.998 10.153 -20.176 1.00 36.95 O HETATM 1158 O HOH 53 8.122 9.587 -14.142 1.00 60.30 O HETATM 1159 O HOH 54 9.562 11.299 -16.694 1.00 41.12 O HETATM 1160 O HOH 55 8.262 18.420 -4.994 1.00 50.15 O HETATM 1161 O HOH 56 11.165 23.930 0.601 1.00 42.24 O HETATM 1162 O HOH 57 9.980 23.016 -4.236 1.00 67.40 O HETATM 1163 O HOH 58 20.238 10.959 -16.426 1.00 52.27 O HETATM 1164 O HOH 59 21.817 -0.802 -15.376 1.00 37.98 O HETATM 1165 O HOH 60 8.135 15.954 -8.928 1.00 58.96 O HETATM 1166 O HOH 61 6.503 9.992 -5.702 1.00 79.57 O HETATM 1167 O HOH 62 22.898 -3.077 -20.007 1.00 50.23 O HETATM 1168 O HOH 63 8.278 0.365 -8.395 1.00 42.63 O HETATM 1169 O HOH 64 26.155 5.306 -18.544 1.00 51.29 O HETATM 1170 O HOH 65 30.312 1.187 -16.562 1.00 56.34 O HETATM 1171 O HOH 66 29.416 5.505 -14.479 1.00 58.45 O HETATM 1172 O HOH 67 15.291 -1.429 -8.651 1.00 36.95 O HETATM 1173 O HOH 68 20.653 3.494 -21.764 1.00 60.84 O HETATM 1174 O HOH 69 12.326 -1.510 -9.111 1.00 49.58 O HETATM 1175 O HOH 70 19.424 3.132 -5.378 1.00 21.05 O HETATM 1176 O HOH 71 21.840 6.049 -6.559 1.00 18.59 O HETATM 1177 O HOH 72 12.362 11.452 -17.841 1.00 53.06 O HETATM 1178 O HOH 73 21.994 -5.869 -10.499 1.00 37.68 O HETATM 1179 O HOH 74 20.843 -3.642 -9.011 1.00 27.18 O HETATM 1180 O HOH 75 19.383 -2.030 -16.431 1.00 59.40 O HETATM 1181 O HOH 76 23.050 -1.843 -22.657 1.00 62.82 O HETATM 1182 O HOH 77 16.088 -4.031 -8.736 1.00 49.23 O HETATM 1183 O HOH 78 22.144 -7.935 -8.239 1.00 66.96 O HETATM 1184 O HOH 79 18.827 -5.094 -8.499 1.00 37.04 O HETATM 1185 O HOH 80 26.618 -2.233 -4.641 1.00 36.47 O HETATM 1186 O HOH 81 30.258 -1.853 -7.350 1.00 47.05 O HETATM 1187 O HOH 82 21.360 -3.406 4.683 1.00 49.27 O HETATM 1188 O HOH 83 14.305 -1.285 -5.908 1.00 36.17 O HETATM 1189 O HOH 84 24.272 -1.142 -3.439 1.00 24.80 O HETATM 1190 O HOH 85 19.522 -6.486 -5.995 1.00 33.43 O HETATM 1191 O HOH 86 25.698 -6.884 -13.608 1.00 52.47 O HETATM 1192 O HOH 87 28.458 -7.603 -11.103 1.00 54.57 O HETATM 1193 O HOH 88 19.883 -1.635 2.966 1.00 31.64 O HETATM 1194 O HOH 89 16.852 -3.796 2.390 1.00 35.55 O HETATM 1195 O HOH 90 23.838 -5.535 -0.666 1.00 49.31 O HETATM 1196 O HOH 91 23.458 -4.139 2.933 1.00 45.01 O HETATM 1197 O HOH 92 3.636 7.364 -1.523 1.00 64.83 O HETATM 1198 O HOH 93 15.123 -3.294 -4.193 1.00 57.58 O HETATM 1199 O HOH 94 17.505 -3.422 -2.490 1.00 43.92 O HETATM 1200 O HOH 95 11.767 -7.970 -2.470 1.00 60.31 O HETATM 1201 O HOH 96 15.891 -7.026 -2.867 1.00 36.95 O HETATM 1202 O HOH 97 15.091 1.214 -5.008 1.00 21.47 O HETATM 1203 O HOH 98 17.480 6.252 -4.608 1.00 25.62 O HETATM 1204 O HOH 99 8.845 2.274 -4.459 1.00 53.46 O HETATM 1205 O HOH 100 5.626 4.797 -1.012 1.00 45.35 O HETATM 1206 O HOH 101 11.216 -1.445 -4.304 1.00 52.49 O HETATM 1207 O HOH 102 5.446 11.241 4.353 1.00 51.41 O HETATM 1208 O HOH 103 5.594 2.122 -3.283 1.00 58.49 O HETATM 1209 O HOH 104 9.732 -3.949 -0.193 1.00 49.13 O HETATM 1210 O HOH 105 32.220 3.698 -12.221 1.00 50.30 O HETATM 1211 O HOH 106 8.179 -1.179 9.561 1.00 39.68 O HETATM 1212 O HOH 107 14.705 -6.204 3.315 1.00 42.83 O HETATM 1213 O HOH 108 11.421 -7.193 0.344 1.00 50.47 O HETATM 1214 O HOH 109 15.929 -4.365 -0.570 1.00 46.36 O HETATM 1215 O HOH 110 28.635 22.479 -7.438 1.00 40.48 O HETATM 1216 O HOH 111 22.124 17.703 -13.080 1.00 51.43 O HETATM 1217 O HOH 112 24.540 21.640 -14.533 1.00 46.33 O HETATM 1218 O HOH 113 6.564 0.492 11.069 1.00 49.65 O HETATM 1219 O HOH 114 1.724 0.822 1.491 1.00 56.46 O HETATM 1220 O HOH 115 22.440 21.155 4.409 1.00 43.04 O HETATM 1221 O HOH 116 26.892 20.033 1.714 1.00 57.09 O HETATM 1222 O HOH 117 1.041 -5.025 7.286 1.00 55.07 O HETATM 1223 O HOH 118 6.628 -3.887 2.420 1.00 54.66 O HETATM 1224 O HOH 119 5.889 -7.065 11.618 1.00 58.86 O HETATM 1225 O HOH 120 16.452 18.719 14.936 1.00 56.75 O HETATM 1226 O HOH 121 18.595 19.464 16.957 1.00 63.17 O HETATM 1227 O HOH 122 15.956 20.539 9.208 1.00 60.23 O HETATM 1228 O HOH 123 8.224 -8.359 7.523 1.00 48.50 O HETATM 1229 O HOH 124 20.018 -3.791 11.352 1.00 46.72 O HETATM 1230 O HOH 125 17.518 -3.147 5.896 1.00 36.95 O HETATM 1231 O HOH 126 14.205 -5.245 7.649 1.00 44.74 O HETATM 1232 O HOH 127 17.135 -10.632 10.454 1.00 61.48 O HETATM 1233 O HOH 128 23.557 0.385 5.191 1.00 28.02 O HETATM 1234 O HOH 129 23.026 -3.601 7.212 1.00 59.51 O HETATM 1235 O HOH 130 25.507 6.981 3.620 1.00 38.05 O HETATM 1236 O HOH 131 23.697 7.494 7.177 1.00 40.87 O HETATM 1237 O HOH 132 27.321 1.581 4.355 1.00 36.24 O HETATM 1238 O HOH 133 24.286 -1.094 1.764 1.00 35.37 O HETATM 1239 O HOH 134 20.218 6.019 -4.402 1.00 23.12 O HETATM 1240 O HOH 135 25.667 1.090 -0.923 1.00 32.12 O HETATM 1241 O HOH 136 32.065 7.754 -6.506 1.00 32.35 O HETATM 1242 O HOH 137 30.421 10.799 -6.125 1.00 28.27 O HETATM 1243 O HOH 138 26.715 13.411 3.142 1.00 43.68 O HETATM 1244 O HOH 139 31.578 5.762 -10.016 1.00 50.05 O HETATM 1245 O HOH 140 29.683 4.751 -11.731 1.00 48.24 O HETATM 1246 O HOH 141 28.644 8.071 -13.063 1.00 46.43 O HETATM 1247 O HOH 142 32.571 8.711 -9.919 1.00 58.76 O HETATM 1248 O HOH 143 23.794 12.903 -11.922 1.00 48.85 O HETATM 1249 O HOH 144 26.843 10.473 -13.126 1.00 51.82 O HETATM 1250 O HOH 145 28.490 17.617 -6.074 1.00 28.27 O HETATM 1251 O HOH 146 31.663 16.171 -3.836 1.00 47.55 O HETATM 1252 O HOH 147 27.199 20.082 -7.977 1.00 38.83 O HETATM 1253 O HOH 148 29.388 16.738 -12.926 1.00 43.06 O HETATM 1254 O HOH 149 35.688 17.921 -13.086 1.00 64.02 O HETATM 1255 O HOH 150 27.163 13.814 -14.868 1.00 47.95 O HETATM 1256 O HOH 151 23.082 15.379 -10.786 1.00 25.92 O HETATM 1257 O HOH 152 24.939 17.991 -12.093 1.00 34.19 O HETATM 1258 O HOH 153 25.496 22.232 -11.435 1.00 35.41 O HETATM 1259 O HOH 154 22.389 20.456 -13.003 1.00 44.54 O HETATM 1260 O HOH 155 25.817 14.939 4.771 1.00 45.90 O HETATM 1261 O HOH 156 29.425 17.724 -3.179 1.00 45.16 O HETATM 1262 O HOH 157 30.220 18.825 0.785 1.00 63.19 O HETATM 1263 O HOH 158 31.648 14.460 1.920 1.00 33.21 O HETATM 1264 O HOH 159 28.147 15.623 3.106 1.00 49.91 O HETATM 1265 O HOH 160 24.154 20.002 2.378 1.00 45.31 O HETATM 1266 O HOH 161 20.428 19.691 5.391 1.00 32.58 O HETATM 1267 O HOH 162 30.272 16.489 4.364 1.00 38.99 O HETATM 1268 O HOH 163 27.695 15.433 7.215 1.00 37.76 O HETATM 1269 O HOH 164 29.324 19.524 5.566 1.00 42.04 O HETATM 1270 O HOH 165 29.222 19.034 8.469 1.00 53.74 O HETATM 1271 O HOH 166 24.042 22.782 6.371 1.00 57.86 O HETATM 1272 O HOH 167 26.250 18.951 9.440 1.00 45.45 O HETATM 1273 O HOH 168 17.468 16.346 16.497 1.00 47.26 O HETATM 1274 O HOH 169 13.574 18.993 8.793 1.00 54.12 O HETATM 1275 O HOH 170 20.270 8.333 18.396 1.00 41.08 O HETATM 1276 O HOH 171 11.921 11.732 21.038 1.00 53.02 O HETATM 1277 O HOH 172 18.728 6.621 20.044 1.00 39.76 O HETATM 1278 O HOH 173 14.611 7.149 24.615 1.00 48.33 O HETATM 1279 O HOH 174 18.138 1.159 21.950 1.00 54.19 O HETATM 1280 O HOH 175 10.097 -8.807 21.459 1.00 55.25 O HETATM 1281 O UNN A 176 21.499 8.469 -8.019 1.00 -0.39 O HETATM 1282 C17 UNN A 176 20.386 8.908 -8.269 1.00 0.20 C HETATM 1283 C18 UNN A 176 19.306 8.961 -7.221 1.00 0.03 C HETATM 1284 H UNN A 176 18.392 9.389 -7.658 1.00 0.05 H HETATM 1285 H UNN A 176 19.640 9.589 -6.382 1.00 0.05 H HETATM 1286 H UNN A 176 19.098 7.944 -6.857 1.00 0.05 H HETATM 1287 N2 UNN A 176 20.099 9.358 -9.528 1.00 -0.22 N HETATM 1288 C2 UNN A 176 21.215 9.330 -10.520 1.00 0.07 C HETATM 1289 C1 UNN A 176 21.231 8.014 -11.287 1.00 -0.04 C HETATM 1290 H UNN A 176 22.061 8.021 -12.009 1.00 0.03 H HETATM 1291 H UNN A 176 20.279 7.891 -11.824 1.00 0.03 H HETATM 1292 H UNN A 176 21.365 7.180 -10.582 1.00 0.03 H HETATM 1293 C3 UNN A 176 21.181 10.570 -11.420 1.00 0.01 C HETATM 1294 C4 UNN A 176 20.126 11.611 -11.065 1.00 0.07 C HETATM 1295 C11 UNN A 176 18.832 10.919 -10.735 1.00 0.00 C HETATM 1296 C16 UNN A 176 18.812 9.785 -9.986 1.00 0.08 C HETATM 1297 C15 UNN A 176 17.628 9.101 -9.685 1.00 -0.05 C HETATM 1298 C14 UNN A 176 16.430 9.597 -10.189 1.00 -0.07 C HETATM 1299 C13 UNN A 176 16.420 10.757 -10.983 1.00 -0.04 C HETATM 1300 C12 UNN A 176 17.634 11.410 -11.264 1.00 -0.06 C HETATM 1301 H UNN A 176 17.641 12.294 -11.891 1.00 0.05 H HETATM 1302 C19 UNN A 176 15.143 11.275 -11.557 1.00 -0.04 C HETATM 1303 C30 UNN A 176 13.908 11.060 -10.936 1.00 -0.06 C HETATM 1304 C29 UNN A 176 12.733 11.539 -11.512 1.00 -0.06 C HETATM 1305 C22 UNN A 176 12.788 12.218 -12.728 1.00 0.00 C HETATM 1306 C21 UNN A 176 14.006 12.426 -13.363 1.00 -0.06 C HETATM 1307 C20 UNN A 176 15.174 11.950 -12.785 1.00 -0.06 C HETATM 1308 H UNN A 176 16.122 12.102 -13.289 1.00 0.06 H HETATM 1309 H UNN A 176 14.044 12.958 -14.307 1.00 0.06 H HETATM 1310 C23 UNN A 176 11.533 12.761 -13.354 1.00 0.00 C HETATM 1311 N3 UNN A 176 11.216 14.101 -12.865 1.00 0.25 N HETATM 1312 C28 UNN A 176 11.947 15.126 -13.598 1.00 -0.03 C HETATM 1313 C27 UNN A 176 11.774 16.423 -12.810 1.00 -0.01 C HETATM 1314 C26 UNN A 176 10.304 16.824 -12.750 1.00 -0.04 C HETATM 1315 C25 UNN A 176 9.450 15.671 -12.238 1.00 -0.01 C HETATM 1316 C24 UNN A 176 9.816 14.371 -12.944 1.00 -0.03 C HETATM 1317 H UNN A 176 9.266 13.543 -12.473 1.00 0.08 H HETATM 1318 H UNN A 176 9.527 14.447 -14.003 1.00 0.08 H HETATM 1319 H UNN A 176 8.390 15.897 -12.425 1.00 0.03 H HETATM 1320 H UNN A 176 9.614 15.553 -11.157 1.00 0.03 H HETATM 1321 H UNN A 176 9.965 17.104 -13.758 1.00 0.03 H HETATM 1322 H UNN A 176 10.192 17.684 -12.073 1.00 0.03 H HETATM 1323 H UNN A 176 12.347 17.223 -13.301 1.00 0.03 H HETATM 1324 H UNN A 176 12.151 16.277 -11.787 1.00 0.03 H HETATM 1325 H UNN A 176 11.533 15.238 -14.611 1.00 0.08 H HETATM 1326 H UNN A 176 13.012 14.860 -13.664 1.00 0.08 H HETATM 1327 H UNN A 176 11.492 14.149 -11.897 1.00 0.20 H HETATM 1328 H UNN A 176 10.696 12.088 -13.115 1.00 0.10 H HETATM 1329 H UNN A 176 11.669 12.803 -14.445 1.00 0.10 H HETATM 1330 H UNN A 176 11.781 11.384 -11.017 1.00 0.06 H HETATM 1331 H UNN A 176 13.865 10.516 -9.999 1.00 0.06 H HETATM 1332 H UNN A 176 15.500 9.086 -9.968 1.00 0.05 H HETATM 1333 H UNN A 176 17.644 8.206 -9.074 1.00 0.05 H HETATM 1334 N1 UNN A 176 19.927 12.574 -12.140 1.00 -0.31 N HETATM 1335 C5 UNN A 176 19.641 13.890 -11.909 1.00 0.04 C HETATM 1336 C10 UNN A 176 19.672 14.773 -12.993 1.00 -0.04 C HETATM 1337 C9 UNN A 176 19.410 16.129 -12.808 1.00 -0.07 C HETATM 1338 C8 UNN A 176 19.119 16.615 -11.535 1.00 -0.08 C HETATM 1339 C7 UNN A 176 19.090 15.749 -10.444 1.00 -0.07 C HETATM 1340 C6 UNN A 176 19.347 14.392 -10.632 1.00 -0.04 C HETATM 1341 H UNN A 176 19.320 13.718 -9.784 1.00 0.05 H HETATM 1342 H UNN A 176 18.869 16.129 -9.453 1.00 0.06 H HETATM 1343 H UNN A 176 18.915 17.670 -11.393 1.00 0.05 H HETATM 1344 H UNN A 176 19.433 16.806 -13.655 1.00 0.06 H HETATM 1345 H UNN A 176 19.902 14.400 -13.985 1.00 0.05 H HETATM 1346 H UNN A 176 20.005 12.249 -13.114 1.00 0.18 H HETATM 1347 H UNN A 176 20.468 12.159 -10.175 1.00 0.07 H HETATM 1348 H UNN A 176 20.993 10.235 -12.451 1.00 0.03 H HETATM 1349 H UNN A 176 22.167 11.055 -11.366 1.00 0.03 H HETATM 1350 H UNN A 176 22.157 9.377 -9.953 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1281 1282 CONECT 1282 1281 1283 1287 CONECT 1283 1282 1284 1285 1286 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1283 CONECT 1287 1282 1288 1296 CONECT 1288 1287 1289 1293 1350 CONECT 1289 1288 1290 1291 1292 CONECT 1290 1289 CONECT 1291 1289 CONECT 1292 1289 CONECT 1293 1288 1294 1348 1349 CONECT 1294 1293 1295 1334 1347 CONECT 1295 1294 1296 1300 CONECT 1296 1287 1295 1297 CONECT 1297 1296 1298 1333 CONECT 1298 1297 1299 1332 CONECT 1299 1298 1300 1302 CONECT 1300 1295 1299 1301 CONECT 1301 1300 CONECT 1302 1299 1303 1307 CONECT 1303 1302 1304 1331 CONECT 1304 1303 1305 1330 CONECT 1305 1304 1306 1310 CONECT 1306 1305 1307 1309 CONECT 1307 1302 1306 1308 CONECT 1308 1307 CONECT 1309 1306 CONECT 1310 1305 1311 1328 1329 CONECT 1311 1310 1312 1316 1327 CONECT 1312 1311 1313 1325 1326 CONECT 1313 1312 1314 1323 1324 CONECT 1314 1313 1315 1321 1322 CONECT 1315 1314 1316 1319 1320 CONECT 1316 1311 1315 1317 1318 CONECT 1317 1316 CONECT 1318 1316 CONECT 1319 1315 CONECT 1320 1315 CONECT 1321 1314 CONECT 1322 1314 CONECT 1323 1313 CONECT 1324 1313 CONECT 1325 1312 CONECT 1326 1312 CONECT 1327 1311 CONECT 1328 1310 CONECT 1329 1310 CONECT 1330 1304 CONECT 1331 1303 CONECT 1332 1298 CONECT 1333 1297 CONECT 1334 1294 1335 1346 CONECT 1335 1334 1336 1340 CONECT 1336 1335 1337 1345 CONECT 1337 1336 1338 1344 CONECT 1338 1337 1339 1343 CONECT 1339 1338 1340 1342 CONECT 1340 1335 1339 1341 CONECT 1341 1340 CONECT 1342 1339 CONECT 1343 1338 CONECT 1344 1337 CONECT 1345 1336 CONECT 1346 1334 CONECT 1347 1294 CONECT 1348 1293 CONECT 1349 1293 CONECT 1350 1288 MASTER 0 0 0 0 0 0 0 0 1349 1 74 9 END
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Pocket-Ligand
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Related entries of code: 4uyh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
153aa, >2YDW_1|Chains... at 100%
2yek
RCSB PDB
PDBbind
153aa, >2YEK_1|Chains... at 100%
3aqa
RCSB PDB
PDBbind
128aa, >3AQA_1|Chains... at 95%
4a9i
RCSB PDB
PDBbind
154aa, >4A9I_1|Chains... *
4a9m
RCSB PDB
PDBbind
154aa, >4A9M_1|Chains... at 100%
4a9n
RCSB PDB
PDBbind
154aa, >4A9N_1|Chains... at 100%
4akn
RCSB PDB
PDBbind
153aa, >4AKN_1|Chains... at 100%
4alg
RCSB PDB
PDBbind
154aa, >4ALG_1|Chain... at 100%
4uyf
RCSB PDB
PDBbind
154aa, >4UYF_2|Chains... at 100%
6mo9
RCSB PDB
PDBbind
126aa, >6MO9_1|Chains... at 98%
6mo8
RCSB PDB
PDBbind
126aa, >6MO8_1|Chains... at 98%
6mo7
RCSB PDB
PDBbind
126aa, >6MO7_1|Chains... at 98%
6k05
RCSB PDB
PDBbind
122aa, >6K05_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5acy
RCSB PDB
PDBbind
9S3
Entry Information
PDB ID
4uyh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
BRD2 N-terminal bromodomain
Ligand Name
9S3
EC.Number
E.C.-.-.-.-
Resolution
1.73(Å)
Affinity (Kd/Ki/IC50)
IC50=0.50uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 8111
Ligand Properties
Formula
C
3
0
H
3
6
N
3
O
Molecular Weight
454.626
Exact Mass
454.286
No. of atoms
70
No. of bonds
74
Polar Surface Area
36.78
LOGP Value
5.67 (
Computed with XLOGP3
)
6.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 5
Canonical SMILES
CC(=O)N1[C@@H](C)C[C@H](c2c1ccc(c2)c1ccc(cc1)C[NH+]1CCCCC1)Nc1ccccc1
InChI String
InChI=1S/C30H35N3O/c1-22-19-29(31-27-9-5-3-6-10-27)28-20-26(15-16-30(28)33(22)23(2)34)25-13-11-24(12-14-25)21-32-17-7-4-8-18-32/h3,5-6,9-16,20,22,29,31H,4,7-8,17-19,21H2,1-2H3/p+1/t22-,29+/m0/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):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
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