Browse entries in the PDBbind-CN Database
HEADER 5HBN_COMPLEX COMPND 5HBN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 145 ARG PHE THR GLU ARG ALA GLN LYS VAL LEU ALA LEU ALA SEQRES 2 A 145 GLN GLU GLU ALA LEU ARG LEU GLY HIS ASN ASN ILE GLY SEQRES 3 A 145 THR GLU HIS ILE LEU LEU GLY LEU VAL ARG GLU GLY GLU SEQRES 4 A 145 GLY ILE ALA ALA LYS ALA LEU GLN ALA LEU GLY LEU GLY SEQRES 5 A 145 SER GLU LYS ILE GLN LYS GLU VAL GLU SER LEU ILE GLY SEQRES 6 A 145 ARG GLY GLN GLU MET SER GLN THR ILE HIS TYR THR PRO SEQRES 7 A 145 ARG ALA LYS LYS VAL ILE GLU LEU SER MET ASP GLU ALA SEQRES 8 A 145 ARG LYS LEU GLY HIS SER TYR VAL GLY THR GLU HIS ILE SEQRES 9 A 145 LEU LEU GLY LEU ILE ARG GLU GLY GLU GLY VAL ALA ALA SEQRES 10 A 145 ARG VAL LEU ASN ASN LEU GLY VAL SER LEU ASN LYS ALA SEQRES 11 A 145 ARG GLN GLN VAL LEU GLN LEU LEU GLY SER ASN GLU THR SEQRES 12 A 145 GLY SER HET RPI A 186 30 ATOM 1 N ARG A 5 7.889 9.136 0.113 1.00 39.58 N ATOM 2 CA ARG A 5 7.706 10.434 0.749 1.00 29.08 C ATOM 3 C ARG A 5 8.549 11.512 0.079 1.00 23.53 C ATOM 4 O ARG A 5 8.157 12.682 0.109 1.00 21.53 O ATOM 5 CB ARG A 5 8.048 10.382 2.236 1.00 32.47 C ATOM 6 CG ARG A 5 9.392 9.771 2.494 1.00 39.58 C ATOM 7 CD ARG A 5 9.791 9.802 3.938 1.00 38.14 C ATOM 8 NE ARG A 5 11.196 9.422 4.058 1.00 39.65 N ATOM 9 CZ ARG A 5 11.859 9.339 5.201 1.00 43.75 C ATOM 10 NH1 ARG A 5 11.250 9.597 6.348 1.00 48.39 N ATOM 11 NH2 ARG A 5 13.138 9.002 5.192 1.00 39.14 N ATOM 12 HE ARG A 5 11.713 9.201 3.183 1.00 0.00 H ATOM 13 HH12 ARG A 5 11.776 9.530 7.243 1.00 0.00 H ATOM 14 HH11 ARG A 5 10.246 9.867 6.354 1.00 0.00 H ATOM 15 HH22 ARG A 5 13.664 8.935 6.086 1.00 0.00 H ATOM 16 HH21 ARG A 5 13.617 8.804 4.290 1.00 0.00 H ATOM 17 HN3 ARG A 5 8.889 8.858 0.177 1.00 0.00 H ATOM 18 HN2 ARG A 5 7.608 9.198 -0.887 1.00 0.00 H ATOM 19 HN1 ARG A 5 7.300 8.428 0.596 1.00 0.00 H ATOM 20 N PHE A 6 9.698 11.140 -0.509 1.00 22.65 N ATOM 21 CA PHE A 6 10.475 12.060 -1.347 1.00 19.77 C ATOM 22 C PHE A 6 10.563 11.530 -2.772 1.00 20.93 C ATOM 23 O PHE A 6 10.679 10.315 -2.997 1.00 21.80 O ATOM 24 CB PHE A 6 11.887 12.262 -0.770 1.00 18.58 C ATOM 25 CG PHE A 6 11.902 13.058 0.512 1.00 20.75 C ATOM 26 CD1 PHE A 6 12.001 14.437 0.488 1.00 21.66 C ATOM 27 CD2 PHE A 6 11.753 12.437 1.730 1.00 25.46 C ATOM 28 CE1 PHE A 6 11.988 15.181 1.658 1.00 23.50 C ATOM 29 CE2 PHE A 6 11.737 13.163 2.901 1.00 28.77 C ATOM 30 CZ PHE A 6 11.852 14.552 2.860 1.00 29.21 C ATOM 31 H PHE A 6 10.047 10.171 -0.366 1.00 0.00 H ATOM 32 N THR A 7 10.507 12.442 -3.740 1.00 16.49 N ATOM 33 CA THR A 7 10.753 12.063 -5.122 1.00 18.54 C ATOM 34 C THR A 7 12.203 11.640 -5.302 1.00 18.15 C ATOM 35 O THR A 7 13.085 11.917 -4.469 1.00 18.89 O ATOM 36 CB THR A 7 10.475 13.210 -6.099 1.00 18.59 C ATOM 37 OG1 THR A 7 11.456 14.226 -5.904 1.00 19.64 O ATOM 38 CG2 THR A 7 9.094 13.787 -5.903 1.00 20.84 C ATOM 39 HG1 THR A 7 11.285 14.973 -6.531 1.00 0.00 H ATOM 40 H THR A 7 10.286 13.431 -3.506 1.00 0.00 H ATOM 41 N GLU A 8 12.457 10.989 -6.433 1.00 19.66 N ATOM 42 CA GLU A 8 13.816 10.560 -6.739 1.00 18.53 C ATOM 43 C GLU A 8 14.771 11.746 -6.844 1.00 17.41 C ATOM 44 O GLU A 8 15.906 11.677 -6.374 1.00 20.05 O ATOM 45 CB GLU A 8 13.827 9.741 -8.017 1.00 24.90 C ATOM 46 CG GLU A 8 13.171 8.370 -7.788 1.00 40.37 C ATOM 47 CD GLU A 8 13.467 7.369 -8.886 1.00 46.90 C ATOM 48 OE1 GLU A 8 12.736 7.350 -9.898 1.00 68.02 O ATOM 49 OE2 GLU A 8 14.443 6.606 -8.743 1.00 43.94 O ATOM 50 H GLU A 8 11.685 10.786 -7.100 1.00 0.00 H ATOM 51 N ARG A 9 14.310 12.853 -7.431 1.00 18.21 N ATOM 52 CA ARG A 9 15.202 13.999 -7.569 1.00 19.85 C ATOM 53 C ARG A 9 15.375 14.748 -6.250 1.00 17.66 C ATOM 54 O ARG A 9 16.454 15.278 -6.004 1.00 17.79 O ATOM 55 CB ARG A 9 14.723 14.921 -8.684 1.00 21.75 C ATOM 56 CG ARG A 9 14.926 14.268 -10.065 1.00 22.78 C ATOM 57 CD ARG A 9 14.539 15.208 -11.174 1.00 29.49 C ATOM 58 NE ARG A 9 14.173 14.545 -12.420 1.00 50.39 N ATOM 59 CZ ARG A 9 13.093 14.840 -13.149 1.00 65.65 C ATOM 60 NH1 ARG A 9 12.855 14.167 -14.265 1.00 75.42 N ATOM 61 NH2 ARG A 9 12.251 15.809 -12.789 1.00 51.23 N ATOM 62 HE ARG A 9 14.797 13.788 -12.766 1.00 0.00 H ATOM 63 HH12 ARG A 9 12.016 14.390 -14.838 1.00 0.00 H ATOM 64 HH11 ARG A 9 13.507 13.415 -14.568 1.00 0.00 H ATOM 65 HH22 ARG A 9 11.418 16.018 -13.375 1.00 0.00 H ATOM 66 HH21 ARG A 9 12.428 16.356 -11.922 1.00 0.00 H ATOM 67 H ARG A 9 13.333 12.897 -7.784 1.00 0.00 H ATOM 68 N ALA A 10 14.383 14.732 -5.367 1.00 16.23 N ATOM 69 CA ALA A 10 14.568 15.285 -4.027 1.00 16.40 C ATOM 70 C ALA A 10 15.606 14.474 -3.254 1.00 18.18 C ATOM 71 O ALA A 10 16.434 15.038 -2.529 1.00 17.67 O ATOM 72 CB ALA A 10 13.230 15.334 -3.276 1.00 16.96 C ATOM 73 H ALA A 10 13.465 14.322 -5.632 1.00 0.00 H ATOM 74 N GLN A 11 15.588 13.148 -3.406 1.00 18.33 N ATOM 75 CA GLN A 11 16.645 12.338 -2.805 1.00 17.87 C ATOM 76 C GLN A 11 18.025 12.727 -3.330 1.00 15.12 C ATOM 77 O GLN A 11 19.000 12.767 -2.562 1.00 17.92 O ATOM 78 CB GLN A 11 16.342 10.862 -3.047 1.00 16.46 C ATOM 79 CG GLN A 11 15.133 10.366 -2.316 1.00 18.21 C ATOM 80 CD GLN A 11 14.735 8.950 -2.759 1.00 21.36 C ATOM 81 OE1 GLN A 11 15.094 8.511 -3.839 1.00 20.28 O ATOM 82 NE2 GLN A 11 13.946 8.278 -1.943 1.00 24.84 N ATOM 83 HE22 GLN A 11 13.666 8.693 -1.031 1.00 0.00 H ATOM 84 HE21 GLN A 11 13.604 7.333 -2.211 1.00 0.00 H ATOM 85 H GLN A 11 14.826 12.694 -3.949 1.00 0.00 H ATOM 86 N LYS A 12 18.151 12.989 -4.639 1.00 17.96 N ATOM 87 CA LYS A 12 19.433 13.455 -5.190 1.00 17.23 C ATOM 88 C LYS A 12 19.869 14.779 -4.568 1.00 16.40 C ATOM 89 O LYS A 12 21.056 14.973 -4.288 1.00 16.55 O ATOM 90 CB LYS A 12 19.349 13.606 -6.709 1.00 21.30 C ATOM 91 CG LYS A 12 19.177 12.280 -7.483 1.00 25.16 C ATOM 92 CD LYS A 12 18.699 12.529 -8.911 1.00 29.04 C ATOM 93 CE LYS A 12 19.753 13.197 -9.789 1.00 32.17 C ATOM 94 NZ LYS A 12 19.114 13.821 -11.008 1.00 35.67 N ATOM 95 HZ1 LYS A 12 18.633 13.084 -11.561 1.00 0.00 H ATOM 96 HZ2 LYS A 12 18.423 14.537 -10.707 1.00 0.00 H ATOM 97 HZ3 LYS A 12 19.849 14.270 -11.592 1.00 0.00 H ATOM 98 H LYS A 12 17.335 12.862 -5.271 1.00 0.00 H ATOM 99 N VAL A 13 18.936 15.721 -4.378 1.00 16.49 N ATOM 100 CA VAL A 13 19.268 16.984 -3.723 1.00 17.82 C ATOM 101 C VAL A 13 19.851 16.749 -2.338 1.00 18.64 C ATOM 102 O VAL A 13 20.852 17.368 -1.966 1.00 17.33 O ATOM 103 CB VAL A 13 18.030 17.900 -3.658 1.00 16.77 C ATOM 104 CG1 VAL A 13 18.268 19.049 -2.724 1.00 17.00 C ATOM 105 CG2 VAL A 13 17.692 18.375 -5.075 1.00 19.93 C ATOM 106 H VAL A 13 17.962 15.551 -4.701 1.00 0.00 H ATOM 107 N LEU A 14 19.238 15.852 -1.555 1.00 17.34 N ATOM 108 CA LEU A 14 19.727 15.617 -0.198 1.00 16.18 C ATOM 109 C LEU A 14 21.101 14.960 -0.227 1.00 17.80 C ATOM 110 O LEU A 14 21.953 15.279 0.603 1.00 19.02 O ATOM 111 CB LEU A 14 18.748 14.781 0.607 1.00 17.26 C ATOM 112 CG LEU A 14 17.362 15.388 0.864 1.00 17.86 C ATOM 113 CD1 LEU A 14 16.440 14.328 1.433 1.00 24.44 C ATOM 114 CD2 LEU A 14 17.488 16.556 1.786 1.00 22.32 C ATOM 115 H LEU A 14 18.416 15.324 -1.912 1.00 0.00 H ATOM 116 N ALA A 15 21.355 14.104 -1.214 1.00 16.77 N ATOM 117 CA ALA A 15 22.700 13.566 -1.374 1.00 16.55 C ATOM 118 C ALA A 15 23.699 14.659 -1.700 1.00 15.94 C ATOM 119 O ALA A 15 24.813 14.679 -1.157 1.00 17.38 O ATOM 120 CB ALA A 15 22.712 12.517 -2.471 1.00 18.46 C ATOM 121 H ALA A 15 20.598 13.820 -1.868 1.00 0.00 H ATOM 122 N LEU A 16 23.345 15.562 -2.625 1.00 17.02 N ATOM 123 CA LEU A 16 24.286 16.614 -3.002 1.00 16.88 C ATOM 124 C LEU A 16 24.503 17.642 -1.905 1.00 16.85 C ATOM 125 O LEU A 16 25.617 18.182 -1.798 1.00 17.71 O ATOM 126 CB LEU A 16 23.846 17.324 -4.263 1.00 15.34 C ATOM 127 CG LEU A 16 23.869 16.429 -5.493 1.00 19.57 C ATOM 128 CD1 LEU A 16 23.357 17.218 -6.704 1.00 27.07 C ATOM 129 CD2 LEU A 16 25.287 15.841 -5.775 1.00 23.24 C ATOM 130 H LEU A 16 22.407 15.514 -3.071 1.00 0.00 H ATOM 131 N ALA A 17 23.509 17.879 -1.057 1.00 17.03 N ATOM 132 CA ALA A 17 23.707 18.749 0.094 1.00 17.68 C ATOM 133 C ALA A 17 24.814 18.220 0.984 1.00 17.53 C ATOM 134 O ALA A 17 25.686 18.980 1.412 1.00 18.76 O ATOM 135 CB ALA A 17 22.425 18.867 0.901 1.00 21.53 C ATOM 136 H ALA A 17 22.580 17.439 -1.216 1.00 0.00 H ATOM 137 N GLN A 18 24.801 16.900 1.252 1.00 17.84 N ATOM 138 CA GLN A 18 25.854 16.297 2.063 1.00 17.55 C ATOM 139 C GLN A 18 27.184 16.279 1.328 1.00 18.16 C ATOM 140 O GLN A 18 28.232 16.551 1.923 1.00 20.61 O ATOM 141 CB GLN A 18 25.478 14.874 2.447 1.00 19.87 C ATOM 142 CG GLN A 18 24.314 14.735 3.358 1.00 21.19 C ATOM 143 CD GLN A 18 24.219 13.308 3.895 1.00 22.36 C ATOM 144 OE1 GLN A 18 25.202 12.750 4.330 1.00 27.20 O ATOM 145 NE2 GLN A 18 23.033 12.747 3.879 1.00 28.69 N ATOM 146 HE22 GLN A 18 22.217 13.266 3.495 1.00 0.00 H ATOM 147 HE21 GLN A 18 22.908 11.784 4.250 1.00 0.00 H ATOM 148 H GLN A 18 24.034 16.305 0.878 1.00 0.00 H ATOM 149 N GLU A 19 27.148 15.976 0.029 1.00 16.65 N ATOM 150 CA GLU A 19 28.344 15.979 -0.798 1.00 17.14 C ATOM 151 C GLU A 19 29.042 17.327 -0.733 1.00 18.40 C ATOM 152 O GLU A 19 30.272 17.403 -0.625 1.00 20.62 O ATOM 153 CB GLU A 19 27.959 15.650 -2.247 1.00 17.60 C ATOM 154 CG GLU A 19 29.148 15.513 -3.200 1.00 18.63 C ATOM 155 CD GLU A 19 29.606 16.852 -3.733 1.00 29.32 C ATOM 156 OE1 GLU A 19 28.734 17.743 -3.957 1.00 25.62 O ATOM 157 OE2 GLU A 19 30.820 17.010 -3.912 1.00 28.86 O ATOM 158 H GLU A 19 26.236 15.730 -0.406 1.00 0.00 H ATOM 159 N GLU A 20 28.262 18.401 -0.811 1.00 16.96 N ATOM 160 CA GLU A 20 28.858 19.726 -0.877 1.00 18.29 C ATOM 161 C GLU A 20 29.432 20.127 0.469 1.00 19.17 C ATOM 162 O GLU A 20 30.500 20.742 0.528 1.00 22.53 O ATOM 163 CB GLU A 20 27.817 20.726 -1.372 1.00 20.12 C ATOM 164 CG GLU A 20 27.471 20.547 -2.850 1.00 24.49 C ATOM 165 CD GLU A 20 28.606 20.943 -3.780 1.00 36.48 C ATOM 166 OE1 GLU A 20 28.752 22.149 -4.052 1.00 34.16 O ATOM 167 OE2 GLU A 20 29.386 20.066 -4.225 1.00 29.45 O ATOM 168 H GLU A 20 27.228 18.294 -0.825 1.00 0.00 H ATOM 169 N ALA A 21 28.756 19.772 1.557 1.00 19.16 N ATOM 170 CA ALA A 21 29.290 20.064 2.881 1.00 22.63 C ATOM 171 C ALA A 21 30.637 19.381 3.080 1.00 27.56 C ATOM 172 O ALA A 21 31.590 20.013 3.550 1.00 23.88 O ATOM 173 CB ALA A 21 28.295 19.634 3.957 1.00 23.04 C ATOM 174 H ALA A 21 27.842 19.284 1.463 1.00 0.00 H ATOM 175 N LEU A 22 30.753 18.110 2.678 1.00 19.49 N ATOM 176 CA LEU A 22 32.053 17.430 2.740 1.00 19.85 C ATOM 177 C LEU A 22 33.079 18.092 1.830 1.00 23.83 C ATOM 178 O LEU A 22 34.216 18.358 2.245 1.00 27.29 O ATOM 179 CB LEU A 22 31.881 15.963 2.351 1.00 20.69 C ATOM 180 CG LEU A 22 31.169 15.167 3.426 1.00 20.58 C ATOM 181 CD1 LEU A 22 30.710 13.846 2.816 1.00 24.49 C ATOM 182 CD2 LEU A 22 32.064 14.901 4.654 1.00 30.21 C ATOM 183 H LEU A 22 29.919 17.602 2.320 1.00 0.00 H ATOM 184 N ARG A 23 32.714 18.304 0.564 1.00 21.54 N ATOM 185 CA ARG A 23 33.644 18.822 -0.433 1.00 24.68 C ATOM 186 C ARG A 23 34.231 20.163 -0.007 1.00 30.20 C ATOM 187 O ARG A 23 35.414 20.443 -0.264 1.00 28.82 O ATOM 188 CB ARG A 23 32.933 18.974 -1.778 1.00 31.19 C ATOM 189 CG ARG A 23 33.860 19.360 -2.935 1.00 32.41 C ATOM 190 CD ARG A 23 33.119 19.498 -4.267 1.00 37.43 C ATOM 191 NE ARG A 23 32.180 20.613 -4.269 1.00 32.72 N ATOM 192 CZ ARG A 23 32.473 21.857 -4.638 1.00 46.14 C ATOM 193 NH1 ARG A 23 33.693 22.170 -5.052 1.00 51.73 N ATOM 194 NH2 ARG A 23 31.538 22.796 -4.593 1.00 43.73 N ATOM 195 HE ARG A 23 31.206 20.421 -3.958 1.00 0.00 H ATOM 196 HH12 ARG A 23 33.911 23.146 -5.338 1.00 0.00 H ATOM 197 HH11 ARG A 23 34.432 21.440 -5.091 1.00 0.00 H ATOM 198 HH22 ARG A 23 31.764 23.769 -4.881 1.00 0.00 H ATOM 199 HH21 ARG A 23 30.578 22.559 -4.270 1.00 0.00 H ATOM 200 H ARG A 23 31.736 18.093 0.279 1.00 0.00 H ATOM 201 N LEU A 24 33.425 21.010 0.642 1.00 22.80 N ATOM 202 CA LEU A 24 33.857 22.356 1.032 1.00 22.83 C ATOM 203 C LEU A 24 34.532 22.409 2.397 1.00 25.72 C ATOM 204 O LEU A 24 34.933 23.499 2.830 1.00 27.65 O ATOM 205 CB LEU A 24 32.670 23.337 1.025 1.00 24.61 C ATOM 206 CG LEU A 24 32.019 23.473 -0.346 1.00 27.60 C ATOM 207 CD1 LEU A 24 30.769 24.307 -0.240 1.00 27.11 C ATOM 208 CD2 LEU A 24 32.960 24.087 -1.370 1.00 33.47 C ATOM 209 H LEU A 24 32.459 20.704 0.878 1.00 0.00 H ATOM 210 N GLY A 25 34.687 21.277 3.076 1.00 25.72 N ATOM 211 CA GLY A 25 35.291 21.248 4.389 1.00 29.16 C ATOM 212 C GLY A 25 34.428 21.806 5.491 1.00 30.20 C ATOM 213 O GLY A 25 34.954 22.378 6.445 1.00 31.16 O ATOM 214 H GLY A 25 34.364 20.385 2.650 1.00 0.00 H ATOM 215 N HIS A 26 33.109 21.669 5.383 1.00 26.67 N ATOM 216 CA HIS A 26 32.191 22.159 6.402 1.00 27.26 C ATOM 217 C HIS A 26 31.713 20.991 7.264 1.00 35.05 C ATOM 218 O HIS A 26 31.508 19.879 6.765 1.00 35.61 O ATOM 219 CB HIS A 26 30.992 22.877 5.758 1.00 29.49 C ATOM 220 CG HIS A 26 31.378 24.020 4.859 1.00 26.58 C ATOM 221 ND1 HIS A 26 30.545 24.522 3.885 1.00 25.06 N ATOM 222 CD2 HIS A 26 32.507 24.770 4.799 1.00 28.15 C ATOM 223 CE1 HIS A 26 31.146 25.511 3.247 1.00 31.12 C ATOM 224 NE2 HIS A 26 32.345 25.678 3.780 1.00 28.13 N ATOM 225 H HIS A 26 32.720 21.196 4.542 1.00 0.00 H ATOM 226 N ASN A 27 31.533 21.242 8.557 1.00 27.72 N ATOM 227 CA ASN A 27 31.038 20.217 9.468 1.00 31.43 C ATOM 228 C ASN A 27 29.530 20.273 9.648 1.00 33.05 C ATOM 229 O ASN A 27 28.961 19.440 10.364 1.00 35.77 O ATOM 230 CB ASN A 27 31.723 20.349 10.823 1.00 42.13 C ATOM 231 CG ASN A 27 33.194 20.031 10.740 1.00 44.83 C ATOM 232 OD1 ASN A 27 33.575 18.885 10.518 1.00 55.87 O ATOM 233 ND2 ASN A 27 34.027 21.049 10.882 1.00 51.73 N ATOM 234 HD22 ASN A 27 33.656 22.002 11.069 1.00 0.00 H ATOM 235 HD21 ASN A 27 35.053 20.896 10.806 1.00 0.00 H ATOM 236 H ASN A 27 31.750 22.190 8.927 1.00 0.00 H ATOM 237 N ASN A 28 28.871 21.199 8.986 1.00 26.81 N ATOM 238 CA ASN A 28 27.422 21.303 9.039 1.00 25.66 C ATOM 239 C ASN A 28 26.850 21.133 7.644 1.00 24.57 C ATOM 240 O ASN A 28 27.462 21.565 6.658 1.00 26.76 O ATOM 241 CB ASN A 28 26.958 22.662 9.565 1.00 34.32 C ATOM 242 CG ASN A 28 27.365 22.912 10.988 1.00 46.62 C ATOM 243 OD1 ASN A 28 26.843 22.289 11.912 1.00 54.86 O ATOM 244 ND2 ASN A 28 28.283 23.853 11.182 1.00 51.67 N ATOM 245 HD22 ASN A 28 28.696 24.353 10.368 1.00 0.00 H ATOM 246 HD21 ASN A 28 28.589 24.090 12.147 1.00 0.00 H ATOM 247 H ASN A 28 29.404 21.878 8.406 1.00 0.00 H ATOM 248 N ILE A 29 25.659 20.545 7.582 1.00 21.15 N ATOM 249 CA ILE A 29 24.831 20.562 6.376 1.00 20.29 C ATOM 250 C ILE A 29 23.775 21.624 6.655 1.00 17.74 C ATOM 251 O ILE A 29 22.820 21.384 7.395 1.00 19.98 O ATOM 252 CB ILE A 29 24.188 19.208 6.059 1.00 20.67 C ATOM 253 CG1 ILE A 29 25.218 18.048 6.075 1.00 22.36 C ATOM 254 CG2 ILE A 29 23.516 19.276 4.682 1.00 22.89 C ATOM 255 CD1 ILE A 29 24.610 16.810 6.494 1.00 25.26 C ATOM 256 H ILE A 29 25.301 20.053 8.425 1.00 0.00 H ATOM 257 N GLY A 30 23.943 22.813 6.079 1.00 19.99 N ATOM 258 CA GLY A 30 23.068 23.926 6.363 1.00 19.20 C ATOM 259 C GLY A 30 22.161 24.262 5.192 1.00 17.28 C ATOM 260 O GLY A 30 22.172 23.615 4.154 1.00 17.37 O ATOM 261 H GLY A 30 24.726 22.943 5.407 1.00 0.00 H ATOM 262 N THR A 31 21.392 25.348 5.375 1.00 17.05 N ATOM 263 CA THR A 31 20.525 25.821 4.298 1.00 16.96 C ATOM 264 C THR A 31 21.326 26.098 3.034 1.00 16.48 C ATOM 265 O THR A 31 20.808 25.901 1.930 1.00 17.35 O ATOM 266 CB THR A 31 19.742 27.074 4.713 1.00 16.67 C ATOM 267 OG1 THR A 31 20.650 28.172 4.943 1.00 18.10 O ATOM 268 CG2 THR A 31 18.885 26.812 5.936 1.00 20.99 C ATOM 269 HG1 THR A 31 21.283 27.930 5.665 1.00 0.00 H ATOM 270 H THR A 31 21.414 25.853 6.284 1.00 0.00 H ATOM 271 N GLU A 32 22.588 26.554 3.168 1.00 16.47 N ATOM 272 CA GLU A 32 23.388 26.853 1.990 1.00 16.25 C ATOM 273 C GLU A 32 23.716 25.594 1.204 1.00 15.77 C ATOM 274 O GLU A 32 23.838 25.649 -0.025 1.00 16.95 O ATOM 275 CB GLU A 32 24.669 27.600 2.384 1.00 19.66 C ATOM 276 CG GLU A 32 25.678 26.829 3.229 1.00 19.77 C ATOM 277 CD GLU A 32 25.456 26.921 4.729 1.00 20.08 C ATOM 278 OE1 GLU A 32 24.301 27.024 5.160 1.00 20.36 O ATOM 279 OE2 GLU A 32 26.473 26.819 5.485 1.00 25.74 O ATOM 280 H GLU A 32 22.991 26.692 4.117 1.00 0.00 H ATOM 281 N HIS A 33 23.855 24.463 1.884 1.00 16.53 N ATOM 282 CA HIS A 33 24.119 23.204 1.172 1.00 16.92 C ATOM 283 C HIS A 33 22.859 22.647 0.542 1.00 15.66 C ATOM 284 O HIS A 33 22.929 22.028 -0.523 1.00 16.32 O ATOM 285 CB HIS A 33 24.743 22.186 2.116 1.00 17.95 C ATOM 286 CG HIS A 33 25.980 22.709 2.763 1.00 18.07 C ATOM 287 ND1 HIS A 33 25.996 23.173 4.058 1.00 21.65 N ATOM 288 CD2 HIS A 33 27.213 22.946 2.259 1.00 19.70 C ATOM 289 CE1 HIS A 33 27.210 23.625 4.344 1.00 20.47 C ATOM 290 NE2 HIS A 33 27.961 23.497 3.267 1.00 20.10 N ATOM 291 H HIS A 33 23.777 24.467 2.921 1.00 0.00 H ATOM 292 N ILE A 34 21.711 22.844 1.171 1.00 16.01 N ATOM 293 CA ILE A 34 20.450 22.513 0.521 1.00 16.23 C ATOM 294 C ILE A 34 20.306 23.311 -0.772 1.00 15.55 C ATOM 295 O ILE A 34 19.972 22.759 -1.828 1.00 16.40 O ATOM 296 CB ILE A 34 19.269 22.759 1.480 1.00 17.21 C ATOM 297 CG1 ILE A 34 19.326 21.771 2.645 1.00 19.15 C ATOM 298 CG2 ILE A 34 17.927 22.564 0.744 1.00 17.62 C ATOM 299 CD1 ILE A 34 18.312 22.051 3.765 1.00 21.11 C ATOM 300 H ILE A 34 21.709 23.237 2.134 1.00 0.00 H ATOM 301 N LEU A 35 20.602 24.618 -0.714 1.00 15.93 N ATOM 302 CA LEU A 35 20.525 25.451 -1.908 1.00 16.32 C ATOM 303 C LEU A 35 21.478 24.957 -2.979 1.00 17.24 C ATOM 304 O LEU A 35 21.109 24.879 -4.155 1.00 17.00 O ATOM 305 CB LEU A 35 20.804 26.914 -1.551 1.00 16.68 C ATOM 306 CG LEU A 35 20.753 27.895 -2.724 1.00 17.98 C ATOM 307 CD1 LEU A 35 19.407 27.937 -3.426 1.00 19.04 C ATOM 308 CD2 LEU A 35 21.167 29.285 -2.222 1.00 19.83 C ATOM 309 H LEU A 35 20.889 25.041 0.192 1.00 0.00 H ATOM 310 N LEU A 36 22.713 24.620 -2.604 1.00 16.92 N ATOM 311 CA LEU A 36 23.640 24.065 -3.580 1.00 15.92 C ATOM 312 C LEU A 36 23.124 22.769 -4.179 1.00 15.85 C ATOM 313 O LEU A 36 23.248 22.540 -5.387 1.00 17.73 O ATOM 314 CB LEU A 36 24.999 23.798 -2.945 1.00 17.68 C ATOM 315 CG LEU A 36 25.858 25.027 -2.717 1.00 20.71 C ATOM 316 CD1 LEU A 36 27.017 24.698 -1.822 1.00 21.71 C ATOM 317 CD2 LEU A 36 26.356 25.526 -4.064 1.00 19.81 C ATOM 318 H LEU A 36 23.013 24.753 -1.617 1.00 0.00 H ATOM 319 N GLY A 37 22.562 21.895 -3.345 1.00 17.66 N ATOM 320 CA GLY A 37 21.997 20.671 -3.863 1.00 18.09 C ATOM 321 C GLY A 37 20.862 20.892 -4.841 1.00 16.63 C ATOM 322 O GLY A 37 20.759 20.184 -5.847 1.00 19.01 O ATOM 323 H GLY A 37 22.530 22.094 -2.325 1.00 0.00 H ATOM 324 N LEU A 38 19.985 21.857 -4.556 1.00 16.96 N ATOM 325 CA LEU A 38 18.880 22.160 -5.461 1.00 14.42 C ATOM 326 C LEU A 38 19.378 22.590 -6.827 1.00 18.58 C ATOM 327 O LEU A 38 18.811 22.190 -7.848 1.00 20.61 O ATOM 328 CB LEU A 38 18.000 23.247 -4.850 1.00 17.27 C ATOM 329 CG LEU A 38 17.157 22.840 -3.655 1.00 16.26 C ATOM 330 CD1 LEU A 38 16.652 24.084 -2.912 1.00 18.58 C ATOM 331 CD2 LEU A 38 15.976 21.919 -4.058 1.00 16.31 C ATOM 332 H LEU A 38 20.090 22.401 -3.676 1.00 0.00 H ATOM 333 N VAL A 39 20.402 23.444 -6.880 1.00 20.56 N ATOM 334 CA VAL A 39 20.818 23.958 -8.180 1.00 19.81 C ATOM 335 C VAL A 39 21.737 22.965 -8.888 1.00 20.97 C ATOM 336 O VAL A 39 21.633 22.771 -10.106 1.00 24.30 O ATOM 337 CB VAL A 39 21.447 25.366 -8.022 1.00 21.50 C ATOM 338 CG1 VAL A 39 22.771 25.325 -7.345 1.00 20.07 C ATOM 339 CG2 VAL A 39 21.522 26.064 -9.372 1.00 31.97 C ATOM 340 H VAL A 39 20.894 23.737 -6.012 1.00 0.00 H ATOM 341 N ARG A 40 22.579 22.249 -8.152 1.00 20.73 N ATOM 342 CA ARG A 40 23.515 21.345 -8.819 1.00 22.43 C ATOM 343 C ARG A 40 22.882 20.038 -9.239 1.00 23.17 C ATOM 344 O ARG A 40 23.411 19.379 -10.139 1.00 23.11 O ATOM 345 CB ARG A 40 24.723 21.097 -7.936 1.00 23.14 C ATOM 346 CG ARG A 40 25.453 22.413 -7.617 1.00 28.09 C ATOM 347 CD ARG A 40 26.825 22.145 -7.183 1.00 34.04 C ATOM 348 NE ARG A 40 27.650 21.774 -8.324 1.00 33.82 N ATOM 349 CZ ARG A 40 28.966 21.614 -8.261 1.00 45.49 C ATOM 350 NH1 ARG A 40 29.599 21.797 -7.107 1.00 31.86 N ATOM 351 NH2 ARG A 40 29.640 21.283 -9.351 1.00 43.19 N ATOM 352 HE ARG A 40 27.181 21.626 -9.241 1.00 0.00 H ATOM 353 HH12 ARG A 40 30.630 21.672 -7.054 1.00 0.00 H ATOM 354 HH11 ARG A 40 29.063 22.065 -6.257 1.00 0.00 H ATOM 355 HH22 ARG A 40 30.671 21.157 -9.306 1.00 0.00 H ATOM 356 HH21 ARG A 40 29.138 21.149 -10.252 1.00 0.00 H ATOM 357 H ARG A 40 22.573 22.330 -7.115 1.00 0.00 H ATOM 358 N GLU A 41 21.752 19.665 -8.649 1.00 20.11 N ATOM 359 CA GLU A 41 21.049 18.488 -9.147 1.00 18.90 C ATOM 360 C GLU A 41 20.690 18.644 -10.620 1.00 22.74 C ATOM 361 O GLU A 41 20.731 17.668 -11.379 1.00 23.76 O ATOM 362 CB GLU A 41 19.838 18.237 -8.272 1.00 19.78 C ATOM 363 CG GLU A 41 19.122 16.928 -8.588 1.00 22.18 C ATOM 364 CD GLU A 41 18.112 17.081 -9.708 1.00 26.99 C ATOM 365 OE1 GLU A 41 17.653 18.227 -9.944 1.00 24.89 O ATOM 366 OE2 GLU A 41 17.766 16.057 -10.349 1.00 26.90 O ATOM 367 H GLU A 41 21.374 20.204 -7.844 1.00 0.00 H ATOM 368 N GLY A 42 20.382 19.864 -11.047 1.00 21.73 N ATOM 369 CA GLY A 42 20.410 20.257 -12.444 1.00 26.50 C ATOM 370 C GLY A 42 19.312 19.727 -13.332 1.00 28.80 C ATOM 371 O GLY A 42 19.388 19.914 -14.552 1.00 33.52 O ATOM 372 H GLY A 42 20.106 20.576 -10.342 1.00 0.00 H ATOM 373 N GLU A 43 18.285 19.091 -12.782 1.00 24.43 N ATOM 374 CA GLU A 43 17.297 18.433 -13.631 1.00 26.30 C ATOM 375 C GLU A 43 15.887 18.622 -13.110 1.00 24.67 C ATOM 376 O GLU A 43 14.933 18.694 -13.890 1.00 30.11 O ATOM 377 CB GLU A 43 17.558 16.936 -13.735 1.00 35.36 C ATOM 378 CG GLU A 43 16.438 16.200 -14.485 1.00 55.87 C ATOM 379 CD GLU A 43 16.740 14.742 -14.703 1.00 57.19 C ATOM 380 OE1 GLU A 43 15.795 13.919 -14.611 1.00 46.34 O ATOM 381 OE2 GLU A 43 17.920 14.431 -14.970 1.00 55.52 O ATOM 382 H GLU A 43 18.184 19.062 -11.747 1.00 0.00 H ATOM 383 N GLY A 44 15.752 18.638 -11.795 1.00 21.03 N ATOM 384 CA GLY A 44 14.458 18.714 -11.165 1.00 19.84 C ATOM 385 C GLY A 44 13.784 20.065 -11.338 1.00 19.57 C ATOM 386 O GLY A 44 14.357 21.023 -11.844 1.00 19.57 O ATOM 387 H GLY A 44 16.603 18.595 -11.199 1.00 0.00 H ATOM 388 N ILE A 45 12.527 20.123 -10.900 1.00 16.40 N ATOM 389 CA ILE A 45 11.770 21.363 -11.027 1.00 18.06 C ATOM 390 C ILE A 45 12.482 22.509 -10.306 1.00 20.60 C ATOM 391 O ILE A 45 12.520 23.650 -10.798 1.00 20.26 O ATOM 392 CB ILE A 45 10.342 21.160 -10.515 1.00 21.08 C ATOM 393 CG1 ILE A 45 9.655 20.043 -11.318 1.00 24.69 C ATOM 394 CG2 ILE A 45 9.583 22.473 -10.598 1.00 21.36 C ATOM 395 CD1 ILE A 45 8.199 19.860 -11.005 1.00 30.37 C ATOM 396 H ILE A 45 12.087 19.286 -10.468 1.00 0.00 H ATOM 397 N ALA A 46 13.087 22.236 -9.144 1.00 18.84 N ATOM 398 CA ALA A 46 13.772 23.320 -8.440 1.00 19.02 C ATOM 399 C ALA A 46 14.910 23.885 -9.276 1.00 19.51 C ATOM 400 O ALA A 46 15.074 25.104 -9.355 1.00 18.71 O ATOM 401 CB ALA A 46 14.300 22.872 -7.079 1.00 19.83 C ATOM 402 H ALA A 46 13.071 21.274 -8.750 1.00 0.00 H ATOM 403 N ALA A 47 15.736 23.020 -9.890 1.00 17.04 N ATOM 404 CA ALA A 47 16.845 23.546 -10.672 1.00 18.71 C ATOM 405 C ALA A 47 16.344 24.383 -11.832 1.00 21.45 C ATOM 406 O ALA A 47 16.942 25.411 -12.157 1.00 21.24 O ATOM 407 CB ALA A 47 17.740 22.422 -11.194 1.00 19.37 C ATOM 408 H ALA A 47 15.585 21.994 -9.808 1.00 0.00 H ATOM 409 N LYS A 48 15.248 23.950 -12.461 1.00 17.37 N ATOM 410 CA LYS A 48 14.688 24.677 -13.582 1.00 19.32 C ATOM 411 C LYS A 48 14.067 26.006 -13.124 1.00 22.24 C ATOM 412 O LYS A 48 14.198 27.027 -13.809 1.00 21.57 O ATOM 413 CB LYS A 48 13.664 23.796 -14.304 1.00 21.28 C ATOM 414 CG LYS A 48 14.307 22.626 -15.034 1.00 22.84 C ATOM 415 CD LYS A 48 13.314 21.721 -15.761 1.00 30.84 C ATOM 416 CE LYS A 48 12.387 21.018 -14.801 1.00 45.48 C ATOM 417 NZ LYS A 48 11.656 19.881 -15.461 1.00 47.91 N ATOM 418 HZ1 LYS A 48 11.090 20.247 -16.253 1.00 0.00 H ATOM 419 HZ2 LYS A 48 12.345 19.188 -15.817 1.00 0.00 H ATOM 420 HZ3 LYS A 48 11.030 19.424 -14.768 1.00 0.00 H ATOM 421 H LYS A 48 14.788 23.074 -12.140 1.00 0.00 H ATOM 422 N ALA A 49 13.400 26.007 -11.966 1.00 18.11 N ATOM 423 CA ALA A 49 12.848 27.243 -11.408 1.00 18.09 C ATOM 424 C ALA A 49 13.945 28.204 -10.982 1.00 17.83 C ATOM 425 O ALA A 49 13.859 29.411 -11.263 1.00 20.19 O ATOM 426 CB ALA A 49 11.940 26.910 -10.231 1.00 20.00 C ATOM 427 H ALA A 49 13.271 25.113 -11.451 1.00 0.00 H ATOM 428 N LEU A 50 15.007 27.700 -10.332 1.00 18.43 N ATOM 429 CA LEU A 50 16.109 28.580 -9.960 1.00 19.63 C ATOM 430 C LEU A 50 16.734 29.179 -11.204 1.00 21.69 C ATOM 431 O LEU A 50 17.042 30.381 -11.250 1.00 19.17 O ATOM 432 CB LEU A 50 17.132 27.805 -9.121 1.00 18.83 C ATOM 433 CG LEU A 50 16.635 27.511 -7.696 1.00 19.30 C ATOM 434 CD1 LEU A 50 17.466 26.380 -7.097 1.00 21.92 C ATOM 435 CD2 LEU A 50 16.745 28.739 -6.817 1.00 24.44 C ATOM 436 H LEU A 50 15.043 26.688 -10.095 1.00 0.00 H ATOM 437 N GLN A 51 16.911 28.365 -12.243 1.00 20.25 N ATOM 438 CA GLN A 51 17.496 28.891 -13.465 1.00 25.63 C ATOM 439 C GLN A 51 16.590 29.936 -14.099 1.00 25.06 C ATOM 440 O GLN A 51 17.092 30.943 -14.622 1.00 23.31 O ATOM 441 CB GLN A 51 17.780 27.755 -14.444 1.00 26.13 C ATOM 442 CG GLN A 51 18.487 28.185 -15.706 1.00 26.43 C ATOM 443 CD GLN A 51 19.820 28.863 -15.435 1.00 33.27 C ATOM 444 OE1 GLN A 51 19.883 30.070 -15.154 1.00 44.22 O ATOM 445 NE2 GLN A 51 20.879 28.106 -15.525 1.00 30.13 N ATOM 446 HE22 GLN A 51 20.779 27.099 -15.763 1.00 0.00 H ATOM 447 HE21 GLN A 51 21.823 28.510 -15.358 1.00 0.00 H ATOM 448 H GLN A 51 16.634 27.365 -12.181 1.00 0.00 H ATOM 449 N ALA A 52 15.261 29.723 -14.045 1.00 20.93 N ATOM 450 CA ALA A 52 14.304 30.687 -14.595 1.00 22.48 C ATOM 451 C ALA A 52 14.396 32.021 -13.874 1.00 23.40 C ATOM 452 O ALA A 52 14.074 33.061 -14.457 1.00 23.29 O ATOM 453 CB ALA A 52 12.874 30.166 -14.487 1.00 24.94 C ATOM 454 H ALA A 52 14.905 28.852 -13.602 1.00 0.00 H ATOM 455 N LEU A 53 14.831 32.009 -12.616 1.00 19.51 N ATOM 456 CA LEU A 53 14.991 33.227 -11.824 1.00 20.95 C ATOM 457 C LEU A 53 16.379 33.831 -11.928 1.00 19.09 C ATOM 458 O LEU A 53 16.676 34.778 -11.193 1.00 20.12 O ATOM 459 CB LEU A 53 14.687 32.927 -10.352 1.00 23.85 C ATOM 460 CG LEU A 53 13.238 32.542 -10.019 1.00 29.81 C ATOM 461 CD1 LEU A 53 13.134 32.138 -8.545 1.00 36.93 C ATOM 462 CD2 LEU A 53 12.282 33.656 -10.341 1.00 40.22 C ATOM 463 H LEU A 53 15.067 31.095 -12.179 1.00 0.00 H ATOM 464 N GLY A 54 17.224 33.332 -12.832 1.00 19.01 N ATOM 465 CA GLY A 54 18.581 33.843 -12.972 1.00 19.71 C ATOM 466 C GLY A 54 19.534 33.399 -11.891 1.00 19.60 C ATOM 467 O GLY A 54 20.531 34.093 -11.613 1.00 22.38 O ATOM 468 H GLY A 54 16.906 32.560 -13.452 1.00 0.00 H ATOM 469 N LEU A 55 19.268 32.241 -11.276 1.00 19.86 N ATOM 470 CA LEU A 55 20.078 31.713 -10.185 1.00 19.97 C ATOM 471 C LEU A 55 20.788 30.449 -10.671 1.00 26.11 C ATOM 472 O LEU A 55 20.268 29.339 -10.568 1.00 32.96 O ATOM 473 CB LEU A 55 19.195 31.458 -8.962 1.00 19.95 C ATOM 474 CG LEU A 55 18.527 32.712 -8.382 1.00 22.84 C ATOM 475 CD1 LEU A 55 17.388 32.376 -7.454 1.00 25.42 C ATOM 476 CD2 LEU A 55 19.593 33.518 -7.651 1.00 25.79 C ATOM 477 H LEU A 55 18.444 31.691 -11.591 1.00 0.00 H ATOM 478 N GLY A 56 21.941 30.636 -11.232 1.00 28.97 N ATOM 479 CA GLY A 56 22.671 29.532 -11.798 1.00 29.45 C ATOM 480 C GLY A 56 23.603 28.866 -10.810 1.00 23.27 C ATOM 481 O GLY A 56 24.013 29.433 -9.787 1.00 24.42 O ATOM 482 H GLY A 56 22.343 31.594 -11.274 1.00 0.00 H ATOM 483 N SER A 57 23.981 27.644 -11.180 1.00 23.99 N ATOM 484 CA SER A 57 24.835 26.810 -10.338 1.00 24.29 C ATOM 485 C SER A 57 26.163 27.490 -10.004 1.00 22.55 C ATOM 486 O SER A 57 26.580 27.520 -8.841 1.00 23.91 O ATOM 487 CB SER A 57 25.082 25.470 -11.038 1.00 27.37 C ATOM 488 OG SER A 57 26.052 24.730 -10.323 1.00 42.42 O ATOM 489 HG SER A 57 26.208 23.865 -10.779 1.00 0.00 H ATOM 490 H SER A 57 23.658 27.272 -12.096 1.00 0.00 H ATOM 491 N GLU A 58 26.855 28.024 -11.009 1.00 25.19 N ATOM 492 CA GLU A 58 28.181 28.593 -10.757 1.00 29.06 C ATOM 493 C GLU A 58 28.097 29.831 -9.873 1.00 25.89 C ATOM 494 O GLU A 58 28.946 30.025 -8.996 1.00 26.35 O ATOM 495 CB GLU A 58 28.881 28.937 -12.075 1.00 42.26 C ATOM 496 CG GLU A 58 29.156 27.746 -12.984 1.00 47.77 C ATOM 497 CD GLU A 58 29.932 26.644 -12.287 1.00 67.43 C ATOM 498 OE1 GLU A 58 29.483 25.475 -12.328 1.00 72.19 O ATOM 499 OE2 GLU A 58 30.987 26.946 -11.692 1.00 65.81 O ATOM 500 H GLU A 58 26.455 28.037 -11.969 1.00 0.00 H ATOM 501 N LYS A 59 27.091 30.677 -10.096 1.00 24.20 N ATOM 502 CA LYS A 59 26.867 31.839 -9.242 1.00 31.22 C ATOM 503 C LYS A 59 26.634 31.445 -7.795 1.00 25.78 C ATOM 504 O LYS A 59 27.192 32.055 -6.878 1.00 26.39 O ATOM 505 CB LYS A 59 25.665 32.621 -9.745 1.00 38.79 C ATOM 506 CG LYS A 59 25.451 33.936 -9.016 1.00 41.65 C ATOM 507 CD LYS A 59 26.455 34.967 -9.447 1.00 50.08 C ATOM 508 CE LYS A 59 26.169 35.406 -10.871 1.00 52.64 C ATOM 509 NZ LYS A 59 27.081 36.471 -11.307 1.00 45.14 N ATOM 510 HZ1 LYS A 59 26.973 37.296 -10.683 1.00 0.00 H ATOM 511 HZ2 LYS A 59 28.061 36.126 -11.262 1.00 0.00 H ATOM 512 HZ3 LYS A 59 26.853 36.743 -12.285 1.00 0.00 H ATOM 513 H LYS A 59 26.451 30.505 -10.897 1.00 0.00 H ATOM 514 N ILE A 60 25.755 30.469 -7.564 1.00 23.21 N ATOM 515 CA ILE A 60 25.467 30.075 -6.192 1.00 18.77 C ATOM 516 C ILE A 60 26.709 29.475 -5.552 1.00 19.57 C ATOM 517 O ILE A 60 26.988 29.719 -4.379 1.00 20.54 O ATOM 518 CB ILE A 60 24.264 29.119 -6.154 1.00 21.02 C ATOM 519 CG1 ILE A 60 22.993 29.907 -6.550 1.00 27.80 C ATOM 520 CG2 ILE A 60 24.131 28.509 -4.774 1.00 24.08 C ATOM 521 CD1 ILE A 60 21.706 29.110 -6.653 1.00 31.00 C ATOM 522 H ILE A 60 25.279 29.993 -8.357 1.00 0.00 H ATOM 523 N GLN A 61 27.475 28.671 -6.305 1.00 19.45 N ATOM 524 CA GLN A 61 28.715 28.113 -5.771 1.00 22.14 C ATOM 525 C GLN A 61 29.655 29.220 -5.316 1.00 21.75 C ATOM 526 O GLN A 61 30.175 29.185 -4.197 1.00 23.51 O ATOM 527 CB GLN A 61 29.410 27.234 -6.820 1.00 26.52 C ATOM 528 CG GLN A 61 28.712 25.958 -7.182 1.00 33.28 C ATOM 529 CD GLN A 61 29.470 25.202 -8.261 1.00 32.67 C ATOM 530 OE1 GLN A 61 30.660 24.904 -8.104 1.00 34.43 O ATOM 531 NE2 GLN A 61 28.798 24.920 -9.373 1.00 30.34 N ATOM 532 HE22 GLN A 61 27.798 25.191 -9.459 1.00 0.00 H ATOM 533 HE21 GLN A 61 29.273 24.429 -10.157 1.00 0.00 H ATOM 534 H GLN A 61 27.184 28.443 -7.277 1.00 0.00 H ATOM 535 N LYS A 62 29.863 30.223 -6.170 1.00 22.62 N ATOM 536 CA LYS A 62 30.744 31.338 -5.831 1.00 24.68 C ATOM 537 C LYS A 62 30.270 32.078 -4.591 1.00 22.61 C ATOM 538 O LYS A 62 31.088 32.468 -3.749 1.00 24.23 O ATOM 539 CB LYS A 62 30.831 32.292 -7.016 1.00 29.73 C ATOM 540 CG LYS A 62 31.577 31.711 -8.223 1.00 37.63 C ATOM 541 CD LYS A 62 31.429 32.627 -9.442 1.00 48.64 C ATOM 542 CE LYS A 62 31.984 31.982 -10.696 1.00 53.09 C ATOM 543 NZ LYS A 62 31.984 32.916 -11.848 1.00 60.26 N ATOM 544 HZ1 LYS A 62 31.010 33.223 -12.044 1.00 0.00 H ATOM 545 HZ2 LYS A 62 32.571 33.744 -11.621 1.00 0.00 H ATOM 546 HZ3 LYS A 62 32.371 32.434 -12.684 1.00 0.00 H ATOM 547 H LYS A 62 29.389 30.211 -7.095 1.00 0.00 H ATOM 548 N GLU A 63 28.959 32.319 -4.475 1.00 21.15 N ATOM 549 CA GLU A 63 28.438 33.034 -3.316 1.00 22.10 C ATOM 550 C GLU A 63 28.654 32.270 -2.030 1.00 26.47 C ATOM 551 O GLU A 63 29.037 32.854 -1.019 1.00 22.00 O ATOM 552 CB GLU A 63 26.956 33.344 -3.489 1.00 24.08 C ATOM 553 CG GLU A 63 26.697 34.361 -4.507 1.00 26.24 C ATOM 554 CD GLU A 63 27.024 35.769 -3.996 1.00 32.29 C ATOM 555 OE1 GLU A 63 27.072 36.688 -4.823 1.00 34.04 O ATOM 556 OE2 GLU A 63 27.222 35.954 -2.772 1.00 33.74 O ATOM 557 H GLU A 63 28.307 31.994 -5.217 1.00 0.00 H ATOM 558 N VAL A 64 28.338 30.967 -2.016 1.00 23.90 N ATOM 559 CA VAL A 64 28.523 30.202 -0.793 1.00 24.54 C ATOM 560 C VAL A 64 29.989 30.224 -0.385 1.00 24.42 C ATOM 561 O VAL A 64 30.333 30.416 0.789 1.00 27.16 O ATOM 562 CB VAL A 64 28.010 28.759 -0.985 1.00 23.34 C ATOM 563 CG1 VAL A 64 28.358 27.895 0.210 1.00 25.85 C ATOM 564 CG2 VAL A 64 26.531 28.764 -1.226 1.00 23.52 C ATOM 565 H VAL A 64 27.964 30.508 -2.871 1.00 0.00 H ATOM 566 N GLU A 65 30.879 29.988 -1.338 1.00 24.69 N ATOM 567 CA GLU A 65 32.288 29.915 -0.961 1.00 30.71 C ATOM 568 C GLU A 65 32.793 31.276 -0.492 1.00 28.99 C ATOM 569 O GLU A 65 33.579 31.358 0.454 1.00 38.68 O ATOM 570 CB GLU A 65 33.101 29.356 -2.119 1.00 31.55 C ATOM 571 CG GLU A 65 32.688 27.921 -2.431 1.00 37.75 C ATOM 572 CD GLU A 65 33.539 27.275 -3.490 1.00 48.89 C ATOM 573 OE1 GLU A 65 33.079 26.265 -4.079 1.00 46.83 O ATOM 574 OE2 GLU A 65 34.660 27.772 -3.728 1.00 59.75 O ATOM 575 H GLU A 65 30.582 29.858 -2.326 1.00 0.00 H ATOM 576 N SER A 66 32.288 32.357 -1.082 1.00 26.10 N ATOM 577 CA SER A 66 32.683 33.698 -0.654 1.00 28.60 C ATOM 578 C SER A 66 32.144 34.029 0.737 1.00 30.01 C ATOM 579 O SER A 66 32.860 34.595 1.575 1.00 29.15 O ATOM 580 CB SER A 66 32.199 34.719 -1.680 1.00 32.56 C ATOM 581 OG SER A 66 32.529 36.036 -1.285 1.00 38.58 O ATOM 582 HG SER A 66 32.204 36.675 -1.967 1.00 0.00 H ATOM 583 H SER A 66 31.604 32.246 -1.857 1.00 0.00 H ATOM 584 N LEU A 67 30.876 33.710 1.000 1.00 23.57 N ATOM 585 CA LEU A 67 30.289 34.078 2.284 1.00 22.23 C ATOM 586 C LEU A 67 30.796 33.214 3.427 1.00 27.22 C ATOM 587 O LEU A 67 30.937 33.693 4.558 1.00 26.35 O ATOM 588 CB LEU A 67 28.773 33.998 2.218 1.00 23.36 C ATOM 589 CG LEU A 67 28.066 35.073 1.414 1.00 26.76 C ATOM 590 CD1 LEU A 67 26.587 34.822 1.513 1.00 26.07 C ATOM 591 CD2 LEU A 67 28.428 36.497 1.883 1.00 26.06 C ATOM 592 H LEU A 67 30.308 33.201 0.293 1.00 0.00 H ATOM 593 N ILE A 68 31.028 31.935 3.182 1.00 23.75 N ATOM 594 CA ILE A 68 31.411 31.009 4.231 1.00 24.51 C ATOM 595 C ILE A 68 32.892 30.674 4.168 1.00 27.12 C ATOM 596 O ILE A 68 33.544 30.559 5.208 1.00 35.62 O ATOM 597 CB ILE A 68 30.563 29.719 4.159 1.00 27.08 C ATOM 598 CG1 ILE A 68 29.074 30.052 4.215 1.00 32.00 C ATOM 599 CG2 ILE A 68 30.944 28.777 5.280 1.00 30.86 C ATOM 600 CD1 ILE A 68 28.663 30.891 5.401 1.00 34.62 C ATOM 601 H ILE A 68 30.933 31.583 2.208 1.00 0.00 H ATOM 602 N GLY A 69 33.431 30.502 2.967 1.00 26.79 N ATOM 603 CA GLY A 69 34.792 30.025 2.787 1.00 28.43 C ATOM 604 C GLY A 69 34.847 28.511 2.804 1.00 31.99 C ATOM 605 O GLY A 69 33.888 27.829 3.152 1.00 33.30 O ATOM 606 H GLY A 69 32.859 30.716 2.125 1.00 0.00 H ATOM 607 N ARG A 70 35.992 27.967 2.402 1.00 31.74 N ATOM 608 CA ARG A 70 36.190 26.524 2.465 1.00 39.59 C ATOM 609 C ARG A 70 37.002 26.152 3.696 1.00 44.08 C ATOM 610 O ARG A 70 37.817 26.933 4.195 1.00 41.96 O ATOM 611 CB ARG A 70 36.892 26.003 1.211 1.00 39.16 C ATOM 612 CG ARG A 70 36.082 26.162 -0.051 1.00 41.75 C ATOM 613 CD ARG A 70 36.916 25.841 -1.275 1.00 49.80 C ATOM 614 NE ARG A 70 37.128 24.404 -1.436 1.00 58.53 N ATOM 615 CZ ARG A 70 36.858 23.716 -2.544 1.00 51.82 C ATOM 616 NH1 ARG A 70 36.379 24.321 -3.625 1.00 58.80 N ATOM 617 NH2 ARG A 70 37.082 22.413 -2.575 1.00 53.08 N ATOM 618 HE ARG A 70 37.518 23.881 -0.626 1.00 0.00 H ATOM 619 HH12 ARG A 70 36.174 23.769 -4.482 1.00 0.00 H ATOM 620 HH11 ARG A 70 36.209 25.347 -3.614 1.00 0.00 H ATOM 621 HH22 ARG A 70 36.873 21.870 -3.437 1.00 0.00 H ATOM 622 HH21 ARG A 70 37.467 21.931 -1.737 1.00 0.00 H ATOM 623 H ARG A 70 36.753 28.576 2.039 1.00 0.00 H ATOM 624 N GLY A 71 36.783 24.928 4.169 1.00 34.65 N ATOM 625 CA GLY A 71 37.476 24.392 5.321 1.00 45.01 C ATOM 626 C GLY A 71 38.906 23.959 5.086 1.00 63.76 C ATOM 627 O GLY A 71 39.578 23.559 6.041 1.00 80.04 O ATOM 628 H GLY A 71 36.082 24.329 3.689 1.00 0.00 H ATOM 629 N GLN A 72 39.396 24.009 3.845 1.00 60.45 N ATOM 630 CA GLN A 72 40.783 23.651 3.523 1.00 81.91 C ATOM 631 C GLN A 72 41.153 22.269 4.055 1.00 83.85 C ATOM 632 O GLN A 72 42.331 21.952 4.233 1.00 93.83 O ATOM 633 CB GLN A 72 41.766 24.695 4.060 1.00 98.78 C ATOM 634 CG GLN A 72 43.140 24.641 3.400 1.00110.28 C ATOM 635 CD GLN A 72 44.124 25.624 4.003 1.00123.47 C ATOM 636 OE1 GLN A 72 43.734 26.616 4.619 1.00119.93 O ATOM 637 NE2 GLN A 72 45.413 25.348 3.830 1.00114.30 N ATOM 638 HE22 GLN A 72 45.696 24.498 3.302 1.00 0.00 H ATOM 639 HE21 GLN A 72 46.138 25.982 4.222 1.00 0.00 H ATOM 640 H GLN A 72 38.769 24.314 3.074 1.00 0.00 H ATOM 641 N GLU A 73 40.149 21.443 4.312 1.00 85.45 N ATOM 642 CA GLU A 73 40.337 20.105 4.845 1.00 77.37 C ATOM 643 C GLU A 73 38.959 19.474 4.881 1.00 63.99 C ATOM 644 O GLU A 73 38.116 19.878 5.689 1.00 62.48 O ATOM 645 CB GLU A 73 40.967 20.129 6.242 1.00 87.05 C ATOM 646 CG GLU A 73 41.305 18.750 6.820 1.00 87.21 C ATOM 647 CD GLU A 73 42.728 18.303 6.509 1.00106.92 C ATOM 648 OE1 GLU A 73 43.105 18.266 5.318 1.00102.34 O ATOM 649 OE2 GLU A 73 43.473 17.995 7.464 1.00107.82 O ATOM 650 H GLU A 73 39.180 21.769 4.123 1.00 0.00 H ATOM 651 N MET A 74 38.707 18.525 3.986 1.00 62.16 N ATOM 652 CA MET A 74 37.413 17.867 3.953 1.00 63.42 C ATOM 653 C MET A 74 36.998 17.475 5.362 1.00 64.15 C ATOM 654 O MET A 74 37.787 16.917 6.127 1.00 65.48 O ATOM 655 CB MET A 74 37.468 16.641 3.047 1.00 64.36 C ATOM 656 CG MET A 74 37.524 16.990 1.561 1.00 68.34 C ATOM 657 SD MET A 74 37.074 15.627 0.462 1.00 71.79 S ATOM 658 CE MET A 74 35.482 15.187 1.119 1.00 40.42 C ATOM 659 H MET A 74 39.442 18.251 3.304 1.00 0.00 H ATOM 660 N SER A 75 35.759 17.793 5.706 1.00 46.37 N ATOM 661 CA SER A 75 35.309 17.624 7.072 1.00 48.18 C ATOM 662 C SER A 75 35.221 16.142 7.417 1.00 63.15 C ATOM 663 O SER A 75 35.115 15.277 6.543 1.00 74.90 O ATOM 664 CB SER A 75 33.964 18.312 7.249 1.00 46.86 C ATOM 665 OG SER A 75 33.194 18.130 6.074 1.00 42.81 O ATOM 666 HG SER A 75 32.317 18.576 6.183 1.00 0.00 H ATOM 667 H SER A 75 35.104 18.167 4.990 1.00 0.00 H ATOM 668 N GLN A 76 35.289 15.854 8.715 1.00 67.84 N ATOM 669 CA GLN A 76 35.248 14.475 9.188 1.00 67.64 C ATOM 670 C GLN A 76 33.828 14.013 9.486 1.00 67.91 C ATOM 671 O GLN A 76 33.495 12.847 9.246 1.00 64.47 O ATOM 672 CB GLN A 76 36.123 14.323 10.435 1.00 75.05 C ATOM 673 CG GLN A 76 37.492 15.012 10.342 1.00 74.09 C ATOM 674 CD GLN A 76 38.270 14.640 9.090 1.00 70.75 C ATOM 675 OE1 GLN A 76 38.847 15.502 8.426 1.00 71.80 O ATOM 676 NE2 GLN A 76 38.300 13.353 8.769 1.00 67.32 N ATOM 677 HE22 GLN A 76 37.798 12.658 9.358 1.00 0.00 H ATOM 678 HE21 GLN A 76 38.825 13.039 7.928 1.00 0.00 H ATOM 679 H GLN A 76 35.373 16.627 9.405 1.00 0.00 H ATOM 680 N THR A 77 32.983 14.905 9.995 1.00 44.36 N ATOM 681 CA THR A 77 31.612 14.555 10.314 1.00 50.00 C ATOM 682 C THR A 77 30.710 15.686 9.851 1.00 37.92 C ATOM 683 O THR A 77 31.129 16.846 9.778 1.00 39.55 O ATOM 684 CB THR A 77 31.425 14.298 11.812 1.00 62.69 C ATOM 685 OG1 THR A 77 31.696 15.500 12.543 1.00 79.25 O ATOM 686 CG2 THR A 77 32.363 13.184 12.287 1.00 57.45 C ATOM 687 HG1 THR A 77 31.072 16.211 12.250 1.00 0.00 H ATOM 688 H THR A 77 33.313 15.876 10.168 1.00 0.00 H ATOM 689 N ILE A 78 29.479 15.335 9.506 1.00 34.09 N ATOM 690 CA ILE A 78 28.511 16.298 8.988 1.00 27.77 C ATOM 691 C ILE A 78 27.146 16.007 9.590 1.00 35.56 C ATOM 692 O ILE A 78 26.675 14.864 9.561 1.00 37.74 O ATOM 693 CB ILE A 78 28.430 16.256 7.451 1.00 26.25 C ATOM 694 CG1 ILE A 78 28.366 14.807 6.974 1.00 26.64 C ATOM 695 CG2 ILE A 78 29.630 16.968 6.831 1.00 32.10 C ATOM 696 CD1 ILE A 78 28.002 14.669 5.500 1.00 32.43 C ATOM 697 H ILE A 78 29.193 14.340 9.608 1.00 0.00 H ATOM 698 N HIS A 79 26.495 17.045 10.106 1.00 26.14 N ATOM 699 CA HIS A 79 25.146 16.930 10.642 1.00 24.83 C ATOM 700 C HIS A 79 24.338 18.135 10.174 1.00 18.54 C ATOM 701 O HIS A 79 24.898 19.213 9.987 1.00 23.16 O ATOM 702 CB HIS A 79 25.170 16.855 12.162 1.00 29.97 C ATOM 703 CG HIS A 79 25.897 15.650 12.667 1.00 41.76 C ATOM 704 ND1 HIS A 79 25.301 14.409 12.745 1.00 40.88 N ATOM 705 CD2 HIS A 79 27.180 15.479 13.069 1.00 38.76 C ATOM 706 CE1 HIS A 79 26.181 13.529 13.191 1.00 43.73 C ATOM 707 NE2 HIS A 79 27.329 14.153 13.393 1.00 41.32 N ATOM 708 H HIS A 79 26.966 17.972 10.128 1.00 0.00 H ATOM 709 N TYR A 80 23.044 17.925 9.939 1.00 22.21 N ATOM 710 CA TYR A 80 22.181 19.024 9.508 1.00 20.61 C ATOM 711 C TYR A 80 22.046 20.063 10.621 1.00 23.54 C ATOM 712 O TYR A 80 21.967 19.726 11.809 1.00 23.54 O ATOM 713 CB TYR A 80 20.787 18.522 9.125 1.00 22.16 C ATOM 714 CG TYR A 80 20.693 17.753 7.817 1.00 25.41 C ATOM 715 CD1 TYR A 80 20.448 18.391 6.603 1.00 37.66 C ATOM 716 CD2 TYR A 80 20.793 16.368 7.811 1.00 34.80 C ATOM 717 CE1 TYR A 80 20.342 17.641 5.400 1.00 30.04 C ATOM 718 CE2 TYR A 80 20.679 15.638 6.646 1.00 42.54 C ATOM 719 CZ TYR A 80 20.454 16.276 5.445 1.00 38.23 C ATOM 720 OH TYR A 80 20.342 15.532 4.282 1.00 49.26 O ATOM 721 HH TYR A 80 20.183 16.140 3.517 1.00 0.00 H ATOM 722 H TYR A 80 22.645 16.973 10.063 1.00 0.00 H ATOM 723 N THR A 81 21.991 21.327 10.232 1.00 18.57 N ATOM 724 CA THR A 81 21.745 22.377 11.200 1.00 18.47 C ATOM 725 C THR A 81 20.272 22.389 11.579 1.00 19.11 C ATOM 726 O THR A 81 19.428 21.828 10.868 1.00 19.33 O ATOM 727 CB THR A 81 22.113 23.742 10.625 1.00 18.07 C ATOM 728 OG1 THR A 81 21.241 23.982 9.523 1.00 17.26 O ATOM 729 CG2 THR A 81 23.574 23.773 10.128 1.00 19.64 C ATOM 730 HG1 THR A 81 21.451 24.863 9.123 1.00 0.00 H ATOM 731 H THR A 81 22.125 21.567 9.229 1.00 0.00 H ATOM 732 N PRO A 82 19.923 23.040 12.690 1.00 19.90 N ATOM 733 CA PRO A 82 18.496 23.176 13.014 1.00 19.59 C ATOM 734 C PRO A 82 17.693 23.843 11.916 1.00 19.09 C ATOM 735 O PRO A 82 16.559 23.421 11.646 1.00 22.00 O ATOM 736 CB PRO A 82 18.504 24.018 14.301 1.00 22.10 C ATOM 737 CG PRO A 82 19.814 23.753 14.893 1.00 24.98 C ATOM 738 CD PRO A 82 20.779 23.513 13.788 1.00 21.86 C ATOM 739 N ARG A 83 18.232 24.870 11.272 1.00 19.06 N ATOM 740 CA ARG A 83 17.485 25.525 10.203 1.00 18.87 C ATOM 741 C ARG A 83 17.329 24.605 9.006 1.00 18.77 C ATOM 742 O ARG A 83 16.287 24.603 8.354 1.00 19.93 O ATOM 743 CB ARG A 83 18.170 26.826 9.769 1.00 21.84 C ATOM 744 CG ARG A 83 17.686 28.082 10.439 1.00 25.99 C ATOM 745 CD ARG A 83 18.267 29.339 9.758 1.00 23.24 C ATOM 746 NE ARG A 83 19.706 29.453 9.968 1.00 25.36 N ATOM 747 CZ ARG A 83 20.289 30.143 10.953 1.00 22.79 C ATOM 748 NH1 ARG A 83 21.617 30.159 11.052 1.00 25.61 N ATOM 749 NH2 ARG A 83 19.558 30.803 11.843 1.00 24.99 N ATOM 750 HE ARG A 83 20.328 28.958 9.298 1.00 0.00 H ATOM 751 HH12 ARG A 83 22.075 30.695 11.817 1.00 0.00 H ATOM 752 HH11 ARG A 83 22.196 29.636 10.364 1.00 0.00 H ATOM 753 HH22 ARG A 83 20.023 31.336 12.605 1.00 0.00 H ATOM 754 HH21 ARG A 83 18.520 30.787 11.778 1.00 0.00 H ATOM 755 H ARG A 83 19.182 25.207 11.528 1.00 0.00 H ATOM 756 N ALA A 84 18.359 23.820 8.692 1.00 18.19 N ATOM 757 CA ALA A 84 18.232 22.920 7.555 1.00 16.63 C ATOM 758 C ALA A 84 17.185 21.853 7.836 1.00 17.87 C ATOM 759 O ALA A 84 16.416 21.477 6.943 1.00 18.61 O ATOM 760 CB ALA A 84 19.577 22.283 7.217 1.00 19.32 C ATOM 761 H ALA A 84 19.237 23.850 9.249 1.00 0.00 H ATOM 762 N LYS A 85 17.164 21.331 9.064 1.00 18.53 N ATOM 763 CA LYS A 85 16.126 20.395 9.467 1.00 19.28 C ATOM 764 C LYS A 85 14.753 21.026 9.337 1.00 18.73 C ATOM 765 O LYS A 85 13.815 20.368 8.857 1.00 21.33 O ATOM 766 CB LYS A 85 16.376 19.917 10.897 1.00 20.61 C ATOM 767 CG LYS A 85 17.633 19.060 11.053 1.00 28.55 C ATOM 768 CD LYS A 85 17.825 18.580 12.502 1.00 42.46 C ATOM 769 CE LYS A 85 19.122 17.780 12.698 1.00 42.53 C ATOM 770 NZ LYS A 85 19.053 16.406 12.113 1.00 59.15 N ATOM 771 HZ1 LYS A 85 18.282 15.876 12.567 1.00 0.00 H ATOM 772 HZ2 LYS A 85 18.874 16.474 11.091 1.00 0.00 H ATOM 773 HZ3 LYS A 85 19.955 15.915 12.276 1.00 0.00 H ATOM 774 H LYS A 85 17.903 21.598 9.745 1.00 0.00 H ATOM 775 N LYS A 86 14.610 22.290 9.765 1.00 17.26 N ATOM 776 CA LYS A 86 13.331 22.995 9.632 1.00 20.14 C ATOM 777 C LYS A 86 12.937 23.159 8.168 1.00 23.45 C ATOM 778 O LYS A 86 11.760 23.007 7.823 1.00 20.18 O ATOM 779 CB LYS A 86 13.370 24.346 10.347 1.00 21.93 C ATOM 780 CG LYS A 86 12.008 25.077 10.342 1.00 23.68 C ATOM 781 CD LYS A 86 10.969 24.361 11.190 1.00 25.70 C ATOM 782 CE LYS A 86 9.610 25.067 11.120 1.00 41.05 C ATOM 783 NZ LYS A 86 8.583 24.426 11.990 1.00 37.35 N ATOM 784 HZ1 LYS A 86 8.446 23.439 11.692 1.00 0.00 H ATOM 785 HZ2 LYS A 86 8.904 24.450 12.979 1.00 0.00 H ATOM 786 HZ3 LYS A 86 7.685 24.944 11.903 1.00 0.00 H ATOM 787 H LYS A 86 15.420 22.778 10.198 1.00 0.00 H ATOM 788 N VAL A 87 13.905 23.420 7.279 1.00 19.05 N ATOM 789 CA VAL A 87 13.590 23.526 5.852 1.00 18.31 C ATOM 790 C VAL A 87 13.000 22.217 5.329 1.00 18.25 C ATOM 791 O VAL A 87 12.028 22.217 4.561 1.00 18.70 O ATOM 792 CB VAL A 87 14.841 23.939 5.056 1.00 18.24 C ATOM 793 CG1 VAL A 87 14.671 23.694 3.570 1.00 17.62 C ATOM 794 CG2 VAL A 87 15.160 25.429 5.330 1.00 21.52 C ATOM 795 H VAL A 87 14.885 23.548 7.604 1.00 0.00 H ATOM 796 N ILE A 88 13.597 21.084 5.708 1.00 17.97 N ATOM 797 CA ILE A 88 13.079 19.806 5.227 1.00 18.90 C ATOM 798 C ILE A 88 11.697 19.531 5.803 1.00 19.97 C ATOM 799 O ILE A 88 10.821 19.013 5.102 1.00 21.12 O ATOM 800 CB ILE A 88 14.079 18.680 5.533 1.00 20.73 C ATOM 801 CG1 ILE A 88 15.400 18.972 4.841 1.00 19.87 C ATOM 802 CG2 ILE A 88 13.536 17.348 5.091 1.00 23.27 C ATOM 803 CD1 ILE A 88 15.328 19.167 3.347 1.00 31.03 C ATOM 804 H ILE A 88 14.423 21.112 6.340 1.00 0.00 H ATOM 805 N GLU A 89 11.469 19.873 7.072 1.00 18.52 N ATOM 806 CA GLU A 89 10.128 19.707 7.617 1.00 20.88 C ATOM 807 C GLU A 89 9.134 20.628 6.920 1.00 23.09 C ATOM 808 O GLU A 89 7.992 20.221 6.643 1.00 22.79 O ATOM 809 CB GLU A 89 10.173 19.930 9.124 1.00 23.04 C ATOM 810 CG GLU A 89 10.973 18.831 9.802 1.00 19.51 C ATOM 811 CD GLU A 89 11.428 19.185 11.204 1.00 28.73 C ATOM 812 OE1 GLU A 89 11.228 20.334 11.625 1.00 30.52 O ATOM 813 OE2 GLU A 89 11.980 18.296 11.889 1.00 38.98 O ATOM 814 H GLU A 89 12.236 20.252 7.663 1.00 0.00 H ATOM 815 N LEU A 90 9.542 21.854 6.610 1.00 18.86 N ATOM 816 CA LEU A 90 8.667 22.759 5.881 1.00 19.16 C ATOM 817 C LEU A 90 8.382 22.226 4.489 1.00 19.94 C ATOM 818 O LEU A 90 7.299 22.477 3.945 1.00 22.29 O ATOM 819 CB LEU A 90 9.289 24.148 5.786 1.00 20.43 C ATOM 820 CG LEU A 90 9.285 25.001 7.064 1.00 20.09 C ATOM 821 CD1 LEU A 90 10.157 26.228 6.913 1.00 22.64 C ATOM 822 CD2 LEU A 90 7.877 25.397 7.477 1.00 24.37 C ATOM 823 H LEU A 90 10.493 22.169 6.890 1.00 0.00 H ATOM 824 N SER A 91 9.342 21.532 3.878 1.00 18.26 N ATOM 825 CA SER A 91 9.118 21.007 2.538 1.00 17.98 C ATOM 826 C SER A 91 7.984 19.994 2.536 1.00 21.92 C ATOM 827 O SER A 91 7.243 19.904 1.557 1.00 20.38 O ATOM 828 CB SER A 91 10.401 20.403 1.953 1.00 19.87 C ATOM 829 OG SER A 91 10.701 19.099 2.452 1.00 20.79 O ATOM 830 HG SER A 91 10.816 19.141 3.434 1.00 0.00 H ATOM 831 H SER A 91 10.250 21.366 4.357 1.00 0.00 H ATOM 832 N MET A 92 7.859 19.210 3.603 1.00 20.10 N ATOM 833 CA MET A 92 6.751 18.276 3.702 1.00 20.37 C ATOM 834 C MET A 92 5.425 19.023 3.810 1.00 20.68 C ATOM 835 O MET A 92 4.426 18.620 3.192 1.00 23.17 O ATOM 836 CB MET A 92 6.977 17.352 4.892 1.00 25.49 C ATOM 837 CG MET A 92 8.285 16.597 4.781 1.00 25.55 C ATOM 838 SD MET A 92 8.500 15.379 6.090 1.00 41.46 S ATOM 839 CE MET A 92 8.241 16.309 7.581 1.00 38.25 C ATOM 840 H MET A 92 8.558 19.266 4.371 1.00 0.00 H ATOM 841 N ASP A 93 5.395 20.114 4.594 1.00 20.25 N ATOM 842 CA ASP A 93 4.203 20.951 4.710 1.00 21.95 C ATOM 843 C ASP A 93 3.871 21.605 3.379 1.00 23.70 C ATOM 844 O ASP A 93 2.707 21.657 2.975 1.00 23.00 O ATOM 845 CB ASP A 93 4.413 22.001 5.791 1.00 23.06 C ATOM 846 CG ASP A 93 3.126 22.678 6.222 1.00 31.17 C ATOM 847 OD1 ASP A 93 2.135 21.978 6.550 1.00 31.72 O ATOM 848 OD2 ASP A 93 3.103 23.922 6.219 1.00 31.02 O ATOM 849 H ASP A 93 6.246 20.370 5.134 1.00 0.00 H ATOM 850 N GLU A 94 4.886 22.101 2.674 1.00 20.12 N ATOM 851 CA GLU A 94 4.657 22.712 1.366 1.00 21.36 C ATOM 852 C GLU A 94 4.067 21.718 0.367 1.00 20.63 C ATOM 853 O GLU A 94 3.175 22.069 -0.414 1.00 21.07 O ATOM 854 CB GLU A 94 5.966 23.311 0.846 1.00 19.30 C ATOM 855 CG GLU A 94 6.365 24.562 1.592 1.00 18.83 C ATOM 856 CD GLU A 94 5.396 25.706 1.424 1.00 22.06 C ATOM 857 OE1 GLU A 94 5.172 26.110 0.275 1.00 23.89 O ATOM 858 OE2 GLU A 94 4.858 26.196 2.448 1.00 26.74 O ATOM 859 H GLU A 94 5.851 22.053 3.058 1.00 0.00 H ATOM 860 N ALA A 95 4.563 20.486 0.351 1.00 17.37 N ATOM 861 CA ALA A 95 4.030 19.480 -0.557 1.00 17.00 C ATOM 862 C ALA A 95 2.575 19.190 -0.222 1.00 21.65 C ATOM 863 O ALA A 95 1.730 19.146 -1.114 1.00 20.60 O ATOM 864 CB ALA A 95 4.871 18.218 -0.506 1.00 18.46 C ATOM 865 H ALA A 95 5.341 20.237 0.994 1.00 0.00 H ATOM 866 N ARG A 96 2.271 19.039 1.066 1.00 21.25 N ATOM 867 CA ARG A 96 0.897 18.769 1.498 1.00 22.02 C ATOM 868 C ARG A 96 -0.051 19.861 1.028 1.00 27.06 C ATOM 869 O ARG A 96 -1.148 19.571 0.512 1.00 23.79 O ATOM 870 CB ARG A 96 0.848 18.668 3.024 1.00 25.43 C ATOM 871 CG ARG A 96 -0.577 18.484 3.598 1.00 38.42 C ATOM 872 CD ARG A 96 -0.617 18.713 5.099 1.00 50.27 C ATOM 873 NE ARG A 96 -0.345 20.105 5.463 1.00 53.46 N ATOM 874 CZ ARG A 96 -1.234 21.094 5.384 1.00 55.33 C ATOM 875 NH1 ARG A 96 -2.466 20.861 4.947 1.00 55.31 N ATOM 876 NH2 ARG A 96 -0.892 22.326 5.742 1.00 50.16 N ATOM 877 HE ARG A 96 0.608 20.338 5.807 1.00 0.00 H ATOM 878 HH12 ARG A 96 -3.153 21.640 4.889 1.00 0.00 H ATOM 879 HH11 ARG A 96 -2.744 19.900 4.663 1.00 0.00 H ATOM 880 HH22 ARG A 96 -1.587 23.097 5.680 1.00 0.00 H ATOM 881 HH21 ARG A 96 0.071 22.520 6.084 1.00 0.00 H ATOM 882 H ARG A 96 3.024 19.114 1.779 1.00 0.00 H ATOM 883 N LYS A 97 0.338 21.125 1.243 1.00 20.98 N ATOM 884 CA LYS A 97 -0.514 22.277 0.925 1.00 19.37 C ATOM 885 C LYS A 97 -0.801 22.370 -0.563 1.00 22.12 C ATOM 886 O LYS A 97 -1.799 23.006 -0.960 1.00 23.62 O ATOM 887 CB LYS A 97 0.131 23.578 1.420 1.00 24.95 C ATOM 888 CG LYS A 97 0.047 23.796 2.927 1.00 31.72 C ATOM 889 CD LYS A 97 0.873 25.023 3.384 1.00 40.45 C ATOM 890 CE LYS A 97 0.176 26.345 3.051 1.00 42.17 C ATOM 891 NZ LYS A 97 0.915 27.570 3.584 1.00 41.84 N ATOM 892 HZ1 LYS A 97 0.988 27.506 4.620 1.00 0.00 H ATOM 893 HZ2 LYS A 97 1.868 27.606 3.170 1.00 0.00 H ATOM 894 HZ3 LYS A 97 0.391 28.430 3.324 1.00 0.00 H ATOM 895 H LYS A 97 1.279 21.296 1.651 1.00 0.00 H ATOM 896 N LEU A 98 0.039 21.762 -1.386 1.00 20.55 N ATOM 897 CA LEU A 98 -0.102 21.752 -2.832 1.00 21.16 C ATOM 898 C LEU A 98 -0.707 20.447 -3.342 1.00 20.47 C ATOM 899 O LEU A 98 -0.771 20.226 -4.555 1.00 23.27 O ATOM 900 CB LEU A 98 1.262 22.021 -3.483 1.00 20.68 C ATOM 901 CG LEU A 98 1.778 23.445 -3.267 1.00 21.58 C ATOM 902 CD1 LEU A 98 3.238 23.547 -3.635 1.00 26.73 C ATOM 903 CD2 LEU A 98 0.952 24.452 -4.061 1.00 21.52 C ATOM 904 H LEU A 98 0.850 21.260 -0.972 1.00 0.00 H ATOM 905 N GLY A 99 -1.157 19.582 -2.448 1.00 21.09 N ATOM 906 CA GLY A 99 -1.837 18.376 -2.886 1.00 21.43 C ATOM 907 C GLY A 99 -0.926 17.280 -3.390 1.00 24.10 C ATOM 908 O GLY A 99 -1.344 16.432 -4.193 1.00 22.72 O ATOM 909 H GLY A 99 -1.024 19.765 -1.433 1.00 0.00 H ATOM 910 N HIS A 100 0.323 17.264 -2.934 1.00 21.13 N ATOM 911 CA HIS A 100 1.301 16.271 -3.339 1.00 21.88 C ATOM 912 C HIS A 100 1.554 15.317 -2.186 1.00 24.76 C ATOM 913 O HIS A 100 1.756 15.750 -1.043 1.00 29.59 O ATOM 914 CB HIS A 100 2.639 16.899 -3.732 1.00 20.11 C ATOM 915 CG HIS A 100 2.616 17.647 -5.027 1.00 21.57 C ATOM 916 ND1 HIS A 100 3.210 17.171 -6.177 1.00 26.18 N ATOM 917 CD2 HIS A 100 2.079 18.842 -5.351 1.00 21.03 C ATOM 918 CE1 HIS A 100 3.029 18.043 -7.153 1.00 26.29 C ATOM 919 NE2 HIS A 100 2.338 19.060 -6.681 1.00 26.55 N ATOM 920 H HIS A 100 0.613 17.997 -2.256 1.00 0.00 H ATOM 921 N SER A 101 1.557 14.033 -2.505 1.00 22.27 N ATOM 922 CA SER A 101 1.936 12.998 -1.558 1.00 21.60 C ATOM 923 C SER A 101 3.445 12.840 -1.485 1.00 27.97 C ATOM 924 O SER A 101 3.968 12.450 -0.434 1.00 30.91 O ATOM 925 CB SER A 101 1.327 11.661 -1.971 1.00 25.93 C ATOM 926 OG SER A 101 -0.082 11.783 -2.127 1.00 44.58 O ATOM 927 HG SER A 101 -0.460 10.908 -2.395 1.00 0.00 H ATOM 928 H SER A 101 1.278 13.755 -3.467 1.00 0.00 H ATOM 929 N TYR A 102 4.144 13.142 -2.572 1.00 21.23 N ATOM 930 CA TYR A 102 5.598 13.042 -2.625 1.00 21.34 C ATOM 931 C TYR A 102 6.193 14.444 -2.565 1.00 24.94 C ATOM 932 O TYR A 102 5.694 15.365 -3.233 1.00 21.92 O ATOM 933 CB TYR A 102 6.047 12.346 -3.900 1.00 20.46 C ATOM 934 CG TYR A 102 5.867 10.849 -3.892 1.00 26.83 C ATOM 935 CD1 TYR A 102 4.625 10.277 -4.145 1.00 40.04 C ATOM 936 CD2 TYR A 102 6.937 10.021 -3.641 1.00 28.45 C ATOM 937 CE1 TYR A 102 4.459 8.909 -4.143 1.00 41.52 C ATOM 938 CE2 TYR A 102 6.779 8.634 -3.640 1.00 32.36 C ATOM 939 CZ TYR A 102 5.539 8.098 -3.893 1.00 43.66 C ATOM 940 OH TYR A 102 5.365 6.728 -3.891 1.00 51.64 O ATOM 941 HH TYR A 102 4.419 6.516 -4.090 1.00 0.00 H ATOM 942 H TYR A 102 3.634 13.463 -3.420 1.00 0.00 H ATOM 943 N VAL A 103 7.217 14.604 -1.729 1.00 18.91 N ATOM 944 CA VAL A 103 7.976 15.850 -1.627 1.00 19.71 C ATOM 945 C VAL A 103 8.993 15.912 -2.759 1.00 18.51 C ATOM 946 O VAL A 103 9.913 15.085 -2.834 1.00 18.70 O ATOM 947 CB VAL A 103 8.667 15.959 -0.264 1.00 22.55 C ATOM 948 CG1 VAL A 103 9.449 17.254 -0.156 1.00 24.89 C ATOM 949 CG2 VAL A 103 7.671 15.838 0.866 1.00 31.12 C ATOM 950 H VAL A 103 7.490 13.806 -1.120 1.00 0.00 H ATOM 951 N GLY A 104 8.835 16.896 -3.637 1.00 17.56 N ATOM 952 CA GLY A 104 9.743 17.104 -4.741 1.00 17.14 C ATOM 953 C GLY A 104 10.747 18.218 -4.477 1.00 16.07 C ATOM 954 O GLY A 104 10.688 18.924 -3.472 1.00 16.45 O ATOM 955 H GLY A 104 8.027 17.541 -3.525 1.00 0.00 H ATOM 956 N THR A 105 11.692 18.336 -5.409 1.00 16.56 N ATOM 957 CA THR A 105 12.704 19.381 -5.293 1.00 14.30 C ATOM 958 C THR A 105 12.066 20.748 -5.140 1.00 17.58 C ATOM 959 O THR A 105 12.572 21.585 -4.387 1.00 18.20 O ATOM 960 CB THR A 105 13.674 19.388 -6.494 1.00 17.43 C ATOM 961 OG1 THR A 105 12.991 19.724 -7.708 1.00 17.63 O ATOM 962 CG2 THR A 105 14.407 18.074 -6.680 1.00 18.58 C ATOM 963 HG1 THR A 105 13.635 19.721 -8.460 1.00 0.00 H ATOM 964 H THR A 105 11.708 17.684 -6.219 1.00 0.00 H ATOM 965 N GLU A 106 10.935 20.991 -5.816 1.00 18.45 N ATOM 966 CA GLU A 106 10.312 22.315 -5.717 1.00 19.29 C ATOM 967 C GLU A 106 9.773 22.588 -4.318 1.00 16.84 C ATOM 968 O GLU A 106 9.694 23.745 -3.903 1.00 17.78 O ATOM 969 CB GLU A 106 9.203 22.470 -6.746 1.00 19.24 C ATOM 970 CG GLU A 106 7.982 21.600 -6.538 1.00 19.77 C ATOM 971 CD GLU A 106 8.090 20.210 -7.155 1.00 24.76 C ATOM 972 OE1 GLU A 106 9.212 19.666 -7.344 1.00 21.37 O ATOM 973 OE2 GLU A 106 7.013 19.673 -7.492 1.00 24.58 O ATOM 974 H GLU A 106 10.504 20.249 -6.404 1.00 0.00 H ATOM 975 N HIS A 107 9.408 21.541 -3.576 1.00 16.39 N ATOM 976 CA HIS A 107 8.911 21.728 -2.218 1.00 15.71 C ATOM 977 C HIS A 107 10.034 21.986 -1.236 1.00 17.24 C ATOM 978 O HIS A 107 9.850 22.750 -0.278 1.00 17.37 O ATOM 979 CB HIS A 107 8.072 20.525 -1.821 1.00 17.42 C ATOM 980 CG HIS A 107 7.000 20.258 -2.809 1.00 18.84 C ATOM 981 ND1 HIS A 107 6.855 19.051 -3.447 1.00 19.41 N ATOM 982 CD2 HIS A 107 6.042 21.071 -3.311 1.00 19.64 C ATOM 983 CE1 HIS A 107 5.862 19.135 -4.316 1.00 18.90 C ATOM 984 NE2 HIS A 107 5.347 20.349 -4.243 1.00 17.91 N ATOM 985 H HIS A 107 9.479 20.581 -3.970 1.00 0.00 H ATOM 986 N ILE A 108 11.200 21.378 -1.474 1.00 16.65 N ATOM 987 CA ILE A 108 12.394 21.754 -0.726 1.00 16.48 C ATOM 988 C ILE A 108 12.744 23.217 -0.996 1.00 15.46 C ATOM 989 O ILE A 108 13.066 23.974 -0.075 1.00 17.14 O ATOM 990 CB ILE A 108 13.555 20.796 -1.060 1.00 15.61 C ATOM 991 CG1 ILE A 108 13.171 19.382 -0.673 1.00 19.46 C ATOM 992 CG2 ILE A 108 14.840 21.260 -0.360 1.00 18.92 C ATOM 993 CD1 ILE A 108 14.230 18.324 -0.978 1.00 18.18 C ATOM 994 H ILE A 108 11.256 20.632 -2.197 1.00 0.00 H ATOM 995 N LEU A 109 12.704 23.634 -2.266 1.00 17.47 N ATOM 996 CA LEU A 109 12.946 25.044 -2.600 1.00 16.42 C ATOM 997 C LEU A 109 11.928 25.960 -1.916 1.00 16.29 C ATOM 998 O LEU A 109 12.306 26.967 -1.298 1.00 16.62 O ATOM 999 CB LEU A 109 12.903 25.237 -4.120 1.00 16.47 C ATOM 1000 CG LEU A 109 13.011 26.689 -4.607 1.00 18.66 C ATOM 1001 CD1 LEU A 109 14.303 27.315 -4.158 1.00 19.50 C ATOM 1002 CD2 LEU A 109 12.897 26.749 -6.107 1.00 18.77 C ATOM 1003 H LEU A 109 12.499 22.953 -3.025 1.00 0.00 H ATOM 1004 N LEU A 110 10.636 25.616 -1.987 1.00 16.28 N ATOM 1005 CA LEU A 110 9.640 26.445 -1.305 1.00 17.14 C ATOM 1006 C LEU A 110 9.858 26.450 0.204 1.00 19.02 C ATOM 1007 O LEU A 110 9.683 27.479 0.858 1.00 19.96 O ATOM 1008 CB LEU A 110 8.228 25.981 -1.632 1.00 17.66 C ATOM 1009 CG LEU A 110 7.712 26.335 -3.017 1.00 19.21 C ATOM 1010 CD1 LEU A 110 6.417 25.543 -3.256 1.00 20.85 C ATOM 1011 CD2 LEU A 110 7.418 27.819 -3.192 1.00 18.78 C ATOM 1012 H LEU A 110 10.344 24.772 -2.519 1.00 0.00 H ATOM 1013 N GLY A 111 10.249 25.318 0.785 1.00 18.20 N ATOM 1014 CA GLY A 111 10.532 25.320 2.216 1.00 18.35 C ATOM 1015 C GLY A 111 11.692 26.232 2.582 1.00 19.14 C ATOM 1016 O GLY A 111 11.672 26.903 3.620 1.00 18.55 O ATOM 1017 H GLY A 111 10.351 24.446 0.228 1.00 0.00 H ATOM 1018 N LEU A 112 12.722 26.263 1.733 1.00 16.40 N ATOM 1019 CA LEU A 112 13.898 27.090 1.951 1.00 16.85 C ATOM 1020 C LEU A 112 13.536 28.572 1.905 1.00 20.14 C ATOM 1021 O LEU A 112 13.937 29.358 2.773 1.00 21.81 O ATOM 1022 CB LEU A 112 14.941 26.736 0.880 1.00 19.11 C ATOM 1023 CG LEU A 112 16.304 27.397 0.921 1.00 25.23 C ATOM 1024 CD1 LEU A 112 17.153 26.851 2.034 1.00 26.29 C ATOM 1025 CD2 LEU A 112 17.014 27.089 -0.390 1.00 30.23 C ATOM 1026 H LEU A 112 12.681 25.670 0.879 1.00 0.00 H ATOM 1027 N ILE A 113 12.748 28.958 0.897 1.00 18.21 N ATOM 1028 CA ILE A 113 12.285 30.335 0.747 1.00 16.92 C ATOM 1029 C ILE A 113 11.401 30.737 1.916 1.00 19.65 C ATOM 1030 O ILE A 113 11.492 31.867 2.437 1.00 21.15 O ATOM 1031 CB ILE A 113 11.521 30.468 -0.586 1.00 18.13 C ATOM 1032 CG1 ILE A 113 12.492 30.366 -1.754 1.00 20.68 C ATOM 1033 CG2 ILE A 113 10.782 31.831 -0.668 1.00 23.26 C ATOM 1034 CD1 ILE A 113 11.751 30.158 -3.098 1.00 24.90 C ATOM 1035 H ILE A 113 12.453 28.251 0.193 1.00 0.00 H ATOM 1036 N ARG A 114 10.494 29.838 2.300 1.00 17.57 N ATOM 1037 CA ARG A 114 9.543 30.081 3.380 1.00 18.56 C ATOM 1038 C ARG A 114 10.254 30.265 4.713 1.00 22.42 C ATOM 1039 O ARG A 114 9.882 31.148 5.507 1.00 23.53 O ATOM 1040 CB ARG A 114 8.536 28.930 3.451 1.00 20.76 C ATOM 1041 CG ARG A 114 7.528 29.083 4.557 1.00 24.35 C ATOM 1042 CD ARG A 114 6.448 28.068 4.453 1.00 24.33 C ATOM 1043 NE ARG A 114 5.723 28.022 5.701 1.00 23.72 N ATOM 1044 CZ ARG A 114 4.871 27.060 6.012 1.00 28.67 C ATOM 1045 NH1 ARG A 114 4.648 26.066 5.155 1.00 26.42 N ATOM 1046 NH2 ARG A 114 4.264 27.099 7.191 1.00 28.09 N ATOM 1047 HE ARG A 114 5.879 28.785 6.391 1.00 0.00 H ATOM 1048 HH12 ARG A 114 3.978 25.309 5.399 1.00 0.00 H ATOM 1049 HH11 ARG A 114 5.144 26.046 4.241 1.00 0.00 H ATOM 1050 HH22 ARG A 114 3.590 26.352 7.454 1.00 0.00 H ATOM 1051 HH21 ARG A 114 4.462 27.877 7.852 1.00 0.00 H ATOM 1052 H ARG A 114 10.463 28.922 1.808 1.00 0.00 H ATOM 1053 N GLU A 115 11.282 29.451 4.975 1.00 21.25 N ATOM 1054 CA GLU A 115 12.072 29.625 6.186 1.00 21.68 C ATOM 1055 C GLU A 115 12.707 31.002 6.186 1.00 24.99 C ATOM 1056 O GLU A 115 12.620 31.755 7.165 1.00 26.25 O ATOM 1057 CB GLU A 115 13.138 28.531 6.284 1.00 22.92 C ATOM 1058 CG GLU A 115 13.515 28.184 7.715 1.00 33.96 C ATOM 1059 CD GLU A 115 14.467 29.159 8.331 1.00 46.28 C ATOM 1060 OE1 GLU A 115 15.141 29.882 7.567 1.00 49.39 O ATOM 1061 OE2 GLU A 115 14.547 29.197 9.577 1.00 56.81 O ATOM 1062 H GLU A 115 11.519 28.688 4.309 1.00 0.00 H ATOM 1063 N GLY A 116 13.269 31.379 5.048 1.00 22.06 N ATOM 1064 CA GLY A 116 13.617 32.757 4.779 1.00 21.88 C ATOM 1065 C GLY A 116 14.762 33.301 5.588 1.00 23.02 C ATOM 1066 O GLY A 116 14.946 34.522 5.625 1.00 23.74 O ATOM 1067 H GLY A 116 13.467 30.660 4.323 1.00 0.00 H ATOM 1068 N GLU A 117 15.554 32.435 6.212 1.00 21.45 N ATOM 1069 CA GLU A 117 16.639 32.842 7.085 1.00 20.46 C ATOM 1070 C GLU A 117 17.879 32.003 6.775 1.00 22.55 C ATOM 1071 O GLU A 117 17.928 31.216 5.822 1.00 26.96 O ATOM 1072 CB GLU A 117 16.232 32.690 8.553 1.00 28.45 C ATOM 1073 CG GLU A 117 15.198 33.672 8.990 1.00 30.18 C ATOM 1074 CD GLU A 117 14.741 33.428 10.407 1.00 40.66 C ATOM 1075 OE1 GLU A 117 14.697 32.247 10.837 1.00 41.98 O ATOM 1076 OE2 GLU A 117 14.426 34.423 11.086 1.00 43.79 O ATOM 1077 H GLU A 117 15.388 31.418 6.068 1.00 0.00 H ATOM 1078 N GLY A 118 18.890 32.167 7.591 1.00 19.34 N ATOM 1079 CA GLY A 118 20.100 31.409 7.422 1.00 20.35 C ATOM 1080 C GLY A 118 20.966 31.840 6.259 1.00 19.46 C ATOM 1081 O GLY A 118 20.734 32.844 5.565 1.00 19.86 O ATOM 1082 H GLY A 118 18.817 32.853 8.369 1.00 0.00 H ATOM 1083 N VAL A 119 22.027 31.052 6.057 1.00 17.80 N ATOM 1084 CA VAL A 119 23.016 31.400 5.041 1.00 16.06 C ATOM 1085 C VAL A 119 22.374 31.438 3.668 1.00 18.15 C ATOM 1086 O VAL A 119 22.692 32.301 2.852 1.00 18.04 O ATOM 1087 CB VAL A 119 24.209 30.439 5.061 1.00 20.57 C ATOM 1088 CG1 VAL A 119 25.222 30.843 3.977 1.00 19.69 C ATOM 1089 CG2 VAL A 119 24.840 30.418 6.437 1.00 20.59 C ATOM 1090 H VAL A 119 22.148 30.189 6.625 1.00 0.00 H ATOM 1091 N ALA A 120 21.454 30.498 3.371 1.00 19.26 N ATOM 1092 CA ALA A 120 20.859 30.526 2.036 1.00 18.71 C ATOM 1093 C ALA A 120 20.145 31.853 1.768 1.00 16.96 C ATOM 1094 O ALA A 120 20.124 32.326 0.631 1.00 17.93 O ATOM 1095 CB ALA A 120 19.881 29.364 1.850 1.00 17.73 C ATOM 1096 H ALA A 120 21.177 29.778 4.068 1.00 0.00 H ATOM 1097 N ALA A 121 19.482 32.420 2.779 1.00 18.66 N ATOM 1098 CA ALA A 121 18.825 33.714 2.608 1.00 20.90 C ATOM 1099 C ALA A 121 19.818 34.804 2.254 1.00 19.09 C ATOM 1100 O ALA A 121 19.489 35.713 1.491 1.00 18.80 O ATOM 1101 CB ALA A 121 18.063 34.092 3.876 1.00 22.50 C ATOM 1102 H ALA A 121 19.433 31.935 3.698 1.00 0.00 H ATOM 1103 N ARG A 122 21.040 34.738 2.802 1.00 17.41 N ATOM 1104 CA ARG A 122 22.047 35.740 2.458 1.00 16.68 C ATOM 1105 C ARG A 122 22.538 35.563 1.036 1.00 18.59 C ATOM 1106 O ARG A 122 22.748 36.541 0.311 1.00 19.08 O ATOM 1107 CB ARG A 122 23.213 35.678 3.437 1.00 20.78 C ATOM 1108 CG ARG A 122 22.778 36.133 4.822 1.00 24.26 C ATOM 1109 CD ARG A 122 23.940 36.591 5.670 1.00 27.27 C ATOM 1110 NE ARG A 122 24.796 35.506 6.104 1.00 22.70 N ATOM 1111 CZ ARG A 122 26.121 35.472 5.997 1.00 21.35 C ATOM 1112 NH1 ARG A 122 26.824 36.446 5.414 1.00 22.27 N ATOM 1113 NH2 ARG A 122 26.770 34.451 6.505 1.00 21.71 N ATOM 1114 HE ARG A 122 24.334 34.681 6.537 1.00 0.00 H ATOM 1115 HH12 ARG A 122 27.860 36.375 5.354 1.00 0.00 H ATOM 1116 HH11 ARG A 122 26.336 37.275 5.020 1.00 0.00 H ATOM 1117 HH22 ARG A 122 27.806 34.405 6.432 1.00 0.00 H ATOM 1118 HH21 ARG A 122 26.248 33.688 6.981 1.00 0.00 H ATOM 1119 H ARG A 122 21.271 33.975 3.470 1.00 0.00 H ATOM 1120 N VAL A 123 22.762 34.322 0.618 1.00 18.25 N ATOM 1121 CA VAL A 123 23.103 34.083 -0.779 1.00 18.40 C ATOM 1122 C VAL A 123 22.046 34.686 -1.695 1.00 18.55 C ATOM 1123 O VAL A 123 22.365 35.393 -2.660 1.00 19.15 O ATOM 1124 CB VAL A 123 23.255 32.575 -1.033 1.00 18.86 C ATOM 1125 CG1 VAL A 123 23.408 32.303 -2.537 1.00 20.24 C ATOM 1126 CG2 VAL A 123 24.434 32.035 -0.258 1.00 20.22 C ATOM 1127 H VAL A 123 22.694 33.526 1.284 1.00 0.00 H ATOM 1128 N LEU A 124 20.761 34.367 -1.443 1.00 16.95 N ATOM 1129 CA LEU A 124 19.708 34.867 -2.310 1.00 17.02 C ATOM 1130 C LEU A 124 19.640 36.390 -2.258 1.00 18.83 C ATOM 1131 O LEU A 124 19.381 37.037 -3.277 1.00 18.87 O ATOM 1132 CB LEU A 124 18.363 34.229 -1.929 1.00 18.03 C ATOM 1133 CG LEU A 124 18.336 32.714 -2.184 1.00 20.82 C ATOM 1134 CD1 LEU A 124 17.011 32.133 -1.652 1.00 23.83 C ATOM 1135 CD2 LEU A 124 18.505 32.358 -3.660 1.00 24.36 C ATOM 1136 H LEU A 124 20.524 33.764 -0.629 1.00 0.00 H ATOM 1137 N ASN A 125 19.819 36.981 -1.074 1.00 16.36 N ATOM 1138 CA ASN A 125 19.809 38.439 -0.989 1.00 19.26 C ATOM 1139 C ASN A 125 20.950 39.046 -1.792 1.00 20.58 C ATOM 1140 O ASN A 125 20.781 40.087 -2.431 1.00 22.23 O ATOM 1141 CB ASN A 125 19.877 38.887 0.472 1.00 19.03 C ATOM 1142 CG ASN A 125 19.738 40.383 0.627 1.00 26.38 C ATOM 1143 OD1 ASN A 125 20.737 41.097 0.713 1.00 29.37 O ATOM 1144 ND2 ASN A 125 18.500 40.862 0.620 1.00 25.93 N ATOM 1145 HD22 ASN A 125 17.691 40.212 0.545 1.00 0.00 H ATOM 1146 HD21 ASN A 125 18.339 41.887 0.689 1.00 0.00 H ATOM 1147 H ASN A 125 19.964 36.407 -0.219 1.00 0.00 H ATOM 1148 N ASN A 126 22.117 38.415 -1.783 1.00 18.97 N ATOM 1149 CA ASN A 126 23.221 38.936 -2.578 1.00 20.16 C ATOM 1150 C ASN A 126 22.920 38.921 -4.062 1.00 27.33 C ATOM 1151 O ASN A 126 23.479 39.717 -4.813 1.00 25.53 O ATOM 1152 CB ASN A 126 24.478 38.151 -2.288 1.00 22.33 C ATOM 1153 CG ASN A 126 25.326 38.820 -1.269 1.00 30.34 C ATOM 1154 OD1 ASN A 126 24.979 39.896 -0.768 1.00 27.79 O ATOM 1155 ND2 ASN A 126 26.451 38.215 -0.953 1.00 28.17 N ATOM 1156 HD22 ASN A 126 26.699 37.310 -1.402 1.00 0.00 H ATOM 1157 HD21 ASN A 126 27.092 38.641 -0.254 1.00 0.00 H ATOM 1158 H ASN A 126 22.243 37.555 -1.212 1.00 0.00 H ATOM 1159 N LEU A 127 22.022 38.055 -4.509 1.00 23.32 N ATOM 1160 CA LEU A 127 21.613 38.026 -5.905 1.00 24.50 C ATOM 1161 C LEU A 127 20.320 38.785 -6.155 1.00 23.19 C ATOM 1162 O LEU A 127 19.659 38.567 -7.180 1.00 26.47 O ATOM 1163 CB LEU A 127 21.509 36.565 -6.353 1.00 22.80 C ATOM 1164 CG LEU A 127 22.862 35.841 -6.189 1.00 27.28 C ATOM 1165 CD1 LEU A 127 22.809 34.341 -6.452 1.00 32.09 C ATOM 1166 CD2 LEU A 127 23.933 36.491 -7.080 1.00 34.28 C ATOM 1167 H LEU A 127 21.598 37.377 -3.844 1.00 0.00 H ATOM 1168 N GLY A 128 19.974 39.725 -5.277 1.00 20.94 N ATOM 1169 CA GLY A 128 18.827 40.583 -5.490 1.00 22.75 C ATOM 1170 C GLY A 128 17.514 39.843 -5.547 1.00 22.38 C ATOM 1171 O GLY A 128 16.590 40.264 -6.257 1.00 24.27 O ATOM 1172 H GLY A 128 20.543 39.846 -4.415 1.00 0.00 H ATOM 1173 N VAL A 129 17.379 38.790 -4.756 1.00 19.78 N ATOM 1174 CA VAL A 129 16.151 38.025 -4.683 1.00 18.77 C ATOM 1175 C VAL A 129 15.353 38.485 -3.481 1.00 20.48 C ATOM 1176 O VAL A 129 15.840 38.437 -2.342 1.00 26.44 O ATOM 1177 CB VAL A 129 16.430 36.522 -4.579 1.00 18.01 C ATOM 1178 CG1 VAL A 129 15.120 35.785 -4.436 1.00 21.52 C ATOM 1179 CG2 VAL A 129 17.168 36.032 -5.770 1.00 19.96 C ATOM 1180 H VAL A 129 18.185 38.501 -4.165 1.00 0.00 H ATOM 1181 N SER A 130 14.133 38.899 -3.733 1.00 19.51 N ATOM 1182 CA SER A 130 13.168 39.137 -2.675 1.00 20.15 C ATOM 1183 C SER A 130 12.439 37.828 -2.446 1.00 23.54 C ATOM 1184 O SER A 130 11.848 37.289 -3.384 1.00 22.89 O ATOM 1185 CB SER A 130 12.169 40.210 -3.046 1.00 26.17 C ATOM 1186 OG SER A 130 10.974 39.933 -2.345 1.00 34.91 O ATOM 1187 HG SER A 130 10.638 39.039 -2.608 1.00 0.00 H ATOM 1188 H SER A 130 13.849 39.061 -4.720 1.00 0.00 H ATOM 1189 N LEU A 131 12.500 37.310 -1.226 1.00 22.27 N ATOM 1190 CA LEU A 131 12.010 35.948 -1.016 1.00 20.43 C ATOM 1191 C LEU A 131 10.517 35.831 -1.263 1.00 27.23 C ATOM 1192 O LEU A 131 10.059 34.820 -1.804 1.00 23.56 O ATOM 1193 CB LEU A 131 12.354 35.470 0.384 1.00 23.57 C ATOM 1194 CG LEU A 131 13.833 35.246 0.631 1.00 28.53 C ATOM 1195 CD1 LEU A 131 14.028 34.624 1.977 1.00 38.92 C ATOM 1196 CD2 LEU A 131 14.475 34.364 -0.421 1.00 28.57 C ATOM 1197 H LEU A 131 12.889 37.862 -0.435 1.00 0.00 H ATOM 1198 N ASN A 132 9.734 36.847 -0.892 1.00 25.98 N ATOM 1199 CA ASN A 132 8.297 36.744 -1.121 1.00 28.91 C ATOM 1200 C ASN A 132 7.966 36.784 -2.608 1.00 22.88 C ATOM 1201 O ASN A 132 7.032 36.109 -3.053 1.00 24.22 O ATOM 1202 CB ASN A 132 7.550 37.849 -0.369 1.00 42.25 C ATOM 1203 CG ASN A 132 8.031 39.237 -0.734 1.00 36.65 C ATOM 1204 OD1 ASN A 132 9.105 39.405 -1.304 1.00 37.24 O ATOM 1205 ND2 ASN A 132 7.238 40.245 -0.389 1.00 49.85 N ATOM 1206 HD22 ASN A 132 6.336 40.056 0.093 1.00 0.00 H ATOM 1207 HD21 ASN A 132 7.519 41.224 -0.601 1.00 0.00 H ATOM 1208 H ASN A 132 10.141 37.695 -0.448 1.00 0.00 H ATOM 1209 N LYS A 133 8.721 37.549 -3.398 1.00 22.56 N ATOM 1210 CA LYS A 133 8.490 37.547 -4.834 1.00 20.48 C ATOM 1211 C LYS A 133 8.929 36.225 -5.453 1.00 19.43 C ATOM 1212 O LYS A 133 8.247 35.695 -6.334 1.00 20.52 O ATOM 1213 CB LYS A 133 9.229 38.715 -5.498 1.00 24.23 C ATOM 1214 CG LYS A 133 9.010 38.775 -6.988 1.00 27.26 C ATOM 1215 CD LYS A 133 7.593 39.146 -7.354 1.00 34.76 C ATOM 1216 CE LYS A 133 7.476 39.397 -8.850 1.00 46.40 C ATOM 1217 NZ LYS A 133 6.094 39.749 -9.248 1.00 57.49 N ATOM 1218 HZ1 LYS A 133 5.453 38.969 -8.998 1.00 0.00 H ATOM 1219 HZ2 LYS A 133 5.800 40.613 -8.750 1.00 0.00 H ATOM 1220 HZ3 LYS A 133 6.061 39.911 -10.275 1.00 0.00 H ATOM 1221 H LYS A 133 9.470 38.143 -2.990 1.00 0.00 H ATOM 1222 N ALA A 134 10.074 35.695 -5.027 1.00 21.43 N ATOM 1223 CA ALA A 134 10.514 34.407 -5.547 1.00 18.54 C ATOM 1224 C ALA A 134 9.508 33.323 -5.218 1.00 18.29 C ATOM 1225 O ALA A 134 9.260 32.433 -6.029 1.00 18.42 O ATOM 1226 CB ALA A 134 11.884 34.044 -4.978 1.00 19.62 C ATOM 1227 H ALA A 134 10.653 36.199 -4.325 1.00 0.00 H ATOM 1228 N ARG A 135 8.936 33.368 -4.022 1.00 18.75 N ATOM 1229 CA ARG A 135 7.921 32.384 -3.655 1.00 18.90 C ATOM 1230 C ARG A 135 6.737 32.478 -4.598 1.00 17.63 C ATOM 1231 O ARG A 135 6.246 31.467 -5.110 1.00 18.02 O ATOM 1232 CB ARG A 135 7.490 32.636 -2.216 1.00 21.62 C ATOM 1233 CG ARG A 135 6.609 31.590 -1.593 1.00 24.30 C ATOM 1234 CD ARG A 135 6.396 31.960 -0.145 1.00 25.71 C ATOM 1235 NE ARG A 135 5.579 30.981 0.554 1.00 25.23 N ATOM 1236 CZ ARG A 135 5.237 31.091 1.829 1.00 25.77 C ATOM 1237 NH1 ARG A 135 5.651 32.128 2.541 1.00 30.99 N ATOM 1238 NH2 ARG A 135 4.499 30.138 2.387 1.00 27.22 N ATOM 1239 HE ARG A 135 5.245 30.150 0.025 1.00 0.00 H ATOM 1240 HH12 ARG A 135 5.381 32.212 3.542 1.00 0.00 H ATOM 1241 HH11 ARG A 135 6.246 32.858 2.099 1.00 0.00 H ATOM 1242 HH22 ARG A 135 4.224 30.212 3.387 1.00 0.00 H ATOM 1243 HH21 ARG A 135 4.197 29.318 1.824 1.00 0.00 H ATOM 1244 H ARG A 135 9.211 34.106 -3.343 1.00 0.00 H ATOM 1245 N GLN A 136 6.272 33.701 -4.837 1.00 18.36 N ATOM 1246 CA GLN A 136 5.177 33.922 -5.772 1.00 18.27 C ATOM 1247 C GLN A 136 5.520 33.396 -7.162 1.00 20.35 C ATOM 1248 O GLN A 136 4.695 32.751 -7.818 1.00 19.78 O ATOM 1249 CB GLN A 136 4.872 35.413 -5.812 1.00 19.32 C ATOM 1250 CG GLN A 136 3.636 35.714 -6.564 1.00 23.12 C ATOM 1251 CD GLN A 136 3.725 36.947 -7.400 1.00 51.03 C ATOM 1252 OE1 GLN A 136 4.150 38.007 -6.930 1.00 50.24 O ATOM 1253 NE2 GLN A 136 3.315 36.826 -8.662 1.00 54.31 N ATOM 1254 HE22 GLN A 136 2.965 35.910 -9.010 1.00 0.00 H ATOM 1255 HE21 GLN A 136 3.345 37.647 -9.299 1.00 0.00 H ATOM 1256 H GLN A 136 6.698 34.514 -4.348 1.00 0.00 H ATOM 1257 N GLN A 137 6.754 33.632 -7.616 1.00 18.88 N ATOM 1258 CA GLN A 137 7.156 33.212 -8.952 1.00 17.60 C ATOM 1259 C GLN A 137 7.265 31.702 -9.056 1.00 19.20 C ATOM 1260 O GLN A 137 6.872 31.117 -10.073 1.00 20.53 O ATOM 1261 CB GLN A 137 8.480 33.895 -9.331 1.00 18.11 C ATOM 1262 CG GLN A 137 8.226 35.360 -9.549 1.00 20.92 C ATOM 1263 CD GLN A 137 9.470 36.170 -9.749 1.00 25.10 C ATOM 1264 OE1 GLN A 137 10.493 35.910 -9.141 1.00 24.61 O ATOM 1265 NE2 GLN A 137 9.356 37.211 -10.571 1.00 32.36 N ATOM 1266 HE22 GLN A 137 8.458 37.387 -11.066 1.00 0.00 H ATOM 1267 HE21 GLN A 137 10.165 37.848 -10.718 1.00 0.00 H ATOM 1268 H GLN A 137 7.438 34.123 -7.006 1.00 0.00 H ATOM 1269 N VAL A 138 7.796 31.041 -8.024 1.00 17.65 N ATOM 1270 CA VAL A 138 7.865 29.585 -8.051 1.00 18.33 C ATOM 1271 C VAL A 138 6.463 29.007 -8.121 1.00 16.20 C ATOM 1272 O VAL A 138 6.194 28.071 -8.884 1.00 18.43 O ATOM 1273 CB VAL A 138 8.653 29.053 -6.833 1.00 16.26 C ATOM 1274 CG1 VAL A 138 8.555 27.552 -6.745 1.00 19.05 C ATOM 1275 CG2 VAL A 138 10.131 29.518 -6.945 1.00 17.50 C ATOM 1276 H VAL A 138 8.160 31.564 -7.202 1.00 0.00 H ATOM 1277 N LEU A 139 5.555 29.563 -7.328 1.00 17.85 N ATOM 1278 CA LEU A 139 4.192 29.044 -7.302 1.00 18.16 C ATOM 1279 C LEU A 139 3.501 29.285 -8.635 1.00 17.39 C ATOM 1280 O LEU A 139 2.708 28.452 -9.084 1.00 19.36 O ATOM 1281 CB LEU A 139 3.415 29.674 -6.138 1.00 17.03 C ATOM 1282 CG LEU A 139 3.812 29.156 -4.751 1.00 19.11 C ATOM 1283 CD1 LEU A 139 3.416 30.207 -3.677 1.00 20.48 C ATOM 1284 CD2 LEU A 139 3.204 27.798 -4.482 1.00 19.59 C ATOM 1285 H LEU A 139 5.816 30.369 -6.725 1.00 0.00 H ATOM 1286 N GLN A 140 3.773 30.423 -9.279 1.00 18.87 N ATOM 1287 CA GLN A 140 3.268 30.663 -10.630 1.00 19.04 C ATOM 1288 C GLN A 140 3.773 29.617 -11.615 1.00 21.69 C ATOM 1289 O GLN A 140 3.009 29.107 -12.440 1.00 21.89 O ATOM 1290 CB GLN A 140 3.637 32.080 -11.079 1.00 21.13 C ATOM 1291 CG GLN A 140 2.911 32.491 -12.331 1.00 32.84 C ATOM 1292 CD GLN A 140 3.207 33.920 -12.736 1.00 43.68 C ATOM 1293 OE1 GLN A 140 3.959 34.621 -12.063 1.00 53.73 O ATOM 1294 NE2 GLN A 140 2.616 34.355 -13.841 1.00 64.66 N ATOM 1295 HE22 GLN A 140 1.987 33.724 -14.377 1.00 0.00 H ATOM 1296 HE21 GLN A 140 2.781 35.327 -14.171 1.00 0.00 H ATOM 1297 H GLN A 140 4.353 31.149 -8.812 1.00 0.00 H ATOM 1298 N LEU A 141 5.049 29.231 -11.514 1.00 16.77 N ATOM 1299 CA LEU A 141 5.567 28.180 -12.379 1.00 19.78 C ATOM 1300 C LEU A 141 4.877 26.845 -12.113 1.00 21.24 C ATOM 1301 O LEU A 141 4.539 26.114 -13.049 1.00 22.65 O ATOM 1302 CB LEU A 141 7.078 28.076 -12.176 1.00 23.43 C ATOM 1303 CG LEU A 141 7.850 29.273 -12.686 1.00 28.85 C ATOM 1304 CD1 LEU A 141 9.343 29.037 -12.435 1.00 33.11 C ATOM 1305 CD2 LEU A 141 7.611 29.575 -14.166 1.00 40.14 C ATOM 1306 H LEU A 141 5.674 29.683 -10.816 1.00 0.00 H ATOM 1307 N LEU A 142 4.667 26.498 -10.846 1.00 20.39 N ATOM 1308 CA LEU A 142 4.004 25.244 -10.531 1.00 20.03 C ATOM 1309 C LEU A 142 2.538 25.274 -10.953 1.00 21.78 C ATOM 1310 O LEU A 142 1.968 24.241 -11.339 1.00 23.04 O ATOM 1311 CB LEU A 142 4.125 24.957 -9.033 1.00 19.62 C ATOM 1312 CG LEU A 142 5.546 24.889 -8.446 1.00 20.71 C ATOM 1313 CD1 LEU A 142 5.501 24.699 -6.939 1.00 21.85 C ATOM 1314 CD2 LEU A 142 6.349 23.803 -9.105 1.00 25.34 C ATOM 1315 H LEU A 142 4.978 27.127 -10.078 1.00 0.00 H ATOM 1316 N GLY A 143 1.916 26.443 -10.906 1.00 19.39 N ATOM 1317 CA GLY A 143 0.541 26.561 -11.346 1.00 23.60 C ATOM 1318 C GLY A 143 0.376 26.588 -12.844 1.00 26.74 C ATOM 1319 O GLY A 143 -0.759 26.580 -13.335 1.00 24.65 O ATOM 1320 H GLY A 143 2.418 27.281 -10.551 1.00 0.00 H ATOM 1321 N SER A 144 1.482 26.591 -13.577 1.00 24.22 N ATOM 1322 CA SER A 144 1.485 26.609 -15.029 1.00 24.68 C ATOM 1323 C SER A 144 1.907 25.280 -15.629 1.00 33.71 C ATOM 1324 O SER A 144 1.936 25.151 -16.853 1.00 37.10 O ATOM 1325 CB SER A 144 2.438 27.698 -15.543 1.00 32.70 C ATOM 1326 OG SER A 144 2.138 28.968 -14.986 1.00 40.22 O ATOM 1327 HG SER A 144 2.220 28.923 -14.000 1.00 0.00 H ATOM 1328 H SER A 144 2.398 26.580 -13.084 1.00 0.00 H ATOM 1329 N ASN A 145 2.278 24.309 -14.800 1.00 27.84 N ATOM 1330 CA ASN A 145 2.885 23.069 -15.263 1.00 29.56 C ATOM 1331 C ASN A 145 2.281 21.894 -14.513 1.00 30.53 C ATOM 1332 O ASN A 145 1.911 22.013 -13.346 1.00 29.60 O ATOM 1333 CB ASN A 145 4.400 23.078 -15.036 1.00 33.90 C ATOM 1334 CG ASN A 145 5.149 23.863 -16.089 1.00 40.32 C ATOM 1335 OD1 ASN A 145 5.496 23.333 -17.142 1.00 45.97 O ATOM 1336 ND2 ASN A 145 5.416 25.132 -15.805 1.00 39.44 N ATOM 1337 HD22 ASN A 145 5.103 25.540 -14.901 1.00 0.00 H ATOM 1338 HD21 ASN A 145 5.938 25.719 -16.487 1.00 0.00 H ATOM 1339 H ASN A 145 2.129 24.440 -13.779 1.00 0.00 H ATOM 1340 N GLU A 146 2.234 20.738 -15.169 1.00 34.39 N ATOM 1341 CA GLU A 146 1.850 19.513 -14.482 1.00 34.01 C ATOM 1342 C GLU A 146 3.089 18.944 -13.805 1.00 42.61 C ATOM 1343 O GLU A 146 4.113 18.723 -14.461 1.00 44.05 O ATOM 1344 CB GLU A 146 1.240 18.507 -15.456 1.00 38.15 C ATOM 1345 CG GLU A 146 0.014 19.056 -16.193 1.00 52.18 C ATOM 1346 CD GLU A 146 -0.964 17.969 -16.605 1.00 76.23 C ATOM 1347 OE1 GLU A 146 -0.624 16.775 -16.471 1.00 82.09 O ATOM 1348 OE2 GLU A 146 -2.078 18.310 -17.059 1.00 77.86 O ATOM 1349 H GLU A 146 2.473 20.709 -16.181 1.00 0.00 H ATOM 1350 N THR A 147 3.008 18.728 -12.490 1.00 27.88 N ATOM 1351 CA THR A 147 4.184 18.370 -11.704 1.00 32.50 C ATOM 1352 C THR A 147 3.924 17.167 -10.808 1.00 31.36 C ATOM 1353 O THR A 147 4.665 16.945 -9.848 1.00 29.04 O ATOM 1354 CB THR A 147 4.652 19.549 -10.846 1.00 31.29 C ATOM 1355 OG1 THR A 147 3.672 19.825 -9.833 1.00 30.39 O ATOM 1356 CG2 THR A 147 4.902 20.820 -11.699 1.00 29.86 C ATOM 1357 HG1 THR A 147 2.810 20.052 -10.263 1.00 0.00 H ATOM 1358 H THR A 147 2.087 18.817 -12.016 1.00 0.00 H ATOM 1359 N GLY A 148 2.889 16.376 -11.096 1.00 25.65 N ATOM 1360 CA GLY A 148 2.567 15.259 -10.239 1.00 29.52 C ATOM 1361 C GLY A 148 3.533 14.100 -10.425 1.00 41.73 C ATOM 1362 O GLY A 148 4.224 14.007 -11.438 1.00 37.87 O ATOM 1363 H GLY A 148 2.312 16.564 -11.941 1.00 0.00 H ATOM 1364 N SER A 149 3.585 13.236 -9.410 1.00 40.81 N ATOM 1365 CA SER A 149 4.272 11.943 -9.504 1.00 64.44 C ATOM 1366 C SER A 149 3.703 11.102 -10.638 1.00 62.47 C ATOM 1367 O SER A 149 2.534 10.718 -10.611 1.00 61.29 O ATOM 1368 CB SER A 149 4.171 11.175 -8.185 1.00 61.25 C ATOM 1369 OG SER A 149 2.867 10.661 -7.995 1.00 73.71 O ATOM 1370 HG SER A 149 2.644 10.046 -8.738 1.00 0.00 H ATOM 1371 H SER A 149 3.119 13.489 -8.515 1.00 0.00 H TER 1372 SER A 149 HETATM 1373 O HOH 1 25.856 30.840 17.189 1.00 40.64 O HETATM 1374 O HOH 2 11.686 18.111 -13.657 1.00 49.87 O HETATM 1375 O HOH 3 7.529 34.490 2.038 1.00 42.86 O HETATM 1376 O HOH 4 23.405 30.863 12.514 1.00 36.48 O HETATM 1377 O HOH 5 2.801 27.723 2.058 1.00 32.44 O HETATM 1378 O HOH 6 16.586 31.134 12.363 1.00 34.38 O HETATM 1379 O HOH 7 11.001 8.567 0.487 1.00 27.92 O HETATM 1380 O HOH 8 21.734 20.418 -15.379 1.00 40.97 O HETATM 1381 O HOH 9 25.948 34.439 -14.669 1.00 26.73 O HETATM 1382 O HOH 10 12.630 37.379 -8.965 1.00 27.05 O HETATM 1383 O HOH 11 12.917 33.420 -16.760 1.00 43.00 O HETATM 1384 O HOH 12 28.797 25.858 6.201 1.00 35.42 O HETATM 1385 O HOH 13 16.944 36.379 1.420 1.00 32.09 O HETATM 1386 O HOH 14 4.410 28.564 -0.329 1.00 31.79 O HETATM 1387 O HOH 15 5.079 15.273 -6.123 1.00 36.83 O HETATM 1388 O HOH 16 2.855 25.005 -0.441 1.00 26.98 O HETATM 1389 O HOH 17 11.941 12.993 -9.176 1.00 23.13 O HETATM 1390 O HOH 18 28.486 12.379 9.909 1.00 35.13 O HETATM 1391 O HOH 19 9.967 33.999 3.117 1.00 35.98 O HETATM 1392 O HOH 20 23.167 33.578 -11.135 1.00 36.60 O HETATM 1393 O HOH 21 1.675 21.716 -10.317 1.00 26.05 O HETATM 1394 O HOH 22 20.800 26.484 11.885 1.00 22.20 O HETATM 1395 O HOH 23 16.999 9.169 -6.025 1.00 25.04 O HETATM 1396 O HOH 24 16.229 30.932 3.113 1.00 42.18 O HETATM 1397 O HOH 25 4.647 21.095 -6.959 1.00 32.39 O HETATM 1398 O HOH 26 16.286 29.265 4.632 1.00 34.84 O HETATM 1399 O HOH 27 16.589 20.433 -8.477 1.00 19.14 O HETATM 1400 O HOH 28 22.014 15.106 -11.193 1.00 36.74 O HETATM 1401 O HOH 29 23.465 22.118 -13.253 1.00 55.71 O HETATM 1402 O HOH 30 22.700 26.167 -13.375 1.00 39.64 O HETATM 1403 O HOH 31 31.715 24.083 9.382 1.00 45.71 O HETATM 1404 O HOH 32 38.063 29.897 3.673 1.00 51.12 O HETATM 1405 O HOH 33 29.260 34.246 8.239 1.00 27.97 O HETATM 1406 O HOH 34 14.899 26.712 -16.772 1.00 42.55 O HETATM 1407 O HOH 35 6.612 26.866 -18.065 1.00 46.29 O HETATM 1408 O HOH 36 1.438 21.934 -7.472 1.00 24.83 O HETATM 1409 O HOH 37 9.783 24.349 14.955 1.00 45.53 O HETATM 1410 O HOH 38 -4.616 18.749 1.244 1.00 45.13 O HETATM 1411 O HOH 39 -4.642 20.706 1.259 1.00 42.46 O HETATM 1412 O HOH 40 10.588 26.523 -14.894 1.00 49.14 O HETATM 1413 P RPI A 41 22.189 27.497 8.383 1.00 0.14 P HETATM 1414 NH2 RPI A 41 23.773 27.368 7.936 1.00 -0.23 N HETATM 1415 CZ RPI A 41 24.890 27.234 8.816 1.00 0.31 C HETATM 1416 NE RPI A 41 24.732 27.244 10.209 1.00 -0.25 N HETATM 1417 CD RPI A 41 25.849 27.079 11.074 1.00 0.09 C HETATM 1418 CG RPI A 41 25.400 26.278 12.268 1.00 -0.00 C HETATM 1419 CB RPI A 41 24.616 27.144 13.222 1.00 0.01 C HETATM 1420 CA RPI A 41 25.423 27.432 14.466 1.00 0.03 C HETATM 1421 N RPI A 41 25.412 26.262 15.292 1.00 0.23 N HETATM 1422 H1 RPI A 41 25.802 25.486 14.780 1.00 0.20 H HETATM 1423 H2 RPI A 41 24.464 26.047 15.558 1.00 0.20 H HETATM 1424 H3 RPI A 41 25.963 26.430 16.119 1.00 0.20 H HETATM 1425 C RPI A 41 24.851 28.653 15.162 1.00 0.08 C HETATM 1426 O RPI A 41 23.752 29.168 14.789 1.00 -0.56 O HETATM 1427 OXT RPI A 41 25.498 29.178 16.105 1.00 -0.56 O HETATM 1428 H4 RPI A 41 26.463 27.650 14.182 1.00 0.10 H HETATM 1429 H5 RPI A 41 24.366 28.093 12.726 1.00 0.03 H HETATM 1430 H6 RPI A 41 23.690 26.623 13.505 1.00 0.03 H HETATM 1431 H7 RPI A 41 24.764 25.447 11.928 1.00 0.03 H HETATM 1432 H8 RPI A 41 26.283 25.876 12.787 1.00 0.03 H HETATM 1433 H9 RPI A 41 26.653 26.544 10.547 1.00 0.08 H HETATM 1434 H10 RPI A 41 26.216 28.063 11.401 1.00 0.08 H HETATM 1435 H11 RPI A 41 23.793 27.373 10.612 1.00 0.32 H HETATM 1436 NH1 RPI A 41 26.081 27.077 8.323 1.00 -0.26 N HETATM 1437 H12 RPI A 41 26.219 27.067 7.302 1.00 0.32 H HETATM 1438 H13 RPI A 41 26.888 26.963 8.953 1.00 0.32 H HETATM 1439 H14 RPI A 41 23.969 27.385 6.956 1.00 0.16 H HETATM 1440 O1P RPI A 41 21.547 26.160 8.069 1.00 -0.55 O HETATM 1441 O2P RPI A 41 21.608 28.557 7.481 1.00 -0.55 O HETATM 1442 O3P RPI A 41 22.019 27.842 9.833 1.00 -0.55 O CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1413 1414 1440 1441 1442 CONECT 1414 1413 1415 1439 CONECT 1415 1414 1416 1436 CONECT 1416 1415 1417 1435 CONECT 1417 1416 1418 1433 1434 CONECT 1418 1417 1419 1431 1432 CONECT 1419 1418 1420 1429 1430 CONECT 1420 1419 1421 1425 1428 CONECT 1421 1420 1422 1423 1424 CONECT 1422 1421 CONECT 1423 1421 CONECT 1424 1421 CONECT 1425 1420 1426 1427 CONECT 1426 1425 CONECT 1427 1425 CONECT 1428 1420 CONECT 1429 1419 CONECT 1430 1419 CONECT 1431 1418 CONECT 1432 1418 CONECT 1433 1417 CONECT 1434 1417 CONECT 1435 1416 CONECT 1436 1415 1437 1438 CONECT 1437 1436 CONECT 1438 1436 CONECT 1439 1414 CONECT 1440 1413 CONECT 1441 1413 CONECT 1442 1413 MASTER 0 0 0 0 0 0 0 0 1441 1 34 12 END
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Structure:
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Related entries of code: 5hbn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6fh3
RCSB PDB
PDBbind
RPI
Entry Information
PDB ID
5hbn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
B. subtilis ClpC N-terminal domain
Ligand Name
RPI
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=12.9uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nature Vol. 539: pp. 48-53
Ligand Properties
Formula
C
6
H
1
8
N
4
O
5
P
Molecular Weight
257.205
Exact Mass
257.101
No. of atoms
34
No. of bonds
33
Polar Surface Area
191.24
LOGP Value
-3.72 (
Computed with XLOGP3
)
-3.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 0
Canonical SMILES
OC(=O)[C@H](CCC/[NH+]=C(/NP(O)(O)O)\N)[NH3+]
InChI String
InChI=1S/C6H17N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4,13-16H,1-3,7H2,(H,11,12)(H3,8,9,10)/p+2/t4-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P37571
Entrez Gene ID
NCBI Entrez Gene ID:
938481
ASD
Information of known allosteric effects of PDB entries
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