Browse entries in the PDBbind-CN Database
HEADER 3GT9_COMPLEX COMPND 3GT9_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 UNN A 241 73 ATOM 1 N GLY A 78 76.880 84.312 21.444 1.00 40.58 N ATOM 2 CA GLY A 78 77.338 83.606 22.674 1.00 37.22 C ATOM 3 C GLY A 78 77.257 82.096 22.538 1.00 37.04 C ATOM 4 O GLY A 78 76.895 81.584 21.476 1.00 39.77 O ATOM 5 HA3 GLY A 78 76.712 83.917 23.510 1.00 0.00 H ATOM 6 HA2 GLY A 78 78.373 83.885 22.873 1.00 0.00 H ATOM 7 HN3 GLY A 78 75.890 84.059 21.249 1.00 0.00 H ATOM 8 HN2 GLY A 78 77.477 84.029 20.641 1.00 0.00 H ATOM 9 HN1 GLY A 78 76.955 85.339 21.587 1.00 0.00 H ATOM 10 N PRO A 79 77.585 81.371 23.617 1.00 35.97 N ATOM 11 CA PRO A 79 77.562 79.909 23.557 1.00 33.89 C ATOM 12 C PRO A 79 76.148 79.349 23.436 1.00 32.03 C ATOM 13 O PRO A 79 75.197 79.935 23.957 1.00 31.62 O ATOM 14 CB PRO A 79 78.211 79.476 24.877 1.00 34.12 C ATOM 15 CG PRO A 79 78.169 80.651 25.767 1.00 37.04 C ATOM 16 CD PRO A 79 77.980 81.881 24.942 1.00 36.26 C ATOM 17 HA PRO A 79 78.084 79.535 22.676 1.00 0.00 H ATOM 18 HD3 PRO A 79 77.197 82.512 25.363 1.00 0.00 H ATOM 19 HD2 PRO A 79 78.908 82.449 24.877 1.00 0.00 H ATOM 20 HG3 PRO A 79 79.105 80.723 26.322 1.00 0.00 H ATOM 21 HG2 PRO A 79 77.340 80.550 26.467 1.00 0.00 H ATOM 22 HB2 PRO A 79 77.654 78.649 25.318 1.00 0.00 H ATOM 23 HB3 PRO A 79 79.243 79.168 24.707 1.00 0.00 H ATOM 24 N ALA A 80 76.024 78.225 22.735 1.00 31.79 N ATOM 25 CA ALA A 80 74.748 77.526 22.597 1.00 31.99 C ATOM 26 C ALA A 80 74.247 77.031 23.951 1.00 30.89 C ATOM 27 O ALA A 80 73.043 77.059 24.225 1.00 31.50 O ATOM 28 CB ALA A 80 74.899 76.351 21.636 1.00 31.44 C ATOM 29 HA ALA A 80 74.016 78.227 22.197 1.00 0.00 H ATOM 30 HB1 ALA A 80 75.214 76.720 20.660 1.00 0.00 H ATOM 31 HB2 ALA A 80 75.647 75.660 22.024 1.00 0.00 H ATOM 32 HB3 ALA A 80 73.943 75.837 21.540 1.00 0.00 H ATOM 33 H ALA A 80 76.865 77.830 22.269 1.00 0.00 H ATOM 34 N PHE A 81 75.187 76.588 24.786 1.00 30.46 N ATOM 35 CA PHE A 81 74.897 75.987 26.086 1.00 31.71 C ATOM 36 C PHE A 81 75.840 76.626 27.113 1.00 30.97 C ATOM 37 O PHE A 81 76.850 76.028 27.480 1.00 32.42 O ATOM 38 CB PHE A 81 75.131 74.476 25.994 1.00 32.43 C ATOM 39 CG PHE A 81 74.610 73.673 27.169 1.00 32.81 C ATOM 40 CD1 PHE A 81 74.254 74.262 28.378 1.00 33.35 C ATOM 41 CD2 PHE A 81 74.509 72.295 27.054 1.00 35.41 C ATOM 42 CE1 PHE A 81 73.787 73.490 29.437 1.00 33.45 C ATOM 43 CE2 PHE A 81 74.050 71.521 28.108 1.00 35.63 C ATOM 44 CZ PHE A 81 73.694 72.117 29.297 1.00 33.49 C ATOM 45 HA PHE A 81 73.863 76.157 26.386 1.00 0.00 H ATOM 46 HB2 PHE A 81 74.640 74.112 25.091 1.00 0.00 H ATOM 47 HB3 PHE A 81 76.205 74.304 25.916 1.00 0.00 H ATOM 48 HD2 PHE A 81 74.795 71.813 26.119 1.00 0.00 H ATOM 49 HE2 PHE A 81 73.971 70.440 27.996 1.00 0.00 H ATOM 50 HZ PHE A 81 73.339 71.507 30.128 1.00 0.00 H ATOM 51 HE1 PHE A 81 73.495 73.965 30.374 1.00 0.00 H ATOM 52 HD1 PHE A 81 74.342 75.342 28.497 1.00 0.00 H ATOM 53 H PHE A 81 76.182 76.675 24.496 1.00 0.00 H ATOM 54 N PRO A 82 75.517 77.851 27.568 1.00 32.11 N ATOM 55 CA PRO A 82 76.394 78.571 28.502 1.00 32.45 C ATOM 56 C PRO A 82 76.677 77.818 29.805 1.00 32.46 C ATOM 57 O PRO A 82 77.748 77.980 30.389 1.00 34.07 O ATOM 58 CB PRO A 82 75.621 79.862 28.799 1.00 32.76 C ATOM 59 CG PRO A 82 74.637 80.002 27.714 1.00 33.89 C ATOM 60 CD PRO A 82 74.322 78.635 27.213 1.00 32.28 C ATOM 61 HA PRO A 82 77.380 78.722 28.062 1.00 0.00 H ATOM 62 HD3 PRO A 82 73.434 78.236 27.704 1.00 0.00 H ATOM 63 HD2 PRO A 82 74.167 78.642 26.134 1.00 0.00 H ATOM 64 HG3 PRO A 82 75.055 80.606 26.909 1.00 0.00 H ATOM 65 HG2 PRO A 82 73.732 80.478 28.092 1.00 0.00 H ATOM 66 HB2 PRO A 82 75.116 79.789 29.762 1.00 0.00 H ATOM 67 HB3 PRO A 82 76.298 80.716 28.809 1.00 0.00 H ATOM 68 N GLY A 83 75.723 77.003 30.246 1.00 31.46 N ATOM 69 CA GLY A 83 75.860 76.225 31.476 1.00 32.33 C ATOM 70 C GLY A 83 77.011 75.233 31.483 1.00 33.44 C ATOM 71 O GLY A 83 77.432 74.783 32.549 1.00 34.16 O ATOM 72 HA3 GLY A 83 74.934 75.671 31.631 1.00 0.00 H ATOM 73 HA2 GLY A 83 76.008 76.921 32.302 1.00 0.00 H ATOM 74 H GLY A 83 74.846 76.916 29.694 1.00 0.00 H ATOM 75 N MET A 84 77.510 74.877 30.301 1.00 32.46 N ATOM 76 CA MET A 84 78.667 73.988 30.188 1.00 33.77 C ATOM 77 C MET A 84 79.937 74.729 29.762 1.00 33.52 C ATOM 78 O MET A 84 80.869 74.116 29.251 1.00 34.41 O ATOM 79 CB MET A 84 78.356 72.834 29.226 1.00 35.11 C ATOM 80 CG MET A 84 77.555 71.725 29.877 1.00 35.92 C ATOM 81 SD MET A 84 78.543 70.809 31.076 1.00 36.63 S ATOM 82 CE MET A 84 77.481 70.925 32.508 1.00 37.16 C ATOM 83 HA MET A 84 78.863 73.581 31.180 1.00 0.00 H ATOM 84 HB2 MET A 84 77.787 73.227 28.384 1.00 0.00 H ATOM 85 HB3 MET A 84 79.297 72.418 28.865 1.00 0.00 H ATOM 86 HG2 MET A 84 77.209 71.038 29.105 1.00 0.00 H ATOM 87 HG3 MET A 84 76.695 72.161 30.386 1.00 0.00 H ATOM 88 HE1 MET A 84 77.333 71.974 32.765 1.00 0.00 H ATOM 89 HE2 MET A 84 76.519 70.465 32.283 1.00 0.00 H ATOM 90 HE3 MET A 84 77.946 70.406 33.346 1.00 0.00 H ATOM 91 H MET A 84 77.065 75.241 29.434 1.00 0.00 H ATOM 92 N GLY A 85 79.981 76.038 30.006 1.00 34.58 N ATOM 93 CA GLY A 85 81.161 76.844 29.703 1.00 35.08 C ATOM 94 C GLY A 85 82.350 76.582 30.612 1.00 36.29 C ATOM 95 O GLY A 85 83.491 76.887 30.249 1.00 37.88 O ATOM 96 HA3 GLY A 85 80.888 77.896 29.792 1.00 0.00 H ATOM 97 HA2 GLY A 85 81.463 76.634 28.677 1.00 0.00 H ATOM 98 H GLY A 85 79.149 76.500 30.425 1.00 0.00 H ATOM 99 N SER A 86 82.091 76.022 31.792 1.00 34.89 N ATOM 100 CA SER A 86 83.148 75.674 32.741 1.00 34.40 C ATOM 101 C SER A 86 83.808 74.353 32.366 1.00 33.83 C ATOM 102 O SER A 86 83.137 73.327 32.289 1.00 33.28 O ATOM 103 CB SER A 86 82.583 75.558 34.157 1.00 35.32 C ATOM 104 OG SER A 86 83.486 74.868 35.008 1.00 35.33 O ATOM 105 HA SER A 86 83.892 76.470 32.706 1.00 0.00 H ATOM 106 HB2 SER A 86 81.639 75.014 34.121 1.00 0.00 H ATOM 107 HB3 SER A 86 82.410 76.558 34.555 1.00 0.00 H ATOM 108 HG SER A 86 83.099 74.806 35.917 1.00 0.00 H ATOM 109 H SER A 86 81.102 75.825 32.048 1.00 0.00 H ATOM 110 N GLU A 87 85.125 74.370 32.174 1.00 34.47 N ATOM 111 CA GLU A 87 85.864 73.147 31.842 1.00 34.44 C ATOM 112 C GLU A 87 85.693 72.073 32.920 1.00 33.51 C ATOM 113 O GLU A 87 85.539 70.891 32.605 1.00 33.98 O ATOM 114 CB GLU A 87 87.351 73.451 31.625 1.00 35.78 C ATOM 115 CG GLU A 87 88.172 72.248 31.146 1.00 36.58 C ATOM 116 CD GLU A 87 89.609 72.600 30.796 1.00 39.33 C ATOM 117 OE1 GLU A 87 89.947 73.802 30.750 1.00 42.81 O ATOM 118 OE2 GLU A 87 90.406 71.665 30.564 1.00 40.28 O ATOM 119 HA GLU A 87 85.447 72.758 30.913 1.00 0.00 H ATOM 120 HB2 GLU A 87 87.434 74.241 30.879 1.00 0.00 H ATOM 121 HB3 GLU A 87 87.771 73.799 32.569 1.00 0.00 H ATOM 122 HG2 GLU A 87 88.182 71.499 31.938 1.00 0.00 H ATOM 123 HG3 GLU A 87 87.692 71.832 30.260 1.00 0.00 H ATOM 124 H GLU A 87 85.641 75.269 32.261 1.00 0.00 H ATOM 125 N GLU A 88 85.707 72.484 34.184 1.00 32.49 N ATOM 126 CA GLU A 88 85.547 71.538 35.292 1.00 32.28 C ATOM 127 C GLU A 88 84.185 70.839 35.233 1.00 32.13 C ATOM 128 O GLU A 88 84.102 69.629 35.449 1.00 32.58 O ATOM 129 CB GLU A 88 85.740 72.243 36.636 1.00 34.06 C ATOM 130 CG GLU A 88 85.698 71.324 37.857 1.00 33.79 C ATOM 131 CD GLU A 88 86.954 70.483 38.058 1.00 36.95 C ATOM 132 OE1 GLU A 88 87.829 70.436 37.166 1.00 38.58 O ATOM 133 OE2 GLU A 88 87.061 69.852 39.134 1.00 36.94 O ATOM 134 HA GLU A 88 86.317 70.773 35.193 1.00 0.00 H ATOM 135 HB2 GLU A 88 86.709 72.742 36.621 1.00 0.00 H ATOM 136 HB3 GLU A 88 84.951 72.987 36.745 1.00 0.00 H ATOM 137 HG2 GLU A 88 85.556 71.942 38.744 1.00 0.00 H ATOM 138 HG3 GLU A 88 84.850 70.649 37.746 1.00 0.00 H ATOM 139 H GLU A 88 85.834 73.495 34.391 1.00 0.00 H ATOM 140 N LEU A 89 83.122 71.588 34.936 1.00 31.81 N ATOM 141 CA LEU A 89 81.791 70.982 34.801 1.00 31.56 C ATOM 142 C LEU A 89 81.770 70.006 33.628 1.00 32.42 C ATOM 143 O LEU A 89 81.204 68.912 33.731 1.00 33.26 O ATOM 144 CB LEU A 89 80.697 72.045 34.627 1.00 32.66 C ATOM 145 CG LEU A 89 80.421 72.992 35.796 1.00 33.75 C ATOM 146 CD1 LEU A 89 79.140 73.789 35.542 1.00 34.23 C ATOM 147 CD2 LEU A 89 80.324 72.258 37.113 1.00 33.83 C ATOM 148 HA LEU A 89 81.581 70.439 35.723 1.00 0.00 H ATOM 149 HB2 LEU A 89 80.976 72.660 33.771 1.00 0.00 H ATOM 150 HB3 LEU A 89 79.767 71.520 34.409 1.00 0.00 H ATOM 151 HG LEU A 89 81.266 73.677 35.865 1.00 0.00 H ATOM 152 HD21 LEU A 89 79.512 71.533 37.064 1.00 0.00 H ATOM 153 HD22 LEU A 89 81.263 71.741 37.309 1.00 0.00 H ATOM 154 HD23 LEU A 89 80.127 72.973 37.912 1.00 0.00 H ATOM 155 HD11 LEU A 89 79.252 74.373 34.629 1.00 0.00 H ATOM 156 HD12 LEU A 89 78.301 73.101 35.434 1.00 0.00 H ATOM 157 HD13 LEU A 89 78.957 74.458 36.383 1.00 0.00 H ATOM 158 H LEU A 89 83.237 72.612 34.799 1.00 0.00 H ATOM 159 N ARG A 90 82.400 70.393 32.521 1.00 33.82 N ATOM 160 CA ARG A 90 82.509 69.498 31.370 1.00 32.92 C ATOM 161 C ARG A 90 83.254 68.216 31.752 1.00 33.93 C ATOM 162 O ARG A 90 82.819 67.120 31.407 1.00 34.09 O ATOM 163 CB ARG A 90 83.190 70.195 30.186 1.00 33.43 C ATOM 164 CG ARG A 90 82.369 71.347 29.603 1.00 32.19 C ATOM 165 CD ARG A 90 82.802 71.719 28.199 1.00 34.25 C ATOM 166 NE ARG A 90 84.194 72.160 28.133 1.00 34.84 N ATOM 167 CZ ARG A 90 84.629 73.392 28.398 1.00 35.43 C ATOM 168 NH1 ARG A 90 83.793 74.355 28.761 1.00 34.11 N ATOM 169 NH2 ARG A 90 85.925 73.671 28.302 1.00 34.30 N ATOM 170 HA ARG A 90 81.500 69.228 31.058 1.00 0.00 H ATOM 171 HB2 ARG A 90 84.149 70.590 30.522 1.00 0.00 H ATOM 172 HB3 ARG A 90 83.357 69.458 29.401 1.00 0.00 H ATOM 173 HG2 ARG A 90 81.320 71.051 29.578 1.00 0.00 H ATOM 174 HG3 ARG A 90 82.484 72.219 30.247 1.00 0.00 H ATOM 175 HD2 ARG A 90 82.163 72.526 27.840 1.00 0.00 H ATOM 176 HD3 ARG A 90 82.682 70.848 27.555 1.00 0.00 H ATOM 177 HE ARG A 90 84.905 71.453 27.856 1.00 0.00 H ATOM 178 HH12 ARG A 90 84.155 75.309 28.963 1.00 0.00 H ATOM 179 HH11 ARG A 90 82.775 74.156 28.844 1.00 0.00 H ATOM 180 HH22 ARG A 90 86.267 74.631 28.508 1.00 0.00 H ATOM 181 HH21 ARG A 90 86.597 72.929 28.021 1.00 0.00 H ATOM 182 H ARG A 90 82.820 71.343 32.474 1.00 0.00 H ATOM 183 N LEU A 91 84.358 68.350 32.484 1.00 33.27 N ATOM 184 CA LEU A 91 85.137 67.184 32.894 1.00 32.75 C ATOM 185 C LEU A 91 84.301 66.249 33.767 1.00 32.11 C ATOM 186 O LEU A 91 84.351 65.030 33.602 1.00 32.05 O ATOM 187 CB LEU A 91 86.404 67.612 33.636 1.00 32.17 C ATOM 188 CG LEU A 91 87.365 66.495 34.045 1.00 33.50 C ATOM 189 CD1 LEU A 91 87.699 65.583 32.868 1.00 34.70 C ATOM 190 CD2 LEU A 91 88.625 67.094 34.647 1.00 34.22 C ATOM 191 HA LEU A 91 85.429 66.643 31.994 1.00 0.00 H ATOM 192 HB2 LEU A 91 86.950 68.299 32.990 1.00 0.00 H ATOM 193 HB3 LEU A 91 86.097 68.134 34.542 1.00 0.00 H ATOM 194 HG LEU A 91 86.874 65.878 34.797 1.00 0.00 H ATOM 195 HD21 LEU A 91 89.109 67.735 33.910 1.00 0.00 H ATOM 196 HD22 LEU A 91 88.362 67.683 35.525 1.00 0.00 H ATOM 197 HD23 LEU A 91 89.305 66.292 34.936 1.00 0.00 H ATOM 198 HD11 LEU A 91 86.783 65.129 32.491 1.00 0.00 H ATOM 199 HD12 LEU A 91 88.168 66.169 32.078 1.00 0.00 H ATOM 200 HD13 LEU A 91 88.384 64.802 33.198 1.00 0.00 H ATOM 201 H LEU A 91 84.671 69.300 32.769 1.00 0.00 H ATOM 202 N ALA A 92 83.525 66.831 34.683 1.00 31.63 N ATOM 203 CA ALA A 92 82.679 66.056 35.590 1.00 32.14 C ATOM 204 C ALA A 92 81.664 65.206 34.833 1.00 31.21 C ATOM 205 O ALA A 92 81.301 64.123 35.292 1.00 33.27 O ATOM 206 CB ALA A 92 81.966 66.974 36.572 1.00 33.29 C ATOM 207 HA ALA A 92 83.331 65.380 36.143 1.00 0.00 H ATOM 208 HB1 ALA A 92 82.705 67.521 37.158 1.00 0.00 H ATOM 209 HB2 ALA A 92 81.342 67.679 36.022 1.00 0.00 H ATOM 210 HB3 ALA A 92 81.342 66.378 37.238 1.00 0.00 H ATOM 211 H ALA A 92 83.522 67.869 34.754 1.00 0.00 H ATOM 212 N SER A 93 81.225 65.685 33.670 1.00 31.85 N ATOM 213 CA SER A 93 80.238 64.963 32.863 1.00 32.48 C ATOM 214 C SER A 93 80.767 63.630 32.320 1.00 32.42 C ATOM 215 O SER A 93 79.978 62.779 31.915 1.00 32.72 O ATOM 216 CB SER A 93 79.740 65.834 31.700 1.00 33.59 C ATOM 217 OG SER A 93 80.673 65.874 30.634 1.00 33.79 O ATOM 218 HA SER A 93 79.409 64.735 33.533 1.00 0.00 H ATOM 219 HB2 SER A 93 79.576 66.848 32.064 1.00 0.00 H ATOM 220 HB3 SER A 93 78.799 65.425 31.331 1.00 0.00 H ATOM 221 HG SER A 93 81.529 66.250 30.960 1.00 0.00 H ATOM 222 H SER A 93 81.592 66.595 33.326 1.00 0.00 H ATOM 223 N PHE A 94 82.090 63.449 32.314 1.00 31.91 N ATOM 224 CA PHE A 94 82.706 62.215 31.807 1.00 32.51 C ATOM 225 C PHE A 94 82.894 61.126 32.873 1.00 32.37 C ATOM 226 O PHE A 94 83.664 60.187 32.670 1.00 33.91 O ATOM 227 CB PHE A 94 84.044 62.536 31.133 1.00 33.06 C ATOM 228 CG PHE A 94 83.897 63.288 29.844 1.00 32.42 C ATOM 229 CD1 PHE A 94 83.663 62.611 28.654 1.00 32.37 C ATOM 230 CD2 PHE A 94 83.962 64.670 29.824 1.00 32.88 C ATOM 231 CE1 PHE A 94 83.504 63.303 27.464 1.00 33.18 C ATOM 232 CE2 PHE A 94 83.813 65.371 28.639 1.00 33.82 C ATOM 233 CZ PHE A 94 83.580 64.686 27.456 1.00 33.78 C ATOM 234 HA PHE A 94 82.007 61.802 31.080 1.00 0.00 H ATOM 235 HB2 PHE A 94 84.641 63.138 31.818 1.00 0.00 H ATOM 236 HB3 PHE A 94 84.562 61.599 30.929 1.00 0.00 H ATOM 237 HD2 PHE A 94 84.133 65.214 30.753 1.00 0.00 H ATOM 238 HE2 PHE A 94 83.879 66.459 28.636 1.00 0.00 H ATOM 239 HZ PHE A 94 83.457 65.235 26.522 1.00 0.00 H ATOM 240 HE1 PHE A 94 83.320 62.760 26.537 1.00 0.00 H ATOM 241 HD1 PHE A 94 83.604 61.523 28.656 1.00 0.00 H ATOM 242 H PHE A 94 82.704 64.205 32.680 1.00 0.00 H ATOM 243 N TYR A 95 82.175 61.218 33.990 1.00 32.51 N ATOM 244 CA TYR A 95 82.312 60.217 35.053 1.00 32.45 C ATOM 245 C TYR A 95 82.002 58.804 34.557 1.00 31.99 C ATOM 246 O TYR A 95 82.558 57.838 35.069 1.00 33.32 O ATOM 247 CB TYR A 95 81.442 60.566 36.268 1.00 33.77 C ATOM 248 CG TYR A 95 79.948 60.418 36.065 1.00 33.74 C ATOM 249 CD1 TYR A 95 79.310 59.197 36.278 1.00 34.17 C ATOM 250 CD2 TYR A 95 79.167 61.507 35.694 1.00 35.65 C ATOM 251 CE1 TYR A 95 77.941 59.062 36.104 1.00 33.68 C ATOM 252 CE2 TYR A 95 77.796 61.383 35.523 1.00 34.84 C ATOM 253 CZ TYR A 95 77.191 60.160 35.723 1.00 34.71 C ATOM 254 OH TYR A 95 75.830 60.041 35.555 1.00 36.53 O ATOM 255 HA TYR A 95 83.356 60.234 35.365 1.00 0.00 H ATOM 256 HB3 TYR A 95 81.643 61.602 36.539 1.00 0.00 H ATOM 257 HB2 TYR A 95 81.736 59.913 37.090 1.00 0.00 H ATOM 258 HD2 TYR A 95 79.641 62.476 35.535 1.00 0.00 H ATOM 259 HE2 TYR A 95 77.200 62.248 35.232 1.00 0.00 H ATOM 260 HE1 TYR A 95 77.459 58.098 36.266 1.00 0.00 H ATOM 261 HD1 TYR A 95 79.898 58.333 36.587 1.00 0.00 H ATOM 262 HH TYR A 95 75.557 59.107 35.735 1.00 0.00 H ATOM 263 H TYR A 95 81.509 62.008 34.110 1.00 0.00 H ATOM 264 N ASP A 96 81.129 58.709 33.553 1.00 32.45 N ATOM 265 CA ASP A 96 80.693 57.430 32.978 1.00 33.97 C ATOM 266 C ASP A 96 81.208 57.210 31.548 1.00 34.44 C ATOM 267 O ASP A 96 80.653 56.404 30.797 1.00 33.32 O ATOM 268 CB ASP A 96 79.160 57.346 33.001 1.00 37.60 C ATOM 269 CG ASP A 96 78.484 58.527 32.305 1.00 40.90 C ATOM 270 OD1 ASP A 96 79.185 59.470 31.859 1.00 42.42 O ATOM 271 OD2 ASP A 96 77.237 58.514 32.219 1.00 44.90 O ATOM 272 HA ASP A 96 81.123 56.640 33.594 1.00 0.00 H ATOM 273 HB2 ASP A 96 78.855 56.427 32.500 1.00 0.00 H ATOM 274 HB3 ASP A 96 78.829 57.319 34.039 1.00 0.00 H ATOM 275 H ASP A 96 80.737 59.587 33.157 1.00 0.00 H ATOM 276 N TRP A 97 82.271 57.920 31.182 1.00 33.13 N ATOM 277 CA TRP A 97 82.857 57.820 29.847 1.00 32.90 C ATOM 278 C TRP A 97 83.407 56.406 29.622 1.00 32.35 C ATOM 279 O TRP A 97 84.162 55.904 30.453 1.00 32.34 O ATOM 280 CB TRP A 97 83.966 58.861 29.710 1.00 32.85 C ATOM 281 CG TRP A 97 84.640 58.917 28.372 1.00 32.95 C ATOM 282 CD1 TRP A 97 85.944 58.625 28.108 1.00 33.24 C ATOM 283 CD2 TRP A 97 84.056 59.313 27.120 1.00 32.47 C ATOM 284 NE1 TRP A 97 86.211 58.806 26.773 1.00 32.50 N ATOM 285 CE2 TRP A 97 85.071 59.226 26.142 1.00 33.18 C ATOM 286 CE3 TRP A 97 82.779 59.729 26.731 1.00 33.19 C ATOM 287 CZ2 TRP A 97 84.847 59.538 24.800 1.00 32.39 C ATOM 288 CZ3 TRP A 97 82.555 60.040 25.395 1.00 32.93 C ATOM 289 CH2 TRP A 97 83.585 59.940 24.445 1.00 33.31 C ATOM 290 HA TRP A 97 82.095 58.012 29.092 1.00 0.00 H ATOM 291 HB2 TRP A 97 83.533 59.841 29.909 1.00 0.00 H ATOM 292 HB3 TRP A 97 84.726 58.642 30.460 1.00 0.00 H ATOM 293 HE1 TRP A 97 87.131 58.649 26.315 1.00 0.00 H ATOM 294 HD1 TRP A 97 86.671 58.295 28.850 1.00 0.00 H ATOM 295 HZ2 TRP A 97 85.646 59.465 24.062 1.00 0.00 H ATOM 296 HH2 TRP A 97 83.377 60.187 23.404 1.00 0.00 H ATOM 297 HZ3 TRP A 97 81.564 60.367 25.079 1.00 0.00 H ATOM 298 HE3 TRP A 97 81.974 59.808 27.462 1.00 0.00 H ATOM 299 H TRP A 97 82.701 58.570 31.871 1.00 0.00 H ATOM 300 N PRO A 98 83.009 55.748 28.514 1.00 32.44 N ATOM 301 CA PRO A 98 83.433 54.369 28.244 1.00 31.09 C ATOM 302 C PRO A 98 84.803 54.179 27.571 1.00 30.25 C ATOM 303 O PRO A 98 85.214 53.031 27.367 1.00 32.13 O ATOM 304 CB PRO A 98 82.335 53.865 27.304 1.00 30.91 C ATOM 305 CG PRO A 98 81.949 55.072 26.532 1.00 30.85 C ATOM 306 CD PRO A 98 82.084 56.240 27.473 1.00 31.66 C ATOM 307 HA PRO A 98 83.559 53.839 29.188 1.00 0.00 H ATOM 308 HD3 PRO A 98 82.502 57.106 26.960 1.00 0.00 H ATOM 309 HD2 PRO A 98 81.119 56.505 27.904 1.00 0.00 H ATOM 310 HG3 PRO A 98 80.920 54.984 26.185 1.00 0.00 H ATOM 311 HG2 PRO A 98 82.611 55.199 25.675 1.00 0.00 H ATOM 312 HB2 PRO A 98 82.716 53.086 26.643 1.00 0.00 H ATOM 313 HB3 PRO A 98 81.487 53.477 27.869 1.00 0.00 H ATOM 314 N LEU A 99 85.496 55.270 27.243 1.00 30.87 N ATOM 315 CA LEU A 99 86.736 55.211 26.455 1.00 31.28 C ATOM 316 C LEU A 99 87.891 55.990 27.096 1.00 31.90 C ATOM 317 O LEU A 99 88.649 56.670 26.402 1.00 32.67 O ATOM 318 CB LEU A 99 86.471 55.751 25.046 1.00 32.20 C ATOM 319 CG LEU A 99 85.479 54.967 24.188 1.00 33.60 C ATOM 320 CD1 LEU A 99 85.221 55.710 22.877 1.00 34.03 C ATOM 321 CD2 LEU A 99 85.989 53.564 23.927 1.00 34.91 C ATOM 322 HA LEU A 99 87.041 54.165 26.415 1.00 0.00 H ATOM 323 HB2 LEU A 99 86.090 56.767 25.147 1.00 0.00 H ATOM 324 HB3 LEU A 99 87.423 55.772 24.515 1.00 0.00 H ATOM 325 HG LEU A 99 84.536 54.882 24.728 1.00 0.00 H ATOM 326 HD21 LEU A 99 86.944 53.617 23.403 1.00 0.00 H ATOM 327 HD22 LEU A 99 86.122 53.045 24.876 1.00 0.00 H ATOM 328 HD23 LEU A 99 85.267 53.024 23.314 1.00 0.00 H ATOM 329 HD11 LEU A 99 84.808 56.695 23.094 1.00 0.00 H ATOM 330 HD12 LEU A 99 86.159 55.820 22.332 1.00 0.00 H ATOM 331 HD13 LEU A 99 84.513 55.143 22.273 1.00 0.00 H ATOM 332 H LEU A 99 85.146 56.198 27.556 1.00 0.00 H ATOM 333 N THR A 100 88.046 55.863 28.412 1.00 33.80 N ATOM 334 CA THR A 100 89.022 56.669 29.153 1.00 34.22 C ATOM 335 C THR A 100 90.446 56.555 28.607 1.00 33.31 C ATOM 336 O THR A 100 91.103 57.569 28.384 1.00 33.78 O ATOM 337 CB THR A 100 89.025 56.321 30.654 1.00 38.56 C ATOM 338 OG1 THR A 100 87.746 56.640 31.214 1.00 42.54 O ATOM 339 CG2 THR A 100 90.101 57.120 31.386 1.00 38.77 C ATOM 340 HA THR A 100 88.697 57.701 29.017 1.00 0.00 H ATOM 341 HB THR A 100 89.233 55.257 30.768 1.00 0.00 H ATOM 342 HG1 THR A 100 87.045 56.116 30.752 1.00 0.00 H ATOM 343 HG23 THR A 100 91.078 56.882 30.965 1.00 0.00 H ATOM 344 HG21 THR A 100 89.903 58.186 31.269 1.00 0.00 H ATOM 345 HG22 THR A 100 90.087 56.861 32.445 1.00 0.00 H ATOM 346 H THR A 100 87.461 55.175 28.928 1.00 0.00 H ATOM 347 N ALA A 101 90.915 55.330 28.388 1.00 33.33 N ATOM 348 CA ALA A 101 92.267 55.115 27.857 1.00 34.47 C ATOM 349 C ALA A 101 92.387 55.565 26.399 1.00 36.25 C ATOM 350 O ALA A 101 93.428 56.073 25.983 1.00 39.59 O ATOM 351 CB ALA A 101 92.665 53.650 27.996 1.00 35.27 C ATOM 352 HA ALA A 101 92.951 55.727 28.445 1.00 0.00 H ATOM 353 HB1 ALA A 101 92.647 53.368 29.049 1.00 0.00 H ATOM 354 HB2 ALA A 101 91.962 53.029 27.441 1.00 0.00 H ATOM 355 HB3 ALA A 101 93.670 53.508 27.598 1.00 0.00 H ATOM 356 H ALA A 101 90.313 54.508 28.597 1.00 0.00 H ATOM 357 N GLU A 102 91.310 55.397 25.636 1.00 33.60 N ATOM 358 CA GLU A 102 91.329 55.622 24.191 1.00 34.98 C ATOM 359 C GLU A 102 91.234 57.104 23.818 1.00 34.48 C ATOM 360 O GLU A 102 91.921 57.564 22.903 1.00 34.73 O ATOM 361 CB GLU A 102 90.195 54.834 23.523 1.00 36.84 C ATOM 362 CG GLU A 102 90.361 53.309 23.583 1.00 38.47 C ATOM 363 CD GLU A 102 89.906 52.680 24.899 1.00 40.26 C ATOM 364 OE1 GLU A 102 90.061 51.450 25.051 1.00 42.81 O ATOM 365 OE2 GLU A 102 89.397 53.400 25.782 1.00 37.69 O ATOM 366 HA GLU A 102 92.292 55.267 23.825 1.00 0.00 H ATOM 367 HB2 GLU A 102 89.260 55.095 24.019 1.00 0.00 H ATOM 368 HB3 GLU A 102 90.144 55.131 22.475 1.00 0.00 H ATOM 369 HG2 GLU A 102 89.777 52.869 22.774 1.00 0.00 H ATOM 370 HG3 GLU A 102 91.415 53.074 23.438 1.00 0.00 H ATOM 371 H GLU A 102 90.421 55.094 26.084 1.00 0.00 H ATOM 372 N VAL A 103 90.366 57.835 24.515 1.00 32.45 N ATOM 373 CA VAL A 103 90.195 59.274 24.314 1.00 32.99 C ATOM 374 C VAL A 103 89.996 59.918 25.691 1.00 33.05 C ATOM 375 O VAL A 103 88.906 59.833 26.262 1.00 34.38 O ATOM 376 CB VAL A 103 88.987 59.597 23.396 1.00 34.01 C ATOM 377 CG1 VAL A 103 88.927 61.095 23.097 1.00 35.63 C ATOM 378 CG2 VAL A 103 89.058 58.800 22.096 1.00 35.01 C ATOM 379 HA VAL A 103 91.080 59.671 23.818 1.00 0.00 H ATOM 380 HB VAL A 103 88.078 59.308 23.923 1.00 0.00 H ATOM 381 HG11 VAL A 103 88.820 61.647 24.031 1.00 0.00 H ATOM 382 HG12 VAL A 103 89.845 61.401 22.596 1.00 0.00 H ATOM 383 HG13 VAL A 103 88.073 61.302 22.452 1.00 0.00 H ATOM 384 HG21 VAL A 103 89.977 59.052 21.567 1.00 0.00 H ATOM 385 HG22 VAL A 103 89.049 57.734 22.324 1.00 0.00 H ATOM 386 HG23 VAL A 103 88.199 59.047 21.473 1.00 0.00 H ATOM 387 H VAL A 103 89.783 57.362 25.235 1.00 0.00 H ATOM 388 N PRO A 104 91.054 60.541 26.246 1.00 33.12 N ATOM 389 CA PRO A 104 90.985 61.096 27.604 1.00 32.85 C ATOM 390 C PRO A 104 89.889 62.147 27.813 1.00 33.53 C ATOM 391 O PRO A 104 89.809 63.113 27.050 1.00 32.94 O ATOM 392 CB PRO A 104 92.364 61.742 27.794 1.00 33.86 C ATOM 393 CG PRO A 104 93.242 61.065 26.833 1.00 33.77 C ATOM 394 CD PRO A 104 92.385 60.741 25.649 1.00 33.42 C ATOM 395 HA PRO A 104 90.737 60.312 28.319 1.00 0.00 H ATOM 396 HD3 PRO A 104 92.375 61.565 24.936 1.00 0.00 H ATOM 397 HD2 PRO A 104 92.731 59.835 25.151 1.00 0.00 H ATOM 398 HG3 PRO A 104 93.648 60.152 27.268 1.00 0.00 H ATOM 399 HG2 PRO A 104 94.061 61.722 26.540 1.00 0.00 H ATOM 400 HB2 PRO A 104 92.318 62.810 27.583 1.00 0.00 H ATOM 401 HB3 PRO A 104 92.721 61.589 28.812 1.00 0.00 H ATOM 402 N PRO A 105 89.042 61.960 28.841 1.00 32.76 N ATOM 403 CA PRO A 105 88.108 63.008 29.255 1.00 32.50 C ATOM 404 C PRO A 105 88.745 64.386 29.430 1.00 32.83 C ATOM 405 O PRO A 105 88.128 65.391 29.083 1.00 35.25 O ATOM 406 CB PRO A 105 87.591 62.495 30.601 1.00 34.31 C ATOM 407 CG PRO A 105 87.638 61.024 30.463 1.00 34.38 C ATOM 408 CD PRO A 105 88.863 60.732 29.639 1.00 34.20 C ATOM 409 HA PRO A 105 87.342 63.168 28.496 1.00 0.00 H ATOM 410 HD3 PRO A 105 89.728 60.552 30.277 1.00 0.00 H ATOM 411 HD2 PRO A 105 88.702 59.868 28.994 1.00 0.00 H ATOM 412 HG3 PRO A 105 86.744 60.661 29.957 1.00 0.00 H ATOM 413 HG2 PRO A 105 87.717 60.552 31.442 1.00 0.00 H ATOM 414 HB2 PRO A 105 88.233 62.829 31.416 1.00 0.00 H ATOM 415 HB3 PRO A 105 86.571 62.836 30.780 1.00 0.00 H ATOM 416 N GLU A 106 89.963 64.426 29.966 1.00 33.83 N ATOM 417 CA GLU A 106 90.668 65.686 30.186 1.00 33.80 C ATOM 418 C GLU A 106 90.821 66.458 28.876 1.00 34.70 C ATOM 419 O GLU A 106 90.612 67.668 28.837 1.00 34.73 O ATOM 420 CB GLU A 106 92.044 65.446 30.817 1.00 35.53 C ATOM 421 CG GLU A 106 92.007 65.049 32.301 1.00 37.40 C ATOM 422 CD GLU A 106 91.663 63.583 32.549 1.00 40.13 C ATOM 423 OE1 GLU A 106 91.490 63.216 33.732 1.00 43.20 O ATOM 424 OE2 GLU A 106 91.564 62.797 31.584 1.00 37.92 O ATOM 425 HA GLU A 106 90.071 66.282 30.877 1.00 0.00 H ATOM 426 HB2 GLU A 106 92.538 64.647 30.263 1.00 0.00 H ATOM 427 HB3 GLU A 106 92.625 66.363 30.725 1.00 0.00 H ATOM 428 HG2 GLU A 106 92.988 65.248 32.733 1.00 0.00 H ATOM 429 HG3 GLU A 106 91.260 65.665 32.801 1.00 0.00 H ATOM 430 H GLU A 106 90.426 63.535 30.236 1.00 0.00 H ATOM 431 N LEU A 107 91.177 65.749 27.806 1.00 33.55 N ATOM 432 CA LEU A 107 91.349 66.377 26.495 1.00 33.87 C ATOM 433 C LEU A 107 90.007 66.765 25.877 1.00 34.05 C ATOM 434 O LEU A 107 89.888 67.830 25.266 1.00 34.29 O ATOM 435 CB LEU A 107 92.123 65.458 25.545 1.00 35.75 C ATOM 436 CG LEU A 107 93.608 65.252 25.856 1.00 37.45 C ATOM 437 CD1 LEU A 107 94.217 64.280 24.858 1.00 39.43 C ATOM 438 CD2 LEU A 107 94.360 66.575 25.843 1.00 39.79 C ATOM 439 HA LEU A 107 91.926 67.289 26.647 1.00 0.00 H ATOM 440 HB2 LEU A 107 91.641 64.480 25.563 1.00 0.00 H ATOM 441 HB3 LEU A 107 92.049 65.879 24.542 1.00 0.00 H ATOM 442 HG LEU A 107 93.695 64.831 26.858 1.00 0.00 H ATOM 443 HD21 LEU A 107 94.270 67.033 24.858 1.00 0.00 H ATOM 444 HD22 LEU A 107 93.935 67.240 26.595 1.00 0.00 H ATOM 445 HD23 LEU A 107 95.412 66.396 26.067 1.00 0.00 H ATOM 446 HD11 LEU A 107 93.700 63.323 24.923 1.00 0.00 H ATOM 447 HD12 LEU A 107 94.113 64.683 23.851 1.00 0.00 H ATOM 448 HD13 LEU A 107 95.273 64.140 25.087 1.00 0.00 H ATOM 449 H LEU A 107 91.336 64.726 27.904 1.00 0.00 H ATOM 450 N LEU A 108 89.005 65.900 26.025 1.00 33.40 N ATOM 451 CA LEU A 108 87.658 66.205 25.538 1.00 33.07 C ATOM 452 C LEU A 108 87.104 67.473 26.195 1.00 33.24 C ATOM 453 O LEU A 108 86.639 68.381 25.502 1.00 34.02 O ATOM 454 CB LEU A 108 86.713 65.022 25.774 1.00 33.63 C ATOM 455 CG LEU A 108 86.970 63.816 24.861 1.00 33.77 C ATOM 456 CD1 LEU A 108 86.447 62.524 25.484 1.00 34.59 C ATOM 457 CD2 LEU A 108 86.356 64.035 23.481 1.00 34.61 C ATOM 458 HA LEU A 108 87.727 66.384 24.465 1.00 0.00 H ATOM 459 HB2 LEU A 108 86.824 64.697 26.808 1.00 0.00 H ATOM 460 HB3 LEU A 108 85.691 65.363 25.610 1.00 0.00 H ATOM 461 HG LEU A 108 88.049 63.718 24.744 1.00 0.00 H ATOM 462 HD21 LEU A 108 85.280 64.175 23.582 1.00 0.00 H ATOM 463 HD22 LEU A 108 86.798 64.921 23.024 1.00 0.00 H ATOM 464 HD23 LEU A 108 86.553 63.165 22.855 1.00 0.00 H ATOM 465 HD11 LEU A 108 86.950 62.351 26.436 1.00 0.00 H ATOM 466 HD12 LEU A 108 85.373 62.611 25.649 1.00 0.00 H ATOM 467 HD13 LEU A 108 86.646 61.691 24.810 1.00 0.00 H ATOM 468 H LEU A 108 89.183 64.990 26.496 1.00 0.00 H ATOM 469 N ALA A 109 87.176 67.534 27.522 1.00 34.26 N ATOM 470 CA ALA A 109 86.685 68.690 28.277 1.00 33.16 C ATOM 471 C ALA A 109 87.436 69.966 27.900 1.00 32.86 C ATOM 472 O ALA A 109 86.821 71.013 27.714 1.00 33.57 O ATOM 473 CB ALA A 109 86.789 68.432 29.788 1.00 33.50 C ATOM 474 HA ALA A 109 85.636 68.833 28.017 1.00 0.00 H ATOM 475 HB1 ALA A 109 86.190 67.559 30.048 1.00 0.00 H ATOM 476 HB2 ALA A 109 87.831 68.252 30.054 1.00 0.00 H ATOM 477 HB3 ALA A 109 86.419 69.302 30.330 1.00 0.00 H ATOM 478 H ALA A 109 87.594 66.735 28.040 1.00 0.00 H ATOM 479 N ALA A 110 88.761 69.874 27.778 1.00 32.74 N ATOM 480 CA ALA A 110 89.583 71.022 27.376 1.00 33.28 C ATOM 481 C ALA A 110 89.181 71.560 26.002 1.00 34.16 C ATOM 482 O ALA A 110 89.216 72.773 25.767 1.00 35.41 O ATOM 483 CB ALA A 110 91.065 70.647 27.385 1.00 33.13 C ATOM 484 HA ALA A 110 89.411 71.816 28.103 1.00 0.00 H ATOM 485 HB1 ALA A 110 91.354 70.338 28.389 1.00 0.00 H ATOM 486 HB2 ALA A 110 91.235 69.827 26.688 1.00 0.00 H ATOM 487 HB3 ALA A 110 91.659 71.510 27.084 1.00 0.00 H ATOM 488 H ALA A 110 89.225 68.964 27.973 1.00 0.00 H ATOM 489 N ALA A 111 88.786 70.651 25.111 1.00 32.96 N ATOM 490 CA ALA A 111 88.369 70.993 23.753 1.00 34.12 C ATOM 491 C ALA A 111 86.916 71.462 23.635 1.00 35.12 C ATOM 492 O ALA A 111 86.418 71.624 22.522 1.00 33.65 O ATOM 493 CB ALA A 111 88.609 69.808 22.826 1.00 34.39 C ATOM 494 HA ALA A 111 88.980 71.846 23.458 1.00 0.00 H ATOM 495 HB1 ALA A 111 89.670 69.558 22.826 1.00 0.00 H ATOM 496 HB2 ALA A 111 88.032 68.952 23.176 1.00 0.00 H ATOM 497 HB3 ALA A 111 88.296 70.070 21.815 1.00 0.00 H ATOM 498 H ALA A 111 88.774 69.651 25.396 1.00 0.00 H ATOM 499 N GLY A 112 86.240 71.672 24.767 1.00 34.68 N ATOM 500 CA GLY A 112 84.897 72.252 24.780 1.00 34.73 C ATOM 501 C GLY A 112 83.767 71.244 24.862 1.00 34.13 C ATOM 502 O GLY A 112 82.594 71.624 24.926 1.00 33.04 O ATOM 503 HA3 GLY A 112 84.769 72.831 23.865 1.00 0.00 H ATOM 504 HA2 GLY A 112 84.823 72.915 25.642 1.00 0.00 H ATOM 505 H GLY A 112 86.684 71.414 25.672 1.00 0.00 H ATOM 506 N PHE A 113 84.110 69.958 24.886 1.00 33.53 N ATOM 507 CA PHE A 113 83.114 68.892 24.820 1.00 33.86 C ATOM 508 C PHE A 113 82.635 68.436 26.192 1.00 35.07 C ATOM 509 O PHE A 113 83.421 68.359 27.135 1.00 34.07 O ATOM 510 CB PHE A 113 83.674 67.685 24.064 1.00 33.59 C ATOM 511 CG PHE A 113 84.016 67.975 22.628 1.00 33.65 C ATOM 512 CD1 PHE A 113 83.014 68.260 21.712 1.00 33.41 C ATOM 513 CD2 PHE A 113 85.331 67.959 22.191 1.00 34.79 C ATOM 514 CE1 PHE A 113 83.312 68.531 20.389 1.00 33.50 C ATOM 515 CE2 PHE A 113 85.641 68.224 20.863 1.00 33.87 C ATOM 516 CZ PHE A 113 84.627 68.511 19.959 1.00 33.42 C ATOM 517 HA PHE A 113 82.257 69.310 24.292 1.00 0.00 H ATOM 518 HB2 PHE A 113 84.578 67.350 24.572 1.00 0.00 H ATOM 519 HB3 PHE A 113 82.930 66.889 24.087 1.00 0.00 H ATOM 520 HD2 PHE A 113 86.131 67.736 22.897 1.00 0.00 H ATOM 521 HE2 PHE A 113 86.679 68.207 20.531 1.00 0.00 H ATOM 522 HZ PHE A 113 84.866 68.719 18.916 1.00 0.00 H ATOM 523 HE1 PHE A 113 82.512 68.760 19.686 1.00 0.00 H ATOM 524 HD1 PHE A 113 81.975 68.271 22.040 1.00 0.00 H ATOM 525 H PHE A 113 85.117 69.705 24.954 1.00 0.00 H ATOM 526 N PHE A 114 81.340 68.143 26.291 1.00 34.33 N ATOM 527 CA PHE A 114 80.787 67.438 27.447 1.00 34.12 C ATOM 528 C PHE A 114 80.166 66.131 26.980 1.00 34.55 C ATOM 529 O PHE A 114 79.794 65.988 25.814 1.00 35.04 O ATOM 530 CB PHE A 114 79.758 68.291 28.204 1.00 34.52 C ATOM 531 CG PHE A 114 78.565 68.699 27.380 1.00 33.62 C ATOM 532 CD1 PHE A 114 77.462 67.864 27.263 1.00 32.54 C ATOM 533 CD2 PHE A 114 78.538 69.928 26.735 1.00 34.77 C ATOM 534 CE1 PHE A 114 76.358 68.240 26.506 1.00 33.19 C ATOM 535 CE2 PHE A 114 77.436 70.309 25.977 1.00 34.48 C ATOM 536 CZ PHE A 114 76.344 69.464 25.866 1.00 34.61 C ATOM 537 HA PHE A 114 81.597 67.232 28.147 1.00 0.00 H ATOM 538 HB2 PHE A 114 79.402 67.717 29.060 1.00 0.00 H ATOM 539 HB3 PHE A 114 80.256 69.195 28.556 1.00 0.00 H ATOM 540 HD2 PHE A 114 79.390 70.602 26.824 1.00 0.00 H ATOM 541 HE2 PHE A 114 77.432 71.274 25.470 1.00 0.00 H ATOM 542 HZ PHE A 114 75.478 69.764 25.276 1.00 0.00 H ATOM 543 HE1 PHE A 114 75.504 67.569 26.418 1.00 0.00 H ATOM 544 HD1 PHE A 114 77.461 66.900 27.772 1.00 0.00 H ATOM 545 H PHE A 114 80.700 68.425 25.521 1.00 0.00 H ATOM 546 N HIS A 115 80.065 65.178 27.901 1.00 34.80 N ATOM 547 CA HIS A 115 79.487 63.873 27.613 1.00 34.50 C ATOM 548 C HIS A 115 77.967 63.945 27.702 1.00 35.29 C ATOM 549 O HIS A 115 77.424 64.441 28.689 1.00 34.52 O ATOM 550 CB HIS A 115 80.014 62.853 28.622 1.00 34.73 C ATOM 551 CG HIS A 115 79.679 61.433 28.291 1.00 34.51 C ATOM 552 ND1 HIS A 115 79.534 60.461 29.257 1.00 33.95 N ATOM 553 CD2 HIS A 115 79.458 60.820 27.105 1.00 33.75 C ATOM 554 CE1 HIS A 115 79.248 59.308 28.679 1.00 34.27 C ATOM 555 NE2 HIS A 115 79.190 59.501 27.374 1.00 33.94 N ATOM 556 HA HIS A 115 79.768 63.569 26.605 1.00 0.00 H ATOM 557 HB2 HIS A 115 81.099 62.947 28.668 1.00 0.00 H ATOM 558 HB3 HIS A 115 79.589 63.086 29.598 1.00 0.00 H ATOM 559 HD2 HIS A 115 79.487 61.286 26.120 1.00 0.00 H ATOM 560 HE1 HIS A 115 79.087 58.360 29.192 1.00 0.00 H ATOM 561 H HIS A 115 80.411 65.371 28.862 1.00 0.00 H ATOM 562 N THR A 116 77.278 63.443 26.683 1.00 36.11 N ATOM 563 CA THR A 116 75.812 63.405 26.716 1.00 37.73 C ATOM 564 C THR A 116 75.289 62.349 27.695 1.00 41.70 C ATOM 565 O THR A 116 74.189 62.488 28.231 1.00 45.32 O ATOM 566 CB THR A 116 75.206 63.114 25.336 1.00 38.87 C ATOM 567 OG1 THR A 116 75.518 61.768 24.948 1.00 37.98 O ATOM 568 CG2 THR A 116 75.726 64.097 24.298 1.00 37.67 C ATOM 569 HA THR A 116 75.506 64.398 27.045 1.00 0.00 H ATOM 570 HB THR A 116 74.124 63.230 25.397 1.00 0.00 H ATOM 571 HG1 THR A 116 76.501 61.657 24.907 1.00 0.00 H ATOM 572 HG23 THR A 116 75.481 65.113 24.607 1.00 0.00 H ATOM 573 HG21 THR A 116 76.807 63.993 24.211 1.00 0.00 H ATOM 574 HG22 THR A 116 75.261 63.887 23.335 1.00 0.00 H ATOM 575 H THR A 116 77.784 63.073 25.853 1.00 0.00 H ATOM 576 N GLY A 117 76.079 61.300 27.917 1.00 43.03 N ATOM 577 CA GLY A 117 75.684 60.180 28.774 1.00 42.04 C ATOM 578 C GLY A 117 75.285 58.949 27.980 1.00 43.93 C ATOM 579 O GLY A 117 75.273 57.836 28.512 1.00 43.56 O ATOM 580 HA3 GLY A 117 74.837 60.490 29.386 1.00 0.00 H ATOM 581 HA2 GLY A 117 76.523 59.922 29.420 1.00 0.00 H ATOM 582 H GLY A 117 77.014 61.275 27.463 1.00 0.00 H ATOM 583 N HIS A 118 74.943 59.147 26.709 1.00 44.73 N ATOM 584 CA HIS A 118 74.622 58.038 25.818 1.00 44.68 C ATOM 585 C HIS A 118 75.864 57.648 25.026 1.00 43.58 C ATOM 586 O HIS A 118 76.427 58.472 24.301 1.00 40.37 O ATOM 587 CB HIS A 118 73.485 58.417 24.867 1.00 48.24 C ATOM 588 CG HIS A 118 72.207 58.768 25.563 1.00 49.85 C ATOM 589 ND1 HIS A 118 71.393 59.801 25.149 1.00 50.62 N ATOM 590 CD2 HIS A 118 71.608 58.230 26.652 1.00 51.19 C ATOM 591 CE1 HIS A 118 70.343 59.878 25.948 1.00 51.00 C ATOM 592 NE2 HIS A 118 70.451 58.937 26.869 1.00 51.45 N ATOM 593 HA HIS A 118 74.292 57.189 26.417 1.00 0.00 H ATOM 594 HB2 HIS A 118 73.802 59.277 24.277 1.00 0.00 H ATOM 595 HB3 HIS A 118 73.295 57.573 24.204 1.00 0.00 H ATOM 596 HD2 HIS A 118 71.976 57.393 27.245 1.00 0.00 H ATOM 597 HE1 HIS A 118 69.527 60.596 25.862 1.00 0.00 H ATOM 598 H HIS A 118 74.904 60.119 26.341 1.00 0.00 H ATOM 599 N GLN A 119 76.290 56.395 25.193 1.00 42.89 N ATOM 600 CA GLN A 119 77.428 55.830 24.465 1.00 41.03 C ATOM 601 C GLN A 119 78.659 56.753 24.546 1.00 38.93 C ATOM 602 O GLN A 119 79.007 57.222 25.633 1.00 39.38 O ATOM 603 CB GLN A 119 77.027 55.512 23.014 1.00 43.36 C ATOM 604 CG GLN A 119 75.855 54.530 22.879 1.00 46.44 C ATOM 605 CD GLN A 119 74.489 55.202 22.895 1.00 49.27 C ATOM 606 OE1 GLN A 119 74.273 56.220 22.233 1.00 51.48 O ATOM 607 NE2 GLN A 119 73.556 54.625 23.644 1.00 50.67 N ATOM 608 HA GLN A 119 77.716 54.892 24.939 1.00 0.00 H ATOM 609 HB2 GLN A 119 76.748 56.445 22.525 1.00 0.00 H ATOM 610 HB3 GLN A 119 77.892 55.083 22.508 1.00 0.00 H ATOM 611 HG2 GLN A 119 75.963 53.992 21.937 1.00 0.00 H ATOM 612 HG3 GLN A 119 75.901 53.823 23.707 1.00 0.00 H ATOM 613 HE22 GLN A 119 73.782 53.767 24.186 1.00 0.00 H ATOM 614 HE21 GLN A 119 72.600 55.031 23.688 1.00 0.00 H ATOM 615 H GLN A 119 75.789 55.789 25.874 1.00 0.00 H ATOM 616 N ASP A 120 79.311 57.019 23.414 1.00 35.56 N ATOM 617 CA ASP A 120 80.475 57.903 23.381 1.00 35.50 C ATOM 618 C ASP A 120 80.151 59.248 22.727 1.00 34.93 C ATOM 619 O ASP A 120 81.033 59.907 22.181 1.00 36.44 O ATOM 620 CB ASP A 120 81.649 57.217 22.665 1.00 35.31 C ATOM 621 CG ASP A 120 81.381 56.960 21.188 1.00 35.83 C ATOM 622 OD1 ASP A 120 80.214 57.065 20.747 1.00 36.08 O ATOM 623 OD2 ASP A 120 82.347 56.639 20.465 1.00 36.54 O ATOM 624 HA ASP A 120 80.764 58.107 24.412 1.00 0.00 H ATOM 625 HB2 ASP A 120 82.529 57.854 22.752 1.00 0.00 H ATOM 626 HB3 ASP A 120 81.843 56.262 23.154 1.00 0.00 H ATOM 627 H ASP A 120 78.982 56.585 22.528 1.00 0.00 H ATOM 628 N LYS A 121 78.890 59.663 22.804 1.00 33.46 N ATOM 629 CA LYS A 121 78.459 60.910 22.181 1.00 34.08 C ATOM 630 C LYS A 121 78.881 62.091 23.042 1.00 34.44 C ATOM 631 O LYS A 121 78.646 62.093 24.247 1.00 34.64 O ATOM 632 CB LYS A 121 76.940 60.931 22.015 1.00 35.98 C ATOM 633 CG LYS A 121 76.387 59.913 21.030 1.00 36.85 C ATOM 634 CD LYS A 121 74.875 59.788 21.181 1.00 37.63 C ATOM 635 CE LYS A 121 74.246 58.939 20.085 1.00 39.27 C ATOM 636 NZ LYS A 121 74.880 57.598 19.964 1.00 41.40 N ATOM 637 HA LYS A 121 78.927 60.982 21.199 1.00 0.00 H ATOM 638 HB2 LYS A 121 76.490 60.738 22.989 1.00 0.00 H ATOM 639 HB3 LYS A 121 76.651 61.925 21.673 1.00 0.00 H ATOM 640 HG2 LYS A 121 76.621 60.233 20.015 1.00 0.00 H ATOM 641 HG3 LYS A 121 76.848 58.944 21.220 1.00 0.00 H ATOM 642 HD2 LYS A 121 74.657 59.331 22.146 1.00 0.00 H ATOM 643 HD3 LYS A 121 74.437 60.785 21.146 1.00 0.00 H ATOM 644 HE2 LYS A 121 74.351 59.462 19.134 1.00 0.00 H ATOM 645 HE3 LYS A 121 73.188 58.806 20.310 1.00 0.00 H ATOM 646 HZ1 LYS A 121 75.889 57.712 19.741 1.00 0.00 H ATOM 647 HZ2 LYS A 121 74.779 57.086 20.863 1.00 0.00 H ATOM 648 HZ3 LYS A 121 74.414 57.063 19.204 1.00 0.00 H ATOM 649 H LYS A 121 78.195 59.086 23.320 1.00 0.00 H ATOM 650 N VAL A 122 79.504 63.091 22.423 1.00 33.12 N ATOM 651 CA VAL A 122 79.836 64.334 23.115 1.00 32.98 C ATOM 652 C VAL A 122 79.326 65.523 22.315 1.00 34.53 C ATOM 653 O VAL A 122 78.971 65.386 21.146 1.00 32.60 O ATOM 654 CB VAL A 122 81.352 64.479 23.334 1.00 33.43 C ATOM 655 CG1 VAL A 122 81.907 63.238 24.032 1.00 31.92 C ATOM 656 CG2 VAL A 122 82.072 64.729 22.007 1.00 34.17 C ATOM 657 HA VAL A 122 79.354 64.305 24.092 1.00 0.00 H ATOM 658 HB VAL A 122 81.528 65.342 23.976 1.00 0.00 H ATOM 659 HG11 VAL A 122 81.417 63.116 24.998 1.00 0.00 H ATOM 660 HG12 VAL A 122 81.718 62.360 23.414 1.00 0.00 H ATOM 661 HG13 VAL A 122 82.980 63.355 24.180 1.00 0.00 H ATOM 662 HG21 VAL A 122 81.892 63.891 21.334 1.00 0.00 H ATOM 663 HG22 VAL A 122 81.692 65.646 21.556 1.00 0.00 H ATOM 664 HG23 VAL A 122 83.142 64.828 22.189 1.00 0.00 H ATOM 665 H VAL A 122 79.761 62.985 21.421 1.00 0.00 H ATOM 666 N ARG A 123 79.290 66.687 22.954 1.00 35.12 N ATOM 667 CA ARG A 123 78.832 67.903 22.302 1.00 34.46 C ATOM 668 C ARG A 123 79.626 69.102 22.800 1.00 33.66 C ATOM 669 O ARG A 123 79.977 69.171 23.978 1.00 32.99 O ATOM 670 CB ARG A 123 77.349 68.107 22.584 1.00 36.59 C ATOM 671 CG ARG A 123 76.673 69.090 21.664 1.00 38.18 C ATOM 672 CD ARG A 123 75.183 69.177 21.961 1.00 39.52 C ATOM 673 NE ARG A 123 74.491 67.911 21.730 1.00 40.23 N ATOM 674 CZ ARG A 123 74.104 67.459 20.537 1.00 41.05 C ATOM 675 NH1 ARG A 123 74.342 68.149 19.426 1.00 41.73 N ATOM 676 NH2 ARG A 123 73.477 66.293 20.452 1.00 43.06 N ATOM 677 HA ARG A 123 78.985 67.808 21.227 1.00 0.00 H ATOM 678 HB2 ARG A 123 76.847 67.145 22.485 1.00 0.00 H ATOM 679 HB3 ARG A 123 77.242 68.467 23.607 1.00 0.00 H ATOM 680 HG2 ARG A 123 77.122 70.074 21.800 1.00 0.00 H ATOM 681 HG3 ARG A 123 76.813 68.768 20.632 1.00 0.00 H ATOM 682 HD2 ARG A 123 74.742 69.939 21.318 1.00 0.00 H ATOM 683 HD3 ARG A 123 75.050 69.463 23.005 1.00 0.00 H ATOM 684 HE ARG A 123 74.285 67.318 22.559 1.00 0.00 H ATOM 685 HH12 ARG A 123 74.031 67.777 18.506 1.00 0.00 H ATOM 686 HH11 ARG A 123 74.839 69.061 19.477 1.00 0.00 H ATOM 687 HH22 ARG A 123 73.172 65.933 19.525 1.00 0.00 H ATOM 688 HH21 ARG A 123 73.291 65.739 21.312 1.00 0.00 H ATOM 689 H ARG A 123 79.597 66.730 23.947 1.00 0.00 H ATOM 690 N CYS A 124 79.913 70.040 21.902 1.00 33.14 N ATOM 691 CA CYS A 124 80.600 71.269 22.283 1.00 32.40 C ATOM 692 C CYS A 124 79.605 72.235 22.897 1.00 32.54 C ATOM 693 O CYS A 124 78.529 72.446 22.348 1.00 33.02 O ATOM 694 CB CYS A 124 81.257 71.918 21.073 1.00 34.16 C ATOM 695 SG CYS A 124 81.960 73.550 21.371 1.00 34.12 S ATOM 696 HA CYS A 124 81.375 71.023 23.009 1.00 0.00 H ATOM 697 HB2 CYS A 124 80.505 72.011 20.289 1.00 0.00 H ATOM 698 HB3 CYS A 124 82.057 71.262 20.730 1.00 0.00 H ATOM 699 HG CYS A 124 82.522 74.027 20.204 1.00 0.00 H ATOM 700 H CYS A 124 79.642 69.894 20.908 1.00 0.00 H ATOM 701 N PHE A 125 79.971 72.838 24.024 1.00 32.46 N ATOM 702 CA PHE A 125 79.070 73.759 24.717 1.00 32.62 C ATOM 703 C PHE A 125 78.812 75.030 23.904 1.00 32.36 C ATOM 704 O PHE A 125 77.770 75.671 24.071 1.00 32.15 O ATOM 705 CB PHE A 125 79.633 74.137 26.092 1.00 32.69 C ATOM 706 CG PHE A 125 80.656 75.239 26.045 1.00 33.08 C ATOM 707 CD1 PHE A 125 81.988 74.962 25.761 1.00 31.74 C ATOM 708 CD2 PHE A 125 80.281 76.557 26.271 1.00 33.47 C ATOM 709 CE1 PHE A 125 82.929 75.982 25.712 1.00 33.11 C ATOM 710 CE2 PHE A 125 81.216 77.586 26.218 1.00 33.29 C ATOM 711 CZ PHE A 125 82.541 77.294 25.943 1.00 32.75 C ATOM 712 HA PHE A 125 78.121 73.238 24.843 1.00 0.00 H ATOM 713 HB2 PHE A 125 78.807 74.461 26.725 1.00 0.00 H ATOM 714 HB3 PHE A 125 80.099 73.253 26.528 1.00 0.00 H ATOM 715 HD2 PHE A 125 79.239 76.789 26.493 1.00 0.00 H ATOM 716 HE2 PHE A 125 80.907 78.617 26.392 1.00 0.00 H ATOM 717 HZ PHE A 125 83.280 78.095 25.908 1.00 0.00 H ATOM 718 HE1 PHE A 125 83.972 75.752 25.492 1.00 0.00 H ATOM 719 HD1 PHE A 125 82.297 73.933 25.575 1.00 0.00 H ATOM 720 H PHE A 125 80.914 72.652 24.420 1.00 0.00 H ATOM 721 N PHE A 126 79.756 75.402 23.037 1.00 33.00 N ATOM 722 CA PHE A 126 79.656 76.673 22.324 1.00 33.05 C ATOM 723 C PHE A 126 78.904 76.566 20.999 1.00 33.09 C ATOM 724 O PHE A 126 77.926 77.285 20.785 1.00 33.12 O ATOM 725 CB PHE A 126 81.034 77.298 22.094 1.00 33.77 C ATOM 726 CG PHE A 126 80.967 78.770 21.822 1.00 33.31 C ATOM 727 CD1 PHE A 126 80.626 79.238 20.563 1.00 34.58 C ATOM 728 CD2 PHE A 126 81.193 79.688 22.839 1.00 33.45 C ATOM 729 CE1 PHE A 126 80.533 80.597 20.315 1.00 33.93 C ATOM 730 CE2 PHE A 126 81.107 81.047 22.596 1.00 34.18 C ATOM 731 CZ PHE A 126 80.772 81.500 21.334 1.00 34.03 C ATOM 732 HA PHE A 126 79.072 77.325 22.973 1.00 0.00 H ATOM 733 HB2 PHE A 126 81.643 77.135 22.983 1.00 0.00 H ATOM 734 HB3 PHE A 126 81.501 76.807 21.240 1.00 0.00 H ATOM 735 HD2 PHE A 126 81.441 79.334 23.840 1.00 0.00 H ATOM 736 HE2 PHE A 126 81.303 81.759 23.398 1.00 0.00 H ATOM 737 HZ PHE A 126 80.696 82.570 21.142 1.00 0.00 H ATOM 738 HE1 PHE A 126 80.272 80.954 19.319 1.00 0.00 H ATOM 739 HD1 PHE A 126 80.429 78.529 19.759 1.00 0.00 H ATOM 740 H PHE A 126 80.572 74.780 22.867 1.00 0.00 H ATOM 741 N CYS A 127 79.372 75.694 20.108 1.00 32.79 N ATOM 742 CA CYS A 127 78.744 75.526 18.788 1.00 32.14 C ATOM 743 C CYS A 127 77.660 74.448 18.764 1.00 31.66 C ATOM 744 O CYS A 127 76.919 74.346 17.786 1.00 31.69 O ATOM 745 CB CYS A 127 79.803 75.224 17.722 1.00 33.10 C ATOM 746 SG CYS A 127 80.658 73.636 17.881 1.00 33.50 S ATOM 747 HA CYS A 127 78.253 76.473 18.565 1.00 0.00 H ATOM 748 HB2 CYS A 127 80.554 76.013 17.764 1.00 0.00 H ATOM 749 HB3 CYS A 127 79.312 75.243 16.749 1.00 0.00 H ATOM 750 HG CYS A 127 81.311 73.586 19.096 1.00 0.00 H ATOM 751 H CYS A 127 80.202 75.117 20.351 1.00 0.00 H ATOM 752 N TYR A 128 77.574 73.659 19.836 1.00 32.72 N ATOM 753 CA TYR A 128 76.602 72.558 19.976 1.00 34.02 C ATOM 754 C TYR A 128 76.838 71.430 18.963 1.00 34.62 C ATOM 755 O TYR A 128 75.944 70.626 18.699 1.00 35.01 O ATOM 756 CB TYR A 128 75.153 73.076 19.901 1.00 35.68 C ATOM 757 CG TYR A 128 74.200 72.430 20.899 1.00 35.62 C ATOM 758 CD1 TYR A 128 74.407 72.558 22.272 1.00 35.67 C ATOM 759 CD2 TYR A 128 73.081 71.713 20.473 1.00 36.32 C ATOM 760 CE1 TYR A 128 73.536 71.978 23.197 1.00 36.56 C ATOM 761 CE2 TYR A 128 72.203 71.129 21.393 1.00 36.69 C ATOM 762 CZ TYR A 128 72.437 71.266 22.753 1.00 37.21 C ATOM 763 OH TYR A 128 71.575 70.700 23.675 1.00 36.64 O ATOM 764 HA TYR A 128 76.760 72.130 20.966 1.00 0.00 H ATOM 765 HB3 TYR A 128 74.775 72.886 18.896 1.00 0.00 H ATOM 766 HB2 TYR A 128 75.165 74.150 20.087 1.00 0.00 H ATOM 767 HD2 TYR A 128 72.888 71.606 19.406 1.00 0.00 H ATOM 768 HE2 TYR A 128 71.337 70.568 21.041 1.00 0.00 H ATOM 769 HE1 TYR A 128 73.722 72.086 24.266 1.00 0.00 H ATOM 770 HD1 TYR A 128 75.267 73.123 22.631 1.00 0.00 H ATOM 771 HH TYR A 128 71.896 70.898 24.590 1.00 0.00 H ATOM 772 H TYR A 128 78.233 73.831 20.622 1.00 0.00 H ATOM 773 N GLY A 129 78.049 71.361 18.417 1.00 33.92 N ATOM 774 CA GLY A 129 78.398 70.319 17.458 1.00 34.63 C ATOM 775 C GLY A 129 78.567 69.005 18.190 1.00 33.99 C ATOM 776 O GLY A 129 79.225 68.959 19.226 1.00 33.67 O ATOM 777 HA3 GLY A 129 79.331 70.581 16.958 1.00 0.00 H ATOM 778 HA2 GLY A 129 77.604 70.224 16.717 1.00 0.00 H ATOM 779 H GLY A 129 78.765 72.068 18.681 1.00 0.00 H ATOM 780 N GLY A 130 77.961 67.943 17.663 1.00 34.62 N ATOM 781 CA GLY A 130 78.016 66.627 18.296 1.00 34.33 C ATOM 782 C GLY A 130 78.975 65.694 17.583 1.00 32.82 C ATOM 783 O GLY A 130 79.059 65.715 16.361 1.00 33.47 O ATOM 784 HA3 GLY A 130 77.019 66.187 18.280 1.00 0.00 H ATOM 785 HA2 GLY A 130 78.343 66.746 19.329 1.00 0.00 H ATOM 786 H GLY A 130 77.433 68.053 16.774 1.00 0.00 H ATOM 787 N LEU A 131 79.700 64.878 18.348 1.00 32.49 N ATOM 788 CA LEU A 131 80.590 63.864 17.776 1.00 33.01 C ATOM 789 C LEU A 131 80.436 62.529 18.501 1.00 32.99 C ATOM 790 O LEU A 131 80.309 62.491 19.725 1.00 33.17 O ATOM 791 CB LEU A 131 82.046 64.317 17.851 1.00 33.53 C ATOM 792 CG LEU A 131 82.440 65.498 16.964 1.00 33.81 C ATOM 793 CD1 LEU A 131 83.850 65.951 17.302 1.00 33.92 C ATOM 794 CD2 LEU A 131 82.318 65.147 15.485 1.00 32.92 C ATOM 795 HA LEU A 131 80.309 63.733 16.731 1.00 0.00 H ATOM 796 HB2 LEU A 131 82.254 64.595 18.884 1.00 0.00 H ATOM 797 HB3 LEU A 131 82.672 63.469 17.571 1.00 0.00 H ATOM 798 HG LEU A 131 81.751 66.320 17.159 1.00 0.00 H ATOM 799 HD21 LEU A 131 82.975 64.308 15.257 1.00 0.00 H ATOM 800 HD22 LEU A 131 81.287 64.874 15.261 1.00 0.00 H ATOM 801 HD23 LEU A 131 82.606 66.009 14.883 1.00 0.00 H ATOM 802 HD11 LEU A 131 83.891 66.256 18.348 1.00 0.00 H ATOM 803 HD12 LEU A 131 84.545 65.128 17.135 1.00 0.00 H ATOM 804 HD13 LEU A 131 84.122 66.793 16.665 1.00 0.00 H ATOM 805 H LEU A 131 79.632 64.964 19.382 1.00 0.00 H ATOM 806 N GLN A 132 80.454 61.441 17.736 1.00 32.38 N ATOM 807 CA GLN A 132 80.349 60.093 18.289 1.00 33.51 C ATOM 808 C GLN A 132 81.296 59.154 17.545 1.00 32.87 C ATOM 809 O GLN A 132 82.048 59.593 16.678 1.00 31.18 O ATOM 810 CB GLN A 132 78.904 59.597 18.191 1.00 35.10 C ATOM 811 CG GLN A 132 78.384 59.459 16.762 1.00 36.76 C ATOM 812 CD GLN A 132 77.055 58.731 16.687 1.00 39.15 C ATOM 813 OE1 GLN A 132 76.200 58.880 17.558 1.00 43.35 O ATOM 814 NE2 GLN A 132 76.875 57.941 15.637 1.00 41.86 N ATOM 815 HA GLN A 132 80.634 60.111 19.341 1.00 0.00 H ATOM 816 HB2 GLN A 132 78.844 58.621 18.672 1.00 0.00 H ATOM 817 HB3 GLN A 132 78.264 60.302 18.721 1.00 0.00 H ATOM 818 HG2 GLN A 132 78.260 60.456 16.339 1.00 0.00 H ATOM 819 HG3 GLN A 132 79.118 58.906 16.176 1.00 0.00 H ATOM 820 HE22 GLN A 132 77.626 57.845 14.924 1.00 0.00 H ATOM 821 HE21 GLN A 132 75.983 57.418 15.527 1.00 0.00 H ATOM 822 H GLN A 132 80.546 61.554 16.706 1.00 0.00 H ATOM 823 N SER A 133 81.255 57.868 17.885 1.00 32.29 N ATOM 824 CA SER A 133 82.076 56.851 17.223 1.00 33.94 C ATOM 825 C SER A 133 83.556 57.236 17.240 1.00 33.49 C ATOM 826 O SER A 133 84.240 57.201 16.210 1.00 33.80 O ATOM 827 CB SER A 133 81.593 56.614 15.788 1.00 35.67 C ATOM 828 OG SER A 133 80.220 56.264 15.764 1.00 36.96 O ATOM 829 HA SER A 133 81.968 55.920 17.780 1.00 0.00 H ATOM 830 HB2 SER A 133 82.175 55.806 15.345 1.00 0.00 H ATOM 831 HB3 SER A 133 81.739 57.525 15.208 1.00 0.00 H ATOM 832 HG SER A 133 79.934 56.117 14.828 1.00 0.00 H ATOM 833 H SER A 133 80.615 57.573 18.650 1.00 0.00 H ATOM 834 N TRP A 134 84.036 57.601 18.425 1.00 32.78 N ATOM 835 CA TRP A 134 85.429 57.976 18.619 1.00 34.63 C ATOM 836 C TRP A 134 86.336 56.763 18.453 1.00 34.75 C ATOM 837 O TRP A 134 86.036 55.677 18.953 1.00 35.26 O ATOM 838 CB TRP A 134 85.630 58.596 20.006 1.00 34.18 C ATOM 839 CG TRP A 134 84.982 59.931 20.148 1.00 34.51 C ATOM 840 CD1 TRP A 134 83.673 60.179 20.430 1.00 34.20 C ATOM 841 CD2 TRP A 134 85.612 61.207 20.008 1.00 34.23 C ATOM 842 NE1 TRP A 134 83.445 61.534 20.477 1.00 34.59 N ATOM 843 CE2 TRP A 134 84.622 62.188 20.221 1.00 34.19 C ATOM 844 CE3 TRP A 134 86.919 61.618 19.722 1.00 34.29 C ATOM 845 CZ2 TRP A 134 84.897 63.553 20.155 1.00 34.75 C ATOM 846 CZ3 TRP A 134 87.192 62.973 19.662 1.00 34.49 C ATOM 847 CH2 TRP A 134 86.186 63.924 19.878 1.00 34.89 C ATOM 848 HA TRP A 134 85.692 58.716 17.863 1.00 0.00 H ATOM 849 HB2 TRP A 134 85.207 57.923 20.752 1.00 0.00 H ATOM 850 HB3 TRP A 134 86.699 58.708 20.185 1.00 0.00 H ATOM 851 HE1 TRP A 134 82.530 61.988 20.674 1.00 0.00 H ATOM 852 HD1 TRP A 134 82.915 59.413 20.595 1.00 0.00 H ATOM 853 HZ2 TRP A 134 84.116 64.296 20.318 1.00 0.00 H ATOM 854 HH2 TRP A 134 86.435 64.984 19.824 1.00 0.00 H ATOM 855 HZ3 TRP A 134 88.206 63.306 19.443 1.00 0.00 H ATOM 856 HE3 TRP A 134 87.707 60.885 19.550 1.00 0.00 H ATOM 857 H TRP A 134 83.393 57.619 19.242 1.00 0.00 H ATOM 858 N LYS A 135 87.433 56.956 17.726 1.00 34.31 N ATOM 859 CA LYS A 135 88.442 55.922 17.529 1.00 35.63 C ATOM 860 C LYS A 135 89.598 56.178 18.487 1.00 34.17 C ATOM 861 O LYS A 135 89.848 57.322 18.869 1.00 35.23 O ATOM 862 CB LYS A 135 88.948 55.939 16.088 1.00 38.98 C ATOM 863 CG LYS A 135 87.876 55.703 15.022 1.00 42.17 C ATOM 864 CD LYS A 135 87.370 54.258 14.993 1.00 44.19 C ATOM 865 CE LYS A 135 86.099 54.062 15.814 1.00 45.01 C ATOM 866 NZ LYS A 135 85.538 52.693 15.645 1.00 44.68 N ATOM 867 HA LYS A 135 88.003 54.944 17.726 1.00 0.00 H ATOM 868 HB2 LYS A 135 89.403 56.912 15.901 1.00 0.00 H ATOM 869 HB3 LYS A 135 89.704 55.160 15.986 1.00 0.00 H ATOM 870 HG2 LYS A 135 87.033 56.363 15.225 1.00 0.00 H ATOM 871 HG3 LYS A 135 88.297 55.944 14.046 1.00 0.00 H ATOM 872 HD2 LYS A 135 87.164 53.981 13.959 1.00 0.00 H ATOM 873 HD3 LYS A 135 88.148 53.608 15.394 1.00 0.00 H ATOM 874 HE2 LYS A 135 85.355 54.791 15.493 1.00 0.00 H ATOM 875 HE3 LYS A 135 86.331 54.221 16.867 1.00 0.00 H ATOM 876 HZ1 LYS A 135 85.308 52.535 14.643 1.00 0.00 H ATOM 877 HZ2 LYS A 135 86.240 51.991 15.956 1.00 0.00 H ATOM 878 HZ3 LYS A 135 84.676 52.600 16.219 1.00 0.00 H ATOM 879 H LYS A 135 87.577 57.884 17.279 1.00 0.00 H ATOM 880 N ARG A 136 90.302 55.116 18.874 1.00 32.96 N ATOM 881 CA ARG A 136 91.425 55.253 19.796 1.00 34.55 C ATOM 882 C ARG A 136 92.455 56.224 19.215 1.00 34.74 C ATOM 883 O ARG A 136 92.774 56.165 18.024 1.00 33.40 O ATOM 884 CB ARG A 136 92.055 53.888 20.112 1.00 35.34 C ATOM 885 CG ARG A 136 92.783 53.236 18.952 1.00 35.94 C ATOM 886 CD ARG A 136 93.298 51.849 19.313 1.00 37.24 C ATOM 887 NE ARG A 136 94.490 51.500 18.541 1.00 38.14 N ATOM 888 CZ ARG A 136 95.129 50.334 18.611 1.00 38.68 C ATOM 889 NH1 ARG A 136 94.698 49.372 19.417 1.00 38.94 N ATOM 890 NH2 ARG A 136 96.207 50.130 17.864 1.00 39.59 N ATOM 891 HA ARG A 136 91.058 55.660 20.738 1.00 0.00 H ATOM 892 HB2 ARG A 136 92.767 54.024 20.926 1.00 0.00 H ATOM 893 HB3 ARG A 136 91.261 53.215 20.435 1.00 0.00 H ATOM 894 HG2 ARG A 136 92.097 53.149 18.109 1.00 0.00 H ATOM 895 HG3 ARG A 136 93.628 53.863 18.668 1.00 0.00 H ATOM 896 HD2 ARG A 136 92.517 51.117 19.109 1.00 0.00 H ATOM 897 HD3 ARG A 136 93.545 51.828 20.374 1.00 0.00 H ATOM 898 HE ARG A 136 94.867 52.216 17.888 1.00 0.00 H ATOM 899 HH12 ARG A 136 95.206 48.466 19.463 1.00 0.00 H ATOM 900 HH11 ARG A 136 93.852 49.524 20.003 1.00 0.00 H ATOM 901 HH22 ARG A 136 96.710 49.221 17.914 1.00 0.00 H ATOM 902 HH21 ARG A 136 96.548 50.879 17.228 1.00 0.00 H ATOM 903 H ARG A 136 90.048 54.174 18.514 1.00 0.00 H ATOM 904 N GLY A 137 92.932 57.145 20.049 1.00 34.90 N ATOM 905 CA GLY A 137 93.921 58.131 19.622 1.00 35.90 C ATOM 906 C GLY A 137 93.375 59.348 18.888 1.00 35.53 C ATOM 907 O GLY A 137 94.150 60.235 18.527 1.00 36.23 O ATOM 908 HA3 GLY A 137 94.627 57.630 18.959 1.00 0.00 H ATOM 909 HA2 GLY A 137 94.445 58.484 20.510 1.00 0.00 H ATOM 910 H GLY A 137 92.591 57.163 21.031 1.00 0.00 H ATOM 911 N ASP A 138 92.062 59.395 18.644 1.00 35.93 N ATOM 912 CA ASP A 138 91.429 60.603 18.096 1.00 34.61 C ATOM 913 C ASP A 138 91.771 61.779 18.997 1.00 35.58 C ATOM 914 O ASP A 138 91.695 61.660 20.218 1.00 36.62 O ATOM 915 CB ASP A 138 89.900 60.472 18.047 1.00 34.43 C ATOM 916 CG ASP A 138 89.388 59.781 16.794 1.00 35.91 C ATOM 917 OD1 ASP A 138 90.173 59.491 15.867 1.00 36.31 O ATOM 918 OD2 ASP A 138 88.164 59.531 16.744 1.00 36.13 O ATOM 919 HA ASP A 138 91.799 60.748 17.081 1.00 0.00 H ATOM 920 HB2 ASP A 138 89.575 59.898 18.915 1.00 0.00 H ATOM 921 HB3 ASP A 138 89.467 61.471 18.091 1.00 0.00 H ATOM 922 H ASP A 138 91.476 58.560 18.846 1.00 0.00 H ATOM 923 N ASP A 139 92.135 62.910 18.400 1.00 34.69 N ATOM 924 CA ASP A 139 92.459 64.111 19.160 1.00 34.63 C ATOM 925 C ASP A 139 91.252 65.051 19.174 1.00 32.82 C ATOM 926 O ASP A 139 90.841 65.527 18.118 1.00 33.89 O ATOM 927 CB ASP A 139 93.661 64.821 18.545 1.00 36.69 C ATOM 928 CG ASP A 139 94.072 66.045 19.333 1.00 38.74 C ATOM 929 OD1 ASP A 139 94.466 65.882 20.508 1.00 40.87 O ATOM 930 OD2 ASP A 139 93.995 67.162 18.779 1.00 39.56 O ATOM 931 HA ASP A 139 92.708 63.825 20.182 1.00 0.00 H ATOM 932 HB2 ASP A 139 94.500 64.126 18.514 1.00 0.00 H ATOM 933 HB3 ASP A 139 93.406 65.127 17.530 1.00 0.00 H ATOM 934 H ASP A 139 92.190 62.939 17.362 1.00 0.00 H ATOM 935 N PRO A 140 90.667 65.304 20.362 1.00 33.87 N ATOM 936 CA PRO A 140 89.484 66.169 20.440 1.00 33.36 C ATOM 937 C PRO A 140 89.594 67.523 19.726 1.00 33.66 C ATOM 938 O PRO A 140 88.676 67.890 18.996 1.00 33.76 O ATOM 939 CB PRO A 140 89.287 66.352 21.946 1.00 34.23 C ATOM 940 CG PRO A 140 89.826 65.089 22.527 1.00 34.44 C ATOM 941 CD PRO A 140 91.020 64.758 21.687 1.00 33.14 C ATOM 942 HA PRO A 140 88.646 65.707 19.918 1.00 0.00 H ATOM 943 HD3 PRO A 140 91.918 65.235 22.079 1.00 0.00 H ATOM 944 HD2 PRO A 140 91.175 63.680 21.637 1.00 0.00 H ATOM 945 HG3 PRO A 140 89.084 64.293 22.470 1.00 0.00 H ATOM 946 HG2 PRO A 140 90.117 65.238 23.567 1.00 0.00 H ATOM 947 HB2 PRO A 140 89.843 67.216 22.309 1.00 0.00 H ATOM 948 HB3 PRO A 140 88.231 66.473 22.189 1.00 0.00 H ATOM 949 N TRP A 141 90.687 68.256 19.930 1.00 33.99 N ATOM 950 CA TRP A 141 90.851 69.552 19.256 1.00 34.91 C ATOM 951 C TRP A 141 90.883 69.396 17.733 1.00 34.14 C ATOM 952 O TRP A 141 90.270 70.185 17.013 1.00 34.87 O ATOM 953 CB TRP A 141 92.117 70.282 19.720 1.00 35.87 C ATOM 954 CG TRP A 141 91.962 71.158 20.941 1.00 36.01 C ATOM 955 CD1 TRP A 141 92.755 71.154 22.053 1.00 36.86 C ATOM 956 CD2 TRP A 141 90.983 72.187 21.155 1.00 36.23 C ATOM 957 NE1 TRP A 141 92.327 72.103 22.948 1.00 36.81 N ATOM 958 CE2 TRP A 141 91.244 72.755 22.423 1.00 35.88 C ATOM 959 CE3 TRP A 141 89.914 72.685 20.401 1.00 36.76 C ATOM 960 CZ2 TRP A 141 90.473 73.794 22.953 1.00 36.84 C ATOM 961 CZ3 TRP A 141 89.143 73.711 20.935 1.00 36.99 C ATOM 962 CH2 TRP A 141 89.431 74.255 22.197 1.00 36.22 C ATOM 963 HA TRP A 141 89.983 70.151 19.532 1.00 0.00 H ATOM 964 HB2 TRP A 141 92.874 69.530 19.942 1.00 0.00 H ATOM 965 HB3 TRP A 141 92.461 70.911 18.899 1.00 0.00 H ATOM 966 HE1 TRP A 141 92.756 72.295 23.875 1.00 0.00 H ATOM 967 HD1 TRP A 141 93.607 70.492 22.208 1.00 0.00 H ATOM 968 HZ2 TRP A 141 90.694 74.220 23.932 1.00 0.00 H ATOM 969 HH2 TRP A 141 88.810 75.063 22.583 1.00 0.00 H ATOM 970 HZ3 TRP A 141 88.300 74.100 20.364 1.00 0.00 H ATOM 971 HE3 TRP A 141 89.691 72.277 19.415 1.00 0.00 H ATOM 972 H TRP A 141 91.429 67.909 20.570 1.00 0.00 H ATOM 973 N THR A 142 91.601 68.384 17.249 1.00 32.92 N ATOM 974 CA THR A 142 91.682 68.109 15.812 1.00 33.41 C ATOM 975 C THR A 142 90.298 67.810 15.236 1.00 33.39 C ATOM 976 O THR A 142 89.928 68.335 14.186 1.00 32.70 O ATOM 977 CB THR A 142 92.612 66.913 15.510 1.00 33.74 C ATOM 978 OG1 THR A 142 93.939 67.197 15.976 1.00 32.81 O ATOM 979 CG2 THR A 142 92.656 66.628 14.013 1.00 32.78 C ATOM 980 HA THR A 142 92.092 69.004 15.345 1.00 0.00 H ATOM 981 HB THR A 142 92.219 66.036 16.025 1.00 0.00 H ATOM 982 HG1 THR A 142 94.283 68.003 15.517 1.00 0.00 H ATOM 983 HG23 THR A 142 91.649 66.412 13.656 1.00 0.00 H ATOM 984 HG21 THR A 142 93.049 67.500 13.490 1.00 0.00 H ATOM 985 HG22 THR A 142 93.301 65.769 13.827 1.00 0.00 H ATOM 986 H THR A 142 92.119 67.771 17.910 1.00 0.00 H ATOM 987 N GLU A 143 89.539 66.965 15.927 1.00 33.83 N ATOM 988 CA GLU A 143 88.186 66.619 15.490 1.00 33.37 C ATOM 989 C GLU A 143 87.255 67.837 15.533 1.00 32.89 C ATOM 990 O GLU A 143 86.416 68.005 14.648 1.00 33.11 O ATOM 991 CB GLU A 143 87.613 65.476 16.336 1.00 34.69 C ATOM 992 CG GLU A 143 88.380 64.153 16.229 1.00 35.83 C ATOM 993 CD GLU A 143 88.415 63.585 14.820 1.00 38.89 C ATOM 994 OE1 GLU A 143 87.348 63.494 14.182 1.00 39.74 O ATOM 995 OE2 GLU A 143 89.514 63.224 14.349 1.00 41.96 O ATOM 996 HA GLU A 143 88.252 66.283 14.455 1.00 0.00 H ATOM 997 HB2 GLU A 143 87.620 65.789 17.380 1.00 0.00 H ATOM 998 HB3 GLU A 143 86.585 65.300 16.018 1.00 0.00 H ATOM 999 HG2 GLU A 143 89.405 64.320 16.559 1.00 0.00 H ATOM 1000 HG3 GLU A 143 87.903 63.423 16.884 1.00 0.00 H ATOM 1001 H GLU A 143 89.916 66.540 16.798 1.00 0.00 H ATOM 1002 N HIS A 144 87.418 68.684 16.548 1.00 33.43 N ATOM 1003 CA HIS A 144 86.628 69.916 16.679 1.00 32.70 C ATOM 1004 C HIS A 144 86.828 70.796 15.444 1.00 33.70 C ATOM 1005 O HIS A 144 85.864 71.291 14.859 1.00 33.22 O ATOM 1006 CB HIS A 144 87.042 70.692 17.942 1.00 33.38 C ATOM 1007 CG HIS A 144 85.957 71.553 18.526 1.00 33.36 C ATOM 1008 ND1 HIS A 144 85.877 71.820 19.875 1.00 33.04 N ATOM 1009 CD2 HIS A 144 84.913 72.202 17.953 1.00 33.39 C ATOM 1010 CE1 HIS A 144 84.835 72.600 20.108 1.00 33.35 C ATOM 1011 NE2 HIS A 144 84.231 72.845 18.959 1.00 32.40 N ATOM 1012 HA HIS A 144 85.576 69.645 16.764 1.00 0.00 H ATOM 1013 HB2 HIS A 144 87.350 69.971 18.699 1.00 0.00 H ATOM 1014 HB3 HIS A 144 87.886 71.333 17.687 1.00 0.00 H ATOM 1015 HD2 HIS A 144 84.661 72.212 16.892 1.00 0.00 H ATOM 1016 HE1 HIS A 144 84.527 72.977 21.083 1.00 0.00 H ATOM 1017 H HIS A 144 88.130 68.465 17.274 1.00 0.00 H ATOM 1018 N ALA A 145 88.087 70.976 15.053 1.00 34.10 N ATOM 1019 CA ALA A 145 88.436 71.814 13.903 1.00 33.07 C ATOM 1020 C ALA A 145 88.044 71.170 12.576 1.00 33.37 C ATOM 1021 O ALA A 145 87.631 71.862 11.648 1.00 34.59 O ATOM 1022 CB ALA A 145 89.922 72.133 13.914 1.00 32.23 C ATOM 1023 HA ALA A 145 87.867 72.739 13.994 1.00 0.00 H ATOM 1024 HB1 ALA A 145 90.171 72.666 14.832 1.00 0.00 H ATOM 1025 HB2 ALA A 145 90.492 71.205 13.865 1.00 0.00 H ATOM 1026 HB3 ALA A 145 90.165 72.756 13.053 1.00 0.00 H ATOM 1027 H ALA A 145 88.849 70.506 15.582 1.00 0.00 H ATOM 1028 N LYS A 146 88.176 69.849 12.489 1.00 34.16 N ATOM 1029 CA LYS A 146 87.801 69.114 11.283 1.00 35.07 C ATOM 1030 C LYS A 146 86.317 69.280 10.951 1.00 34.08 C ATOM 1031 O LYS A 146 85.963 69.592 9.814 1.00 32.93 O ATOM 1032 CB LYS A 146 88.131 67.627 11.449 1.00 37.25 C ATOM 1033 CG LYS A 146 87.776 66.766 10.247 1.00 38.47 C ATOM 1034 CD LYS A 146 88.309 65.352 10.396 1.00 38.94 C ATOM 1035 CE LYS A 146 87.971 64.506 9.176 1.00 40.50 C ATOM 1036 NZ LYS A 146 88.568 63.144 9.248 1.00 41.67 N ATOM 1037 HA LYS A 146 88.376 69.529 10.455 1.00 0.00 H ATOM 1038 HB2 LYS A 146 89.202 67.534 11.631 1.00 0.00 H ATOM 1039 HB3 LYS A 146 87.583 67.250 12.312 1.00 0.00 H ATOM 1040 HG2 LYS A 146 86.691 66.727 10.147 1.00 0.00 H ATOM 1041 HG3 LYS A 146 88.206 67.214 9.351 1.00 0.00 H ATOM 1042 HD2 LYS A 146 89.392 65.390 10.514 1.00 0.00 H ATOM 1043 HD3 LYS A 146 87.864 64.895 11.280 1.00 0.00 H ATOM 1044 HE2 LYS A 146 88.349 65.008 8.286 1.00 0.00 H ATOM 1045 HE3 LYS A 146 86.888 64.411 9.105 1.00 0.00 H ATOM 1046 HZ1 LYS A 146 89.603 63.223 9.308 1.00 0.00 H ATOM 1047 HZ2 LYS A 146 88.207 62.653 10.091 1.00 0.00 H ATOM 1048 HZ3 LYS A 146 88.309 62.608 8.395 1.00 0.00 H ATOM 1049 H LYS A 146 88.557 69.325 13.302 1.00 0.00 H ATOM 1050 N TRP A 147 85.462 69.082 11.950 1.00 34.17 N ATOM 1051 CA TRP A 147 84.012 69.047 11.740 1.00 34.12 C ATOM 1052 C TRP A 147 83.306 70.384 11.976 1.00 34.42 C ATOM 1053 O TRP A 147 82.297 70.667 11.329 1.00 33.71 O ATOM 1054 CB TRP A 147 83.386 67.964 12.621 1.00 34.91 C ATOM 1055 CG TRP A 147 83.877 66.594 12.283 1.00 34.62 C ATOM 1056 CD1 TRP A 147 84.734 65.825 13.017 1.00 35.27 C ATOM 1057 CD2 TRP A 147 83.555 65.831 11.115 1.00 35.34 C ATOM 1058 NE1 TRP A 147 84.958 64.630 12.384 1.00 35.50 N ATOM 1059 CE2 TRP A 147 84.248 64.607 11.213 1.00 35.13 C ATOM 1060 CE3 TRP A 147 82.745 66.063 9.998 1.00 35.62 C ATOM 1061 CZ2 TRP A 147 84.156 63.613 10.235 1.00 35.26 C ATOM 1062 CZ3 TRP A 147 82.654 65.075 9.025 1.00 35.28 C ATOM 1063 CH2 TRP A 147 83.356 63.866 9.151 1.00 35.24 C ATOM 1064 HA TRP A 147 83.868 68.818 10.684 1.00 0.00 H ATOM 1065 HB2 TRP A 147 83.630 68.176 13.662 1.00 0.00 H ATOM 1066 HB3 TRP A 147 82.304 67.990 12.491 1.00 0.00 H ATOM 1067 HE1 TRP A 147 85.568 63.865 12.736 1.00 0.00 H ATOM 1068 HD1 TRP A 147 85.176 66.119 13.969 1.00 0.00 H ATOM 1069 HZ2 TRP A 147 84.699 62.673 10.330 1.00 0.00 H ATOM 1070 HH2 TRP A 147 83.263 63.112 8.370 1.00 0.00 H ATOM 1071 HZ3 TRP A 147 82.027 65.242 8.149 1.00 0.00 H ATOM 1072 HE3 TRP A 147 82.197 66.999 9.893 1.00 0.00 H ATOM 1073 H TRP A 147 85.834 68.948 12.912 1.00 0.00 H ATOM 1074 N PHE A 148 83.824 71.200 12.893 1.00 33.11 N ATOM 1075 CA PHE A 148 83.182 72.473 13.238 1.00 34.30 C ATOM 1076 C PHE A 148 84.175 73.638 13.196 1.00 35.11 C ATOM 1077 O PHE A 148 84.398 74.307 14.210 1.00 35.82 O ATOM 1078 CB PHE A 148 82.525 72.374 14.619 1.00 34.81 C ATOM 1079 CG PHE A 148 81.805 71.077 14.852 1.00 34.97 C ATOM 1080 CD1 PHE A 148 80.667 70.756 14.123 1.00 36.22 C ATOM 1081 CD2 PHE A 148 82.272 70.171 15.795 1.00 35.91 C ATOM 1082 CE1 PHE A 148 80.005 69.550 14.334 1.00 36.08 C ATOM 1083 CE2 PHE A 148 81.617 68.970 16.013 1.00 36.12 C ATOM 1084 CZ PHE A 148 80.484 68.658 15.283 1.00 35.75 C ATOM 1085 HA PHE A 148 82.413 72.674 12.492 1.00 0.00 H ATOM 1086 HB2 PHE A 148 83.300 72.479 15.378 1.00 0.00 H ATOM 1087 HB3 PHE A 148 81.808 73.189 14.719 1.00 0.00 H ATOM 1088 HD2 PHE A 148 83.166 70.408 16.372 1.00 0.00 H ATOM 1089 HE2 PHE A 148 81.994 68.271 16.759 1.00 0.00 H ATOM 1090 HZ PHE A 148 79.968 67.713 15.453 1.00 0.00 H ATOM 1091 HE1 PHE A 148 79.113 69.307 13.756 1.00 0.00 H ATOM 1092 HD1 PHE A 148 80.289 71.456 13.378 1.00 0.00 H ATOM 1093 H PHE A 148 84.704 70.928 13.376 1.00 0.00 H ATOM 1094 N PRO A 149 84.752 73.903 12.008 1.00 34.73 N ATOM 1095 CA PRO A 149 85.794 74.925 11.871 1.00 35.04 C ATOM 1096 C PRO A 149 85.338 76.358 12.166 1.00 34.36 C ATOM 1097 O PRO A 149 86.183 77.219 12.396 1.00 34.93 O ATOM 1098 CB PRO A 149 86.228 74.791 10.407 1.00 36.00 C ATOM 1099 CG PRO A 149 85.075 74.171 9.715 1.00 35.61 C ATOM 1100 CD PRO A 149 84.451 73.255 10.718 1.00 35.23 C ATOM 1101 HA PRO A 149 86.586 74.761 12.602 1.00 0.00 H ATOM 1102 HD3 PRO A 149 83.375 73.179 10.561 1.00 0.00 H ATOM 1103 HD2 PRO A 149 84.895 72.261 10.668 1.00 0.00 H ATOM 1104 HG3 PRO A 149 85.411 73.609 8.843 1.00 0.00 H ATOM 1105 HG2 PRO A 149 84.363 74.935 9.402 1.00 0.00 H ATOM 1106 HB2 PRO A 149 86.448 75.770 9.982 1.00 0.00 H ATOM 1107 HB3 PRO A 149 87.110 74.155 10.326 1.00 0.00 H ATOM 1108 N GLY A 150 84.028 76.606 12.160 1.00 34.74 N ATOM 1109 CA GLY A 150 83.483 77.936 12.438 1.00 34.66 C ATOM 1110 C GLY A 150 83.193 78.218 13.905 1.00 34.67 C ATOM 1111 O GLY A 150 82.720 79.300 14.245 1.00 35.60 O ATOM 1112 HA3 GLY A 150 82.552 78.043 11.882 1.00 0.00 H ATOM 1113 HA2 GLY A 150 84.202 78.676 12.087 1.00 0.00 H ATOM 1114 H GLY A 150 83.371 75.828 11.951 1.00 0.00 H ATOM 1115 N CYS A 151 83.473 77.254 14.779 1.00 33.58 N ATOM 1116 CA CYS A 151 83.234 77.428 16.205 1.00 33.78 C ATOM 1117 C CYS A 151 84.123 78.525 16.780 1.00 34.12 C ATOM 1118 O CYS A 151 85.340 78.480 16.625 1.00 35.16 O ATOM 1119 CB CYS A 151 83.521 76.133 16.944 1.00 34.32 C ATOM 1120 SG CYS A 151 83.240 76.236 18.707 1.00 33.88 S ATOM 1121 HA CYS A 151 82.189 77.710 16.334 1.00 0.00 H ATOM 1122 HB2 CYS A 151 84.564 75.864 16.776 1.00 0.00 H ATOM 1123 HB3 CYS A 151 82.876 75.354 16.537 1.00 0.00 H ATOM 1124 HG CYS A 151 83.526 75.018 19.289 1.00 0.00 H ATOM 1125 H CYS A 151 83.871 76.357 14.436 1.00 0.00 H ATOM 1126 N GLN A 152 83.516 79.493 17.462 1.00 34.13 N ATOM 1127 CA GLN A 152 84.260 80.637 17.989 1.00 34.58 C ATOM 1128 C GLN A 152 85.067 80.310 19.250 1.00 32.73 C ATOM 1129 O GLN A 152 86.094 80.936 19.501 1.00 33.91 O ATOM 1130 CB GLN A 152 83.321 81.825 18.236 1.00 36.87 C ATOM 1131 CG GLN A 152 82.664 82.357 16.965 1.00 40.33 C ATOM 1132 CD GLN A 152 83.676 82.788 15.916 1.00 42.97 C ATOM 1133 OE1 GLN A 152 84.366 83.795 16.079 1.00 45.47 O ATOM 1134 NE2 GLN A 152 83.771 82.022 14.831 1.00 45.96 N ATOM 1135 HA GLN A 152 84.988 80.908 17.225 1.00 0.00 H ATOM 1136 HB2 GLN A 152 82.537 81.508 18.923 1.00 0.00 H ATOM 1137 HB3 GLN A 152 83.897 82.631 18.691 1.00 0.00 H ATOM 1138 HG2 GLN A 152 82.036 81.573 16.542 1.00 0.00 H ATOM 1139 HG3 GLN A 152 82.045 83.215 17.226 1.00 0.00 H ATOM 1140 HE22 GLN A 152 83.168 81.180 14.735 1.00 0.00 H ATOM 1141 HE21 GLN A 152 84.448 82.266 14.080 1.00 0.00 H ATOM 1142 H GLN A 152 82.490 79.435 17.624 1.00 0.00 H ATOM 1143 N PHE A 153 84.597 79.352 20.047 1.00 34.06 N ATOM 1144 CA PHE A 153 85.385 78.813 21.158 1.00 33.19 C ATOM 1145 C PHE A 153 86.667 78.141 20.653 1.00 33.51 C ATOM 1146 O PHE A 153 87.747 78.360 21.205 1.00 35.60 O ATOM 1147 CB PHE A 153 84.564 77.824 21.991 1.00 34.91 C ATOM 1148 CG PHE A 153 85.360 77.139 23.063 1.00 34.54 C ATOM 1149 CD1 PHE A 153 85.713 77.818 24.219 1.00 34.63 C ATOM 1150 CD2 PHE A 153 85.777 75.824 22.907 1.00 34.80 C ATOM 1151 CE1 PHE A 153 86.459 77.194 25.212 1.00 35.82 C ATOM 1152 CE2 PHE A 153 86.519 75.195 23.896 1.00 35.16 C ATOM 1153 CZ PHE A 153 86.862 75.880 25.047 1.00 35.87 C ATOM 1154 HA PHE A 153 85.664 79.652 21.795 1.00 0.00 H ATOM 1155 HB2 PHE A 153 83.745 78.367 22.463 1.00 0.00 H ATOM 1156 HB3 PHE A 153 84.158 77.064 21.323 1.00 0.00 H ATOM 1157 HD2 PHE A 153 85.519 75.280 21.998 1.00 0.00 H ATOM 1158 HE2 PHE A 153 86.832 74.159 23.766 1.00 0.00 H ATOM 1159 HZ PHE A 153 87.448 75.387 25.822 1.00 0.00 H ATOM 1160 HE1 PHE A 153 86.726 77.738 26.118 1.00 0.00 H ATOM 1161 HD1 PHE A 153 85.402 78.854 24.351 1.00 0.00 H ATOM 1162 H PHE A 153 83.643 78.976 19.876 1.00 0.00 H ATOM 1163 N LEU A 154 86.539 77.322 19.610 1.00 32.83 N ATOM 1164 CA LEU A 154 87.696 76.730 18.931 1.00 32.81 C ATOM 1165 C LEU A 154 88.659 77.810 18.438 1.00 32.64 C ATOM 1166 O LEU A 154 89.872 77.729 18.656 1.00 32.77 O ATOM 1167 CB LEU A 154 87.233 75.876 17.744 1.00 32.82 C ATOM 1168 CG LEU A 154 88.289 75.378 16.754 1.00 33.54 C ATOM 1169 CD1 LEU A 154 89.183 74.327 17.390 1.00 34.14 C ATOM 1170 CD2 LEU A 154 87.618 74.830 15.504 1.00 34.20 C ATOM 1171 HA LEU A 154 88.220 76.101 19.651 1.00 0.00 H ATOM 1172 HB2 LEU A 154 86.734 74.998 18.153 1.00 0.00 H ATOM 1173 HB3 LEU A 154 86.515 76.470 17.179 1.00 0.00 H ATOM 1174 HG LEU A 154 88.919 76.222 16.471 1.00 0.00 H ATOM 1175 HD21 LEU A 154 86.965 74.001 15.777 1.00 0.00 H ATOM 1176 HD22 LEU A 154 87.030 75.618 15.034 1.00 0.00 H ATOM 1177 HD23 LEU A 154 88.380 74.479 14.808 1.00 0.00 H ATOM 1178 HD11 LEU A 154 89.690 74.757 18.254 1.00 0.00 H ATOM 1179 HD12 LEU A 154 88.576 73.480 17.708 1.00 0.00 H ATOM 1180 HD13 LEU A 154 89.923 73.993 16.663 1.00 0.00 H ATOM 1181 H LEU A 154 85.585 77.094 19.265 1.00 0.00 H ATOM 1182 N LEU A 155 88.117 78.815 17.758 1.00 32.23 N ATOM 1183 CA LEU A 155 88.932 79.907 17.234 1.00 32.67 C ATOM 1184 C LEU A 155 89.652 80.646 18.360 1.00 33.34 C ATOM 1185 O LEU A 155 90.860 80.862 18.295 1.00 30.88 O ATOM 1186 CB LEU A 155 88.065 80.887 16.439 1.00 32.51 C ATOM 1187 CG LEU A 155 88.745 82.151 15.907 1.00 32.06 C ATOM 1188 CD1 LEU A 155 89.914 81.808 14.993 1.00 34.03 C ATOM 1189 CD2 LEU A 155 87.725 83.015 15.186 1.00 32.85 C ATOM 1190 HA LEU A 155 89.682 79.475 16.571 1.00 0.00 H ATOM 1191 HB2 LEU A 155 87.660 80.347 15.583 1.00 0.00 H ATOM 1192 HB3 LEU A 155 87.248 81.202 17.087 1.00 0.00 H ATOM 1193 HG LEU A 155 89.149 82.710 16.751 1.00 0.00 H ATOM 1194 HD21 LEU A 155 87.300 82.455 14.353 1.00 0.00 H ATOM 1195 HD22 LEU A 155 86.932 83.295 15.880 1.00 0.00 H ATOM 1196 HD23 LEU A 155 88.213 83.914 14.809 1.00 0.00 H ATOM 1197 HD11 LEU A 155 90.649 81.226 15.549 1.00 0.00 H ATOM 1198 HD12 LEU A 155 89.552 81.225 14.146 1.00 0.00 H ATOM 1199 HD13 LEU A 155 90.374 82.728 14.633 1.00 0.00 H ATOM 1200 H LEU A 155 87.090 78.824 17.596 1.00 0.00 H ATOM 1201 N ARG A 156 88.907 81.026 19.392 1.00 35.02 N ATOM 1202 CA ARG A 156 89.479 81.762 20.515 1.00 36.56 C ATOM 1203 C ARG A 156 90.564 80.955 21.230 1.00 33.61 C ATOM 1204 O ARG A 156 91.578 81.511 21.652 1.00 32.77 O ATOM 1205 CB ARG A 156 88.381 82.159 21.502 1.00 39.01 C ATOM 1206 CG ARG A 156 88.871 82.956 22.703 1.00 42.29 C ATOM 1207 CD ARG A 156 87.702 83.539 23.476 1.00 47.51 C ATOM 1208 NE ARG A 156 87.981 83.648 24.907 1.00 52.91 N ATOM 1209 CZ ARG A 156 87.916 82.641 25.779 1.00 54.75 C ATOM 1210 NH1 ARG A 156 87.588 81.410 25.388 1.00 55.74 N ATOM 1211 NH2 ARG A 156 88.190 82.865 27.061 1.00 54.81 N ATOM 1212 HA ARG A 156 89.946 82.662 20.115 1.00 0.00 H ATOM 1213 HB2 ARG A 156 87.646 82.762 20.969 1.00 0.00 H ATOM 1214 HB3 ARG A 156 87.906 81.249 21.868 1.00 0.00 H ATOM 1215 HG2 ARG A 156 89.442 82.299 23.359 1.00 0.00 H ATOM 1216 HG3 ARG A 156 89.511 83.767 22.357 1.00 0.00 H ATOM 1217 HD2 ARG A 156 86.833 82.896 23.336 1.00 0.00 H ATOM 1218 HD3 ARG A 156 87.483 84.533 23.085 1.00 0.00 H ATOM 1219 HE ARG A 156 88.251 84.583 25.273 1.00 0.00 H ATOM 1220 HH12 ARG A 156 87.543 80.638 26.084 1.00 0.00 H ATOM 1221 HH11 ARG A 156 87.377 81.221 24.387 1.00 0.00 H ATOM 1222 HH22 ARG A 156 88.142 82.085 27.747 1.00 0.00 H ATOM 1223 HH21 ARG A 156 88.453 83.820 27.377 1.00 0.00 H ATOM 1224 H ARG A 156 87.893 80.794 19.400 1.00 0.00 H ATOM 1225 N SER A 157 90.345 79.648 21.350 1.00 33.14 N ATOM 1226 CA SER A 157 91.253 78.767 22.084 1.00 33.52 C ATOM 1227 C SER A 157 92.502 78.401 21.281 1.00 34.06 C ATOM 1228 O SER A 157 93.613 78.438 21.812 1.00 33.38 O ATOM 1229 CB SER A 157 90.524 77.485 22.503 1.00 34.67 C ATOM 1230 OG SER A 157 89.396 77.775 23.317 1.00 35.35 O ATOM 1231 HA SER A 157 91.580 79.320 22.965 1.00 0.00 H ATOM 1232 HB2 SER A 157 91.212 76.851 23.062 1.00 0.00 H ATOM 1233 HB3 SER A 157 90.191 76.957 21.609 1.00 0.00 H ATOM 1234 HG SER A 157 89.693 78.250 24.133 1.00 0.00 H ATOM 1235 H SER A 157 89.498 79.238 20.906 1.00 0.00 H ATOM 1236 N LYS A 158 92.317 78.053 20.007 1.00 33.53 N ATOM 1237 CA LYS A 158 93.393 77.468 19.195 1.00 32.79 C ATOM 1238 C LYS A 158 93.946 78.364 18.083 1.00 31.80 C ATOM 1239 O LYS A 158 95.049 78.117 17.590 1.00 30.31 O ATOM 1240 CB LYS A 158 92.917 76.143 18.587 1.00 33.38 C ATOM 1241 CG LYS A 158 92.556 75.066 19.610 1.00 35.14 C ATOM 1242 CD LYS A 158 93.748 74.624 20.466 1.00 36.07 C ATOM 1243 CE LYS A 158 94.717 73.748 19.696 1.00 37.96 C ATOM 1244 NZ LYS A 158 95.955 73.453 20.479 1.00 38.83 N ATOM 1245 HA LYS A 158 94.222 77.323 19.888 1.00 0.00 H ATOM 1246 HB2 LYS A 158 92.035 76.345 17.980 1.00 0.00 H ATOM 1247 HB3 LYS A 158 93.713 75.755 17.951 1.00 0.00 H ATOM 1248 HG2 LYS A 158 91.782 75.459 20.269 1.00 0.00 H ATOM 1249 HG3 LYS A 158 92.170 74.197 19.077 1.00 0.00 H ATOM 1250 HD2 LYS A 158 94.278 75.511 20.814 1.00 0.00 H ATOM 1251 HD3 LYS A 158 93.375 74.065 21.324 1.00 0.00 H ATOM 1252 HE2 LYS A 158 94.997 74.259 18.775 1.00 0.00 H ATOM 1253 HE3 LYS A 158 94.223 72.807 19.452 1.00 0.00 H ATOM 1254 HZ1 LYS A 158 96.438 74.344 20.710 1.00 0.00 H ATOM 1255 HZ2 LYS A 158 95.699 72.958 21.357 1.00 0.00 H ATOM 1256 HZ3 LYS A 158 96.587 72.852 19.913 1.00 0.00 H ATOM 1257 H LYS A 158 91.383 78.200 19.575 1.00 0.00 H ATOM 1258 N GLY A 159 93.192 79.388 17.685 1.00 31.89 N ATOM 1259 CA GLY A 159 93.639 80.318 16.647 1.00 32.25 C ATOM 1260 C GLY A 159 93.332 79.836 15.241 1.00 32.51 C ATOM 1261 O GLY A 159 93.103 78.645 15.016 1.00 30.61 O ATOM 1262 HA3 GLY A 159 94.717 80.450 16.741 1.00 0.00 H ATOM 1263 HA2 GLY A 159 93.142 81.276 16.802 1.00 0.00 H ATOM 1264 H GLY A 159 92.260 79.530 18.124 1.00 0.00 H ATOM 1265 N GLN A 160 93.335 80.768 14.290 1.00 32.32 N ATOM 1266 CA GLN A 160 92.949 80.468 12.911 1.00 33.20 C ATOM 1267 C GLN A 160 93.970 79.589 12.185 1.00 33.38 C ATOM 1268 O GLN A 160 93.587 78.738 11.378 1.00 34.10 O ATOM 1269 CB GLN A 160 92.718 81.762 12.122 1.00 33.82 C ATOM 1270 CG GLN A 160 92.044 81.563 10.765 1.00 34.88 C ATOM 1271 CD GLN A 160 90.669 80.919 10.879 1.00 37.27 C ATOM 1272 OE1 GLN A 160 89.792 81.422 11.583 1.00 38.88 O ATOM 1273 NE2 GLN A 160 90.479 79.802 10.186 1.00 36.73 N ATOM 1274 HA GLN A 160 92.019 79.902 12.966 1.00 0.00 H ATOM 1275 HB2 GLN A 160 92.089 82.420 12.722 1.00 0.00 H ATOM 1276 HB3 GLN A 160 93.685 82.238 11.956 1.00 0.00 H ATOM 1277 HG2 GLN A 160 91.935 82.535 10.284 1.00 0.00 H ATOM 1278 HG3 GLN A 160 92.679 80.924 10.151 1.00 0.00 H ATOM 1279 HE22 GLN A 160 91.249 79.413 9.605 1.00 0.00 H ATOM 1280 HE21 GLN A 160 89.560 79.316 10.225 1.00 0.00 H ATOM 1281 H GLN A 160 93.620 81.738 14.535 1.00 0.00 H ATOM 1282 N GLU A 161 95.256 79.799 12.460 1.00 33.26 N ATOM 1283 CA GLU A 161 96.318 79.017 11.818 1.00 34.83 C ATOM 1284 C GLU A 161 96.134 77.525 12.074 1.00 32.68 C ATOM 1285 O GLU A 161 96.264 76.712 11.159 1.00 32.48 O ATOM 1286 CB GLU A 161 97.702 79.444 12.314 1.00 36.73 C ATOM 1287 CG GLU A 161 98.120 80.842 11.898 1.00 38.95 C ATOM 1288 CD GLU A 161 99.584 81.134 12.197 1.00 39.83 C ATOM 1289 OE1 GLU A 161 100.278 80.259 12.762 1.00 42.81 O ATOM 1290 OE2 GLU A 161 100.040 82.246 11.864 1.00 41.99 O ATOM 1291 HA GLU A 161 96.250 79.209 10.747 1.00 0.00 H ATOM 1292 HB2 GLU A 161 97.702 79.399 13.403 1.00 0.00 H ATOM 1293 HB3 GLU A 161 98.436 78.739 11.923 1.00 0.00 H ATOM 1294 HG2 GLU A 161 97.955 80.951 10.826 1.00 0.00 H ATOM 1295 HG3 GLU A 161 97.504 81.564 12.434 1.00 0.00 H ATOM 1296 H GLU A 161 95.514 80.536 13.147 1.00 0.00 H ATOM 1297 N TYR A 162 95.838 77.182 13.326 1.00 32.23 N ATOM 1298 CA TYR A 162 95.565 75.801 13.717 1.00 33.53 C ATOM 1299 C TYR A 162 94.406 75.203 12.916 1.00 33.57 C ATOM 1300 O TYR A 162 94.516 74.095 12.394 1.00 35.30 O ATOM 1301 CB TYR A 162 95.261 75.721 15.218 1.00 33.65 C ATOM 1302 CG TYR A 162 94.904 74.329 15.690 1.00 33.58 C ATOM 1303 CD1 TYR A 162 95.894 73.416 16.036 1.00 34.26 C ATOM 1304 CD2 TYR A 162 93.576 73.922 15.775 1.00 33.78 C ATOM 1305 CE1 TYR A 162 95.571 72.132 16.461 1.00 34.31 C ATOM 1306 CE2 TYR A 162 93.244 72.644 16.200 1.00 33.27 C ATOM 1307 CZ TYR A 162 94.245 71.754 16.539 1.00 33.97 C ATOM 1308 OH TYR A 162 93.914 70.487 16.956 1.00 35.11 O ATOM 1309 HA TYR A 162 96.459 75.217 13.499 1.00 0.00 H ATOM 1310 HB3 TYR A 162 94.424 76.384 15.436 1.00 0.00 H ATOM 1311 HB2 TYR A 162 96.141 76.056 15.767 1.00 0.00 H ATOM 1312 HD2 TYR A 162 92.783 74.619 15.503 1.00 0.00 H ATOM 1313 HE2 TYR A 162 92.198 72.343 16.266 1.00 0.00 H ATOM 1314 HE1 TYR A 162 96.359 71.429 16.731 1.00 0.00 H ATOM 1315 HD1 TYR A 162 96.941 73.712 15.973 1.00 0.00 H ATOM 1316 HH TYR A 162 94.741 69.981 17.158 1.00 0.00 H ATOM 1317 H TYR A 162 95.800 77.925 14.053 1.00 0.00 H ATOM 1318 N ILE A 163 93.307 75.946 12.816 1.00 33.86 N ATOM 1319 CA ILE A 163 92.117 75.477 12.101 1.00 34.26 C ATOM 1320 C ILE A 163 92.413 75.297 10.610 1.00 35.42 C ATOM 1321 O ILE A 163 92.049 74.280 10.020 1.00 36.38 O ATOM 1322 CB ILE A 163 90.920 76.444 12.272 1.00 35.11 C ATOM 1323 CG1 ILE A 163 90.558 76.602 13.753 1.00 33.39 C ATOM 1324 CG2 ILE A 163 89.705 75.934 11.507 1.00 34.78 C ATOM 1325 CD1 ILE A 163 89.471 77.624 14.013 1.00 34.10 C ATOM 1326 HA ILE A 163 91.847 74.516 12.538 1.00 0.00 H ATOM 1327 HB ILE A 163 91.215 77.414 11.871 1.00 0.00 H ATOM 1328 HG12 ILE A 163 90.219 75.637 14.129 1.00 0.00 H ATOM 1329 HG13 ILE A 163 91.453 76.907 14.295 1.00 0.00 H ATOM 1330 HD11 ILE A 163 89.798 78.600 13.654 1.00 0.00 H ATOM 1331 HD12 ILE A 163 88.563 77.328 13.488 1.00 0.00 H ATOM 1332 HD13 ILE A 163 89.272 77.677 15.083 1.00 0.00 H ATOM 1333 HG21 ILE A 163 89.950 75.858 10.448 1.00 0.00 H ATOM 1334 HG22 ILE A 163 89.424 74.952 11.887 1.00 0.00 H ATOM 1335 HG23 ILE A 163 88.875 76.628 11.641 1.00 0.00 H ATOM 1336 H ILE A 163 93.292 76.887 13.258 1.00 0.00 H ATOM 1337 N ASN A 164 93.083 76.283 10.018 1.00 33.32 N ATOM 1338 CA ASN A 164 93.443 76.244 8.597 1.00 36.37 C ATOM 1339 C ASN A 164 94.338 75.057 8.242 1.00 37.49 C ATOM 1340 O ASN A 164 94.165 74.442 7.189 1.00 38.43 O ATOM 1341 CB ASN A 164 94.138 77.546 8.181 1.00 35.51 C ATOM 1342 CG ASN A 164 93.192 78.736 8.137 1.00 35.84 C ATOM 1343 OD1 ASN A 164 91.974 78.590 8.241 1.00 36.86 O ATOM 1344 ND2 ASN A 164 93.756 79.927 7.972 1.00 36.05 N ATOM 1345 HA ASN A 164 92.508 76.127 8.049 1.00 0.00 H ATOM 1346 HB2 ASN A 164 94.933 77.760 8.896 1.00 0.00 H ATOM 1347 HB3 ASN A 164 94.570 77.408 7.190 1.00 0.00 H ATOM 1348 HD22 ASN A 164 94.790 80.006 7.888 1.00 0.00 H ATOM 1349 HD21 ASN A 164 93.164 80.781 7.926 1.00 0.00 H ATOM 1350 H ASN A 164 93.361 77.110 10.583 1.00 0.00 H ATOM 1351 N ASN A 165 95.287 74.741 9.121 1.00 38.71 N ATOM 1352 CA ASN A 165 96.230 73.644 8.885 1.00 41.22 C ATOM 1353 C ASN A 165 95.583 72.257 8.921 1.00 42.82 C ATOM 1354 O ASN A 165 96.080 71.325 8.287 1.00 42.83 O ATOM 1355 CB ASN A 165 97.392 73.707 9.887 1.00 43.18 C ATOM 1356 CG ASN A 165 98.350 74.860 9.611 1.00 45.89 C ATOM 1357 OD1 ASN A 165 98.434 75.365 8.491 1.00 47.09 O ATOM 1358 ND2 ASN A 165 99.083 75.275 10.637 1.00 47.80 N ATOM 1359 HA ASN A 165 96.605 73.785 7.871 1.00 0.00 H ATOM 1360 HB2 ASN A 165 96.981 73.828 10.889 1.00 0.00 H ATOM 1361 HB3 ASN A 165 97.949 72.771 9.834 1.00 0.00 H ATOM 1362 HD22 ASN A 165 98.981 74.820 11.567 1.00 0.00 H ATOM 1363 HD21 ASN A 165 99.760 76.055 10.511 1.00 0.00 H ATOM 1364 H ASN A 165 95.361 75.289 10.002 1.00 0.00 H ATOM 1365 N ILE A 166 94.481 72.121 9.655 1.00 44.12 N ATOM 1366 CA ILE A 166 93.737 70.859 9.700 1.00 45.68 C ATOM 1367 C ILE A 166 92.967 70.610 8.392 1.00 47.79 C ATOM 1368 O ILE A 166 92.652 69.464 8.067 1.00 48.96 O ATOM 1369 CB ILE A 166 92.803 70.801 10.932 1.00 45.83 C ATOM 1370 CG1 ILE A 166 93.647 70.749 12.207 1.00 46.08 C ATOM 1371 CG2 ILE A 166 91.892 69.579 10.882 1.00 45.44 C ATOM 1372 CD1 ILE A 166 92.852 70.818 13.472 1.00 46.46 C ATOM 1373 HA ILE A 166 94.464 70.053 9.803 1.00 0.00 H ATOM 1374 HB ILE A 166 92.178 71.694 10.927 1.00 0.00 H ATOM 1375 HG12 ILE A 166 94.210 69.815 12.207 1.00 0.00 H ATOM 1376 HG13 ILE A 166 94.341 71.590 12.193 1.00 0.00 H ATOM 1377 HD11 ILE A 166 92.291 71.752 13.497 1.00 0.00 H ATOM 1378 HD12 ILE A 166 92.160 69.977 13.511 1.00 0.00 H ATOM 1379 HD13 ILE A 166 93.527 70.775 14.327 1.00 0.00 H ATOM 1380 HG21 ILE A 166 91.277 69.622 9.983 1.00 0.00 H ATOM 1381 HG22 ILE A 166 92.500 68.675 10.865 1.00 0.00 H ATOM 1382 HG23 ILE A 166 91.250 69.570 11.763 1.00 0.00 H ATOM 1383 H ILE A 166 94.139 72.931 10.211 1.00 0.00 H ATOM 1384 N HIS A 167 92.687 71.677 7.643 1.00 49.19 N ATOM 1385 CA HIS A 167 92.097 71.563 6.304 1.00 49.12 C ATOM 1386 C HIS A 167 93.133 71.897 5.238 1.00 49.43 C ATOM 1387 O HIS A 167 92.804 72.033 4.060 1.00 50.21 O ATOM 1388 CB HIS A 167 90.896 72.498 6.163 1.00 50.12 C ATOM 1389 CG HIS A 167 89.928 72.405 7.297 1.00 50.70 C ATOM 1390 ND1 HIS A 167 90.126 73.062 8.491 1.00 51.95 N ATOM 1391 CD2 HIS A 167 88.762 71.729 7.427 1.00 50.79 C ATOM 1392 CE1 HIS A 167 89.124 72.798 9.307 1.00 50.83 C ATOM 1393 NE2 HIS A 167 88.281 71.991 8.687 1.00 50.31 N ATOM 1394 HA HIS A 167 91.762 70.535 6.168 1.00 0.00 H ATOM 1395 HB2 HIS A 167 91.262 73.523 6.105 1.00 0.00 H ATOM 1396 HB3 HIS A 167 90.371 72.249 5.241 1.00 0.00 H ATOM 1397 HD2 HIS A 167 88.293 71.096 6.674 1.00 0.00 H ATOM 1398 HE1 HIS A 167 89.010 73.181 10.321 1.00 0.00 H ATOM 1399 H HIS A 167 92.894 72.624 8.021 1.00 0.00 H TER 1400 HIS A 167 HETATM 1401 ZN ZN A 1 82.550 74.068 19.172 1.00 35.25 ZN HETATM 1402 O HOH 2 90.175 68.995 31.208 1.00 29.69 O HETATM 1403 O HOH 3 92.226 68.818 24.277 1.00 24.94 O HETATM 1404 O HOH 4 86.434 76.568 28.998 1.00 24.32 O HETATM 1405 O HOH 5 77.192 63.106 31.538 1.00 27.47 O HETATM 1406 O HOH 6 75.653 75.161 34.515 1.00 20.83 O HETATM 1407 O HOH 7 93.263 58.700 29.595 1.00 24.24 O HETATM 1408 O HOH 8 91.976 60.216 31.506 1.00 42.07 O HETATM 1409 O HOH 9 81.564 75.049 11.602 1.00 34.75 O HETATM 1410 O HOH 10 74.621 82.469 24.745 1.00 28.30 O HETATM 1411 O HOH 11 92.739 67.612 21.893 1.00 25.01 O HETATM 1412 O HOH 12 79.549 76.499 33.302 1.00 33.34 O HETATM 1413 O HOH 13 79.436 80.240 29.194 1.00 34.72 O HETATM 1414 O HOH 14 84.982 58.428 36.944 1.00 29.45 O HETATM 1415 O HOH 15 86.046 62.533 34.511 1.00 39.41 O HETATM 1416 O HOH 16 86.385 54.312 30.367 1.00 27.98 O HETATM 1417 O HOH 17 86.680 76.859 31.979 1.00 28.99 O HETATM 1418 O HOH 18 94.653 58.168 25.306 1.00 39.94 O HETATM 1419 O HOH 19 96.147 61.551 19.705 1.00 33.91 O HETATM 1420 O HOH 20 90.087 84.277 11.828 1.00 44.28 O HETATM 1421 O HOH 21 86.746 75.235 35.020 1.00 27.62 O HETATM 1422 O HOH 22 86.190 79.216 13.947 1.00 34.66 O HETATM 1423 O HOH 23 80.494 79.568 17.008 1.00 26.25 O HETATM 1424 O HOH 24 96.594 78.805 15.571 1.00 23.30 O HETATM 1425 O HOH 25 74.139 84.634 19.801 1.00 60.26 O HETATM 1426 O HOH 26 81.831 77.111 9.150 1.00 52.09 O HETATM 1427 O HOH 27 84.269 79.124 28.893 1.00 37.57 O HETATM 1428 O HOH 28 89.671 52.746 28.667 1.00 35.11 O HETATM 1429 O HOH 29 91.282 83.508 18.070 1.00 24.82 O HETATM 1430 O HOH 30 88.352 63.128 35.551 1.00 53.62 O HETATM 1431 O HOH 31 96.802 76.135 18.546 1.00 44.21 O HETATM 1432 O HOH 32 90.458 78.223 30.300 1.00 48.13 O HETATM 1433 O HOH 33 94.281 69.953 25.890 1.00 45.89 O HETATM 1434 O HOH 34 76.470 76.464 36.734 1.00 27.26 O HETATM 1435 O HOH 35 96.224 71.000 5.178 1.00 66.72 O HETATM 1436 O HOH 36 78.180 55.816 28.089 1.00 45.47 O HETATM 1437 O HOH 37 88.858 77.401 28.037 1.00 33.82 O HETATM 1438 O HOH 38 95.671 69.199 18.364 1.00 30.43 O HETATM 1439 O HOH 39 87.594 62.000 11.537 1.00 53.15 O HETATM 1440 O HOH 40 86.244 59.875 33.846 1.00 48.82 O HETATM 1441 O HOH 41 79.541 77.405 35.891 1.00 42.69 O HETATM 1442 O HOH 42 83.428 54.918 33.425 1.00 57.86 O HETATM 1443 O HOH 43 96.712 72.329 12.929 1.00 37.65 O HETATM 1444 O HOH 44 97.252 75.952 21.353 1.00 37.50 O HETATM 1445 O HOH 45 76.387 72.639 15.116 1.00 57.35 O HETATM 1446 O HOH 46 83.192 75.323 37.813 1.00 39.46 O HETATM 1447 O HOH 47 92.399 65.162 35.482 1.00 49.75 O HETATM 1448 O HOH 48 84.412 84.324 22.638 1.00 62.66 O HETATM 1449 O HOH 49 76.504 68.175 15.188 1.00 39.51 O HETATM 1450 O HOH 50 95.865 82.829 10.610 1.00 44.52 O HETATM 1451 O HOH 51 89.410 78.905 25.813 1.00 60.97 O HETATM 1452 O HOH 52 91.797 68.621 33.227 1.00 44.70 O HETATM 1453 O HOH 53 90.176 61.242 34.920 1.00 48.80 O HETATM 1454 O HOH 54 89.619 58.723 13.364 1.00 47.98 O HETATM 1455 O HOH 55 79.831 53.614 23.640 1.00 52.22 O HETATM 1456 O HOH 56 72.426 62.041 23.713 1.00 49.54 O HETATM 1457 O HOH 57 91.777 67.757 35.812 1.00 51.22 O HETATM 1458 O HOH 58 74.562 57.663 35.715 1.00 54.38 O HETATM 1459 O HOH 59 102.553 80.873 10.982 1.00 49.53 O HETATM 1460 O HOH 60 84.338 78.136 8.756 1.00 60.19 O HETATM 1461 O HOH 61 87.084 81.165 12.275 1.00 49.75 O HETATM 1462 O HOH 62 94.260 68.554 28.894 1.00 59.93 O HETATM 1463 O HOH 63 79.722 79.128 32.325 1.00 56.30 O HETATM 1464 O HOH 64 79.376 52.364 26.005 1.00 56.46 O HETATM 1465 O HOH 65 82.451 53.117 23.342 1.00 54.30 O HETATM 1466 O HOH 66 78.183 82.601 29.306 1.00 44.77 O HETATM 1467 O HOH 67 85.058 79.189 32.802 1.00 55.05 O HETATM 1468 O HOH 68 90.595 81.246 26.847 1.00 71.42 O HETATM 1469 O HOH 69 84.303 56.487 13.599 1.00 50.76 O HETATM 1470 O HOH 70 92.108 74.445 29.246 1.00 50.16 O HETATM 1471 O HOH 71 79.017 68.035 34.966 1.00 39.38 O HETATM 1472 O HOH 72 77.486 79.159 18.753 1.00 49.23 O HETATM 1473 O HOH 73 75.882 60.761 31.889 1.00 53.81 O HETATM 1474 O HOH 74 99.208 71.307 22.312 1.00 60.27 O HETATM 1475 O HOH 75 80.476 72.608 10.589 1.00 48.23 O HETATM 1476 O HOH 76 75.922 78.611 34.659 1.00 42.53 O HETATM 1477 O HOH 77 90.754 82.134 7.224 1.00 61.77 O HETATM 1478 O HOH 78 91.875 60.391 37.800 1.00 56.62 O HETATM 1479 O HOH 79 90.438 74.687 27.149 1.00 40.30 O HETATM 1480 O HOH 80 87.315 53.200 20.262 1.00 49.15 O HETATM 1481 O HOH 81 82.835 54.561 12.404 1.00 56.78 O HETATM 1482 O HOH 82 93.026 72.083 30.271 1.00 45.43 O HETATM 1483 O HOH 83 85.472 77.588 35.190 1.00 69.80 O HETATM 1484 O HOH 84 72.795 56.958 17.875 1.00 56.57 O HETATM 1485 O HOH 85 89.392 76.470 32.095 1.00 41.16 O HETATM 1486 O HOH 86 87.592 78.614 10.076 1.00 40.77 O HETATM 1487 O HOH 87 79.659 77.445 14.602 1.00 53.54 O HETATM 1488 O HOH 88 82.824 73.469 39.637 1.00 43.56 O HETATM 1489 O HOH 89 74.485 79.916 32.860 1.00 36.02 O HETATM 1490 O HOH 90 88.212 87.128 14.490 1.00 68.50 O HETATM 1491 O HOH 91 81.286 81.027 12.675 1.00 50.67 O HETATM 1492 O HOH 92 74.976 83.138 17.750 1.00 63.71 O HETATM 1493 O HOH 93 94.533 52.254 15.354 1.00 69.10 O HETATM 1494 O HOH 94 82.690 80.098 9.680 1.00 60.66 O HETATM 1495 O HOH 95 92.854 60.243 22.055 1.00 31.27 O HETATM 1496 O HOH 96 92.831 49.450 21.966 1.00 41.67 O HETATM 1497 O HOH 97 73.700 70.807 17.057 1.00 51.72 O HETATM 1498 O HOH 98 87.362 51.326 27.055 1.00 58.67 O HETATM 1499 O HOH 99 93.416 82.995 7.627 1.00 69.19 O HETATM 1500 O HOH 100 80.750 53.710 30.472 1.00 50.90 O HETATM 1501 O HOH 101 76.962 68.441 12.108 1.00 55.23 O HETATM 1502 O HOH 102 92.120 49.915 24.383 1.00 58.91 O HETATM 1503 O HOH 103 85.647 85.401 14.280 1.00 49.86 O HETATM 1504 O HOH 104 84.363 50.783 28.673 1.00 46.23 O HETATM 1505 O HOH 105 72.179 58.931 35.501 1.00 57.35 O HETATM 1506 O HOH 106 82.003 80.572 28.457 1.00 49.51 O HETATM 1507 O HOH 107 97.864 68.775 16.707 1.00 49.66 O HETATM 1508 O HOH 108 92.748 68.743 4.500 1.00 68.76 O HETATM 1509 O HOH 109 86.795 80.027 28.445 1.00 75.04 O HETATM 1510 O HOH 110 82.034 81.212 25.838 1.00 56.56 O HETATM 1511 O HOH 111 81.148 83.899 25.054 1.00 46.01 O HETATM 1512 O HOH 112 96.332 70.745 20.433 1.00 51.53 O HETATM 1513 O HOH 113 72.401 69.573 26.034 1.00 27.42 O HETATM 1514 O HOH 114 92.071 63.130 15.536 1.00 31.74 O HETATM 1515 O HOH 115 89.251 68.320 39.528 1.00 31.19 O HETATM 1516 O HOH 116 74.530 62.508 35.040 1.00 33.65 O HETATM 1517 O HOH 117 105.462 78.927 13.026 1.00 56.99 O HETATM 1518 O HOH 118 83.648 54.450 19.656 1.00 35.21 O HETATM 1519 O HOH 119 76.581 85.536 19.066 1.00 58.45 O HETATM 1520 O HOH 120 90.949 64.465 7.412 1.00 61.21 O HETATM 1521 O HOH 121 97.685 70.167 14.263 1.00 53.32 O HETATM 1522 O HOH 122 97.217 80.289 8.436 1.00 63.30 O HETATM 1523 O HOH 123 89.263 52.470 18.238 1.00 42.02 O HETATM 1524 O HOH 124 86.248 62.557 7.284 1.00 71.46 O HETATM 1525 O HOH 125 92.452 57.964 15.727 1.00 41.32 O HETATM 1526 O HOH 126 102.842 79.493 13.436 1.00 65.60 O HETATM 1527 O HOH 127 85.343 57.310 11.221 1.00 59.11 O HETATM 1528 O HOH 128 84.826 81.616 24.293 1.00 48.18 O HETATM 1529 O HOH 129 90.587 63.215 11.506 1.00 56.84 O HETATM 1530 O HOH 130 98.203 84.070 11.041 1.00 64.26 O HETATM 1531 O HOH 131 89.451 71.031 34.683 1.00 49.41 O HETATM 1532 O HOH 132 74.252 80.200 20.295 1.00 48.03 O HETATM 1533 O HOH 133 75.802 65.613 15.603 1.00 48.75 O HETATM 1534 O HOH 134 72.599 55.005 26.495 1.00 81.99 O HETATM 1535 O HOH 135 84.472 80.428 26.628 1.00 61.92 O HETATM 1536 O HOH 136 79.716 83.757 27.378 1.00 66.70 O HETATM 1537 O HOH 137 75.533 83.556 27.057 1.00 41.51 O HETATM 1538 O HOH 138 72.962 84.298 23.374 1.00 62.55 O HETATM 1539 O HOH 139 72.711 86.103 18.032 1.00 60.71 O HETATM 1540 O HOH 140 95.380 65.805 30.225 1.00 51.73 O HETATM 1541 O HOH 141 73.445 65.855 16.867 1.00 65.02 O HETATM 1542 O HOH 142 94.940 63.270 21.405 1.00 46.33 O HETATM 1543 O HOH 143 83.722 62.954 35.723 1.00168.03 O HETATM 1544 O HOH 144 84.118 81.877 21.844 1.00 60.54 O HETATM 1545 O HOH 145 79.686 85.209 21.104 1.00 64.08 O HETATM 1546 O HOH 146 96.000 73.554 4.274 1.00 62.62 O HETATM 1547 O HOH 147 95.297 69.034 14.508 1.00 85.49 O HETATM 1548 O HOH 148 70.878 64.796 19.334 1.00 77.44 O HETATM 1549 O HOH 149 92.582 71.034 34.230 1.00 63.13 O HETATM 1550 O HOH 150 85.763 66.288 7.619 1.00 73.66 O HETATM 1551 O16 UNN A 151 80.526 62.063 14.922 1.00 -0.39 O HETATM 1552 C15 UNN A 151 80.848 62.349 13.778 1.00 0.21 C HETATM 1553 C8 UNN A 151 82.020 61.651 13.144 1.00 0.13 C HETATM 1554 C9 UNN A 151 81.511 60.529 12.234 1.00 -0.00 C HETATM 1555 C10 UNN A 151 80.898 59.369 13.019 1.00 -0.05 C HETATM 1556 C11 UNN A 151 80.359 58.293 12.084 1.00 -0.05 C HETATM 1557 C12 UNN A 151 81.449 57.777 11.149 1.00 -0.05 C HETATM 1558 C13 UNN A 151 82.106 58.923 10.386 1.00 -0.05 C HETATM 1559 C14 UNN A 151 82.627 59.990 11.344 1.00 -0.05 C HETATM 1560 H11 UNN A 151 83.410 59.550 11.979 1.00 0.03 H HETATM 1561 H12 UNN A 151 83.052 60.820 10.760 1.00 0.03 H HETATM 1562 H9 UNN A 151 81.366 59.377 9.711 1.00 0.03 H HETATM 1563 H10 UNN A 151 82.946 58.528 9.797 1.00 0.03 H HETATM 1564 H7 UNN A 151 81.002 57.076 10.429 1.00 0.03 H HETATM 1565 H8 UNN A 151 82.214 57.255 11.743 1.00 0.03 H HETATM 1566 H5 UNN A 151 79.542 58.717 11.482 1.00 0.03 H HETATM 1567 H6 UNN A 151 79.975 57.455 12.685 1.00 0.03 H HETATM 1568 H3 UNN A 151 80.073 59.751 13.639 1.00 0.03 H HETATM 1569 H4 UNN A 151 81.669 58.927 13.667 1.00 0.03 H HETATM 1570 H2 UNN A 151 80.729 60.954 11.588 1.00 0.03 H HETATM 1571 N7 UNN A 151 82.933 61.135 14.156 1.00 -0.26 N HETATM 1572 C5 UNN A 151 84.261 61.195 14.056 1.00 0.23 C HETATM 1573 O6 UNN A 151 84.845 61.654 13.089 1.00 -0.39 O HETATM 1574 C3 UNN A 151 85.046 60.633 15.206 1.00 0.06 C HETATM 1575 C4 UNN A 151 85.124 61.651 16.334 1.00 -0.00 C HETATM 1576 H15 UNN A 151 85.701 61.228 17.170 1.00 0.03 H HETATM 1577 H16 UNN A 151 84.108 61.897 16.677 1.00 0.03 H HETATM 1578 H17 UNN A 151 85.620 62.563 15.971 1.00 0.03 H HETATM 1579 N2 UNN A 151 86.382 60.245 14.790 1.00 0.24 N HETATM 1580 C1 UNN A 151 86.551 59.082 13.939 1.00 -0.04 C HETATM 1581 H20 UNN A 151 87.620 58.937 13.725 1.00 0.08 H HETATM 1582 H21 UNN A 151 86.005 59.235 12.996 1.00 0.08 H HETATM 1583 H22 UNN A 151 86.156 58.192 14.451 1.00 0.08 H HETATM 1584 H18 UNN A 151 86.914 60.075 15.629 1.00 0.20 H HETATM 1585 H19 UNN A 151 86.776 61.030 14.296 1.00 0.20 H HETATM 1586 H14 UNN A 151 84.525 59.738 15.577 1.00 0.11 H HETATM 1587 H13 UNN A 151 82.541 60.712 14.973 1.00 0.19 H HETATM 1588 H1 UNN A 151 82.568 62.379 12.527 1.00 0.08 H HETATM 1589 N17 UNN A 151 80.174 63.260 13.065 1.00 -0.25 N HETATM 1590 C18 UNN A 151 78.994 63.902 13.637 1.00 0.12 C HETATM 1591 C19 UNN A 151 78.565 64.966 12.629 1.00 -0.01 C HETATM 1592 C20 UNN A 151 79.719 65.112 11.707 1.00 -0.03 C HETATM 1593 C21 UNN A 151 80.438 63.769 11.723 1.00 0.04 C HETATM 1594 H28 UNN A 151 80.027 63.094 10.958 1.00 0.05 H HETATM 1595 H29 UNN A 151 81.518 63.898 11.556 1.00 0.05 H HETATM 1596 H26 UNN A 151 80.390 65.910 12.057 1.00 0.03 H HETATM 1597 H27 UNN A 151 79.370 65.347 10.691 1.00 0.03 H HETATM 1598 H24 UNN A 151 78.355 65.918 13.138 1.00 0.03 H HETATM 1599 H25 UNN A 151 77.670 64.639 12.079 1.00 0.03 H HETATM 1600 C22 UNN A 151 77.871 62.939 13.926 1.00 0.12 C HETATM 1601 S23 UNN A 151 77.608 61.513 13.098 1.00 0.00 S HETATM 1602 C24 UNN A 151 76.307 61.289 14.118 1.00 0.02 C HETATM 1603 C25 UNN A 151 76.116 62.251 15.032 1.00 0.02 C HETATM 1604 N26 UNN A 151 77.023 63.209 14.908 1.00 -0.31 N HETATM 1605 C27 UNN A 151 74.995 62.261 16.039 1.00 -0.01 C HETATM 1606 C28 UNN A 151 73.740 61.838 15.599 1.00 -0.06 C HETATM 1607 C29 UNN A 151 72.651 61.824 16.463 1.00 -0.07 C HETATM 1608 C30 UNN A 151 72.813 62.241 17.779 1.00 -0.06 C HETATM 1609 C31 UNN A 151 74.060 62.669 18.226 1.00 -0.02 C HETATM 1610 C33 UNN A 151 74.188 63.081 19.550 1.00 -0.06 C HETATM 1611 C34 UNN A 151 75.415 63.516 20.033 1.00 -0.06 C HETATM 1612 C35 UNN A 151 76.520 63.536 19.190 1.00 -0.06 C HETATM 1613 C36 UNN A 151 76.394 63.124 17.865 1.00 -0.05 C HETATM 1614 C32 UNN A 151 75.160 62.685 17.365 1.00 -0.01 C HETATM 1615 H35 UNN A 151 77.260 63.143 17.213 1.00 0.06 H HETATM 1616 H36 UNN A 151 77.480 63.872 19.564 1.00 0.06 H HETATM 1617 H37 UNN A 151 75.511 63.839 21.063 1.00 0.06 H HETATM 1618 H34 UNN A 151 73.326 63.062 20.207 1.00 0.06 H HETATM 1619 H33 UNN A 151 71.968 62.233 18.458 1.00 0.06 H HETATM 1620 H32 UNN A 151 71.681 61.490 16.112 1.00 0.06 H HETATM 1621 H31 UNN A 151 73.613 61.517 14.572 1.00 0.06 H HETATM 1622 H30 UNN A 151 75.656 60.419 14.046 1.00 0.07 H HETATM 1623 H23 UNN A 151 79.275 64.388 14.583 1.00 0.08 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 1551 1552 CONECT 1552 1551 1553 1589 CONECT 1553 1552 1554 1571 1588 CONECT 1554 1553 1555 1559 1570 CONECT 1555 1554 1556 1568 1569 CONECT 1556 1555 1557 1566 1567 CONECT 1557 1556 1558 1564 1565 CONECT 1558 1557 1559 1562 1563 CONECT 1559 1554 1558 1560 1561 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1558 CONECT 1563 1558 CONECT 1564 1557 CONECT 1565 1557 CONECT 1566 1556 CONECT 1567 1556 CONECT 1568 1555 CONECT 1569 1555 CONECT 1570 1554 CONECT 1571 1553 1572 1587 CONECT 1572 1571 1573 1574 CONECT 1573 1572 CONECT 1574 1572 1575 1579 1586 CONECT 1575 1574 1576 1577 1578 CONECT 1576 1575 CONECT 1577 1575 CONECT 1578 1575 CONECT 1579 1574 1580 1584 1585 CONECT 1580 1579 1581 1582 1583 CONECT 1581 1580 CONECT 1582 1580 CONECT 1583 1580 CONECT 1584 1579 CONECT 1585 1579 CONECT 1586 1574 CONECT 1587 1571 CONECT 1588 1553 CONECT 1589 1552 1590 1593 CONECT 1590 1589 1591 1600 1623 CONECT 1591 1590 1592 1598 1599 CONECT 1592 1591 1593 1596 1597 CONECT 1593 1589 1592 1594 1595 CONECT 1594 1593 CONECT 1595 1593 CONECT 1596 1592 CONECT 1597 1592 CONECT 1598 1591 CONECT 1599 1591 CONECT 1600 1590 1601 1604 CONECT 1601 1600 1602 CONECT 1602 1601 1603 1622 CONECT 1603 1602 1604 1605 CONECT 1604 1600 1603 CONECT 1605 1603 1606 1614 CONECT 1606 1605 1607 1621 CONECT 1607 1606 1608 1620 CONECT 1608 1607 1609 1619 CONECT 1609 1608 1610 1614 CONECT 1610 1609 1611 1618 CONECT 1611 1610 1612 1617 CONECT 1612 1611 1613 1616 CONECT 1613 1612 1614 1615 CONECT 1614 1605 1609 1613 CONECT 1615 1613 CONECT 1616 1612 CONECT 1617 1611 CONECT 1618 1610 CONECT 1619 1608 CONECT 1620 1607 CONECT 1621 1606 CONECT 1622 1602 CONECT 1623 1590 MASTER 0 0 0 0 0 0 0 0 1622 1 82 7 END
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Structure:
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Protein
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Related entries of code: 3gt9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1oxn
RCSB PDB
PDBbind
140aa, >1OXN_1|Chains... *
1oxq
RCSB PDB
PDBbind
140aa, >1OXQ_1|Chains... at 100%
1oy7
RCSB PDB
PDBbind
140aa, >1OY7_1|Chains... at 100%
2i3h
RCSB PDB
PDBbind
133aa, >2I3H_1|Chains... at 90%
2i3i
RCSB PDB
PDBbind
133aa, >2I3I_1|Chains... at 90%
3f7g
RCSB PDB
PDBbind
140aa, >3F7G_1|Chains... at 99%
3f7h
RCSB PDB
PDBbind
133aa, >3F7H_1|Chains... at 90%
3f7i
RCSB PDB
PDBbind
133aa, >3F7I_1|Chains... at 90%
3gta
RCSB PDB
PDBbind
133aa, >3GTA_1|Chains... at 90%
3uw5
RCSB PDB
PDBbind
116aa, >3UW5_1|Chains... at 90%
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
3gt9
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ML-IAP/XIAP chimera
Ligand Name
516
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=0.11mM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 2229-2233
Ligand Properties
Formula
C
2
9
H
3
7
N
4
O
2
S
Molecular Weight
505.695
Exact Mass
505.264
No. of atoms
73
No. of bonds
77
Polar Surface Area
107.15
LOGP Value
5.47 (
Computed with XLOGP3
)
4.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
C[NH2+][C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1scc(n1)c1cccc2c1cccc2)C1CCCCC1)C
InChI String
InChI=1S/C29H36N4O2S/c1-19(30-2)27(34)32-26(21-11-4-3-5-12-21)29(35)33-17-9-16-25(33)28-31-24(18-36-28)23-15-8-13-20-10-6-7-14-22(20)23/h6-8,10,13-15,18-19,21,25-26,30H,3-5,9,11-12,16-17H2,1-2H3,(H,32,34)/p+1/t19-,25-,26-/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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