Browse entries in the PDBbind-CN Database
HEADER 1IWQ_COMPLEX COMPND 1IWQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 73 LEU THR GLU GLU GLN ILE ALA GLU PHE LYS GLU ALA PHE SEQRES 2 A 73 SER LEU PHE ASP LYS ASP GLY ASP GLY THR ILE THR THR SEQRES 3 A 73 LYS GLU LEU GLY THR VAL MET ARG SER LEU GLY GLN ASN SEQRES 4 A 73 PRO THR GLU ALA GLU LEU GLN ASP MET ILE ASN GLU VAL SEQRES 5 A 73 ASP ALA ASP GLY ASN GLY THR ILE ASP PHE PRO GLU PHE SEQRES 6 A 73 LEU THR MET MET ALA ARG LYS MET SEQRES 1 A 66 SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL PHE ASP SEQRES 2 A 66 LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU LEU ARG SEQRES 3 A 66 HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR ASP GLU SEQRES 4 A 66 GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE ASP GLY SEQRES 5 A 66 ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN MET MET SEQRES 6 A 66 THR HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET LYS A 230 292 ATOM 1 N LEU A 4 2.352 41.258 83.006 1.00 53.90 N ATOM 2 CA LEU A 4 2.865 40.243 84.001 1.00 53.80 C ATOM 3 C LEU A 4 4.345 40.012 83.743 1.00 52.60 C ATOM 4 O LEU A 4 4.723 39.684 82.646 1.00 53.53 O ATOM 5 CB LEU A 4 2.079 38.951 83.921 1.00 53.54 C ATOM 6 CG LEU A 4 2.527 37.881 84.923 1.00 53.76 C ATOM 7 CD1 LEU A 4 2.336 38.323 86.346 1.00 53.42 C ATOM 8 CD2 LEU A 4 1.777 36.575 84.676 1.00 53.58 C ATOM 9 HA LEU A 4 2.733 40.626 85.013 1.00 0.00 H ATOM 10 HB2 LEU A 4 1.029 39.177 84.108 1.00 0.00 H ATOM 11 HB3 LEU A 4 2.189 38.545 82.915 1.00 0.00 H ATOM 12 HG LEU A 4 3.594 37.721 84.769 1.00 0.00 H ATOM 13 HD21 LEU A 4 0.707 36.745 84.791 1.00 0.00 H ATOM 14 HD22 LEU A 4 1.984 36.225 83.665 1.00 0.00 H ATOM 15 HD23 LEU A 4 2.107 35.826 85.396 1.00 0.00 H ATOM 16 HD11 LEU A 4 2.922 39.224 86.527 1.00 0.00 H ATOM 17 HD12 LEU A 4 1.281 38.532 86.522 1.00 0.00 H ATOM 18 HD13 LEU A 4 2.667 37.532 87.018 1.00 0.00 H ATOM 19 HN3 LEU A 4 2.491 40.896 82.041 1.00 0.00 H ATOM 20 HN2 LEU A 4 2.875 42.150 83.122 1.00 0.00 H ATOM 21 HN1 LEU A 4 1.339 41.424 83.173 1.00 0.00 H ATOM 22 N THR A 5 5.182 40.330 84.719 1.00 51.58 N ATOM 23 CA THR A 5 6.616 40.115 84.632 1.00 51.45 C ATOM 24 C THR A 5 7.082 38.772 85.056 1.00 50.22 C ATOM 25 O THR A 5 6.392 38.037 85.771 1.00 50.04 O ATOM 26 CB THR A 5 7.354 41.104 85.539 1.00 51.70 C ATOM 27 OG1 THR A 5 8.761 40.981 85.325 1.00 56.54 O ATOM 28 CG2 THR A 5 7.234 40.673 86.953 1.00 49.74 C ATOM 29 HA THR A 5 6.832 40.241 83.571 1.00 0.00 H ATOM 30 HB THR A 5 6.945 42.094 85.334 1.00 0.00 H ATOM 31 HG1 THR A 5 8.968 41.181 84.378 1.00 0.00 H ATOM 32 HG23 THR A 5 6.188 40.718 87.258 1.00 0.00 H ATOM 33 HG21 THR A 5 7.599 39.651 87.052 1.00 0.00 H ATOM 34 HG22 THR A 5 7.827 41.334 87.585 1.00 0.00 H ATOM 35 H THR A 5 4.795 40.753 85.587 1.00 0.00 H ATOM 36 N GLU A 6 8.320 38.507 84.674 1.00 48.38 N ATOM 37 CA GLU A 6 8.956 37.289 85.016 1.00 47.87 C ATOM 38 C GLU A 6 9.103 37.094 86.516 1.00 47.11 C ATOM 39 O GLU A 6 8.981 35.977 86.964 1.00 45.53 O ATOM 40 CB GLU A 6 10.312 37.141 84.331 1.00 48.22 C ATOM 41 CG GLU A 6 10.836 35.737 84.306 1.00 50.42 C ATOM 42 CD GLU A 6 12.123 35.621 83.528 1.00 50.05 C ATOM 43 OE1 GLU A 6 12.245 36.332 82.510 1.00 48.41 O ATOM 44 OE2 GLU A 6 13.012 34.847 83.938 1.00 50.91 O ATOM 45 HA GLU A 6 8.294 36.505 84.649 1.00 0.00 H ATOM 46 HB2 GLU A 6 10.216 37.489 83.303 1.00 0.00 H ATOM 47 HB3 GLU A 6 11.032 37.766 84.859 1.00 0.00 H ATOM 48 HG2 GLU A 6 11.015 35.411 85.331 1.00 0.00 H ATOM 49 HG3 GLU A 6 10.088 35.091 83.846 1.00 0.00 H ATOM 50 H GLU A 6 8.839 39.210 84.109 1.00 0.00 H ATOM 51 N GLU A 7 9.385 38.140 87.289 1.00 46.54 N ATOM 52 CA GLU A 7 9.558 37.985 88.732 1.00 46.15 C ATOM 53 C GLU A 7 8.225 37.738 89.399 1.00 44.92 C ATOM 54 O GLU A 7 8.125 37.030 90.381 1.00 45.08 O ATOM 55 CB GLU A 7 10.246 39.240 89.346 1.00 47.42 C ATOM 56 HA GLU A 7 10.202 37.123 88.907 1.00 0.00 H ATOM 57 HB2 GLU A 7 11.225 39.377 88.887 1.00 0.00 H ATOM 58 HB3 GLU A 7 9.629 40.119 89.158 1.00 0.00 H ATOM 59 H GLU A 7 9.484 39.082 86.860 1.00 0.00 H ATOM 60 N GLN A 8 7.178 38.361 88.898 1.00 43.96 N ATOM 61 CA GLN A 8 5.869 38.134 89.476 1.00 42.92 C ATOM 62 C GLN A 8 5.436 36.640 89.368 1.00 39.82 C ATOM 63 O GLN A 8 4.838 36.102 90.287 1.00 35.74 O ATOM 64 CB GLN A 8 4.860 39.037 88.774 1.00 43.88 C ATOM 65 CG GLN A 8 4.935 40.499 89.254 1.00 47.70 C ATOM 66 CD GLN A 8 4.155 41.464 88.359 1.00 50.84 C ATOM 67 OE1 GLN A 8 4.016 42.643 88.688 1.00 57.64 O ATOM 68 NE2 GLN A 8 3.674 40.979 87.241 1.00 50.42 N ATOM 69 HA GLN A 8 5.910 38.374 90.539 1.00 0.00 H ATOM 70 HB2 GLN A 8 5.055 39.011 87.702 1.00 0.00 H ATOM 71 HB3 GLN A 8 3.857 38.657 88.968 1.00 0.00 H ATOM 72 HG2 GLN A 8 4.527 40.555 90.263 1.00 0.00 H ATOM 73 HG3 GLN A 8 5.981 40.807 89.268 1.00 0.00 H ATOM 74 HE22 GLN A 8 3.816 39.976 87.005 1.00 0.00 H ATOM 75 HE21 GLN A 8 3.150 41.597 86.589 1.00 0.00 H ATOM 76 H GLN A 8 7.290 39.011 88.094 1.00 0.00 H ATOM 77 N ILE A 9 5.743 36.007 88.223 1.00 37.72 N ATOM 78 CA ILE A 9 5.425 34.593 87.973 1.00 35.97 C ATOM 79 C ILE A 9 6.200 33.732 88.941 1.00 36.03 C ATOM 80 O ILE A 9 5.652 32.762 89.492 1.00 33.41 O ATOM 81 CB ILE A 9 5.781 34.228 86.498 1.00 37.36 C ATOM 82 CG1 ILE A 9 4.831 34.984 85.540 1.00 38.67 C ATOM 83 CG2 ILE A 9 5.744 32.730 86.232 1.00 36.09 C ATOM 84 CD1 ILE A 9 5.339 35.106 84.104 1.00 44.31 C ATOM 85 HA ILE A 9 4.359 34.418 88.122 1.00 0.00 H ATOM 86 HB ILE A 9 6.810 34.539 86.319 1.00 0.00 H ATOM 87 HG12 ILE A 9 3.878 34.456 85.520 1.00 0.00 H ATOM 88 HG13 ILE A 9 4.680 35.989 85.934 1.00 0.00 H ATOM 89 HD11 ILE A 9 6.287 35.644 84.100 1.00 0.00 H ATOM 90 HD12 ILE A 9 5.484 34.110 83.685 1.00 0.00 H ATOM 91 HD13 ILE A 9 4.608 35.650 83.506 1.00 0.00 H ATOM 92 HG21 ILE A 9 6.463 32.229 86.881 1.00 0.00 H ATOM 93 HG22 ILE A 9 4.743 32.351 86.436 1.00 0.00 H ATOM 94 HG23 ILE A 9 6.000 32.541 85.190 1.00 0.00 H ATOM 95 H ILE A 9 6.230 36.544 87.477 1.00 0.00 H ATOM 96 N ALA A 10 7.490 34.061 89.158 1.00 34.21 N ATOM 97 CA ALA A 10 8.290 33.245 90.062 1.00 34.75 C ATOM 98 C ALA A 10 7.722 33.350 91.499 1.00 34.50 C ATOM 99 O ALA A 10 7.766 32.380 92.289 1.00 32.91 O ATOM 100 CB ALA A 10 9.767 33.643 90.033 1.00 35.88 C ATOM 101 HA ALA A 10 8.232 32.210 89.726 1.00 0.00 H ATOM 102 HB1 ALA A 10 10.156 33.516 89.023 1.00 0.00 H ATOM 103 HB2 ALA A 10 9.867 34.686 90.334 1.00 0.00 H ATOM 104 HB3 ALA A 10 10.326 33.009 90.721 1.00 0.00 H ATOM 105 H ALA A 10 7.909 34.887 88.686 1.00 0.00 H ATOM 106 N GLU A 11 7.157 34.514 91.828 1.00 35.74 N ATOM 107 CA GLU A 11 6.527 34.644 93.155 1.00 36.54 C ATOM 108 C GLU A 11 5.273 33.798 93.245 1.00 35.58 C ATOM 109 O GLU A 11 5.000 33.172 94.260 1.00 35.33 O ATOM 110 CB GLU A 11 6.180 36.090 93.483 1.00 36.07 C ATOM 111 CG GLU A 11 7.363 37.015 93.351 1.00 41.58 C ATOM 112 CD GLU A 11 6.999 38.467 93.637 1.00 47.44 C ATOM 113 OE1 GLU A 11 5.910 38.941 93.205 1.00 46.44 O ATOM 114 OE2 GLU A 11 7.830 39.117 94.295 1.00 49.92 O ATOM 115 HA GLU A 11 7.258 34.291 93.882 1.00 0.00 H ATOM 116 HB2 GLU A 11 5.397 36.424 92.802 1.00 0.00 H ATOM 117 HB3 GLU A 11 5.812 36.137 94.508 1.00 0.00 H ATOM 118 HG2 GLU A 11 8.133 36.701 94.056 1.00 0.00 H ATOM 119 HG3 GLU A 11 7.751 36.945 92.335 1.00 0.00 H ATOM 120 H GLU A 11 7.161 35.313 91.162 1.00 0.00 H ATOM 121 N PHE A 12 4.474 33.816 92.199 1.00 35.89 N ATOM 122 CA PHE A 12 3.244 33.005 92.242 1.00 36.24 C ATOM 123 C PHE A 12 3.606 31.565 92.340 1.00 35.68 C ATOM 124 O PHE A 12 2.950 30.798 93.080 1.00 36.00 O ATOM 125 CB PHE A 12 2.368 33.247 91.000 1.00 36.46 C ATOM 126 CG PHE A 12 1.544 34.487 91.090 1.00 35.72 C ATOM 127 CD1 PHE A 12 1.747 35.545 90.235 1.00 36.30 C ATOM 128 CD2 PHE A 12 0.528 34.581 92.018 1.00 40.42 C ATOM 129 CE1 PHE A 12 0.942 36.683 90.295 1.00 40.16 C ATOM 130 CE2 PHE A 12 -0.269 35.737 92.085 1.00 39.93 C ATOM 131 CZ PHE A 12 -0.055 36.771 91.206 1.00 39.83 C ATOM 132 HA PHE A 12 2.666 33.301 93.118 1.00 0.00 H ATOM 133 HB2 PHE A 12 3.018 33.326 90.128 1.00 0.00 H ATOM 134 HB3 PHE A 12 1.699 32.395 90.877 1.00 0.00 H ATOM 135 HD2 PHE A 12 0.342 33.754 92.703 1.00 0.00 H ATOM 136 HE2 PHE A 12 -1.057 35.813 92.834 1.00 0.00 H ATOM 137 HZ PHE A 12 -0.686 37.659 91.242 1.00 0.00 H ATOM 138 HE1 PHE A 12 1.117 37.507 89.603 1.00 0.00 H ATOM 139 HD1 PHE A 12 2.549 35.494 89.499 1.00 0.00 H ATOM 140 H PHE A 12 4.705 34.389 91.362 1.00 0.00 H ATOM 141 N LYS A 13 4.688 31.194 91.643 1.00 35.08 N ATOM 142 CA LYS A 13 5.145 29.801 91.578 1.00 35.33 C ATOM 143 C LYS A 13 5.578 29.303 92.962 1.00 36.04 C ATOM 144 O LYS A 13 5.324 28.162 93.381 1.00 33.07 O ATOM 145 CB LYS A 13 6.299 29.689 90.554 1.00 36.03 C ATOM 146 CG LYS A 13 6.632 28.301 90.076 1.00 36.08 C ATOM 147 CD LYS A 13 7.683 28.295 88.965 1.00 39.77 C ATOM 148 CE LYS A 13 8.015 26.850 88.518 1.00 41.50 C ATOM 149 NZ LYS A 13 9.142 26.749 87.554 1.00 40.27 N ATOM 150 HA LYS A 13 4.321 29.167 91.251 1.00 0.00 H ATOM 151 HB2 LYS A 13 6.029 30.285 89.682 1.00 0.00 H ATOM 152 HB3 LYS A 13 7.194 30.106 91.015 1.00 0.00 H ATOM 153 HG2 LYS A 13 7.012 27.724 90.919 1.00 0.00 H ATOM 154 HG3 LYS A 13 5.722 27.834 89.698 1.00 0.00 H ATOM 155 HD2 LYS A 13 7.301 28.853 88.110 1.00 0.00 H ATOM 156 HD3 LYS A 13 8.592 28.772 89.332 1.00 0.00 H ATOM 157 HE2 LYS A 13 7.127 26.425 88.050 1.00 0.00 H ATOM 158 HE3 LYS A 13 8.271 26.269 89.404 1.00 0.00 H ATOM 159 HZ1 LYS A 13 8.911 27.287 86.695 1.00 0.00 H ATOM 160 HZ2 LYS A 13 10.003 27.139 87.988 1.00 0.00 H ATOM 161 HZ3 LYS A 13 9.297 25.751 87.308 1.00 0.00 H ATOM 162 H LYS A 13 5.225 31.921 91.128 1.00 0.00 H ATOM 163 N GLU A 14 6.272 30.163 93.678 1.00 36.90 N ATOM 164 CA GLU A 14 6.670 29.852 95.044 1.00 37.04 C ATOM 165 C GLU A 14 5.400 29.856 95.955 1.00 36.09 C ATOM 166 O GLU A 14 5.235 28.979 96.785 1.00 38.36 O ATOM 167 CB GLU A 14 7.699 30.924 95.494 1.00 38.52 C ATOM 168 CG GLU A 14 8.131 30.916 96.948 1.00 41.56 C ATOM 169 CD GLU A 14 8.800 29.619 97.421 1.00 46.03 C ATOM 170 OE1 GLU A 14 9.396 28.864 96.593 1.00 45.76 O ATOM 171 OE2 GLU A 14 8.698 29.368 98.658 1.00 51.43 O ATOM 172 HA GLU A 14 7.130 28.866 95.115 1.00 0.00 H ATOM 173 HB2 GLU A 14 8.594 30.792 94.887 1.00 0.00 H ATOM 174 HB3 GLU A 14 7.263 31.902 95.288 1.00 0.00 H ATOM 175 HG2 GLU A 14 8.837 31.734 97.095 1.00 0.00 H ATOM 176 HG3 GLU A 14 7.248 31.085 97.564 1.00 0.00 H ATOM 177 H GLU A 14 6.540 31.078 93.262 1.00 0.00 H ATOM 178 N ALA A 15 4.506 30.807 95.784 1.00 35.55 N ATOM 179 CA ALA A 15 3.294 30.825 96.599 1.00 35.54 C ATOM 180 C ALA A 15 2.536 29.523 96.411 1.00 35.58 C ATOM 181 O ALA A 15 2.036 28.943 97.402 1.00 37.19 O ATOM 182 CB ALA A 15 2.446 32.002 96.276 1.00 34.86 C ATOM 183 HA ALA A 15 3.574 30.916 97.648 1.00 0.00 H ATOM 184 HB1 ALA A 15 3.008 32.916 96.467 1.00 0.00 H ATOM 185 HB2 ALA A 15 2.158 31.964 95.225 1.00 0.00 H ATOM 186 HB3 ALA A 15 1.552 31.986 96.899 1.00 0.00 H ATOM 187 H ALA A 15 4.663 31.545 95.069 1.00 0.00 H ATOM 188 N PHE A 16 2.527 28.993 95.171 1.00 34.92 N ATOM 189 CA PHE A 16 1.857 27.736 94.847 1.00 33.55 C ATOM 190 C PHE A 16 2.510 26.569 95.491 1.00 34.64 C ATOM 191 O PHE A 16 1.829 25.690 96.112 1.00 32.20 O ATOM 192 CB PHE A 16 1.781 27.500 93.315 1.00 35.02 C ATOM 193 CG PHE A 16 0.948 26.295 92.913 1.00 32.91 C ATOM 194 CD1 PHE A 16 -0.383 26.428 92.661 1.00 34.12 C ATOM 195 CD2 PHE A 16 1.519 25.064 92.760 1.00 32.13 C ATOM 196 CE1 PHE A 16 -1.155 25.362 92.276 1.00 34.11 C ATOM 197 CE2 PHE A 16 0.712 23.926 92.366 1.00 34.45 C ATOM 198 CZ PHE A 16 -0.627 24.119 92.107 1.00 30.06 C ATOM 199 HA PHE A 16 0.845 27.829 95.242 1.00 0.00 H ATOM 200 HB2 PHE A 16 1.346 28.386 92.853 1.00 0.00 H ATOM 201 HB3 PHE A 16 2.794 27.356 92.940 1.00 0.00 H ATOM 202 HD2 PHE A 16 2.587 24.936 92.935 1.00 0.00 H ATOM 203 HE2 PHE A 16 1.157 22.935 92.276 1.00 0.00 H ATOM 204 HZ PHE A 16 -1.252 23.291 91.773 1.00 0.00 H ATOM 205 HE1 PHE A 16 -2.220 25.514 92.101 1.00 0.00 H ATOM 206 HD1 PHE A 16 -0.848 27.408 92.768 1.00 0.00 H ATOM 207 H PHE A 16 3.020 29.503 94.410 1.00 0.00 H ATOM 208 N SER A 17 3.839 26.543 95.383 1.00 34.71 N ATOM 209 CA SER A 17 4.640 25.497 96.016 1.00 37.02 C ATOM 210 C SER A 17 4.464 25.405 97.558 1.00 36.40 C ATOM 211 O SER A 17 4.530 24.330 98.118 1.00 37.15 O ATOM 212 CB SER A 17 6.114 25.731 95.669 1.00 37.88 C ATOM 213 OG SER A 17 6.944 24.811 96.308 1.00 42.99 O ATOM 214 HA SER A 17 4.286 24.543 95.624 1.00 0.00 H ATOM 215 HB2 SER A 17 6.395 26.737 95.980 1.00 0.00 H ATOM 216 HB3 SER A 17 6.243 25.635 94.591 1.00 0.00 H ATOM 217 HG SER A 17 6.836 24.896 97.288 1.00 0.00 H ATOM 218 H SER A 17 4.318 27.286 94.835 1.00 0.00 H ATOM 219 N LEU A 18 4.235 26.523 98.225 1.00 37.45 N ATOM 220 CA LEU A 18 4.025 26.521 99.663 1.00 38.06 C ATOM 221 C LEU A 18 2.773 25.699 100.015 1.00 37.04 C ATOM 222 O LEU A 18 2.774 24.962 101.000 1.00 37.74 O ATOM 223 CB LEU A 18 3.923 27.929 100.168 1.00 39.34 C ATOM 224 CG LEU A 18 3.673 28.230 101.635 1.00 44.50 C ATOM 225 CD1 LEU A 18 4.439 27.276 102.468 1.00 50.54 C ATOM 226 CD2 LEU A 18 4.124 29.661 101.959 1.00 48.58 C ATOM 227 HA LEU A 18 4.878 26.051 100.153 1.00 0.00 H ATOM 228 HB2 LEU A 18 4.863 28.417 99.909 1.00 0.00 H ATOM 229 HB3 LEU A 18 3.108 28.396 99.615 1.00 0.00 H ATOM 230 HG LEU A 18 2.608 28.132 101.845 1.00 0.00 H ATOM 231 HD21 LEU A 18 5.188 29.762 101.747 1.00 0.00 H ATOM 232 HD22 LEU A 18 3.562 30.365 101.346 1.00 0.00 H ATOM 233 HD23 LEU A 18 3.941 29.868 103.013 1.00 0.00 H ATOM 234 HD11 LEU A 18 4.116 26.259 102.244 1.00 0.00 H ATOM 235 HD12 LEU A 18 5.502 27.378 102.250 1.00 0.00 H ATOM 236 HD13 LEU A 18 4.260 27.491 103.522 1.00 0.00 H ATOM 237 H LEU A 18 4.204 27.425 97.709 1.00 0.00 H ATOM 238 N PHE A 19 1.725 25.817 99.218 1.00 35.73 N ATOM 239 CA PHE A 19 0.513 25.009 99.409 1.00 35.52 C ATOM 240 C PHE A 19 0.663 23.594 98.928 1.00 36.85 C ATOM 241 O PHE A 19 0.213 22.637 99.593 1.00 36.39 O ATOM 242 CB PHE A 19 -0.677 25.623 98.693 1.00 34.19 C ATOM 243 CG PHE A 19 -1.175 26.878 99.327 1.00 35.19 C ATOM 244 CD1 PHE A 19 -0.736 28.114 98.927 1.00 35.00 C ATOM 245 CD2 PHE A 19 -2.061 26.829 100.384 1.00 35.13 C ATOM 246 CE1 PHE A 19 -1.213 29.264 99.514 1.00 35.23 C ATOM 247 CE2 PHE A 19 -2.521 27.981 100.972 1.00 36.85 C ATOM 248 CZ PHE A 19 -2.106 29.191 100.566 1.00 34.67 C ATOM 249 HA PHE A 19 0.348 24.995 100.486 1.00 0.00 H ATOM 250 HB2 PHE A 19 -0.384 25.848 97.668 1.00 0.00 H ATOM 251 HB3 PHE A 19 -1.488 24.895 98.686 1.00 0.00 H ATOM 252 HD2 PHE A 19 -2.400 25.863 100.757 1.00 0.00 H ATOM 253 HE2 PHE A 19 -3.240 27.911 101.788 1.00 0.00 H ATOM 254 HZ PHE A 19 -2.465 30.096 101.055 1.00 0.00 H ATOM 255 HE1 PHE A 19 -0.885 30.237 99.147 1.00 0.00 H ATOM 256 HD1 PHE A 19 0.004 28.187 98.130 1.00 0.00 H ATOM 257 H PHE A 19 1.759 26.500 98.435 1.00 0.00 H ATOM 258 N ASP A 20 1.295 23.420 97.781 1.00 37.63 N ATOM 259 CA ASP A 20 1.378 22.111 97.189 1.00 40.02 C ATOM 260 C ASP A 20 2.477 21.302 97.841 1.00 42.66 C ATOM 261 O ASP A 20 3.509 21.064 97.206 1.00 42.76 O ATOM 262 CB ASP A 20 1.665 22.229 95.711 1.00 41.02 C ATOM 263 CG ASP A 20 1.689 20.912 95.017 1.00 40.68 C ATOM 264 OD1 ASP A 20 1.240 19.883 95.573 1.00 42.72 O ATOM 265 OD2 ASP A 20 2.165 20.831 93.898 1.00 44.17 O ATOM 266 HA ASP A 20 0.423 21.608 97.340 1.00 0.00 H ATOM 267 HB2 ASP A 20 0.893 22.848 95.255 1.00 0.00 H ATOM 268 HB3 ASP A 20 2.636 22.708 95.582 1.00 0.00 H ATOM 269 H ASP A 20 1.735 24.233 97.304 1.00 0.00 H ATOM 270 N LYS A 21 2.240 20.871 99.094 1.00 44.90 N ATOM 271 CA LYS A 21 3.238 20.123 99.901 1.00 46.46 C ATOM 272 C LYS A 21 3.835 18.909 99.204 1.00 47.42 C ATOM 273 O LYS A 21 5.027 18.694 99.274 1.00 47.41 O ATOM 274 CB LYS A 21 2.641 19.629 101.241 1.00 47.59 C ATOM 275 CG LYS A 21 1.985 20.680 102.115 1.00 47.98 C ATOM 276 CD LYS A 21 3.017 21.702 102.550 1.00 49.45 C ATOM 277 CE LYS A 21 2.389 22.728 103.459 1.00 47.69 C ATOM 278 NZ LYS A 21 3.286 23.813 103.846 1.00 46.68 N ATOM 279 HA LYS A 21 4.031 20.854 100.063 1.00 0.00 H ATOM 280 HB2 LYS A 21 1.890 18.873 101.011 1.00 0.00 H ATOM 281 HB3 LYS A 21 3.448 19.175 101.817 1.00 0.00 H ATOM 282 HG2 LYS A 21 1.196 21.179 101.552 1.00 0.00 H ATOM 283 HG3 LYS A 21 1.555 20.202 102.995 1.00 0.00 H ATOM 284 HD2 LYS A 21 3.823 21.196 103.082 1.00 0.00 H ATOM 285 HD3 LYS A 21 3.422 22.201 101.670 1.00 0.00 H ATOM 286 HE2 LYS A 21 2.052 22.223 104.364 1.00 0.00 H ATOM 287 HE3 LYS A 21 1.530 23.161 102.945 1.00 0.00 H ATOM 288 HZ1 LYS A 21 4.107 23.420 104.349 1.00 0.00 H ATOM 289 HZ2 LYS A 21 3.608 24.315 102.994 1.00 0.00 H ATOM 290 HZ3 LYS A 21 2.780 24.474 104.469 1.00 0.00 H ATOM 291 H LYS A 21 1.312 21.072 99.518 1.00 0.00 H ATOM 292 N ASP A 22 3.025 18.097 98.539 1.00 47.93 N ATOM 293 CA ASP A 22 3.567 16.896 97.904 1.00 48.22 C ATOM 294 C ASP A 22 4.059 17.147 96.510 1.00 49.03 C ATOM 295 O ASP A 22 4.464 16.201 95.834 1.00 49.28 O ATOM 296 CB ASP A 22 2.527 15.790 97.878 1.00 48.07 C ATOM 297 CG ASP A 22 1.316 16.158 97.062 1.00 46.58 C ATOM 298 OD1 ASP A 22 1.402 17.140 96.290 1.00 41.95 O ATOM 299 OD2 ASP A 22 0.252 15.519 97.109 1.00 42.04 O ATOM 300 HA ASP A 22 4.422 16.590 98.507 1.00 0.00 H ATOM 301 HB2 ASP A 22 2.979 14.895 97.450 1.00 0.00 H ATOM 302 HB3 ASP A 22 2.211 15.583 98.900 1.00 0.00 H ATOM 303 H ASP A 22 2.010 18.313 98.469 1.00 0.00 H ATOM 304 N GLY A 23 3.963 18.408 96.074 1.00 49.66 N ATOM 305 CA GLY A 23 4.425 18.848 94.758 1.00 49.58 C ATOM 306 C GLY A 23 3.844 18.079 93.587 1.00 49.29 C ATOM 307 O GLY A 23 4.540 17.829 92.632 1.00 50.35 O ATOM 308 HA3 GLY A 23 5.510 18.744 94.727 1.00 0.00 H ATOM 309 HA2 GLY A 23 4.159 19.898 94.639 1.00 0.00 H ATOM 310 H GLY A 23 3.536 19.115 96.706 1.00 0.00 H ATOM 311 N ASP A 24 2.562 17.731 93.644 1.00 47.99 N ATOM 312 CA ASP A 24 1.949 16.940 92.585 1.00 46.10 C ATOM 313 C ASP A 24 1.276 17.841 91.527 1.00 44.57 C ATOM 314 O ASP A 24 0.636 17.386 90.615 1.00 44.92 O ATOM 315 CB ASP A 24 1.009 15.895 93.199 1.00 45.71 C ATOM 316 CG ASP A 24 -0.333 16.442 93.583 1.00 45.04 C ATOM 317 OD1 ASP A 24 -0.453 17.661 93.791 1.00 43.23 O ATOM 318 OD2 ASP A 24 -1.351 15.699 93.637 1.00 43.79 O ATOM 319 HA ASP A 24 2.720 16.393 92.042 1.00 0.00 H ATOM 320 HB2 ASP A 24 0.860 15.097 92.472 1.00 0.00 H ATOM 321 HB3 ASP A 24 1.483 15.488 94.092 1.00 0.00 H ATOM 322 H ASP A 24 1.987 18.028 94.458 1.00 0.00 H ATOM 323 N GLY A 25 1.471 19.143 91.650 1.00 42.73 N ATOM 324 CA GLY A 25 0.897 20.056 90.715 1.00 40.96 C ATOM 325 C GLY A 25 -0.497 20.502 91.043 1.00 39.97 C ATOM 326 O GLY A 25 -1.049 21.289 90.327 1.00 37.81 O ATOM 327 HA3 GLY A 25 0.877 19.573 89.738 1.00 0.00 H ATOM 328 HA2 GLY A 25 1.534 20.940 90.669 1.00 0.00 H ATOM 329 H GLY A 25 2.048 19.505 92.436 1.00 0.00 H ATOM 330 N THR A 26 -1.093 20.021 92.136 1.00 38.73 N ATOM 331 CA THR A 26 -2.412 20.526 92.492 1.00 37.42 C ATOM 332 C THR A 26 -2.481 20.798 94.016 1.00 35.59 C ATOM 333 O THR A 26 -1.735 20.231 94.790 1.00 35.99 O ATOM 334 CB THR A 26 -3.480 19.514 92.149 1.00 37.44 C ATOM 335 OG1 THR A 26 -3.275 18.388 92.982 1.00 38.77 O ATOM 336 CG2 THR A 26 -3.309 18.944 90.734 1.00 40.18 C ATOM 337 HA THR A 26 -2.581 21.446 91.932 1.00 0.00 H ATOM 338 HB THR A 26 -4.444 20.011 92.255 1.00 0.00 H ATOM 339 HG1 THR A 26 -2.374 18.014 92.814 1.00 0.00 H ATOM 340 HG23 THR A 26 -3.449 19.741 90.003 1.00 0.00 H ATOM 341 HG21 THR A 26 -2.308 18.526 90.631 1.00 0.00 H ATOM 342 HG22 THR A 26 -4.050 18.162 90.567 1.00 0.00 H ATOM 343 H THR A 26 -0.625 19.300 92.722 1.00 0.00 H ATOM 344 N ILE A 27 -3.383 21.661 94.413 1.00 33.47 N ATOM 345 CA ILE A 27 -3.609 21.987 95.804 1.00 32.98 C ATOM 346 C ILE A 27 -4.941 21.405 96.228 1.00 32.48 C ATOM 347 O ILE A 27 -5.978 21.762 95.666 1.00 32.07 O ATOM 348 CB ILE A 27 -3.657 23.473 96.018 1.00 32.38 C ATOM 349 CG1 ILE A 27 -2.402 24.170 95.512 1.00 34.36 C ATOM 350 CG2 ILE A 27 -3.964 23.801 97.486 1.00 31.75 C ATOM 351 CD1 ILE A 27 -1.241 23.677 96.131 1.00 43.22 C ATOM 352 HA ILE A 27 -2.788 21.574 96.390 1.00 0.00 H ATOM 353 HB ILE A 27 -4.476 23.869 95.418 1.00 0.00 H ATOM 354 HG12 ILE A 27 -2.321 24.013 94.436 1.00 0.00 H ATOM 355 HG13 ILE A 27 -2.485 25.237 95.717 1.00 0.00 H ATOM 356 HD11 ILE A 27 -1.309 23.836 97.207 1.00 0.00 H ATOM 357 HD12 ILE A 27 -1.146 22.611 95.925 1.00 0.00 H ATOM 358 HD13 ILE A 27 -0.371 24.203 95.739 1.00 0.00 H ATOM 359 HG21 ILE A 27 -4.929 23.374 97.758 1.00 0.00 H ATOM 360 HG22 ILE A 27 -3.186 23.378 98.122 1.00 0.00 H ATOM 361 HG23 ILE A 27 -3.994 24.883 97.617 1.00 0.00 H ATOM 362 H ILE A 27 -3.965 22.135 93.693 1.00 0.00 H ATOM 363 N THR A 28 -4.920 20.501 97.199 1.00 31.53 N ATOM 364 CA THR A 28 -6.144 19.911 97.699 1.00 31.08 C ATOM 365 C THR A 28 -6.680 20.585 98.933 1.00 30.12 C ATOM 366 O THR A 28 -6.026 21.412 99.575 1.00 29.12 O ATOM 367 CB THR A 28 -5.906 18.452 98.118 1.00 31.70 C ATOM 368 OG1 THR A 28 -5.024 18.451 99.264 1.00 31.27 O ATOM 369 CG2 THR A 28 -5.263 17.656 97.007 1.00 32.13 C ATOM 370 HA THR A 28 -6.852 20.015 96.877 1.00 0.00 H ATOM 371 HB THR A 28 -6.866 17.992 98.353 1.00 0.00 H ATOM 372 HG1 THR A 28 -4.858 17.518 99.550 1.00 0.00 H ATOM 373 HG23 THR A 28 -5.921 17.651 96.138 1.00 0.00 H ATOM 374 HG21 THR A 28 -4.310 18.112 96.740 1.00 0.00 H ATOM 375 HG22 THR A 28 -5.096 16.633 97.344 1.00 0.00 H ATOM 376 H THR A 28 -4.009 20.211 97.608 1.00 0.00 H ATOM 377 N THR A 29 -7.901 20.261 99.281 1.00 29.35 N ATOM 378 CA THR A 29 -8.465 20.813 100.501 1.00 28.51 C ATOM 379 C THR A 29 -7.587 20.464 101.698 1.00 27.04 C ATOM 380 O THR A 29 -7.461 21.238 102.620 1.00 27.05 O ATOM 381 CB THR A 29 -9.851 20.258 100.812 1.00 29.64 C ATOM 382 OG1 THR A 29 -9.766 18.838 100.818 1.00 29.50 O ATOM 383 CG2 THR A 29 -10.868 20.644 99.790 1.00 31.52 C ATOM 384 HA THR A 29 -8.526 21.889 100.336 1.00 0.00 H ATOM 385 HB THR A 29 -10.163 20.666 101.773 1.00 0.00 H ATOM 386 HG1 THR A 29 -9.463 18.523 99.930 1.00 0.00 H ATOM 387 HG23 THR A 29 -10.957 21.730 99.760 1.00 0.00 H ATOM 388 HG21 THR A 29 -10.556 20.277 98.812 1.00 0.00 H ATOM 389 HG22 THR A 29 -11.831 20.206 100.054 1.00 0.00 H ATOM 390 H THR A 29 -8.461 19.615 98.689 1.00 0.00 H ATOM 391 N LYS A 30 -6.954 19.315 101.671 1.00 28.08 N ATOM 392 CA LYS A 30 -6.057 18.920 102.715 1.00 28.73 C ATOM 393 C LYS A 30 -4.841 19.844 102.837 1.00 29.52 C ATOM 394 O LYS A 30 -4.482 20.219 103.957 1.00 26.40 O ATOM 395 CB LYS A 30 -5.570 17.488 102.513 1.00 30.22 C ATOM 396 CG LYS A 30 -6.625 16.444 102.844 1.00 32.45 C ATOM 397 CD LYS A 30 -6.122 15.002 102.549 1.00 37.16 C ATOM 398 CE LYS A 30 -6.362 14.567 101.130 1.00 36.66 C ATOM 399 NZ LYS A 30 -7.747 14.371 100.698 1.00 37.22 N ATOM 400 HA LYS A 30 -6.632 18.990 103.639 1.00 0.00 H ATOM 401 HB2 LYS A 30 -5.276 17.366 101.471 1.00 0.00 H ATOM 402 HB3 LYS A 30 -4.705 17.322 103.155 1.00 0.00 H ATOM 403 HG2 LYS A 30 -6.878 16.520 103.901 1.00 0.00 H ATOM 404 HG3 LYS A 30 -7.514 16.638 102.244 1.00 0.00 H ATOM 405 HD2 LYS A 30 -5.051 14.962 102.747 1.00 0.00 H ATOM 406 HD3 LYS A 30 -6.640 14.312 103.215 1.00 0.00 H ATOM 407 HE2 LYS A 30 -5.840 13.621 100.988 1.00 0.00 H ATOM 408 HE3 LYS A 30 -5.923 15.324 100.480 1.00 0.00 H ATOM 409 HZ1 LYS A 30 -8.192 13.637 101.286 1.00 0.00 H ATOM 410 HZ2 LYS A 30 -8.271 15.264 100.801 1.00 0.00 H ATOM 411 HZ3 LYS A 30 -7.759 14.073 99.702 1.00 0.00 H ATOM 412 H LYS A 30 -7.108 18.672 100.868 1.00 0.00 H ATOM 413 N GLU A 31 -4.213 20.161 101.693 1.00 28.75 N ATOM 414 CA GLU A 31 -3.059 21.014 101.661 1.00 29.01 C ATOM 415 C GLU A 31 -3.431 22.452 102.122 1.00 28.59 C ATOM 416 O GLU A 31 -2.671 23.100 102.848 1.00 28.01 O ATOM 417 CB GLU A 31 -2.442 20.966 100.264 1.00 28.05 C ATOM 418 CG GLU A 31 -1.673 19.654 100.046 1.00 32.25 C ATOM 419 CD GLU A 31 -1.253 19.403 98.597 1.00 29.57 C ATOM 420 OE1 GLU A 31 -2.014 19.783 97.685 1.00 31.67 O ATOM 421 OE2 GLU A 31 -0.134 18.835 98.417 1.00 31.25 O ATOM 422 HA GLU A 31 -2.304 20.661 102.364 1.00 0.00 H ATOM 423 HB2 GLU A 31 -3.236 21.042 99.521 1.00 0.00 H ATOM 424 HB3 GLU A 31 -1.756 21.805 100.148 1.00 0.00 H ATOM 425 HG2 GLU A 31 -0.775 19.678 100.663 1.00 0.00 H ATOM 426 HG3 GLU A 31 -2.309 18.828 100.365 1.00 0.00 H ATOM 427 H GLU A 31 -4.576 19.775 100.798 1.00 0.00 H ATOM 428 N LEU A 32 -4.590 22.918 101.693 1.00 28.71 N ATOM 429 CA LEU A 32 -5.112 24.189 102.088 1.00 28.85 C ATOM 430 C LEU A 32 -5.297 24.190 103.620 1.00 29.43 C ATOM 431 O LEU A 32 -4.884 25.122 104.308 1.00 28.97 O ATOM 432 CB LEU A 32 -6.443 24.456 101.402 1.00 29.74 C ATOM 433 CG LEU A 32 -6.420 24.892 99.937 1.00 35.72 C ATOM 434 CD1 LEU A 32 -7.858 25.003 99.451 1.00 35.28 C ATOM 435 CD2 LEU A 32 -5.706 26.284 99.791 1.00 38.40 C ATOM 436 HA LEU A 32 -4.417 24.976 101.795 1.00 0.00 H ATOM 437 HB2 LEU A 32 -7.027 23.537 101.458 1.00 0.00 H ATOM 438 HB3 LEU A 32 -6.947 25.241 101.966 1.00 0.00 H ATOM 439 HG LEU A 32 -5.871 24.160 99.344 1.00 0.00 H ATOM 440 HD21 LEU A 32 -6.244 27.030 100.376 1.00 0.00 H ATOM 441 HD22 LEU A 32 -4.682 26.205 100.155 1.00 0.00 H ATOM 442 HD23 LEU A 32 -5.699 26.579 98.742 1.00 0.00 H ATOM 443 HD11 LEU A 32 -8.348 24.034 99.546 1.00 0.00 H ATOM 444 HD12 LEU A 32 -8.388 25.741 100.054 1.00 0.00 H ATOM 445 HD13 LEU A 32 -7.864 25.313 98.406 1.00 0.00 H ATOM 446 H LEU A 32 -5.148 22.334 101.038 1.00 0.00 H ATOM 447 N GLY A 33 -5.933 23.160 104.158 1.00 27.34 N ATOM 448 CA GLY A 33 -6.100 23.123 105.632 1.00 28.17 C ATOM 449 C GLY A 33 -4.807 23.125 106.447 1.00 27.11 C ATOM 450 O GLY A 33 -4.720 23.783 107.481 1.00 27.93 O ATOM 451 HA3 GLY A 33 -6.653 22.218 105.884 1.00 0.00 H ATOM 452 HA2 GLY A 33 -6.682 23.997 105.925 1.00 0.00 H ATOM 453 H GLY A 33 -6.307 22.395 103.561 1.00 0.00 H ATOM 454 N THR A 34 -3.830 22.343 106.010 1.00 26.88 N ATOM 455 CA THR A 34 -2.547 22.271 106.635 1.00 26.49 C ATOM 456 C THR A 34 -1.909 23.677 106.667 1.00 27.44 C ATOM 457 O THR A 34 -1.397 24.098 107.711 1.00 25.78 O ATOM 458 CB THR A 34 -1.733 21.349 105.813 1.00 28.35 C ATOM 459 OG1 THR A 34 -2.178 20.008 106.103 1.00 30.65 O ATOM 460 CG2 THR A 34 -0.315 21.317 106.203 1.00 27.78 C ATOM 461 HA THR A 34 -2.616 21.914 107.663 1.00 0.00 H ATOM 462 HB THR A 34 -1.839 21.681 104.780 1.00 0.00 H ATOM 463 HG1 THR A 34 -3.137 19.923 105.874 1.00 0.00 H ATOM 464 HG23 THR A 34 0.132 22.295 106.024 1.00 0.00 H ATOM 465 HG21 THR A 34 -0.236 21.068 107.261 1.00 0.00 H ATOM 466 HG22 THR A 34 0.206 20.564 105.611 1.00 0.00 H ATOM 467 H THR A 34 -4.006 21.753 105.172 1.00 0.00 H ATOM 468 N VAL A 35 -1.939 24.377 105.518 1.00 26.19 N ATOM 469 CA VAL A 35 -1.360 25.735 105.503 1.00 26.43 C ATOM 470 C VAL A 35 -2.096 26.619 106.431 1.00 27.28 C ATOM 471 O VAL A 35 -1.496 27.291 107.294 1.00 30.25 O ATOM 472 CB VAL A 35 -1.325 26.356 104.115 1.00 28.16 C ATOM 473 CG1 VAL A 35 -0.784 27.837 104.219 1.00 26.96 C ATOM 474 CG2 VAL A 35 -0.454 25.567 103.271 1.00 27.25 C ATOM 475 HA VAL A 35 -0.326 25.632 105.830 1.00 0.00 H ATOM 476 HB VAL A 35 -2.327 26.374 103.685 1.00 0.00 H ATOM 477 HG11 VAL A 35 -1.443 28.419 104.863 1.00 0.00 H ATOM 478 HG12 VAL A 35 0.221 27.826 104.640 1.00 0.00 H ATOM 479 HG13 VAL A 35 -0.758 28.284 103.225 1.00 0.00 H ATOM 480 HG21 VAL A 35 0.550 25.556 103.696 1.00 0.00 H ATOM 481 HG22 VAL A 35 -0.835 24.548 103.210 1.00 0.00 H ATOM 482 HG23 VAL A 35 -0.423 26.005 102.273 1.00 0.00 H ATOM 483 H VAL A 35 -2.361 23.970 104.659 1.00 0.00 H ATOM 484 N MET A 36 -3.416 26.623 106.355 1.00 28.34 N ATOM 485 CA MET A 36 -4.167 27.551 107.197 1.00 30.16 C ATOM 486 C MET A 36 -3.997 27.288 108.697 1.00 30.14 C ATOM 487 O MET A 36 -3.888 28.243 109.537 1.00 30.61 O ATOM 488 CB MET A 36 -5.630 27.641 106.779 1.00 31.15 C ATOM 489 CG MET A 36 -5.782 28.252 105.383 1.00 35.77 C ATOM 490 SD MET A 36 -7.302 27.872 104.607 1.00 41.52 S ATOM 491 CE MET A 36 -8.321 29.008 105.407 1.00 42.17 C ATOM 492 HA MET A 36 -3.727 28.534 107.028 1.00 0.00 H ATOM 493 HB2 MET A 36 -6.059 26.639 106.775 1.00 0.00 H ATOM 494 HB3 MET A 36 -6.166 28.262 107.497 1.00 0.00 H ATOM 495 HG2 MET A 36 -4.973 27.880 104.755 1.00 0.00 H ATOM 496 HG3 MET A 36 -5.703 29.335 105.471 1.00 0.00 H ATOM 497 HE1 MET A 36 -8.306 28.815 106.480 1.00 0.00 H ATOM 498 HE2 MET A 36 -7.960 30.018 105.213 1.00 0.00 H ATOM 499 HE3 MET A 36 -9.340 28.907 105.033 1.00 0.00 H ATOM 500 H MET A 36 -3.911 25.977 105.707 1.00 0.00 H ATOM 501 N ARG A 37 -3.903 26.014 109.045 1.00 28.61 N ATOM 502 CA ARG A 37 -3.677 25.689 110.437 1.00 29.32 C ATOM 503 C ARG A 37 -2.260 26.131 110.842 1.00 29.32 C ATOM 504 O ARG A 37 -2.054 26.568 111.966 1.00 30.69 O ATOM 505 CB ARG A 37 -3.938 24.203 110.679 1.00 28.74 C ATOM 506 CG ARG A 37 -5.419 23.867 110.774 1.00 27.44 C ATOM 507 CD ARG A 37 -5.656 22.421 111.188 1.00 27.06 C ATOM 508 NE ARG A 37 -5.070 21.448 110.293 1.00 27.79 N ATOM 509 CZ ARG A 37 -5.667 20.961 109.214 1.00 28.56 C ATOM 510 NH1 ARG A 37 -6.836 21.414 108.858 1.00 26.70 N ATOM 511 NH2 ARG A 37 -5.053 20.044 108.463 1.00 27.72 N ATOM 512 HA ARG A 37 -4.376 26.231 111.073 1.00 0.00 H ATOM 513 HB2 ARG A 37 -3.505 23.635 109.855 1.00 0.00 H ATOM 514 HB3 ARG A 37 -3.455 23.913 111.612 1.00 0.00 H ATOM 515 HG2 ARG A 37 -5.882 24.524 111.511 1.00 0.00 H ATOM 516 HG3 ARG A 37 -5.880 24.034 109.800 1.00 0.00 H ATOM 517 HD2 ARG A 37 -6.731 22.247 111.227 1.00 0.00 H ATOM 518 HD3 ARG A 37 -5.230 22.274 112.180 1.00 0.00 H ATOM 519 HE ARG A 37 -4.112 21.106 110.511 1.00 0.00 H ATOM 520 HH12 ARG A 37 -7.306 21.033 108.012 1.00 0.00 H ATOM 521 HH11 ARG A 37 -7.299 22.156 109.420 1.00 0.00 H ATOM 522 HH22 ARG A 37 -5.524 19.664 107.617 1.00 0.00 H ATOM 523 HH21 ARG A 37 -4.103 19.709 108.724 1.00 0.00 H ATOM 524 H ARG A 37 -3.990 25.262 108.332 1.00 0.00 H ATOM 525 N SER A 38 -1.284 26.008 109.945 1.00 29.21 N ATOM 526 CA SER A 38 0.069 26.370 110.258 1.00 30.98 C ATOM 527 C SER A 38 0.179 27.912 110.510 1.00 34.33 C ATOM 528 O SER A 38 1.117 28.348 111.193 1.00 34.20 O ATOM 529 CB SER A 38 1.012 25.912 109.173 1.00 31.13 C ATOM 530 OG SER A 38 0.918 26.769 108.014 1.00 36.87 O ATOM 531 HA SER A 38 0.362 25.863 111.177 1.00 0.00 H ATOM 532 HB2 SER A 38 0.757 24.892 108.885 1.00 0.00 H ATOM 533 HB3 SER A 38 2.033 25.936 109.553 1.00 0.00 H ATOM 534 HG SER A 38 -0.007 26.747 107.663 1.00 0.00 H ATOM 535 H SER A 38 -1.507 25.642 108.997 1.00 0.00 H ATOM 536 N LEU A 39 -0.825 28.676 110.020 1.00 34.89 N ATOM 537 CA LEU A 39 -0.923 30.123 110.182 1.00 36.04 C ATOM 538 C LEU A 39 -1.943 30.430 111.267 1.00 37.36 C ATOM 539 O LEU A 39 -2.462 31.517 111.329 1.00 36.41 O ATOM 540 CB LEU A 39 -1.339 30.770 108.902 1.00 35.29 C ATOM 541 CG LEU A 39 -0.345 30.552 107.772 1.00 37.42 C ATOM 542 CD1 LEU A 39 -0.904 30.862 106.436 1.00 40.77 C ATOM 543 CD2 LEU A 39 0.860 31.406 108.007 1.00 39.47 C ATOM 544 HA LEU A 39 0.053 30.517 110.464 1.00 0.00 H ATOM 545 HB2 LEU A 39 -2.302 30.357 108.602 1.00 0.00 H ATOM 546 HB3 LEU A 39 -1.442 31.842 109.072 1.00 0.00 H ATOM 547 HG LEU A 39 -0.087 29.493 107.774 1.00 0.00 H ATOM 548 HD21 LEU A 39 0.561 32.454 108.036 1.00 0.00 H ATOM 549 HD22 LEU A 39 1.319 31.132 108.957 1.00 0.00 H ATOM 550 HD23 LEU A 39 1.575 31.253 107.199 1.00 0.00 H ATOM 551 HD11 LEU A 39 -1.765 30.221 106.246 1.00 0.00 H ATOM 552 HD12 LEU A 39 -1.213 31.907 106.406 1.00 0.00 H ATOM 553 HD13 LEU A 39 -0.143 30.685 105.675 1.00 0.00 H ATOM 554 H LEU A 39 -1.581 28.197 109.490 1.00 0.00 H ATOM 555 N GLY A 40 -2.228 29.436 112.122 1.00 38.07 N ATOM 556 CA GLY A 40 -3.109 29.635 113.248 1.00 37.60 C ATOM 557 C GLY A 40 -4.605 29.698 113.042 1.00 37.92 C ATOM 558 O GLY A 40 -5.332 29.981 113.987 1.00 38.44 O ATOM 559 HA3 GLY A 40 -2.816 30.576 113.713 1.00 0.00 H ATOM 560 HA2 GLY A 40 -2.922 28.815 113.942 1.00 0.00 H ATOM 561 H GLY A 40 -1.804 28.499 111.970 1.00 0.00 H ATOM 562 N GLN A 41 -5.073 29.369 111.846 1.00 38.59 N ATOM 563 CA GLN A 41 -6.462 29.392 111.503 1.00 40.33 C ATOM 564 C GLN A 41 -7.052 28.003 111.625 1.00 40.11 C ATOM 565 O GLN A 41 -6.331 27.054 111.703 1.00 39.23 O ATOM 566 CB GLN A 41 -6.574 29.826 110.050 1.00 41.39 C ATOM 567 CG GLN A 41 -5.792 31.059 109.776 1.00 45.89 C ATOM 568 CD GLN A 41 -6.304 32.223 110.605 1.00 51.92 C ATOM 569 OE1 GLN A 41 -7.481 32.583 110.510 1.00 54.64 O ATOM 570 NE2 GLN A 41 -5.426 32.812 111.417 1.00 56.18 N ATOM 571 HA GLN A 41 -6.994 30.071 112.169 1.00 0.00 H ATOM 572 HB2 GLN A 41 -6.202 29.024 109.413 1.00 0.00 H ATOM 573 HB3 GLN A 41 -7.622 30.015 109.819 1.00 0.00 H ATOM 574 HG2 GLN A 41 -4.745 30.879 110.021 1.00 0.00 H ATOM 575 HG3 GLN A 41 -5.878 31.309 108.719 1.00 0.00 H ATOM 576 HE22 GLN A 41 -4.445 32.469 111.459 1.00 0.00 H ATOM 577 HE21 GLN A 41 -5.722 33.615 112.009 1.00 0.00 H ATOM 578 H GLN A 41 -4.392 29.078 111.116 1.00 0.00 H ATOM 579 N ASN A 42 -8.380 27.880 111.621 1.00 40.66 N ATOM 580 CA ASN A 42 -8.981 26.570 111.661 1.00 40.60 C ATOM 581 C ASN A 42 -10.233 26.420 110.807 1.00 39.51 C ATOM 582 O ASN A 42 -11.351 26.281 111.337 1.00 37.73 O ATOM 583 CB ASN A 42 -9.301 26.171 113.084 1.00 41.63 C ATOM 584 CG ASN A 42 -9.658 24.694 113.190 1.00 47.18 C ATOM 585 OD1 ASN A 42 -8.968 23.828 112.646 1.00 49.74 O ATOM 586 ND2 ASN A 42 -10.765 24.400 113.885 1.00 54.36 N ATOM 587 HA ASN A 42 -8.231 25.906 111.232 1.00 0.00 H ATOM 588 HB2 ASN A 42 -8.432 26.370 113.711 1.00 0.00 H ATOM 589 HB3 ASN A 42 -10.145 26.765 113.436 1.00 0.00 H ATOM 590 HD22 ASN A 42 -11.318 25.161 114.328 1.00 0.00 H ATOM 591 HD21 ASN A 42 -11.071 23.411 113.981 1.00 0.00 H ATOM 592 H ASN A 42 -8.981 28.728 111.589 1.00 0.00 H ATOM 593 N PRO A 43 -10.056 26.383 109.494 1.00 37.95 N ATOM 594 CA PRO A 43 -11.192 26.231 108.601 1.00 37.07 C ATOM 595 C PRO A 43 -11.849 24.826 108.712 1.00 36.72 C ATOM 596 O PRO A 43 -11.178 23.827 108.918 1.00 35.55 O ATOM 597 CB PRO A 43 -10.536 26.336 107.246 1.00 37.78 C ATOM 598 CG PRO A 43 -9.195 25.741 107.476 1.00 39.01 C ATOM 599 CD PRO A 43 -8.785 26.418 108.753 1.00 38.38 C ATOM 600 HA PRO A 43 -11.980 26.955 108.811 1.00 0.00 H ATOM 601 HD3 PRO A 43 -8.002 25.863 109.270 1.00 0.00 H ATOM 602 HD2 PRO A 43 -8.449 27.440 108.577 1.00 0.00 H ATOM 603 HG3 PRO A 43 -8.509 25.976 106.662 1.00 0.00 H ATOM 604 HG2 PRO A 43 -9.254 24.660 107.599 1.00 0.00 H ATOM 605 HB2 PRO A 43 -11.092 25.772 106.497 1.00 0.00 H ATOM 606 HB3 PRO A 43 -10.454 27.376 106.930 1.00 0.00 H ATOM 607 N THR A 44 -13.147 24.760 108.543 1.00 35.05 N ATOM 608 CA THR A 44 -13.848 23.481 108.589 1.00 35.05 C ATOM 609 C THR A 44 -13.778 22.860 107.226 1.00 34.76 C ATOM 610 O THR A 44 -13.390 23.510 106.264 1.00 32.60 O ATOM 611 CB THR A 44 -15.308 23.712 108.895 1.00 35.97 C ATOM 612 OG1 THR A 44 -15.883 24.416 107.781 1.00 35.69 O ATOM 613 CG2 THR A 44 -15.485 24.631 110.110 1.00 37.23 C ATOM 614 HA THR A 44 -13.394 22.846 109.350 1.00 0.00 H ATOM 615 HB THR A 44 -15.775 22.746 109.086 1.00 0.00 H ATOM 616 HG1 THR A 44 -16.843 24.581 107.956 1.00 0.00 H ATOM 617 HG23 THR A 44 -15.065 24.149 110.993 1.00 0.00 H ATOM 618 HG21 THR A 44 -14.968 25.574 109.929 1.00 0.00 H ATOM 619 HG22 THR A 44 -16.546 24.821 110.268 1.00 0.00 H ATOM 620 H THR A 44 -13.686 25.633 108.373 1.00 0.00 H ATOM 621 N GLU A 45 -14.199 21.625 107.122 1.00 34.03 N ATOM 622 CA GLU A 45 -14.106 20.921 105.876 1.00 36.23 C ATOM 623 C GLU A 45 -14.973 21.600 104.800 1.00 37.43 C ATOM 624 O GLU A 45 -14.612 21.698 103.566 1.00 35.45 O ATOM 625 CB GLU A 45 -14.476 19.443 106.102 1.00 36.59 C ATOM 626 CG GLU A 45 -15.925 19.186 106.445 1.00 38.99 C ATOM 627 CD GLU A 45 -16.352 19.870 107.715 1.00 41.60 C ATOM 628 OE1 GLU A 45 -17.164 20.797 107.605 1.00 46.99 O ATOM 629 OE2 GLU A 45 -15.876 19.508 108.824 1.00 41.18 O ATOM 630 HA GLU A 45 -13.082 20.954 105.503 1.00 0.00 H ATOM 631 HB2 GLU A 45 -14.243 18.894 105.190 1.00 0.00 H ATOM 632 HB3 GLU A 45 -13.863 19.063 106.920 1.00 0.00 H ATOM 633 HG2 GLU A 45 -16.547 19.549 105.627 1.00 0.00 H ATOM 634 HG3 GLU A 45 -16.071 18.112 106.561 1.00 0.00 H ATOM 635 H GLU A 45 -14.606 21.149 107.952 1.00 0.00 H ATOM 636 N ALA A 46 -16.112 22.099 105.250 1.00 37.90 N ATOM 637 CA ALA A 46 -16.994 22.770 104.338 1.00 38.52 C ATOM 638 C ALA A 46 -16.301 24.031 103.807 1.00 38.00 C ATOM 639 O ALA A 46 -16.349 24.309 102.611 1.00 36.83 O ATOM 640 CB ALA A 46 -18.333 23.094 104.990 1.00 39.65 C ATOM 641 HA ALA A 46 -17.213 22.108 103.501 1.00 0.00 H ATOM 642 HB1 ALA A 46 -18.811 22.170 105.315 1.00 0.00 H ATOM 643 HB2 ALA A 46 -18.169 23.742 105.851 1.00 0.00 H ATOM 644 HB3 ALA A 46 -18.974 23.601 104.269 1.00 0.00 H ATOM 645 H ALA A 46 -16.366 22.006 106.254 1.00 0.00 H ATOM 646 N GLU A 47 -15.651 24.790 104.682 1.00 37.36 N ATOM 647 CA GLU A 47 -15.049 26.020 104.256 1.00 36.30 C ATOM 648 C GLU A 47 -13.958 25.716 103.201 1.00 35.73 C ATOM 649 O GLU A 47 -13.829 26.421 102.198 1.00 33.39 O ATOM 650 CB GLU A 47 -14.458 26.764 105.434 1.00 36.89 C ATOM 651 CG GLU A 47 -15.540 27.073 106.436 1.00 40.26 C ATOM 652 CD GLU A 47 -15.076 27.796 107.667 1.00 42.07 C ATOM 653 OE1 GLU A 47 -14.045 27.455 108.275 1.00 41.82 O ATOM 654 OE2 GLU A 47 -15.786 28.721 108.022 1.00 45.20 O ATOM 655 HA GLU A 47 -15.813 26.656 103.810 1.00 0.00 H ATOM 656 HB2 GLU A 47 -13.693 26.147 105.905 1.00 0.00 H ATOM 657 HB3 GLU A 47 -14.009 27.695 105.087 1.00 0.00 H ATOM 658 HG2 GLU A 47 -16.291 27.691 105.944 1.00 0.00 H ATOM 659 HG3 GLU A 47 -15.993 26.131 106.747 1.00 0.00 H ATOM 660 H GLU A 47 -15.579 24.492 105.676 1.00 0.00 H ATOM 661 N LEU A 48 -13.189 24.671 103.440 1.00 34.94 N ATOM 662 CA LEU A 48 -12.124 24.317 102.507 1.00 34.79 C ATOM 663 C LEU A 48 -12.740 23.925 101.182 1.00 36.90 C ATOM 664 O LEU A 48 -12.278 24.338 100.111 1.00 35.56 O ATOM 665 CB LEU A 48 -11.293 23.178 103.067 1.00 34.42 C ATOM 666 CG LEU A 48 -10.507 23.663 104.272 1.00 31.32 C ATOM 667 CD1 LEU A 48 -9.984 22.427 105.059 1.00 32.68 C ATOM 668 CD2 LEU A 48 -9.331 24.565 103.881 1.00 30.35 C ATOM 669 HA LEU A 48 -11.466 25.174 102.359 1.00 0.00 H ATOM 670 HB2 LEU A 48 -11.951 22.363 103.367 1.00 0.00 H ATOM 671 HB3 LEU A 48 -10.602 22.823 102.302 1.00 0.00 H ATOM 672 HG LEU A 48 -11.175 24.262 104.891 1.00 0.00 H ATOM 673 HD21 LEU A 48 -8.649 24.011 103.235 1.00 0.00 H ATOM 674 HD22 LEU A 48 -9.707 25.440 103.350 1.00 0.00 H ATOM 675 HD23 LEU A 48 -8.804 24.883 104.781 1.00 0.00 H ATOM 676 HD11 LEU A 48 -10.830 21.823 105.387 1.00 0.00 H ATOM 677 HD12 LEU A 48 -9.340 21.832 104.412 1.00 0.00 H ATOM 678 HD13 LEU A 48 -9.418 22.764 105.927 1.00 0.00 H ATOM 679 H LEU A 48 -13.342 24.099 104.295 1.00 0.00 H ATOM 680 N GLN A 49 -13.780 23.115 101.226 1.00 38.79 N ATOM 681 CA GLN A 49 -14.421 22.708 99.960 1.00 40.98 C ATOM 682 C GLN A 49 -14.946 23.949 99.216 1.00 40.85 C ATOM 683 O GLN A 49 -14.798 24.070 98.001 1.00 40.78 O ATOM 684 CB GLN A 49 -15.528 21.712 100.194 1.00 41.51 C ATOM 685 CG GLN A 49 -15.108 20.306 100.005 1.00 45.85 C ATOM 686 CD GLN A 49 -16.263 19.334 100.157 1.00 50.37 C ATOM 687 OE1 GLN A 49 -16.159 18.152 99.750 1.00 51.43 O ATOM 688 NE2 GLN A 49 -17.351 19.806 100.746 1.00 46.57 N ATOM 689 HA GLN A 49 -13.671 22.215 99.341 1.00 0.00 H ATOM 690 HB2 GLN A 49 -15.888 21.830 101.216 1.00 0.00 H ATOM 691 HB3 GLN A 49 -16.338 21.927 99.497 1.00 0.00 H ATOM 692 HG2 GLN A 49 -14.687 20.197 99.005 1.00 0.00 H ATOM 693 HG3 GLN A 49 -14.347 20.065 100.747 1.00 0.00 H ATOM 694 HE22 GLN A 49 -17.382 20.796 101.064 1.00 0.00 H ATOM 695 HE21 GLN A 49 -18.174 19.187 100.891 1.00 0.00 H ATOM 696 H GLN A 49 -14.142 22.769 102.137 1.00 0.00 H ATOM 697 N ASP A 50 -15.545 24.865 99.950 1.00 41.69 N ATOM 698 CA ASP A 50 -16.073 26.087 99.369 1.00 42.16 C ATOM 699 C ASP A 50 -14.937 26.882 98.694 1.00 42.19 C ATOM 700 O ASP A 50 -15.114 27.499 97.631 1.00 40.40 O ATOM 701 CB ASP A 50 -16.730 26.957 100.423 1.00 42.38 C ATOM 702 CG ASP A 50 -18.191 26.512 100.765 1.00 47.85 C ATOM 703 OD1 ASP A 50 -18.704 25.525 100.172 1.00 51.60 O ATOM 704 OD2 ASP A 50 -18.888 27.088 101.642 1.00 51.86 O ATOM 705 HA ASP A 50 -16.823 25.808 98.629 1.00 0.00 H ATOM 706 HB2 ASP A 50 -16.131 26.911 101.333 1.00 0.00 H ATOM 707 HB3 ASP A 50 -16.757 27.984 100.058 1.00 0.00 H ATOM 708 H ASP A 50 -15.642 24.709 100.974 1.00 0.00 H ATOM 709 N MET A 51 -13.774 26.894 99.318 1.00 41.41 N ATOM 710 CA MET A 51 -12.673 27.649 98.753 1.00 42.25 C ATOM 711 C MET A 51 -12.315 27.065 97.415 1.00 42.06 C ATOM 712 O MET A 51 -12.238 27.777 96.434 1.00 42.24 O ATOM 713 CB MET A 51 -11.471 27.632 99.676 1.00 42.33 C ATOM 714 CG MET A 51 -11.584 28.529 100.820 1.00 45.15 C ATOM 715 SD MET A 51 -10.180 28.305 101.997 1.00 49.16 S ATOM 716 CE MET A 51 -8.814 28.917 100.985 1.00 52.04 C ATOM 717 HA MET A 51 -12.980 28.688 98.630 1.00 0.00 H ATOM 718 HB2 MET A 51 -11.340 26.616 100.049 1.00 0.00 H ATOM 719 HB3 MET A 51 -10.593 27.922 99.099 1.00 0.00 H ATOM 720 HG2 MET A 51 -12.519 28.323 101.341 1.00 0.00 H ATOM 721 HG3 MET A 51 -11.587 29.559 100.464 1.00 0.00 H ATOM 722 HE1 MET A 51 -8.734 28.313 100.081 1.00 0.00 H ATOM 723 HE2 MET A 51 -9.002 29.956 100.714 1.00 0.00 H ATOM 724 HE3 MET A 51 -7.885 28.850 101.552 1.00 0.00 H ATOM 725 H MET A 51 -13.649 26.367 100.206 1.00 0.00 H ATOM 726 N ILE A 52 -12.137 25.764 97.349 1.00 42.58 N ATOM 727 CA ILE A 52 -11.811 25.198 96.069 1.00 44.10 C ATOM 728 C ILE A 52 -12.951 25.433 95.045 1.00 44.24 C ATOM 729 O ILE A 52 -12.722 25.811 93.876 1.00 43.25 O ATOM 730 CB ILE A 52 -11.567 23.737 96.166 1.00 44.23 C ATOM 731 CG1 ILE A 52 -10.193 23.399 96.772 1.00 47.24 C ATOM 732 CG2 ILE A 52 -11.485 23.181 94.758 1.00 46.53 C ATOM 733 CD1 ILE A 52 -10.069 23.716 98.101 1.00 50.09 C ATOM 734 HA ILE A 52 -10.903 25.698 95.732 1.00 0.00 H ATOM 735 HB ILE A 52 -12.369 23.329 96.781 1.00 0.00 H ATOM 736 HG12 ILE A 52 -10.024 22.328 96.659 1.00 0.00 H ATOM 737 HG13 ILE A 52 -9.431 23.947 96.218 1.00 0.00 H ATOM 738 HD11 ILE A 52 -10.222 24.787 98.234 1.00 0.00 H ATOM 739 HD12 ILE A 52 -10.815 23.167 98.675 1.00 0.00 H ATOM 740 HD13 ILE A 52 -9.071 23.445 98.446 1.00 0.00 H ATOM 741 HG21 ILE A 52 -12.423 23.373 94.238 1.00 0.00 H ATOM 742 HG22 ILE A 52 -10.667 23.665 94.225 1.00 0.00 H ATOM 743 HG23 ILE A 52 -11.306 22.107 94.803 1.00 0.00 H ATOM 744 H ILE A 52 -12.229 25.165 98.194 1.00 0.00 H ATOM 745 N ASN A 53 -14.183 25.148 95.461 1.00 43.99 N ATOM 746 CA ASN A 53 -15.291 25.183 94.507 1.00 43.32 C ATOM 747 C ASN A 53 -15.381 26.541 93.820 1.00 43.07 C ATOM 748 O ASN A 53 -15.667 26.620 92.655 1.00 43.22 O ATOM 749 CB ASN A 53 -16.619 24.797 95.174 1.00 43.64 C ATOM 750 CG ASN A 53 -16.713 23.295 95.515 1.00 44.83 C ATOM 751 OD1 ASN A 53 -16.090 22.443 94.873 1.00 52.05 O ATOM 752 ND2 ASN A 53 -17.495 22.970 96.550 1.00 52.13 N ATOM 753 HA ASN A 53 -15.090 24.438 93.737 1.00 0.00 H ATOM 754 HB2 ASN A 53 -16.723 25.369 96.096 1.00 0.00 H ATOM 755 HB3 ASN A 53 -17.434 25.051 94.496 1.00 0.00 H ATOM 756 HD22 ASN A 53 -18.006 23.712 97.069 1.00 0.00 H ATOM 757 HD21 ASN A 53 -17.592 21.975 96.836 1.00 0.00 H ATOM 758 H ASN A 53 -14.356 24.902 96.457 1.00 0.00 H ATOM 759 N GLU A 54 -15.094 27.606 94.536 1.00 43.61 N ATOM 760 CA GLU A 54 -15.194 28.928 93.983 1.00 44.34 C ATOM 761 C GLU A 54 -14.341 29.130 92.735 1.00 43.41 C ATOM 762 O GLU A 54 -14.678 29.963 91.912 1.00 43.45 O ATOM 763 CB GLU A 54 -14.732 29.927 95.012 1.00 45.48 C ATOM 764 CG GLU A 54 -15.736 30.161 96.122 1.00 51.05 C ATOM 765 CD GLU A 54 -15.335 31.325 96.977 1.00 58.57 C ATOM 766 OE1 GLU A 54 -14.154 31.331 97.438 1.00 63.73 O ATOM 767 OE2 GLU A 54 -16.190 32.250 97.169 1.00 65.85 O ATOM 768 HA GLU A 54 -16.239 29.067 93.704 1.00 0.00 H ATOM 769 HB2 GLU A 54 -13.806 29.562 95.456 1.00 0.00 H ATOM 770 HB3 GLU A 54 -14.544 30.877 94.511 1.00 0.00 H ATOM 771 HG2 GLU A 54 -16.713 30.362 95.682 1.00 0.00 H ATOM 772 HG3 GLU A 54 -15.795 29.267 96.743 1.00 0.00 H ATOM 773 H GLU A 54 -14.788 27.489 95.523 1.00 0.00 H ATOM 774 N VAL A 55 -13.241 28.396 92.622 1.00 42.49 N ATOM 775 CA VAL A 55 -12.320 28.602 91.514 1.00 42.46 C ATOM 776 C VAL A 55 -12.072 27.361 90.709 1.00 42.71 C ATOM 777 O VAL A 55 -11.274 27.364 89.760 1.00 41.91 O ATOM 778 CB VAL A 55 -10.953 29.162 92.017 1.00 42.24 C ATOM 779 CG1 VAL A 55 -11.131 30.509 92.592 1.00 42.36 C ATOM 780 CG2 VAL A 55 -10.305 28.246 93.027 1.00 42.48 C ATOM 781 HA VAL A 55 -12.806 29.328 90.863 1.00 0.00 H ATOM 782 HB VAL A 55 -10.289 29.224 91.155 1.00 0.00 H ATOM 783 HG11 VAL A 55 -11.531 31.178 91.830 1.00 0.00 H ATOM 784 HG12 VAL A 55 -11.825 30.456 93.431 1.00 0.00 H ATOM 785 HG13 VAL A 55 -10.168 30.885 92.938 1.00 0.00 H ATOM 786 HG21 VAL A 55 -10.964 28.131 93.887 1.00 0.00 H ATOM 787 HG22 VAL A 55 -10.128 27.272 92.571 1.00 0.00 H ATOM 788 HG23 VAL A 55 -9.356 28.676 93.349 1.00 0.00 H ATOM 789 H VAL A 55 -13.035 27.666 93.333 1.00 0.00 H ATOM 790 N ASP A 56 -12.784 26.296 91.040 1.00 43.36 N ATOM 791 CA ASP A 56 -12.545 25.017 90.388 1.00 43.66 C ATOM 792 C ASP A 56 -13.280 24.883 89.050 1.00 45.15 C ATOM 793 O ASP A 56 -14.237 24.068 88.925 1.00 45.99 O ATOM 794 CB ASP A 56 -12.996 23.891 91.274 1.00 43.13 C ATOM 795 CG ASP A 56 -12.579 22.586 90.768 1.00 42.44 C ATOM 796 OD1 ASP A 56 -11.532 22.492 90.033 1.00 42.02 O ATOM 797 OD2 ASP A 56 -13.237 21.574 91.094 1.00 44.35 O ATOM 798 HA ASP A 56 -11.472 24.970 90.201 1.00 0.00 H ATOM 799 HB2 ASP A 56 -12.571 24.034 92.267 1.00 0.00 H ATOM 800 HB3 ASP A 56 -14.084 23.910 91.340 1.00 0.00 H ATOM 801 H ASP A 56 -13.520 26.373 91.771 1.00 0.00 H ATOM 802 N ALA A 57 -12.753 25.609 88.068 1.00 46.01 N ATOM 803 CA ALA A 57 -13.290 25.704 86.716 1.00 46.73 C ATOM 804 C ALA A 57 -13.596 24.354 86.070 1.00 46.72 C ATOM 805 O ALA A 57 -14.655 24.238 85.483 1.00 49.32 O ATOM 806 CB ALA A 57 -12.379 26.579 85.808 1.00 46.23 C ATOM 807 HA ALA A 57 -14.256 26.199 86.817 1.00 0.00 H ATOM 808 HB1 ALA A 57 -12.309 27.583 86.226 1.00 0.00 H ATOM 809 HB2 ALA A 57 -11.385 26.135 85.757 1.00 0.00 H ATOM 810 HB3 ALA A 57 -12.807 26.630 84.807 1.00 0.00 H ATOM 811 H ALA A 57 -11.891 26.151 88.281 1.00 0.00 H ATOM 812 N ASP A 58 -12.721 23.368 86.206 1.00 46.34 N ATOM 813 CA ASP A 58 -12.910 22.015 85.609 1.00 46.95 C ATOM 814 C ASP A 58 -13.613 20.986 86.509 1.00 46.28 C ATOM 815 O ASP A 58 -13.811 19.836 86.124 1.00 47.31 O ATOM 816 CB ASP A 58 -11.576 21.433 85.109 1.00 46.49 C ATOM 817 CG ASP A 58 -10.591 21.166 86.240 1.00 45.67 C ATOM 818 OD1 ASP A 58 -10.989 21.351 87.378 1.00 43.68 O ATOM 819 OD2 ASP A 58 -9.452 20.734 86.087 1.00 41.15 O ATOM 820 HA ASP A 58 -13.588 22.192 84.774 1.00 0.00 H ATOM 821 HB2 ASP A 58 -11.776 20.495 84.592 1.00 0.00 H ATOM 822 HB3 ASP A 58 -11.125 22.141 84.413 1.00 0.00 H ATOM 823 H ASP A 58 -11.858 23.547 86.758 1.00 0.00 H ATOM 824 N GLY A 59 -13.970 21.419 87.712 1.00 46.14 N ATOM 825 CA GLY A 59 -14.712 20.591 88.652 1.00 45.57 C ATOM 826 C GLY A 59 -14.038 19.308 89.080 1.00 44.80 C ATOM 827 O GLY A 59 -14.722 18.370 89.505 1.00 44.85 O ATOM 828 HA3 GLY A 59 -15.663 20.330 88.188 1.00 0.00 H ATOM 829 HA2 GLY A 59 -14.897 21.185 89.547 1.00 0.00 H ATOM 830 H GLY A 59 -13.710 22.386 87.994 1.00 0.00 H ATOM 831 N ASN A 60 -12.705 19.250 89.026 1.00 43.58 N ATOM 832 CA ASN A 60 -11.997 18.021 89.414 1.00 42.44 C ATOM 833 C ASN A 60 -11.693 17.960 90.911 1.00 41.64 C ATOM 834 O ASN A 60 -10.977 17.079 91.356 1.00 44.02 O ATOM 835 CB ASN A 60 -10.719 17.803 88.583 1.00 41.57 C ATOM 836 CG ASN A 60 -9.579 18.743 88.950 1.00 40.83 C ATOM 837 OD1 ASN A 60 -9.786 19.726 89.712 1.00 41.60 O ATOM 838 ND2 ASN A 60 -8.445 18.577 88.460 1.00 41.77 N ATOM 839 HA ASN A 60 -12.682 17.202 89.194 1.00 0.00 H ATOM 840 HB2 ASN A 60 -10.381 16.778 88.734 1.00 0.00 H ATOM 841 HB3 ASN A 60 -10.963 17.953 87.531 1.00 0.00 H ATOM 842 HD22 ASN A 60 -8.264 17.769 87.830 1.00 0.00 H ATOM 843 HD21 ASN A 60 -7.680 19.246 88.681 1.00 0.00 H ATOM 844 H ASN A 60 -12.164 20.079 88.708 1.00 0.00 H ATOM 845 N GLY A 61 -12.211 18.912 91.660 1.00 40.45 N ATOM 846 CA GLY A 61 -12.034 18.924 93.086 1.00 41.03 C ATOM 847 C GLY A 61 -10.766 19.531 93.685 1.00 40.46 C ATOM 848 O GLY A 61 -10.709 19.669 94.896 1.00 38.90 O ATOM 849 HA3 GLY A 61 -12.077 17.887 93.419 1.00 0.00 H ATOM 850 HA2 GLY A 61 -12.877 19.474 93.505 1.00 0.00 H ATOM 851 H GLY A 61 -12.760 19.672 91.209 1.00 0.00 H ATOM 852 N THR A 62 -9.738 19.805 92.868 1.00 39.04 N ATOM 853 CA THR A 62 -8.473 20.356 93.377 1.00 37.25 C ATOM 854 C THR A 62 -8.111 21.616 92.564 1.00 37.40 C ATOM 855 O THR A 62 -8.752 21.914 91.566 1.00 33.49 O ATOM 856 CB THR A 62 -7.375 19.384 93.278 1.00 36.79 C ATOM 857 OG1 THR A 62 -7.161 19.045 91.904 1.00 38.24 O ATOM 858 CG2 THR A 62 -7.721 18.050 93.962 1.00 38.02 C ATOM 859 HA THR A 62 -8.609 20.601 94.430 1.00 0.00 H ATOM 860 HB THR A 62 -6.510 19.850 93.749 1.00 0.00 H ATOM 861 HG1 THR A 62 -6.421 18.390 91.838 1.00 0.00 H ATOM 862 HG23 THR A 62 -7.900 18.223 95.023 1.00 0.00 H ATOM 863 HG21 THR A 62 -8.617 17.630 93.504 1.00 0.00 H ATOM 864 HG22 THR A 62 -6.890 17.355 93.841 1.00 0.00 H ATOM 865 H THR A 62 -9.838 19.623 91.849 1.00 0.00 H ATOM 866 N ILE A 63 -7.145 22.385 93.056 1.00 35.66 N ATOM 867 CA ILE A 63 -6.729 23.622 92.403 1.00 36.32 C ATOM 868 C ILE A 63 -5.442 23.391 91.572 1.00 35.41 C ATOM 869 O ILE A 63 -4.405 22.936 92.099 1.00 34.18 O ATOM 870 CB ILE A 63 -6.511 24.707 93.474 1.00 35.85 C ATOM 871 CG1 ILE A 63 -7.823 25.043 94.188 1.00 38.29 C ATOM 872 CG2 ILE A 63 -5.932 25.975 92.877 1.00 38.87 C ATOM 873 CD1 ILE A 63 -7.707 26.093 95.232 1.00 39.56 C ATOM 874 HA ILE A 63 -7.508 23.953 91.716 1.00 0.00 H ATOM 875 HB ILE A 63 -5.799 24.302 94.193 1.00 0.00 H ATOM 876 HG12 ILE A 63 -8.540 25.384 93.441 1.00 0.00 H ATOM 877 HG13 ILE A 63 -8.196 24.134 94.660 1.00 0.00 H ATOM 878 HD11 ILE A 63 -7.004 25.766 95.998 1.00 0.00 H ATOM 879 HD12 ILE A 63 -7.348 27.017 94.778 1.00 0.00 H ATOM 880 HD13 ILE A 63 -8.684 26.265 95.683 1.00 0.00 H ATOM 881 HG21 ILE A 63 -4.971 25.751 92.414 1.00 0.00 H ATOM 882 HG22 ILE A 63 -6.617 26.367 92.125 1.00 0.00 H ATOM 883 HG23 ILE A 63 -5.793 26.715 93.665 1.00 0.00 H ATOM 884 H ILE A 63 -6.670 22.096 93.935 1.00 0.00 H ATOM 885 N ASP A 64 -5.488 23.743 90.290 1.00 34.97 N ATOM 886 CA ASP A 64 -4.299 23.674 89.450 1.00 34.90 C ATOM 887 C ASP A 64 -3.660 25.087 89.430 1.00 34.27 C ATOM 888 O ASP A 64 -4.180 26.027 90.063 1.00 32.57 O ATOM 889 CB ASP A 64 -4.608 23.110 88.032 1.00 35.83 C ATOM 890 CG ASP A 64 -5.552 23.957 87.237 1.00 35.34 C ATOM 891 OD1 ASP A 64 -5.801 25.122 87.564 1.00 36.80 O ATOM 892 OD2 ASP A 64 -6.130 23.516 86.214 1.00 44.37 O ATOM 893 HA ASP A 64 -3.582 22.964 89.863 1.00 0.00 H ATOM 894 HB2 ASP A 64 -3.670 23.031 87.482 1.00 0.00 H ATOM 895 HB3 ASP A 64 -5.047 22.119 88.144 1.00 0.00 H ATOM 896 H ASP A 64 -6.386 24.072 89.881 1.00 0.00 H ATOM 897 N PHE A 65 -2.603 25.282 88.639 1.00 33.70 N ATOM 898 CA PHE A 65 -1.919 26.567 88.669 1.00 33.11 C ATOM 899 C PHE A 65 -2.799 27.746 88.316 1.00 33.02 C ATOM 900 O PHE A 65 -2.860 28.686 89.075 1.00 32.38 O ATOM 901 CB PHE A 65 -0.644 26.587 87.823 1.00 33.52 C ATOM 902 CG PHE A 65 0.314 27.641 88.252 1.00 32.16 C ATOM 903 CD1 PHE A 65 1.139 27.422 89.323 1.00 37.71 C ATOM 904 CD2 PHE A 65 0.369 28.850 87.627 1.00 30.51 C ATOM 905 CE1 PHE A 65 2.027 28.420 89.753 1.00 40.34 C ATOM 906 CE2 PHE A 65 1.241 29.825 88.026 1.00 33.70 C ATOM 907 CZ PHE A 65 2.066 29.621 89.116 1.00 35.25 C ATOM 908 HA PHE A 65 -1.636 26.684 89.715 1.00 0.00 H ATOM 909 HB2 PHE A 65 -0.155 25.616 87.906 1.00 0.00 H ATOM 910 HB3 PHE A 65 -0.918 26.767 86.783 1.00 0.00 H ATOM 911 HD2 PHE A 65 -0.299 29.045 86.788 1.00 0.00 H ATOM 912 HE2 PHE A 65 1.286 30.768 87.481 1.00 0.00 H ATOM 913 HZ PHE A 65 2.736 30.409 89.459 1.00 0.00 H ATOM 914 HE1 PHE A 65 2.687 28.232 90.600 1.00 0.00 H ATOM 915 HD1 PHE A 65 1.106 26.466 89.845 1.00 0.00 H ATOM 916 H PHE A 65 -2.272 24.525 88.008 1.00 0.00 H ATOM 917 N PRO A 66 -3.490 27.720 87.176 1.00 32.68 N ATOM 918 CA PRO A 66 -4.374 28.832 86.830 1.00 33.26 C ATOM 919 C PRO A 66 -5.520 29.114 87.826 1.00 31.11 C ATOM 920 O PRO A 66 -5.947 30.281 88.070 1.00 30.00 O ATOM 921 CB PRO A 66 -4.939 28.398 85.448 1.00 33.82 C ATOM 922 CG PRO A 66 -3.936 27.385 84.949 1.00 36.76 C ATOM 923 CD PRO A 66 -3.497 26.655 86.158 1.00 33.81 C ATOM 924 HA PRO A 66 -3.824 29.773 86.838 1.00 0.00 H ATOM 925 HD3 PRO A 66 -4.199 25.863 86.419 1.00 0.00 H ATOM 926 HD2 PRO A 66 -2.503 26.229 86.024 1.00 0.00 H ATOM 927 HG3 PRO A 66 -3.091 27.884 84.474 1.00 0.00 H ATOM 928 HG2 PRO A 66 -4.401 26.703 84.237 1.00 0.00 H ATOM 929 HB2 PRO A 66 -5.925 27.947 85.556 1.00 0.00 H ATOM 930 HB3 PRO A 66 -5.002 29.249 84.770 1.00 0.00 H ATOM 931 N GLU A 67 -6.069 28.063 88.370 1.00 30.51 N ATOM 932 CA GLU A 67 -7.140 28.228 89.323 1.00 31.65 C ATOM 933 C GLU A 67 -6.570 28.909 90.564 1.00 31.73 C ATOM 934 O GLU A 67 -7.192 29.805 91.134 1.00 31.85 O ATOM 935 CB GLU A 67 -7.803 26.884 89.639 1.00 31.58 C ATOM 936 CG GLU A 67 -8.444 26.221 88.449 1.00 34.44 C ATOM 937 CD GLU A 67 -8.894 24.809 88.730 1.00 37.30 C ATOM 938 OE1 GLU A 67 -8.293 24.138 89.641 1.00 38.00 O ATOM 939 OE2 GLU A 67 -9.846 24.393 88.043 1.00 39.20 O ATOM 940 HA GLU A 67 -7.928 28.857 88.909 1.00 0.00 H ATOM 941 HB2 GLU A 67 -7.043 26.212 90.038 1.00 0.00 H ATOM 942 HB3 GLU A 67 -8.571 27.050 90.394 1.00 0.00 H ATOM 943 HG2 GLU A 67 -9.312 26.809 88.149 1.00 0.00 H ATOM 944 HG3 GLU A 67 -7.722 26.199 87.633 1.00 0.00 H ATOM 945 H GLU A 67 -5.736 27.110 88.118 1.00 0.00 H ATOM 946 N PHE A 68 -5.339 28.553 90.901 1.00 32.74 N ATOM 947 CA PHE A 68 -4.649 29.168 92.058 1.00 31.98 C ATOM 948 C PHE A 68 -4.500 30.636 91.793 1.00 33.05 C ATOM 949 O PHE A 68 -4.780 31.493 92.692 1.00 32.07 O ATOM 950 CB PHE A 68 -3.258 28.553 92.296 1.00 32.38 C ATOM 951 CG PHE A 68 -2.477 29.202 93.415 1.00 31.36 C ATOM 952 CD1 PHE A 68 -2.868 29.036 94.754 1.00 35.00 C ATOM 953 CD2 PHE A 68 -1.389 29.982 93.139 1.00 31.94 C ATOM 954 CE1 PHE A 68 -2.145 29.690 95.802 1.00 34.20 C ATOM 955 CE2 PHE A 68 -0.670 30.632 94.158 1.00 36.16 C ATOM 956 CZ PHE A 68 -1.059 30.472 95.488 1.00 36.53 C ATOM 957 HA PHE A 68 -5.246 28.985 92.951 1.00 0.00 H ATOM 958 HB2 PHE A 68 -3.387 27.498 92.536 1.00 0.00 H ATOM 959 HB3 PHE A 68 -2.680 28.647 91.376 1.00 0.00 H ATOM 960 HD2 PHE A 68 -1.071 30.103 92.104 1.00 0.00 H ATOM 961 HE2 PHE A 68 0.187 31.258 93.910 1.00 0.00 H ATOM 962 HZ PHE A 68 -0.500 30.969 96.281 1.00 0.00 H ATOM 963 HE1 PHE A 68 -2.453 29.569 96.841 1.00 0.00 H ATOM 964 HD1 PHE A 68 -3.725 28.407 94.996 1.00 0.00 H ATOM 965 H PHE A 68 -4.847 27.827 90.342 1.00 0.00 H ATOM 966 N LEU A 69 -4.097 30.962 90.576 1.00 31.51 N ATOM 967 CA LEU A 69 -3.854 32.361 90.243 1.00 33.40 C ATOM 968 C LEU A 69 -5.144 33.145 90.386 1.00 33.59 C ATOM 969 O LEU A 69 -5.131 34.316 90.764 1.00 34.04 O ATOM 970 CB LEU A 69 -3.330 32.527 88.805 1.00 32.29 C ATOM 971 CG LEU A 69 -1.863 32.112 88.619 1.00 32.54 C ATOM 972 CD1 LEU A 69 -1.492 32.315 87.228 1.00 32.64 C ATOM 973 CD2 LEU A 69 -0.907 32.832 89.559 1.00 34.00 C ATOM 974 HA LEU A 69 -3.095 32.736 90.929 1.00 0.00 H ATOM 975 HB2 LEU A 69 -3.945 31.916 88.144 1.00 0.00 H ATOM 976 HB3 LEU A 69 -3.427 33.576 88.524 1.00 0.00 H ATOM 977 HG LEU A 69 -1.777 31.057 88.879 1.00 0.00 H ATOM 978 HD21 LEU A 69 -0.968 33.906 89.385 1.00 0.00 H ATOM 979 HD22 LEU A 69 -1.181 32.614 90.591 1.00 0.00 H ATOM 980 HD23 LEU A 69 0.111 32.490 89.372 1.00 0.00 H ATOM 981 HD11 LEU A 69 -2.133 31.706 86.590 1.00 0.00 H ATOM 982 HD12 LEU A 69 -1.615 33.367 86.970 1.00 0.00 H ATOM 983 HD13 LEU A 69 -0.452 32.023 87.084 1.00 0.00 H ATOM 984 H LEU A 69 -3.954 30.223 89.859 1.00 0.00 H ATOM 985 N THR A 70 -6.244 32.519 89.977 1.00 34.61 N ATOM 986 CA THR A 70 -7.539 33.154 90.055 1.00 35.08 C ATOM 987 C THR A 70 -7.896 33.381 91.554 1.00 35.96 C ATOM 988 O THR A 70 -8.308 34.468 91.956 1.00 37.32 O ATOM 989 CB THR A 70 -8.539 32.276 89.360 1.00 36.26 C ATOM 990 OG1 THR A 70 -8.197 32.179 87.958 1.00 34.10 O ATOM 991 CG2 THR A 70 -9.917 32.917 89.416 1.00 38.09 C ATOM 992 HA THR A 70 -7.540 34.126 89.562 1.00 0.00 H ATOM 993 HB THR A 70 -8.535 31.301 89.847 1.00 0.00 H ATOM 994 HG1 THR A 70 -7.292 31.788 87.867 1.00 0.00 H ATOM 995 HG23 THR A 70 -10.228 33.016 90.456 1.00 0.00 H ATOM 996 HG21 THR A 70 -9.877 33.903 88.952 1.00 0.00 H ATOM 997 HG22 THR A 70 -10.630 32.290 88.880 1.00 0.00 H ATOM 998 H THR A 70 -6.170 31.555 89.594 1.00 0.00 H ATOM 999 N MET A 71 -7.727 32.351 92.343 1.00 36.97 N ATOM 1000 CA MET A 71 -7.940 32.478 93.789 1.00 39.41 C ATOM 1001 C MET A 71 -7.178 33.716 94.318 1.00 39.81 C ATOM 1002 O MET A 71 -7.780 34.604 94.948 1.00 38.92 O ATOM 1003 CB MET A 71 -7.511 31.198 94.483 1.00 39.17 C ATOM 1004 CG MET A 71 -7.726 31.174 95.980 1.00 43.32 C ATOM 1005 SD MET A 71 -7.075 29.730 96.787 1.00 49.97 S ATOM 1006 CE MET A 71 -8.418 28.826 96.968 1.00 50.01 C ATOM 1007 HA MET A 71 -8.998 32.627 94.003 1.00 0.00 H ATOM 1008 HB2 MET A 71 -8.075 30.373 94.048 1.00 0.00 H ATOM 1009 HB3 MET A 71 -6.448 31.051 94.292 1.00 0.00 H ATOM 1010 HG2 MET A 71 -8.798 31.219 96.172 1.00 0.00 H ATOM 1011 HG3 MET A 71 -7.244 32.052 96.409 1.00 0.00 H ATOM 1012 HE1 MET A 71 -9.142 29.370 97.575 1.00 0.00 H ATOM 1013 HE2 MET A 71 -8.848 28.616 95.989 1.00 0.00 H ATOM 1014 HE3 MET A 71 -8.160 27.889 97.461 1.00 0.00 H ATOM 1015 H MET A 71 -7.440 31.435 91.942 1.00 0.00 H ATOM 1016 N MET A 72 -5.875 33.805 94.059 1.00 39.94 N ATOM 1017 CA MET A 72 -5.099 34.923 94.539 1.00 41.55 C ATOM 1018 C MET A 72 -5.567 36.239 93.962 1.00 43.07 C ATOM 1019 O MET A 72 -5.579 37.246 94.657 1.00 43.89 O ATOM 1020 CB MET A 72 -3.631 34.732 94.226 1.00 42.75 C ATOM 1021 CG MET A 72 -3.049 33.557 94.895 1.00 44.28 C ATOM 1022 SD MET A 72 -2.976 33.754 96.689 1.00 53.32 S ATOM 1023 CE MET A 72 -1.842 35.038 96.726 1.00 52.33 C ATOM 1024 HA MET A 72 -5.243 34.958 95.619 1.00 0.00 H ATOM 1025 HB2 MET A 72 -3.518 34.610 93.149 1.00 0.00 H ATOM 1026 HB3 MET A 72 -3.088 35.620 94.549 1.00 0.00 H ATOM 1027 HG2 MET A 72 -2.038 33.404 94.518 1.00 0.00 H ATOM 1028 HG3 MET A 72 -3.658 32.684 94.663 1.00 0.00 H ATOM 1029 HE1 MET A 72 -0.913 34.714 96.258 1.00 0.00 H ATOM 1030 HE2 MET A 72 -2.245 35.893 96.183 1.00 0.00 H ATOM 1031 HE3 MET A 72 -1.650 35.321 97.761 1.00 0.00 H ATOM 1032 H MET A 72 -5.410 33.059 93.503 1.00 0.00 H ATOM 1033 N ALA A 73 -5.942 36.285 92.697 1.00 44.86 N ATOM 1034 CA ALA A 73 -6.401 37.546 92.113 1.00 45.93 C ATOM 1035 C ALA A 73 -7.734 38.020 92.760 1.00 47.61 C ATOM 1036 O ALA A 73 -7.977 39.252 92.902 1.00 47.03 O ATOM 1037 CB ALA A 73 -6.557 37.436 90.629 1.00 45.51 C ATOM 1038 HA ALA A 73 -5.635 38.292 92.322 1.00 0.00 H ATOM 1039 HB1 ALA A 73 -5.597 37.176 90.182 1.00 0.00 H ATOM 1040 HB2 ALA A 73 -7.288 36.661 90.398 1.00 0.00 H ATOM 1041 HB3 ALA A 73 -6.899 38.391 90.229 1.00 0.00 H ATOM 1042 H ALA A 73 -5.911 35.424 92.115 1.00 0.00 H ATOM 1043 N ARG A 74 -8.591 37.081 93.139 1.00 49.03 N ATOM 1044 CA ARG A 74 -9.842 37.491 93.796 1.00 51.17 C ATOM 1045 C ARG A 74 -9.508 38.020 95.196 1.00 52.71 C ATOM 1046 O ARG A 74 -10.114 38.973 95.645 1.00 53.05 O ATOM 1047 CB ARG A 74 -10.868 36.374 93.880 1.00 51.51 C ATOM 1048 CG ARG A 74 -11.547 36.094 92.587 1.00 52.34 C ATOM 1049 CD ARG A 74 -12.388 34.832 92.608 1.00 55.47 C ATOM 1050 NE ARG A 74 -12.910 34.520 91.290 1.00 54.04 N ATOM 1051 CZ ARG A 74 -13.637 33.470 91.017 1.00 57.22 C ATOM 1052 NH1 ARG A 74 -13.955 32.589 91.967 1.00 60.29 N ATOM 1053 NH2 ARG A 74 -14.049 33.287 89.784 1.00 59.01 N ATOM 1054 HA ARG A 74 -10.300 38.271 93.188 1.00 0.00 H ATOM 1055 HB2 ARG A 74 -10.363 35.466 94.209 1.00 0.00 H ATOM 1056 HB3 ARG A 74 -11.624 36.654 94.614 1.00 0.00 H ATOM 1057 HG2 ARG A 74 -12.195 36.937 92.347 1.00 0.00 H ATOM 1058 HG3 ARG A 74 -10.787 35.990 91.813 1.00 0.00 H ATOM 1059 HD2 ARG A 74 -13.222 34.973 93.296 1.00 0.00 H ATOM 1060 HD3 ARG A 74 -11.772 34.001 92.951 1.00 0.00 H ATOM 1061 HE ARG A 74 -12.691 35.175 90.513 1.00 0.00 H ATOM 1062 HH12 ARG A 74 -14.535 31.758 91.733 1.00 0.00 H ATOM 1063 HH11 ARG A 74 -13.623 32.733 92.942 1.00 0.00 H ATOM 1064 HH22 ARG A 74 -14.629 32.457 89.547 1.00 0.00 H ATOM 1065 HH21 ARG A 74 -13.796 33.972 89.044 1.00 0.00 H ATOM 1066 H ARG A 74 -8.383 36.075 92.975 1.00 0.00 H ATOM 1067 N LYS A 75 -8.516 37.425 95.861 1.00 54.31 N ATOM 1068 CA LYS A 75 -8.094 37.911 97.177 1.00 55.72 C ATOM 1069 C LYS A 75 -7.539 39.335 97.079 1.00 56.50 C ATOM 1070 O LYS A 75 -7.753 40.140 97.973 1.00 57.10 O ATOM 1071 CB LYS A 75 -7.056 36.982 97.807 1.00 55.42 C ATOM 1072 CG LYS A 75 -7.610 35.627 98.251 1.00 56.49 C ATOM 1073 CD LYS A 75 -6.508 34.700 98.833 1.00 58.62 C ATOM 1074 CE LYS A 75 -7.027 33.325 99.234 1.00 61.34 C ATOM 1075 NZ LYS A 75 -6.020 32.384 99.876 1.00 64.64 N ATOM 1076 HA LYS A 75 -8.974 37.922 97.820 1.00 0.00 H ATOM 1077 HB2 LYS A 75 -6.267 36.805 97.076 1.00 0.00 H ATOM 1078 HB3 LYS A 75 -6.635 37.482 98.680 1.00 0.00 H ATOM 1079 HG2 LYS A 75 -8.369 35.792 99.016 1.00 0.00 H ATOM 1080 HG3 LYS A 75 -8.064 35.135 97.391 1.00 0.00 H ATOM 1081 HD2 LYS A 75 -5.731 34.571 98.080 1.00 0.00 H ATOM 1082 HD3 LYS A 75 -6.082 35.180 99.714 1.00 0.00 H ATOM 1083 HE2 LYS A 75 -7.410 32.840 98.336 1.00 0.00 H ATOM 1084 HE3 LYS A 75 -7.843 33.471 99.942 1.00 0.00 H ATOM 1085 HZ1 LYS A 75 -5.237 32.212 99.214 1.00 0.00 H ATOM 1086 HZ2 LYS A 75 -5.651 32.816 100.747 1.00 0.00 H ATOM 1087 HZ3 LYS A 75 -6.486 31.483 100.105 1.00 0.00 H ATOM 1088 H LYS A 75 -8.036 36.605 95.439 1.00 0.00 H ATOM 1089 N MET A 76 -6.848 39.645 95.995 1.00 58.22 N ATOM 1090 CA MET A 76 -6.215 40.969 95.794 1.00 60.18 C ATOM 1091 C MET A 76 -7.146 42.111 95.342 1.00 60.97 C ATOM 1092 O MET A 76 -7.989 42.004 94.442 1.00 62.72 O ATOM 1093 CB MET A 76 -5.042 40.841 94.808 1.00 60.47 C ATOM 1094 CG MET A 76 -3.826 40.065 95.400 1.00 63.08 C ATOM 1095 SD MET A 76 -2.408 39.790 94.248 1.00 69.16 S ATOM 1096 CE MET A 76 -2.669 38.161 93.718 1.00 69.91 C ATOM 1097 HA MET A 76 -5.880 41.263 96.789 1.00 0.00 H ATOM 1098 HB2 MET A 76 -5.391 40.314 93.920 1.00 0.00 H ATOM 1099 HB3 MET A 76 -4.712 41.842 94.529 1.00 0.00 H ATOM 1100 HG2 MET A 76 -4.181 39.089 95.732 1.00 0.00 H ATOM 1101 HG3 MET A 76 -3.456 40.627 96.258 1.00 0.00 H ATOM 1102 HE1 MET A 76 -2.652 37.493 94.579 1.00 0.00 H ATOM 1103 HE2 MET A 76 -3.637 38.092 93.223 1.00 0.00 H ATOM 1104 HE3 MET A 76 -1.881 37.877 93.020 1.00 0.00 H ATOM 1105 H MET A 76 -6.744 38.927 95.250 1.00 0.00 H TER 1106 MET A 76 ATOM 1107 N SER A 81 -11.313 44.583 104.079 1.00 62.79 N ATOM 1108 CA SER A 81 -11.485 45.505 105.241 1.00 62.35 C ATOM 1109 C SER A 81 -10.362 45.443 106.309 1.00 61.34 C ATOM 1110 O SER A 81 -9.590 44.494 106.389 1.00 61.22 O ATOM 1111 CB SER A 81 -12.840 45.228 105.912 1.00 62.44 C ATOM 1112 OG SER A 81 -12.757 44.098 106.756 1.00 62.90 O ATOM 1113 HA SER A 81 -11.434 46.511 104.824 1.00 0.00 H ATOM 1114 HB2 SER A 81 -13.590 45.046 105.143 1.00 0.00 H ATOM 1115 HB3 SER A 81 -13.131 46.096 106.503 1.00 0.00 H ATOM 1116 HG SER A 81 -13.638 43.937 107.178 1.00 0.00 H ATOM 1117 HN3 SER A 81 -11.282 43.601 104.419 1.00 0.00 H ATOM 1118 HN2 SER A 81 -10.425 44.809 103.587 1.00 0.00 H ATOM 1119 HN1 SER A 81 -12.112 44.700 103.424 1.00 0.00 H ATOM 1120 N GLU A 82 -10.229 46.533 107.043 1.00 60.63 N ATOM 1121 CA GLU A 82 -9.374 46.615 108.227 1.00 60.25 C ATOM 1122 C GLU A 82 -9.217 45.299 108.992 1.00 58.66 C ATOM 1123 O GLU A 82 -8.091 44.886 109.262 1.00 58.68 O ATOM 1124 CB GLU A 82 -9.916 47.692 109.156 1.00 60.70 C ATOM 1125 CG GLU A 82 -9.170 47.820 110.460 1.00 62.94 C ATOM 1126 CD GLU A 82 -7.769 48.356 110.294 1.00 65.98 C ATOM 1127 OE1 GLU A 82 -7.328 48.523 109.123 1.00 68.37 O ATOM 1128 OE2 GLU A 82 -7.119 48.611 111.350 1.00 66.17 O ATOM 1129 HA GLU A 82 -8.375 46.863 107.868 1.00 0.00 H ATOM 1130 HB2 GLU A 82 -9.863 48.649 108.637 1.00 0.00 H ATOM 1131 HB3 GLU A 82 -10.957 47.458 109.379 1.00 0.00 H ATOM 1132 HG2 GLU A 82 -9.724 48.495 111.112 1.00 0.00 H ATOM 1133 HG3 GLU A 82 -9.112 46.835 110.924 1.00 0.00 H ATOM 1134 H GLU A 82 -10.762 47.381 106.763 1.00 0.00 H ATOM 1135 N GLU A 83 -10.320 44.616 109.309 1.00 56.37 N ATOM 1136 CA GLU A 83 -10.262 43.368 110.090 1.00 54.90 C ATOM 1137 C GLU A 83 -9.513 42.220 109.427 1.00 52.59 C ATOM 1138 O GLU A 83 -8.781 41.452 110.105 1.00 51.14 O ATOM 1139 CB GLU A 83 -11.676 42.902 110.512 1.00 55.49 C ATOM 1140 CG GLU A 83 -11.729 41.512 111.144 1.00 58.44 C ATOM 1141 CD GLU A 83 -10.806 41.312 112.351 1.00 63.82 C ATOM 1142 OE1 GLU A 83 -10.284 42.302 112.953 1.00 64.10 O ATOM 1143 OE2 GLU A 83 -10.597 40.129 112.696 1.00 68.17 O ATOM 1144 HA GLU A 83 -9.676 43.632 110.970 1.00 0.00 H ATOM 1145 HB2 GLU A 83 -12.068 43.618 111.234 1.00 0.00 H ATOM 1146 HB3 GLU A 83 -12.310 42.897 109.626 1.00 0.00 H ATOM 1147 HG2 GLU A 83 -12.753 41.326 111.467 1.00 0.00 H ATOM 1148 HG3 GLU A 83 -11.452 40.783 110.382 1.00 0.00 H ATOM 1149 H GLU A 83 -11.245 44.975 108.996 1.00 0.00 H ATOM 1150 N GLU A 84 -9.704 42.038 108.128 1.00 50.10 N ATOM 1151 CA GLU A 84 -9.002 40.931 107.470 1.00 49.44 C ATOM 1152 C GLU A 84 -7.480 41.231 107.449 1.00 45.57 C ATOM 1153 O GLU A 84 -6.669 40.363 107.601 1.00 43.59 O ATOM 1154 CB GLU A 84 -9.524 40.707 106.048 1.00 50.68 C ATOM 1155 CG GLU A 84 -10.943 40.095 105.987 1.00 56.01 C ATOM 1156 CD GLU A 84 -11.001 38.664 106.504 1.00 61.07 C ATOM 1157 OE1 GLU A 84 -10.083 37.885 106.167 1.00 65.43 O ATOM 1158 OE2 GLU A 84 -11.965 38.295 107.233 1.00 67.54 O ATOM 1159 HA GLU A 84 -9.186 40.016 108.033 1.00 0.00 H ATOM 1160 HB2 GLU A 84 -9.543 41.668 105.534 1.00 0.00 H ATOM 1161 HB3 GLU A 84 -8.838 40.034 105.533 1.00 0.00 H ATOM 1162 HG2 GLU A 84 -11.612 40.709 106.590 1.00 0.00 H ATOM 1163 HG3 GLU A 84 -11.280 40.103 104.950 1.00 0.00 H ATOM 1164 H GLU A 84 -10.336 42.664 107.589 1.00 0.00 H ATOM 1165 N ILE A 85 -7.136 42.480 107.237 1.00 43.04 N ATOM 1166 CA ILE A 85 -5.724 42.871 107.153 1.00 41.38 C ATOM 1167 C ILE A 85 -5.101 42.777 108.550 1.00 40.11 C ATOM 1168 O ILE A 85 -4.020 42.228 108.719 1.00 38.94 O ATOM 1169 CB ILE A 85 -5.624 44.283 106.567 1.00 41.48 C ATOM 1170 CG1 ILE A 85 -6.243 44.334 105.171 1.00 43.15 C ATOM 1171 CG2 ILE A 85 -4.161 44.711 106.403 1.00 39.61 C ATOM 1172 CD1 ILE A 85 -6.323 45.743 104.590 1.00 46.13 C ATOM 1173 HA ILE A 85 -5.172 42.202 106.493 1.00 0.00 H ATOM 1174 HB ILE A 85 -6.148 44.943 107.258 1.00 0.00 H ATOM 1175 HG12 ILE A 85 -5.639 43.719 104.503 1.00 0.00 H ATOM 1176 HG13 ILE A 85 -7.252 43.926 105.226 1.00 0.00 H ATOM 1177 HD11 ILE A 85 -6.934 46.369 105.241 1.00 0.00 H ATOM 1178 HD12 ILE A 85 -5.319 46.162 104.518 1.00 0.00 H ATOM 1179 HD13 ILE A 85 -6.773 45.701 103.598 1.00 0.00 H ATOM 1180 HG21 ILE A 85 -3.670 44.701 107.376 1.00 0.00 H ATOM 1181 HG22 ILE A 85 -3.654 44.018 105.732 1.00 0.00 H ATOM 1182 HG23 ILE A 85 -4.123 45.717 105.985 1.00 0.00 H ATOM 1183 H ILE A 85 -7.875 43.203 107.127 1.00 0.00 H ATOM 1184 N ARG A 86 -5.835 43.236 109.568 1.00 40.16 N ATOM 1185 CA ARG A 86 -5.352 43.174 110.943 1.00 40.01 C ATOM 1186 C ARG A 86 -5.082 41.760 111.331 1.00 39.44 C ATOM 1187 O ARG A 86 -4.087 41.448 111.984 1.00 36.65 O ATOM 1188 CB ARG A 86 -6.338 43.795 111.927 1.00 41.14 C ATOM 1189 CG ARG A 86 -6.243 45.259 112.060 1.00 43.78 C ATOM 1190 CD ARG A 86 -4.977 45.638 112.827 1.00 48.37 C ATOM 1191 NE ARG A 86 -4.757 47.060 113.041 1.00 50.25 N ATOM 1192 CZ ARG A 86 -3.651 47.502 113.616 1.00 53.80 C ATOM 1193 NH1 ARG A 86 -2.713 46.615 114.027 1.00 51.57 N ATOM 1194 NH2 ARG A 86 -3.499 48.811 113.802 1.00 57.11 N ATOM 1195 HA ARG A 86 -4.429 43.752 110.986 1.00 0.00 H ATOM 1196 HB2 ARG A 86 -7.347 43.550 111.596 1.00 0.00 H ATOM 1197 HB3 ARG A 86 -6.161 43.353 112.908 1.00 0.00 H ATOM 1198 HG2 ARG A 86 -6.212 45.710 111.068 1.00 0.00 H ATOM 1199 HG3 ARG A 86 -7.115 45.629 112.599 1.00 0.00 H ATOM 1200 HD2 ARG A 86 -4.123 45.249 112.273 1.00 0.00 H ATOM 1201 HD3 ARG A 86 -5.024 45.158 113.804 1.00 0.00 H ATOM 1202 HE ARG A 86 -5.482 47.741 112.737 1.00 0.00 H ATOM 1203 HH12 ARG A 86 -1.840 46.954 114.480 1.00 0.00 H ATOM 1204 HH11 ARG A 86 -2.866 45.596 113.889 1.00 0.00 H ATOM 1205 HH22 ARG A 86 -2.635 49.175 114.253 1.00 0.00 H ATOM 1206 HH21 ARG A 86 -4.244 49.470 113.497 1.00 0.00 H ATOM 1207 H ARG A 86 -6.771 43.646 109.376 1.00 0.00 H ATOM 1208 N GLU A 87 -5.980 40.867 110.939 1.00 38.91 N ATOM 1209 CA GLU A 87 -5.816 39.498 111.270 1.00 38.83 C ATOM 1210 C GLU A 87 -4.562 38.959 110.591 1.00 36.86 C ATOM 1211 O GLU A 87 -3.815 38.246 111.186 1.00 35.51 O ATOM 1212 CB GLU A 87 -7.010 38.663 110.772 1.00 41.19 C ATOM 1213 CG GLU A 87 -8.277 38.839 111.581 1.00 47.90 C ATOM 1214 CD GLU A 87 -9.326 37.740 111.359 1.00 54.48 C ATOM 1215 OE1 GLU A 87 -9.775 37.555 110.204 1.00 58.07 O ATOM 1216 OE2 GLU A 87 -9.696 37.076 112.369 1.00 61.84 O ATOM 1217 HA GLU A 87 -5.742 39.423 112.355 1.00 0.00 H ATOM 1218 HB2 GLU A 87 -7.221 38.949 109.742 1.00 0.00 H ATOM 1219 HB3 GLU A 87 -6.728 37.611 110.805 1.00 0.00 H ATOM 1220 HG2 GLU A 87 -8.009 38.847 112.638 1.00 0.00 H ATOM 1221 HG3 GLU A 87 -8.723 39.797 111.313 1.00 0.00 H ATOM 1222 H GLU A 87 -6.807 41.171 110.387 1.00 0.00 H ATOM 1223 N ALA A 88 -4.391 39.231 109.310 1.00 35.89 N ATOM 1224 CA ALA A 88 -3.185 38.731 108.602 1.00 35.27 C ATOM 1225 C ALA A 88 -1.912 39.339 109.243 1.00 33.65 C ATOM 1226 O ALA A 88 -0.890 38.689 109.365 1.00 35.03 O ATOM 1227 CB ALA A 88 -3.282 39.129 107.178 1.00 35.53 C ATOM 1228 HA ALA A 88 -3.124 37.645 108.679 1.00 0.00 H ATOM 1229 HB1 ALA A 88 -4.180 38.693 106.741 1.00 0.00 H ATOM 1230 HB2 ALA A 88 -3.333 40.216 107.108 1.00 0.00 H ATOM 1231 HB3 ALA A 88 -2.404 38.770 106.641 1.00 0.00 H ATOM 1232 H ALA A 88 -5.100 39.794 108.798 1.00 0.00 H ATOM 1233 N PHE A 89 -1.990 40.585 109.685 1.00 33.65 N ATOM 1234 CA PHE A 89 -0.829 41.212 110.365 1.00 32.88 C ATOM 1235 C PHE A 89 -0.502 40.416 111.615 1.00 33.28 C ATOM 1236 O PHE A 89 0.640 40.147 111.961 1.00 32.62 O ATOM 1237 CB PHE A 89 -1.145 42.657 110.746 1.00 31.14 C ATOM 1238 CG PHE A 89 0.059 43.443 111.331 1.00 26.43 C ATOM 1239 CD1 PHE A 89 1.114 43.834 110.489 1.00 24.61 C ATOM 1240 CD2 PHE A 89 0.075 43.783 112.665 1.00 27.04 C ATOM 1241 CE1 PHE A 89 2.112 44.553 110.963 1.00 25.99 C ATOM 1242 CE2 PHE A 89 1.142 44.511 113.201 1.00 32.13 C ATOM 1243 CZ PHE A 89 2.142 44.914 112.347 1.00 26.34 C ATOM 1244 HA PHE A 89 0.024 41.213 109.687 1.00 0.00 H ATOM 1245 HB2 PHE A 89 -1.491 43.178 109.853 1.00 0.00 H ATOM 1246 HB3 PHE A 89 -1.941 42.647 111.491 1.00 0.00 H ATOM 1247 HD2 PHE A 89 -0.751 43.482 113.309 1.00 0.00 H ATOM 1248 HE2 PHE A 89 1.180 44.752 114.263 1.00 0.00 H ATOM 1249 HZ PHE A 89 2.967 45.515 112.729 1.00 0.00 H ATOM 1250 HE1 PHE A 89 2.915 44.873 110.300 1.00 0.00 H ATOM 1251 HD1 PHE A 89 1.107 43.541 109.439 1.00 0.00 H ATOM 1252 H PHE A 89 -2.868 41.126 109.555 1.00 0.00 H ATOM 1253 N ARG A 90 -1.526 40.001 112.341 1.00 33.68 N ATOM 1254 CA ARG A 90 -1.246 39.309 113.568 1.00 33.35 C ATOM 1255 C ARG A 90 -0.748 37.937 113.341 1.00 32.92 C ATOM 1256 O ARG A 90 -0.317 37.382 114.237 1.00 32.21 O ATOM 1257 CB ARG A 90 -2.493 39.153 114.451 1.00 35.82 C ATOM 1258 CG ARG A 90 -3.084 40.495 114.982 1.00 36.27 C ATOM 1259 CD ARG A 90 -4.110 40.263 116.077 1.00 40.54 C ATOM 1260 NE ARG A 90 -5.204 39.452 115.561 1.00 41.26 N ATOM 1261 CZ ARG A 90 -6.283 39.959 115.020 1.00 44.91 C ATOM 1262 NH1 ARG A 90 -6.411 41.257 114.941 1.00 43.70 N ATOM 1263 NH2 ARG A 90 -7.222 39.158 114.566 1.00 48.69 N ATOM 1264 HA ARG A 90 -0.492 39.927 114.056 1.00 0.00 H ATOM 1265 HB2 ARG A 90 -3.263 38.650 113.867 1.00 0.00 H ATOM 1266 HB3 ARG A 90 -2.228 38.535 115.309 1.00 0.00 H ATOM 1267 HG2 ARG A 90 -2.273 41.105 115.381 1.00 0.00 H ATOM 1268 HG3 ARG A 90 -3.562 41.022 114.156 1.00 0.00 H ATOM 1269 HD2 ARG A 90 -4.499 41.222 116.418 1.00 0.00 H ATOM 1270 HD3 ARG A 90 -3.638 39.746 116.912 1.00 0.00 H ATOM 1271 HE ARG A 90 -5.124 38.417 115.626 1.00 0.00 H ATOM 1272 HH12 ARG A 90 -7.264 41.670 114.513 1.00 0.00 H ATOM 1273 HH11 ARG A 90 -5.660 41.877 115.306 1.00 0.00 H ATOM 1274 HH22 ARG A 90 -8.081 39.556 114.135 1.00 0.00 H ATOM 1275 HH21 ARG A 90 -7.105 38.127 114.638 1.00 0.00 H ATOM 1276 H ARG A 90 -2.505 40.171 112.033 1.00 0.00 H ATOM 1277 N VAL A 91 -0.867 37.369 112.167 1.00 34.84 N ATOM 1278 CA VAL A 91 -0.227 36.076 111.937 1.00 36.25 C ATOM 1279 C VAL A 91 1.277 36.286 112.065 1.00 34.85 C ATOM 1280 O VAL A 91 1.965 35.477 112.622 1.00 36.77 O ATOM 1281 CB VAL A 91 -0.587 35.594 110.552 1.00 37.32 C ATOM 1282 CG1 VAL A 91 0.308 34.404 110.079 1.00 39.79 C ATOM 1283 CG2 VAL A 91 -2.086 35.203 110.519 1.00 41.45 C ATOM 1284 HA VAL A 91 -0.557 35.327 112.656 1.00 0.00 H ATOM 1285 HB VAL A 91 -0.403 36.411 109.854 1.00 0.00 H ATOM 1286 HG11 VAL A 91 1.351 34.719 110.064 1.00 0.00 H ATOM 1287 HG12 VAL A 91 0.190 33.567 110.767 1.00 0.00 H ATOM 1288 HG13 VAL A 91 0.005 34.099 109.078 1.00 0.00 H ATOM 1289 HG21 VAL A 91 -2.269 34.408 111.242 1.00 0.00 H ATOM 1290 HG22 VAL A 91 -2.693 36.072 110.772 1.00 0.00 H ATOM 1291 HG23 VAL A 91 -2.347 34.855 109.520 1.00 0.00 H ATOM 1292 H VAL A 91 -1.409 37.832 111.410 1.00 0.00 H ATOM 1293 N PHE A 92 1.782 37.421 111.600 1.00 33.00 N ATOM 1294 CA PHE A 92 3.255 37.645 111.620 1.00 31.75 C ATOM 1295 C PHE A 92 3.754 38.332 112.873 1.00 32.40 C ATOM 1296 O PHE A 92 4.827 38.029 113.371 1.00 33.15 O ATOM 1297 CB PHE A 92 3.622 38.514 110.460 1.00 31.09 C ATOM 1298 CG PHE A 92 3.394 37.863 109.145 1.00 32.61 C ATOM 1299 CD1 PHE A 92 2.229 38.085 108.462 1.00 33.17 C ATOM 1300 CD2 PHE A 92 4.327 36.974 108.605 1.00 33.61 C ATOM 1301 CE1 PHE A 92 2.011 37.437 107.253 1.00 37.81 C ATOM 1302 CE2 PHE A 92 4.091 36.370 107.425 1.00 32.05 C ATOM 1303 CZ PHE A 92 2.911 36.559 106.784 1.00 33.10 C ATOM 1304 HA PHE A 92 3.716 36.658 111.577 1.00 0.00 H ATOM 1305 HB2 PHE A 92 3.023 39.423 110.505 1.00 0.00 H ATOM 1306 HB3 PHE A 92 4.678 38.772 110.541 1.00 0.00 H ATOM 1307 HD2 PHE A 92 5.252 36.768 109.143 1.00 0.00 H ATOM 1308 HE2 PHE A 92 4.852 35.726 106.983 1.00 0.00 H ATOM 1309 HZ PHE A 92 2.691 35.992 105.879 1.00 0.00 H ATOM 1310 HE1 PHE A 92 1.105 37.642 106.683 1.00 0.00 H ATOM 1311 HD1 PHE A 92 1.478 38.765 108.864 1.00 0.00 H ATOM 1312 H PHE A 92 1.150 38.155 111.221 1.00 0.00 H ATOM 1313 N ASP A 93 2.970 39.249 113.407 1.00 32.27 N ATOM 1314 CA ASP A 93 3.407 40.020 114.567 1.00 31.98 C ATOM 1315 C ASP A 93 3.100 39.292 115.849 1.00 34.28 C ATOM 1316 O ASP A 93 2.224 39.660 116.624 1.00 33.77 O ATOM 1317 CB ASP A 93 2.754 41.411 114.569 1.00 30.60 C ATOM 1318 CG ASP A 93 3.158 42.238 115.774 1.00 26.87 C ATOM 1319 OD1 ASP A 93 4.278 42.105 116.295 1.00 29.17 O ATOM 1320 OD2 ASP A 93 2.402 43.092 116.270 1.00 25.60 O ATOM 1321 HA ASP A 93 4.488 40.144 114.499 1.00 0.00 H ATOM 1322 HB2 ASP A 93 3.054 41.940 113.665 1.00 0.00 H ATOM 1323 HB3 ASP A 93 1.671 41.289 114.575 1.00 0.00 H ATOM 1324 H ASP A 93 2.030 39.424 112.997 1.00 0.00 H ATOM 1325 N LYS A 94 3.886 38.265 116.060 1.00 37.73 N ATOM 1326 CA LYS A 94 3.726 37.323 117.159 1.00 38.71 C ATOM 1327 C LYS A 94 3.790 37.863 118.567 1.00 39.02 C ATOM 1328 O LYS A 94 2.931 37.504 119.405 1.00 38.97 O ATOM 1329 CB LYS A 94 4.749 36.221 117.003 1.00 40.87 C ATOM 1330 CG LYS A 94 4.569 35.458 115.720 1.00 45.08 C ATOM 1331 CD LYS A 94 3.316 34.589 115.752 1.00 50.99 C ATOM 1332 CE LYS A 94 3.351 33.460 114.711 1.00 53.82 C ATOM 1333 NZ LYS A 94 1.940 33.118 114.302 1.00 52.83 N ATOM 1334 HA LYS A 94 2.695 36.980 117.066 1.00 0.00 H ATOM 1335 HB2 LYS A 94 5.746 36.662 117.013 1.00 0.00 H ATOM 1336 HB3 LYS A 94 4.651 35.530 117.840 1.00 0.00 H ATOM 1337 HG2 LYS A 94 4.487 36.167 114.896 1.00 0.00 H ATOM 1338 HG3 LYS A 94 5.438 34.819 115.563 1.00 0.00 H ATOM 1339 HD2 LYS A 94 3.223 34.147 116.744 1.00 0.00 H ATOM 1340 HD3 LYS A 94 2.449 35.219 115.554 1.00 0.00 H ATOM 1341 HE2 LYS A 94 3.829 32.581 115.143 1.00 0.00 H ATOM 1342 HE3 LYS A 94 3.915 33.787 113.837 1.00 0.00 H ATOM 1343 HZ1 LYS A 94 1.404 32.807 115.137 1.00 0.00 H ATOM 1344 HZ2 LYS A 94 1.486 33.959 113.891 1.00 0.00 H ATOM 1345 HZ3 LYS A 94 1.960 32.354 113.597 1.00 0.00 H ATOM 1346 H LYS A 94 4.675 38.113 115.400 1.00 0.00 H ATOM 1347 N ASP A 95 4.731 38.767 118.845 1.00 36.79 N ATOM 1348 CA ASP A 95 4.786 39.376 120.155 1.00 35.23 C ATOM 1349 C ASP A 95 3.820 40.505 120.350 1.00 32.80 C ATOM 1350 O ASP A 95 3.805 41.126 121.384 1.00 35.56 O ATOM 1351 CB ASP A 95 6.189 39.783 120.531 1.00 34.77 C ATOM 1352 CG ASP A 95 6.736 40.887 119.694 1.00 35.15 C ATOM 1353 OD1 ASP A 95 6.027 41.471 118.835 1.00 31.19 O ATOM 1354 OD2 ASP A 95 7.908 41.232 119.903 1.00 32.83 O ATOM 1355 HA ASP A 95 4.464 38.592 120.841 1.00 0.00 H ATOM 1356 HB2 ASP A 95 6.186 40.108 121.571 1.00 0.00 H ATOM 1357 HB3 ASP A 95 6.840 38.915 120.425 1.00 0.00 H ATOM 1358 H ASP A 95 5.426 39.034 118.119 1.00 0.00 H ATOM 1359 N GLY A 96 3.047 40.792 119.336 1.00 31.40 N ATOM 1360 CA GLY A 96 2.113 41.900 119.333 1.00 30.71 C ATOM 1361 C GLY A 96 2.660 43.336 119.516 1.00 30.12 C ATOM 1362 O GLY A 96 1.888 44.246 119.839 1.00 28.00 O ATOM 1363 HA3 GLY A 96 1.402 41.722 120.140 1.00 0.00 H ATOM 1364 HA2 GLY A 96 1.589 41.876 118.377 1.00 0.00 H ATOM 1365 H GLY A 96 3.105 40.194 118.487 1.00 0.00 H ATOM 1366 N ASN A 97 3.959 43.577 119.270 1.00 26.84 N ATOM 1367 CA ASN A 97 4.424 44.931 119.519 1.00 25.68 C ATOM 1368 C ASN A 97 4.121 45.960 118.401 1.00 24.42 C ATOM 1369 O ASN A 97 4.539 47.114 118.481 1.00 24.06 O ATOM 1370 CB ASN A 97 5.925 44.918 119.869 1.00 26.32 C ATOM 1371 CG ASN A 97 6.823 44.615 118.651 1.00 26.38 C ATOM 1372 OD1 ASN A 97 6.397 44.031 117.595 1.00 25.85 O ATOM 1373 ND2 ASN A 97 8.113 44.989 118.793 1.00 26.86 N ATOM 1374 HA ASN A 97 3.839 45.283 120.369 1.00 0.00 H ATOM 1375 HB2 ASN A 97 6.198 45.895 120.268 1.00 0.00 H ATOM 1376 HB3 ASN A 97 6.099 44.155 120.628 1.00 0.00 H ATOM 1377 HD22 ASN A 97 8.424 45.462 119.665 1.00 0.00 H ATOM 1378 HD21 ASN A 97 8.795 44.804 118.030 1.00 0.00 H ATOM 1379 H ASN A 97 4.597 42.834 118.920 1.00 0.00 H ATOM 1380 N GLY A 98 3.500 45.533 117.319 1.00 23.73 N ATOM 1381 CA GLY A 98 3.124 46.437 116.245 1.00 23.36 C ATOM 1382 C GLY A 98 4.136 46.483 115.117 1.00 22.72 C ATOM 1383 O GLY A 98 3.984 47.289 114.194 1.00 26.51 O ATOM 1384 HA3 GLY A 98 3.020 47.440 116.658 1.00 0.00 H ATOM 1385 HA2 GLY A 98 2.167 46.112 115.838 1.00 0.00 H ATOM 1386 H GLY A 98 3.273 44.522 117.232 1.00 0.00 H ATOM 1387 N TYR A 99 5.145 45.587 115.168 1.00 22.57 N ATOM 1388 CA TYR A 99 6.193 45.556 114.155 1.00 22.94 C ATOM 1389 C TYR A 99 6.488 44.139 113.821 1.00 23.90 C ATOM 1390 O TYR A 99 6.650 43.368 114.734 1.00 25.03 O ATOM 1391 CB TYR A 99 7.468 46.213 114.700 1.00 24.28 C ATOM 1392 CG TYR A 99 7.297 47.686 114.904 1.00 24.64 C ATOM 1393 CD1 TYR A 99 7.524 48.601 113.848 1.00 28.62 C ATOM 1394 CD2 TYR A 99 6.821 48.199 116.099 1.00 29.50 C ATOM 1395 CE1 TYR A 99 7.361 49.950 114.013 1.00 26.53 C ATOM 1396 CE2 TYR A 99 6.640 49.539 116.259 1.00 25.72 C ATOM 1397 CZ TYR A 99 6.904 50.406 115.207 1.00 26.36 C ATOM 1398 OH TYR A 99 6.695 51.768 115.354 1.00 30.74 O ATOM 1399 HA TYR A 99 5.860 46.097 113.270 1.00 0.00 H ATOM 1400 HB3 TYR A 99 8.280 46.047 113.992 1.00 0.00 H ATOM 1401 HB2 TYR A 99 7.721 45.752 115.655 1.00 0.00 H ATOM 1402 HD2 TYR A 99 6.589 47.522 116.921 1.00 0.00 H ATOM 1403 HE2 TYR A 99 6.288 49.931 117.213 1.00 0.00 H ATOM 1404 HE1 TYR A 99 7.593 50.642 113.204 1.00 0.00 H ATOM 1405 HD1 TYR A 99 7.837 48.221 112.876 1.00 0.00 H ATOM 1406 HH TYR A 99 7.261 52.110 116.091 1.00 0.00 H ATOM 1407 H TYR A 99 5.175 44.902 115.950 1.00 0.00 H ATOM 1408 N ILE A 100 6.535 43.791 112.537 1.00 23.02 N ATOM 1409 CA ILE A 100 6.979 42.474 112.143 1.00 22.33 C ATOM 1410 C ILE A 100 8.465 42.539 111.966 1.00 24.47 C ATOM 1411 O ILE A 100 8.954 43.302 111.126 1.00 23.96 O ATOM 1412 CB ILE A 100 6.385 42.077 110.857 1.00 20.94 C ATOM 1413 CG1 ILE A 100 4.855 41.887 110.998 1.00 22.68 C ATOM 1414 CG2 ILE A 100 6.979 40.750 110.403 1.00 23.74 C ATOM 1415 CD1 ILE A 100 4.175 41.929 109.698 1.00 26.17 C ATOM 1416 HA ILE A 100 6.682 41.751 112.903 1.00 0.00 H ATOM 1417 HB ILE A 100 6.596 42.863 110.132 1.00 0.00 H ATOM 1418 HG12 ILE A 100 4.661 40.922 111.466 1.00 0.00 H ATOM 1419 HG13 ILE A 100 4.458 42.682 111.629 1.00 0.00 H ATOM 1420 HD11 ILE A 100 4.357 42.894 109.225 1.00 0.00 H ATOM 1421 HD12 ILE A 100 4.561 41.133 109.062 1.00 0.00 H ATOM 1422 HD13 ILE A 100 3.104 41.791 109.845 1.00 0.00 H ATOM 1423 HG21 ILE A 100 8.057 40.857 110.285 1.00 0.00 H ATOM 1424 HG22 ILE A 100 6.768 39.985 111.150 1.00 0.00 H ATOM 1425 HG23 ILE A 100 6.535 40.462 109.450 1.00 0.00 H ATOM 1426 H ILE A 100 6.249 44.476 111.809 1.00 0.00 H ATOM 1427 N SER A 101 9.175 41.768 112.757 1.00 25.07 N ATOM 1428 CA SER A 101 10.612 41.673 112.575 1.00 26.81 C ATOM 1429 C SER A 101 11.005 40.574 111.643 1.00 26.97 C ATOM 1430 O SER A 101 10.180 39.710 111.314 1.00 23.14 O ATOM 1431 CB SER A 101 11.239 41.400 113.910 1.00 27.50 C ATOM 1432 OG SER A 101 10.985 40.039 114.283 1.00 30.10 O ATOM 1433 HA SER A 101 10.953 42.614 112.143 1.00 0.00 H ATOM 1434 HB2 SER A 101 10.811 42.069 114.657 1.00 0.00 H ATOM 1435 HB3 SER A 101 12.314 41.566 113.848 1.00 0.00 H ATOM 1436 HG SER A 101 11.398 39.857 115.164 1.00 0.00 H ATOM 1437 H SER A 101 8.709 41.226 113.513 1.00 0.00 H ATOM 1438 N ALA A 102 12.273 40.573 111.214 1.00 25.29 N ATOM 1439 CA ALA A 102 12.810 39.474 110.463 1.00 26.81 C ATOM 1440 C ALA A 102 12.673 38.135 111.176 1.00 26.63 C ATOM 1441 O ALA A 102 12.360 37.164 110.523 1.00 27.35 O ATOM 1442 CB ALA A 102 14.323 39.702 110.027 1.00 28.33 C ATOM 1443 HA ALA A 102 12.198 39.436 109.562 1.00 0.00 H ATOM 1444 HB1 ALA A 102 14.390 40.594 109.405 1.00 0.00 H ATOM 1445 HB2 ALA A 102 14.941 39.830 110.916 1.00 0.00 H ATOM 1446 HB3 ALA A 102 14.672 38.837 109.463 1.00 0.00 H ATOM 1447 H ALA A 102 12.883 41.387 111.430 1.00 0.00 H ATOM 1448 N ALA A 103 12.997 38.071 112.452 1.00 28.54 N ATOM 1449 CA ALA A 103 12.869 36.830 113.208 1.00 28.91 C ATOM 1450 C ALA A 103 11.389 36.356 113.175 1.00 28.52 C ATOM 1451 O ALA A 103 11.118 35.177 112.889 1.00 27.81 O ATOM 1452 CB ALA A 103 13.348 36.981 114.571 1.00 30.21 C ATOM 1453 HA ALA A 103 13.495 36.069 112.741 1.00 0.00 H ATOM 1454 HB1 ALA A 103 14.399 37.268 114.556 1.00 0.00 H ATOM 1455 HB2 ALA A 103 12.767 37.753 115.076 1.00 0.00 H ATOM 1456 HB3 ALA A 103 13.236 36.035 115.101 1.00 0.00 H ATOM 1457 H ALA A 103 13.352 38.924 112.930 1.00 0.00 H ATOM 1458 N GLU A 104 10.438 37.276 113.342 1.00 28.26 N ATOM 1459 CA GLU A 104 9.004 36.878 113.242 1.00 27.13 C ATOM 1460 C GLU A 104 8.669 36.354 111.873 1.00 27.82 C ATOM 1461 O GLU A 104 8.015 35.320 111.734 1.00 28.05 O ATOM 1462 CB GLU A 104 8.067 38.010 113.601 1.00 26.12 C ATOM 1463 CG GLU A 104 8.213 38.446 115.058 1.00 25.79 C ATOM 1464 CD GLU A 104 7.376 39.542 115.481 1.00 30.40 C ATOM 1465 OE1 GLU A 104 7.325 40.554 114.755 1.00 23.93 O ATOM 1466 OE2 GLU A 104 6.749 39.488 116.562 1.00 27.53 O ATOM 1467 HA GLU A 104 8.861 36.078 113.969 1.00 0.00 H ATOM 1468 HB2 GLU A 104 8.284 38.862 112.957 1.00 0.00 H ATOM 1469 HB3 GLU A 104 7.041 37.682 113.434 1.00 0.00 H ATOM 1470 HG2 GLU A 104 7.980 37.587 115.688 1.00 0.00 H ATOM 1471 HG3 GLU A 104 9.251 38.740 115.215 1.00 0.00 H ATOM 1472 H GLU A 104 10.695 38.264 113.541 1.00 0.00 H ATOM 1473 N LEU A 105 9.101 37.026 110.820 1.00 27.58 N ATOM 1474 CA LEU A 105 8.802 36.539 109.492 1.00 28.13 C ATOM 1475 C LEU A 105 9.410 35.133 109.270 1.00 28.69 C ATOM 1476 O LEU A 105 8.776 34.246 108.668 1.00 30.12 O ATOM 1477 CB LEU A 105 9.275 37.518 108.433 1.00 27.06 C ATOM 1478 CG LEU A 105 9.038 37.092 106.996 1.00 30.71 C ATOM 1479 CD1 LEU A 105 7.542 36.879 106.717 1.00 32.37 C ATOM 1480 CD2 LEU A 105 9.571 38.185 106.098 1.00 32.53 C ATOM 1481 HA LEU A 105 7.719 36.452 109.400 1.00 0.00 H ATOM 1482 HB2 LEU A 105 8.756 38.463 108.593 1.00 0.00 H ATOM 1483 HB3 LEU A 105 10.347 37.666 108.567 1.00 0.00 H ATOM 1484 HG LEU A 105 9.546 36.146 106.809 1.00 0.00 H ATOM 1485 HD21 LEU A 105 9.045 39.116 106.309 1.00 0.00 H ATOM 1486 HD22 LEU A 105 10.637 38.318 106.283 1.00 0.00 H ATOM 1487 HD23 LEU A 105 9.414 37.906 105.056 1.00 0.00 H ATOM 1488 HD11 LEU A 105 7.157 36.102 107.378 1.00 0.00 H ATOM 1489 HD12 LEU A 105 7.004 37.810 106.897 1.00 0.00 H ATOM 1490 HD13 LEU A 105 7.407 36.575 105.679 1.00 0.00 H ATOM 1491 H LEU A 105 9.652 37.899 110.946 1.00 0.00 H ATOM 1492 N ARG A 106 10.627 34.946 109.720 1.00 29.17 N ATOM 1493 CA ARG A 106 11.310 33.676 109.553 1.00 30.69 C ATOM 1494 C ARG A 106 10.568 32.552 110.302 1.00 30.34 C ATOM 1495 O ARG A 106 10.516 31.427 109.810 1.00 29.34 O ATOM 1496 CB ARG A 106 12.699 33.765 110.170 1.00 31.32 C ATOM 1497 CG ARG A 106 13.372 32.409 110.359 1.00 39.17 C ATOM 1498 CD ARG A 106 14.900 32.452 110.501 1.00 45.35 C ATOM 1499 NE ARG A 106 15.520 32.950 109.291 1.00 53.82 N ATOM 1500 CZ ARG A 106 16.837 33.062 109.101 1.00 61.83 C ATOM 1501 NH1 ARG A 106 17.697 32.691 110.040 1.00 66.31 N ATOM 1502 NH2 ARG A 106 17.306 33.532 107.965 1.00 63.81 N ATOM 1503 HA ARG A 106 11.352 33.460 108.486 1.00 0.00 H ATOM 1504 HB2 ARG A 106 13.327 34.374 109.519 1.00 0.00 H ATOM 1505 HB3 ARG A 106 12.613 34.246 111.144 1.00 0.00 H ATOM 1506 HG2 ARG A 106 12.962 31.951 111.259 1.00 0.00 H ATOM 1507 HG3 ARG A 106 13.131 31.789 109.496 1.00 0.00 H ATOM 1508 HD2 ARG A 106 15.268 31.446 110.702 1.00 0.00 H ATOM 1509 HD3 ARG A 106 15.163 33.107 111.332 1.00 0.00 H ATOM 1510 HE ARG A 106 14.894 33.242 108.513 1.00 0.00 H ATOM 1511 HH12 ARG A 106 18.720 32.785 109.875 1.00 0.00 H ATOM 1512 HH11 ARG A 106 17.349 32.306 110.941 1.00 0.00 H ATOM 1513 HH22 ARG A 106 18.333 33.617 107.822 1.00 0.00 H ATOM 1514 HH21 ARG A 106 16.650 33.818 107.210 1.00 0.00 H ATOM 1515 H ARG A 106 11.114 35.725 110.208 1.00 0.00 H ATOM 1516 N HIS A 107 10.092 32.886 111.502 1.00 29.99 N ATOM 1517 CA HIS A 107 9.295 31.969 112.303 1.00 32.45 C ATOM 1518 C HIS A 107 8.029 31.513 111.544 1.00 31.21 C ATOM 1519 O HIS A 107 7.732 30.325 111.518 1.00 30.42 O ATOM 1520 CB HIS A 107 8.915 32.600 113.632 1.00 33.72 C ATOM 1521 CG HIS A 107 10.081 32.889 114.535 1.00 41.34 C ATOM 1522 ND1 HIS A 107 11.389 32.560 114.229 1.00 50.42 N ATOM 1523 CD2 HIS A 107 10.137 33.598 115.688 1.00 47.61 C ATOM 1524 CE1 HIS A 107 12.189 33.009 115.181 1.00 50.36 C ATOM 1525 NE2 HIS A 107 11.453 33.641 116.078 1.00 48.73 N ATOM 1526 HA HIS A 107 9.907 31.089 112.499 1.00 0.00 H ATOM 1527 HB2 HIS A 107 8.399 33.538 113.430 1.00 0.00 H ATOM 1528 HB3 HIS A 107 8.240 31.920 114.152 1.00 0.00 H ATOM 1529 HD2 HIS A 107 9.294 34.051 116.210 1.00 0.00 H ATOM 1530 HE1 HIS A 107 13.271 32.880 115.219 1.00 0.00 H ATOM 1531 H HIS A 107 10.297 33.834 111.878 1.00 0.00 H ATOM 1532 N VAL A 108 7.291 32.452 110.942 1.00 28.69 N ATOM 1533 CA VAL A 108 6.124 32.069 110.139 1.00 29.14 C ATOM 1534 C VAL A 108 6.501 31.190 108.956 1.00 30.97 C ATOM 1535 O VAL A 108 5.851 30.135 108.708 1.00 30.66 O ATOM 1536 CB VAL A 108 5.358 33.263 109.676 1.00 27.66 C ATOM 1537 CG1 VAL A 108 4.242 32.908 108.751 1.00 29.71 C ATOM 1538 CG2 VAL A 108 4.821 33.966 110.903 1.00 26.80 C ATOM 1539 HA VAL A 108 5.481 31.482 110.795 1.00 0.00 H ATOM 1540 HB VAL A 108 6.025 33.912 109.108 1.00 0.00 H ATOM 1541 HG11 VAL A 108 4.646 32.408 107.871 1.00 0.00 H ATOM 1542 HG12 VAL A 108 3.547 32.242 109.262 1.00 0.00 H ATOM 1543 HG13 VAL A 108 3.721 33.816 108.447 1.00 0.00 H ATOM 1544 HG21 VAL A 108 4.170 33.287 111.454 1.00 0.00 H ATOM 1545 HG22 VAL A 108 5.652 34.270 111.539 1.00 0.00 H ATOM 1546 HG23 VAL A 108 4.255 34.846 110.597 1.00 0.00 H ATOM 1547 H VAL A 108 7.545 33.455 111.043 1.00 0.00 H ATOM 1548 N MET A 109 7.548 31.569 108.230 1.00 31.34 N ATOM 1549 CA MET A 109 7.926 30.778 107.058 1.00 32.99 C ATOM 1550 C MET A 109 8.365 29.346 107.459 1.00 34.17 C ATOM 1551 O MET A 109 8.115 28.360 106.705 1.00 35.12 O ATOM 1552 CB MET A 109 9.002 31.525 106.244 1.00 34.96 C ATOM 1553 CG MET A 109 8.507 32.855 105.661 1.00 35.70 C ATOM 1554 SD MET A 109 7.216 32.587 104.470 1.00 47.01 S ATOM 1555 CE MET A 109 6.122 33.632 104.888 1.00 45.48 C ATOM 1556 HA MET A 109 7.054 30.656 106.416 1.00 0.00 H ATOM 1557 HB2 MET A 109 9.851 31.728 106.896 1.00 0.00 H ATOM 1558 HB3 MET A 109 9.322 30.884 105.422 1.00 0.00 H ATOM 1559 HG2 MET A 109 9.340 33.364 105.176 1.00 0.00 H ATOM 1560 HG3 MET A 109 8.123 33.478 106.469 1.00 0.00 H ATOM 1561 HE1 MET A 109 5.798 33.429 105.909 1.00 0.00 H ATOM 1562 HE2 MET A 109 6.541 34.637 104.832 1.00 0.00 H ATOM 1563 HE3 MET A 109 5.270 33.554 104.213 1.00 0.00 H ATOM 1564 H MET A 109 8.091 32.416 108.491 1.00 0.00 H ATOM 1565 N THR A 110 9.041 29.228 108.581 1.00 34.31 N ATOM 1566 CA THR A 110 9.487 27.939 109.087 1.00 36.64 C ATOM 1567 C THR A 110 8.319 27.057 109.514 1.00 38.19 C ATOM 1568 O THR A 110 8.350 25.839 109.360 1.00 36.90 O ATOM 1569 CB THR A 110 10.341 28.162 110.320 1.00 37.41 C ATOM 1570 OG1 THR A 110 11.496 28.899 109.964 1.00 36.57 O ATOM 1571 CG2 THR A 110 10.893 26.857 110.917 1.00 38.84 C ATOM 1572 HA THR A 110 10.036 27.449 108.283 1.00 0.00 H ATOM 1573 HB THR A 110 9.693 28.666 111.037 1.00 0.00 H ATOM 1574 HG1 THR A 110 11.225 29.773 109.586 1.00 0.00 H ATOM 1575 HG23 THR A 110 10.063 26.219 111.223 1.00 0.00 H ATOM 1576 HG21 THR A 110 11.492 26.341 110.167 1.00 0.00 H ATOM 1577 HG22 THR A 110 11.513 27.089 111.783 1.00 0.00 H ATOM 1578 H THR A 110 9.264 30.086 109.125 1.00 0.00 H ATOM 1579 N ASN A 111 7.281 27.660 110.069 1.00 37.75 N ATOM 1580 CA ASN A 111 6.093 26.864 110.422 1.00 39.54 C ATOM 1581 C ASN A 111 5.371 26.424 109.160 1.00 41.22 C ATOM 1582 O ASN A 111 4.585 25.450 109.173 1.00 41.51 O ATOM 1583 CB ASN A 111 5.175 27.639 111.373 1.00 38.72 C ATOM 1584 CG ASN A 111 4.350 26.701 112.304 1.00 41.41 C ATOM 1585 OD1 ASN A 111 4.896 25.810 112.961 1.00 39.17 O ATOM 1586 ND2 ASN A 111 3.046 26.905 112.330 1.00 35.21 N ATOM 1587 HA ASN A 111 6.410 25.968 110.955 1.00 0.00 H ATOM 1588 HB2 ASN A 111 5.787 28.296 111.992 1.00 0.00 H ATOM 1589 HB3 ASN A 111 4.484 28.239 110.781 1.00 0.00 H ATOM 1590 HD22 ASN A 111 2.628 27.668 111.760 1.00 0.00 H ATOM 1591 HD21 ASN A 111 2.437 26.303 112.920 1.00 0.00 H ATOM 1592 H ASN A 111 7.303 28.683 110.254 1.00 0.00 H ATOM 1593 N LEU A 112 5.613 27.137 108.064 1.00 42.86 N ATOM 1594 CA LEU A 112 5.029 26.810 106.776 1.00 46.01 C ATOM 1595 C LEU A 112 5.870 25.767 106.039 1.00 48.11 C ATOM 1596 O LEU A 112 5.590 25.462 104.868 1.00 46.95 O ATOM 1597 CB LEU A 112 4.892 28.050 105.881 1.00 45.87 C ATOM 1598 CG LEU A 112 3.672 28.926 106.127 1.00 47.80 C ATOM 1599 CD1 LEU A 112 3.737 30.217 105.360 1.00 48.95 C ATOM 1600 CD2 LEU A 112 2.447 28.197 105.705 1.00 50.71 C ATOM 1601 HA LEU A 112 4.037 26.407 106.980 1.00 0.00 H ATOM 1602 HB2 LEU A 112 5.779 28.666 106.028 1.00 0.00 H ATOM 1603 HB3 LEU A 112 4.855 27.711 104.846 1.00 0.00 H ATOM 1604 HG LEU A 112 3.649 29.157 107.192 1.00 0.00 H ATOM 1605 HD21 LEU A 112 2.516 27.957 104.644 1.00 0.00 H ATOM 1606 HD22 LEU A 112 2.357 27.276 106.282 1.00 0.00 H ATOM 1607 HD23 LEU A 112 1.573 28.825 105.881 1.00 0.00 H ATOM 1608 HD11 LEU A 112 4.623 30.775 105.665 1.00 0.00 H ATOM 1609 HD12 LEU A 112 3.791 30.002 104.293 1.00 0.00 H ATOM 1610 HD13 LEU A 112 2.845 30.807 105.568 1.00 0.00 H ATOM 1611 H LEU A 112 6.245 27.960 108.132 1.00 0.00 H ATOM 1612 N GLY A 113 6.914 25.270 106.705 1.00 50.23 N ATOM 1613 CA GLY A 113 7.808 24.278 106.114 1.00 52.94 C ATOM 1614 C GLY A 113 8.812 24.840 105.118 1.00 55.13 C ATOM 1615 O GLY A 113 9.472 24.083 104.395 1.00 55.47 O ATOM 1616 HA3 GLY A 113 7.199 23.535 105.600 1.00 0.00 H ATOM 1617 HA2 GLY A 113 8.362 23.797 106.920 1.00 0.00 H ATOM 1618 H GLY A 113 7.097 25.599 107.675 1.00 0.00 H ATOM 1619 N GLU A 114 8.964 26.162 105.096 1.00 57.36 N ATOM 1620 CA GLU A 114 9.912 26.799 104.186 1.00 59.00 C ATOM 1621 C GLU A 114 11.122 27.331 104.937 1.00 59.01 C ATOM 1622 O GLU A 114 11.018 28.243 105.735 1.00 60.24 O ATOM 1623 CB GLU A 114 9.220 27.903 103.384 1.00 59.35 C ATOM 1624 CG GLU A 114 7.862 27.489 102.814 1.00 62.87 C ATOM 1625 CD GLU A 114 7.871 26.237 101.921 1.00 67.73 C ATOM 1626 OE1 GLU A 114 8.719 26.140 101.004 1.00 69.58 O ATOM 1627 OE2 GLU A 114 6.997 25.341 102.122 1.00 70.27 O ATOM 1628 HA GLU A 114 10.274 26.047 103.484 1.00 0.00 H ATOM 1629 HB2 GLU A 114 9.072 28.762 104.038 1.00 0.00 H ATOM 1630 HB3 GLU A 114 9.870 28.186 102.556 1.00 0.00 H ATOM 1631 HG2 GLU A 114 7.190 27.300 103.651 1.00 0.00 H ATOM 1632 HG3 GLU A 114 7.478 28.320 102.223 1.00 0.00 H ATOM 1633 H GLU A 114 8.398 26.752 105.738 1.00 0.00 H ATOM 1634 N LYS A 115 12.277 26.746 104.685 1.00 59.66 N ATOM 1635 CA LYS A 115 13.528 27.202 105.304 1.00 60.14 C ATOM 1636 C LYS A 115 14.085 28.436 104.569 1.00 59.74 C ATOM 1637 O LYS A 115 14.151 28.476 103.339 1.00 59.82 O ATOM 1638 CB LYS A 115 14.567 26.059 105.319 1.00 60.71 C ATOM 1639 HA LYS A 115 13.317 27.491 106.334 1.00 0.00 H ATOM 1640 HB2 LYS A 115 14.173 25.219 105.890 1.00 0.00 H ATOM 1641 HB3 LYS A 115 14.771 25.741 104.296 1.00 0.00 H ATOM 1642 H LYS A 115 12.302 25.939 104.029 1.00 0.00 H ATOM 1643 N LEU A 116 14.476 29.458 105.316 1.00 59.28 N ATOM 1644 CA LEU A 116 14.970 30.660 104.654 1.00 58.16 C ATOM 1645 C LEU A 116 16.358 31.043 105.083 1.00 56.82 C ATOM 1646 O LEU A 116 16.715 30.889 106.242 1.00 56.54 O ATOM 1647 CB LEU A 116 14.035 31.816 104.913 1.00 57.74 C ATOM 1648 CG LEU A 116 12.747 31.712 104.121 1.00 59.04 C ATOM 1649 CD1 LEU A 116 11.905 32.898 104.385 1.00 59.62 C ATOM 1650 CD2 LEU A 116 13.052 31.635 102.651 1.00 61.49 C ATOM 1651 HA LEU A 116 15.010 30.430 103.589 1.00 0.00 H ATOM 1652 HB2 LEU A 116 13.791 31.837 105.975 1.00 0.00 H ATOM 1653 HB3 LEU A 116 14.540 32.742 104.639 1.00 0.00 H ATOM 1654 HG LEU A 116 12.216 30.810 104.425 1.00 0.00 H ATOM 1655 HD21 LEU A 116 13.590 32.532 102.345 1.00 0.00 H ATOM 1656 HD22 LEU A 116 13.667 30.757 102.454 1.00 0.00 H ATOM 1657 HD23 LEU A 116 12.120 31.561 102.091 1.00 0.00 H ATOM 1658 HD11 LEU A 116 11.674 32.948 105.449 1.00 0.00 H ATOM 1659 HD12 LEU A 116 12.443 33.798 104.086 1.00 0.00 H ATOM 1660 HD13 LEU A 116 10.980 32.820 103.814 1.00 0.00 H ATOM 1661 H LEU A 116 14.432 29.404 106.354 1.00 0.00 H ATOM 1662 N THR A 117 17.121 31.578 104.131 1.00 56.04 N ATOM 1663 CA THR A 117 18.441 32.117 104.442 1.00 55.37 C ATOM 1664 C THR A 117 18.215 33.490 105.002 1.00 54.53 C ATOM 1665 O THR A 117 17.238 34.141 104.678 1.00 52.66 O ATOM 1666 CB THR A 117 19.345 32.217 103.200 1.00 55.50 C ATOM 1667 OG1 THR A 117 18.907 33.275 102.341 1.00 53.34 O ATOM 1668 CG2 THR A 117 19.286 30.949 102.336 1.00 56.05 C ATOM 1669 HA THR A 117 18.948 31.454 105.143 1.00 0.00 H ATOM 1670 HB THR A 117 20.352 32.381 103.585 1.00 0.00 H ATOM 1671 HG1 THR A 117 18.941 34.133 102.833 1.00 0.00 H ATOM 1672 HG23 THR A 117 19.609 30.092 102.928 1.00 0.00 H ATOM 1673 HG21 THR A 117 18.263 30.791 101.994 1.00 0.00 H ATOM 1674 HG22 THR A 117 19.944 31.066 101.475 1.00 0.00 H ATOM 1675 H THR A 117 16.771 31.612 103.152 1.00 0.00 H ATOM 1676 N ASP A 118 19.113 33.942 105.855 1.00 54.81 N ATOM 1677 CA ASP A 118 18.980 35.295 106.415 1.00 55.09 C ATOM 1678 C ASP A 118 18.749 36.314 105.299 1.00 53.55 C ATOM 1679 O ASP A 118 18.037 37.308 105.474 1.00 53.86 O ATOM 1680 CB ASP A 118 20.218 35.679 107.227 1.00 56.22 C ATOM 1681 CG ASP A 118 20.456 34.769 108.392 1.00 59.80 C ATOM 1682 OD1 ASP A 118 19.519 34.539 109.180 1.00 64.08 O ATOM 1683 OD2 ASP A 118 21.565 34.229 108.608 1.00 67.23 O ATOM 1684 HA ASP A 118 18.118 35.298 107.082 1.00 0.00 H ATOM 1685 HB2 ASP A 118 21.089 35.642 106.573 1.00 0.00 H ATOM 1686 HB3 ASP A 118 20.088 36.695 107.600 1.00 0.00 H ATOM 1687 H ASP A 118 19.916 33.341 106.132 1.00 0.00 H ATOM 1688 N GLU A 119 19.343 36.073 104.141 1.00 51.47 N ATOM 1689 CA GLU A 119 19.214 37.014 103.022 1.00 49.99 C ATOM 1690 C GLU A 119 17.818 37.006 102.382 1.00 46.05 C ATOM 1691 O GLU A 119 17.298 38.041 101.958 1.00 42.57 O ATOM 1692 CB GLU A 119 20.255 36.691 101.954 1.00 50.62 C ATOM 1693 CG GLU A 119 21.658 37.081 102.371 1.00 55.84 C ATOM 1694 CD GLU A 119 22.045 36.564 103.746 1.00 60.47 C ATOM 1695 OE1 GLU A 119 21.851 35.338 104.024 1.00 63.52 O ATOM 1696 OE2 GLU A 119 22.566 37.387 104.547 1.00 64.35 O ATOM 1697 HA GLU A 119 19.375 38.010 103.433 1.00 0.00 H ATOM 1698 HB2 GLU A 119 20.234 35.619 101.759 1.00 0.00 H ATOM 1699 HB3 GLU A 119 19.999 37.230 101.042 1.00 0.00 H ATOM 1700 HG2 GLU A 119 22.360 36.679 101.640 1.00 0.00 H ATOM 1701 HG3 GLU A 119 21.727 38.169 102.379 1.00 0.00 H ATOM 1702 H GLU A 119 19.907 35.207 104.023 1.00 0.00 H ATOM 1703 N GLU A 120 17.245 35.821 102.283 1.00 43.18 N ATOM 1704 CA GLU A 120 15.913 35.685 101.728 1.00 42.22 C ATOM 1705 C GLU A 120 14.935 36.452 102.643 1.00 39.37 C ATOM 1706 O GLU A 120 14.101 37.180 102.185 1.00 36.64 O ATOM 1707 CB GLU A 120 15.535 34.209 101.667 1.00 43.56 C ATOM 1708 CG GLU A 120 16.263 33.435 100.603 1.00 47.53 C ATOM 1709 CD GLU A 120 15.850 31.985 100.583 1.00 53.01 C ATOM 1710 OE1 GLU A 120 16.021 31.294 101.629 1.00 55.38 O ATOM 1711 OE2 GLU A 120 15.336 31.563 99.520 1.00 56.84 O ATOM 1712 HA GLU A 120 15.873 36.092 100.718 1.00 0.00 H ATOM 1713 HB2 GLU A 120 15.759 33.757 102.633 1.00 0.00 H ATOM 1714 HB3 GLU A 120 14.465 34.137 101.472 1.00 0.00 H ATOM 1715 HG2 GLU A 120 16.043 33.878 99.632 1.00 0.00 H ATOM 1716 HG3 GLU A 120 17.334 33.494 100.794 1.00 0.00 H ATOM 1717 H GLU A 120 17.755 34.975 102.607 1.00 0.00 H ATOM 1718 N VAL A 121 15.115 36.313 103.943 1.00 38.30 N ATOM 1719 CA VAL A 121 14.221 36.932 104.919 1.00 39.03 C ATOM 1720 C VAL A 121 14.371 38.450 104.914 1.00 38.13 C ATOM 1721 O VAL A 121 13.406 39.191 104.890 1.00 36.26 O ATOM 1722 CB VAL A 121 14.489 36.393 106.290 1.00 39.42 C ATOM 1723 CG1 VAL A 121 13.534 36.999 107.284 1.00 40.92 C ATOM 1724 CG2 VAL A 121 14.387 34.853 106.331 1.00 42.73 C ATOM 1725 HA VAL A 121 13.197 36.688 104.637 1.00 0.00 H ATOM 1726 HB VAL A 121 15.510 36.666 106.556 1.00 0.00 H ATOM 1727 HG11 VAL A 121 13.661 38.081 107.295 1.00 0.00 H ATOM 1728 HG12 VAL A 121 12.511 36.755 106.998 1.00 0.00 H ATOM 1729 HG13 VAL A 121 13.741 36.598 108.276 1.00 0.00 H ATOM 1730 HG21 VAL A 121 13.384 34.549 106.033 1.00 0.00 H ATOM 1731 HG22 VAL A 121 15.117 34.423 105.645 1.00 0.00 H ATOM 1732 HG23 VAL A 121 14.588 34.504 107.344 1.00 0.00 H ATOM 1733 H VAL A 121 15.918 35.746 104.283 1.00 0.00 H ATOM 1734 N ASP A 122 15.618 38.903 104.919 1.00 38.72 N ATOM 1735 CA ASP A 122 15.931 40.319 104.873 1.00 39.53 C ATOM 1736 C ASP A 122 15.362 40.907 103.605 1.00 37.30 C ATOM 1737 O ASP A 122 14.814 41.992 103.615 1.00 35.43 O ATOM 1738 CB ASP A 122 17.496 40.590 104.986 1.00 41.07 C ATOM 1739 CG ASP A 122 18.007 40.515 106.423 1.00 45.93 C ATOM 1740 OD1 ASP A 122 17.258 40.871 107.372 1.00 55.30 O ATOM 1741 OD2 ASP A 122 19.147 40.081 106.732 1.00 54.42 O ATOM 1742 HA ASP A 122 15.475 40.805 105.735 1.00 0.00 H ATOM 1743 HB2 ASP A 122 18.023 39.845 104.389 1.00 0.00 H ATOM 1744 HB3 ASP A 122 17.707 41.584 104.592 1.00 0.00 H ATOM 1745 H ASP A 122 16.400 38.218 104.957 1.00 0.00 H ATOM 1746 N GLU A 123 15.465 40.177 102.497 1.00 37.65 N ATOM 1747 CA GLU A 123 14.929 40.660 101.231 1.00 37.21 C ATOM 1748 C GLU A 123 13.444 40.788 101.337 1.00 34.99 C ATOM 1749 O GLU A 123 12.859 41.660 100.749 1.00 33.83 O ATOM 1750 CB GLU A 123 15.320 39.731 100.066 1.00 39.62 C ATOM 1751 CG GLU A 123 14.829 40.120 98.673 1.00 45.03 C ATOM 1752 CD GLU A 123 15.001 38.991 97.646 1.00 54.98 C ATOM 1753 OE1 GLU A 123 16.102 38.378 97.615 1.00 57.38 O ATOM 1754 OE2 GLU A 123 14.021 38.688 96.876 1.00 60.08 O ATOM 1755 HA GLU A 123 15.358 41.639 101.019 1.00 0.00 H ATOM 1756 HB2 GLU A 123 16.409 39.688 100.031 1.00 0.00 H ATOM 1757 HB3 GLU A 123 14.925 38.740 100.289 1.00 0.00 H ATOM 1758 HG2 GLU A 123 13.772 40.377 98.735 1.00 0.00 H ATOM 1759 HG3 GLU A 123 15.393 40.989 98.334 1.00 0.00 H ATOM 1760 H GLU A 123 15.934 39.250 102.535 1.00 0.00 H ATOM 1761 N MET A 124 12.790 39.877 102.038 1.00 33.80 N ATOM 1762 CA MET A 124 11.336 39.983 102.145 1.00 31.72 C ATOM 1763 C MET A 124 10.952 41.219 102.972 1.00 29.98 C ATOM 1764 O MET A 124 10.056 41.966 102.569 1.00 30.40 O ATOM 1765 CB MET A 124 10.720 38.719 102.767 1.00 31.70 C ATOM 1766 CG MET A 124 10.708 37.534 101.829 1.00 34.46 C ATOM 1767 SD MET A 124 10.158 36.037 102.712 1.00 40.05 S ATOM 1768 CE MET A 124 8.520 36.405 102.597 1.00 38.42 C ATOM 1769 HA MET A 124 10.937 40.087 101.136 1.00 0.00 H ATOM 1770 HB2 MET A 124 11.297 38.453 103.653 1.00 0.00 H ATOM 1771 HB3 MET A 124 9.693 38.941 103.057 1.00 0.00 H ATOM 1772 HG2 MET A 124 11.713 37.373 101.439 1.00 0.00 H ATOM 1773 HG3 MET A 124 10.027 37.736 101.003 1.00 0.00 H ATOM 1774 HE1 MET A 124 8.327 37.356 103.093 1.00 0.00 H ATOM 1775 HE2 MET A 124 8.238 36.477 101.547 1.00 0.00 H ATOM 1776 HE3 MET A 124 7.938 35.619 103.078 1.00 0.00 H ATOM 1777 H MET A 124 13.300 39.100 102.504 1.00 0.00 H ATOM 1778 N ILE A 125 11.648 41.467 104.076 1.00 28.78 N ATOM 1779 CA ILE A 125 11.317 42.647 104.916 1.00 31.62 C ATOM 1780 C ILE A 125 11.506 43.929 104.066 1.00 32.52 C ATOM 1781 O ILE A 125 10.681 44.803 104.002 1.00 30.96 O ATOM 1782 CB ILE A 125 12.232 42.675 106.200 1.00 31.85 C ATOM 1783 CG1 ILE A 125 11.922 41.516 107.173 1.00 33.57 C ATOM 1784 CG2 ILE A 125 12.092 43.973 106.930 1.00 33.47 C ATOM 1785 CD1 ILE A 125 10.505 41.582 107.767 1.00 33.88 C ATOM 1786 HA ILE A 125 10.281 42.590 105.251 1.00 0.00 H ATOM 1787 HB ILE A 125 13.256 42.558 105.844 1.00 0.00 H ATOM 1788 HG12 ILE A 125 12.028 40.574 106.635 1.00 0.00 H ATOM 1789 HG13 ILE A 125 12.642 41.549 107.991 1.00 0.00 H ATOM 1790 HD11 ILE A 125 10.387 42.515 108.319 1.00 0.00 H ATOM 1791 HD12 ILE A 125 9.772 41.539 106.961 1.00 0.00 H ATOM 1792 HD13 ILE A 125 10.355 40.738 108.441 1.00 0.00 H ATOM 1793 HG21 ILE A 125 12.386 44.792 106.273 1.00 0.00 H ATOM 1794 HG22 ILE A 125 11.054 44.106 107.237 1.00 0.00 H ATOM 1795 HG23 ILE A 125 12.734 43.964 107.811 1.00 0.00 H ATOM 1796 H ILE A 125 12.426 40.834 104.353 1.00 0.00 H ATOM 1797 N ARG A 126 12.599 43.923 103.318 1.00 36.29 N ATOM 1798 CA ARG A 126 12.993 45.056 102.482 1.00 39.42 C ATOM 1799 C ARG A 126 11.898 45.459 101.524 1.00 40.17 C ATOM 1800 O ARG A 126 11.586 46.644 101.417 1.00 39.52 O ATOM 1801 CB ARG A 126 14.348 44.701 101.852 1.00 41.19 C ATOM 1802 CG ARG A 126 15.035 45.758 101.064 1.00 46.49 C ATOM 1803 CD ARG A 126 16.504 45.943 101.464 1.00 51.92 C ATOM 1804 NE ARG A 126 17.214 44.717 101.801 1.00 53.63 N ATOM 1805 CZ ARG A 126 17.407 43.720 100.952 1.00 56.62 C ATOM 1806 NH1 ARG A 126 16.934 43.800 99.713 1.00 60.65 N ATOM 1807 NH2 ARG A 126 18.047 42.634 101.334 1.00 56.65 N ATOM 1808 HA ARG A 126 13.132 45.967 103.065 1.00 0.00 H ATOM 1809 HB2 ARG A 126 15.018 44.408 102.660 1.00 0.00 H ATOM 1810 HB3 ARG A 126 14.188 43.851 101.189 1.00 0.00 H ATOM 1811 HG2 ARG A 126 14.993 45.488 100.009 1.00 0.00 H ATOM 1812 HG3 ARG A 126 14.511 46.702 101.217 1.00 0.00 H ATOM 1813 HD2 ARG A 126 16.537 46.602 102.332 1.00 0.00 H ATOM 1814 HD3 ARG A 126 17.024 46.416 100.631 1.00 0.00 H ATOM 1815 HE ARG A 126 17.591 44.619 102.765 1.00 0.00 H ATOM 1816 HH12 ARG A 126 17.086 43.016 99.047 1.00 0.00 H ATOM 1817 HH11 ARG A 126 16.412 44.646 99.409 1.00 0.00 H ATOM 1818 HH22 ARG A 126 18.195 41.854 100.662 1.00 0.00 H ATOM 1819 HH21 ARG A 126 18.404 42.556 102.308 1.00 0.00 H ATOM 1820 H ARG A 126 13.203 43.076 103.326 1.00 0.00 H ATOM 1821 N GLU A 127 11.209 44.452 100.952 1.00 40.07 N ATOM 1822 CA GLU A 127 10.084 44.662 100.067 1.00 41.20 C ATOM 1823 C GLU A 127 8.986 45.467 100.715 1.00 39.11 C ATOM 1824 O GLU A 127 8.413 46.342 100.090 1.00 41.48 O ATOM 1825 CB GLU A 127 9.525 43.270 99.531 1.00 43.14 C ATOM 1826 CG GLU A 127 8.164 43.276 98.840 1.00 47.24 C ATOM 1827 CD GLU A 127 7.471 41.890 98.708 1.00 50.98 C ATOM 1828 OE1 GLU A 127 8.141 40.825 98.551 1.00 55.18 O ATOM 1829 OE2 GLU A 127 6.221 41.857 98.764 1.00 50.98 O ATOM 1830 HA GLU A 127 10.446 45.245 99.220 1.00 0.00 H ATOM 1831 HB2 GLU A 127 10.251 42.879 98.819 1.00 0.00 H ATOM 1832 HB3 GLU A 127 9.455 42.596 100.384 1.00 0.00 H ATOM 1833 HG2 GLU A 127 7.502 43.929 99.408 1.00 0.00 H ATOM 1834 HG3 GLU A 127 8.299 43.681 97.837 1.00 0.00 H ATOM 1835 H GLU A 127 11.501 43.475 101.157 1.00 0.00 H ATOM 1836 N ALA A 128 8.618 45.189 101.947 1.00 36.00 N ATOM 1837 CA ALA A 128 7.503 45.927 102.507 1.00 34.11 C ATOM 1838 C ALA A 128 7.932 47.072 103.375 1.00 31.50 C ATOM 1839 O ALA A 128 7.147 47.876 103.736 1.00 31.06 O ATOM 1840 CB ALA A 128 6.727 45.055 103.324 1.00 37.19 C ATOM 1841 HA ALA A 128 6.939 46.322 101.662 1.00 0.00 H ATOM 1842 HB1 ALA A 128 6.353 44.229 102.719 1.00 0.00 H ATOM 1843 HB2 ALA A 128 7.349 44.664 104.129 1.00 0.00 H ATOM 1844 HB3 ALA A 128 5.887 45.607 103.747 1.00 0.00 H ATOM 1845 H ALA A 128 9.112 44.462 102.502 1.00 0.00 H ATOM 1846 N ASP A 129 9.189 47.092 103.787 1.00 29.98 N ATOM 1847 CA ASP A 129 9.609 48.162 104.710 1.00 28.69 C ATOM 1848 C ASP A 129 9.687 49.453 103.916 1.00 30.22 C ATOM 1849 O ASP A 129 10.519 49.586 103.064 1.00 34.51 O ATOM 1850 CB ASP A 129 10.964 47.758 105.229 1.00 28.46 C ATOM 1851 CG ASP A 129 11.560 48.746 106.250 1.00 26.26 C ATOM 1852 OD1 ASP A 129 10.882 49.590 106.800 1.00 23.33 O ATOM 1853 OD2 ASP A 129 12.765 48.685 106.511 1.00 25.57 O ATOM 1854 HA ASP A 129 8.920 48.310 105.542 1.00 0.00 H ATOM 1855 HB2 ASP A 129 10.872 46.783 105.707 1.00 0.00 H ATOM 1856 HB3 ASP A 129 11.648 47.683 104.383 1.00 0.00 H ATOM 1857 H ASP A 129 9.865 46.370 103.467 1.00 0.00 H ATOM 1858 N ILE A 130 8.847 50.402 104.194 1.00 31.47 N ATOM 1859 CA ILE A 130 8.900 51.672 103.514 1.00 30.81 C ATOM 1860 C ILE A 130 9.810 52.664 104.226 1.00 30.83 C ATOM 1861 O ILE A 130 10.586 53.379 103.578 1.00 29.62 O ATOM 1862 CB ILE A 130 7.471 52.233 103.459 1.00 31.28 C ATOM 1863 CG1 ILE A 130 6.573 51.325 102.644 1.00 33.41 C ATOM 1864 CG2 ILE A 130 7.457 53.636 102.927 1.00 30.73 C ATOM 1865 CD1 ILE A 130 5.077 51.810 102.682 1.00 36.34 C ATOM 1866 HA ILE A 130 9.309 51.522 102.515 1.00 0.00 H ATOM 1867 HB ILE A 130 7.081 52.268 104.476 1.00 0.00 H ATOM 1868 HG12 ILE A 130 6.918 51.320 101.610 1.00 0.00 H ATOM 1869 HG13 ILE A 130 6.629 50.315 103.049 1.00 0.00 H ATOM 1870 HD11 ILE A 130 4.723 51.812 103.713 1.00 0.00 H ATOM 1871 HD12 ILE A 130 5.013 52.818 102.273 1.00 0.00 H ATOM 1872 HD13 ILE A 130 4.462 51.135 102.087 1.00 0.00 H ATOM 1873 HG21 ILE A 130 8.057 54.275 103.575 1.00 0.00 H ATOM 1874 HG22 ILE A 130 7.873 53.645 101.920 1.00 0.00 H ATOM 1875 HG23 ILE A 130 6.431 54.003 102.901 1.00 0.00 H ATOM 1876 H ILE A 130 8.121 50.243 104.922 1.00 0.00 H ATOM 1877 N ASP A 131 9.665 52.800 105.558 1.00 30.35 N ATOM 1878 CA ASP A 131 10.456 53.831 106.246 1.00 30.15 C ATOM 1879 C ASP A 131 11.947 53.483 106.467 1.00 28.89 C ATOM 1880 O ASP A 131 12.752 54.337 106.813 1.00 28.34 O ATOM 1881 CB ASP A 131 9.758 54.311 107.516 1.00 29.56 C ATOM 1882 CG ASP A 131 9.549 53.189 108.511 1.00 31.32 C ATOM 1883 OD1 ASP A 131 8.667 53.300 109.408 1.00 33.62 O ATOM 1884 OD2 ASP A 131 10.215 52.141 108.418 1.00 22.79 O ATOM 1885 HA ASP A 131 10.499 54.670 105.551 1.00 0.00 H ATOM 1886 HB2 ASP A 131 10.368 55.085 107.982 1.00 0.00 H ATOM 1887 HB3 ASP A 131 8.787 54.728 107.248 1.00 0.00 H ATOM 1888 H ASP A 131 9.009 52.190 106.087 1.00 0.00 H ATOM 1889 N GLY A 132 12.309 52.237 106.227 1.00 26.53 N ATOM 1890 CA GLY A 132 13.671 51.757 106.347 1.00 26.81 C ATOM 1891 C GLY A 132 14.154 51.487 107.776 1.00 26.01 C ATOM 1892 O GLY A 132 15.328 51.310 107.989 1.00 25.28 O ATOM 1893 HA3 GLY A 132 14.330 52.504 105.905 1.00 0.00 H ATOM 1894 HA2 GLY A 132 13.750 50.827 105.785 1.00 0.00 H ATOM 1895 H GLY A 132 11.575 51.561 105.935 1.00 0.00 H ATOM 1896 N ASP A 133 13.234 51.330 108.729 1.00 25.19 N ATOM 1897 CA ASP A 133 13.628 50.899 110.078 1.00 25.37 C ATOM 1898 C ASP A 133 13.980 49.441 110.194 1.00 24.48 C ATOM 1899 O ASP A 133 14.411 49.000 111.261 1.00 26.37 O ATOM 1900 CB ASP A 133 12.619 51.305 111.150 1.00 24.52 C ATOM 1901 CG ASP A 133 11.314 50.505 111.049 1.00 24.56 C ATOM 1902 OD1 ASP A 133 10.462 50.692 111.954 1.00 25.56 O ATOM 1903 OD2 ASP A 133 11.119 49.703 110.099 1.00 22.36 O ATOM 1904 HA ASP A 133 14.553 51.445 110.263 1.00 0.00 H ATOM 1905 HB2 ASP A 133 13.061 51.134 112.132 1.00 0.00 H ATOM 1906 HB3 ASP A 133 12.391 52.365 111.035 1.00 0.00 H ATOM 1907 H ASP A 133 12.233 51.514 108.516 1.00 0.00 H ATOM 1908 N GLY A 134 13.813 48.665 109.108 1.00 24.63 N ATOM 1909 CA GLY A 134 14.127 47.244 109.120 1.00 23.12 C ATOM 1910 C GLY A 134 12.995 46.365 109.653 1.00 24.18 C ATOM 1911 O GLY A 134 13.207 45.205 109.814 1.00 23.41 O ATOM 1912 HA3 GLY A 134 15.005 47.091 109.747 1.00 0.00 H ATOM 1913 HA2 GLY A 134 14.352 46.933 108.100 1.00 0.00 H ATOM 1914 H GLY A 134 13.448 49.093 108.233 1.00 0.00 H ATOM 1915 N GLN A 135 11.832 46.943 109.949 1.00 24.00 N ATOM 1916 CA GLN A 135 10.696 46.197 110.385 1.00 25.27 C ATOM 1917 C GLN A 135 9.520 46.635 109.548 1.00 24.79 C ATOM 1918 O GLN A 135 9.536 47.682 108.887 1.00 25.55 O ATOM 1919 CB GLN A 135 10.423 46.398 111.904 1.00 25.24 C ATOM 1920 CG GLN A 135 11.614 46.054 112.787 1.00 28.10 C ATOM 1921 CD GLN A 135 11.217 45.902 114.221 1.00 24.70 C ATOM 1922 OE1 GLN A 135 10.865 46.917 114.894 1.00 29.63 O ATOM 1923 NE2 GLN A 135 11.085 44.699 114.654 1.00 26.67 N ATOM 1924 HA GLN A 135 10.876 45.130 110.254 1.00 0.00 H ATOM 1925 HB2 GLN A 135 10.159 47.442 112.072 1.00 0.00 H ATOM 1926 HB3 GLN A 135 9.586 45.762 112.191 1.00 0.00 H ATOM 1927 HG2 GLN A 135 12.052 45.118 112.441 1.00 0.00 H ATOM 1928 HG3 GLN A 135 12.354 46.851 112.708 1.00 0.00 H ATOM 1929 HE22 GLN A 135 11.389 43.898 114.065 1.00 0.00 H ATOM 1930 HE21 GLN A 135 10.674 44.527 115.594 1.00 0.00 H ATOM 1931 H GLN A 135 11.749 47.976 109.859 1.00 0.00 H ATOM 1932 N VAL A 136 8.432 45.878 109.668 1.00 25.98 N ATOM 1933 CA VAL A 136 7.194 46.168 108.941 1.00 24.67 C ATOM 1934 C VAL A 136 6.105 46.465 109.940 1.00 25.73 C ATOM 1935 O VAL A 136 5.682 45.565 110.680 1.00 24.93 O ATOM 1936 CB VAL A 136 6.780 45.026 108.102 1.00 25.32 C ATOM 1937 CG1 VAL A 136 5.437 45.315 107.385 1.00 25.55 C ATOM 1938 CG2 VAL A 136 7.803 44.748 107.084 1.00 27.40 C ATOM 1939 HA VAL A 136 7.368 47.024 108.288 1.00 0.00 H ATOM 1940 HB VAL A 136 6.657 44.164 108.758 1.00 0.00 H ATOM 1941 HG11 VAL A 136 4.662 45.500 108.129 1.00 0.00 H ATOM 1942 HG12 VAL A 136 5.548 46.193 106.748 1.00 0.00 H ATOM 1943 HG13 VAL A 136 5.160 44.455 106.775 1.00 0.00 H ATOM 1944 HG21 VAL A 136 7.934 45.627 106.453 1.00 0.00 H ATOM 1945 HG22 VAL A 136 8.746 44.508 107.575 1.00 0.00 H ATOM 1946 HG23 VAL A 136 7.485 43.904 106.472 1.00 0.00 H ATOM 1947 H VAL A 136 8.462 45.052 110.300 1.00 0.00 H ATOM 1948 N ASN A 137 5.654 47.720 109.940 1.00 24.64 N ATOM 1949 CA ASN A 137 4.621 48.211 110.839 1.00 25.66 C ATOM 1950 C ASN A 137 3.264 47.942 110.136 1.00 25.11 C ATOM 1951 O ASN A 137 3.275 47.445 108.965 1.00 24.04 O ATOM 1952 CB ASN A 137 4.802 49.672 111.276 1.00 26.80 C ATOM 1953 CG ASN A 137 4.634 50.688 110.162 1.00 28.81 C ATOM 1954 OD1 ASN A 137 4.023 50.439 109.170 1.00 26.84 O ATOM 1955 ND2 ASN A 137 5.096 51.898 110.410 1.00 28.53 N ATOM 1956 HA ASN A 137 4.677 47.679 111.789 1.00 0.00 H ATOM 1957 HB2 ASN A 137 4.066 49.890 112.050 1.00 0.00 H ATOM 1958 HB3 ASN A 137 5.805 49.782 111.689 1.00 0.00 H ATOM 1959 HD22 ASN A 137 5.626 52.083 111.286 1.00 0.00 H ATOM 1960 HD21 ASN A 137 4.930 52.667 109.730 1.00 0.00 H ATOM 1961 H ASN A 137 6.065 48.387 109.257 1.00 0.00 H ATOM 1962 N TYR A 138 2.165 48.246 110.813 1.00 26.14 N ATOM 1963 CA TYR A 138 0.824 47.923 110.274 1.00 26.25 C ATOM 1964 C TYR A 138 0.551 48.681 108.960 1.00 28.04 C ATOM 1965 O TYR A 138 0.144 48.112 108.017 1.00 28.70 O ATOM 1966 CB TYR A 138 -0.282 48.210 111.282 1.00 28.01 C ATOM 1967 CG TYR A 138 -1.597 47.809 110.734 1.00 27.47 C ATOM 1968 CD1 TYR A 138 -1.828 46.503 110.393 1.00 31.40 C ATOM 1969 CD2 TYR A 138 -2.562 48.742 110.445 1.00 33.39 C ATOM 1970 CE1 TYR A 138 -3.070 46.104 109.830 1.00 34.40 C ATOM 1971 CE2 TYR A 138 -3.804 48.355 109.884 1.00 33.58 C ATOM 1972 CZ TYR A 138 -4.038 47.030 109.598 1.00 34.07 C ATOM 1973 OH TYR A 138 -5.248 46.632 109.016 1.00 39.75 O ATOM 1974 HA TYR A 138 0.821 46.853 110.068 1.00 0.00 H ATOM 1975 HB3 TYR A 138 -0.296 49.277 111.506 1.00 0.00 H ATOM 1976 HB2 TYR A 138 -0.088 47.650 112.197 1.00 0.00 H ATOM 1977 HD2 TYR A 138 -2.370 49.795 110.650 1.00 0.00 H ATOM 1978 HE2 TYR A 138 -4.570 49.103 109.680 1.00 0.00 H ATOM 1979 HE1 TYR A 138 -3.247 45.057 109.584 1.00 0.00 H ATOM 1980 HD1 TYR A 138 -1.048 45.759 110.556 1.00 0.00 H ATOM 1981 HH TYR A 138 -5.998 46.880 109.613 1.00 0.00 H ATOM 1982 H TYR A 138 2.246 48.718 111.736 1.00 0.00 H ATOM 1983 N GLU A 139 0.807 49.961 108.945 1.00 30.39 N ATOM 1984 CA GLU A 139 0.625 50.814 107.774 1.00 31.03 C ATOM 1985 C GLU A 139 1.403 50.290 106.579 1.00 31.81 C ATOM 1986 O GLU A 139 0.849 50.161 105.479 1.00 32.34 O ATOM 1987 CB GLU A 139 0.994 52.247 108.134 1.00 32.11 C ATOM 1988 HA GLU A 139 -0.423 50.800 107.474 1.00 0.00 H ATOM 1989 HB2 GLU A 139 0.351 52.594 108.943 1.00 0.00 H ATOM 1990 HB3 GLU A 139 2.035 52.283 108.455 1.00 0.00 H ATOM 1991 H GLU A 139 1.162 50.399 109.819 1.00 0.00 H ATOM 1992 N GLU A 140 2.635 49.854 106.804 1.00 29.22 N ATOM 1993 CA GLU A 140 3.409 49.255 105.747 1.00 28.74 C ATOM 1994 C GLU A 140 2.778 47.988 105.266 1.00 29.98 C ATOM 1995 O GLU A 140 2.793 47.664 104.057 1.00 28.69 O ATOM 1996 CB GLU A 140 4.858 48.998 106.199 1.00 28.12 C ATOM 1997 CG GLU A 140 5.596 50.325 106.452 1.00 27.24 C ATOM 1998 CD GLU A 140 6.940 50.168 107.173 1.00 25.88 C ATOM 1999 OE1 GLU A 140 7.087 49.223 108.029 1.00 24.45 O ATOM 2000 OE2 GLU A 140 7.823 51.001 106.875 1.00 27.75 O ATOM 2001 HA GLU A 140 3.430 49.960 104.916 1.00 0.00 H ATOM 2002 HB2 GLU A 140 4.847 48.414 107.119 1.00 0.00 H ATOM 2003 HB3 GLU A 140 5.381 48.440 105.422 1.00 0.00 H ATOM 2004 HG2 GLU A 140 5.778 50.805 105.490 1.00 0.00 H ATOM 2005 HG3 GLU A 140 4.954 50.963 107.059 1.00 0.00 H ATOM 2006 H GLU A 140 3.047 49.946 107.754 1.00 0.00 H ATOM 2007 N PHE A 141 2.317 47.208 106.212 1.00 30.27 N ATOM 2008 CA PHE A 141 1.722 45.927 105.897 1.00 30.71 C ATOM 2009 C PHE A 141 0.442 46.244 105.083 1.00 32.40 C ATOM 2010 O PHE A 141 0.212 45.595 104.091 1.00 34.12 O ATOM 2011 CB PHE A 141 1.468 45.153 107.187 1.00 30.91 C ATOM 2012 CG PHE A 141 0.954 43.795 106.993 1.00 27.83 C ATOM 2013 CD1 PHE A 141 1.777 42.801 106.653 1.00 28.57 C ATOM 2014 CD2 PHE A 141 -0.409 43.509 107.145 1.00 28.45 C ATOM 2015 CE1 PHE A 141 1.318 41.507 106.432 1.00 32.73 C ATOM 2016 CE2 PHE A 141 -0.896 42.211 106.912 1.00 31.37 C ATOM 2017 CZ PHE A 141 -0.034 41.196 106.589 1.00 32.95 C ATOM 2018 HA PHE A 141 2.367 45.281 105.301 1.00 0.00 H ATOM 2019 HB2 PHE A 141 2.408 45.086 107.734 1.00 0.00 H ATOM 2020 HB3 PHE A 141 0.743 45.710 107.780 1.00 0.00 H ATOM 2021 HD2 PHE A 141 -1.097 44.299 107.446 1.00 0.00 H ATOM 2022 HE2 PHE A 141 -1.965 42.011 106.989 1.00 0.00 H ATOM 2023 HZ PHE A 141 -0.393 40.175 106.458 1.00 0.00 H ATOM 2024 HE1 PHE A 141 2.020 40.729 106.134 1.00 0.00 H ATOM 2025 HD1 PHE A 141 2.841 43.010 106.545 1.00 0.00 H ATOM 2026 H PHE A 141 2.380 47.514 107.204 1.00 0.00 H ATOM 2027 N VAL A 142 -0.288 47.290 105.435 1.00 33.20 N ATOM 2028 CA VAL A 142 -1.509 47.679 104.682 1.00 35.83 C ATOM 2029 C VAL A 142 -1.150 48.137 103.273 1.00 37.94 C ATOM 2030 O VAL A 142 -1.759 47.657 102.312 1.00 39.40 O ATOM 2031 CB VAL A 142 -2.327 48.781 105.350 1.00 35.83 C ATOM 2032 CG1 VAL A 142 -3.557 49.247 104.446 1.00 36.55 C ATOM 2033 CG2 VAL A 142 -2.864 48.338 106.703 1.00 37.96 C ATOM 2034 HA VAL A 142 -2.125 46.780 104.658 1.00 0.00 H ATOM 2035 HB VAL A 142 -1.644 49.620 105.484 1.00 0.00 H ATOM 2036 HG11 VAL A 142 -3.184 49.629 103.496 1.00 0.00 H ATOM 2037 HG12 VAL A 142 -4.215 48.397 104.264 1.00 0.00 H ATOM 2038 HG13 VAL A 142 -4.109 50.032 104.963 1.00 0.00 H ATOM 2039 HG21 VAL A 142 -3.504 47.466 106.571 1.00 0.00 H ATOM 2040 HG22 VAL A 142 -2.031 48.083 107.357 1.00 0.00 H ATOM 2041 HG23 VAL A 142 -3.441 49.149 107.147 1.00 0.00 H ATOM 2042 H VAL A 142 -0.000 47.854 106.260 1.00 0.00 H ATOM 2043 N GLN A 143 -0.161 49.030 103.126 1.00 38.72 N ATOM 2044 CA GLN A 143 0.270 49.425 101.777 1.00 41.16 C ATOM 2045 C GLN A 143 0.678 48.194 100.962 1.00 42.51 C ATOM 2046 O GLN A 143 0.407 48.115 99.756 1.00 43.99 O ATOM 2047 CB GLN A 143 1.427 50.386 101.773 1.00 41.32 C ATOM 2048 CG GLN A 143 1.290 51.506 102.728 1.00 45.89 C ATOM 2049 CD GLN A 143 0.794 52.740 102.142 1.00 50.50 C ATOM 2050 OE1 GLN A 143 1.178 53.826 102.617 1.00 57.81 O ATOM 2051 NE2 GLN A 143 -0.069 52.639 101.114 1.00 52.87 N ATOM 2052 HA GLN A 143 -0.590 49.927 101.334 1.00 0.00 H ATOM 2053 HB2 GLN A 143 2.332 49.832 102.023 1.00 0.00 H ATOM 2054 HB3 GLN A 143 1.522 50.802 100.770 1.00 0.00 H ATOM 2055 HG2 GLN A 143 0.600 51.201 103.515 1.00 0.00 H ATOM 2056 HG3 GLN A 143 2.270 51.705 103.163 1.00 0.00 H ATOM 2057 HE22 GLN A 143 -0.351 51.702 100.762 1.00 0.00 H ATOM 2058 HE21 GLN A 143 -0.453 53.498 100.671 1.00 0.00 H ATOM 2059 H GLN A 143 0.299 49.442 103.963 1.00 0.00 H ATOM 2060 N MET A 144 1.331 47.234 101.585 1.00 43.39 N ATOM 2061 CA MET A 144 1.682 46.015 100.866 1.00 45.51 C ATOM 2062 C MET A 144 0.450 45.193 100.402 1.00 48.75 C ATOM 2063 O MET A 144 0.355 44.740 99.256 1.00 49.78 O ATOM 2064 CB MET A 144 2.569 45.121 101.734 1.00 45.38 C ATOM 2065 CG MET A 144 3.068 43.890 101.035 1.00 44.39 C ATOM 2066 SD MET A 144 4.090 42.835 101.984 1.00 44.17 S ATOM 2067 CE MET A 144 2.931 42.092 103.148 1.00 45.45 C ATOM 2068 HA MET A 144 2.215 46.341 99.973 1.00 0.00 H ATOM 2069 HB2 MET A 144 3.431 45.704 102.058 1.00 0.00 H ATOM 2070 HB3 MET A 144 1.994 44.810 102.606 1.00 0.00 H ATOM 2071 HG2 MET A 144 3.636 44.209 100.161 1.00 0.00 H ATOM 2072 HG3 MET A 144 2.201 43.314 100.712 1.00 0.00 H ATOM 2073 HE1 MET A 144 2.466 42.876 103.746 1.00 0.00 H ATOM 2074 HE2 MET A 144 2.163 41.549 102.597 1.00 0.00 H ATOM 2075 HE3 MET A 144 3.466 41.404 103.802 1.00 0.00 H ATOM 2076 H MET A 144 1.595 47.345 102.585 1.00 0.00 H ATOM 2077 N MET A 145 -0.467 44.943 101.309 1.00 50.89 N ATOM 2078 CA MET A 145 -1.597 44.101 100.979 1.00 53.15 C ATOM 2079 C MET A 145 -2.588 44.798 100.058 1.00 54.71 C ATOM 2080 O MET A 145 -3.164 44.185 99.200 1.00 56.03 O ATOM 2081 CB MET A 145 -2.262 43.654 102.268 1.00 52.86 C ATOM 2082 CG MET A 145 -1.338 42.872 103.151 1.00 51.63 C ATOM 2083 SD MET A 145 -0.882 41.251 102.535 1.00 50.68 S ATOM 2084 CE MET A 145 -2.278 40.314 103.251 1.00 55.21 C ATOM 2085 HA MET A 145 -1.237 43.232 100.428 1.00 0.00 H ATOM 2086 HB2 MET A 145 -2.601 44.536 102.811 1.00 0.00 H ATOM 2087 HB3 MET A 145 -3.120 43.030 102.020 1.00 0.00 H ATOM 2088 HG2 MET A 145 -1.825 42.741 104.117 1.00 0.00 H ATOM 2089 HG3 MET A 145 -0.425 43.452 103.282 1.00 0.00 H ATOM 2090 HE1 MET A 145 -2.263 40.415 104.336 1.00 0.00 H ATOM 2091 HE2 MET A 145 -3.216 40.708 102.861 1.00 0.00 H ATOM 2092 HE3 MET A 145 -2.184 39.262 102.982 1.00 0.00 H ATOM 2093 H MET A 145 -0.381 45.349 102.262 1.00 0.00 H ATOM 2094 N THR A 146 -2.760 46.098 100.222 1.00 56.76 N ATOM 2095 CA THR A 146 -3.733 46.861 99.451 1.00 57.62 C ATOM 2096 C THR A 146 -3.209 47.116 98.036 1.00 58.19 C ATOM 2097 O THR A 146 -2.251 46.438 97.629 1.00 58.34 O ATOM 2098 CB THR A 146 -4.052 48.207 100.180 1.00 58.45 C ATOM 2099 HA THR A 146 -4.655 46.285 99.370 1.00 0.00 H ATOM 2100 HB THR A 146 -4.461 47.996 101.168 1.00 0.00 H ATOM 2101 H THR A 146 -2.179 46.595 100.927 1.00 0.00 H TER 2102 THR A 146 HETATM 2103 CA CA A 1 -0.569 18.662 96.085 1.00 34.64 CA HETATM 2104 CA CA A 2 -9.645 22.186 89.373 1.00 35.80 CA HETATM 2105 CA CA A 3 6.577 41.995 116.489 1.00 26.23 CA HETATM 2106 CA CA A 4 9.332 49.871 108.559 1.00 24.60 CA HETATM 2107 O HOH 5 1.129 46.794 119.237 1.00 28.31 O HETATM 2108 O HOH 6 8.196 50.506 110.581 1.00 27.56 O HETATM 2109 O HOH 7 -4.828 26.511 113.946 1.00 46.08 O HETATM 2110 O HOH 8 -0.331 48.164 114.785 1.00 32.74 O HETATM 2111 O HOH 9 -0.288 46.459 116.766 1.00 36.52 O HETATM 2112 O HOH 10 -0.295 43.321 116.357 1.00 39.77 O HETATM 2113 O HOH 11 2.043 24.504 106.303 1.00 37.60 O HETATM 2114 O HOH 12 2.945 51.501 113.930 1.00 39.18 O HETATM 2115 O HOH 13 2.073 48.893 113.755 1.00 26.24 O HETATM 2116 O HOH 14 -8.656 23.244 110.148 1.00 34.43 O HETATM 2117 O HOH 15 -9.262 18.747 97.286 1.00 34.00 O HETATM 2118 O HOH 16 8.748 29.166 85.670 1.00 37.81 O HETATM 2119 O HOH 17 10.798 39.977 116.946 1.00 36.54 O HETATM 2120 O HOH 18 10.318 44.139 117.051 1.00 27.70 O HETATM 2121 O HOH 19 14.621 40.160 113.730 1.00 28.91 O HETATM 2122 O HOH 20 4.839 48.294 102.372 1.00 34.62 O HETATM 2123 O HOH 21 9.423 40.116 82.390 1.00 57.50 O HETATM 2124 O HOH 22 -11.138 25.945 116.502 1.00 61.00 O HETATM 2125 O HOH 23 -10.422 42.935 96.180 1.00 53.08 O HETATM 2126 O HOH 24 8.251 34.593 118.182 1.00 63.31 O HETATM 2127 O HOH 25 10.087 43.320 121.436 1.00 46.36 O HETATM 2128 O HOH 26 11.397 49.706 114.399 1.00 26.24 O HETATM 2129 O HOH 27 13.616 43.013 111.614 1.00 32.15 O HETATM 2130 O HOH 28 -0.696 43.861 120.993 1.00 35.45 O HETATM 2131 O HOH 29 8.697 41.848 117.498 1.00 30.31 O HETATM 2132 O HOH 30 15.179 43.859 108.627 1.00 42.88 O HETATM 2133 O HOH 31 3.327 23.159 89.212 1.00 62.27 O HETATM 2134 O HOH 32 4.360 22.781 92.968 1.00 56.61 O HETATM 2135 O HOH 33 2.867 30.460 112.177 1.00 45.94 O HETATM 2136 O HOH 34 1.556 51.764 111.279 1.00 31.54 O HETATM 2137 O HOH 35 7.863 37.596 118.459 1.00 41.07 O HETATM 2138 O HOH 36 17.733 45.882 109.244 1.00 56.02 O HETATM 2139 O HOH 37 17.034 50.724 105.768 1.00 38.96 O HETATM 2140 O HOH 38 14.563 47.052 105.280 1.00 37.57 O HETATM 2141 O HOH 39 -18.474 25.160 108.146 1.00 46.54 O HETATM 2142 O HOH 40 0.242 16.796 100.415 1.00 52.95 O HETATM 2143 O HOH 41 8.923 24.633 86.205 1.00 42.66 O HETATM 2144 O HOH 42 15.390 30.040 108.572 1.00 61.27 O HETATM 2145 O HOH 43 1.989 41.021 123.913 1.00 51.71 O HETATM 2146 O HOH 44 9.552 53.233 113.194 1.00 36.66 O HETATM 2147 O HOH 45 14.860 43.935 114.368 1.00 65.04 O HETATM 2148 O HOH 46 12.414 26.684 101.944 1.00 61.44 O HETATM 2149 O HOH 47 -17.851 28.310 103.186 1.00 59.68 O HETATM 2150 O HOH 48 7.109 40.972 81.481 1.00 66.60 O HETATM 2151 O HOH 49 15.461 44.419 106.012 1.00 47.32 O HETATM 2152 O HOH 50 -3.192 16.359 99.300 1.00 32.27 O HETATM 2153 O HOH 51 -19.193 22.764 108.515 1.00 65.91 O HETATM 2154 O HOH 52 -13.221 17.464 86.145 1.00 61.01 O HETATM 2155 O HOH 53 12.118 29.859 107.580 1.00 42.26 O HETATM 2156 O HOH 54 11.627 38.527 81.708 1.00 54.96 O HETATM 2157 O HOH 55 -8.337 16.852 99.961 1.00 48.25 O HETATM 2158 O HOH 56 7.302 52.836 117.897 1.00 40.02 O HETATM 2159 O HOH 57 -9.033 15.874 97.187 1.00 44.53 O HETATM 2160 O HOH 58 -0.793 52.897 104.899 1.00 52.49 O HETATM 2161 O HOH 59 -10.461 29.325 88.238 1.00 41.60 O HETATM 2162 O HOH 60 -0.306 22.425 102.218 1.00 56.58 O HETATM 2163 O HOH 61 2.660 16.287 101.803 1.00 46.08 O HETATM 2164 O HOH 62 9.238 49.225 99.977 1.00 52.91 O HETATM 2165 O HOH 63 -16.253 35.154 97.712 1.00 61.22 O HETATM 2166 O HOH 64 4.588 48.514 99.478 1.00 48.72 O HETATM 2167 O HOH 65 -9.871 14.548 93.357 1.00 58.85 O HETATM 2168 O HOH 66 -1.107 51.847 112.454 1.00 54.96 O HETATM 2169 O HOH 67 -14.464 29.050 102.741 1.00 49.76 O HETATM 2170 O HOH 68 -13.890 18.108 98.756 1.00 53.31 O HETATM 2171 O HOH 69 10.441 24.285 88.716 1.00 55.71 O HETATM 2172 O HOH 70 -1.307 23.478 86.791 1.00 49.68 O HETATM 2173 O HOH 71 5.086 25.638 92.004 1.00 50.98 O HETATM 2174 O HOH 72 10.451 36.887 118.057 1.00 72.09 O HETATM 2175 O HOH 73 -6.851 16.589 91.140 1.00 45.80 O HETATM 2176 O HOH 74 -7.441 14.932 95.787 1.00 53.65 O HETATM 2177 O HOH 75 -9.594 33.203 85.820 1.00 41.40 O HETATM 2178 O HOH 76 -1.796 16.796 96.642 1.00 39.43 O HETATM 2179 O HOH 77 -8.060 21.593 88.131 1.00 43.47 O HETATM 2180 O HOH 78 9.051 47.150 97.609 1.00 60.24 O HETATM 2181 O HOH 79 -1.803 52.719 106.955 1.00 46.13 O HETATM 2182 O HOH 80 -8.582 12.622 97.649 1.00 60.27 O HETATM 2183 O HOH 81 -13.935 31.118 100.248 1.00 62.88 O HETATM 2184 O HOH 82 -11.909 30.350 96.837 1.00 48.59 O HETATM 2185 O HOH 83 -12.689 39.542 95.157 1.00 50.35 O HETATM 2186 O HOH 84 -12.805 19.809 96.797 1.00 49.77 O HETATM 2187 O HOH 85 5.347 43.558 123.367 1.00 58.50 O HETATM 2188 O HOH 86 -18.522 24.944 93.438 1.00 68.80 O HETATM 2189 O HOH 87 8.755 30.959 87.449 1.00 38.72 O HETATM 2190 O HOH 88 5.751 34.020 97.173 1.00 47.80 O HETATM 2191 O HOH 89 13.428 24.459 89.716 1.00 65.87 O HETATM 2192 O HOH 90 -6.725 35.072 103.725 1.00 58.03 O HETATM 2193 N LYS A 91 15.828 28.812 101.153 1.00 0.24 N HETATM 2194 CA LYS A 91 16.709 28.147 100.157 1.00 0.06 C HETATM 2195 CB LYS A 91 16.560 26.611 100.217 1.00 -0.00 C HETATM 2196 H5 LYS A 91 17.223 26.149 99.470 1.00 0.03 H HETATM 2197 H6 LYS A 91 15.517 26.335 100.002 1.00 0.03 H HETATM 2198 H7 LYS A 91 16.834 26.255 101.221 1.00 0.03 H HETATM 2199 C LYS A 91 16.312 28.664 98.792 1.00 0.23 C HETATM 2200 O LYS A 91 15.142 28.603 98.423 1.00 -0.39 O HETATM 2201 N LYS A 91 17.259 29.301 98.122 1.00 -0.26 N HETATM 2202 CA LYS A 91 17.101 29.728 96.744 1.00 0.13 C HETATM 2203 CB LYS A 91 18.383 30.445 96.288 1.00 -0.02 C HETATM 2204 H10 LYS A 91 18.269 30.771 95.244 1.00 0.03 H HETATM 2205 H11 LYS A 91 19.236 29.755 96.366 1.00 0.03 H HETATM 2206 H12 LYS A 91 18.561 31.322 96.928 1.00 0.03 H HETATM 2207 C LYS A 91 16.750 28.619 95.731 1.00 0.20 C HETATM 2208 O LYS A 91 17.458 27.612 95.609 1.00 -0.39 O HETATM 2209 N LYS A 91 15.667 28.843 94.984 1.00 -0.26 N HETATM 2210 CA LYS A 91 15.232 27.939 93.913 1.00 0.13 C HETATM 2211 CB LYS A 91 13.954 27.221 94.303 1.00 -0.02 C HETATM 2212 H15 LYS A 91 13.647 26.550 93.487 1.00 0.03 H HETATM 2213 H16 LYS A 91 13.160 27.960 94.489 1.00 0.03 H HETATM 2214 H17 LYS A 91 14.128 26.633 95.216 1.00 0.03 H HETATM 2215 C LYS A 91 15.063 28.762 92.614 1.00 0.20 C HETATM 2216 O LYS A 91 14.362 29.784 92.574 1.00 -0.39 O HETATM 2217 N LYS A 91 15.754 28.338 91.559 1.00 -0.26 N HETATM 2218 CA LYS A 91 15.660 29.023 90.272 1.00 0.14 C HETATM 2219 CB LYS A 91 16.578 28.363 89.233 1.00 0.02 C HETATM 2220 CG LYS A 91 16.571 29.074 87.911 1.00 -0.04 C HETATM 2221 CD1 LYS A 91 17.150 30.333 87.798 1.00 -0.06 C HETATM 2222 CE1 LYS A 91 17.123 31.026 86.586 1.00 -0.07 C HETATM 2223 CZ LYS A 91 16.507 30.463 85.484 1.00 -0.07 C HETATM 2224 CE2 LYS A 91 15.924 29.193 85.591 1.00 -0.07 C HETATM 2225 CD2 LYS A 91 15.952 28.516 86.798 1.00 -0.06 C HETATM 2226 H23 LYS A 91 15.486 27.540 86.876 1.00 0.06 H HETATM 2227 H25 LYS A 91 15.450 28.740 84.727 1.00 0.06 H HETATM 2228 H26 LYS A 91 16.475 31.000 84.543 1.00 0.06 H HETATM 2229 H24 LYS A 91 17.584 32.004 86.509 1.00 0.06 H HETATM 2230 H22 LYS A 91 17.628 30.782 88.661 1.00 0.06 H HETATM 2231 H20 LYS A 91 16.243 27.327 89.076 1.00 0.05 H HETATM 2232 H21 LYS A 91 17.606 28.360 89.624 1.00 0.05 H HETATM 2233 C LYS A 91 14.224 29.004 89.724 1.00 0.21 C HETATM 2234 O LYS A 91 13.610 27.953 89.667 1.00 -0.39 O HETATM 2235 N LYS A 91 13.722 30.163 89.294 1.00 -0.26 N HETATM 2236 CA LYS A 91 12.356 30.315 88.747 1.00 0.15 C HETATM 2237 CB LYS A 91 11.950 29.125 87.856 1.00 0.08 C HETATM 2238 OG LYS A 91 11.291 28.090 88.565 1.00 -0.39 O HETATM 2239 H31 LYS A 91 11.867 27.756 89.243 1.00 0.21 H HETATM 2240 H29 LYS A 91 12.858 28.709 87.395 1.00 0.06 H HETATM 2241 H30 LYS A 91 11.275 29.493 87.069 1.00 0.06 H HETATM 2242 C LYS A 91 11.327 30.525 89.884 1.00 0.21 C HETATM 2243 O LYS A 91 10.152 30.694 89.607 1.00 -0.39 O HETATM 2244 N LYS A 91 11.805 30.492 91.140 1.00 -0.26 N HETATM 2245 CA LYS A 91 10.989 30.691 92.339 1.00 0.14 C HETATM 2246 CB LYS A 91 11.091 29.486 93.285 1.00 0.02 C HETATM 2247 CG LYS A 91 10.473 28.226 92.741 1.00 -0.04 C HETATM 2248 CD1 LYS A 91 11.130 27.490 91.772 1.00 -0.06 C HETATM 2249 CE1 LYS A 91 10.571 26.341 91.265 1.00 -0.07 C HETATM 2250 CZ LYS A 91 9.366 25.892 91.737 1.00 -0.07 C HETATM 2251 CE2 LYS A 91 8.697 26.619 92.721 1.00 -0.07 C HETATM 2252 CD2 LYS A 91 9.253 27.771 93.214 1.00 -0.06 C HETATM 2253 H37 LYS A 91 8.733 28.332 93.982 1.00 0.06 H HETATM 2254 H39 LYS A 91 7.740 26.274 93.095 1.00 0.06 H HETATM 2255 H40 LYS A 91 8.935 24.977 91.348 1.00 0.06 H HETATM 2256 H38 LYS A 91 11.086 25.788 90.488 1.00 0.06 H HETATM 2257 H36 LYS A 91 12.096 27.823 91.409 1.00 0.06 H HETATM 2258 H34 LYS A 91 10.583 29.742 94.227 1.00 0.05 H HETATM 2259 H35 LYS A 91 12.155 29.291 93.484 1.00 0.05 H HETATM 2260 C LYS A 91 11.458 31.916 93.117 1.00 0.21 C HETATM 2261 O LYS A 91 12.641 32.196 93.189 1.00 -0.39 O HETATM 2262 N LYS A 91 10.519 32.604 93.749 1.00 -0.26 N HETATM 2263 CA LYS A 91 10.831 33.793 94.515 1.00 0.13 C HETATM 2264 CB LYS A 91 10.816 35.000 93.590 1.00 -0.01 C HETATM 2265 CG LYS A 91 11.469 36.245 94.174 1.00 -0.04 C HETATM 2266 CD LYS A 91 10.460 37.159 94.813 1.00 -0.01 C HETATM 2267 CE LYS A 91 10.951 38.571 95.030 1.00 -0.04 C HETATM 2268 NZ LYS A 91 9.778 39.342 95.569 1.00 0.22 N HETATM 2269 H51 LYS A 91 10.051 40.298 95.733 1.00 0.20 H HETATM 2270 H52 LYS A 91 9.472 38.927 96.435 1.00 0.20 H HETATM 2271 H53 LYS A 91 9.024 39.318 94.900 1.00 0.20 H HETATM 2272 H49 LYS A 91 11.290 39.008 94.079 1.00 0.08 H HETATM 2273 H50 LYS A 91 11.779 38.580 95.754 1.00 0.08 H HETATM 2274 H47 LYS A 91 10.182 36.737 95.790 1.00 0.03 H HETATM 2275 H48 LYS A 91 9.572 37.199 94.165 1.00 0.03 H HETATM 2276 H45 LYS A 91 11.982 36.789 93.367 1.00 0.03 H HETATM 2277 H46 LYS A 91 12.203 35.939 94.934 1.00 0.03 H HETATM 2278 H43 LYS A 91 9.769 35.239 93.353 1.00 0.03 H HETATM 2279 H44 LYS A 91 11.349 34.733 92.666 1.00 0.03 H HETATM 2280 C LYS A 91 9.825 33.999 95.645 1.00 0.20 C HETATM 2281 O LYS A 91 8.602 34.065 95.409 1.00 -0.39 O HETATM 2282 N LYS A 91 10.320 34.125 96.866 1.00 -0.26 N HETATM 2283 CA LYS A 91 9.419 34.326 98.000 1.00 0.13 C HETATM 2284 CB LYS A 91 10.059 33.821 99.284 1.00 -0.01 C HETATM 2285 CG LYS A 91 10.550 32.420 99.119 1.00 -0.04 C HETATM 2286 CD LYS A 91 10.850 31.750 100.396 1.00 -0.01 C HETATM 2287 CE LYS A 91 11.334 30.338 100.128 1.00 -0.04 C HETATM 2288 NZ LYS A 91 12.626 30.346 99.354 1.00 0.22 N HETATM 2289 H64 LYS A 91 12.925 29.398 99.190 1.00 0.20 H HETATM 2290 H65 LYS A 91 13.332 30.834 99.883 1.00 0.20 H HETATM 2291 H66 LYS A 91 12.486 30.812 98.471 1.00 0.20 H HETATM 2292 H62 LYS A 91 10.570 29.801 99.547 1.00 0.08 H HETATM 2293 H63 LYS A 91 11.493 29.825 101.088 1.00 0.08 H HETATM 2294 H60 LYS A 91 9.940 31.714 101.013 1.00 0.03 H HETATM 2295 H61 LYS A 91 11.633 32.310 100.928 1.00 0.03 H HETATM 2296 H58 LYS A 91 11.468 32.441 98.513 1.00 0.03 H HETATM 2297 H59 LYS A 91 9.777 31.839 98.594 1.00 0.03 H HETATM 2298 H56 LYS A 91 9.314 33.849 100.093 1.00 0.03 H HETATM 2299 H57 LYS A 91 10.907 34.472 99.544 1.00 0.03 H HETATM 2300 C LYS A 91 8.947 35.767 98.146 1.00 0.20 C HETATM 2301 O LYS A 91 9.731 36.656 98.394 1.00 -0.39 O HETATM 2302 N LYS A 91 7.657 35.988 98.001 1.00 -0.26 N HETATM 2303 CA LYS A 91 7.098 37.315 98.130 1.00 0.15 C HETATM 2304 CB LYS A 91 6.166 37.638 96.975 1.00 0.08 C HETATM 2305 OG LYS A 91 5.248 38.683 97.309 1.00 -0.39 O HETATM 2306 H71 LYS A 91 4.683 38.857 96.565 1.00 0.21 H HETATM 2307 H69 LYS A 91 5.596 36.734 96.714 1.00 0.06 H HETATM 2308 H70 LYS A 91 6.767 37.955 96.110 1.00 0.06 H HETATM 2309 C LYS A 91 6.326 37.443 99.428 1.00 0.21 C HETATM 2310 O LYS A 91 5.552 36.569 99.783 1.00 -0.39 O HETATM 2311 N LYS A 91 6.546 38.553 100.117 1.00 -0.26 N HETATM 2312 CA LYS A 91 5.826 38.856 101.340 1.00 0.14 C HETATM 2313 CB LYS A 91 6.392 40.120 101.986 1.00 0.02 C HETATM 2314 CG LYS A 91 6.138 40.228 103.480 1.00 -0.04 C HETATM 2315 CD1 LYS A 91 5.294 39.349 104.143 1.00 -0.06 C HETATM 2316 CE1 LYS A 91 5.051 39.447 105.488 1.00 -0.07 C HETATM 2317 CZ LYS A 91 5.681 40.409 106.207 1.00 -0.07 C HETATM 2318 CE2 LYS A 91 6.537 41.305 105.558 1.00 -0.07 C HETATM 2319 CD2 LYS A 91 6.755 41.195 104.198 1.00 -0.06 C HETATM 2320 H77 LYS A 91 7.425 41.888 103.703 1.00 0.06 H HETATM 2321 H79 LYS A 91 7.030 42.087 106.123 1.00 0.06 H HETATM 2322 H80 LYS A 91 5.522 40.483 107.277 1.00 0.06 H HETATM 2323 H78 LYS A 91 4.363 38.763 105.972 1.00 0.06 H HETATM 2324 H76 LYS A 91 4.811 38.559 103.579 1.00 0.06 H HETATM 2325 H74 LYS A 91 5.935 40.992 101.495 1.00 0.05 H HETATM 2326 H75 LYS A 91 7.479 40.134 101.820 1.00 0.05 H HETATM 2327 C LYS A 91 4.353 39.093 100.977 1.00 0.21 C HETATM 2328 O LYS A 91 3.460 38.522 101.595 1.00 -0.39 O HETATM 2329 N LYS A 91 4.142 39.904 99.937 1.00 -0.26 N HETATM 2330 CA LYS A 91 2.812 40.286 99.468 1.00 0.13 C HETATM 2331 CB LYS A 91 2.896 41.111 98.185 1.00 -0.01 C HETATM 2332 CG LYS A 91 1.527 41.453 97.626 1.00 -0.04 C HETATM 2333 CD LYS A 91 1.662 42.350 96.394 1.00 -0.01 C HETATM 2334 CE LYS A 91 0.303 42.600 95.725 1.00 -0.04 C HETATM 2335 NZ LYS A 91 0.472 43.442 94.499 1.00 0.22 N HETATM 2336 H91 LYS A 91 -0.427 43.597 94.072 1.00 0.20 H HETATM 2337 H92 LYS A 91 1.077 42.968 93.847 1.00 0.20 H HETATM 2338 H93 LYS A 91 0.880 44.328 94.753 1.00 0.20 H HETATM 2339 H89 LYS A 91 -0.359 43.120 96.433 1.00 0.08 H HETATM 2340 H90 LYS A 91 -0.145 41.636 95.443 1.00 0.08 H HETATM 2341 H87 LYS A 91 2.332 41.864 95.670 1.00 0.03 H HETATM 2342 H88 LYS A 91 2.092 43.315 96.701 1.00 0.03 H HETATM 2343 H85 LYS A 91 0.943 41.979 98.395 1.00 0.03 H HETATM 2344 H86 LYS A 91 1.009 40.525 97.343 1.00 0.03 H HETATM 2345 H83 LYS A 91 3.452 40.535 97.430 1.00 0.03 H HETATM 2346 H84 LYS A 91 3.433 42.046 98.401 1.00 0.03 H HETATM 2347 C LYS A 91 1.931 39.113 99.209 1.00 0.20 C HETATM 2348 O LYS A 91 0.881 38.981 99.833 1.00 -0.39 O HETATM 2349 N LYS A 91 2.339 38.278 98.260 1.00 -0.26 N HETATM 2350 CA LYS A 91 1.588 37.081 97.927 1.00 0.13 C HETATM 2351 CB LYS A 91 2.276 36.307 96.790 1.00 -0.01 C HETATM 2352 CG LYS A 91 2.272 37.003 95.451 1.00 -0.04 C HETATM 2353 CD1 LYS A 91 2.751 36.024 94.420 1.00 -0.06 C HETATM 2354 H99 LYS A 91 2.758 36.507 93.431 1.00 0.02 H HETATM 2355 H100 LYS A 91 2.077 35.155 94.399 1.00 0.02 H HETATM 2356 H101 LYS A 91 3.769 35.693 94.674 1.00 0.02 H HETATM 2357 CD2 LYS A 91 0.863 37.478 95.113 1.00 -0.06 C HETATM 2358 H102 LYS A 91 0.525 38.194 95.876 1.00 0.02 H HETATM 2359 H103 LYS A 91 0.181 36.616 95.092 1.00 0.02 H HETATM 2360 H104 LYS A 91 0.867 37.967 94.128 1.00 0.02 H HETATM 2361 H98 LYS A 91 2.949 37.869 95.481 1.00 0.03 H HETATM 2362 H96 LYS A 91 1.762 35.342 96.674 1.00 0.03 H HETATM 2363 H97 LYS A 91 3.322 36.132 97.081 1.00 0.03 H HETATM 2364 C LYS A 91 1.449 36.181 99.155 1.00 0.20 C HETATM 2365 O LYS A 91 0.431 35.522 99.332 1.00 -0.39 O HETATM 2366 N LYS A 91 2.456 36.154 100.019 1.00 -0.26 N HETATM 2367 CA LYS A 91 2.367 35.343 101.230 1.00 0.15 C HETATM 2368 CB LYS A 91 3.733 35.321 101.950 1.00 0.08 C HETATM 2369 OG LYS A 91 4.746 34.566 101.256 1.00 -0.39 O HETATM 2370 H109 LYS A 91 4.887 34.943 100.395 1.00 0.21 H HETATM 2371 H107 LYS A 91 3.592 34.877 102.947 1.00 0.06 H HETATM 2372 H108 LYS A 91 4.085 36.358 102.056 1.00 0.06 H HETATM 2373 C LYS A 91 1.294 35.948 102.183 1.00 0.21 C HETATM 2374 O LYS A 91 0.649 35.253 102.956 1.00 -0.39 O HETATM 2375 N LYS A 91 1.170 37.265 102.166 1.00 -0.27 N HETATM 2376 CA LYS A 91 0.196 37.921 103.014 1.00 0.12 C HETATM 2377 C LYS A 91 -1.195 37.458 102.577 1.00 0.20 C HETATM 2378 O LYS A 91 -1.952 36.876 103.349 1.00 -0.39 O HETATM 2379 N LYS A 91 -1.506 37.675 101.306 1.00 -0.26 N HETATM 2380 CA LYS A 91 -2.820 37.271 100.774 1.00 0.14 C HETATM 2381 CB LYS A 91 -2.921 37.584 99.288 1.00 0.02 C HETATM 2382 CG LYS A 91 -3.116 39.035 99.000 1.00 -0.04 C HETATM 2383 CD1 LYS A 91 -2.044 39.827 98.664 1.00 -0.06 C HETATM 2384 CE1 LYS A 91 -2.210 41.166 98.410 1.00 -0.07 C HETATM 2385 CZ LYS A 91 -3.474 41.728 98.494 1.00 -0.07 C HETATM 2386 CE2 LYS A 91 -4.561 40.944 98.836 1.00 -0.07 C HETATM 2387 CD2 LYS A 91 -4.377 39.608 99.090 1.00 -0.06 C HETATM 2388 H118 LYS A 91 -5.226 38.993 99.364 1.00 0.06 H HETATM 2389 H120 LYS A 91 -5.551 41.382 98.903 1.00 0.06 H HETATM 2390 H121 LYS A 91 -3.611 42.784 98.291 1.00 0.06 H HETATM 2391 H119 LYS A 91 -1.357 41.780 98.145 1.00 0.06 H HETATM 2392 H117 LYS A 91 -1.055 39.389 98.599 1.00 0.06 H HETATM 2393 H115 LYS A 91 -3.774 37.028 98.872 1.00 0.05 H HETATM 2394 H116 LYS A 91 -1.994 37.253 98.798 1.00 0.05 H HETATM 2395 C LYS A 91 -3.071 35.793 101.031 1.00 0.21 C HETATM 2396 O LYS A 91 -4.193 35.389 101.322 1.00 -0.39 O HETATM 2397 N LYS A 91 -2.008 34.990 100.980 1.00 -0.26 N HETATM 2398 CA LYS A 91 -2.131 33.548 101.183 1.00 0.15 C HETATM 2399 CB LYS A 91 -0.792 32.830 100.871 1.00 0.08 C HETATM 2400 OG LYS A 91 -0.380 33.018 99.536 1.00 -0.39 O HETATM 2401 H126 LYS A 91 -0.262 33.946 99.370 1.00 0.21 H HETATM 2402 H124 LYS A 91 -0.918 31.753 101.053 1.00 0.06 H HETATM 2403 H125 LYS A 91 -0.014 33.227 101.540 1.00 0.06 H HETATM 2404 C LYS A 91 -2.530 33.272 102.612 1.00 0.21 C HETATM 2405 O LYS A 91 -2.962 32.160 102.952 1.00 -0.39 O HETATM 2406 N LYS A 91 -2.361 34.275 103.468 1.00 -0.26 N HETATM 2407 CA LYS A 91 -2.674 34.128 104.881 1.00 0.14 C HETATM 2408 CB LYS A 91 -1.433 34.418 105.724 1.00 0.02 C HETATM 2409 CG LYS A 91 -0.183 33.766 105.215 1.00 -0.04 C HETATM 2410 CD1 LYS A 91 1.052 34.137 105.728 1.00 -0.06 C HETATM 2411 CE1 LYS A 91 2.222 33.550 105.276 1.00 -0.07 C HETATM 2412 CZ LYS A 91 2.166 32.578 104.299 1.00 -0.07 C HETATM 2413 CE2 LYS A 91 0.940 32.187 103.774 1.00 -0.07 C HETATM 2414 CD2 LYS A 91 -0.226 32.781 104.234 1.00 -0.06 C HETATM 2415 H132 LYS A 91 -1.181 32.474 103.824 1.00 0.06 H HETATM 2416 H134 LYS A 91 0.895 31.421 103.008 1.00 0.06 H HETATM 2417 H135 LYS A 91 3.080 32.118 103.940 1.00 0.06 H HETATM 2418 H133 LYS A 91 3.178 33.853 105.688 1.00 0.06 H HETATM 2419 H131 LYS A 91 1.102 34.900 106.496 1.00 0.06 H HETATM 2420 H129 LYS A 91 -1.618 34.059 106.747 1.00 0.05 H HETATM 2421 H130 LYS A 91 -1.273 35.506 105.741 1.00 0.05 H HETATM 2422 C LYS A 91 -3.808 35.049 105.334 1.00 0.21 C HETATM 2423 O LYS A 91 -4.032 36.120 104.763 1.00 -0.39 O HETATM 2424 N LYS A 91 -4.504 34.637 106.385 1.00 -0.26 N HETATM 2425 CA LYS A 91 -5.613 35.425 106.912 1.00 0.14 C HETATM 2426 CB LYS A 91 -6.968 34.702 106.748 1.00 -0.01 C HETATM 2427 CG LYS A 91 -8.189 35.524 107.253 1.00 -0.04 C HETATM 2428 CD LYS A 91 -9.544 34.909 106.870 1.00 -0.01 C HETATM 2429 CE LYS A 91 -10.110 34.010 107.968 1.00 -0.04 C HETATM 2430 NZ LYS A 91 -10.783 34.730 109.111 1.00 0.22 N HETATM 2431 H146 LYS A 91 -11.121 34.056 109.780 1.00 0.20 H HETATM 2432 H147 LYS A 91 -11.557 35.271 108.758 1.00 0.20 H HETATM 2433 H148 LYS A 91 -10.120 35.344 109.558 1.00 0.20 H HETATM 2434 H144 LYS A 91 -9.281 33.417 108.382 1.00 0.08 H HETATM 2435 H145 LYS A 91 -10.849 33.337 107.508 1.00 0.08 H HETATM 2436 H142 LYS A 91 -9.414 34.310 105.956 1.00 0.03 H HETATM 2437 H143 LYS A 91 -10.259 35.723 106.677 1.00 0.03 H HETATM 2438 H140 LYS A 91 -8.131 36.534 106.821 1.00 0.03 H HETATM 2439 H141 LYS A 91 -8.134 35.590 108.350 1.00 0.03 H HETATM 2440 H138 LYS A 91 -6.928 33.759 107.314 1.00 0.03 H HETATM 2441 H139 LYS A 91 -7.116 34.483 105.680 1.00 0.03 H HETATM 2442 C LYS A 91 -5.389 35.739 108.363 1.00 0.26 C HETATM 2443 O LYS A 91 -5.856 36.805 108.758 1.00 -0.37 O HETATM 2444 O1 LYS A 91 -4.727 34.915 109.170 1.00 -0.29 O HETATM 2445 H149 LYS A 91 -5.295 34.647 109.882 1.00 0.25 H HETATM 2446 H137 LYS A 91 -5.657 36.370 106.351 1.00 0.08 H HETATM 2447 H136 LYS A 91 -4.264 33.771 106.824 1.00 0.19 H HETATM 2448 H128 LYS A 91 -2.985 33.087 105.055 1.00 0.08 H HETATM 2449 H127 LYS A 91 -2.011 35.150 103.133 1.00 0.19 H HETATM 2450 H123 LYS A 91 -2.909 33.159 100.510 1.00 0.08 H HETATM 2451 H122 LYS A 91 -1.107 35.383 100.799 1.00 0.19 H HETATM 2452 H114 LYS A 91 -3.595 37.848 101.300 1.00 0.08 H HETATM 2453 H113 LYS A 91 -0.842 38.117 100.703 1.00 0.19 H HETATM 2454 H111 LYS A 91 0.279 39.012 102.903 1.00 0.08 H HETATM 2455 H112 LYS A 91 0.369 37.645 104.065 1.00 0.08 H HETATM 2456 H110 LYS A 91 1.752 37.811 101.564 1.00 0.19 H HETATM 2457 H106 LYS A 91 2.080 34.316 100.960 1.00 0.08 H HETATM 2458 H105 LYS A 91 3.280 36.692 99.840 1.00 0.19 H HETATM 2459 H95 LYS A 91 0.584 37.380 97.592 1.00 0.08 H HETATM 2460 H94 LYS A 91 3.183 38.479 97.763 1.00 0.19 H HETATM 2461 H82 LYS A 91 2.345 40.901 100.251 1.00 0.08 H HETATM 2462 H81 LYS A 91 4.937 40.270 99.453 1.00 0.19 H HETATM 2463 H73 LYS A 91 5.911 38.013 102.042 1.00 0.08 H HETATM 2464 H72 LYS A 91 7.230 39.202 99.784 1.00 0.19 H HETATM 2465 H68 LYS A 91 7.924 38.041 98.132 1.00 0.08 H HETATM 2466 H67 LYS A 91 7.050 35.220 97.797 1.00 0.19 H HETATM 2467 H55 LYS A 91 8.524 33.714 97.814 1.00 0.08 H HETATM 2468 H54 LYS A 91 11.308 34.083 97.013 1.00 0.19 H HETATM 2469 H42 LYS A 91 11.835 33.683 94.950 1.00 0.08 H HETATM 2470 H41 LYS A 91 9.570 32.294 93.696 1.00 0.19 H HETATM 2471 H33 LYS A 91 9.941 30.829 92.034 1.00 0.08 H HETATM 2472 H32 LYS A 91 12.782 30.320 91.263 1.00 0.19 H HETATM 2473 H28 LYS A 91 12.350 31.217 88.118 1.00 0.08 H HETATM 2474 H27 LYS A 91 14.303 30.976 89.344 1.00 0.19 H HETATM 2475 H19 LYS A 91 15.972 30.068 90.413 1.00 0.08 H HETATM 2476 H18 LYS A 91 16.347 27.538 91.648 1.00 0.19 H HETATM 2477 H14 LYS A 91 16.013 27.182 93.749 1.00 0.08 H HETATM 2478 H13 LYS A 91 15.127 29.665 95.162 1.00 0.19 H HETATM 2479 H9 LYS A 91 16.274 30.453 96.725 1.00 0.08 H HETATM 2480 H8 LYS A 91 18.123 29.497 98.586 1.00 0.19 H HETATM 2481 H4 LYS A 91 17.757 28.410 100.361 1.00 0.11 H HETATM 2482 H1 LYS A 91 16.065 28.490 102.079 1.00 0.20 H HETATM 2483 H2 LYS A 91 14.866 28.586 100.955 1.00 0.20 H HETATM 2484 H3 LYS A 91 15.956 29.811 101.101 1.00 0.20 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 264 263 2103 CONECT 298 297 2103 CONECT 317 316 2103 CONECT 333 332 2103 CONECT 796 795 2104 CONECT 818 817 2104 CONECT 837 836 2104 CONECT 855 854 2104 CONECT 1107 1108 1117 1118 1119 CONECT 1117 1107 CONECT 1118 1107 CONECT 1119 1107 CONECT 1319 1318 2105 CONECT 1353 1352 2105 CONECT 1372 1371 2105 CONECT 1390 1389 2105 CONECT 1852 1851 2106 CONECT 1884 1882 2106 CONECT 1903 1901 2106 CONECT 1918 1917 2106 CONECT 2103 264 298 317 333 CONECT 2104 796 818 837 855 CONECT 2105 1319 1353 1372 1390 CONECT 2106 1852 1884 1903 1918 CONECT 2193 2194 2482 2483 2484 CONECT 2194 2193 2195 2199 2481 CONECT 2195 2194 2196 2197 2198 CONECT 2196 2195 CONECT 2197 2195 CONECT 2198 2195 CONECT 2199 2194 2200 2201 CONECT 2200 2199 CONECT 2201 2199 2202 2480 CONECT 2202 2201 2203 2207 2479 CONECT 2203 2202 2204 2205 2206 CONECT 2204 2203 CONECT 2205 2203 CONECT 2206 2203 CONECT 2207 2202 2208 2209 CONECT 2208 2207 CONECT 2209 2207 2210 2478 CONECT 2210 2209 2211 2215 2477 CONECT 2211 2210 2212 2213 2214 CONECT 2212 2211 CONECT 2213 2211 CONECT 2214 2211 CONECT 2215 2210 2216 2217 CONECT 2216 2215 CONECT 2217 2215 2218 2476 CONECT 2218 2217 2219 2233 2475 CONECT 2219 2218 2220 2231 2232 CONECT 2220 2219 2221 2225 CONECT 2221 2220 2222 2230 CONECT 2222 2221 2223 2229 CONECT 2223 2222 2224 2228 CONECT 2224 2223 2225 2227 CONECT 2225 2220 2224 2226 CONECT 2226 2225 CONECT 2227 2224 CONECT 2228 2223 CONECT 2229 2222 CONECT 2230 2221 CONECT 2231 2219 CONECT 2232 2219 CONECT 2233 2218 2234 2235 CONECT 2234 2233 CONECT 2235 2233 2236 2474 CONECT 2236 2235 2237 2242 2473 CONECT 2237 2236 2238 2240 2241 CONECT 2238 2237 2239 CONECT 2239 2238 CONECT 2240 2237 CONECT 2241 2237 CONECT 2242 2236 2243 2244 CONECT 2243 2242 CONECT 2244 2242 2245 2472 CONECT 2245 2244 2246 2260 2471 CONECT 2246 2245 2247 2258 2259 CONECT 2247 2246 2248 2252 CONECT 2248 2247 2249 2257 CONECT 2249 2248 2250 2256 CONECT 2250 2249 2251 2255 CONECT 2251 2250 2252 2254 CONECT 2252 2247 2251 2253 CONECT 2253 2252 CONECT 2254 2251 CONECT 2255 2250 CONECT 2256 2249 CONECT 2257 2248 CONECT 2258 2246 CONECT 2259 2246 CONECT 2260 2245 2261 2262 CONECT 2261 2260 CONECT 2262 2260 2263 2470 CONECT 2263 2262 2264 2280 2469 CONECT 2264 2263 2265 2278 2279 CONECT 2265 2264 2266 2276 2277 CONECT 2266 2265 2267 2274 2275 CONECT 2267 2266 2268 2272 2273 CONECT 2268 2267 2269 2270 2271 CONECT 2269 2268 CONECT 2270 2268 CONECT 2271 2268 CONECT 2272 2267 CONECT 2273 2267 CONECT 2274 2266 CONECT 2275 2266 CONECT 2276 2265 CONECT 2277 2265 CONECT 2278 2264 CONECT 2279 2264 CONECT 2280 2263 2281 2282 CONECT 2281 2280 CONECT 2282 2280 2283 2468 CONECT 2283 2282 2284 2300 2467 CONECT 2284 2283 2285 2298 2299 CONECT 2285 2284 2286 2296 2297 CONECT 2286 2285 2287 2294 2295 CONECT 2287 2286 2288 2292 2293 CONECT 2288 2287 2289 2290 2291 CONECT 2289 2288 CONECT 2290 2288 CONECT 2291 2288 CONECT 2292 2287 CONECT 2293 2287 CONECT 2294 2286 CONECT 2295 2286 CONECT 2296 2285 CONECT 2297 2285 CONECT 2298 2284 CONECT 2299 2284 CONECT 2300 2283 2301 2302 CONECT 2301 2300 CONECT 2302 2300 2303 2466 CONECT 2303 2302 2304 2309 2465 CONECT 2304 2303 2305 2307 2308 CONECT 2305 2304 2306 CONECT 2306 2305 CONECT 2307 2304 CONECT 2308 2304 CONECT 2309 2303 2310 2311 CONECT 2310 2309 CONECT 2311 2309 2312 2464 CONECT 2312 2311 2313 2327 2463 CONECT 2313 2312 2314 2325 2326 CONECT 2314 2313 2315 2319 CONECT 2315 2314 2316 2324 CONECT 2316 2315 2317 2323 CONECT 2317 2316 2318 2322 CONECT 2318 2317 2319 2321 CONECT 2319 2314 2318 2320 CONECT 2320 2319 CONECT 2321 2318 CONECT 2322 2317 CONECT 2323 2316 CONECT 2324 2315 CONECT 2325 2313 CONECT 2326 2313 CONECT 2327 2312 2328 2329 CONECT 2328 2327 CONECT 2329 2327 2330 2462 CONECT 2330 2329 2331 2347 2461 CONECT 2331 2330 2332 2345 2346 CONECT 2332 2331 2333 2343 2344 CONECT 2333 2332 2334 2341 2342 CONECT 2334 2333 2335 2339 2340 CONECT 2335 2334 2336 2337 2338 CONECT 2336 2335 CONECT 2337 2335 CONECT 2338 2335 CONECT 2339 2334 CONECT 2340 2334 CONECT 2341 2333 CONECT 2342 2333 CONECT 2343 2332 CONECT 2344 2332 CONECT 2345 2331 CONECT 2346 2331 CONECT 2347 2330 2348 2349 CONECT 2348 2347 CONECT 2349 2347 2350 2460 CONECT 2350 2349 2351 2364 2459 CONECT 2351 2350 2352 2362 2363 CONECT 2352 2351 2353 2357 2361 CONECT 2353 2352 2354 2355 2356 CONECT 2354 2353 CONECT 2355 2353 CONECT 2356 2353 CONECT 2357 2352 2358 2359 2360 CONECT 2358 2357 CONECT 2359 2357 CONECT 2360 2357 CONECT 2361 2352 CONECT 2362 2351 CONECT 2363 2351 CONECT 2364 2350 2365 2366 CONECT 2365 2364 CONECT 2366 2364 2367 2458 CONECT 2367 2366 2368 2373 2457 CONECT 2368 2367 2369 2371 2372 CONECT 2369 2368 2370 CONECT 2370 2369 CONECT 2371 2368 CONECT 2372 2368 CONECT 2373 2367 2374 2375 CONECT 2374 2373 CONECT 2375 2373 2376 2456 CONECT 2376 2375 2377 2454 2455 CONECT 2377 2376 2378 2379 CONECT 2378 2377 CONECT 2379 2377 2380 2453 CONECT 2380 2379 2381 2395 2452 CONECT 2381 2380 2382 2393 2394 CONECT 2382 2381 2383 2387 CONECT 2383 2382 2384 2392 CONECT 2384 2383 2385 2391 CONECT 2385 2384 2386 2390 CONECT 2386 2385 2387 2389 CONECT 2387 2382 2386 2388 CONECT 2388 2387 CONECT 2389 2386 CONECT 2390 2385 CONECT 2391 2384 CONECT 2392 2383 CONECT 2393 2381 CONECT 2394 2381 CONECT 2395 2380 2396 2397 CONECT 2396 2395 CONECT 2397 2395 2398 2451 CONECT 2398 2397 2399 2404 2450 CONECT 2399 2398 2400 2402 2403 CONECT 2400 2399 2401 CONECT 2401 2400 CONECT 2402 2399 CONECT 2403 2399 CONECT 2404 2398 2405 2406 CONECT 2405 2404 CONECT 2406 2404 2407 2449 CONECT 2407 2406 2408 2422 2448 CONECT 2408 2407 2409 2420 2421 CONECT 2409 2408 2410 2414 CONECT 2410 2409 2411 2419 CONECT 2411 2410 2412 2418 CONECT 2412 2411 2413 2417 CONECT 2413 2412 2414 2416 CONECT 2414 2409 2413 2415 CONECT 2415 2414 CONECT 2416 2413 CONECT 2417 2412 CONECT 2418 2411 CONECT 2419 2410 CONECT 2420 2408 CONECT 2421 2408 CONECT 2422 2407 2423 2424 CONECT 2423 2422 CONECT 2424 2422 2425 2447 CONECT 2425 2424 2426 2442 2446 CONECT 2426 2425 2427 2440 2441 CONECT 2427 2426 2428 2438 2439 CONECT 2428 2427 2429 2436 2437 CONECT 2429 2428 2430 2434 2435 CONECT 2430 2429 2431 2432 2433 CONECT 2431 2430 CONECT 2432 2430 CONECT 2433 2430 CONECT 2434 2429 CONECT 2435 2429 CONECT 2436 2428 CONECT 2437 2428 CONECT 2438 2427 CONECT 2439 2427 CONECT 2440 2426 CONECT 2441 2426 CONECT 2442 2425 2443 2444 CONECT 2443 2442 CONECT 2444 2442 2445 CONECT 2445 2444 CONECT 2446 2425 CONECT 2447 2424 CONECT 2448 2407 CONECT 2449 2406 CONECT 2450 2398 CONECT 2451 2397 CONECT 2452 2380 CONECT 2453 2379 CONECT 2454 2376 CONECT 2455 2376 CONECT 2456 2375 CONECT 2457 2367 CONECT 2458 2366 CONECT 2459 2350 CONECT 2460 2349 CONECT 2461 2330 CONECT 2462 2329 CONECT 2463 2312 CONECT 2464 2311 CONECT 2465 2303 CONECT 2466 2302 CONECT 2467 2283 CONECT 2468 2282 CONECT 2469 2263 CONECT 2470 2262 CONECT 2471 2245 CONECT 2472 2244 CONECT 2473 2236 CONECT 2474 2235 CONECT 2475 2218 CONECT 2476 2217 CONECT 2477 2210 CONECT 2478 2209 CONECT 2479 2202 CONECT 2480 2201 CONECT 2481 2194 CONECT 2482 2193 CONECT 2483 2193 CONECT 2484 2193 MASTER 0 0 0 0 0 0 0 0 2482 2 320 12 END
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Entry Information
PDB ID
1iwq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ca2+-Calmodulin
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=8.8nM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
(2003) NAT.STRUCT.BIOL. Vol. 10: pp. 226-231
Ligand Properties
Formula
C
9
8
H
1
4
9
N
2
2
O
2
3
Molecular Weight
2003.370
Exact Mass
2002.120
No. of atoms
292
No. of bonds
296
Polar Surface Area
751.12
LOGP Value
-3.58 (
Computed with XLOGP3
)
-2.86 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 27
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 89
No. of Nitrogen and Oxygen Atoms: 45
No. of Rings: 5
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])Cc1ccccc1)CO)Cc1ccccc1)CO)CC(C)C)CCCC[NH3+])Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)C)C)CO)CCCC[NH3+])CCCC[NH3+]
InChI String
InChI=1S/C98H144N22O23/c1-58(2)47-71(89(133)117-77(54-121)85(129)104-53-81(125)107-72(48-62-29-11-6-12-30-62)90(134)119-79(56-123)96(140)116-76(52-66-37-19-10-20-38-66)93(137)111-70(98(142)143)42-24-28-46-102)113-87(131)68(40-22-26-44-100)110-92(136)75(51-65-35-17-9-18-36-65)114-95(139)78(55-122)118-88(132)69(41-23-27-45-101)108-86(130)67(39-21-25-43-99)109-91(135)74(50-64-33-15-8-16-34-64)115-97(141)80(57-124)120-94(138)73(49-63-31-13-7-14-32-63)112-84(128)61(5)106-83(127)60(4)105-82(126)59(3)103/h6-20,29-38,58-61,67-80,121-124H,21-28,39-57,99-103H2,1-5H3,(H,104,129)(H,105,126)(H,106,127)(H,107,125)(H,108,130)(H,109,135)(H,110,136)(H,111,137)(H,112,128)(H,113,131)(H,114,139)(H,115,141)(H,116,140)(H,117,133)(H,118,132)(H,119,134)(H,120,138)(H,142,143)/p+5/t59-,60-,61-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P26645
P0DP23
Entrez Gene ID
NCBI Entrez Gene ID:
17118
801
805
808
ASD
Information of known allosteric effects of PDB entries
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