Browse entries in the PDBbind-CN Database
HEADER 3F7I_COMPLEX COMPND 3F7I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 GLY PRO ALA PHE PRO GLY MET GLY SER GLU GLU LEU ARG SEQRES 2 A 90 LEU ALA SER PHE TYR ASP TRP PRO LEU THR ALA GLU VAL SEQRES 3 A 90 PRO PRO GLU LEU LEU ALA ALA ALA GLY PHE PHE HIS THR SEQRES 4 A 90 GLY HIS GLN ASP LYS VAL ARG CYS PHE PHE CYS TYR GLY SEQRES 5 A 90 GLY LEU GLN SER TRP LYS ARG GLY ASP ASP PRO TRP THR SEQRES 6 A 90 GLU HIS ALA LYS TRP PHE PRO GLY CYS GLN PHE LEU LEU SEQRES 7 A 90 ARG SER LYS GLY GLN GLU TYR ILE ASN ASN ILE HIS HET ZN A 1 1 HET G A 13 74 ATOM 1 N GLY A 78 77.197 84.095 21.625 1.00 36.63 N ATOM 2 CA GLY A 78 77.359 83.400 22.935 1.00 31.80 C ATOM 3 C GLY A 78 77.264 81.895 22.800 1.00 29.71 C ATOM 4 O GLY A 78 76.909 81.385 21.738 1.00 32.57 O ATOM 5 HA3 GLY A 78 76.577 83.742 23.613 1.00 0.00 H ATOM 6 HA2 GLY A 78 78.334 83.655 23.349 1.00 0.00 H ATOM 7 HN3 GLY A 78 76.265 83.864 21.224 1.00 0.00 H ATOM 8 HN2 GLY A 78 77.944 83.781 20.973 1.00 0.00 H ATOM 9 HN1 GLY A 78 77.269 85.123 21.768 1.00 0.00 H ATOM 10 N PRO A 79 77.591 81.165 23.877 1.00 27.38 N ATOM 11 CA PRO A 79 77.531 79.706 23.838 1.00 27.64 C ATOM 12 C PRO A 79 76.104 79.182 23.688 1.00 25.46 C ATOM 13 O PRO A 79 75.160 79.796 24.191 1.00 22.78 O ATOM 14 CB PRO A 79 78.136 79.278 25.180 1.00 27.85 C ATOM 15 CG PRO A 79 78.134 80.469 26.033 1.00 28.51 C ATOM 16 CD PRO A 79 78.055 81.679 25.176 1.00 28.18 C ATOM 17 HA PRO A 79 78.065 79.303 22.977 1.00 0.00 H ATOM 18 HD3 PRO A 79 77.345 82.398 25.585 1.00 0.00 H ATOM 19 HD2 PRO A 79 79.033 82.151 25.080 1.00 0.00 H ATOM 20 HG3 PRO A 79 79.050 80.498 26.623 1.00 0.00 H ATOM 21 HG2 PRO A 79 77.274 80.438 26.702 1.00 0.00 H ATOM 22 HB2 PRO A 79 77.534 78.490 25.631 1.00 0.00 H ATOM 23 HB3 PRO A 79 79.155 78.918 25.037 1.00 0.00 H ATOM 24 N ALA A 80 75.962 78.065 22.983 1.00 23.55 N ATOM 25 CA ALA A 80 74.667 77.393 22.848 1.00 25.37 C ATOM 26 C ALA A 80 74.140 76.947 24.213 1.00 24.19 C ATOM 27 O ALA A 80 72.941 77.047 24.482 1.00 22.84 O ATOM 28 CB ALA A 80 74.786 76.187 21.912 1.00 24.50 C ATOM 29 HA ALA A 80 73.960 78.104 22.420 1.00 0.00 H ATOM 30 HB1 ALA A 80 75.116 76.523 20.929 1.00 0.00 H ATOM 31 HB2 ALA A 80 75.511 75.483 22.319 1.00 0.00 H ATOM 32 HB3 ALA A 80 73.815 75.700 21.824 1.00 0.00 H ATOM 33 H ALA A 80 76.795 77.656 22.513 1.00 0.00 H ATOM 34 N PHE A 81 75.057 76.479 25.062 1.00 22.50 N ATOM 35 CA PHE A 81 74.742 75.901 26.365 1.00 23.95 C ATOM 36 C PHE A 81 75.709 76.491 27.407 1.00 23.81 C ATOM 37 O PHE A 81 76.709 75.858 27.759 1.00 25.15 O ATOM 38 CB PHE A 81 74.874 74.373 26.258 1.00 24.56 C ATOM 39 CG PHE A 81 74.480 73.602 27.502 1.00 25.22 C ATOM 40 CD1 PHE A 81 73.923 74.218 28.619 1.00 24.95 C ATOM 41 CD2 PHE A 81 74.639 72.222 27.526 1.00 27.04 C ATOM 42 CE1 PHE A 81 73.563 73.476 29.736 1.00 23.86 C ATOM 43 CE2 PHE A 81 74.279 71.474 28.641 1.00 25.00 C ATOM 44 CZ PHE A 81 73.738 72.103 29.746 1.00 24.38 C ATOM 45 HA PHE A 81 73.724 76.136 26.677 1.00 0.00 H ATOM 46 HB2 PHE A 81 74.240 74.036 25.438 1.00 0.00 H ATOM 47 HB3 PHE A 81 75.914 74.139 26.032 1.00 0.00 H ATOM 48 HD2 PHE A 81 75.054 71.716 26.654 1.00 0.00 H ATOM 49 HE2 PHE A 81 74.423 70.394 28.644 1.00 0.00 H ATOM 50 HZ PHE A 81 73.450 71.521 30.621 1.00 0.00 H ATOM 51 HE1 PHE A 81 73.141 73.976 30.608 1.00 0.00 H ATOM 52 HD1 PHE A 81 73.767 75.297 28.617 1.00 0.00 H ATOM 53 H PHE A 81 76.056 76.529 24.778 1.00 0.00 H ATOM 54 N PRO A 82 75.422 77.715 27.890 1.00 24.46 N ATOM 55 CA PRO A 82 76.297 78.410 28.845 1.00 24.55 C ATOM 56 C PRO A 82 76.621 77.609 30.106 1.00 25.68 C ATOM 57 O PRO A 82 77.725 77.729 30.642 1.00 24.55 O ATOM 58 CB PRO A 82 75.491 79.665 29.211 1.00 25.80 C ATOM 59 CG PRO A 82 74.597 79.895 28.061 1.00 25.93 C ATOM 60 CD PRO A 82 74.248 78.534 27.533 1.00 23.67 C ATOM 61 HA PRO A 82 77.273 78.603 28.400 1.00 0.00 H ATOM 62 HD3 PRO A 82 73.346 78.151 28.009 1.00 0.00 H ATOM 63 HD2 PRO A 82 74.104 78.560 26.453 1.00 0.00 H ATOM 64 HG3 PRO A 82 75.106 80.480 27.295 1.00 0.00 H ATOM 65 HG2 PRO A 82 73.697 80.421 28.379 1.00 0.00 H ATOM 66 HB2 PRO A 82 74.912 79.497 30.119 1.00 0.00 H ATOM 67 HB3 PRO A 82 76.154 80.517 29.357 1.00 0.00 H ATOM 68 N GLY A 83 75.665 76.795 30.553 1.00 23.43 N ATOM 69 CA GLY A 83 75.807 75.990 31.765 1.00 24.57 C ATOM 70 C GLY A 83 76.927 74.964 31.765 1.00 25.14 C ATOM 71 O GLY A 83 77.330 74.495 32.831 1.00 25.85 O ATOM 72 HA3 GLY A 83 74.869 75.458 31.922 1.00 0.00 H ATOM 73 HA2 GLY A 83 75.981 76.671 32.598 1.00 0.00 H ATOM 74 H GLY A 83 74.777 76.730 30.015 1.00 0.00 H ATOM 75 N MET A 84 77.417 74.601 30.582 1.00 25.89 N ATOM 76 CA MET A 84 78.577 73.715 30.468 1.00 24.37 C ATOM 77 C MET A 84 79.834 74.463 30.009 1.00 23.70 C ATOM 78 O MET A 84 80.761 73.851 29.504 1.00 23.98 O ATOM 79 CB MET A 84 78.261 72.531 29.545 1.00 26.37 C ATOM 80 CG MET A 84 77.525 71.398 30.260 1.00 27.92 C ATOM 81 SD MET A 84 78.569 70.579 31.491 1.00 28.75 S ATOM 82 CE MET A 84 77.382 70.359 32.807 1.00 30.57 C ATOM 83 HA MET A 84 78.793 73.326 31.463 1.00 0.00 H ATOM 84 HB2 MET A 84 77.639 72.886 28.724 1.00 0.00 H ATOM 85 HB3 MET A 84 79.198 72.141 29.147 1.00 0.00 H ATOM 86 HG2 MET A 84 77.209 70.662 29.521 1.00 0.00 H ATOM 87 HG3 MET A 84 76.648 71.809 30.760 1.00 0.00 H ATOM 88 HE1 MET A 84 77.006 71.332 33.122 1.00 0.00 H ATOM 89 HE2 MET A 84 76.554 69.746 32.449 1.00 0.00 H ATOM 90 HE3 MET A 84 77.864 69.864 33.650 1.00 0.00 H ATOM 91 H MET A 84 76.964 74.956 29.716 1.00 0.00 H ATOM 92 N GLY A 85 79.873 75.779 30.229 1.00 25.19 N ATOM 93 CA GLY A 85 81.053 76.588 29.913 1.00 25.68 C ATOM 94 C GLY A 85 82.264 76.315 30.798 1.00 27.11 C ATOM 95 O GLY A 85 83.393 76.646 30.430 1.00 29.87 O ATOM 96 HA3 GLY A 85 80.784 77.639 30.019 1.00 0.00 H ATOM 97 HA2 GLY A 85 81.335 76.389 28.879 1.00 0.00 H ATOM 98 H GLY A 85 79.038 76.245 30.638 1.00 0.00 H ATOM 99 N SER A 86 82.032 75.718 31.962 1.00 24.90 N ATOM 100 CA SER A 86 83.102 75.371 32.895 1.00 24.85 C ATOM 101 C SER A 86 83.746 74.037 32.535 1.00 24.50 C ATOM 102 O SER A 86 83.065 73.012 32.471 1.00 25.14 O ATOM 103 CB SER A 86 82.562 75.288 34.323 1.00 25.56 C ATOM 104 OG SER A 86 83.483 74.599 35.161 1.00 24.04 O ATOM 105 HA SER A 86 83.855 76.157 32.828 1.00 0.00 H ATOM 106 HB2 SER A 86 81.612 74.754 34.318 1.00 0.00 H ATOM 107 HB3 SER A 86 82.409 76.296 34.709 1.00 0.00 H ATOM 108 HG SER A 86 83.120 74.553 36.081 1.00 0.00 H ATOM 109 H SER A 86 81.051 75.489 32.219 1.00 0.00 H ATOM 110 N GLU A 87 85.062 74.044 32.327 1.00 23.44 N ATOM 111 CA GLU A 87 85.800 72.804 32.054 1.00 23.78 C ATOM 112 C GLU A 87 85.621 71.767 33.163 1.00 25.59 C ATOM 113 O GLU A 87 85.511 70.572 32.876 1.00 24.40 O ATOM 114 CB GLU A 87 87.290 73.082 31.849 1.00 24.85 C ATOM 115 CG GLU A 87 88.062 71.868 31.325 1.00 24.50 C ATOM 116 CD GLU A 87 89.511 72.165 30.999 1.00 27.84 C ATOM 117 OE1 GLU A 87 89.865 73.353 30.822 1.00 29.14 O ATOM 118 OE2 GLU A 87 90.301 71.198 30.924 1.00 26.25 O ATOM 119 HA GLU A 87 85.381 72.393 31.136 1.00 0.00 H ATOM 120 HB2 GLU A 87 87.396 73.896 31.132 1.00 0.00 H ATOM 121 HB3 GLU A 87 87.722 73.382 32.804 1.00 0.00 H ATOM 122 HG2 GLU A 87 88.033 71.087 32.084 1.00 0.00 H ATOM 123 HG3 GLU A 87 87.571 71.512 30.420 1.00 0.00 H ATOM 124 H GLU A 87 85.578 74.947 32.359 1.00 0.00 H ATOM 125 N GLU A 88 85.589 72.221 34.419 1.00 25.48 N ATOM 126 CA GLU A 88 85.442 71.301 35.555 1.00 25.89 C ATOM 127 C GLU A 88 84.080 70.604 35.534 1.00 23.36 C ATOM 128 O GLU A 88 84.001 69.397 35.771 1.00 24.79 O ATOM 129 CB GLU A 88 85.669 72.021 36.891 1.00 27.22 C ATOM 130 CG GLU A 88 85.672 71.109 38.135 1.00 28.14 C ATOM 131 CD GLU A 88 86.950 70.277 38.312 1.00 32.19 C ATOM 132 OE1 GLU A 88 87.128 69.695 39.405 1.00 35.20 O ATOM 133 OE2 GLU A 88 87.777 70.194 37.383 1.00 34.71 O ATOM 134 HA GLU A 88 86.211 70.535 35.455 1.00 0.00 H ATOM 135 HB2 GLU A 88 86.633 72.528 36.842 1.00 0.00 H ATOM 136 HB3 GLU A 88 84.877 72.759 37.016 1.00 0.00 H ATOM 137 HG2 GLU A 88 85.549 71.737 39.018 1.00 0.00 H ATOM 138 HG3 GLU A 88 84.828 70.424 38.057 1.00 0.00 H ATOM 139 H GLU A 88 85.669 73.243 34.596 1.00 0.00 H ATOM 140 N LEU A 89 83.013 71.356 35.259 1.00 23.21 N ATOM 141 CA LEU A 89 81.683 70.759 35.111 1.00 22.66 C ATOM 142 C LEU A 89 81.663 69.766 33.950 1.00 24.75 C ATOM 143 O LEU A 89 81.080 68.686 34.057 1.00 24.21 O ATOM 144 CB LEU A 89 80.599 71.826 34.916 1.00 24.33 C ATOM 145 CG LEU A 89 80.328 72.826 36.049 1.00 23.58 C ATOM 146 CD1 LEU A 89 78.966 73.503 35.846 1.00 23.53 C ATOM 147 CD2 LEU A 89 80.400 72.195 37.416 1.00 23.84 C ATOM 148 HA LEU A 89 81.462 70.226 36.036 1.00 0.00 H ATOM 149 HB2 LEU A 89 80.876 72.407 34.036 1.00 0.00 H ATOM 150 HB3 LEU A 89 79.664 71.300 34.723 1.00 0.00 H ATOM 151 HG LEU A 89 81.118 73.575 36.005 1.00 0.00 H ATOM 152 HD21 LEU A 89 79.657 71.401 37.488 1.00 0.00 H ATOM 153 HD22 LEU A 89 81.395 71.778 37.570 1.00 0.00 H ATOM 154 HD23 LEU A 89 80.200 72.951 38.175 1.00 0.00 H ATOM 155 HD11 LEU A 89 78.964 74.033 34.894 1.00 0.00 H ATOM 156 HD12 LEU A 89 78.182 72.746 35.843 1.00 0.00 H ATOM 157 HD13 LEU A 89 78.788 74.209 36.657 1.00 0.00 H ATOM 158 H LEU A 89 83.127 72.384 35.148 1.00 0.00 H ATOM 159 N ARG A 90 82.312 70.118 32.842 1.00 24.78 N ATOM 160 CA ARG A 90 82.390 69.211 31.704 1.00 24.19 C ATOM 161 C ARG A 90 83.135 67.920 32.069 1.00 22.79 C ATOM 162 O ARG A 90 82.683 66.828 31.734 1.00 24.78 O ATOM 163 CB ARG A 90 83.036 69.897 30.495 1.00 24.59 C ATOM 164 CG ARG A 90 82.194 71.023 29.905 1.00 23.38 C ATOM 165 CD ARG A 90 82.636 71.383 28.490 1.00 24.30 C ATOM 166 NE ARG A 90 84.038 71.805 28.396 1.00 24.86 N ATOM 167 CZ ARG A 90 84.490 73.041 28.612 1.00 25.63 C ATOM 168 NH1 ARG A 90 83.670 74.022 28.954 1.00 25.45 N ATOM 169 NH2 ARG A 90 85.786 73.305 28.489 1.00 24.97 N ATOM 170 HA ARG A 90 81.371 68.938 31.429 1.00 0.00 H ATOM 171 HB2 ARG A 90 83.995 70.311 30.806 1.00 0.00 H ATOM 172 HB3 ARG A 90 83.199 69.147 29.721 1.00 0.00 H ATOM 173 HG2 ARG A 90 81.151 70.707 29.879 1.00 0.00 H ATOM 174 HG3 ARG A 90 82.290 71.904 30.539 1.00 0.00 H ATOM 175 HD2 ARG A 90 82.007 72.197 28.130 1.00 0.00 H ATOM 176 HD3 ARG A 90 82.497 70.509 27.854 1.00 0.00 H ATOM 177 HE ARG A 90 84.738 71.080 28.139 1.00 0.00 H ATOM 178 HH12 ARG A 90 84.044 74.979 29.118 1.00 0.00 H ATOM 179 HH11 ARG A 90 82.652 73.836 29.059 1.00 0.00 H ATOM 180 HH22 ARG A 90 86.139 74.269 28.657 1.00 0.00 H ATOM 181 HH21 ARG A 90 86.448 72.548 28.224 1.00 0.00 H ATOM 182 H ARG A 90 82.768 71.051 32.788 1.00 0.00 H ATOM 183 N LEU A 91 84.249 68.041 32.785 1.00 24.77 N ATOM 184 CA LEU A 91 85.007 66.859 33.208 1.00 23.77 C ATOM 185 C LEU A 91 84.175 65.958 34.122 1.00 23.30 C ATOM 186 O LEU A 91 84.201 64.734 33.984 1.00 25.33 O ATOM 187 CB LEU A 91 86.302 67.265 33.909 1.00 23.02 C ATOM 188 CG LEU A 91 87.263 66.129 34.264 1.00 24.16 C ATOM 189 CD1 LEU A 91 87.515 65.228 33.051 1.00 24.66 C ATOM 190 CD2 LEU A 91 88.574 66.709 34.799 1.00 24.07 C ATOM 191 HA LEU A 91 85.256 66.294 32.310 1.00 0.00 H ATOM 192 HB2 LEU A 91 86.832 67.957 33.254 1.00 0.00 H ATOM 193 HB3 LEU A 91 86.034 67.775 34.834 1.00 0.00 H ATOM 194 HG LEU A 91 86.810 65.514 35.041 1.00 0.00 H ATOM 195 HD21 LEU A 91 89.028 67.341 34.036 1.00 0.00 H ATOM 196 HD22 LEU A 91 88.370 67.302 35.691 1.00 0.00 H ATOM 197 HD23 LEU A 91 89.254 65.895 35.050 1.00 0.00 H ATOM 198 HD11 LEU A 91 86.571 64.798 32.717 1.00 0.00 H ATOM 199 HD12 LEU A 91 87.952 65.819 32.246 1.00 0.00 H ATOM 200 HD13 LEU A 91 88.201 64.429 33.330 1.00 0.00 H ATOM 201 H LEU A 91 84.588 68.988 33.049 1.00 0.00 H ATOM 202 N ALA A 92 83.430 66.570 35.040 1.00 22.82 N ATOM 203 CA ALA A 92 82.559 65.834 35.962 1.00 23.86 C ATOM 204 C ALA A 92 81.521 64.990 35.231 1.00 23.95 C ATOM 205 O ALA A 92 81.141 63.924 35.712 1.00 24.40 O ATOM 206 CB ALA A 92 81.863 66.793 36.914 1.00 24.40 C ATOM 207 HA ALA A 92 83.198 65.155 36.527 1.00 0.00 H ATOM 208 HB1 ALA A 92 82.611 67.338 37.490 1.00 0.00 H ATOM 209 HB2 ALA A 92 81.260 67.498 36.341 1.00 0.00 H ATOM 210 HB3 ALA A 92 81.221 66.229 37.591 1.00 0.00 H ATOM 211 H ALA A 92 83.467 67.607 35.106 1.00 0.00 H ATOM 212 N SER A 93 81.073 65.464 34.069 1.00 24.37 N ATOM 213 CA SER A 93 80.054 64.764 33.282 1.00 26.15 C ATOM 214 C SER A 93 80.522 63.396 32.781 1.00 24.96 C ATOM 215 O SER A 93 79.689 62.546 32.447 1.00 24.78 O ATOM 216 CB SER A 93 79.597 65.626 32.090 1.00 25.95 C ATOM 217 OG SER A 93 80.522 65.573 31.018 1.00 25.25 O ATOM 218 HA SER A 93 79.214 64.593 33.955 1.00 0.00 H ATOM 219 HB2 SER A 93 79.497 66.660 32.420 1.00 0.00 H ATOM 220 HB3 SER A 93 78.631 65.262 31.741 1.00 0.00 H ATOM 221 HG SER A 93 81.401 65.908 31.326 1.00 0.00 H ATOM 222 H SER A 93 81.459 66.360 33.709 1.00 0.00 H ATOM 223 N PHE A 94 81.840 63.180 32.750 1.00 25.24 N ATOM 224 CA PHE A 94 82.427 61.929 32.242 1.00 24.65 C ATOM 225 C PHE A 94 82.597 60.824 33.292 1.00 24.38 C ATOM 226 O PHE A 94 83.351 59.867 33.073 1.00 24.19 O ATOM 227 CB PHE A 94 83.778 62.221 31.574 1.00 26.40 C ATOM 228 CG PHE A 94 83.652 62.935 30.266 1.00 26.50 C ATOM 229 CD1 PHE A 94 83.420 62.226 29.092 1.00 26.91 C ATOM 230 CD2 PHE A 94 83.743 64.316 30.206 1.00 25.96 C ATOM 231 CE1 PHE A 94 83.279 62.886 27.878 1.00 27.12 C ATOM 232 CE2 PHE A 94 83.606 64.984 28.997 1.00 26.59 C ATOM 233 CZ PHE A 94 83.375 64.265 27.829 1.00 27.52 C ATOM 234 HA PHE A 94 81.708 61.541 31.520 1.00 0.00 H ATOM 235 HB2 PHE A 94 84.371 62.838 32.249 1.00 0.00 H ATOM 236 HB3 PHE A 94 84.291 61.275 31.403 1.00 0.00 H ATOM 237 HD2 PHE A 94 83.924 64.884 31.118 1.00 0.00 H ATOM 238 HE2 PHE A 94 83.679 66.071 28.963 1.00 0.00 H ATOM 239 HZ PHE A 94 83.270 64.787 26.878 1.00 0.00 H ATOM 240 HE1 PHE A 94 83.093 62.319 26.966 1.00 0.00 H ATOM 241 HD1 PHE A 94 83.348 61.139 29.125 1.00 0.00 H ATOM 242 H PHE A 94 82.477 63.925 33.098 1.00 0.00 H ATOM 243 N TYR A 95 81.886 60.918 34.414 1.00 22.80 N ATOM 244 CA TYR A 95 82.079 59.948 35.492 1.00 24.26 C ATOM 245 C TYR A 95 81.823 58.500 35.061 1.00 24.02 C ATOM 246 O TYR A 95 82.452 57.589 35.592 1.00 25.01 O ATOM 247 CB TYR A 95 81.253 60.306 36.735 1.00 24.94 C ATOM 248 CG TYR A 95 79.759 60.109 36.622 1.00 25.42 C ATOM 249 CD1 TYR A 95 79.179 58.867 36.872 1.00 25.02 C ATOM 250 CD2 TYR A 95 78.919 61.172 36.310 1.00 25.01 C ATOM 251 CE1 TYR A 95 77.802 58.688 36.786 1.00 25.15 C ATOM 252 CE2 TYR A 95 77.540 61.000 36.222 1.00 25.33 C ATOM 253 CZ TYR A 95 76.991 59.760 36.459 1.00 25.14 C ATOM 254 OH TYR A 95 75.626 59.586 36.382 1.00 27.06 O ATOM 255 HA TYR A 95 83.135 60.009 35.755 1.00 0.00 H ATOM 256 HB3 TYR A 95 81.434 61.356 36.964 1.00 0.00 H ATOM 257 HB2 TYR A 95 81.609 59.689 37.560 1.00 0.00 H ATOM 258 HD2 TYR A 95 79.348 62.158 36.131 1.00 0.00 H ATOM 259 HE2 TYR A 95 76.898 61.843 35.967 1.00 0.00 H ATOM 260 HE1 TYR A 95 77.364 57.708 36.975 1.00 0.00 H ATOM 261 HD1 TYR A 95 79.814 58.022 37.139 1.00 0.00 H ATOM 262 HH TYR A 95 75.403 58.642 36.579 1.00 0.00 H ATOM 263 H TYR A 95 81.191 61.684 34.524 1.00 0.00 H ATOM 264 N ASP A 96 80.916 58.298 34.105 1.00 25.13 N ATOM 265 CA ASP A 96 80.609 56.960 33.590 1.00 26.21 C ATOM 266 C ASP A 96 80.977 56.829 32.102 1.00 27.63 C ATOM 267 O ASP A 96 80.322 56.108 31.345 1.00 26.13 O ATOM 268 CB ASP A 96 79.123 56.647 33.818 1.00 27.03 C ATOM 269 CG ASP A 96 78.838 55.155 33.949 1.00 30.28 C ATOM 270 OD1 ASP A 96 79.726 54.388 34.394 1.00 29.71 O ATOM 271 OD2 ASP A 96 77.703 54.751 33.621 1.00 35.40 O ATOM 272 HA ASP A 96 81.213 56.234 34.134 1.00 0.00 H ATOM 273 HB2 ASP A 96 78.800 57.144 34.733 1.00 0.00 H ATOM 274 HB3 ASP A 96 78.553 57.036 32.974 1.00 0.00 H ATOM 275 H ASP A 96 80.409 59.117 33.711 1.00 0.00 H ATOM 276 N TRP A 97 82.036 57.522 31.693 1.00 24.21 N ATOM 277 CA TRP A 97 82.557 57.427 30.322 1.00 25.05 C ATOM 278 C TRP A 97 83.104 56.011 30.070 1.00 23.47 C ATOM 279 O TRP A 97 83.870 55.498 30.889 1.00 23.93 O ATOM 280 CB TRP A 97 83.656 58.480 30.135 1.00 23.98 C ATOM 281 CG TRP A 97 84.305 58.539 28.778 1.00 24.30 C ATOM 282 CD1 TRP A 97 85.610 58.260 28.491 1.00 24.92 C ATOM 283 CD2 TRP A 97 83.698 58.936 27.537 1.00 23.69 C ATOM 284 NE1 TRP A 97 85.852 58.449 27.150 1.00 24.13 N ATOM 285 CE2 TRP A 97 84.697 58.859 26.541 1.00 24.54 C ATOM 286 CE3 TRP A 97 82.412 59.346 27.170 1.00 24.75 C ATOM 287 CZ2 TRP A 97 84.449 59.171 25.201 1.00 25.64 C ATOM 288 CZ3 TRP A 97 82.163 59.660 25.836 1.00 24.95 C ATOM 289 CH2 TRP A 97 83.180 59.570 24.868 1.00 25.64 C ATOM 290 HA TRP A 97 81.760 57.615 29.603 1.00 0.00 H ATOM 291 HB2 TRP A 97 83.216 59.457 30.335 1.00 0.00 H ATOM 292 HB3 TRP A 97 84.437 58.278 30.868 1.00 0.00 H ATOM 293 HE1 TRP A 97 86.766 58.304 26.675 1.00 0.00 H ATOM 294 HD1 TRP A 97 86.353 57.934 29.219 1.00 0.00 H ATOM 295 HZ2 TRP A 97 85.235 59.100 24.449 1.00 0.00 H ATOM 296 HH2 TRP A 97 82.955 59.823 23.832 1.00 0.00 H ATOM 297 HZ3 TRP A 97 81.165 59.980 25.537 1.00 0.00 H ATOM 298 HE3 TRP A 97 81.619 59.418 27.914 1.00 0.00 H ATOM 299 H TRP A 97 82.513 58.154 32.368 1.00 0.00 H ATOM 300 N PRO A 98 82.689 55.364 28.960 1.00 24.00 N ATOM 301 CA PRO A 98 83.128 53.989 28.684 1.00 23.90 C ATOM 302 C PRO A 98 84.500 53.834 28.028 1.00 23.77 C ATOM 303 O PRO A 98 84.965 52.704 27.893 1.00 24.16 O ATOM 304 CB PRO A 98 82.048 53.469 27.728 1.00 23.88 C ATOM 305 CG PRO A 98 81.601 54.669 26.988 1.00 23.04 C ATOM 306 CD PRO A 98 81.756 55.850 27.925 1.00 24.81 C ATOM 307 HA PRO A 98 83.243 53.450 29.625 1.00 0.00 H ATOM 308 HD3 PRO A 98 82.173 56.710 27.400 1.00 0.00 H ATOM 309 HD2 PRO A 98 80.797 56.124 28.365 1.00 0.00 H ATOM 310 HG3 PRO A 98 80.558 54.560 26.692 1.00 0.00 H ATOM 311 HG2 PRO A 98 82.216 54.812 26.100 1.00 0.00 H ATOM 312 HB2 PRO A 98 82.462 52.727 27.045 1.00 0.00 H ATOM 313 HB3 PRO A 98 81.221 53.028 28.284 1.00 0.00 H ATOM 314 N LEU A 99 85.137 54.937 27.634 1.00 22.73 N ATOM 315 CA LEU A 99 86.386 54.890 26.864 1.00 23.27 C ATOM 316 C LEU A 99 87.537 55.668 27.530 1.00 25.22 C ATOM 317 O LEU A 99 88.259 56.415 26.865 1.00 23.23 O ATOM 318 CB LEU A 99 86.133 55.433 25.451 1.00 24.32 C ATOM 319 CG LEU A 99 85.107 54.682 24.598 1.00 25.27 C ATOM 320 CD1 LEU A 99 84.743 55.483 23.354 1.00 28.37 C ATOM 321 CD2 LEU A 99 85.627 53.303 24.221 1.00 26.16 C ATOM 322 HA LEU A 99 86.700 53.847 26.822 1.00 0.00 H ATOM 323 HB2 LEU A 99 85.790 56.463 25.549 1.00 0.00 H ATOM 324 HB3 LEU A 99 87.083 55.417 24.916 1.00 0.00 H ATOM 325 HG LEU A 99 84.202 54.554 25.192 1.00 0.00 H ATOM 326 HD21 LEU A 99 86.550 53.408 23.651 1.00 0.00 H ATOM 327 HD22 LEU A 99 85.820 52.729 25.127 1.00 0.00 H ATOM 328 HD23 LEU A 99 84.881 52.788 23.615 1.00 0.00 H ATOM 329 HD11 LEU A 99 84.317 56.441 23.652 1.00 0.00 H ATOM 330 HD12 LEU A 99 85.639 55.652 22.757 1.00 0.00 H ATOM 331 HD13 LEU A 99 84.013 54.927 22.766 1.00 0.00 H ATOM 332 H LEU A 99 84.735 55.864 27.881 1.00 0.00 H ATOM 333 N THR A 100 87.732 55.459 28.830 1.00 24.25 N ATOM 334 CA THR A 100 88.725 56.230 29.599 1.00 26.49 C ATOM 335 C THR A 100 90.128 56.212 28.978 1.00 24.40 C ATOM 336 O THR A 100 90.718 57.267 28.755 1.00 24.49 O ATOM 337 CB THR A 100 88.817 55.738 31.059 1.00 31.27 C ATOM 338 OG1 THR A 100 87.542 55.905 31.692 1.00 35.87 O ATOM 339 CG2 THR A 100 89.863 56.541 31.833 1.00 29.82 C ATOM 340 HA THR A 100 88.364 57.258 29.576 1.00 0.00 H ATOM 341 HB THR A 100 89.107 54.687 31.057 1.00 0.00 H ATOM 342 HG1 THR A 100 86.861 55.377 31.204 1.00 0.00 H ATOM 343 HG23 THR A 100 90.837 56.420 31.358 1.00 0.00 H ATOM 344 HG21 THR A 100 89.585 57.595 31.831 1.00 0.00 H ATOM 345 HG22 THR A 100 89.910 56.179 32.860 1.00 0.00 H ATOM 346 H THR A 100 87.169 54.732 29.316 1.00 0.00 H ATOM 347 N ALA A 101 90.652 55.019 28.705 1.00 23.47 N ATOM 348 CA ALA A 101 91.999 54.880 28.129 1.00 23.79 C ATOM 349 C ALA A 101 92.038 55.355 26.679 1.00 25.46 C ATOM 350 O ALA A 101 92.989 56.021 26.256 1.00 27.50 O ATOM 351 CB ALA A 101 92.476 53.424 28.225 1.00 22.50 C ATOM 352 HA ALA A 101 92.673 55.512 28.707 1.00 0.00 H ATOM 353 HB1 ALA A 101 92.504 53.121 29.272 1.00 0.00 H ATOM 354 HB2 ALA A 101 91.787 52.781 27.677 1.00 0.00 H ATOM 355 HB3 ALA A 101 93.474 53.341 27.794 1.00 0.00 H ATOM 356 H ALA A 101 90.095 54.163 28.904 1.00 0.00 H ATOM 357 N GLU A 102 90.981 55.040 25.937 1.00 24.11 N ATOM 358 CA GLU A 102 90.945 55.241 24.489 1.00 25.01 C ATOM 359 C GLU A 102 90.826 56.706 24.090 1.00 24.66 C ATOM 360 O GLU A 102 91.510 57.157 23.170 1.00 24.95 O ATOM 361 CB GLU A 102 89.795 54.437 23.871 1.00 24.94 C ATOM 362 CG GLU A 102 89.954 52.926 23.989 1.00 24.24 C ATOM 363 CD GLU A 102 89.419 52.354 25.297 1.00 26.48 C ATOM 364 OE1 GLU A 102 89.386 51.121 25.412 1.00 29.49 O ATOM 365 OE2 GLU A 102 89.030 53.122 26.207 1.00 23.67 O ATOM 366 HA GLU A 102 91.900 54.884 24.103 1.00 0.00 H ATOM 367 HB2 GLU A 102 88.870 54.724 24.371 1.00 0.00 H ATOM 368 HB3 GLU A 102 89.729 54.692 22.813 1.00 0.00 H ATOM 369 HG2 GLU A 102 89.418 52.458 23.163 1.00 0.00 H ATOM 370 HG3 GLU A 102 91.014 52.684 23.916 1.00 0.00 H ATOM 371 H GLU A 102 90.146 54.634 26.405 1.00 0.00 H ATOM 372 N VAL A 103 89.942 57.434 24.770 1.00 25.16 N ATOM 373 CA VAL A 103 89.746 58.861 24.535 1.00 24.74 C ATOM 374 C VAL A 103 89.532 59.529 25.893 1.00 25.25 C ATOM 375 O VAL A 103 88.412 59.544 26.405 1.00 25.17 O ATOM 376 CB VAL A 103 88.530 59.135 23.615 1.00 27.34 C ATOM 377 CG1 VAL A 103 88.404 60.632 23.329 1.00 26.21 C ATOM 378 CG2 VAL A 103 88.656 58.356 22.311 1.00 27.43 C ATOM 379 HA VAL A 103 90.623 59.265 24.029 1.00 0.00 H ATOM 380 HB VAL A 103 87.629 58.801 24.130 1.00 0.00 H ATOM 381 HG11 VAL A 103 88.268 61.170 24.267 1.00 0.00 H ATOM 382 HG12 VAL A 103 89.310 60.984 22.835 1.00 0.00 H ATOM 383 HG13 VAL A 103 87.545 60.806 22.681 1.00 0.00 H ATOM 384 HG21 VAL A 103 89.566 58.660 21.794 1.00 0.00 H ATOM 385 HG22 VAL A 103 88.700 57.289 22.529 1.00 0.00 H ATOM 386 HG23 VAL A 103 87.791 58.563 21.680 1.00 0.00 H ATOM 387 H VAL A 103 89.367 56.966 25.499 1.00 0.00 H ATOM 388 N PRO A 104 90.616 60.038 26.503 1.00 25.62 N ATOM 389 CA PRO A 104 90.558 60.580 27.862 1.00 24.53 C ATOM 390 C PRO A 104 89.538 61.703 28.069 1.00 25.48 C ATOM 391 O PRO A 104 89.521 62.671 27.303 1.00 24.62 O ATOM 392 CB PRO A 104 91.979 61.101 28.094 1.00 26.02 C ATOM 393 CG PRO A 104 92.831 60.324 27.163 1.00 26.46 C ATOM 394 CD PRO A 104 91.985 60.084 25.956 1.00 25.99 C ATOM 395 HA PRO A 104 90.229 59.812 28.562 1.00 0.00 H ATOM 396 HD3 PRO A 104 92.091 60.896 25.237 1.00 0.00 H ATOM 397 HD2 PRO A 104 92.246 59.140 25.477 1.00 0.00 H ATOM 398 HG3 PRO A 104 93.127 59.378 27.616 1.00 0.00 H ATOM 399 HG2 PRO A 104 93.722 60.892 26.897 1.00 0.00 H ATOM 400 HB2 PRO A 104 92.038 62.166 27.869 1.00 0.00 H ATOM 401 HB3 PRO A 104 92.286 60.931 29.126 1.00 0.00 H ATOM 402 N PRO A 105 88.686 61.573 29.102 1.00 26.37 N ATOM 403 CA PRO A 105 87.785 62.650 29.521 1.00 25.49 C ATOM 404 C PRO A 105 88.466 64.007 29.669 1.00 24.39 C ATOM 405 O PRO A 105 87.878 65.027 29.317 1.00 25.68 O ATOM 406 CB PRO A 105 87.290 62.165 30.886 1.00 27.83 C ATOM 407 CG PRO A 105 87.279 60.698 30.760 1.00 28.95 C ATOM 408 CD PRO A 105 88.497 60.367 29.929 1.00 26.78 C ATOM 409 HA PRO A 105 87.005 62.821 28.779 1.00 0.00 H ATOM 410 HD3 PRO A 105 89.365 60.189 30.563 1.00 0.00 H ATOM 411 HD2 PRO A 105 88.318 59.491 29.306 1.00 0.00 H ATOM 412 HG3 PRO A 105 86.371 60.363 30.259 1.00 0.00 H ATOM 413 HG2 PRO A 105 87.345 60.228 31.741 1.00 0.00 H ATOM 414 HB2 PRO A 105 87.968 62.481 31.679 1.00 0.00 H ATOM 415 HB3 PRO A 105 86.289 62.544 31.093 1.00 0.00 H ATOM 416 N GLU A 106 89.693 64.017 30.187 1.00 24.55 N ATOM 417 CA GLU A 106 90.432 65.263 30.387 1.00 25.19 C ATOM 418 C GLU A 106 90.627 66.008 29.064 1.00 26.26 C ATOM 419 O GLU A 106 90.493 67.234 29.010 1.00 24.15 O ATOM 420 CB GLU A 106 91.791 64.994 31.043 1.00 25.77 C ATOM 421 CG GLU A 106 91.723 64.634 32.531 1.00 26.18 C ATOM 422 CD GLU A 106 91.394 63.170 32.811 1.00 26.87 C ATOM 423 OE1 GLU A 106 91.396 62.805 34.000 1.00 29.20 O ATOM 424 OE2 GLU A 106 91.140 62.387 31.868 1.00 23.69 O ATOM 425 HA GLU A 106 89.841 65.892 31.053 1.00 0.00 H ATOM 426 HB2 GLU A 106 92.266 64.167 30.515 1.00 0.00 H ATOM 427 HB3 GLU A 106 92.403 65.890 30.938 1.00 0.00 H ATOM 428 HG2 GLU A 106 92.690 64.859 32.981 1.00 0.00 H ATOM 429 HG3 GLU A 106 90.955 65.251 32.997 1.00 0.00 H ATOM 430 H GLU A 106 90.137 63.116 30.456 1.00 0.00 H ATOM 431 N LEU A 107 90.928 65.262 28.000 1.00 26.10 N ATOM 432 CA LEU A 107 91.111 65.859 26.681 1.00 25.78 C ATOM 433 C LEU A 107 89.772 66.309 26.087 1.00 26.29 C ATOM 434 O LEU A 107 89.683 67.392 25.496 1.00 24.59 O ATOM 435 CB LEU A 107 91.828 64.889 25.742 1.00 26.07 C ATOM 436 CG LEU A 107 93.254 64.498 26.156 1.00 25.90 C ATOM 437 CD1 LEU A 107 93.865 63.541 25.143 1.00 23.96 C ATOM 438 CD2 LEU A 107 94.158 65.724 26.335 1.00 27.14 C ATOM 439 HA LEU A 107 91.737 66.744 26.797 1.00 0.00 H ATOM 440 HB2 LEU A 107 91.234 63.977 25.683 1.00 0.00 H ATOM 441 HB3 LEU A 107 91.879 65.352 24.756 1.00 0.00 H ATOM 442 HG LEU A 107 93.181 63.997 27.121 1.00 0.00 H ATOM 443 HD21 LEU A 107 94.215 66.272 25.395 1.00 0.00 H ATOM 444 HD22 LEU A 107 93.743 66.370 27.109 1.00 0.00 H ATOM 445 HD23 LEU A 107 95.156 65.398 26.628 1.00 0.00 H ATOM 446 HD11 LEU A 107 93.255 62.639 25.083 1.00 0.00 H ATOM 447 HD12 LEU A 107 93.901 64.023 24.166 1.00 0.00 H ATOM 448 HD13 LEU A 107 94.875 63.278 25.457 1.00 0.00 H ATOM 449 H LEU A 107 91.034 64.234 28.113 1.00 0.00 H ATOM 450 N LEU A 108 88.735 65.490 26.264 1.00 24.44 N ATOM 451 CA LEU A 108 87.393 65.828 25.782 1.00 24.81 C ATOM 452 C LEU A 108 86.866 67.102 26.444 1.00 25.98 C ATOM 453 O LEU A 108 86.394 68.011 25.755 1.00 27.00 O ATOM 454 CB LEU A 108 86.420 64.667 26.008 1.00 24.80 C ATOM 455 CG LEU A 108 86.646 63.448 25.093 1.00 24.68 C ATOM 456 CD1 LEU A 108 86.146 62.167 25.730 1.00 23.73 C ATOM 457 CD2 LEU A 108 85.989 63.657 23.735 1.00 25.28 C ATOM 458 HA LEU A 108 87.469 66.012 24.710 1.00 0.00 H ATOM 459 HB2 LEU A 108 86.518 64.338 27.042 1.00 0.00 H ATOM 460 HB3 LEU A 108 85.408 65.035 25.840 1.00 0.00 H ATOM 461 HG LEU A 108 87.722 63.350 24.948 1.00 0.00 H ATOM 462 HD21 LEU A 108 84.917 63.800 23.870 1.00 0.00 H ATOM 463 HD22 LEU A 108 86.417 64.538 23.257 1.00 0.00 H ATOM 464 HD23 LEU A 108 86.164 62.782 23.110 1.00 0.00 H ATOM 465 HD11 LEU A 108 86.678 61.997 26.666 1.00 0.00 H ATOM 466 HD12 LEU A 108 85.078 62.254 25.928 1.00 0.00 H ATOM 467 HD13 LEU A 108 86.324 61.332 25.052 1.00 0.00 H ATOM 468 H LEU A 108 88.882 64.587 26.758 1.00 0.00 H ATOM 469 N ALA A 109 86.961 67.168 27.771 1.00 25.80 N ATOM 470 CA ALA A 109 86.494 68.342 28.529 1.00 26.33 C ATOM 471 C ALA A 109 87.256 69.606 28.129 1.00 24.59 C ATOM 472 O ALA A 109 86.651 70.661 27.921 1.00 24.72 O ATOM 473 CB ALA A 109 86.613 68.096 30.036 1.00 25.41 C ATOM 474 HA ALA A 109 85.443 68.496 28.284 1.00 0.00 H ATOM 475 HB1 ALA A 109 86.005 67.234 30.311 1.00 0.00 H ATOM 476 HB2 ALA A 109 87.655 67.904 30.290 1.00 0.00 H ATOM 477 HB3 ALA A 109 86.263 68.976 30.575 1.00 0.00 H ATOM 478 H ALA A 109 87.377 66.367 28.287 1.00 0.00 H ATOM 479 N ALA A 110 88.576 69.490 27.998 1.00 25.11 N ATOM 480 CA ALA A 110 89.416 70.619 27.589 1.00 25.89 C ATOM 481 C ALA A 110 89.008 71.147 26.212 1.00 26.84 C ATOM 482 O ALA A 110 89.091 72.350 25.950 1.00 26.33 O ATOM 483 CB ALA A 110 90.894 70.218 27.595 1.00 25.98 C ATOM 484 HA ALA A 110 89.269 71.423 28.311 1.00 0.00 H ATOM 485 HB1 ALA A 110 91.181 69.908 28.600 1.00 0.00 H ATOM 486 HB2 ALA A 110 91.048 69.392 26.901 1.00 0.00 H ATOM 487 HB3 ALA A 110 91.501 71.070 27.289 1.00 0.00 H ATOM 488 H ALA A 110 89.024 68.572 28.192 1.00 0.00 H ATOM 489 N ALA A 111 88.538 70.248 25.350 1.00 26.26 N ATOM 490 CA ALA A 111 88.140 70.600 23.984 1.00 25.95 C ATOM 491 C ALA A 111 86.679 71.053 23.876 1.00 27.05 C ATOM 492 O ALA A 111 86.147 71.187 22.772 1.00 26.50 O ATOM 493 CB ALA A 111 88.422 69.439 23.041 1.00 23.96 C ATOM 494 HA ALA A 111 88.742 71.459 23.690 1.00 0.00 H ATOM 495 HB1 ALA A 111 89.488 69.211 23.056 1.00 0.00 H ATOM 496 HB2 ALA A 111 87.857 68.564 23.364 1.00 0.00 H ATOM 497 HB3 ALA A 111 88.122 69.713 22.030 1.00 0.00 H ATOM 498 H ALA A 111 88.450 69.258 25.657 1.00 0.00 H ATOM 499 N GLY A 112 86.044 71.307 25.021 1.00 27.49 N ATOM 500 CA GLY A 112 84.701 71.872 25.062 1.00 26.67 C ATOM 501 C GLY A 112 83.566 70.873 25.191 1.00 26.52 C ATOM 502 O GLY A 112 82.401 71.274 25.244 1.00 25.95 O ATOM 503 HA3 GLY A 112 84.547 72.436 24.142 1.00 0.00 H ATOM 504 HA2 GLY A 112 84.649 72.549 25.915 1.00 0.00 H ATOM 505 H GLY A 112 86.525 71.094 25.918 1.00 0.00 H ATOM 506 N PHE A 113 83.896 69.581 25.249 1.00 26.35 N ATOM 507 CA PHE A 113 82.882 68.525 25.207 1.00 26.36 C ATOM 508 C PHE A 113 82.463 68.059 26.594 1.00 25.98 C ATOM 509 O PHE A 113 83.289 67.962 27.506 1.00 25.60 O ATOM 510 CB PHE A 113 83.377 67.312 24.408 1.00 27.20 C ATOM 511 CG PHE A 113 83.701 67.620 22.976 1.00 26.41 C ATOM 512 CD1 PHE A 113 82.690 67.919 22.072 1.00 28.14 C ATOM 513 CD2 PHE A 113 85.017 67.617 22.527 1.00 28.19 C ATOM 514 CE1 PHE A 113 82.979 68.205 20.740 1.00 27.27 C ATOM 515 CE2 PHE A 113 85.314 67.901 21.194 1.00 28.77 C ATOM 516 CZ PHE A 113 84.292 68.202 20.303 1.00 28.10 C ATOM 517 HA PHE A 113 82.015 68.966 24.715 1.00 0.00 H ATOM 518 HB2 PHE A 113 84.276 66.927 24.889 1.00 0.00 H ATOM 519 HB3 PHE A 113 82.601 66.547 24.428 1.00 0.00 H ATOM 520 HD2 PHE A 113 85.824 67.391 23.223 1.00 0.00 H ATOM 521 HE2 PHE A 113 86.349 67.887 20.851 1.00 0.00 H ATOM 522 HZ PHE A 113 84.523 68.435 19.264 1.00 0.00 H ATOM 523 HE1 PHE A 113 82.172 68.431 20.043 1.00 0.00 H ATOM 524 HD1 PHE A 113 81.654 67.930 22.410 1.00 0.00 H ATOM 525 H PHE A 113 84.899 69.317 25.326 1.00 0.00 H ATOM 526 N PHE A 114 81.172 67.769 26.737 1.00 27.03 N ATOM 527 CA PHE A 114 80.655 67.056 27.902 1.00 25.54 C ATOM 528 C PHE A 114 80.005 65.763 27.426 1.00 26.72 C ATOM 529 O PHE A 114 79.557 65.673 26.280 1.00 26.95 O ATOM 530 CB PHE A 114 79.647 67.914 28.681 1.00 25.56 C ATOM 531 CG PHE A 114 78.442 68.331 27.873 1.00 26.34 C ATOM 532 CD1 PHE A 114 77.336 67.497 27.769 1.00 24.23 C ATOM 533 CD2 PHE A 114 78.417 69.558 27.219 1.00 25.41 C ATOM 534 CE1 PHE A 114 76.221 67.878 27.030 1.00 25.39 C ATOM 535 CE2 PHE A 114 77.311 69.944 26.474 1.00 26.42 C ATOM 536 CZ PHE A 114 76.208 69.098 26.380 1.00 25.45 C ATOM 537 HA PHE A 114 81.477 66.833 28.582 1.00 0.00 H ATOM 538 HB2 PHE A 114 79.302 67.341 29.541 1.00 0.00 H ATOM 539 HB3 PHE A 114 80.157 68.814 29.026 1.00 0.00 H ATOM 540 HD2 PHE A 114 79.276 70.225 27.292 1.00 0.00 H ATOM 541 HE2 PHE A 114 77.306 70.907 25.964 1.00 0.00 H ATOM 542 HZ PHE A 114 75.338 69.397 25.796 1.00 0.00 H ATOM 543 HE1 PHE A 114 75.358 67.215 26.963 1.00 0.00 H ATOM 544 HD1 PHE A 114 77.342 66.531 28.273 1.00 0.00 H ATOM 545 H PHE A 114 80.507 68.061 25.992 1.00 0.00 H ATOM 546 N HIS A 115 79.954 64.773 28.314 1.00 26.48 N ATOM 547 CA HIS A 115 79.315 63.497 28.031 1.00 26.02 C ATOM 548 C HIS A 115 77.802 63.627 28.187 1.00 26.83 C ATOM 549 O HIS A 115 77.311 64.083 29.223 1.00 26.08 O ATOM 550 CB HIS A 115 79.845 62.423 28.986 1.00 25.96 C ATOM 551 CG HIS A 115 79.428 61.028 28.630 1.00 26.43 C ATOM 552 ND1 HIS A 115 79.321 60.025 29.568 1.00 25.60 N ATOM 553 CD2 HIS A 115 79.083 60.473 27.444 1.00 23.58 C ATOM 554 CE1 HIS A 115 78.940 58.907 28.974 1.00 26.68 C ATOM 555 NE2 HIS A 115 78.785 59.153 27.685 1.00 24.80 N ATOM 556 HA HIS A 115 79.544 63.206 27.006 1.00 0.00 H ATOM 557 HB2 HIS A 115 80.934 62.467 28.981 1.00 0.00 H ATOM 558 HB3 HIS A 115 79.479 62.645 29.988 1.00 0.00 H ATOM 559 HD2 HIS A 115 79.048 60.978 26.479 1.00 0.00 H ATOM 560 HE1 HIS A 115 78.781 57.946 29.464 1.00 0.00 H ATOM 561 H HIS A 115 80.388 64.917 29.248 1.00 0.00 H ATOM 562 N THR A 116 77.061 63.213 27.164 1.00 26.01 N ATOM 563 CA THR A 116 75.604 63.255 27.223 1.00 24.96 C ATOM 564 C THR A 116 75.046 62.210 28.184 1.00 25.96 C ATOM 565 O THR A 116 73.907 62.321 28.622 1.00 28.46 O ATOM 566 CB THR A 116 74.950 63.031 25.841 1.00 25.50 C ATOM 567 OG1 THR A 116 75.171 61.681 25.417 1.00 25.66 O ATOM 568 CG2 THR A 116 75.495 64.004 24.809 1.00 26.77 C ATOM 569 HA THR A 116 75.360 64.256 27.578 1.00 0.00 H ATOM 570 HB THR A 116 73.879 63.211 25.934 1.00 0.00 H ATOM 571 HG1 THR A 116 76.144 61.512 25.352 1.00 0.00 H ATOM 572 HG23 THR A 116 75.319 65.026 25.146 1.00 0.00 H ATOM 573 HG21 THR A 116 76.566 63.840 24.686 1.00 0.00 H ATOM 574 HG22 THR A 116 74.990 63.842 23.857 1.00 0.00 H ATOM 575 H THR A 116 77.528 62.853 26.307 1.00 0.00 H ATOM 576 N GLY A 117 75.846 61.191 28.489 1.00 26.19 N ATOM 577 CA GLY A 117 75.426 60.092 29.348 1.00 26.18 C ATOM 578 C GLY A 117 74.914 58.893 28.572 1.00 26.85 C ATOM 579 O GLY A 117 74.618 57.855 29.164 1.00 26.83 O ATOM 580 HA3 GLY A 117 74.630 60.447 30.003 1.00 0.00 H ATOM 581 HA2 GLY A 117 76.278 59.777 29.951 1.00 0.00 H ATOM 582 H GLY A 117 76.810 61.179 28.098 1.00 0.00 H ATOM 583 N HIS A 118 74.806 59.031 27.250 1.00 26.65 N ATOM 584 CA HIS A 118 74.347 57.947 26.384 1.00 27.41 C ATOM 585 C HIS A 118 75.481 57.477 25.471 1.00 27.18 C ATOM 586 O HIS A 118 76.061 58.272 24.729 1.00 25.30 O ATOM 587 CB HIS A 118 73.141 58.396 25.553 1.00 29.37 C ATOM 588 CG HIS A 118 71.881 58.545 26.348 1.00 30.84 C ATOM 589 ND1 HIS A 118 70.791 59.256 25.892 1.00 30.44 N ATOM 590 CD2 HIS A 118 71.539 58.076 27.572 1.00 31.79 C ATOM 591 CE1 HIS A 118 69.830 59.211 26.797 1.00 31.58 C ATOM 592 NE2 HIS A 118 70.259 58.502 27.827 1.00 31.52 N ATOM 593 HA HIS A 118 74.039 57.111 27.012 1.00 0.00 H ATOM 594 HB2 HIS A 118 73.376 59.358 25.098 1.00 0.00 H ATOM 595 HB3 HIS A 118 72.968 57.657 24.770 1.00 0.00 H ATOM 596 HD2 HIS A 118 72.163 57.473 28.231 1.00 0.00 H ATOM 597 HE1 HIS A 118 68.850 59.679 26.709 1.00 0.00 H ATOM 598 H HIS A 118 75.058 59.944 26.819 1.00 0.00 H ATOM 599 N GLN A 119 75.800 56.185 25.548 1.00 26.44 N ATOM 600 CA GLN A 119 76.892 55.598 24.769 1.00 27.06 C ATOM 601 C GLN A 119 78.149 56.478 24.891 1.00 27.44 C ATOM 602 O GLN A 119 78.484 56.910 25.998 1.00 25.88 O ATOM 603 CB GLN A 119 76.455 55.381 23.312 1.00 27.81 C ATOM 604 CG GLN A 119 75.230 54.472 23.150 1.00 29.83 C ATOM 605 CD GLN A 119 73.907 55.189 23.383 1.00 31.64 C ATOM 606 OE1 GLN A 119 73.676 56.282 22.862 1.00 31.37 O ATOM 607 NE2 GLN A 119 73.025 54.566 24.161 1.00 32.01 N ATOM 608 HA GLN A 119 77.144 54.615 25.167 1.00 0.00 H ATOM 609 HB2 GLN A 119 76.220 56.353 22.877 1.00 0.00 H ATOM 610 HB3 GLN A 119 77.287 54.933 22.769 1.00 0.00 H ATOM 611 HG2 GLN A 119 75.231 54.069 22.137 1.00 0.00 H ATOM 612 HG3 GLN A 119 75.310 53.654 23.866 1.00 0.00 H ATOM 613 HE22 GLN A 119 73.262 53.644 24.581 1.00 0.00 H ATOM 614 HE21 GLN A 119 72.099 55.001 24.349 1.00 0.00 H ATOM 615 H GLN A 119 75.253 55.571 26.185 1.00 0.00 H ATOM 616 N ASP A 120 78.834 56.751 23.778 1.00 27.31 N ATOM 617 CA ASP A 120 79.992 57.645 23.784 1.00 25.13 C ATOM 618 C ASP A 120 79.668 59.002 23.142 1.00 24.59 C ATOM 619 O ASP A 120 80.559 59.702 22.645 1.00 24.90 O ATOM 620 CB ASP A 120 81.202 56.982 23.105 1.00 26.05 C ATOM 621 CG ASP A 120 80.983 56.696 21.623 1.00 25.58 C ATOM 622 OD1 ASP A 120 79.845 56.829 21.122 1.00 23.37 O ATOM 623 OD2 ASP A 120 81.973 56.328 20.957 1.00 24.16 O ATOM 624 HA ASP A 120 80.252 57.836 24.825 1.00 0.00 H ATOM 625 HB2 ASP A 120 82.061 57.645 23.206 1.00 0.00 H ATOM 626 HB3 ASP A 120 81.410 56.040 23.612 1.00 0.00 H ATOM 627 H ASP A 120 78.536 56.316 22.882 1.00 0.00 H ATOM 628 N LYS A 121 78.391 59.375 23.187 1.00 23.24 N ATOM 629 CA LYS A 121 77.929 60.639 22.634 1.00 24.16 C ATOM 630 C LYS A 121 78.372 61.791 23.518 1.00 25.02 C ATOM 631 O LYS A 121 78.060 61.823 24.712 1.00 24.98 O ATOM 632 CB LYS A 121 76.405 60.650 22.510 1.00 26.33 C ATOM 633 CG LYS A 121 75.854 59.719 21.447 1.00 26.28 C ATOM 634 CD LYS A 121 74.352 59.515 21.617 1.00 26.05 C ATOM 635 CE LYS A 121 73.735 58.788 20.436 1.00 27.61 C ATOM 636 NZ LYS A 121 74.088 57.341 20.386 1.00 28.53 N ATOM 637 HA LYS A 121 78.365 60.755 21.642 1.00 0.00 H ATOM 638 HB2 LYS A 121 75.983 60.357 23.471 1.00 0.00 H ATOM 639 HB3 LYS A 121 76.090 61.666 22.270 1.00 0.00 H ATOM 640 HG2 LYS A 121 76.046 60.149 20.464 1.00 0.00 H ATOM 641 HG3 LYS A 121 76.355 58.754 21.525 1.00 0.00 H ATOM 642 HD2 LYS A 121 74.177 58.930 22.520 1.00 0.00 H ATOM 643 HD3 LYS A 121 73.874 60.489 21.718 1.00 0.00 H ATOM 644 HE2 LYS A 121 74.083 59.261 19.518 1.00 0.00 H ATOM 645 HE3 LYS A 121 72.651 58.878 20.502 1.00 0.00 H ATOM 646 HZ1 LYS A 121 75.120 57.240 20.313 1.00 0.00 H ATOM 647 HZ2 LYS A 121 73.753 56.874 21.253 1.00 0.00 H ATOM 648 HZ3 LYS A 121 73.636 56.904 19.558 1.00 0.00 H ATOM 649 H LYS A 121 77.699 58.740 23.633 1.00 0.00 H ATOM 650 N VAL A 122 79.106 62.728 22.924 1.00 25.00 N ATOM 651 CA VAL A 122 79.496 63.956 23.592 1.00 24.71 C ATOM 652 C VAL A 122 79.011 65.161 22.794 1.00 25.72 C ATOM 653 O VAL A 122 78.630 65.038 21.628 1.00 26.82 O ATOM 654 CB VAL A 122 81.020 64.053 23.770 1.00 26.45 C ATOM 655 CG1 VAL A 122 81.558 62.820 24.504 1.00 25.47 C ATOM 656 CG2 VAL A 122 81.714 64.236 22.423 1.00 26.38 C ATOM 657 HA VAL A 122 79.036 63.948 24.580 1.00 0.00 H ATOM 658 HB VAL A 122 81.238 64.930 24.379 1.00 0.00 H ATOM 659 HG11 VAL A 122 81.091 62.751 25.487 1.00 0.00 H ATOM 660 HG12 VAL A 122 81.326 61.925 23.927 1.00 0.00 H ATOM 661 HG13 VAL A 122 82.638 62.910 24.619 1.00 0.00 H ATOM 662 HG21 VAL A 122 81.489 63.384 21.781 1.00 0.00 H ATOM 663 HG22 VAL A 122 81.356 65.152 21.953 1.00 0.00 H ATOM 664 HG23 VAL A 122 82.791 64.302 22.577 1.00 0.00 H ATOM 665 H VAL A 122 79.412 62.575 21.942 1.00 0.00 H ATOM 666 N ARG A 123 79.037 66.326 23.428 1.00 26.94 N ATOM 667 CA ARG A 123 78.579 67.548 22.785 1.00 24.86 C ATOM 668 C ARG A 123 79.356 68.760 23.275 1.00 23.45 C ATOM 669 O ARG A 123 79.687 68.863 24.454 1.00 25.65 O ATOM 670 CB ARG A 123 77.091 67.752 23.042 1.00 26.30 C ATOM 671 CG ARG A 123 76.456 68.752 22.116 1.00 25.33 C ATOM 672 CD ARG A 123 74.981 68.928 22.412 1.00 25.21 C ATOM 673 NE ARG A 123 74.190 67.720 22.169 1.00 25.18 N ATOM 674 CZ ARG A 123 73.796 67.299 20.968 1.00 26.14 C ATOM 675 NH1 ARG A 123 74.147 67.946 19.865 1.00 25.89 N ATOM 676 NH2 ARG A 123 73.064 66.201 20.869 1.00 27.16 N ATOM 677 HA ARG A 123 78.752 67.444 21.714 1.00 0.00 H ATOM 678 HB2 ARG A 123 76.584 66.795 22.917 1.00 0.00 H ATOM 679 HB3 ARG A 123 76.962 68.099 24.067 1.00 0.00 H ATOM 680 HG2 ARG A 123 76.958 69.712 22.234 1.00 0.00 H ATOM 681 HG3 ARG A 123 76.572 68.407 21.089 1.00 0.00 H ATOM 682 HD2 ARG A 123 74.595 69.727 21.780 1.00 0.00 H ATOM 683 HD3 ARG A 123 74.870 69.209 23.459 1.00 0.00 H ATOM 684 HE ARG A 123 73.916 67.149 22.994 1.00 0.00 H ATOM 685 HH12 ARG A 123 73.829 67.601 18.937 1.00 0.00 H ATOM 686 HH11 ARG A 123 74.740 68.798 19.928 1.00 0.00 H ATOM 687 HH22 ARG A 123 72.753 65.866 19.935 1.00 0.00 H ATOM 688 HH21 ARG A 123 72.800 65.673 21.725 1.00 0.00 H ATOM 689 H ARG A 123 79.392 66.367 24.405 1.00 0.00 H ATOM 690 N CYS A 124 79.639 69.675 22.357 1.00 24.41 N ATOM 691 CA CYS A 124 80.334 70.906 22.696 1.00 24.76 C ATOM 692 C CYS A 124 79.349 71.902 23.280 1.00 23.97 C ATOM 693 O CYS A 124 78.282 72.127 22.714 1.00 25.57 O ATOM 694 CB CYS A 124 81.010 71.491 21.464 1.00 25.32 C ATOM 695 SG CYS A 124 81.696 73.143 21.694 1.00 25.46 S ATOM 696 HA CYS A 124 81.103 70.688 23.437 1.00 0.00 H ATOM 697 HB2 CYS A 124 80.273 71.538 20.662 1.00 0.00 H ATOM 698 HB3 CYS A 124 81.821 70.824 21.172 1.00 0.00 H ATOM 699 HG CYS A 124 82.279 73.565 20.517 1.00 0.00 H ATOM 700 H CYS A 124 79.357 69.507 21.370 1.00 0.00 H ATOM 701 N PHE A 125 79.715 72.508 24.406 1.00 26.59 N ATOM 702 CA PHE A 125 78.849 73.481 25.076 1.00 24.99 C ATOM 703 C PHE A 125 78.614 74.731 24.236 1.00 24.72 C ATOM 704 O PHE A 125 77.602 75.409 24.406 1.00 24.45 O ATOM 705 CB PHE A 125 79.439 73.898 26.429 1.00 24.78 C ATOM 706 CG PHE A 125 80.494 74.977 26.331 1.00 23.60 C ATOM 707 CD1 PHE A 125 81.816 74.653 26.060 1.00 24.53 C ATOM 708 CD2 PHE A 125 80.158 76.312 26.503 1.00 24.02 C ATOM 709 CE1 PHE A 125 82.791 75.648 25.969 1.00 25.86 C ATOM 710 CE2 PHE A 125 81.129 77.310 26.411 1.00 25.68 C ATOM 711 CZ PHE A 125 82.447 76.971 26.145 1.00 24.68 C ATOM 712 HA PHE A 125 77.891 72.982 25.223 1.00 0.00 H ATOM 713 HB2 PHE A 125 78.629 74.266 27.058 1.00 0.00 H ATOM 714 HB3 PHE A 125 79.888 73.020 26.893 1.00 0.00 H ATOM 715 HD2 PHE A 125 79.124 76.584 26.712 1.00 0.00 H ATOM 716 HE2 PHE A 125 80.852 78.355 26.548 1.00 0.00 H ATOM 717 HZ PHE A 125 83.208 77.748 26.075 1.00 0.00 H ATOM 718 HE1 PHE A 125 83.826 75.378 25.758 1.00 0.00 H ATOM 719 HD1 PHE A 125 82.096 73.609 25.917 1.00 0.00 H ATOM 720 H PHE A 125 80.642 72.285 24.822 1.00 0.00 H ATOM 721 N PHE A 126 79.557 75.052 23.349 1.00 24.13 N ATOM 722 CA PHE A 126 79.500 76.317 22.634 1.00 24.11 C ATOM 723 C PHE A 126 78.738 76.237 21.318 1.00 23.52 C ATOM 724 O PHE A 126 77.789 77.000 21.113 1.00 23.61 O ATOM 725 CB PHE A 126 80.898 76.902 22.399 1.00 25.39 C ATOM 726 CG PHE A 126 80.864 78.369 22.106 1.00 23.68 C ATOM 727 CD1 PHE A 126 80.500 78.824 20.852 1.00 24.48 C ATOM 728 CD2 PHE A 126 81.117 79.297 23.105 1.00 25.20 C ATOM 729 CE1 PHE A 126 80.426 80.178 20.584 1.00 25.58 C ATOM 730 CE2 PHE A 126 81.048 80.658 22.840 1.00 25.59 C ATOM 731 CZ PHE A 126 80.698 81.096 21.582 1.00 25.51 C ATOM 732 HA PHE A 126 78.941 76.988 23.286 1.00 0.00 H ATOM 733 HB2 PHE A 126 81.501 76.738 23.292 1.00 0.00 H ATOM 734 HB3 PHE A 126 81.355 76.387 21.554 1.00 0.00 H ATOM 735 HD2 PHE A 126 81.372 78.955 24.108 1.00 0.00 H ATOM 736 HE2 PHE A 126 81.271 81.379 23.627 1.00 0.00 H ATOM 737 HZ PHE A 126 80.635 82.164 21.373 1.00 0.00 H ATOM 738 HE1 PHE A 126 80.153 80.522 19.586 1.00 0.00 H ATOM 739 HD1 PHE A 126 80.269 78.106 20.065 1.00 0.00 H ATOM 740 H PHE A 126 80.340 74.392 23.167 1.00 0.00 H ATOM 741 N CYS A 127 79.164 75.345 20.424 1.00 24.38 N ATOM 742 CA CYS A 127 78.504 75.178 19.129 1.00 24.51 C ATOM 743 C CYS A 127 77.386 74.136 19.178 1.00 22.93 C ATOM 744 O CYS A 127 76.609 74.033 18.240 1.00 23.10 O ATOM 745 CB CYS A 127 79.522 74.810 18.038 1.00 25.02 C ATOM 746 SG CYS A 127 80.336 73.209 18.235 1.00 24.72 S ATOM 747 HA CYS A 127 78.049 76.137 18.882 1.00 0.00 H ATOM 748 HB2 CYS A 127 80.294 75.579 18.026 1.00 0.00 H ATOM 749 HB3 CYS A 127 79.001 74.806 17.081 1.00 0.00 H ATOM 750 HG CYS A 127 81.024 73.189 19.431 1.00 0.00 H ATOM 751 H CYS A 127 79.987 74.752 20.653 1.00 0.00 H ATOM 752 N TYR A 128 77.312 73.376 20.270 1.00 23.25 N ATOM 753 CA TYR A 128 76.302 72.312 20.450 1.00 24.13 C ATOM 754 C TYR A 128 76.469 71.160 19.454 1.00 25.25 C ATOM 755 O TYR A 128 75.544 70.367 19.240 1.00 23.88 O ATOM 756 CB TYR A 128 74.878 72.884 20.389 1.00 24.49 C ATOM 757 CG TYR A 128 73.930 72.265 21.400 1.00 25.26 C ATOM 758 CD1 TYR A 128 74.166 72.388 22.770 1.00 24.53 C ATOM 759 CD2 TYR A 128 72.791 71.570 20.990 1.00 24.19 C ATOM 760 CE1 TYR A 128 73.298 71.827 23.707 1.00 24.69 C ATOM 761 CE2 TYR A 128 71.920 71.007 21.920 1.00 24.39 C ATOM 762 CZ TYR A 128 72.180 71.137 23.273 1.00 23.97 C ATOM 763 OH TYR A 128 71.309 70.587 24.189 1.00 24.34 O ATOM 764 HA TYR A 128 76.467 71.895 21.444 1.00 0.00 H ATOM 765 HB3 TYR A 128 74.479 72.709 19.390 1.00 0.00 H ATOM 766 HB2 TYR A 128 74.929 73.957 20.576 1.00 0.00 H ATOM 767 HD2 TYR A 128 72.580 71.466 19.926 1.00 0.00 H ATOM 768 HE2 TYR A 128 71.036 70.466 21.583 1.00 0.00 H ATOM 769 HE1 TYR A 128 73.499 71.931 24.773 1.00 0.00 H ATOM 770 HD1 TYR A 128 75.045 72.933 23.114 1.00 0.00 H ATOM 771 HH TYR A 128 71.638 70.768 25.105 1.00 0.00 H ATOM 772 H TYR A 128 77.999 73.540 21.033 1.00 0.00 H ATOM 773 N GLY A 129 77.660 71.051 18.873 1.00 24.10 N ATOM 774 CA GLY A 129 77.961 69.979 17.932 1.00 25.35 C ATOM 775 C GLY A 129 78.170 68.682 18.685 1.00 23.96 C ATOM 776 O GLY A 129 78.924 68.640 19.647 1.00 25.04 O ATOM 777 HA3 GLY A 129 78.866 70.227 17.378 1.00 0.00 H ATOM 778 HA2 GLY A 129 77.130 69.864 17.236 1.00 0.00 H ATOM 779 H GLY A 129 78.397 71.750 19.096 1.00 0.00 H ATOM 780 N GLY A 130 77.487 67.627 18.256 1.00 25.97 N ATOM 781 CA GLY A 130 77.602 66.324 18.899 1.00 25.79 C ATOM 782 C GLY A 130 78.504 65.391 18.114 1.00 26.19 C ATOM 783 O GLY A 130 78.490 65.410 16.886 1.00 26.31 O ATOM 784 HA3 GLY A 130 76.610 65.878 18.974 1.00 0.00 H ATOM 785 HA2 GLY A 130 78.015 66.458 19.899 1.00 0.00 H ATOM 786 H GLY A 130 76.853 67.733 17.439 1.00 0.00 H ATOM 787 N LEU A 131 79.292 64.585 18.830 1.00 24.70 N ATOM 788 CA LEU A 131 80.141 63.559 18.224 1.00 26.20 C ATOM 789 C LEU A 131 80.004 62.242 18.982 1.00 24.67 C ATOM 790 O LEU A 131 79.905 62.232 20.211 1.00 24.64 O ATOM 791 CB LEU A 131 81.609 63.988 18.235 1.00 25.17 C ATOM 792 CG LEU A 131 81.995 65.142 17.313 1.00 27.01 C ATOM 793 CD1 LEU A 131 83.433 65.569 17.572 1.00 26.51 C ATOM 794 CD2 LEU A 131 81.802 64.766 15.851 1.00 26.20 C ATOM 795 HA LEU A 131 79.815 63.426 17.192 1.00 0.00 H ATOM 796 HB2 LEU A 131 81.860 64.282 19.254 1.00 0.00 H ATOM 797 HB3 LEU A 131 82.208 63.123 17.950 1.00 0.00 H ATOM 798 HG LEU A 131 81.337 65.983 17.530 1.00 0.00 H ATOM 799 HD21 LEU A 131 82.427 63.906 15.613 1.00 0.00 H ATOM 800 HD22 LEU A 131 80.756 64.516 15.677 1.00 0.00 H ATOM 801 HD23 LEU A 131 82.085 65.608 15.220 1.00 0.00 H ATOM 802 HD11 LEU A 131 83.534 65.892 18.608 1.00 0.00 H ATOM 803 HD12 LEU A 131 84.100 64.727 17.386 1.00 0.00 H ATOM 804 HD13 LEU A 131 83.692 66.392 16.906 1.00 0.00 H ATOM 805 H LEU A 131 79.303 64.691 19.864 1.00 0.00 H ATOM 806 N GLN A 132 80.000 61.138 18.238 1.00 24.02 N ATOM 807 CA GLN A 132 79.961 59.805 18.828 1.00 24.71 C ATOM 808 C GLN A 132 80.831 58.852 18.010 1.00 24.19 C ATOM 809 O GLN A 132 81.510 59.282 17.084 1.00 25.09 O ATOM 810 CB GLN A 132 78.515 59.305 18.928 1.00 23.40 C ATOM 811 CG GLN A 132 77.825 59.007 17.612 1.00 26.49 C ATOM 812 CD GLN A 132 76.484 58.331 17.816 1.00 28.00 C ATOM 813 OE1 GLN A 132 76.355 57.425 18.641 1.00 29.79 O ATOM 814 NE2 GLN A 132 75.478 58.765 17.063 1.00 29.11 N ATOM 815 HA GLN A 132 80.363 59.846 19.841 1.00 0.00 H ATOM 816 HB2 GLN A 132 78.518 58.389 19.519 1.00 0.00 H ATOM 817 HB3 GLN A 132 77.933 60.067 19.446 1.00 0.00 H ATOM 818 HG2 GLN A 132 77.670 59.943 17.075 1.00 0.00 H ATOM 819 HG3 GLN A 132 78.464 58.352 17.020 1.00 0.00 H ATOM 820 HE22 GLN A 132 75.634 59.533 16.379 1.00 0.00 H ATOM 821 HE21 GLN A 132 74.535 58.337 17.158 1.00 0.00 H ATOM 822 H GLN A 132 80.026 61.229 17.202 1.00 0.00 H ATOM 823 N SER A 133 80.810 57.569 18.354 1.00 23.77 N ATOM 824 CA SER A 133 81.606 56.550 17.654 1.00 25.68 C ATOM 825 C SER A 133 83.090 56.926 17.635 1.00 25.89 C ATOM 826 O SER A 133 83.745 56.910 16.586 1.00 24.76 O ATOM 827 CB SER A 133 81.082 56.321 16.235 1.00 26.75 C ATOM 828 OG SER A 133 79.702 56.012 16.250 1.00 27.97 O ATOM 829 HA SER A 133 81.505 55.614 18.204 1.00 0.00 H ATOM 830 HB2 SER A 133 81.628 55.494 15.782 1.00 0.00 H ATOM 831 HB3 SER A 133 81.239 57.225 15.646 1.00 0.00 H ATOM 832 HG SER A 133 79.387 55.869 15.322 1.00 0.00 H ATOM 833 H SER A 133 80.208 57.274 19.149 1.00 0.00 H ATOM 834 N TRP A 134 83.603 57.260 18.816 1.00 24.88 N ATOM 835 CA TRP A 134 85.006 57.611 18.990 1.00 26.52 C ATOM 836 C TRP A 134 85.894 56.388 18.805 1.00 26.64 C ATOM 837 O TRP A 134 85.552 55.286 19.249 1.00 25.66 O ATOM 838 CB TRP A 134 85.237 58.211 20.376 1.00 25.65 C ATOM 839 CG TRP A 134 84.587 59.541 20.538 1.00 25.70 C ATOM 840 CD1 TRP A 134 83.286 59.781 20.861 1.00 25.20 C ATOM 841 CD2 TRP A 134 85.201 60.818 20.362 1.00 24.69 C ATOM 842 NE1 TRP A 134 83.050 61.132 20.900 1.00 25.03 N ATOM 843 CE2 TRP A 134 84.210 61.794 20.598 1.00 25.68 C ATOM 844 CE3 TRP A 134 86.493 61.235 20.029 1.00 26.12 C ATOM 845 CZ2 TRP A 134 84.471 63.157 20.513 1.00 25.77 C ATOM 846 CZ3 TRP A 134 86.752 62.591 19.942 1.00 25.71 C ATOM 847 CH2 TRP A 134 85.745 63.536 20.180 1.00 25.95 C ATOM 848 HA TRP A 134 85.266 58.351 18.233 1.00 0.00 H ATOM 849 HB2 TRP A 134 84.831 57.530 21.124 1.00 0.00 H ATOM 850 HB3 TRP A 134 86.310 58.324 20.534 1.00 0.00 H ATOM 851 HE1 TRP A 134 82.138 61.580 21.123 1.00 0.00 H ATOM 852 HD1 TRP A 134 82.540 59.011 21.060 1.00 0.00 H ATOM 853 HZ2 TRP A 134 83.692 63.895 20.704 1.00 0.00 H ATOM 854 HH2 TRP A 134 85.981 64.597 20.098 1.00 0.00 H ATOM 855 HZ3 TRP A 134 87.755 62.930 19.684 1.00 0.00 H ATOM 856 HE3 TRP A 134 87.281 60.506 19.842 1.00 0.00 H ATOM 857 H TRP A 134 82.978 57.271 19.647 1.00 0.00 H ATOM 858 N LYS A 135 87.024 56.590 18.133 1.00 26.02 N ATOM 859 CA LYS A 135 88.012 55.538 17.931 1.00 27.72 C ATOM 860 C LYS A 135 89.196 55.785 18.847 1.00 26.89 C ATOM 861 O LYS A 135 89.500 56.932 19.183 1.00 25.27 O ATOM 862 CB LYS A 135 88.472 55.507 16.472 1.00 32.66 C ATOM 863 CG LYS A 135 87.357 55.225 15.464 1.00 37.31 C ATOM 864 CD LYS A 135 86.517 54.016 15.872 1.00 39.24 C ATOM 865 CE LYS A 135 85.745 53.428 14.700 1.00 39.92 C ATOM 866 NZ LYS A 135 84.620 52.567 15.165 1.00 41.23 N ATOM 867 HA LYS A 135 87.562 54.573 18.167 1.00 0.00 H ATOM 868 HB2 LYS A 135 88.912 56.475 16.232 1.00 0.00 H ATOM 869 HB3 LYS A 135 89.229 54.730 16.369 1.00 0.00 H ATOM 870 HG2 LYS A 135 86.710 56.099 15.400 1.00 0.00 H ATOM 871 HG3 LYS A 135 87.803 55.032 14.488 1.00 0.00 H ATOM 872 HD2 LYS A 135 87.178 53.250 16.277 1.00 0.00 H ATOM 873 HD3 LYS A 135 85.808 54.325 16.640 1.00 0.00 H ATOM 874 HE2 LYS A 135 86.424 52.828 14.094 1.00 0.00 H ATOM 875 HE3 LYS A 135 85.343 54.242 14.096 1.00 0.00 H ATOM 876 HZ1 LYS A 135 84.997 51.785 15.737 1.00 0.00 H ATOM 877 HZ2 LYS A 135 83.965 53.135 15.740 1.00 0.00 H ATOM 878 HZ3 LYS A 135 84.115 52.183 14.341 1.00 0.00 H ATOM 879 H LYS A 135 87.209 57.534 17.737 1.00 0.00 H ATOM 880 N ARG A 136 89.872 54.711 19.248 1.00 26.19 N ATOM 881 CA ARG A 136 91.011 54.844 20.148 1.00 27.30 C ATOM 882 C ARG A 136 92.046 55.779 19.525 1.00 26.65 C ATOM 883 O ARG A 136 92.357 55.676 18.337 1.00 22.13 O ATOM 884 CB ARG A 136 91.625 53.480 20.494 1.00 27.42 C ATOM 885 CG ARG A 136 92.280 52.752 19.342 1.00 28.01 C ATOM 886 CD ARG A 136 92.892 51.435 19.796 1.00 28.44 C ATOM 887 NE ARG A 136 93.817 50.907 18.791 1.00 30.78 N ATOM 888 CZ ARG A 136 94.690 49.921 18.999 1.00 30.80 C ATOM 889 NH1 ARG A 136 94.780 49.332 20.183 1.00 30.06 N ATOM 890 NH2 ARG A 136 95.482 49.518 18.014 1.00 32.56 N ATOM 891 HA ARG A 136 90.663 55.275 21.087 1.00 0.00 H ATOM 892 HB2 ARG A 136 92.379 53.636 21.265 1.00 0.00 H ATOM 893 HB3 ARG A 136 90.832 52.844 20.887 1.00 0.00 H ATOM 894 HG2 ARG A 136 91.530 52.550 18.577 1.00 0.00 H ATOM 895 HG3 ARG A 136 93.064 53.383 18.923 1.00 0.00 H ATOM 896 HD2 ARG A 136 92.095 50.710 19.962 1.00 0.00 H ATOM 897 HD3 ARG A 136 93.434 51.597 20.728 1.00 0.00 H ATOM 898 HE ARG A 136 93.791 51.334 17.843 1.00 0.00 H ATOM 899 HH12 ARG A 136 95.466 48.564 20.331 1.00 0.00 H ATOM 900 HH11 ARG A 136 94.165 49.638 20.964 1.00 0.00 H ATOM 901 HH22 ARG A 136 96.163 48.749 18.176 1.00 0.00 H ATOM 902 HH21 ARG A 136 95.422 49.971 17.080 1.00 0.00 H ATOM 903 H ARG A 136 89.585 53.768 18.916 1.00 0.00 H ATOM 904 N GLY A 137 92.537 56.718 20.326 1.00 27.49 N ATOM 905 CA GLY A 137 93.522 57.680 19.864 1.00 29.02 C ATOM 906 C GLY A 137 92.958 58.882 19.124 1.00 29.28 C ATOM 907 O GLY A 137 93.731 59.747 18.712 1.00 28.32 O ATOM 908 HA3 GLY A 137 94.209 57.164 19.194 1.00 0.00 H ATOM 909 HA2 GLY A 137 94.070 58.045 20.733 1.00 0.00 H ATOM 910 H GLY A 137 92.207 56.766 21.311 1.00 0.00 H ATOM 911 N ASP A 138 91.635 58.937 18.924 1.00 27.85 N ATOM 912 CA ASP A 138 90.997 60.140 18.379 1.00 26.66 C ATOM 913 C ASP A 138 91.393 61.323 19.249 1.00 26.05 C ATOM 914 O ASP A 138 91.385 61.223 20.479 1.00 26.51 O ATOM 915 CB ASP A 138 89.466 60.043 18.400 1.00 26.67 C ATOM 916 CG ASP A 138 88.871 59.473 17.122 1.00 27.51 C ATOM 917 OD1 ASP A 138 89.595 59.201 16.140 1.00 27.68 O ATOM 918 OD2 ASP A 138 87.636 59.303 17.111 1.00 27.30 O ATOM 919 HA ASP A 138 91.324 60.254 17.345 1.00 0.00 H ATOM 920 HB2 ASP A 138 89.173 59.402 19.232 1.00 0.00 H ATOM 921 HB3 ASP A 138 89.060 61.043 18.553 1.00 0.00 H ATOM 922 H ASP A 138 91.049 58.111 19.160 1.00 0.00 H ATOM 923 N ASP A 139 91.715 62.443 18.613 1.00 27.00 N ATOM 924 CA ASP A 139 92.111 63.640 19.335 1.00 25.65 C ATOM 925 C ASP A 139 90.925 64.592 19.362 1.00 24.61 C ATOM 926 O ASP A 139 90.510 65.073 18.306 1.00 25.25 O ATOM 927 CB ASP A 139 93.300 64.310 18.659 1.00 26.09 C ATOM 928 CG ASP A 139 93.723 65.572 19.374 1.00 29.89 C ATOM 929 OD1 ASP A 139 94.178 65.468 20.528 1.00 34.31 O ATOM 930 OD2 ASP A 139 93.579 66.664 18.796 1.00 32.74 O ATOM 931 HA ASP A 139 92.409 63.374 20.349 1.00 0.00 H ATOM 932 HB2 ASP A 139 94.138 63.613 18.650 1.00 0.00 H ATOM 933 HB3 ASP A 139 93.027 64.561 17.634 1.00 0.00 H ATOM 934 H ASP A 139 91.683 62.464 17.574 1.00 0.00 H ATOM 935 N PRO A 140 90.355 64.842 20.557 1.00 25.22 N ATOM 936 CA PRO A 140 89.159 65.686 20.657 1.00 24.70 C ATOM 937 C PRO A 140 89.244 67.044 19.951 1.00 25.37 C ATOM 938 O PRO A 140 88.302 67.410 19.251 1.00 27.13 O ATOM 939 CB PRO A 140 88.968 65.845 22.170 1.00 25.32 C ATOM 940 CG PRO A 140 89.559 64.587 22.741 1.00 25.99 C ATOM 941 CD PRO A 140 90.748 64.299 21.876 1.00 25.65 C ATOM 942 HA PRO A 140 88.319 65.220 20.142 1.00 0.00 H ATOM 943 HD3 PRO A 140 91.637 64.802 22.256 1.00 0.00 H ATOM 944 HD2 PRO A 140 90.936 63.227 21.816 1.00 0.00 H ATOM 945 HG3 PRO A 140 88.841 63.768 22.693 1.00 0.00 H ATOM 946 HG2 PRO A 140 89.864 64.741 23.776 1.00 0.00 H ATOM 947 HB2 PRO A 140 89.497 66.724 22.538 1.00 0.00 H ATOM 948 HB3 PRO A 140 87.911 65.926 22.422 1.00 0.00 H ATOM 949 N TRP A 141 90.347 67.773 20.111 1.00 24.20 N ATOM 950 CA TRP A 141 90.498 69.071 19.430 1.00 26.43 C ATOM 951 C TRP A 141 90.481 68.913 17.907 1.00 25.57 C ATOM 952 O TRP A 141 89.844 69.703 17.205 1.00 24.96 O ATOM 953 CB TRP A 141 91.784 69.800 19.854 1.00 26.43 C ATOM 954 CG TRP A 141 91.663 70.697 21.069 1.00 26.07 C ATOM 955 CD1 TRP A 141 92.490 70.709 22.157 1.00 27.05 C ATOM 956 CD2 TRP A 141 90.691 71.730 21.296 1.00 25.85 C ATOM 957 NE1 TRP A 141 92.082 71.671 23.053 1.00 27.49 N ATOM 958 CE2 TRP A 141 90.984 72.312 22.549 1.00 27.14 C ATOM 959 CE3 TRP A 141 89.596 72.212 20.569 1.00 27.09 C ATOM 960 CZ2 TRP A 141 90.233 73.360 23.081 1.00 26.49 C ATOM 961 CZ3 TRP A 141 88.844 73.248 21.105 1.00 26.07 C ATOM 962 CH2 TRP A 141 89.166 73.807 22.349 1.00 26.24 C ATOM 963 HA TRP A 141 89.643 69.675 19.734 1.00 0.00 H ATOM 964 HB2 TRP A 141 92.541 69.046 20.069 1.00 0.00 H ATOM 965 HB3 TRP A 141 92.112 70.414 19.016 1.00 0.00 H ATOM 966 HE1 TRP A 141 92.536 71.877 23.966 1.00 0.00 H ATOM 967 HD1 TRP A 141 93.349 70.052 22.295 1.00 0.00 H ATOM 968 HZ2 TRP A 141 90.486 73.806 24.043 1.00 0.00 H ATOM 969 HH2 TRP A 141 88.552 74.617 22.743 1.00 0.00 H ATOM 970 HZ3 TRP A 141 87.989 73.633 20.549 1.00 0.00 H ATOM 971 HE3 TRP A 141 89.339 71.782 19.601 1.00 0.00 H ATOM 972 H TRP A 141 91.111 67.422 20.724 1.00 0.00 H ATOM 973 N THR A 142 91.178 67.895 17.404 1.00 23.91 N ATOM 974 CA THR A 142 91.207 67.603 15.968 1.00 24.70 C ATOM 975 C THR A 142 89.806 67.310 15.432 1.00 23.86 C ATOM 976 O THR A 142 89.401 67.852 14.396 1.00 23.41 O ATOM 977 CB THR A 142 92.143 66.410 15.643 1.00 24.61 C ATOM 978 OG1 THR A 142 93.484 66.725 16.043 1.00 22.28 O ATOM 979 CG2 THR A 142 92.128 66.082 14.150 1.00 23.43 C ATOM 980 HA THR A 142 91.597 68.495 15.477 1.00 0.00 H ATOM 981 HB THR A 142 91.782 65.540 16.192 1.00 0.00 H ATOM 982 HG1 THR A 142 93.504 66.903 17.017 1.00 0.00 H ATOM 983 HG23 THR A 142 91.110 65.842 13.842 1.00 0.00 H ATOM 984 HG21 THR A 142 92.486 66.944 13.586 1.00 0.00 H ATOM 985 HG22 THR A 142 92.777 65.227 13.961 1.00 0.00 H ATOM 986 H THR A 142 91.719 67.288 18.052 1.00 0.00 H ATOM 987 N GLU A 143 89.064 66.464 16.140 1.00 23.65 N ATOM 988 CA GLU A 143 87.708 66.119 15.723 1.00 24.11 C ATOM 989 C GLU A 143 86.796 67.345 15.773 1.00 24.44 C ATOM 990 O GLU A 143 85.953 67.521 14.900 1.00 25.47 O ATOM 991 CB GLU A 143 87.139 64.981 16.575 1.00 24.40 C ATOM 992 CG GLU A 143 87.910 63.663 16.479 1.00 25.14 C ATOM 993 CD GLU A 143 87.948 63.093 15.075 1.00 26.54 C ATOM 994 OE1 GLU A 143 86.865 62.847 14.502 1.00 24.28 O ATOM 995 OE2 GLU A 143 89.062 62.873 14.547 1.00 27.79 O ATOM 996 HA GLU A 143 87.754 65.771 14.691 1.00 0.00 H ATOM 997 HB2 GLU A 143 87.143 65.302 17.617 1.00 0.00 H ATOM 998 HB3 GLU A 143 86.113 64.798 16.256 1.00 0.00 H ATOM 999 HG2 GLU A 143 88.934 63.836 16.811 1.00 0.00 H ATOM 1000 HG3 GLU A 143 87.434 62.935 17.136 1.00 0.00 H ATOM 1001 H GLU A 143 89.456 66.041 17.005 1.00 0.00 H ATOM 1002 N HIS A 144 86.986 68.197 16.781 1.00 25.63 N ATOM 1003 CA HIS A 144 86.217 69.450 16.907 1.00 25.25 C ATOM 1004 C HIS A 144 86.399 70.340 15.668 1.00 26.21 C ATOM 1005 O HIS A 144 85.422 70.861 15.113 1.00 25.89 O ATOM 1006 CB HIS A 144 86.657 70.214 18.165 1.00 24.57 C ATOM 1007 CG HIS A 144 85.592 71.086 18.763 1.00 26.21 C ATOM 1008 ND1 HIS A 144 85.533 71.351 20.114 1.00 25.39 N ATOM 1009 CD2 HIS A 144 84.549 71.748 18.206 1.00 24.89 C ATOM 1010 CE1 HIS A 144 84.502 72.141 20.363 1.00 25.09 C ATOM 1011 NE2 HIS A 144 83.886 72.395 19.223 1.00 23.90 N ATOM 1012 HA HIS A 144 85.162 69.191 16.990 1.00 0.00 H ATOM 1013 HB2 HIS A 144 86.964 69.487 18.916 1.00 0.00 H ATOM 1014 HB3 HIS A 144 87.507 70.844 17.902 1.00 0.00 H ATOM 1015 HD2 HIS A 144 84.285 71.765 17.149 1.00 0.00 H ATOM 1016 HE1 HIS A 144 84.210 72.518 21.343 1.00 0.00 H ATOM 1017 H HIS A 144 87.700 67.971 17.502 1.00 0.00 H ATOM 1018 N ALA A 145 87.650 70.501 15.237 1.00 25.49 N ATOM 1019 CA ALA A 145 87.988 71.358 14.092 1.00 25.85 C ATOM 1020 C ALA A 145 87.576 70.730 12.763 1.00 26.99 C ATOM 1021 O ALA A 145 87.148 71.430 11.845 1.00 27.75 O ATOM 1022 CB ALA A 145 89.485 71.667 14.084 1.00 25.10 C ATOM 1023 HA ALA A 145 87.427 72.286 14.205 1.00 0.00 H ATOM 1024 HB1 ALA A 145 89.753 72.182 15.006 1.00 0.00 H ATOM 1025 HB2 ALA A 145 90.047 70.736 14.010 1.00 0.00 H ATOM 1026 HB3 ALA A 145 89.719 72.303 13.230 1.00 0.00 H ATOM 1027 H ALA A 145 88.417 70.001 15.730 1.00 0.00 H ATOM 1028 N LYS A 146 87.720 69.412 12.672 1.00 26.73 N ATOM 1029 CA LYS A 146 87.309 68.644 11.503 1.00 27.83 C ATOM 1030 C LYS A 146 85.818 68.810 11.206 1.00 25.54 C ATOM 1031 O LYS A 146 85.442 69.116 10.077 1.00 22.93 O ATOM 1032 CB LYS A 146 87.634 67.166 11.740 1.00 29.93 C ATOM 1033 CG LYS A 146 87.478 66.255 10.541 1.00 33.63 C ATOM 1034 CD LYS A 146 87.720 64.785 10.922 1.00 34.96 C ATOM 1035 CE LYS A 146 89.142 64.542 11.445 1.00 38.43 C ATOM 1036 NZ LYS A 146 89.464 63.086 11.622 1.00 39.24 N ATOM 1037 HA LYS A 146 87.855 69.018 10.637 1.00 0.00 H ATOM 1038 HB2 LYS A 146 88.669 67.101 12.077 1.00 0.00 H ATOM 1039 HB3 LYS A 146 86.973 66.800 12.526 1.00 0.00 H ATOM 1040 HG2 LYS A 146 86.468 66.358 10.145 1.00 0.00 H ATOM 1041 HG3 LYS A 146 88.198 66.547 9.776 1.00 0.00 H ATOM 1042 HD2 LYS A 146 87.008 64.503 11.698 1.00 0.00 H ATOM 1043 HD3 LYS A 146 87.560 64.164 10.041 1.00 0.00 H ATOM 1044 HE2 LYS A 146 89.247 65.040 12.409 1.00 0.00 H ATOM 1045 HE3 LYS A 146 89.851 64.971 10.736 1.00 0.00 H ATOM 1046 HZ1 LYS A 146 88.801 62.666 12.304 1.00 0.00 H ATOM 1047 HZ2 LYS A 146 89.377 62.599 10.707 1.00 0.00 H ATOM 1048 HZ3 LYS A 146 90.437 62.988 11.977 1.00 0.00 H ATOM 1049 H LYS A 146 88.146 68.904 13.473 1.00 0.00 H ATOM 1050 N TRP A 147 84.979 68.619 12.224 1.00 24.41 N ATOM 1051 CA TRP A 147 83.525 68.565 12.035 1.00 25.75 C ATOM 1052 C TRP A 147 82.810 69.893 12.280 1.00 26.79 C ATOM 1053 O TRP A 147 81.757 70.138 11.692 1.00 26.09 O ATOM 1054 CB TRP A 147 82.913 67.488 12.939 1.00 26.54 C ATOM 1055 CG TRP A 147 83.404 66.112 12.625 1.00 26.31 C ATOM 1056 CD1 TRP A 147 84.254 65.357 13.374 1.00 26.62 C ATOM 1057 CD2 TRP A 147 83.088 65.330 11.466 1.00 27.59 C ATOM 1058 NE1 TRP A 147 84.485 64.152 12.758 1.00 26.69 N ATOM 1059 CE2 TRP A 147 83.781 64.108 11.585 1.00 26.55 C ATOM 1060 CE3 TRP A 147 82.280 65.541 10.342 1.00 27.62 C ATOM 1061 CZ2 TRP A 147 83.694 63.100 10.622 1.00 26.80 C ATOM 1062 CZ3 TRP A 147 82.192 64.538 9.387 1.00 26.99 C ATOM 1063 CH2 TRP A 147 82.896 63.333 9.534 1.00 26.65 C ATOM 1064 HA TRP A 147 83.377 68.321 10.983 1.00 0.00 H ATOM 1065 HB2 TRP A 147 83.165 67.719 13.974 1.00 0.00 H ATOM 1066 HB3 TRP A 147 81.830 67.507 12.817 1.00 0.00 H ATOM 1067 HE1 TRP A 147 85.097 63.394 13.124 1.00 0.00 H ATOM 1068 HD1 TRP A 147 84.688 65.665 14.325 1.00 0.00 H ATOM 1069 HZ2 TRP A 147 84.241 62.163 10.732 1.00 0.00 H ATOM 1070 HH2 TRP A 147 82.806 62.566 8.765 1.00 0.00 H ATOM 1071 HZ3 TRP A 147 81.565 64.689 8.508 1.00 0.00 H ATOM 1072 HE3 TRP A 147 81.731 66.475 10.220 1.00 0.00 H ATOM 1073 H TRP A 147 85.367 68.505 13.182 1.00 0.00 H ATOM 1074 N PHE A 148 83.364 70.733 13.153 1.00 25.40 N ATOM 1075 CA PHE A 148 82.728 72.004 13.521 1.00 25.60 C ATOM 1076 C PHE A 148 83.710 73.174 13.456 1.00 25.29 C ATOM 1077 O PHE A 148 83.913 73.871 14.452 1.00 25.23 O ATOM 1078 CB PHE A 148 82.128 71.907 14.924 1.00 26.30 C ATOM 1079 CG PHE A 148 81.312 70.670 15.147 1.00 26.56 C ATOM 1080 CD1 PHE A 148 80.156 70.446 14.413 1.00 27.76 C ATOM 1081 CD2 PHE A 148 81.698 69.728 16.084 1.00 28.40 C ATOM 1082 CE1 PHE A 148 79.400 69.298 14.609 1.00 27.58 C ATOM 1083 CE2 PHE A 148 80.945 68.580 16.284 1.00 28.06 C ATOM 1084 CZ PHE A 148 79.799 68.364 15.545 1.00 25.93 C ATOM 1085 HA PHE A 148 81.936 72.194 12.797 1.00 0.00 H ATOM 1086 HB2 PHE A 148 82.943 71.917 15.648 1.00 0.00 H ATOM 1087 HB3 PHE A 148 81.489 72.775 15.086 1.00 0.00 H ATOM 1088 HD2 PHE A 148 82.602 69.889 16.671 1.00 0.00 H ATOM 1089 HE2 PHE A 148 81.259 67.847 17.027 1.00 0.00 H ATOM 1090 HZ PHE A 148 79.211 67.459 15.700 1.00 0.00 H ATOM 1091 HE1 PHE A 148 78.494 69.134 14.026 1.00 0.00 H ATOM 1092 HD1 PHE A 148 79.837 71.180 13.673 1.00 0.00 H ATOM 1093 H PHE A 148 84.275 70.481 13.587 1.00 0.00 H ATOM 1094 N PRO A 149 84.291 73.420 12.270 1.00 24.69 N ATOM 1095 CA PRO A 149 85.335 74.441 12.126 1.00 24.91 C ATOM 1096 C PRO A 149 84.884 75.878 12.416 1.00 26.29 C ATOM 1097 O PRO A 149 85.733 76.747 12.630 1.00 25.67 O ATOM 1098 CB PRO A 149 85.759 74.300 10.663 1.00 25.02 C ATOM 1099 CG PRO A 149 84.584 73.705 9.977 1.00 25.54 C ATOM 1100 CD PRO A 149 83.987 72.769 10.982 1.00 25.67 C ATOM 1101 HA PRO A 149 86.129 74.279 12.855 1.00 0.00 H ATOM 1102 HD3 PRO A 149 82.911 72.673 10.836 1.00 0.00 H ATOM 1103 HD2 PRO A 149 84.450 71.784 10.923 1.00 0.00 H ATOM 1104 HG3 PRO A 149 84.894 73.163 9.084 1.00 0.00 H ATOM 1105 HG2 PRO A 149 83.868 74.479 9.700 1.00 0.00 H ATOM 1106 HB2 PRO A 149 85.998 75.275 10.238 1.00 0.00 H ATOM 1107 HB3 PRO A 149 86.626 73.645 10.577 1.00 0.00 H ATOM 1108 N GLY A 150 83.573 76.127 12.419 1.00 25.34 N ATOM 1109 CA GLY A 150 83.034 77.459 12.708 1.00 24.56 C ATOM 1110 C GLY A 150 82.810 77.757 14.186 1.00 24.43 C ATOM 1111 O GLY A 150 82.402 78.860 14.541 1.00 24.95 O ATOM 1112 HA3 GLY A 150 82.077 77.556 12.195 1.00 0.00 H ATOM 1113 HA2 GLY A 150 83.732 78.199 12.316 1.00 0.00 H ATOM 1114 H GLY A 150 82.913 75.351 12.210 1.00 0.00 H ATOM 1115 N CYS A 151 83.074 76.785 15.054 1.00 23.53 N ATOM 1116 CA CYS A 151 82.888 76.971 16.491 1.00 23.98 C ATOM 1117 C CYS A 151 83.799 78.065 17.045 1.00 24.33 C ATOM 1118 O CYS A 151 85.016 78.014 16.870 1.00 22.92 O ATOM 1119 CB CYS A 151 83.197 75.681 17.223 1.00 25.43 C ATOM 1120 SG CYS A 151 82.978 75.788 18.993 1.00 24.76 S ATOM 1121 HA CYS A 151 81.850 77.265 16.645 1.00 0.00 H ATOM 1122 HB2 CYS A 151 84.233 75.410 17.020 1.00 0.00 H ATOM 1123 HB3 CYS A 151 82.537 74.902 16.841 1.00 0.00 H ATOM 1124 HG CYS A 151 83.282 74.570 19.567 1.00 0.00 H ATOM 1125 H CYS A 151 83.421 75.870 14.701 1.00 0.00 H ATOM 1126 N GLN A 152 83.215 79.036 17.736 1.00 22.11 N ATOM 1127 CA GLN A 152 83.988 80.177 18.223 1.00 24.32 C ATOM 1128 C GLN A 152 84.818 79.845 19.465 1.00 23.64 C ATOM 1129 O GLN A 152 85.856 80.468 19.698 1.00 24.76 O ATOM 1130 CB GLN A 152 83.078 81.379 18.472 1.00 27.06 C ATOM 1131 CG GLN A 152 82.431 81.919 17.202 1.00 31.18 C ATOM 1132 CD GLN A 152 83.453 82.440 16.203 1.00 35.40 C ATOM 1133 OE1 GLN A 152 84.023 83.517 16.388 1.00 37.66 O ATOM 1134 NE2 GLN A 152 83.692 81.674 15.139 1.00 36.20 N ATOM 1135 HA GLN A 152 84.700 80.435 17.439 1.00 0.00 H ATOM 1136 HB2 GLN A 152 82.289 81.079 19.162 1.00 0.00 H ATOM 1137 HB3 GLN A 152 83.671 82.174 18.924 1.00 0.00 H ATOM 1138 HG2 GLN A 152 81.860 81.118 16.733 1.00 0.00 H ATOM 1139 HG3 GLN A 152 81.758 82.733 17.471 1.00 0.00 H ATOM 1140 HE22 GLN A 152 83.187 80.772 15.024 1.00 0.00 H ATOM 1141 HE21 GLN A 152 84.383 81.978 14.424 1.00 0.00 H ATOM 1142 H GLN A 152 82.195 78.984 17.933 1.00 0.00 H ATOM 1143 N PHE A 153 84.356 78.887 20.267 1.00 25.33 N ATOM 1144 CA PHE A 153 85.164 78.349 21.368 1.00 24.95 C ATOM 1145 C PHE A 153 86.447 77.699 20.837 1.00 25.09 C ATOM 1146 O PHE A 153 87.537 77.963 21.350 1.00 23.38 O ATOM 1147 CB PHE A 153 84.368 77.345 22.209 1.00 25.91 C ATOM 1148 CG PHE A 153 85.185 76.688 23.293 1.00 26.16 C ATOM 1149 CD1 PHE A 153 85.559 77.401 24.424 1.00 25.99 C ATOM 1150 CD2 PHE A 153 85.606 75.370 23.166 1.00 26.65 C ATOM 1151 CE1 PHE A 153 86.322 76.806 25.419 1.00 27.00 C ATOM 1152 CE2 PHE A 153 86.369 74.773 24.154 1.00 26.72 C ATOM 1153 CZ PHE A 153 86.730 75.496 25.282 1.00 26.64 C ATOM 1154 HA PHE A 153 85.438 79.186 22.011 1.00 0.00 H ATOM 1155 HB2 PHE A 153 83.534 77.869 22.675 1.00 0.00 H ATOM 1156 HB3 PHE A 153 83.983 76.569 21.548 1.00 0.00 H ATOM 1157 HD2 PHE A 153 85.332 74.800 22.278 1.00 0.00 H ATOM 1158 HE2 PHE A 153 86.686 73.736 24.046 1.00 0.00 H ATOM 1159 HZ PHE A 153 87.335 75.029 26.059 1.00 0.00 H ATOM 1160 HE1 PHE A 153 86.598 77.374 26.308 1.00 0.00 H ATOM 1161 HD1 PHE A 153 85.250 78.441 24.532 1.00 0.00 H ATOM 1162 H PHE A 153 83.399 78.511 20.109 1.00 0.00 H ATOM 1163 N LEU A 154 86.307 76.852 19.817 1.00 24.75 N ATOM 1164 CA LEU A 154 87.458 76.269 19.117 1.00 23.83 C ATOM 1165 C LEU A 154 88.394 77.349 18.591 1.00 22.13 C ATOM 1166 O LEU A 154 89.613 77.260 18.758 1.00 21.37 O ATOM 1167 CB LEU A 154 86.990 75.393 17.951 1.00 24.39 C ATOM 1168 CG LEU A 154 88.024 74.930 16.913 1.00 24.19 C ATOM 1169 CD1 LEU A 154 88.977 73.885 17.486 1.00 24.84 C ATOM 1170 CD2 LEU A 154 87.300 74.382 15.692 1.00 25.04 C ATOM 1171 HA LEU A 154 88.001 75.658 19.837 1.00 0.00 H ATOM 1172 HB2 LEU A 154 86.544 74.496 18.382 1.00 0.00 H ATOM 1173 HB3 LEU A 154 86.226 75.955 17.414 1.00 0.00 H ATOM 1174 HG LEU A 154 88.630 75.789 16.626 1.00 0.00 H ATOM 1175 HD21 LEU A 154 86.677 73.538 15.989 1.00 0.00 H ATOM 1176 HD22 LEU A 154 86.674 75.164 15.261 1.00 0.00 H ATOM 1177 HD23 LEU A 154 88.032 74.053 14.954 1.00 0.00 H ATOM 1178 HD11 LEU A 154 89.512 74.310 18.335 1.00 0.00 H ATOM 1179 HD12 LEU A 154 88.407 73.015 17.812 1.00 0.00 H ATOM 1180 HD13 LEU A 154 89.691 73.586 16.718 1.00 0.00 H ATOM 1181 H LEU A 154 85.348 76.595 19.506 1.00 0.00 H ATOM 1182 N LEU A 155 87.826 78.359 17.938 1.00 21.82 N ATOM 1183 CA LEU A 155 88.630 79.450 17.399 1.00 22.03 C ATOM 1184 C LEU A 155 89.388 80.179 18.512 1.00 22.38 C ATOM 1185 O LEU A 155 90.592 80.385 18.410 1.00 21.49 O ATOM 1186 CB LEU A 155 87.758 80.434 16.605 1.00 22.77 C ATOM 1187 CG LEU A 155 88.472 81.670 16.034 1.00 23.14 C ATOM 1188 CD1 LEU A 155 89.642 81.273 15.141 1.00 22.77 C ATOM 1189 CD2 LEU A 155 87.498 82.577 15.283 1.00 23.50 C ATOM 1190 HA LEU A 155 89.363 79.017 16.718 1.00 0.00 H ATOM 1191 HB2 LEU A 155 87.318 79.889 15.770 1.00 0.00 H ATOM 1192 HB3 LEU A 155 86.965 80.784 17.266 1.00 0.00 H ATOM 1193 HG LEU A 155 88.872 82.233 16.878 1.00 0.00 H ATOM 1194 HD21 LEU A 155 87.050 82.023 14.458 1.00 0.00 H ATOM 1195 HD22 LEU A 155 86.716 82.912 15.965 1.00 0.00 H ATOM 1196 HD23 LEU A 155 88.036 83.441 14.892 1.00 0.00 H ATOM 1197 HD11 LEU A 155 90.361 80.695 15.722 1.00 0.00 H ATOM 1198 HD12 LEU A 155 89.275 80.670 14.310 1.00 0.00 H ATOM 1199 HD13 LEU A 155 90.124 82.171 14.755 1.00 0.00 H ATOM 1200 H LEU A 155 86.794 78.371 17.810 1.00 0.00 H ATOM 1201 N ARG A 156 88.681 80.566 19.570 1.00 25.51 N ATOM 1202 CA ARG A 156 89.301 81.309 20.676 1.00 25.39 C ATOM 1203 C ARG A 156 90.418 80.498 21.344 1.00 22.62 C ATOM 1204 O ARG A 156 91.465 81.046 21.706 1.00 22.91 O ATOM 1205 CB ARG A 156 88.252 81.680 21.726 1.00 31.56 C ATOM 1206 CG ARG A 156 88.716 82.707 22.759 1.00 36.61 C ATOM 1207 CD ARG A 156 88.457 84.141 22.292 1.00 42.59 C ATOM 1208 NE ARG A 156 88.122 85.043 23.398 1.00 43.36 N ATOM 1209 CZ ARG A 156 87.692 86.294 23.250 1.00 44.29 C ATOM 1210 NH1 ARG A 156 87.533 86.821 22.038 1.00 46.02 N ATOM 1211 NH2 ARG A 156 87.414 87.028 24.325 1.00 47.84 N ATOM 1212 HA ARG A 156 89.735 82.215 20.253 1.00 0.00 H ATOM 1213 HB2 ARG A 156 87.383 82.087 21.209 1.00 0.00 H ATOM 1214 HB3 ARG A 156 87.965 80.771 22.255 1.00 0.00 H ATOM 1215 HG2 ARG A 156 88.178 82.537 23.692 1.00 0.00 H ATOM 1216 HG3 ARG A 156 89.785 82.579 22.929 1.00 0.00 H ATOM 1217 HD2 ARG A 156 87.628 84.133 21.584 1.00 0.00 H ATOM 1218 HD3 ARG A 156 89.353 84.514 21.796 1.00 0.00 H ATOM 1219 HE ARG A 156 88.228 84.680 24.367 1.00 0.00 H ATOM 1220 HH12 ARG A 156 87.196 87.800 21.937 1.00 0.00 H ATOM 1221 HH11 ARG A 156 87.745 86.254 21.192 1.00 0.00 H ATOM 1222 HH22 ARG A 156 87.078 88.006 24.214 1.00 0.00 H ATOM 1223 HH21 ARG A 156 87.533 86.624 25.276 1.00 0.00 H ATOM 1224 H ARG A 156 87.667 80.338 19.616 1.00 0.00 H ATOM 1225 N SER A 157 90.180 79.200 21.497 1.00 22.60 N ATOM 1226 CA SER A 157 91.089 78.313 22.222 1.00 24.05 C ATOM 1227 C SER A 157 92.313 77.926 21.397 1.00 23.61 C ATOM 1228 O SER A 157 93.446 77.998 21.890 1.00 23.24 O ATOM 1229 CB SER A 157 90.356 77.044 22.660 1.00 25.46 C ATOM 1230 OG SER A 157 89.235 77.339 23.474 1.00 27.22 O ATOM 1231 HA SER A 157 91.436 78.867 23.094 1.00 0.00 H ATOM 1232 HB2 SER A 157 91.045 76.414 23.223 1.00 0.00 H ATOM 1233 HB3 SER A 157 90.017 76.508 21.773 1.00 0.00 H ATOM 1234 HG SER A 157 88.601 77.906 22.967 1.00 0.00 H ATOM 1235 H SER A 157 89.313 78.799 21.085 1.00 0.00 H ATOM 1236 N LYS A 158 92.082 77.538 20.141 1.00 23.30 N ATOM 1237 CA LYS A 158 93.129 76.948 19.293 1.00 22.02 C ATOM 1238 C LYS A 158 93.657 77.840 18.166 1.00 21.46 C ATOM 1239 O LYS A 158 94.761 77.608 17.663 1.00 19.86 O ATOM 1240 CB LYS A 158 92.615 75.633 18.697 1.00 24.45 C ATOM 1241 CG LYS A 158 92.230 74.577 19.731 1.00 26.65 C ATOM 1242 CD LYS A 158 93.413 74.114 20.593 1.00 26.98 C ATOM 1243 CE LYS A 158 94.358 73.205 19.828 1.00 30.31 C ATOM 1244 NZ LYS A 158 95.588 72.909 20.624 1.00 29.32 N ATOM 1245 HA LYS A 158 93.980 76.796 19.957 1.00 0.00 H ATOM 1246 HB2 LYS A 158 91.736 75.854 18.092 1.00 0.00 H ATOM 1247 HB3 LYS A 158 93.397 75.218 18.061 1.00 0.00 H ATOM 1248 HG2 LYS A 158 91.467 74.996 20.387 1.00 0.00 H ATOM 1249 HG3 LYS A 158 91.823 73.712 19.208 1.00 0.00 H ATOM 1250 HD2 LYS A 158 93.966 74.991 20.931 1.00 0.00 H ATOM 1251 HD3 LYS A 158 93.028 73.573 21.457 1.00 0.00 H ATOM 1252 HE2 LYS A 158 94.646 73.694 18.897 1.00 0.00 H ATOM 1253 HE3 LYS A 158 93.847 72.269 19.603 1.00 0.00 H ATOM 1254 HZ1 LYS A 158 96.083 73.798 20.838 1.00 0.00 H ATOM 1255 HZ2 LYS A 158 95.320 72.438 21.512 1.00 0.00 H ATOM 1256 HZ3 LYS A 158 96.214 72.286 20.074 1.00 0.00 H ATOM 1257 H LYS A 158 91.127 77.657 19.748 1.00 0.00 H ATOM 1258 N GLY A 159 92.880 78.840 17.759 1.00 19.84 N ATOM 1259 CA GLY A 159 93.311 79.775 16.727 1.00 21.05 C ATOM 1260 C GLY A 159 93.004 79.293 15.320 1.00 19.31 C ATOM 1261 O GLY A 159 92.746 78.108 15.096 1.00 19.61 O ATOM 1262 HA3 GLY A 159 94.388 79.920 16.817 1.00 0.00 H ATOM 1263 HA2 GLY A 159 92.803 80.726 16.887 1.00 0.00 H ATOM 1264 H GLY A 159 91.940 78.958 18.188 1.00 0.00 H ATOM 1265 N GLN A 160 93.031 80.219 14.369 1.00 20.40 N ATOM 1266 CA GLN A 160 92.612 79.919 13.004 1.00 21.70 C ATOM 1267 C GLN A 160 93.605 79.025 12.250 1.00 21.92 C ATOM 1268 O GLN A 160 93.193 78.200 11.437 1.00 23.18 O ATOM 1269 CB GLN A 160 92.356 81.210 12.223 1.00 22.28 C ATOM 1270 CG GLN A 160 91.583 81.006 10.922 1.00 24.76 C ATOM 1271 CD GLN A 160 90.212 80.389 11.145 1.00 26.78 C ATOM 1272 OE1 GLN A 160 89.426 80.874 11.958 1.00 29.77 O ATOM 1273 NE2 GLN A 160 89.926 79.308 10.429 1.00 26.88 N ATOM 1274 HA GLN A 160 91.683 79.354 13.084 1.00 0.00 H ATOM 1275 HB2 GLN A 160 91.786 81.888 12.858 1.00 0.00 H ATOM 1276 HB3 GLN A 160 93.318 81.662 11.983 1.00 0.00 H ATOM 1277 HG2 GLN A 160 91.456 81.973 10.436 1.00 0.00 H ATOM 1278 HG3 GLN A 160 92.160 80.348 10.272 1.00 0.00 H ATOM 1279 HE22 GLN A 160 90.622 78.933 9.753 1.00 0.00 H ATOM 1280 HE21 GLN A 160 89.006 78.836 10.544 1.00 0.00 H ATOM 1281 H GLN A 160 93.358 81.178 14.602 1.00 0.00 H ATOM 1282 N GLU A 161 94.900 79.193 12.511 1.00 22.38 N ATOM 1283 CA GLU A 161 95.932 78.397 11.834 1.00 24.96 C ATOM 1284 C GLU A 161 95.761 76.905 12.106 1.00 22.95 C ATOM 1285 O GLU A 161 95.924 76.077 11.208 1.00 20.00 O ATOM 1286 CB GLU A 161 97.329 78.822 12.282 1.00 27.23 C ATOM 1287 CG GLU A 161 97.718 80.226 11.871 1.00 32.30 C ATOM 1288 CD GLU A 161 99.179 80.530 12.155 1.00 34.27 C ATOM 1289 OE1 GLU A 161 99.814 79.773 12.933 1.00 39.00 O ATOM 1290 OE2 GLU A 161 99.691 81.528 11.604 1.00 37.10 O ATOM 1291 HA GLU A 161 95.817 78.577 10.765 1.00 0.00 H ATOM 1292 HB2 GLU A 161 97.372 78.761 13.369 1.00 0.00 H ATOM 1293 HB3 GLU A 161 98.051 78.128 11.852 1.00 0.00 H ATOM 1294 HG2 GLU A 161 97.538 80.340 10.802 1.00 0.00 H ATOM 1295 HG3 GLU A 161 97.099 80.936 12.420 1.00 0.00 H ATOM 1296 H GLU A 161 95.188 79.906 13.212 1.00 0.00 H ATOM 1297 N TYR A 162 95.446 76.580 13.356 1.00 22.51 N ATOM 1298 CA TYR A 162 95.190 75.202 13.767 1.00 24.28 C ATOM 1299 C TYR A 162 94.012 74.614 12.996 1.00 24.21 C ATOM 1300 O TYR A 162 94.090 73.493 12.496 1.00 23.66 O ATOM 1301 CB TYR A 162 94.913 75.138 15.275 1.00 24.14 C ATOM 1302 CG TYR A 162 94.544 73.756 15.764 1.00 24.26 C ATOM 1303 CD1 TYR A 162 95.527 72.826 16.085 1.00 25.44 C ATOM 1304 CD2 TYR A 162 93.211 73.376 15.893 1.00 24.67 C ATOM 1305 CE1 TYR A 162 95.192 71.551 16.525 1.00 24.38 C ATOM 1306 CE2 TYR A 162 92.866 72.108 16.331 1.00 25.19 C ATOM 1307 CZ TYR A 162 93.860 71.197 16.643 1.00 25.41 C ATOM 1308 OH TYR A 162 93.517 69.936 17.080 1.00 25.24 O ATOM 1309 HA TYR A 162 96.079 74.612 13.543 1.00 0.00 H ATOM 1310 HB3 TYR A 162 94.091 75.816 15.504 1.00 0.00 H ATOM 1311 HB2 TYR A 162 95.808 75.464 15.804 1.00 0.00 H ATOM 1312 HD2 TYR A 162 92.425 74.089 15.645 1.00 0.00 H ATOM 1313 HE2 TYR A 162 91.817 71.829 16.429 1.00 0.00 H ATOM 1314 HE1 TYR A 162 95.974 70.834 16.776 1.00 0.00 H ATOM 1315 HD1 TYR A 162 96.577 73.102 15.990 1.00 0.00 H ATOM 1316 HH TYR A 162 94.340 69.415 17.258 1.00 0.00 H ATOM 1317 H TYR A 162 95.379 77.335 14.068 1.00 0.00 H ATOM 1318 N ILE A 163 92.927 75.379 12.900 1.00 25.00 N ATOM 1319 CA ILE A 163 91.714 74.930 12.212 1.00 25.26 C ATOM 1320 C ILE A 163 91.999 74.748 10.721 1.00 25.97 C ATOM 1321 O ILE A 163 91.619 73.735 10.129 1.00 27.18 O ATOM 1322 CB ILE A 163 90.534 75.929 12.395 1.00 24.96 C ATOM 1323 CG1 ILE A 163 90.193 76.119 13.881 1.00 25.38 C ATOM 1324 CG2 ILE A 163 89.299 75.441 11.652 1.00 24.92 C ATOM 1325 CD1 ILE A 163 89.194 77.247 14.141 1.00 24.76 C ATOM 1326 HA ILE A 163 91.420 73.979 12.657 1.00 0.00 H ATOM 1327 HB ILE A 163 90.849 76.887 11.982 1.00 0.00 H ATOM 1328 HG12 ILE A 163 89.769 75.189 14.259 1.00 0.00 H ATOM 1329 HG13 ILE A 163 91.114 76.343 14.420 1.00 0.00 H ATOM 1330 HD11 ILE A 163 89.608 78.188 13.779 1.00 0.00 H ATOM 1331 HD12 ILE A 163 88.262 77.033 13.618 1.00 0.00 H ATOM 1332 HD13 ILE A 163 89.002 77.321 15.211 1.00 0.00 H ATOM 1333 HG21 ILE A 163 89.527 75.353 10.590 1.00 0.00 H ATOM 1334 HG22 ILE A 163 89.002 74.468 12.043 1.00 0.00 H ATOM 1335 HG23 ILE A 163 88.486 76.154 11.793 1.00 0.00 H ATOM 1336 H ILE A 163 92.941 76.327 13.328 1.00 0.00 H ATOM 1337 N ASN A 164 92.675 75.731 10.127 1.00 24.62 N ATOM 1338 CA ASN A 164 93.042 75.691 8.713 1.00 26.68 C ATOM 1339 C ASN A 164 93.896 74.477 8.354 1.00 27.36 C ATOM 1340 O ASN A 164 93.688 73.860 7.310 1.00 28.50 O ATOM 1341 CB ASN A 164 93.788 76.971 8.310 1.00 24.89 C ATOM 1342 CG ASN A 164 92.878 78.190 8.237 1.00 23.93 C ATOM 1343 OD1 ASN A 164 91.664 78.091 8.403 1.00 25.45 O ATOM 1344 ND2 ASN A 164 93.470 79.350 7.984 1.00 24.48 N ATOM 1345 HA ASN A 164 92.106 75.613 8.159 1.00 0.00 H ATOM 1346 HB2 ASN A 164 94.570 77.164 9.044 1.00 0.00 H ATOM 1347 HB3 ASN A 164 94.241 76.816 7.331 1.00 0.00 H ATOM 1348 HD22 ASN A 164 94.501 79.390 7.850 1.00 0.00 H ATOM 1349 HD21 ASN A 164 92.904 80.220 7.920 1.00 0.00 H ATOM 1350 H ASN A 164 92.952 76.559 10.692 1.00 0.00 H ATOM 1351 N ASN A 165 94.850 74.141 9.219 1.00 28.98 N ATOM 1352 CA ASN A 165 95.754 73.012 8.976 1.00 32.92 C ATOM 1353 C ASN A 165 95.043 71.655 8.993 1.00 33.73 C ATOM 1354 O ASN A 165 95.451 70.732 8.293 1.00 32.82 O ATOM 1355 CB ASN A 165 96.913 73.022 9.984 1.00 36.08 C ATOM 1356 CG ASN A 165 97.921 74.138 9.717 1.00 39.45 C ATOM 1357 OD1 ASN A 165 97.860 74.823 8.693 1.00 40.97 O ATOM 1358 ND2 ASN A 165 98.856 74.322 10.645 1.00 41.06 N ATOM 1359 HA ASN A 165 96.148 73.144 7.968 1.00 0.00 H ATOM 1360 HB2 ASN A 165 96.503 73.155 10.985 1.00 0.00 H ATOM 1361 HB3 ASN A 165 97.431 72.064 9.929 1.00 0.00 H ATOM 1362 HD22 ASN A 165 98.871 73.722 11.494 1.00 0.00 H ATOM 1363 HD21 ASN A 165 99.572 75.066 10.522 1.00 0.00 H ATOM 1364 H ASN A 165 94.958 74.695 10.093 1.00 0.00 H ATOM 1365 N ILE A 166 93.979 71.542 9.784 1.00 35.65 N ATOM 1366 CA ILE A 166 93.158 70.331 9.805 1.00 36.92 C ATOM 1367 C ILE A 166 92.283 70.228 8.544 1.00 39.91 C ATOM 1368 O ILE A 166 91.945 69.126 8.113 1.00 40.58 O ATOM 1369 CB ILE A 166 92.312 70.262 11.095 1.00 36.53 C ATOM 1370 CG1 ILE A 166 93.241 70.106 12.304 1.00 37.48 C ATOM 1371 CG2 ILE A 166 91.331 69.093 11.054 1.00 36.96 C ATOM 1372 CD1 ILE A 166 92.559 70.227 13.624 1.00 37.05 C ATOM 1373 HA ILE A 166 93.826 69.470 9.803 1.00 0.00 H ATOM 1374 HB ILE A 166 91.738 71.185 11.177 1.00 0.00 H ATOM 1375 HG12 ILE A 166 93.709 69.123 12.250 1.00 0.00 H ATOM 1376 HG13 ILE A 166 94.010 70.876 12.245 1.00 0.00 H ATOM 1377 HD11 ILE A 166 92.095 71.210 13.703 1.00 0.00 H ATOM 1378 HD12 ILE A 166 91.794 69.455 13.708 1.00 0.00 H ATOM 1379 HD13 ILE A 166 93.291 70.104 14.422 1.00 0.00 H ATOM 1380 HG21 ILE A 166 90.659 69.214 10.204 1.00 0.00 H ATOM 1381 HG22 ILE A 166 91.884 68.159 10.951 1.00 0.00 H ATOM 1382 HG23 ILE A 166 90.752 69.074 11.977 1.00 0.00 H ATOM 1383 H ILE A 166 93.724 72.337 10.405 1.00 0.00 H ATOM 1384 N HIS A 167 91.946 71.374 7.948 1.00 41.76 N ATOM 1385 CA HIS A 167 91.173 71.428 6.699 1.00 41.42 C ATOM 1386 C HIS A 167 92.054 71.782 5.499 1.00 43.77 C ATOM 1387 O HIS A 167 93.135 71.223 5.318 1.00 44.46 O ATOM 1388 CB HIS A 167 90.044 72.455 6.818 1.00 42.53 C ATOM 1389 CG HIS A 167 88.928 72.024 7.718 1.00 43.58 C ATOM 1390 ND1 HIS A 167 87.701 71.615 7.240 1.00 44.25 N ATOM 1391 CD2 HIS A 167 88.855 71.932 9.067 1.00 42.94 C ATOM 1392 CE1 HIS A 167 86.921 71.290 8.255 1.00 43.42 C ATOM 1393 NE2 HIS A 167 87.597 71.473 9.374 1.00 43.14 N ATOM 1394 HA HIS A 167 90.755 70.435 6.535 1.00 0.00 H ATOM 1395 HB2 HIS A 167 90.462 73.383 7.209 1.00 0.00 H ATOM 1396 HB3 HIS A 167 89.635 72.633 5.824 1.00 0.00 H ATOM 1397 HD2 HIS A 167 89.646 72.176 9.776 1.00 0.00 H ATOM 1398 HE1 HIS A 167 85.894 70.932 8.181 1.00 0.00 H ATOM 1399 H HIS A 167 92.244 72.269 8.387 1.00 0.00 H TER 1400 HIS A 167 HETATM 1401 ZN ZN A 1 82.253 73.651 19.492 1.00 26.79 ZN HETATM 1402 O HOH 2 90.105 68.579 31.457 1.00 16.11 O HETATM 1403 O HOH 3 92.110 68.272 24.541 1.00 15.73 O HETATM 1404 O HOH 4 86.334 76.222 29.262 1.00 19.19 O HETATM 1405 O HOH 5 76.800 62.724 31.522 1.00 24.15 O HETATM 1406 O HOH 6 79.237 59.915 32.355 1.00 15.33 O HETATM 1407 O HOH 7 93.084 58.300 29.930 1.00 18.50 O HETATM 1408 O HOH 8 91.559 59.750 32.065 1.00 25.28 O HETATM 1409 O HOH 9 81.095 74.607 12.041 1.00 26.09 O HETATM 1410 O HOH 10 74.615 82.375 24.898 1.00 22.73 O HETATM 1411 O HOH 11 92.470 67.228 22.019 1.00 23.60 O HETATM 1412 O HOH 12 79.482 76.105 33.456 1.00 26.99 O HETATM 1413 O HOH 13 79.242 79.826 29.602 1.00 30.96 O HETATM 1414 O HOH 14 84.598 58.238 37.302 1.00 29.17 O HETATM 1415 O HOH 15 85.557 62.325 35.002 1.00 36.21 O HETATM 1416 O HOH 16 86.005 53.973 30.836 1.00 25.40 O HETATM 1417 O HOH 17 86.563 76.502 32.068 1.00 20.88 O HETATM 1418 O HOH 18 94.577 58.063 25.370 1.00 32.97 O HETATM 1419 O HOH 19 95.637 60.887 20.074 1.00 35.99 O HETATM 1420 O HOH 20 89.784 83.624 11.985 1.00 33.50 O HETATM 1421 O HOH 21 86.716 74.903 35.265 1.00 19.78 O HETATM 1422 O HOH 22 85.762 78.742 14.169 1.00 26.60 O HETATM 1423 O HOH 23 79.706 68.445 10.736 1.00 36.07 O HETATM 1424 O HOH 24 76.168 72.018 15.290 1.00 41.83 O HETATM 1425 O HOH 25 94.735 57.293 27.914 1.00 28.26 O HETATM 1426 O HOH 26 96.236 78.300 15.588 1.00 16.95 O HETATM 1427 O HOH 27 80.197 79.144 17.254 1.00 21.36 O HETATM 1428 O HOH 28 89.333 68.192 39.765 1.00 35.10 O HETATM 1429 O HOH 29 84.353 78.673 28.672 1.00 41.28 O HETATM 1430 O HOH 30 74.596 65.405 16.193 1.00 53.12 O HETATM 1431 O HOH 31 89.386 52.366 28.981 1.00 27.01 O HETATM 1432 O HOH 32 91.180 83.017 18.339 1.00 23.02 O HETATM 1433 O HOH 33 96.687 75.609 18.492 1.00 29.65 O HETATM 1434 O HOH 34 73.644 75.959 17.948 1.00 38.07 O HETATM 1435 O HOH 35 93.934 69.390 26.162 1.00 24.81 O HETATM 1436 O HOH 36 87.784 72.526 4.135 1.00 55.01 O HETATM 1437 O HOH 37 77.846 55.338 28.260 1.00 30.26 O HETATM 1438 O HOH 38 84.819 81.151 23.979 1.00 39.70 O HETATM 1439 O HOH 39 88.574 55.611 34.723 1.00 41.46 O HETATM 1440 O HOH 40 88.645 77.066 28.208 1.00 26.84 O HETATM 1441 O HOH 41 95.600 82.170 10.611 1.00 38.93 O HETATM 1442 O HOH 42 75.340 83.434 27.338 1.00 30.87 O HETATM 1443 O HOH 43 95.718 71.617 23.368 1.00 43.16 O HETATM 1444 O HOH 44 95.301 68.676 18.388 1.00 21.39 O HETATM 1445 O HOH 45 87.603 61.121 34.687 1.00 44.87 O HETATM 1446 O HOH 46 79.412 77.206 36.115 1.00 37.67 O HETATM 1447 O HOH 47 84.385 56.303 33.608 1.00 38.75 O HETATM 1448 O HOH 48 96.386 71.934 13.141 1.00 34.53 O HETATM 1449 O HOH 49 85.206 60.993 36.694 1.00 40.70 O HETATM 1450 O HOH 50 97.106 75.554 21.517 1.00 33.66 O HETATM 1451 O HOH 51 82.969 75.464 37.672 1.00 37.57 O HETATM 1452 O HOH 52 92.479 64.601 35.825 1.00 26.83 O HETATM 1453 O HOH 53 74.378 54.553 27.299 1.00 36.51 O HETATM 1454 O HOH 54 72.756 57.330 17.480 1.00 41.62 O HETATM 1455 O HOH 55 92.029 68.108 33.122 1.00 25.72 O HETATM 1456 O HOH 56 90.212 61.004 35.430 1.00 35.26 O HETATM 1457 O HOH 57 91.753 67.196 35.770 1.00 26.74 O HETATM 1458 O HOH 58 72.891 62.441 31.234 1.00 27.01 O HETATM 1459 O HOH 59 93.631 72.040 25.763 1.00 34.89 O HETATM 1460 O HOH 60 93.711 68.757 29.136 1.00 30.37 O HETATM 1461 O HOH 61 78.062 82.262 29.332 1.00 36.25 O HETATM 1462 O HOH 62 92.081 74.126 29.531 1.00 36.64 O HETATM 1463 O HOH 63 72.142 73.002 17.578 1.00 37.79 O HETATM 1464 O HOH 64 79.000 68.057 35.577 1.00 31.87 O HETATM 1465 O HOH 65 76.647 58.927 32.557 1.00 29.68 O HETATM 1466 O HOH 66 92.918 71.182 30.518 1.00 29.57 O HETATM 1467 O HOH 67 89.434 75.977 32.176 1.00 31.58 O HETATM 1468 O HOH 68 87.113 78.206 10.448 1.00 34.89 O HETATM 1469 O HOH 69 82.978 73.542 39.339 1.00 36.69 O HETATM 1470 O HOH 70 72.773 66.118 17.539 1.00 38.07 O HETATM 1471 O HOH 71 92.434 59.687 22.367 1.00 24.65 O HETATM 1472 O HOH 72 92.293 49.063 21.978 1.00 35.06 O HETATM 1473 O HOH 73 89.820 59.114 33.905 1.00 40.08 O HETATM 1474 O HOH 74 73.506 70.535 17.279 1.00 29.54 O HETATM 1475 O HOH 75 87.138 50.276 27.330 1.00 44.17 O HETATM 1476 O HOH 76 92.543 81.915 7.532 1.00 42.47 O HETATM 1477 O HOH 77 91.765 49.499 24.477 1.00 36.77 O HETATM 1478 O HOH 78 83.911 50.716 29.384 1.00 40.84 O HETATM 1479 O HOH 79 87.572 81.008 25.618 1.00 43.89 O HETATM 1480 O HOH 80 78.609 52.483 26.871 1.00 43.89 O HETATM 1481 O HOH 81 72.387 69.519 26.395 1.00 14.12 O HETATM 1482 O HOH 82 91.461 62.678 15.787 1.00 21.05 O HETATM 1483 O HOH 83 72.121 64.498 23.059 1.00 19.08 O HETATM 1484 O HOH 84 94.878 66.635 30.066 1.00 23.63 O HETATM 1485 O HOH 85 96.704 68.037 26.171 1.00 27.27 O HETATM 1486 O HOH 86 83.735 56.021 14.113 1.00 28.84 O HETATM 1487 O HOH 87 88.831 52.007 18.384 1.00 32.40 O HETATM 1488 O HOH 88 72.787 61.970 23.740 1.00 23.68 O HETATM 1489 O HOH 89 70.341 55.959 24.534 1.00 42.32 O HETATM 1490 O HOH 90 75.409 67.857 16.293 1.00 36.43 O HETATM 1491 O HOH 91 86.942 61.556 12.132 1.00 33.13 O HETATM 1492 O HOH 92 83.288 54.123 20.218 1.00 30.18 O HETATM 1493 O HOH 93 96.018 52.241 17.307 1.00 41.91 O HETATM 1494 O HOH 94 70.938 60.211 23.217 1.00 32.37 O HETATM 1495 O HOH 95 77.939 55.480 19.911 1.00 31.29 O HETATM 1496 O25 G A 13 75.605 61.033 15.538 1.00 -0.39 O HETATM 1497 C24 G A 13 75.889 62.091 16.072 1.00 0.20 C HETATM 1498 C26 G A 13 75.448 62.385 17.489 1.00 0.06 C HETATM 1499 C27 G A 13 76.437 62.760 18.393 1.00 -0.04 C HETATM 1500 C28 G A 13 76.124 63.066 19.717 1.00 -0.05 C HETATM 1501 C29 G A 13 74.800 62.999 20.141 1.00 -0.05 C HETATM 1502 C30 G A 13 73.803 62.631 19.238 1.00 -0.01 C HETATM 1503 C32 G A 13 72.483 62.571 19.683 1.00 -0.05 C HETATM 1504 C33 G A 13 71.462 62.207 18.810 1.00 -0.06 C HETATM 1505 C34 G A 13 71.764 61.903 17.486 1.00 -0.06 C HETATM 1506 C35 G A 13 73.082 61.961 17.038 1.00 -0.05 C HETATM 1507 C31 G A 13 74.116 62.326 17.912 1.00 -0.00 C HETATM 1508 H5 G A 13 73.310 61.722 16.006 1.00 0.06 H HETATM 1509 H6 G A 13 70.972 61.620 16.802 1.00 0.06 H HETATM 1510 H7 G A 13 70.437 62.160 19.160 1.00 0.06 H HETATM 1511 H4 G A 13 72.251 62.809 20.715 1.00 0.06 H HETATM 1512 H3 G A 13 74.545 63.232 21.169 1.00 0.07 H HETATM 1513 H2 G A 13 76.906 63.354 20.411 1.00 0.06 H HETATM 1514 H1 G A 13 77.468 62.815 18.063 1.00 0.07 H HETATM 1515 N23 G A 13 76.593 63.040 15.449 1.00 -0.28 N HETATM 1516 C20 G A 13 77.311 62.856 14.202 1.00 0.06 C HETATM 1517 C16 G A 13 78.574 63.718 14.200 1.00 0.07 C HETATM 1518 C17 G A 13 78.323 64.903 13.288 1.00 -0.01 C HETATM 1519 C22 G A 13 77.036 64.626 12.516 1.00 -0.05 C HETATM 1520 C21 G A 13 76.446 63.321 13.043 1.00 -0.03 C HETATM 1521 H14 G A 13 75.415 63.489 13.389 1.00 0.03 H HETATM 1522 H15 G A 13 76.447 62.562 12.247 1.00 0.03 H HETATM 1523 H12 G A 13 77.257 64.530 11.443 1.00 0.03 H HETATM 1524 H13 G A 13 76.322 65.449 12.671 1.00 0.03 H HETATM 1525 C18 G A 13 79.530 65.011 12.380 1.00 -0.03 C HETATM 1526 C19 G A 13 80.130 63.617 12.350 1.00 0.03 C HETATM 1527 N15 G A 13 79.722 63.009 13.616 1.00 -0.27 N HETATM 1528 C13 G A 13 80.275 61.980 14.271 1.00 0.20 C HETATM 1529 O14 G A 13 79.897 61.672 15.393 1.00 -0.39 O HETATM 1530 C8 G A 13 81.395 61.189 13.642 1.00 0.14 C HETATM 1531 C9 G A 13 80.860 59.962 12.893 1.00 0.00 C HETATM 1532 C12 G A 13 79.982 60.406 11.729 1.00 -0.06 C HETATM 1533 H21 G A 13 79.603 59.521 11.197 1.00 0.02 H HETATM 1534 H22 G A 13 80.574 61.023 11.037 1.00 0.02 H HETATM 1535 H23 G A 13 79.135 60.995 12.112 1.00 0.02 H HETATM 1536 C11 G A 13 80.028 59.069 13.807 1.00 -0.06 C HETATM 1537 H24 G A 13 80.644 58.737 14.655 1.00 0.02 H HETATM 1538 H25 G A 13 79.678 58.192 13.243 1.00 0.02 H HETATM 1539 H26 G A 13 79.162 59.634 14.182 1.00 0.02 H HETATM 1540 C10 G A 13 82.009 59.149 12.304 1.00 -0.06 C HETATM 1541 H27 G A 13 82.611 59.790 11.644 1.00 0.02 H HETATM 1542 H28 G A 13 81.603 58.306 11.725 1.00 0.02 H HETATM 1543 H29 G A 13 82.641 58.764 13.118 1.00 0.02 H HETATM 1544 N7 G A 13 82.342 60.795 14.676 1.00 -0.26 N HETATM 1545 C5 G A 13 83.666 60.828 14.537 1.00 0.23 C HETATM 1546 O6 G A 13 84.224 61.235 13.530 1.00 -0.39 O HETATM 1547 C3 G A 13 84.464 60.299 15.698 1.00 0.06 C HETATM 1548 C4 G A 13 84.592 61.350 16.797 1.00 -0.00 C HETATM 1549 H32 G A 13 85.178 60.938 17.632 1.00 0.03 H HETATM 1550 H33 G A 13 83.590 61.630 17.155 1.00 0.03 H HETATM 1551 H34 G A 13 85.100 62.240 16.396 1.00 0.03 H HETATM 1552 N2 G A 13 85.775 59.849 15.274 1.00 0.24 N HETATM 1553 C1 G A 13 85.894 58.674 14.426 1.00 -0.04 C HETATM 1554 H37 G A 13 86.956 58.485 14.208 1.00 0.08 H HETATM 1555 H38 G A 13 85.351 58.845 13.485 1.00 0.08 H HETATM 1556 H39 G A 13 85.466 57.803 14.944 1.00 0.08 H HETATM 1557 H35 G A 13 86.304 59.660 16.111 1.00 0.20 H HETATM 1558 H36 G A 13 86.199 60.614 14.774 1.00 0.20 H HETATM 1559 H31 G A 13 83.925 59.434 16.113 1.00 0.11 H HETATM 1560 H30 G A 13 81.973 60.478 15.550 1.00 0.19 H HETATM 1561 H20 G A 13 81.914 61.834 12.918 1.00 0.08 H HETATM 1562 H18 G A 13 81.227 63.668 12.280 1.00 0.05 H HETATM 1563 H19 G A 13 79.735 63.043 11.499 1.00 0.05 H HETATM 1564 H16 G A 13 80.254 65.734 12.784 1.00 0.03 H HETATM 1565 H17 G A 13 79.226 65.322 11.370 1.00 0.03 H HETATM 1566 H11 G A 13 78.212 65.829 13.872 1.00 0.03 H HETATM 1567 H10 G A 13 78.806 64.045 15.224 1.00 0.06 H HETATM 1568 H9 G A 13 77.575 61.795 14.078 1.00 0.06 H HETATM 1569 H8 G A 13 76.628 63.945 15.874 1.00 0.18 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 695 694 699 1401 CONECT 746 745 750 1401 CONECT 1011 1009 1010 1401 CONECT 1120 1119 1124 1401 CONECT 1401 695 746 1011 1120 CONECT 1496 1497 CONECT 1497 1496 1498 1515 CONECT 1498 1497 1499 1507 CONECT 1499 1498 1500 1514 CONECT 1500 1499 1501 1513 CONECT 1501 1500 1502 1512 CONECT 1502 1501 1503 1507 CONECT 1503 1502 1504 1511 CONECT 1504 1503 1505 1510 CONECT 1505 1504 1506 1509 CONECT 1506 1505 1507 1508 CONECT 1507 1498 1502 1506 CONECT 1508 1506 CONECT 1509 1505 CONECT 1510 1504 CONECT 1511 1503 CONECT 1512 1501 CONECT 1513 1500 CONECT 1514 1499 CONECT 1515 1497 1516 1569 CONECT 1516 1515 1517 1520 1568 CONECT 1517 1516 1518 1527 1567 CONECT 1518 1517 1519 1525 1566 CONECT 1519 1518 1520 1523 1524 CONECT 1520 1516 1519 1521 1522 CONECT 1521 1520 CONECT 1522 1520 CONECT 1523 1519 CONECT 1524 1519 CONECT 1525 1518 1526 1564 1565 CONECT 1526 1525 1527 1562 1563 CONECT 1527 1517 1526 1528 CONECT 1528 1527 1529 1530 CONECT 1529 1528 CONECT 1530 1528 1531 1544 1561 CONECT 1531 1530 1532 1536 1540 CONECT 1532 1531 1533 1534 1535 CONECT 1533 1532 CONECT 1534 1532 CONECT 1535 1532 CONECT 1536 1531 1537 1538 1539 CONECT 1537 1536 CONECT 1538 1536 CONECT 1539 1536 CONECT 1540 1531 1541 1542 1543 CONECT 1541 1540 CONECT 1542 1540 CONECT 1543 1540 CONECT 1544 1530 1545 1560 CONECT 1545 1544 1546 1547 CONECT 1546 1545 CONECT 1547 1545 1548 1552 1559 CONECT 1548 1547 1549 1550 1551 CONECT 1549 1548 CONECT 1550 1548 CONECT 1551 1548 CONECT 1552 1547 1553 1557 1558 CONECT 1553 1552 1554 1555 1556 CONECT 1554 1553 CONECT 1555 1553 CONECT 1556 1553 CONECT 1557 1552 CONECT 1558 1552 CONECT 1559 1547 CONECT 1560 1544 CONECT 1561 1530 CONECT 1562 1526 CONECT 1563 1526 CONECT 1564 1525 CONECT 1565 1525 CONECT 1566 1518 CONECT 1567 1517 CONECT 1568 1516 CONECT 1569 1515 MASTER 0 0 0 0 0 0 0 0 1568 1 83 7 END
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Structure:
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Related entries of code: 3f7i
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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3f7g
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PDBbind
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3f7h
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3f7i
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Baculoviral IAP repeat-containing protein 7
Ligand Name
G13
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Ki=46nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Med.Chem. Vol. 52: pp. 1723-1730
Ligand Properties
Formula
C
2
8
H
3
9
N
4
O
3
Molecular Weight
479.634
Exact Mass
479.302
No. of atoms
74
No. of bonds
77
Polar Surface Area
95.12
LOGP Value
4.06 (
Computed with XLOGP3
)
2.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
C[NH2+][C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c1cccc2c1cccc2)C
InChI String
InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/p+1/t17-,19+,22-,23-,24+/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):
Q96CA5
Entrez Gene ID
NCBI Entrez Gene ID:
79444
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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