Browse entries in the PDBbind-CN Database
HEADER 5KHD_COMPLEX COMPND 5KHD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 72 LYS LEU VAL LEU ASP LEU GLU ARG LEU ALA HIS VAL PRO SEQRES 2 A 72 GLN GLU LYS ALA GLY PRO LEU GLN ARG TYR ALA ALA THR SEQRES 3 A 72 ILE GLN SER GLN ARG GLY ASP TYR ASN GLY LYS VAL LEU SEQRES 4 A 72 SER ILE ARG GLN ASP ASP LEU ARG THR LEU ALA VAL ILE SEQRES 5 A 72 TYR ASP GLN SER PRO SER VAL LEU THR GLU GLN LEU ILE SEQRES 6 A 72 SER TRP GLY VAL LEU ASP ALA SEQRES 1 R 73 PRO LYS LEU VAL LEU ASP LEU GLU ARG LEU ALA HIS VAL SEQRES 2 R 73 PRO GLN GLU LYS ALA GLY PRO LEU GLN ARG TYR ALA ALA SEQRES 3 R 73 THR ILE GLN SER GLN ARG GLY ASP TYR ASN GLY LYS VAL SEQRES 4 R 73 LEU SER ILE ARG GLN ASP ASP LEU ARG THR LEU ALA VAL SEQRES 5 R 73 ILE TYR ASP GLN SER PRO SER VAL LEU THR GLU GLN LEU SEQRES 6 R 73 ILE SER TRP GLY VAL LEU ASP ALA HET C A 2E 68 ATOM 1 N LYS A 84 -30.490 -9.153 5.563 1.00 48.41 N ATOM 2 CA LYS A 84 -29.245 -9.838 5.911 1.00 46.23 C ATOM 3 C LYS A 84 -28.949 -10.951 4.897 1.00 44.37 C ATOM 4 O LYS A 84 -29.753 -11.864 4.716 1.00 44.22 O ATOM 5 CB LYS A 84 -29.358 -10.431 7.310 1.00 52.46 C ATOM 6 CG LYS A 84 -28.044 -10.512 8.110 1.00 58.44 C ATOM 7 CD LYS A 84 -27.598 -9.148 8.686 1.00 58.94 C ATOM 8 CE LYS A 84 -26.338 -9.263 9.621 1.00 51.65 C ATOM 9 NZ LYS A 84 -25.352 -10.140 8.950 1.00 55.69 N ATOM 10 HZ1 LYS A 84 -25.773 -11.078 8.795 1.00 0.00 H ATOM 11 HZ2 LYS A 84 -25.085 -9.723 8.035 1.00 0.00 H ATOM 12 HZ3 LYS A 84 -24.507 -10.232 9.550 1.00 0.00 H ATOM 13 HN3 LYS A 84 -31.274 -9.837 5.569 1.00 0.00 H ATOM 14 HN2 LYS A 84 -30.401 -8.735 4.615 1.00 0.00 H ATOM 15 HN1 LYS A 84 -30.677 -8.402 6.258 1.00 0.00 H ATOM 16 N LEU A 85 -27.796 -10.893 4.237 1.00 34.09 N ATOM 17 CA LEU A 85 -27.432 -11.944 3.301 1.00 32.37 C ATOM 18 C LEU A 85 -26.552 -12.969 3.963 1.00 25.06 C ATOM 19 O LEU A 85 -25.361 -12.747 4.081 1.00 28.78 O ATOM 20 CB LEU A 85 -26.688 -11.368 2.128 1.00 28.20 C ATOM 21 CG LEU A 85 -27.440 -10.238 1.436 1.00 38.97 C ATOM 22 CD1 LEU A 85 -26.613 -9.724 0.251 1.00 37.27 C ATOM 23 CD2 LEU A 85 -28.813 -10.789 0.979 1.00 45.63 C ATOM 24 H LEU A 85 -27.151 -10.092 4.391 1.00 0.00 H ATOM 25 N VAL A 86 -27.122 -14.092 4.362 1.00 21.22 N ATOM 26 CA VAL A 86 -26.388 -15.098 5.131 1.00 24.10 C ATOM 27 C VAL A 86 -26.375 -16.396 4.353 1.00 25.65 C ATOM 28 O VAL A 86 -27.431 -17.017 4.174 1.00 29.43 O ATOM 29 CB VAL A 86 -27.057 -15.362 6.525 1.00 43.01 C ATOM 30 CG1 VAL A 86 -26.255 -16.386 7.384 1.00 38.12 C ATOM 31 CG2 VAL A 86 -27.230 -14.058 7.264 1.00 41.96 C ATOM 32 H VAL A 86 -28.119 -14.266 4.123 1.00 0.00 H ATOM 33 N LEU A 87 -25.198 -16.814 3.897 1.00 25.11 N ATOM 34 CA LEU A 87 -25.050 -18.003 3.047 1.00 23.06 C ATOM 35 C LEU A 87 -24.741 -19.261 3.836 1.00 27.89 C ATOM 36 O LEU A 87 -23.892 -19.220 4.731 1.00 25.52 O ATOM 37 CB LEU A 87 -23.908 -17.812 2.035 1.00 26.35 C ATOM 38 CG LEU A 87 -24.040 -16.643 1.069 1.00 31.88 C ATOM 39 CD1 LEU A 87 -22.685 -16.353 0.445 1.00 30.77 C ATOM 40 CD2 LEU A 87 -25.067 -16.981 -0.013 1.00 36.15 C ATOM 41 H LEU A 87 -24.346 -16.276 4.153 1.00 0.00 H ATOM 42 N ASP A 88 -25.387 -20.382 3.466 1.00 21.73 N ATOM 43 CA ASP A 88 -25.121 -21.668 4.097 1.00 24.49 C ATOM 44 C ASP A 88 -24.026 -22.329 3.313 1.00 27.46 C ATOM 45 O ASP A 88 -24.235 -22.812 2.188 1.00 26.44 O ATOM 46 CB ASP A 88 -26.382 -22.561 4.107 1.00 27.06 C ATOM 47 CG ASP A 88 -26.135 -23.907 4.772 1.00 34.14 C ATOM 48 OD1 ASP A 88 -25.082 -24.530 4.525 1.00 34.36 O ATOM 49 OD2 ASP A 88 -27.016 -24.346 5.575 1.00 35.86 O ATOM 50 H ASP A 88 -26.097 -20.329 2.708 1.00 0.00 H ATOM 51 N LEU A 89 -22.836 -22.357 3.881 1.00 25.57 N ATOM 52 CA LEU A 89 -21.658 -22.801 3.123 1.00 25.99 C ATOM 53 C LEU A 89 -21.638 -24.303 2.753 1.00 26.73 C ATOM 54 O LEU A 89 -21.100 -24.671 1.720 1.00 23.78 O ATOM 55 CB LEU A 89 -20.391 -22.459 3.926 1.00 22.79 C ATOM 56 CG LEU A 89 -20.068 -20.984 4.025 1.00 28.41 C ATOM 57 CD1 LEU A 89 -18.893 -20.766 4.994 1.00 28.15 C ATOM 58 CD2 LEU A 89 -19.781 -20.343 2.617 1.00 28.23 C ATOM 59 H LEU A 89 -22.731 -22.063 4.873 1.00 0.00 H ATOM 60 N GLU A 90 -22.176 -25.163 3.625 1.00 26.31 N ATOM 61 CA GLU A 90 -22.245 -26.583 3.363 1.00 30.60 C ATOM 62 C GLU A 90 -23.189 -26.873 2.238 1.00 25.68 C ATOM 63 O GLU A 90 -22.906 -27.732 1.396 1.00 31.39 O ATOM 64 CB GLU A 90 -22.739 -27.319 4.606 1.00 37.75 C ATOM 65 CG GLU A 90 -22.095 -28.675 4.794 1.00 52.42 C ATOM 66 CD GLU A 90 -21.537 -28.883 6.229 1.00 57.75 C ATOM 67 OE1 GLU A 90 -22.013 -28.243 7.198 1.00 65.41 O ATOM 68 OE2 GLU A 90 -20.636 -29.726 6.395 1.00 47.66 O ATOM 69 H GLU A 90 -22.557 -24.798 4.521 1.00 0.00 H ATOM 70 N ARG A 91 -24.305 -26.153 2.185 1.00 24.03 N ATOM 71 CA ARG A 91 -25.210 -26.319 1.030 1.00 25.65 C ATOM 72 C ARG A 91 -24.606 -25.727 -0.237 1.00 23.72 C ATOM 73 O ARG A 91 -24.646 -26.352 -1.305 1.00 24.26 O ATOM 74 CB ARG A 91 -26.569 -25.682 1.306 1.00 23.30 C ATOM 75 CG ARG A 91 -27.329 -26.446 2.458 1.00 25.70 C ATOM 76 CD ARG A 91 -28.632 -25.792 2.747 1.00 26.59 C ATOM 77 NE ARG A 91 -29.339 -26.418 3.888 1.00 28.57 N ATOM 78 CZ ARG A 91 -30.495 -25.956 4.348 1.00 30.33 C ATOM 79 NH1 ARG A 91 -31.072 -24.903 3.773 1.00 29.95 N ATOM 80 NH2 ARG A 91 -31.079 -26.564 5.365 1.00 29.65 N ATOM 81 HE ARG A 91 -28.914 -27.250 4.345 1.00 0.00 H ATOM 82 HH12 ARG A 91 -31.978 -24.544 4.136 1.00 0.00 H ATOM 83 HH11 ARG A 91 -30.617 -24.440 2.961 1.00 0.00 H ATOM 84 HH22 ARG A 91 -31.985 -26.209 5.732 1.00 0.00 H ATOM 85 HH21 ARG A 91 -30.633 -27.397 5.798 1.00 0.00 H ATOM 86 H ARG A 91 -24.537 -25.483 2.946 1.00 0.00 H ATOM 87 N LEU A 92 -24.028 -24.535 -0.126 1.00 22.01 N ATOM 88 CA LEU A 92 -23.497 -23.846 -1.315 1.00 26.58 C ATOM 89 C LEU A 92 -22.489 -24.746 -2.046 1.00 22.27 C ATOM 90 O LEU A 92 -22.483 -24.831 -3.280 1.00 23.85 O ATOM 91 CB LEU A 92 -22.820 -22.528 -0.912 1.00 23.76 C ATOM 92 CG LEU A 92 -22.084 -21.804 -2.039 1.00 23.39 C ATOM 93 CD1 LEU A 92 -23.008 -21.556 -3.281 1.00 23.17 C ATOM 94 CD2 LEU A 92 -21.455 -20.492 -1.410 1.00 22.23 C ATOM 95 H LEU A 92 -23.950 -24.085 0.808 1.00 0.00 H ATOM 96 N ALA A 93 -21.647 -25.427 -1.273 1.00 27.71 N ATOM 97 CA ALA A 93 -20.605 -26.298 -1.825 1.00 27.38 C ATOM 98 C ALA A 93 -21.129 -27.434 -2.721 1.00 32.84 C ATOM 99 O ALA A 93 -20.422 -27.927 -3.612 1.00 28.29 O ATOM 100 CB ALA A 93 -19.811 -26.897 -0.690 1.00 27.72 C ATOM 101 H ALA A 93 -21.731 -25.338 -0.240 1.00 0.00 H ATOM 102 N HIS A 94 -22.363 -27.866 -2.466 1.00 29.53 N ATOM 103 CA HIS A 94 -22.994 -28.898 -3.282 1.00 29.09 C ATOM 104 C HIS A 94 -23.831 -28.430 -4.453 1.00 29.56 C ATOM 105 O HIS A 94 -24.357 -29.248 -5.185 1.00 32.10 O ATOM 106 CB HIS A 94 -23.824 -29.777 -2.361 1.00 29.59 C ATOM 107 CG HIS A 94 -22.986 -30.653 -1.490 1.00 33.04 C ATOM 108 ND1 HIS A 94 -22.634 -30.304 -0.198 1.00 39.14 N ATOM 109 CD2 HIS A 94 -22.382 -31.839 -1.728 1.00 36.05 C ATOM 110 CE1 HIS A 94 -21.879 -31.245 0.320 1.00 37.91 C ATOM 111 NE2 HIS A 94 -21.714 -32.200 -0.584 1.00 37.10 N ATOM 112 H HIS A 94 -22.889 -27.458 -1.667 1.00 0.00 H ATOM 113 N VAL A 95 -23.964 -27.138 -4.668 1.00 26.77 N ATOM 114 CA VAL A 95 -24.621 -26.680 -5.895 1.00 25.43 C ATOM 115 C VAL A 95 -23.642 -26.848 -7.075 1.00 28.91 C ATOM 116 O VAL A 95 -22.477 -26.441 -6.986 1.00 27.52 O ATOM 117 CB VAL A 95 -25.095 -25.216 -5.770 1.00 22.44 C ATOM 118 CG1 VAL A 95 -25.929 -24.766 -6.999 1.00 23.80 C ATOM 119 CG2 VAL A 95 -25.859 -25.023 -4.423 1.00 22.98 C ATOM 120 H VAL A 95 -23.607 -26.450 -3.975 1.00 0.00 H ATOM 121 N PRO A 96 -24.106 -27.452 -8.170 1.00 28.75 N ATOM 122 CA PRO A 96 -23.160 -27.612 -9.283 1.00 32.08 C ATOM 123 C PRO A 96 -22.605 -26.287 -9.771 1.00 34.37 C ATOM 124 O PRO A 96 -23.324 -25.265 -9.789 1.00 29.07 O ATOM 125 CB PRO A 96 -24.002 -28.273 -10.388 1.00 37.45 C ATOM 126 CG PRO A 96 -25.432 -28.125 -9.988 1.00 40.05 C ATOM 127 CD PRO A 96 -25.409 -28.093 -8.460 1.00 30.47 C ATOM 128 N GLN A 97 -21.326 -26.314 -10.161 1.00 29.05 N ATOM 129 CA GLN A 97 -20.622 -25.142 -10.690 1.00 32.42 C ATOM 130 C GLN A 97 -21.408 -24.406 -11.764 1.00 32.84 C ATOM 131 O GLN A 97 -21.384 -23.182 -11.872 1.00 30.56 O ATOM 132 CB GLN A 97 -19.216 -25.581 -11.255 1.00 37.38 C ATOM 133 H GLN A 97 -20.805 -27.211 -10.085 1.00 0.00 H ATOM 134 N GLU A 98 -22.131 -25.157 -12.589 1.00 36.83 N ATOM 135 CA GLU A 98 -22.810 -24.565 -13.718 1.00 37.03 C ATOM 136 C GLU A 98 -23.860 -23.544 -13.283 1.00 38.20 C ATOM 137 O GLU A 98 -24.250 -22.678 -14.077 1.00 43.23 O ATOM 138 CB GLU A 98 -23.439 -25.651 -14.646 1.00 45.41 C ATOM 139 CG GLU A 98 -23.069 -27.128 -14.278 1.00 60.79 C ATOM 140 CD GLU A 98 -24.300 -28.009 -13.941 1.00 59.06 C ATOM 141 OE1 GLU A 98 -24.151 -29.251 -13.812 1.00 54.06 O ATOM 142 OE2 GLU A 98 -25.426 -27.457 -13.839 1.00 62.52 O ATOM 143 H GLU A 98 -22.208 -26.180 -12.420 1.00 0.00 H ATOM 144 N LYS A 99 -24.311 -23.644 -12.025 1.00 34.19 N ATOM 145 CA LYS A 99 -25.239 -22.680 -11.436 1.00 28.95 C ATOM 146 C LYS A 99 -24.519 -21.765 -10.448 1.00 31.02 C ATOM 147 O LYS A 99 -24.726 -20.568 -10.443 1.00 32.62 O ATOM 148 CB LYS A 99 -26.340 -23.406 -10.644 1.00 25.55 C ATOM 149 CG LYS A 99 -27.456 -24.095 -11.498 1.00 41.18 C ATOM 150 CD LYS A 99 -28.502 -24.730 -10.538 1.00 43.61 C ATOM 151 CE LYS A 99 -29.577 -25.489 -11.317 1.00 45.86 C ATOM 152 NZ LYS A 99 -30.455 -24.530 -12.027 1.00 47.09 N ATOM 153 HZ1 LYS A 99 -30.911 -23.901 -11.335 1.00 0.00 H ATOM 154 HZ2 LYS A 99 -29.885 -23.965 -12.688 1.00 0.00 H ATOM 155 HZ3 LYS A 99 -31.183 -25.053 -12.554 1.00 0.00 H ATOM 156 H LYS A 99 -23.987 -24.442 -11.442 1.00 0.00 H ATOM 157 N ALA A 100 -23.674 -22.363 -9.625 1.00 27.53 N ATOM 158 CA ALA A 100 -23.157 -21.701 -8.409 1.00 26.35 C ATOM 159 C ALA A 100 -21.682 -21.286 -8.534 1.00 27.42 C ATOM 160 O ALA A 100 -21.102 -20.694 -7.611 1.00 28.32 O ATOM 161 CB ALA A 100 -23.301 -22.644 -7.224 1.00 25.78 C ATOM 162 H ALA A 100 -23.363 -23.332 -9.841 1.00 0.00 H ATOM 163 N GLY A 101 -21.040 -21.655 -9.641 1.00 29.41 N ATOM 164 CA GLY A 101 -19.617 -21.407 -9.808 1.00 28.23 C ATOM 165 C GLY A 101 -19.197 -19.995 -9.405 1.00 25.11 C ATOM 166 O GLY A 101 -18.334 -19.836 -8.540 1.00 25.77 O ATOM 167 H GLY A 101 -21.567 -22.130 -10.401 1.00 0.00 H ATOM 168 N PRO A 102 -19.821 -18.970 -9.978 1.00 23.21 N ATOM 169 CA PRO A 102 -19.313 -17.625 -9.663 1.00 26.55 C ATOM 170 C PRO A 102 -19.531 -17.236 -8.171 1.00 24.30 C ATOM 171 O PRO A 102 -18.675 -16.605 -7.529 1.00 24.77 O ATOM 172 CB PRO A 102 -20.098 -16.720 -10.611 1.00 26.42 C ATOM 173 CG PRO A 102 -20.439 -17.632 -11.799 1.00 30.64 C ATOM 174 CD PRO A 102 -20.693 -18.984 -11.174 1.00 27.45 C ATOM 175 N LEU A 103 -20.670 -17.628 -7.612 1.00 20.82 N ATOM 176 CA LEU A 103 -20.924 -17.379 -6.182 1.00 19.43 C ATOM 177 C LEU A 103 -19.908 -18.131 -5.322 1.00 23.41 C ATOM 178 O LEU A 103 -19.415 -17.593 -4.316 1.00 23.08 O ATOM 179 CB LEU A 103 -22.337 -17.834 -5.833 1.00 21.13 C ATOM 180 CG LEU A 103 -22.674 -17.694 -4.339 1.00 22.85 C ATOM 181 CD1 LEU A 103 -22.480 -16.247 -3.880 1.00 21.02 C ATOM 182 CD2 LEU A 103 -24.124 -18.241 -4.077 1.00 29.92 C ATOM 183 H LEU A 103 -21.387 -18.114 -8.187 1.00 0.00 H ATOM 184 N GLN A 104 -19.598 -19.373 -5.699 1.00 24.78 N ATOM 185 CA GLN A 104 -18.579 -20.157 -4.984 1.00 21.37 C ATOM 186 C GLN A 104 -17.213 -19.449 -4.981 1.00 20.48 C ATOM 187 O GLN A 104 -16.558 -19.299 -3.925 1.00 22.20 O ATOM 188 CB GLN A 104 -18.464 -21.592 -5.545 1.00 23.70 C ATOM 189 CG GLN A 104 -19.738 -22.411 -5.227 1.00 22.91 C ATOM 190 CD GLN A 104 -19.896 -23.658 -6.029 1.00 30.99 C ATOM 191 OE1 GLN A 104 -19.363 -23.785 -7.167 1.00 29.56 O ATOM 192 NE2 GLN A 104 -20.673 -24.594 -5.474 1.00 25.34 N ATOM 193 HE22 GLN A 104 -21.086 -24.436 -4.533 1.00 0.00 H ATOM 194 HE21 GLN A 104 -20.864 -25.480 -5.983 1.00 0.00 H ATOM 195 H GLN A 104 -20.086 -19.795 -6.514 1.00 0.00 H ATOM 196 N ARG A 105 -16.797 -18.993 -6.152 1.00 21.93 N ATOM 197 CA ARG A 105 -15.522 -18.288 -6.258 1.00 23.27 C ATOM 198 C ARG A 105 -15.554 -16.979 -5.477 1.00 22.84 C ATOM 199 O ARG A 105 -14.547 -16.598 -4.839 1.00 23.84 O ATOM 200 CB ARG A 105 -15.187 -18.019 -7.737 1.00 23.34 C ATOM 201 CG ARG A 105 -15.063 -19.319 -8.584 1.00 30.25 C ATOM 202 CD ARG A 105 -14.362 -19.071 -9.975 1.00 31.68 C ATOM 203 NE ARG A 105 -15.046 -18.096 -10.856 1.00 26.46 N ATOM 204 CZ ARG A 105 -16.098 -18.396 -11.619 1.00 32.86 C ATOM 205 NH1 ARG A 105 -16.622 -19.617 -11.550 1.00 37.27 N ATOM 206 NH2 ARG A 105 -16.680 -17.506 -12.399 1.00 36.63 N ATOM 207 HE ARG A 105 -14.685 -17.121 -10.881 1.00 0.00 H ATOM 208 HH12 ARG A 105 -17.442 -19.865 -12.139 1.00 0.00 H ATOM 209 HH11 ARG A 105 -16.211 -20.324 -10.907 1.00 0.00 H ATOM 210 HH22 ARG A 105 -17.499 -17.779 -12.979 1.00 0.00 H ATOM 211 HH21 ARG A 105 -16.320 -16.531 -12.434 1.00 0.00 H ATOM 212 H ARG A 105 -17.381 -19.137 -7.001 1.00 0.00 H ATOM 213 N TYR A 106 -16.677 -16.233 -5.574 1.00 20.65 N ATOM 214 CA TYR A 106 -16.812 -14.974 -4.844 1.00 21.50 C ATOM 215 C TYR A 106 -16.717 -15.230 -3.348 1.00 20.48 C ATOM 216 O TYR A 106 -15.946 -14.560 -2.636 1.00 21.71 O ATOM 217 CB TYR A 106 -18.141 -14.320 -5.128 1.00 22.34 C ATOM 218 CG TYR A 106 -18.148 -12.851 -4.791 1.00 23.22 C ATOM 219 CD1 TYR A 106 -17.811 -11.886 -5.747 1.00 23.12 C ATOM 220 CD2 TYR A 106 -18.566 -12.415 -3.554 1.00 26.48 C ATOM 221 CE1 TYR A 106 -17.828 -10.547 -5.451 1.00 28.82 C ATOM 222 CE2 TYR A 106 -18.565 -11.043 -3.231 1.00 26.88 C ATOM 223 CZ TYR A 106 -18.196 -10.124 -4.163 1.00 31.78 C ATOM 224 OH TYR A 106 -18.194 -8.764 -3.909 1.00 32.06 O ATOM 225 HH TYR A 106 -19.109 -8.473 -3.669 1.00 0.00 H ATOM 226 H TYR A 106 -17.458 -16.560 -6.178 1.00 0.00 H ATOM 227 N ALA A 107 -17.460 -16.226 -2.854 1.00 18.43 N ATOM 228 CA ALA A 107 -17.367 -16.534 -1.436 1.00 18.75 C ATOM 229 C ALA A 107 -15.930 -16.942 -1.021 1.00 21.38 C ATOM 230 O ALA A 107 -15.445 -16.510 0.048 1.00 22.08 O ATOM 231 CB ALA A 107 -18.398 -17.623 -1.041 1.00 23.98 C ATOM 232 H ALA A 107 -18.093 -16.771 -3.473 1.00 0.00 H ATOM 233 N ALA A 108 -15.202 -17.678 -1.860 1.00 19.77 N ATOM 234 CA ALA A 108 -13.853 -18.088 -1.488 1.00 23.23 C ATOM 235 C ALA A 108 -12.948 -16.854 -1.376 1.00 21.23 C ATOM 236 O ALA A 108 -12.064 -16.816 -0.524 1.00 21.49 O ATOM 237 CB ALA A 108 -13.259 -19.142 -2.491 1.00 21.64 C ATOM 238 H ALA A 108 -15.596 -17.960 -2.780 1.00 0.00 H ATOM 239 N THR A 109 -13.164 -15.847 -2.208 1.00 21.86 N ATOM 240 CA THR A 109 -12.290 -14.673 -2.131 1.00 24.27 C ATOM 241 C THR A 109 -12.511 -13.900 -0.830 1.00 20.70 C ATOM 242 O THR A 109 -11.551 -13.308 -0.278 1.00 22.05 O ATOM 243 CB THR A 109 -12.453 -13.706 -3.305 1.00 25.08 C ATOM 244 OG1 THR A 109 -13.761 -13.089 -3.257 1.00 25.46 O ATOM 245 CG2 THR A 109 -12.221 -14.437 -4.652 1.00 21.08 C ATOM 246 HG1 THR A 109 -14.458 -13.790 -3.312 1.00 0.00 H ATOM 247 H THR A 109 -13.938 -15.888 -2.902 1.00 0.00 H ATOM 248 N ILE A 110 -13.765 -13.853 -0.374 1.00 23.43 N ATOM 249 CA ILE A 110 -14.072 -13.270 0.936 1.00 21.41 C ATOM 250 C ILE A 110 -13.441 -14.078 2.094 1.00 23.49 C ATOM 251 O ILE A 110 -12.842 -13.515 3.024 1.00 20.99 O ATOM 252 CB ILE A 110 -15.554 -13.099 1.152 1.00 20.44 C ATOM 253 CG1 ILE A 110 -16.081 -11.967 0.249 1.00 21.44 C ATOM 254 CG2 ILE A 110 -15.806 -12.682 2.645 1.00 18.94 C ATOM 255 CD1 ILE A 110 -17.488 -11.949 0.216 1.00 25.37 C ATOM 256 H ILE A 110 -14.536 -14.236 -0.957 1.00 0.00 H ATOM 257 N GLN A 111 -13.627 -15.384 2.103 1.00 23.23 N ATOM 258 CA GLN A 111 -13.004 -16.249 3.137 1.00 21.18 C ATOM 259 C GLN A 111 -11.469 -16.055 3.245 1.00 25.77 C ATOM 260 O GLN A 111 -10.923 -15.934 4.371 1.00 23.89 O ATOM 261 CB GLN A 111 -13.316 -17.707 2.826 1.00 22.40 C ATOM 262 CG GLN A 111 -14.821 -18.042 3.016 1.00 22.86 C ATOM 263 CD GLN A 111 -15.225 -19.390 2.415 1.00 30.21 C ATOM 264 OE1 GLN A 111 -15.976 -20.144 3.023 1.00 31.68 O ATOM 265 NE2 GLN A 111 -14.746 -19.689 1.220 1.00 32.57 N ATOM 266 HE22 GLN A 111 -14.111 -19.025 0.733 1.00 0.00 H ATOM 267 HE21 GLN A 111 -15.004 -20.589 0.766 1.00 0.00 H ATOM 268 H GLN A 111 -14.223 -15.818 1.370 1.00 0.00 H ATOM 269 N SER A 112 -10.761 -16.002 2.099 1.00 27.33 N ATOM 270 CA SER A 112 -9.309 -15.868 2.147 1.00 27.70 C ATOM 271 C SER A 112 -8.891 -14.474 2.609 1.00 25.43 C ATOM 272 O SER A 112 -7.951 -14.382 3.378 1.00 29.45 O ATOM 273 CB SER A 112 -8.619 -16.271 0.822 1.00 30.81 C ATOM 274 OG SER A 112 -9.135 -15.528 -0.248 1.00 37.54 O ATOM 275 HG SER A 112 -10.107 -15.697 -0.327 1.00 0.00 H ATOM 276 H SER A 112 -11.249 -16.057 1.182 1.00 0.00 H ATOM 277 N GLN A 113 -9.599 -13.413 2.204 1.00 23.24 N ATOM 278 CA GLN A 113 -9.308 -12.058 2.651 1.00 25.59 C ATOM 279 C GLN A 113 -9.501 -11.925 4.151 1.00 28.02 C ATOM 280 O GLN A 113 -8.775 -11.198 4.813 1.00 27.82 O ATOM 281 CB GLN A 113 -10.269 -11.102 1.951 1.00 33.29 C ATOM 282 CG GLN A 113 -9.646 -9.876 1.426 1.00 45.25 C ATOM 283 CD GLN A 113 -10.576 -9.198 0.438 1.00 41.44 C ATOM 284 OE1 GLN A 113 -11.753 -9.524 0.381 1.00 45.84 O ATOM 285 NE2 GLN A 113 -10.054 -8.294 -0.358 1.00 57.49 N ATOM 286 HE22 GLN A 113 -9.047 -8.047 -0.275 1.00 0.00 H ATOM 287 HE21 GLN A 113 -10.647 -7.825 -1.072 1.00 0.00 H ATOM 288 H GLN A 113 -10.389 -13.562 1.544 1.00 0.00 H ATOM 289 N ARG A 114 -10.498 -12.632 4.676 1.00 20.86 N ATOM 290 CA ARG A 114 -10.856 -12.538 6.084 1.00 26.86 C ATOM 291 C ARG A 114 -10.004 -13.462 6.937 1.00 28.82 C ATOM 292 O ARG A 114 -9.898 -13.256 8.117 1.00 24.18 O ATOM 293 CB ARG A 114 -12.287 -13.001 6.310 1.00 22.75 C ATOM 294 CG ARG A 114 -13.401 -12.018 5.923 1.00 21.51 C ATOM 295 CD ARG A 114 -14.729 -12.652 6.333 1.00 22.23 C ATOM 296 NE ARG A 114 -15.841 -11.874 5.770 1.00 18.83 N ATOM 297 CZ ARG A 114 -17.124 -12.134 6.018 1.00 19.07 C ATOM 298 NH1 ARG A 114 -17.443 -13.166 6.769 1.00 23.69 N ATOM 299 NH2 ARG A 114 -18.055 -11.383 5.471 1.00 23.69 N ATOM 300 HE ARG A 114 -15.614 -11.076 5.143 1.00 0.00 H ATOM 301 HH12 ARG A 114 -18.442 -13.376 6.967 1.00 0.00 H ATOM 302 HH11 ARG A 114 -16.696 -13.772 7.164 1.00 0.00 H ATOM 303 HH22 ARG A 114 -19.059 -11.579 5.660 1.00 0.00 H ATOM 304 HH21 ARG A 114 -17.787 -10.593 4.850 1.00 0.00 H ATOM 305 H ARG A 114 -11.039 -13.273 4.061 1.00 0.00 H ATOM 306 N GLY A 115 -9.475 -14.522 6.332 1.00 25.20 N ATOM 307 CA GLY A 115 -9.040 -15.679 7.094 1.00 23.04 C ATOM 308 C GLY A 115 -10.218 -16.293 7.890 1.00 30.94 C ATOM 309 O GLY A 115 -10.092 -16.608 9.119 1.00 25.95 O ATOM 310 H GLY A 115 -9.371 -14.522 5.297 1.00 0.00 H ATOM 311 N ASP A 116 -11.368 -16.466 7.232 1.00 23.88 N ATOM 312 CA ASP A 116 -12.604 -16.898 7.950 1.00 25.02 C ATOM 313 C ASP A 116 -13.001 -18.259 7.391 1.00 28.77 C ATOM 314 O ASP A 116 -13.578 -18.312 6.317 1.00 23.24 O ATOM 315 CB ASP A 116 -13.753 -15.875 7.695 1.00 22.72 C ATOM 316 CG ASP A 116 -15.105 -16.279 8.344 1.00 22.88 C ATOM 317 OD1 ASP A 116 -15.225 -17.318 9.033 1.00 24.31 O ATOM 318 OD2 ASP A 116 -16.058 -15.472 8.207 1.00 23.64 O ATOM 319 H ASP A 116 -11.403 -16.298 6.206 1.00 0.00 H ATOM 320 N TYR A 117 -12.667 -19.343 8.083 1.00 27.30 N ATOM 321 CA TYR A 117 -12.939 -20.660 7.538 1.00 24.74 C ATOM 322 C TYR A 117 -13.808 -21.409 8.541 1.00 26.77 C ATOM 323 O TYR A 117 -13.534 -22.553 8.873 1.00 31.23 O ATOM 324 CB TYR A 117 -11.607 -21.384 7.184 1.00 23.20 C ATOM 325 CG TYR A 117 -10.967 -20.745 5.977 1.00 23.27 C ATOM 326 CD1 TYR A 117 -10.081 -19.686 6.109 1.00 28.06 C ATOM 327 CD2 TYR A 117 -11.332 -21.148 4.708 1.00 27.57 C ATOM 328 CE1 TYR A 117 -9.549 -19.047 4.960 1.00 27.21 C ATOM 329 CE2 TYR A 117 -10.806 -20.545 3.577 1.00 26.35 C ATOM 330 CZ TYR A 117 -9.922 -19.486 3.716 1.00 27.04 C ATOM 331 OH TYR A 117 -9.400 -18.876 2.608 1.00 29.41 O ATOM 332 HH TYR A 117 -10.136 -18.502 2.061 1.00 0.00 H ATOM 333 H TYR A 117 -12.212 -19.248 9.013 1.00 0.00 H ATOM 334 N ASN A 118 -14.859 -20.745 9.038 1.00 27.23 N ATOM 335 CA ASN A 118 -15.687 -21.322 10.109 1.00 27.74 C ATOM 336 C ASN A 118 -16.446 -22.536 9.664 1.00 28.92 C ATOM 337 O ASN A 118 -16.879 -23.320 10.497 1.00 32.27 O ATOM 338 CB ASN A 118 -16.683 -20.292 10.677 1.00 28.91 C ATOM 339 CG ASN A 118 -17.872 -19.997 9.707 1.00 30.91 C ATOM 340 OD1 ASN A 118 -18.898 -20.711 9.725 1.00 27.25 O ATOM 341 ND2 ASN A 118 -17.700 -18.987 8.830 1.00 26.70 N ATOM 342 HD22 ASN A 118 -16.828 -18.420 8.854 1.00 0.00 H ATOM 343 HD21 ASN A 118 -18.439 -18.775 8.130 1.00 0.00 H ATOM 344 H ASN A 118 -15.094 -19.805 8.661 1.00 0.00 H ATOM 345 N GLY A 119 -16.688 -22.633 8.370 1.00 32.86 N ATOM 346 CA GLY A 119 -17.246 -23.842 7.799 1.00 36.14 C ATOM 347 C GLY A 119 -18.759 -23.968 7.743 1.00 33.27 C ATOM 348 O GLY A 119 -19.271 -24.965 7.228 1.00 43.98 O ATOM 349 H GLY A 119 -16.474 -21.827 7.749 1.00 0.00 H ATOM 350 N LYS A 120 -19.500 -22.979 8.213 1.00 29.30 N ATOM 351 CA LYS A 120 -20.937 -23.174 8.262 1.00 28.02 C ATOM 352 C LYS A 120 -21.701 -22.057 7.606 1.00 23.63 C ATOM 353 O LYS A 120 -22.615 -22.309 6.822 1.00 25.98 O ATOM 354 CB LYS A 120 -21.374 -23.329 9.719 1.00 32.50 C ATOM 355 CG LYS A 120 -22.495 -24.362 9.876 1.00 53.81 C ATOM 356 CD LYS A 120 -21.991 -25.810 9.692 1.00 56.09 C ATOM 357 CE LYS A 120 -23.152 -26.850 9.638 1.00 52.40 C ATOM 358 NZ LYS A 120 -23.950 -26.830 8.354 1.00 46.78 N ATOM 359 HZ1 LYS A 120 -24.378 -25.890 8.228 1.00 0.00 H ATOM 360 HZ2 LYS A 120 -23.320 -27.036 7.553 1.00 0.00 H ATOM 361 HZ3 LYS A 120 -24.699 -27.550 8.402 1.00 0.00 H ATOM 362 H LYS A 120 -19.067 -22.091 8.537 1.00 0.00 H ATOM 363 N VAL A 121 -21.325 -20.819 7.898 1.00 21.14 N ATOM 364 CA VAL A 121 -22.065 -19.663 7.403 1.00 19.51 C ATOM 365 C VAL A 121 -21.131 -18.516 6.914 1.00 24.83 C ATOM 366 O VAL A 121 -20.034 -18.310 7.453 1.00 24.39 O ATOM 367 CB VAL A 121 -23.047 -19.166 8.527 1.00 27.35 C ATOM 368 CG1 VAL A 121 -22.260 -18.665 9.765 1.00 27.38 C ATOM 369 CG2 VAL A 121 -23.876 -18.075 8.064 1.00 31.19 C ATOM 370 H VAL A 121 -20.485 -20.669 8.492 1.00 0.00 H ATOM 371 N LEU A 122 -21.576 -17.766 5.907 1.00 22.38 N ATOM 372 CA LEU A 122 -20.880 -16.578 5.488 1.00 23.30 C ATOM 373 C LEU A 122 -21.897 -15.473 5.225 1.00 22.10 C ATOM 374 O LEU A 122 -22.728 -15.596 4.305 1.00 26.25 O ATOM 375 CB LEU A 122 -20.105 -16.899 4.202 1.00 21.48 C ATOM 376 CG LEU A 122 -19.578 -15.690 3.448 1.00 31.56 C ATOM 377 CD1 LEU A 122 -18.652 -15.009 4.338 1.00 29.68 C ATOM 378 CD2 LEU A 122 -18.843 -16.110 2.134 1.00 26.65 C ATOM 379 H LEU A 122 -22.447 -18.046 5.412 1.00 0.00 H ATOM 380 N SER A 123 -21.912 -14.452 6.095 1.00 20.67 N ATOM 381 CA SER A 123 -22.732 -13.271 5.842 1.00 23.09 C ATOM 382 C SER A 123 -21.959 -12.271 4.974 1.00 23.37 C ATOM 383 O SER A 123 -20.801 -12.018 5.269 1.00 26.15 O ATOM 384 CB SER A 123 -23.047 -12.563 7.175 1.00 19.52 C ATOM 385 OG SER A 123 -23.693 -13.493 8.073 1.00 23.19 O ATOM 386 HG SER A 123 -23.895 -13.038 8.929 1.00 0.00 H ATOM 387 H SER A 123 -21.334 -14.502 6.958 1.00 0.00 H ATOM 388 N ILE A 124 -22.593 -11.640 3.998 1.00 22.50 N ATOM 389 CA ILE A 124 -21.863 -10.747 3.120 1.00 23.99 C ATOM 390 C ILE A 124 -22.498 -9.373 3.157 1.00 23.70 C ATOM 391 O ILE A 124 -23.631 -9.216 3.626 1.00 23.27 O ATOM 392 CB ILE A 124 -21.840 -11.326 1.666 1.00 22.33 C ATOM 393 CG1 ILE A 124 -23.250 -11.424 1.068 1.00 25.25 C ATOM 394 CG2 ILE A 124 -21.216 -12.707 1.669 1.00 29.14 C ATOM 395 CD1 ILE A 124 -23.237 -11.903 -0.439 1.00 29.77 C ATOM 396 H ILE A 124 -23.614 -11.785 3.861 1.00 0.00 H ATOM 397 N ARG A 125 -21.773 -8.363 2.691 1.00 25.77 N ATOM 398 CA ARG A 125 -22.315 -7.014 2.628 1.00 26.87 C ATOM 399 C ARG A 125 -23.470 -6.884 1.656 1.00 23.61 C ATOM 400 O ARG A 125 -23.498 -7.544 0.604 1.00 27.47 O ATOM 401 CB ARG A 125 -21.223 -6.049 2.195 1.00 23.83 C ATOM 402 CG ARG A 125 -20.109 -5.931 3.244 1.00 22.89 C ATOM 403 CD ARG A 125 -19.025 -5.040 2.741 1.00 23.12 C ATOM 404 NE ARG A 125 -17.869 -5.185 3.602 1.00 19.84 N ATOM 405 CZ ARG A 125 -16.804 -4.394 3.548 1.00 26.63 C ATOM 406 NH1 ARG A 125 -16.691 -3.438 2.596 1.00 25.88 N ATOM 407 NH2 ARG A 125 -15.825 -4.599 4.419 1.00 23.38 N ATOM 408 HE ARG A 125 -17.874 -5.953 4.303 1.00 0.00 H ATOM 409 HH12 ARG A 125 -15.849 -2.828 2.569 1.00 0.00 H ATOM 410 HH11 ARG A 125 -17.446 -3.314 1.891 1.00 0.00 H ATOM 411 HH22 ARG A 125 -14.978 -3.995 4.401 1.00 0.00 H ATOM 412 HH21 ARG A 125 -15.904 -5.363 5.120 1.00 0.00 H ATOM 413 H ARG A 125 -20.801 -8.539 2.365 1.00 0.00 H ATOM 414 N GLN A 126 -24.444 -6.059 2.017 1.00 27.15 N ATOM 415 CA GLN A 126 -25.549 -5.788 1.100 1.00 31.73 C ATOM 416 C GLN A 126 -24.986 -5.386 -0.268 1.00 33.11 C ATOM 417 O GLN A 126 -25.527 -5.733 -1.318 1.00 32.99 O ATOM 418 CB GLN A 126 -26.473 -4.699 1.682 1.00 37.94 C ATOM 419 CG GLN A 126 -27.857 -4.688 1.092 1.00 48.85 C ATOM 420 CD GLN A 126 -28.638 -5.941 1.442 1.00 57.59 C ATOM 421 OE1 GLN A 126 -28.505 -6.490 2.546 1.00 59.38 O ATOM 422 NE2 GLN A 126 -29.433 -6.430 0.484 1.00 61.65 N ATOM 423 HE22 GLN A 126 -29.514 -5.936 -0.427 1.00 0.00 H ATOM 424 HE21 GLN A 126 -29.970 -7.305 0.650 1.00 0.00 H ATOM 425 H GLN A 126 -24.421 -5.605 2.952 1.00 0.00 H ATOM 426 N ASP A 127 -23.864 -4.687 -0.282 1.00 32.77 N ATOM 427 CA ASP A 127 -23.262 -4.235 -1.540 1.00 39.48 C ATOM 428 C ASP A 127 -22.626 -5.355 -2.369 1.00 38.44 C ATOM 429 O ASP A 127 -22.366 -5.187 -3.565 1.00 35.01 O ATOM 430 CB ASP A 127 -22.225 -3.147 -1.218 1.00 52.77 C ATOM 431 CG ASP A 127 -20.926 -3.316 -2.000 1.00 66.54 C ATOM 432 OD1 ASP A 127 -20.917 -2.918 -3.193 1.00 67.92 O ATOM 433 OD2 ASP A 127 -19.902 -3.803 -1.425 1.00 71.77 O ATOM 434 H ASP A 127 -23.399 -4.453 0.618 1.00 0.00 H ATOM 435 N ASP A 128 -22.367 -6.495 -1.733 1.00 27.10 N ATOM 436 CA ASP A 128 -21.914 -7.670 -2.426 1.00 28.51 C ATOM 437 C ASP A 128 -23.022 -8.262 -3.275 1.00 23.72 C ATOM 438 O ASP A 128 -22.755 -8.837 -4.310 1.00 25.07 O ATOM 439 CB ASP A 128 -21.418 -8.730 -1.466 1.00 27.66 C ATOM 440 CG ASP A 128 -20.099 -8.324 -0.792 1.00 31.58 C ATOM 441 OD1 ASP A 128 -19.202 -7.788 -1.495 1.00 34.46 O ATOM 442 OD2 ASP A 128 -19.978 -8.524 0.420 1.00 28.66 O ATOM 443 H ASP A 128 -22.496 -6.537 -0.702 1.00 0.00 H ATOM 444 N LEU A 129 -24.254 -8.134 -2.826 1.00 26.31 N ATOM 445 CA LEU A 129 -25.408 -8.582 -3.642 1.00 29.94 C ATOM 446 C LEU A 129 -25.446 -7.868 -5.001 1.00 30.39 C ATOM 447 O LEU A 129 -25.684 -8.478 -6.079 1.00 28.85 O ATOM 448 CB LEU A 129 -26.700 -8.287 -2.884 1.00 31.76 C ATOM 449 CG LEU A 129 -27.877 -8.987 -3.570 1.00 41.20 C ATOM 450 CD1 LEU A 129 -27.727 -10.525 -3.452 1.00 38.36 C ATOM 451 CD2 LEU A 129 -29.192 -8.491 -2.909 1.00 50.66 C ATOM 452 H LEU A 129 -24.419 -7.714 -1.889 1.00 0.00 H ATOM 453 N ARG A 130 -25.193 -6.561 -4.964 1.00 32.79 N ATOM 454 CA ARG A 130 -25.156 -5.742 -6.177 1.00 32.94 C ATOM 455 C ARG A 130 -24.101 -6.268 -7.124 1.00 30.23 C ATOM 456 O ARG A 130 -24.348 -6.401 -8.343 1.00 28.21 O ATOM 457 CB ARG A 130 -24.868 -4.281 -5.833 1.00 38.12 C ATOM 458 CG ARG A 130 -26.145 -3.447 -5.530 1.00 54.95 C ATOM 459 CD ARG A 130 -25.828 -2.065 -4.954 1.00 58.14 C ATOM 460 NE ARG A 130 -25.963 -2.093 -3.510 1.00 62.17 N ATOM 461 CZ ARG A 130 -25.585 -1.132 -2.679 1.00 65.53 C ATOM 462 NH1 ARG A 130 -25.029 -0.012 -3.141 1.00 68.96 N ATOM 463 NH2 ARG A 130 -25.766 -1.306 -1.376 1.00 68.57 N ATOM 464 HE ARG A 130 -26.394 -2.941 -3.090 1.00 0.00 H ATOM 465 HH12 ARG A 130 -24.737 0.735 -2.479 1.00 0.00 H ATOM 466 HH11 ARG A 130 -24.888 0.115 -4.163 1.00 0.00 H ATOM 467 HH22 ARG A 130 -25.476 -0.564 -0.707 1.00 0.00 H ATOM 468 HH21 ARG A 130 -26.198 -2.184 -1.024 1.00 0.00 H ATOM 469 H ARG A 130 -25.016 -6.108 -4.045 1.00 0.00 H ATOM 470 N THR A 131 -22.947 -6.606 -6.542 1.00 23.84 N ATOM 471 CA THR A 131 -21.812 -7.109 -7.301 1.00 25.98 C ATOM 472 C THR A 131 -22.107 -8.472 -7.874 1.00 25.31 C ATOM 473 O THR A 131 -21.853 -8.757 -9.045 1.00 26.63 O ATOM 474 CB THR A 131 -20.587 -7.239 -6.389 1.00 32.78 C ATOM 475 OG1 THR A 131 -20.249 -5.953 -5.863 1.00 37.29 O ATOM 476 CG2 THR A 131 -19.401 -7.814 -7.147 1.00 33.58 C ATOM 477 HG1 THR A 131 -20.043 -5.336 -6.609 1.00 0.00 H ATOM 478 H THR A 131 -22.857 -6.506 -5.511 1.00 0.00 H ATOM 479 N LEU A 132 -22.625 -9.359 -7.046 1.00 19.23 N ATOM 480 CA LEU A 132 -22.968 -10.690 -7.521 1.00 20.40 C ATOM 481 C LEU A 132 -24.030 -10.623 -8.640 1.00 23.11 C ATOM 482 O LEU A 132 -24.026 -11.457 -9.559 1.00 26.86 O ATOM 483 CB LEU A 132 -23.454 -11.568 -6.352 1.00 24.78 C ATOM 484 CG LEU A 132 -22.307 -12.114 -5.482 1.00 26.16 C ATOM 485 CD1 LEU A 132 -22.839 -12.586 -4.167 1.00 24.93 C ATOM 486 CD2 LEU A 132 -21.520 -13.278 -6.161 1.00 28.48 C ATOM 487 H LEU A 132 -22.789 -9.106 -6.051 1.00 0.00 H ATOM 488 N ALA A 133 -24.959 -9.691 -8.526 1.00 23.44 N ATOM 489 CA ALA A 133 -25.981 -9.556 -9.571 1.00 26.16 C ATOM 490 C ALA A 133 -25.325 -9.211 -10.927 1.00 28.61 C ATOM 491 O ALA A 133 -25.697 -9.746 -11.966 1.00 28.54 O ATOM 492 CB ALA A 133 -26.959 -8.474 -9.163 1.00 30.95 C ATOM 493 H ALA A 133 -24.966 -9.057 -7.702 1.00 0.00 H ATOM 494 N VAL A 134 -24.312 -8.342 -10.918 1.00 24.80 N ATOM 495 CA VAL A 134 -23.588 -8.035 -12.154 1.00 28.70 C ATOM 496 C VAL A 134 -22.907 -9.280 -12.705 1.00 30.03 C ATOM 497 O VAL A 134 -23.032 -9.601 -13.876 1.00 29.21 O ATOM 498 CB VAL A 134 -22.572 -6.891 -11.959 1.00 28.38 C ATOM 499 CG1 VAL A 134 -21.674 -6.740 -13.212 1.00 29.03 C ATOM 500 CG2 VAL A 134 -23.316 -5.632 -11.687 1.00 25.67 C ATOM 501 H VAL A 134 -24.035 -7.880 -10.028 1.00 0.00 H ATOM 502 N ILE A 135 -22.225 -10.012 -11.840 1.00 25.62 N ATOM 503 CA ILE A 135 -21.570 -11.234 -12.268 1.00 28.62 C ATOM 504 C ILE A 135 -22.584 -12.223 -12.876 1.00 35.42 C ATOM 505 O ILE A 135 -22.334 -12.836 -13.935 1.00 33.13 O ATOM 506 CB ILE A 135 -20.843 -11.860 -11.077 1.00 23.88 C ATOM 507 CG1 ILE A 135 -19.681 -10.954 -10.637 1.00 27.96 C ATOM 508 CG2 ILE A 135 -20.329 -13.217 -11.354 1.00 27.53 C ATOM 509 CD1 ILE A 135 -19.139 -11.334 -9.254 1.00 30.62 C ATOM 510 H ILE A 135 -22.158 -9.710 -10.847 1.00 0.00 H ATOM 511 N TYR A 136 -23.745 -12.369 -12.235 1.00 22.86 N ATOM 512 CA TYR A 136 -24.733 -13.344 -12.690 1.00 29.15 C ATOM 513 C TYR A 136 -25.580 -12.866 -13.843 1.00 33.61 C ATOM 514 O TYR A 136 -26.359 -13.658 -14.395 1.00 32.38 O ATOM 515 CB TYR A 136 -25.663 -13.739 -11.539 1.00 24.30 C ATOM 516 CG TYR A 136 -25.138 -14.973 -10.867 1.00 24.06 C ATOM 517 CD1 TYR A 136 -24.237 -14.873 -9.844 1.00 25.52 C ATOM 518 CD2 TYR A 136 -25.535 -16.210 -11.287 1.00 32.91 C ATOM 519 CE1 TYR A 136 -23.728 -15.997 -9.267 1.00 32.72 C ATOM 520 CE2 TYR A 136 -25.055 -17.322 -10.745 1.00 28.35 C ATOM 521 CZ TYR A 136 -24.136 -17.213 -9.736 1.00 29.03 C ATOM 522 OH TYR A 136 -23.652 -18.322 -9.168 1.00 30.73 O ATOM 523 HH TYR A 136 -23.199 -18.872 -9.855 1.00 0.00 H ATOM 524 H TYR A 136 -23.949 -11.782 -11.401 1.00 0.00 H ATOM 525 N ASP A 137 -25.443 -11.593 -14.204 1.00 30.78 N ATOM 526 CA ASP A 137 -26.308 -10.985 -15.203 1.00 29.88 C ATOM 527 C ASP A 137 -27.802 -11.071 -14.836 1.00 34.62 C ATOM 528 O ASP A 137 -28.649 -11.363 -15.689 1.00 32.91 O ATOM 529 CB ASP A 137 -26.070 -11.688 -16.550 1.00 31.05 C ATOM 530 CG ASP A 137 -26.101 -10.760 -17.670 1.00 42.22 C ATOM 531 OD1 ASP A 137 -25.711 -9.585 -17.438 1.00 41.01 O ATOM 532 OD2 ASP A 137 -26.525 -11.205 -18.781 1.00 46.04 O ATOM 533 H ASP A 137 -24.699 -11.018 -13.761 1.00 0.00 H ATOM 534 N GLN A 138 -28.132 -10.821 -13.563 1.00 27.01 N ATOM 535 CA GLN A 138 -29.508 -10.907 -13.071 1.00 26.68 C ATOM 536 C GLN A 138 -29.735 -9.702 -12.188 1.00 27.72 C ATOM 537 O GLN A 138 -28.767 -9.116 -11.714 1.00 32.38 O ATOM 538 CB GLN A 138 -29.700 -12.165 -12.214 1.00 25.52 C ATOM 539 CG GLN A 138 -29.502 -13.437 -12.955 1.00 32.58 C ATOM 540 CD GLN A 138 -29.830 -14.637 -12.125 1.00 43.93 C ATOM 541 OE1 GLN A 138 -29.592 -14.667 -10.905 1.00 47.91 O ATOM 542 NE2 GLN A 138 -30.404 -15.640 -12.763 1.00 48.72 N ATOM 543 HE22 GLN A 138 -30.584 -15.571 -13.785 1.00 0.00 H ATOM 544 HE21 GLN A 138 -30.676 -16.499 -12.244 1.00 0.00 H ATOM 545 H GLN A 138 -27.380 -10.555 -12.896 1.00 0.00 H ATOM 546 N SER A 139 -30.983 -9.327 -11.922 1.00 30.14 N ATOM 547 CA SER A 139 -31.222 -8.318 -10.909 1.00 28.76 C ATOM 548 C SER A 139 -30.906 -8.871 -9.496 1.00 31.35 C ATOM 549 O SER A 139 -30.974 -10.081 -9.256 1.00 29.26 O ATOM 550 CB SER A 139 -32.664 -7.884 -10.929 1.00 36.14 C ATOM 551 OG SER A 139 -33.442 -8.880 -10.284 1.00 33.54 O ATOM 552 HG SER A 139 -34.394 -8.608 -10.289 1.00 0.00 H ATOM 553 H SER A 139 -31.780 -9.754 -12.436 1.00 0.00 H ATOM 554 N PRO A 140 -30.583 -7.981 -8.557 1.00 33.25 N ATOM 555 CA PRO A 140 -30.286 -8.444 -7.208 1.00 31.55 C ATOM 556 C PRO A 140 -31.476 -9.228 -6.640 1.00 34.45 C ATOM 557 O PRO A 140 -31.252 -10.158 -5.869 1.00 32.04 O ATOM 558 CB PRO A 140 -30.098 -7.137 -6.432 1.00 34.86 C ATOM 559 CG PRO A 140 -29.672 -6.142 -7.500 1.00 35.35 C ATOM 560 CD PRO A 140 -30.404 -6.520 -8.713 1.00 37.04 C ATOM 561 N SER A 141 -32.715 -8.850 -7.014 1.00 31.01 N ATOM 562 CA SER A 141 -33.925 -9.502 -6.450 1.00 34.92 C ATOM 563 C SER A 141 -34.139 -10.893 -7.016 1.00 32.29 C ATOM 564 O SER A 141 -34.555 -11.801 -6.303 1.00 29.29 O ATOM 565 CB SER A 141 -35.167 -8.633 -6.712 1.00 36.16 C ATOM 566 OG SER A 141 -35.117 -7.548 -5.808 1.00 44.66 O ATOM 567 HG SER A 141 -34.289 -7.028 -5.964 1.00 0.00 H ATOM 568 H SER A 141 -32.826 -8.087 -7.711 1.00 0.00 H ATOM 569 N VAL A 142 -33.884 -11.035 -8.307 1.00 27.84 N ATOM 570 CA VAL A 142 -33.976 -12.329 -8.965 1.00 29.69 C ATOM 571 C VAL A 142 -32.884 -13.244 -8.410 1.00 24.99 C ATOM 572 O VAL A 142 -33.157 -14.380 -8.080 1.00 25.78 O ATOM 573 CB VAL A 142 -33.888 -12.182 -10.487 1.00 29.60 C ATOM 574 CG1 VAL A 142 -33.631 -13.506 -11.145 1.00 29.94 C ATOM 575 CG2 VAL A 142 -35.166 -11.602 -10.974 1.00 26.79 C ATOM 576 H VAL A 142 -33.611 -10.201 -8.865 1.00 0.00 H ATOM 577 N LEU A 143 -31.672 -12.722 -8.253 1.00 24.84 N ATOM 578 CA LEU A 143 -30.580 -13.520 -7.674 1.00 27.82 C ATOM 579 C LEU A 143 -30.932 -13.982 -6.254 1.00 23.07 C ATOM 580 O LEU A 143 -30.699 -15.102 -5.906 1.00 26.81 O ATOM 581 CB LEU A 143 -29.252 -12.741 -7.653 1.00 26.09 C ATOM 582 CG LEU A 143 -28.030 -13.566 -7.168 1.00 29.28 C ATOM 583 CD1 LEU A 143 -27.816 -14.834 -7.978 1.00 28.05 C ATOM 584 CD2 LEU A 143 -26.753 -12.693 -7.280 1.00 32.13 C ATOM 585 H LEU A 143 -31.494 -11.739 -8.542 1.00 0.00 H ATOM 586 N THR A 144 -31.467 -13.083 -5.440 1.00 24.83 N ATOM 587 CA THR A 144 -31.846 -13.435 -4.090 1.00 25.13 C ATOM 588 C THR A 144 -32.840 -14.586 -4.097 1.00 26.27 C ATOM 589 O THR A 144 -32.713 -15.577 -3.353 1.00 25.34 O ATOM 590 CB THR A 144 -32.432 -12.202 -3.366 1.00 25.76 C ATOM 591 OG1 THR A 144 -31.373 -11.244 -3.193 1.00 34.41 O ATOM 592 CG2 THR A 144 -32.992 -12.581 -2.059 1.00 28.29 C ATOM 593 HG1 THR A 144 -31.017 -10.984 -4.079 1.00 0.00 H ATOM 594 H THR A 144 -31.616 -12.111 -5.777 1.00 0.00 H ATOM 595 N GLU A 145 -33.829 -14.469 -4.963 1.00 26.08 N ATOM 596 CA GLU A 145 -34.831 -15.493 -5.081 1.00 26.66 C ATOM 597 C GLU A 145 -34.188 -16.813 -5.436 1.00 24.28 C ATOM 598 O GLU A 145 -34.567 -17.837 -4.894 1.00 26.80 O ATOM 599 CB GLU A 145 -35.826 -15.030 -6.138 1.00 32.25 C ATOM 600 CG GLU A 145 -36.840 -16.026 -6.577 1.00 36.52 C ATOM 601 CD GLU A 145 -37.658 -15.421 -7.752 1.00 58.11 C ATOM 602 OE1 GLU A 145 -38.048 -16.160 -8.681 1.00 60.10 O ATOM 603 OE2 GLU A 145 -37.858 -14.179 -7.746 1.00 54.65 O ATOM 604 H GLU A 145 -33.884 -13.625 -5.568 1.00 0.00 H ATOM 605 N GLN A 146 -33.212 -16.787 -6.353 1.00 26.12 N ATOM 606 CA GLN A 146 -32.570 -18.017 -6.821 1.00 24.94 C ATOM 607 C GLN A 146 -31.815 -18.689 -5.645 1.00 22.50 C ATOM 608 O GLN A 146 -31.964 -19.884 -5.392 1.00 24.60 O ATOM 609 CB GLN A 146 -31.579 -17.734 -7.960 1.00 29.66 C ATOM 610 CG GLN A 146 -32.092 -18.038 -9.343 1.00 47.49 C ATOM 611 CD GLN A 146 -30.943 -18.395 -10.290 1.00 58.98 C ATOM 612 OE1 GLN A 146 -29.878 -17.752 -10.279 1.00 58.40 O ATOM 613 NE2 GLN A 146 -31.128 -19.466 -11.059 1.00 59.97 N ATOM 614 HE22 GLN A 146 -32.036 -19.973 -11.035 1.00 0.00 H ATOM 615 HE21 GLN A 146 -30.365 -19.796 -11.683 1.00 0.00 H ATOM 616 H GLN A 146 -32.903 -15.873 -6.741 1.00 0.00 H ATOM 617 N LEU A 147 -31.075 -17.886 -4.877 1.00 25.41 N ATOM 618 CA LEU A 147 -30.277 -18.419 -3.808 1.00 28.44 C ATOM 619 C LEU A 147 -31.224 -18.913 -2.708 1.00 29.44 C ATOM 620 O LEU A 147 -30.961 -19.932 -2.081 1.00 24.85 O ATOM 621 CB LEU A 147 -29.270 -17.373 -3.287 1.00 27.54 C ATOM 622 CG LEU A 147 -28.291 -16.784 -4.335 1.00 28.40 C ATOM 623 CD1 LEU A 147 -27.325 -15.746 -3.639 1.00 36.26 C ATOM 624 CD2 LEU A 147 -27.518 -17.814 -5.001 1.00 29.01 C ATOM 625 H LEU A 147 -31.076 -16.861 -5.055 1.00 0.00 H ATOM 626 N ILE A 148 -32.345 -18.224 -2.473 1.00 27.79 N ATOM 627 CA ILE A 148 -33.330 -18.717 -1.482 1.00 25.02 C ATOM 628 C ILE A 148 -33.910 -20.058 -1.955 1.00 25.93 C ATOM 629 O ILE A 148 -34.065 -21.013 -1.169 1.00 23.18 O ATOM 630 CB ILE A 148 -34.507 -17.714 -1.275 1.00 28.03 C ATOM 631 CG1 ILE A 148 -34.041 -16.469 -0.512 1.00 30.25 C ATOM 632 CG2 ILE A 148 -35.653 -18.382 -0.539 1.00 29.49 C ATOM 633 CD1 ILE A 148 -35.087 -15.316 -0.500 1.00 28.89 C ATOM 634 H ILE A 148 -32.527 -17.339 -2.988 1.00 0.00 H ATOM 635 N SER A 149 -34.155 -20.158 -3.260 1.00 27.36 N ATOM 636 CA SER A 149 -34.769 -21.391 -3.825 1.00 25.89 C ATOM 637 C SER A 149 -33.792 -22.580 -3.770 1.00 26.60 C ATOM 638 O SER A 149 -34.217 -23.742 -3.765 1.00 29.68 O ATOM 639 CB SER A 149 -35.241 -21.188 -5.271 1.00 32.86 C ATOM 640 OG SER A 149 -34.144 -21.264 -6.226 1.00 28.97 O ATOM 641 HG SER A 149 -33.478 -20.561 -6.019 1.00 0.00 H ATOM 642 H SER A 149 -33.915 -19.367 -3.891 1.00 0.00 H ATOM 643 N TRP A 150 -32.488 -22.289 -3.723 1.00 26.00 N ATOM 644 CA TRP A 150 -31.476 -23.335 -3.572 1.00 24.36 C ATOM 645 C TRP A 150 -31.307 -23.699 -2.111 1.00 29.04 C ATOM 646 O TRP A 150 -30.573 -24.652 -1.770 1.00 32.08 O ATOM 647 CB TRP A 150 -30.106 -22.879 -4.088 1.00 23.14 C ATOM 648 CG TRP A 150 -30.014 -22.524 -5.541 1.00 26.75 C ATOM 649 CD1 TRP A 150 -30.930 -22.765 -6.514 1.00 27.96 C ATOM 650 CD2 TRP A 150 -28.922 -21.845 -6.161 1.00 31.07 C ATOM 651 NE1 TRP A 150 -30.478 -22.269 -7.709 1.00 33.72 N ATOM 652 CE2 TRP A 150 -29.242 -21.711 -7.526 1.00 33.53 C ATOM 653 CE3 TRP A 150 -27.706 -21.344 -5.698 1.00 31.60 C ATOM 654 CZ2 TRP A 150 -28.399 -21.074 -8.440 1.00 33.38 C ATOM 655 CZ3 TRP A 150 -26.862 -20.717 -6.596 1.00 37.44 C ATOM 656 CH2 TRP A 150 -27.220 -20.575 -7.956 1.00 34.51 C ATOM 657 HE1 TRP A 150 -30.993 -22.310 -8.612 1.00 0.00 H ATOM 658 H TRP A 150 -32.186 -21.296 -3.795 1.00 0.00 H ATOM 659 N GLY A 151 -31.949 -22.934 -1.223 1.00 26.52 N ATOM 660 CA GLY A 151 -31.805 -23.162 0.211 1.00 27.73 C ATOM 661 C GLY A 151 -30.443 -22.683 0.741 1.00 27.47 C ATOM 662 O GLY A 151 -30.057 -22.983 1.889 1.00 30.43 O ATOM 663 H GLY A 151 -32.561 -22.164 -1.560 1.00 0.00 H ATOM 664 N VAL A 152 -29.713 -21.927 -0.083 1.00 23.10 N ATOM 665 CA VAL A 152 -28.394 -21.403 0.307 1.00 25.73 C ATOM 666 C VAL A 152 -28.491 -20.078 1.110 1.00 32.15 C ATOM 667 O VAL A 152 -27.725 -19.795 2.050 1.00 30.91 O ATOM 668 CB VAL A 152 -27.485 -21.288 -0.953 1.00 32.98 C ATOM 669 CG1 VAL A 152 -26.380 -20.247 -0.717 1.00 37.01 C ATOM 670 CG2 VAL A 152 -26.942 -22.688 -1.363 1.00 30.15 C ATOM 671 H VAL A 152 -30.087 -21.702 -1.027 1.00 0.00 H ATOM 672 N LEU A 153 -29.475 -19.276 0.773 1.00 28.31 N ATOM 673 CA LEU A 153 -29.665 -17.992 1.394 1.00 32.75 C ATOM 674 C LEU A 153 -30.908 -18.098 2.214 1.00 36.59 C ATOM 675 O LEU A 153 -31.926 -18.630 1.759 1.00 34.75 O ATOM 676 CB LEU A 153 -29.833 -16.924 0.313 1.00 35.63 C ATOM 677 CG LEU A 153 -29.873 -15.484 0.784 1.00 39.17 C ATOM 678 CD1 LEU A 153 -28.558 -15.137 1.448 1.00 40.98 C ATOM 679 CD2 LEU A 153 -30.112 -14.609 -0.453 1.00 32.62 C ATOM 680 H LEU A 153 -30.139 -19.579 0.032 1.00 0.00 H ATOM 681 N ASP A 154 -30.844 -17.619 3.440 1.00 42.42 N ATOM 682 CA ASP A 154 -32.009 -17.657 4.304 1.00 47.56 C ATOM 683 C ASP A 154 -33.066 -16.683 3.800 1.00 43.22 C ATOM 684 O ASP A 154 -32.744 -15.611 3.287 1.00 44.66 O ATOM 685 CB ASP A 154 -31.572 -17.273 5.709 1.00 57.68 C ATOM 686 CG ASP A 154 -32.556 -17.738 6.786 1.00 68.95 C ATOM 687 OD1 ASP A 154 -33.647 -18.276 6.449 1.00 73.11 O ATOM 688 OD2 ASP A 154 -32.218 -17.587 7.980 1.00 72.87 O ATOM 689 H ASP A 154 -29.954 -17.211 3.790 1.00 0.00 H ATOM 690 N ALA A 155 -34.325 -17.049 3.939 1.00 35.67 N ATOM 691 CA ALA A 155 -35.408 -16.196 3.471 1.00 37.90 C ATOM 692 C ALA A 155 -35.944 -15.365 4.630 1.00 47.39 C ATOM 693 O ALA A 155 -36.379 -14.237 4.397 1.00 50.54 O ATOM 694 CB ALA A 155 -36.507 -17.015 2.885 1.00 38.71 C ATOM 695 H ALA A 155 -34.548 -17.960 4.389 1.00 0.00 H TER 696 ALA A 155 ATOM 697 N PRO R 83 -2.318 0.841 7.750 1.00 44.42 N ATOM 698 CA PRO R 83 -2.384 -0.176 8.812 1.00 46.39 C ATOM 699 C PRO R 83 -3.822 -0.671 9.048 1.00 42.35 C ATOM 700 O PRO R 83 -4.731 0.150 9.102 1.00 39.81 O ATOM 701 CB PRO R 83 -1.829 0.560 10.049 1.00 49.78 C ATOM 702 CG PRO R 83 -1.952 2.008 9.732 1.00 50.19 C ATOM 703 CD PRO R 83 -1.763 2.108 8.243 1.00 50.56 C ATOM 704 HN2 PRO R 83 -3.277 1.012 7.387 1.00 0.00 H ATOM 705 HN1 PRO R 83 -1.715 0.486 6.980 1.00 0.00 H ATOM 706 N LYS R 84 -4.036 -1.978 9.178 1.00 42.11 N ATOM 707 CA LYS R 84 -5.384 -2.475 9.492 1.00 39.64 C ATOM 708 C LYS R 84 -5.853 -1.892 10.837 1.00 34.61 C ATOM 709 O LYS R 84 -5.094 -1.892 11.801 1.00 37.22 O ATOM 710 CB LYS R 84 -5.424 -3.999 9.550 1.00 35.81 C ATOM 711 CG LYS R 84 -6.856 -4.560 9.629 1.00 30.63 C ATOM 712 CD LYS R 84 -6.824 -6.042 9.442 1.00 32.26 C ATOM 713 CE LYS R 84 -8.214 -6.631 9.524 1.00 30.68 C ATOM 714 NZ LYS R 84 -8.221 -8.104 9.260 1.00 32.19 N ATOM 715 HZ1 LYS R 84 -7.848 -8.286 8.306 1.00 0.00 H ATOM 716 HZ2 LYS R 84 -7.624 -8.584 9.964 1.00 0.00 H ATOM 717 HZ3 LYS R 84 -9.195 -8.462 9.327 1.00 0.00 H ATOM 718 H LYS R 84 -3.250 -2.648 9.058 1.00 0.00 H ATOM 719 N LEU R 85 -7.080 -1.380 10.880 1.00 31.30 N ATOM 720 CA LEU R 85 -7.609 -0.707 12.064 1.00 30.54 C ATOM 721 C LEU R 85 -8.145 -1.699 13.107 1.00 27.45 C ATOM 722 O LEU R 85 -9.349 -1.792 13.339 1.00 26.96 O ATOM 723 CB LEU R 85 -8.703 0.295 11.675 1.00 32.81 C ATOM 724 CG LEU R 85 -8.239 1.380 10.690 1.00 32.62 C ATOM 725 CD1 LEU R 85 -9.379 2.337 10.328 1.00 32.89 C ATOM 726 CD2 LEU R 85 -7.059 2.132 11.328 1.00 36.51 C ATOM 727 H LEU R 85 -7.686 -1.462 10.039 1.00 0.00 H ATOM 728 N VAL R 86 -7.232 -2.414 13.749 1.00 28.35 N ATOM 729 CA VAL R 86 -7.559 -3.385 14.797 1.00 27.09 C ATOM 730 C VAL R 86 -7.325 -2.700 16.158 1.00 32.64 C ATOM 731 O VAL R 86 -6.201 -2.411 16.531 1.00 35.88 O ATOM 732 CB VAL R 86 -6.684 -4.623 14.659 1.00 29.98 C ATOM 733 CG1 VAL R 86 -7.057 -5.692 15.702 1.00 26.65 C ATOM 734 CG2 VAL R 86 -6.825 -5.197 13.209 1.00 28.56 C ATOM 735 H VAL R 86 -6.232 -2.279 13.496 1.00 0.00 H ATOM 736 N LEU R 87 -8.405 -2.376 16.836 1.00 29.77 N ATOM 737 CA LEU R 87 -8.344 -1.459 17.953 1.00 28.14 C ATOM 738 C LEU R 87 -8.460 -2.272 19.225 1.00 30.45 C ATOM 739 O LEU R 87 -9.205 -3.251 19.282 1.00 32.78 O ATOM 740 CB LEU R 87 -9.531 -0.515 17.884 1.00 29.77 C ATOM 741 CG LEU R 87 -9.668 0.288 16.563 1.00 29.40 C ATOM 742 CD1 LEU R 87 -10.850 1.190 16.667 1.00 32.71 C ATOM 743 CD2 LEU R 87 -8.353 1.074 16.293 1.00 34.05 C ATOM 744 H LEU R 87 -9.321 -2.787 16.563 1.00 0.00 H ATOM 745 N ASP R 88 -7.767 -1.843 20.266 1.00 31.01 N ATOM 746 CA ASP R 88 -7.834 -2.520 21.568 1.00 30.23 C ATOM 747 C ASP R 88 -8.668 -1.642 22.444 1.00 31.32 C ATOM 748 O ASP R 88 -8.235 -0.562 22.844 1.00 35.85 O ATOM 749 CB ASP R 88 -6.423 -2.654 22.159 1.00 33.31 C ATOM 750 CG ASP R 88 -6.395 -3.394 23.515 1.00 41.58 C ATOM 751 OD1 ASP R 88 -7.362 -3.310 24.277 1.00 34.39 O ATOM 752 OD2 ASP R 88 -5.380 -4.073 23.782 1.00 44.30 O ATOM 753 H ASP R 88 -7.159 -1.006 20.161 1.00 0.00 H ATOM 754 N LEU R 89 -9.881 -2.078 22.736 1.00 31.61 N ATOM 755 CA LEU R 89 -10.827 -1.237 23.436 1.00 34.30 C ATOM 756 C LEU R 89 -10.386 -1.051 24.892 1.00 33.87 C ATOM 757 O LEU R 89 -10.780 -0.104 25.553 1.00 36.06 O ATOM 758 CB LEU R 89 -12.194 -1.881 23.430 1.00 36.04 C ATOM 759 CG LEU R 89 -12.790 -1.963 22.016 1.00 33.62 C ATOM 760 CD1 LEU R 89 -14.122 -2.702 21.992 1.00 41.82 C ATOM 761 CD2 LEU R 89 -12.925 -0.562 21.436 1.00 38.62 C ATOM 762 H LEU R 89 -10.160 -3.041 22.458 1.00 0.00 H ATOM 763 N GLU R 90 -9.569 -1.980 25.362 1.00 32.69 N ATOM 764 CA GLU R 90 -9.033 -1.890 26.727 1.00 34.12 C ATOM 765 C GLU R 90 -7.869 -0.884 26.788 1.00 35.67 C ATOM 766 O GLU R 90 -7.756 -0.115 27.768 1.00 42.08 O ATOM 767 CB GLU R 90 -8.654 -3.307 27.242 1.00 31.45 C ATOM 768 CG GLU R 90 -8.428 -3.407 28.798 1.00 49.88 C ATOM 769 CD GLU R 90 -6.964 -3.153 29.161 1.00 62.52 C ATOM 770 OE1 GLU R 90 -6.152 -2.977 28.226 1.00 64.40 O ATOM 771 OE2 GLU R 90 -6.607 -3.150 30.364 1.00 70.62 O ATOM 772 H GLU R 90 -9.303 -2.784 24.758 1.00 0.00 H ATOM 773 N ARG R 91 -6.985 -0.875 25.786 1.00 39.51 N ATOM 774 CA ARG R 91 -5.924 0.142 25.728 1.00 33.00 C ATOM 775 C ARG R 91 -6.577 1.519 25.619 1.00 37.95 C ATOM 776 O ARG R 91 -6.194 2.459 26.324 1.00 38.07 O ATOM 777 CB ARG R 91 -4.994 -0.088 24.541 1.00 43.42 C ATOM 778 CG ARG R 91 -3.667 -0.744 24.856 1.00 52.46 C ATOM 779 CD ARG R 91 -2.645 0.292 25.320 1.00 50.87 C ATOM 780 NE ARG R 91 -2.923 0.746 26.680 1.00 46.20 N ATOM 781 CZ ARG R 91 -2.621 1.953 27.148 1.00 43.16 C ATOM 782 NH1 ARG R 91 -2.040 2.843 26.362 1.00 41.63 N ATOM 783 NH2 ARG R 91 -2.905 2.260 28.416 1.00 39.74 N ATOM 784 HE ARG R 91 -3.390 0.079 27.327 1.00 0.00 H ATOM 785 HH12 ARG R 91 -1.805 3.787 26.730 1.00 0.00 H ATOM 786 HH11 ARG R 91 -1.818 2.599 25.376 1.00 0.00 H ATOM 787 HH22 ARG R 91 -2.671 3.203 28.788 1.00 0.00 H ATOM 788 HH21 ARG R 91 -3.360 1.556 29.032 1.00 0.00 H ATOM 789 H ARG R 91 -7.048 -1.595 25.039 1.00 0.00 H ATOM 790 N LEU R 92 -7.560 1.623 24.703 1.00 34.24 N ATOM 791 CA LEU R 92 -8.351 2.849 24.496 1.00 32.62 C ATOM 792 C LEU R 92 -9.017 3.360 25.758 1.00 40.24 C ATOM 793 O LEU R 92 -9.173 4.571 25.932 1.00 37.90 O ATOM 794 CB LEU R 92 -9.430 2.612 23.443 1.00 31.90 C ATOM 795 CG LEU R 92 -10.231 3.841 22.993 1.00 35.67 C ATOM 796 CD1 LEU R 92 -9.287 4.936 22.423 1.00 34.84 C ATOM 797 CD2 LEU R 92 -11.302 3.433 21.964 1.00 32.77 C ATOM 798 H LEU R 92 -7.771 0.794 24.111 1.00 0.00 H ATOM 799 N ALA R 93 -9.429 2.463 26.649 1.00 39.94 N ATOM 800 CA ALA R 93 -10.071 2.916 27.870 1.00 37.65 C ATOM 801 C ALA R 93 -9.085 3.714 28.742 1.00 35.01 C ATOM 802 O ALA R 93 -9.514 4.521 29.537 1.00 40.96 O ATOM 803 CB ALA R 93 -10.647 1.733 28.661 1.00 40.48 C ATOM 804 H ALA R 93 -9.293 1.447 26.473 1.00 0.00 H ATOM 805 N HIS R 94 -7.767 3.486 28.613 1.00 41.19 N ATOM 806 CA HIS R 94 -6.766 4.196 29.449 1.00 38.44 C ATOM 807 C HIS R 94 -6.391 5.556 28.845 1.00 45.39 C ATOM 808 O HIS R 94 -5.511 6.272 29.352 1.00 45.05 O ATOM 809 CB HIS R 94 -5.511 3.334 29.660 1.00 43.15 C ATOM 810 CG HIS R 94 -5.762 2.137 30.523 1.00 43.04 C ATOM 811 ND1 HIS R 94 -6.272 0.953 30.023 1.00 44.88 N ATOM 812 CD2 HIS R 94 -5.630 1.951 31.866 1.00 50.06 C ATOM 813 CE1 HIS R 94 -6.428 0.087 31.014 1.00 45.05 C ATOM 814 NE2 HIS R 94 -6.042 0.667 32.142 1.00 52.95 N ATOM 815 H HIS R 94 -7.439 2.794 27.909 1.00 0.00 H ATOM 816 N VAL R 95 -7.075 5.913 27.757 1.00 41.13 N ATOM 817 CA VAL R 95 -6.809 7.174 27.072 1.00 39.40 C ATOM 818 C VAL R 95 -7.687 8.287 27.637 1.00 43.03 C ATOM 819 O VAL R 95 -8.887 8.113 27.816 1.00 40.32 O ATOM 820 CB VAL R 95 -7.045 7.008 25.532 1.00 30.90 C ATOM 821 CG1 VAL R 95 -7.027 8.368 24.855 1.00 36.74 C ATOM 822 CG2 VAL R 95 -5.948 6.149 25.000 1.00 37.15 C ATOM 823 H VAL R 95 -7.813 5.280 27.389 1.00 0.00 H ATOM 824 N PRO R 96 -7.081 9.464 27.945 1.00 45.96 N ATOM 825 CA PRO R 96 -7.925 10.528 28.505 1.00 46.55 C ATOM 826 C PRO R 96 -9.149 10.797 27.631 1.00 46.15 C ATOM 827 O PRO R 96 -9.072 10.711 26.388 1.00 39.94 O ATOM 828 CB PRO R 96 -6.986 11.758 28.590 1.00 47.44 C ATOM 829 CG PRO R 96 -5.788 11.413 27.810 1.00 50.64 C ATOM 830 CD PRO R 96 -5.688 9.884 27.748 1.00 46.36 C ATOM 831 N GLN R 97 -10.261 11.104 28.296 1.00 45.66 N ATOM 832 CA GLN R 97 -11.565 11.205 27.667 1.00 48.20 C ATOM 833 C GLN R 97 -11.643 12.236 26.571 1.00 47.64 C ATOM 834 O GLN R 97 -12.423 12.078 25.650 1.00 42.31 O ATOM 835 CB GLN R 97 -12.662 11.529 28.678 1.00 53.91 C ATOM 836 CG GLN R 97 -14.006 11.693 27.989 1.00 60.96 C ATOM 837 CD GLN R 97 -15.174 11.887 28.939 1.00 66.12 C ATOM 838 OE1 GLN R 97 -14.993 12.165 30.132 1.00 62.75 O ATOM 839 NE2 GLN R 97 -16.408 11.734 28.400 1.00 70.96 N ATOM 840 HE22 GLN R 97 -16.510 11.500 27.392 1.00 0.00 H ATOM 841 HE21 GLN R 97 -17.253 11.850 28.995 1.00 0.00 H ATOM 842 H GLN R 97 -10.192 11.280 29.319 1.00 0.00 H ATOM 843 N GLU R 98 -10.919 13.338 26.690 1.00 43.93 N ATOM 844 CA GLU R 98 -10.995 14.343 25.621 1.00 44.57 C ATOM 845 C GLU R 98 -10.456 13.780 24.313 1.00 45.62 C ATOM 846 O GLU R 98 -10.935 14.145 23.227 1.00 47.80 O ATOM 847 CB GLU R 98 -10.219 15.609 25.990 1.00 59.58 C ATOM 848 CG GLU R 98 -11.014 16.893 25.814 1.00 74.28 C ATOM 849 CD GLU R 98 -12.303 16.882 26.658 1.00 85.25 C ATOM 850 OE1 GLU R 98 -12.930 15.788 26.768 1.00 85.45 O ATOM 851 OE2 GLU R 98 -12.677 17.958 27.215 1.00 88.11 O ATOM 852 H GLU R 98 -10.311 13.489 27.520 1.00 0.00 H ATOM 853 N LYS R 99 -9.443 12.919 24.404 1.00 37.98 N ATOM 854 CA LYS R 99 -8.877 12.301 23.222 1.00 41.58 C ATOM 855 C LYS R 99 -9.663 11.043 22.791 1.00 43.16 C ATOM 856 O LYS R 99 -9.837 10.789 21.591 1.00 43.83 O ATOM 857 CB LYS R 99 -7.421 11.937 23.478 1.00 39.68 C ATOM 858 CG LYS R 99 -6.536 13.125 23.795 1.00 52.20 C ATOM 859 CD LYS R 99 -5.086 12.680 23.874 1.00 58.02 C ATOM 860 CE LYS R 99 -4.169 13.875 24.067 1.00 63.94 C ATOM 861 NZ LYS R 99 -2.732 13.535 23.809 1.00 67.67 N ATOM 862 HZ1 LYS R 99 -2.431 12.787 24.466 1.00 0.00 H ATOM 863 HZ2 LYS R 99 -2.626 13.201 22.830 1.00 0.00 H ATOM 864 HZ3 LYS R 99 -2.145 14.382 23.953 1.00 0.00 H ATOM 865 H LYS R 99 -9.052 12.687 25.339 1.00 0.00 H ATOM 866 N ALA R 100 -10.118 10.246 23.770 1.00 40.32 N ATOM 867 CA ALA R 100 -10.702 8.929 23.488 1.00 35.88 C ATOM 868 C ALA R 100 -12.206 8.976 23.180 1.00 34.87 C ATOM 869 O ALA R 100 -12.723 8.084 22.502 1.00 35.90 O ATOM 870 CB ALA R 100 -10.448 7.963 24.676 1.00 34.74 C ATOM 871 H ALA R 100 -10.055 10.570 24.756 1.00 0.00 H ATOM 872 N GLY R 101 -12.897 10.002 23.640 1.00 32.41 N ATOM 873 CA GLY R 101 -14.357 10.036 23.628 1.00 38.30 C ATOM 874 C GLY R 101 -15.009 9.625 22.288 1.00 37.77 C ATOM 875 O GLY R 101 -15.748 8.636 22.200 1.00 37.68 O ATOM 876 H GLY R 101 -12.382 10.818 24.026 1.00 0.00 H ATOM 877 N PRO R 102 -14.754 10.407 21.233 1.00 38.44 N ATOM 878 CA PRO R 102 -15.302 10.200 19.876 1.00 31.45 C ATOM 879 C PRO R 102 -15.139 8.768 19.415 1.00 32.25 C ATOM 880 O PRO R 102 -16.123 8.180 18.955 1.00 31.09 O ATOM 881 CB PRO R 102 -14.463 11.144 19.009 1.00 30.14 C ATOM 882 CG PRO R 102 -14.091 12.305 19.980 1.00 32.47 C ATOM 883 CD PRO R 102 -13.838 11.561 21.311 1.00 39.15 C ATOM 884 N LEU R 103 -13.942 8.216 19.546 1.00 31.75 N ATOM 885 CA LEU R 103 -13.682 6.849 19.139 1.00 32.47 C ATOM 886 C LEU R 103 -14.420 5.817 20.003 1.00 30.90 C ATOM 887 O LEU R 103 -14.945 4.833 19.478 1.00 31.91 O ATOM 888 CB LEU R 103 -12.163 6.559 19.016 1.00 32.60 C ATOM 889 CG LEU R 103 -11.823 5.144 18.530 1.00 35.48 C ATOM 890 CD1 LEU R 103 -12.412 4.842 17.061 1.00 28.55 C ATOM 891 CD2 LEU R 103 -10.329 4.843 18.573 1.00 31.93 C ATOM 892 H LEU R 103 -13.167 8.779 19.952 1.00 0.00 H ATOM 893 N GLN R 104 -14.484 6.011 21.327 1.00 29.80 N ATOM 894 CA GLN R 104 -15.358 5.147 22.139 1.00 32.27 C ATOM 895 C GLN R 104 -16.856 5.176 21.751 1.00 32.03 C ATOM 896 O GLN R 104 -17.554 4.142 21.772 1.00 31.36 O ATOM 897 CB GLN R 104 -15.177 5.513 23.638 1.00 33.36 C ATOM 898 CG GLN R 104 -13.820 5.164 24.112 1.00 32.85 C ATOM 899 CD GLN R 104 -13.599 5.606 25.533 1.00 40.76 C ATOM 900 OE1 GLN R 104 -13.891 6.759 25.874 1.00 33.99 O ATOM 901 NE2 GLN R 104 -13.117 4.686 26.379 1.00 37.11 N ATOM 902 HE22 GLN R 104 -12.889 3.732 26.035 1.00 0.00 H ATOM 903 HE21 GLN R 104 -12.971 4.926 27.380 1.00 0.00 H ATOM 904 H GLN R 104 -13.923 6.763 21.776 1.00 0.00 H ATOM 905 N ARG R 105 -17.332 6.342 21.331 1.00 34.39 N ATOM 906 CA ARG R 105 -18.732 6.509 20.969 1.00 30.96 C ATOM 907 C ARG R 105 -18.984 5.782 19.636 1.00 26.40 C ATOM 908 O ARG R 105 -19.975 5.083 19.454 1.00 28.37 O ATOM 909 CB ARG R 105 -19.029 7.965 20.793 1.00 35.38 C ATOM 910 CG ARG R 105 -20.254 8.254 20.019 1.00 37.49 C ATOM 911 CD ARG R 105 -21.486 7.928 20.788 1.00 43.48 C ATOM 912 NE ARG R 105 -22.712 8.100 20.018 1.00 42.57 N ATOM 913 CZ ARG R 105 -23.933 7.884 20.500 1.00 41.81 C ATOM 914 NH1 ARG R 105 -24.121 7.529 21.784 1.00 43.64 N ATOM 915 NH2 ARG R 105 -24.986 8.053 19.728 1.00 37.88 N ATOM 916 HE ARG R 105 -22.627 8.411 19.029 1.00 0.00 H ATOM 917 HH12 ARG R 105 -25.083 7.364 22.142 1.00 0.00 H ATOM 918 HH11 ARG R 105 -23.304 7.419 22.418 1.00 0.00 H ATOM 919 HH22 ARG R 105 -25.940 7.884 20.106 1.00 0.00 H ATOM 920 HH21 ARG R 105 -24.864 8.356 18.741 1.00 0.00 H ATOM 921 H ARG R 105 -16.689 7.156 21.259 1.00 0.00 H ATOM 922 N TYR R 106 -18.061 6.004 18.719 1.00 27.48 N ATOM 923 CA TYR R 106 -18.140 5.340 17.408 1.00 27.90 C ATOM 924 C TYR R 106 -18.068 3.809 17.549 1.00 26.17 C ATOM 925 O TYR R 106 -18.890 3.108 16.962 1.00 28.15 O ATOM 926 CB TYR R 106 -16.997 5.828 16.532 1.00 31.33 C ATOM 927 CG TYR R 106 -17.059 5.236 15.159 1.00 27.45 C ATOM 928 CD1 TYR R 106 -17.951 5.738 14.239 1.00 26.78 C ATOM 929 CD2 TYR R 106 -16.267 4.183 14.804 1.00 27.77 C ATOM 930 CE1 TYR R 106 -18.039 5.190 12.945 1.00 31.22 C ATOM 931 CE2 TYR R 106 -16.341 3.626 13.533 1.00 33.05 C ATOM 932 CZ TYR R 106 -17.230 4.137 12.606 1.00 29.18 C ATOM 933 OH TYR R 106 -17.291 3.610 11.321 1.00 31.99 O ATOM 934 HH TYR R 106 -17.978 4.095 10.799 1.00 0.00 H ATOM 935 H TYR R 106 -17.274 6.652 18.924 1.00 0.00 H ATOM 936 N ALA R 107 -17.061 3.316 18.279 1.00 29.36 N ATOM 937 CA ALA R 107 -16.919 1.910 18.661 1.00 31.37 C ATOM 938 C ALA R 107 -18.241 1.338 19.210 1.00 32.97 C ATOM 939 O ALA R 107 -18.661 0.254 18.788 1.00 28.93 O ATOM 940 CB ALA R 107 -15.776 1.725 19.669 1.00 31.50 C ATOM 941 H ALA R 107 -16.326 3.979 18.598 1.00 0.00 H ATOM 942 N ALA R 108 -18.904 2.052 20.127 1.00 29.60 N ATOM 943 CA ALA R 108 -20.160 1.576 20.690 1.00 29.96 C ATOM 944 C ALA R 108 -21.225 1.496 19.600 1.00 29.97 C ATOM 945 O ALA R 108 -22.123 0.633 19.614 1.00 32.26 O ATOM 946 CB ALA R 108 -20.646 2.511 21.843 1.00 30.09 C ATOM 947 H ALA R 108 -18.515 2.963 20.443 1.00 0.00 H ATOM 948 N THR R 109 -21.168 2.431 18.652 1.00 28.98 N ATOM 949 CA THR R 109 -22.176 2.403 17.584 1.00 27.52 C ATOM 950 C THR R 109 -21.929 1.187 16.676 1.00 26.69 C ATOM 951 O THR R 109 -22.865 0.469 16.382 1.00 26.63 O ATOM 952 CB THR R 109 -22.245 3.738 16.808 1.00 29.17 C ATOM 953 OG1 THR R 109 -22.855 4.745 17.630 1.00 35.42 O ATOM 954 CG2 THR R 109 -23.108 3.593 15.504 1.00 26.81 C ATOM 955 HG1 THR R 109 -22.897 5.598 17.129 1.00 0.00 H ATOM 956 H THR R 109 -20.428 3.162 18.668 1.00 0.00 H ATOM 957 N ILE R 110 -20.681 0.908 16.307 1.00 28.28 N ATOM 958 CA ILE R 110 -20.398 -0.272 15.445 1.00 30.78 C ATOM 959 C ILE R 110 -20.798 -1.562 16.152 1.00 32.32 C ATOM 960 O ILE R 110 -21.358 -2.475 15.540 1.00 27.92 O ATOM 961 CB ILE R 110 -18.911 -0.357 15.069 1.00 29.73 C ATOM 962 CG1 ILE R 110 -18.535 0.814 14.168 1.00 24.60 C ATOM 963 CG2 ILE R 110 -18.556 -1.665 14.391 1.00 24.55 C ATOM 964 CD1 ILE R 110 -19.337 0.892 12.815 1.00 28.93 C ATOM 965 H ILE R 110 -19.900 1.518 16.623 1.00 0.00 H ATOM 966 N GLN R 111 -20.517 -1.638 17.465 1.00 29.66 N ATOM 967 CA GLN R 111 -20.792 -2.839 18.211 1.00 30.96 C ATOM 968 C GLN R 111 -22.292 -3.044 18.249 1.00 30.25 C ATOM 969 O GLN R 111 -22.769 -4.166 18.158 1.00 27.25 O ATOM 970 CB GLN R 111 -20.239 -2.706 19.634 1.00 27.51 C ATOM 971 CG GLN R 111 -18.786 -2.978 19.760 1.00 29.30 C ATOM 972 CD GLN R 111 -18.256 -2.535 21.141 1.00 42.08 C ATOM 973 OE1 GLN R 111 -17.154 -2.881 21.542 1.00 43.86 O ATOM 974 NE2 GLN R 111 -19.067 -1.765 21.868 1.00 50.64 N ATOM 975 HE22 GLN R 111 -19.998 -1.491 21.493 1.00 0.00 H ATOM 976 HE21 GLN R 111 -18.769 -1.439 22.809 1.00 0.00 H ATOM 977 H GLN R 111 -20.096 -0.819 17.948 1.00 0.00 H ATOM 978 N SER R 112 -23.045 -1.969 18.389 1.00 28.38 N ATOM 979 CA SER R 112 -24.478 -2.115 18.460 1.00 29.25 C ATOM 980 C SER R 112 -25.065 -2.557 17.101 1.00 28.49 C ATOM 981 O SER R 112 -25.983 -3.370 17.026 1.00 31.42 O ATOM 982 CB SER R 112 -25.110 -0.802 18.882 1.00 37.30 C ATOM 983 OG SER R 112 -26.513 -0.904 18.792 1.00 45.80 O ATOM 984 HG SER R 112 -26.769 -1.108 17.858 1.00 0.00 H ATOM 985 H SER R 112 -22.609 -1.026 18.448 1.00 0.00 H ATOM 986 N GLN R 113 -24.527 -1.995 16.026 1.00 25.37 N ATOM 987 CA GLN R 113 -24.961 -2.310 14.672 1.00 28.18 C ATOM 988 C GLN R 113 -24.705 -3.778 14.355 1.00 32.36 C ATOM 989 O GLN R 113 -25.458 -4.400 13.575 1.00 35.85 O ATOM 990 CB GLN R 113 -24.190 -1.423 13.657 1.00 26.65 C ATOM 991 CG GLN R 113 -24.738 0.036 13.476 1.00 28.69 C ATOM 992 CD GLN R 113 -23.964 0.892 12.437 1.00 36.46 C ATOM 993 OE1 GLN R 113 -23.073 0.410 11.751 1.00 38.70 O ATOM 994 NE2 GLN R 113 -24.326 2.159 12.334 1.00 35.60 N ATOM 995 HE22 GLN R 113 -25.088 2.532 12.935 1.00 0.00 H ATOM 996 HE21 GLN R 113 -23.849 2.782 11.652 1.00 0.00 H ATOM 997 H GLN R 113 -23.764 -1.301 16.156 1.00 0.00 H ATOM 998 N ARG R 114 -23.638 -4.326 14.916 1.00 25.18 N ATOM 999 CA ARG R 114 -23.226 -5.696 14.680 1.00 26.14 C ATOM 1000 C ARG R 114 -23.802 -6.680 15.682 1.00 25.97 C ATOM 1001 O ARG R 114 -23.802 -7.901 15.464 1.00 23.57 O ATOM 1002 CB ARG R 114 -21.744 -5.838 14.886 1.00 26.78 C ATOM 1003 CG ARG R 114 -20.864 -5.226 13.857 1.00 23.55 C ATOM 1004 CD ARG R 114 -19.415 -5.521 14.249 1.00 25.99 C ATOM 1005 NE ARG R 114 -18.501 -4.758 13.396 1.00 21.16 N ATOM 1006 CZ ARG R 114 -17.185 -4.816 13.472 1.00 23.31 C ATOM 1007 NH1 ARG R 114 -16.587 -5.616 14.356 1.00 27.23 N ATOM 1008 NH2 ARG R 114 -16.448 -4.074 12.626 1.00 23.63 N ATOM 1009 HE ARG R 114 -18.918 -4.127 12.682 1.00 0.00 H ATOM 1010 HH12 ARG R 114 -15.549 -5.652 14.406 1.00 0.00 H ATOM 1011 HH11 ARG R 114 -17.159 -6.204 14.996 1.00 0.00 H ATOM 1012 HH22 ARG R 114 -15.410 -4.109 12.673 1.00 0.00 H ATOM 1013 HH21 ARG R 114 -16.917 -3.466 11.925 1.00 0.00 H ATOM 1014 H ARG R 114 -23.066 -3.743 15.560 1.00 0.00 H ATOM 1015 N GLY R 115 -24.148 -6.168 16.853 1.00 29.09 N ATOM 1016 CA GLY R 115 -24.359 -7.074 17.960 1.00 27.55 C ATOM 1017 C GLY R 115 -23.080 -7.818 18.359 1.00 28.45 C ATOM 1018 O GLY R 115 -23.096 -9.005 18.638 1.00 29.92 O ATOM 1019 H GLY R 115 -24.265 -5.142 16.973 1.00 0.00 H ATOM 1020 N ASP R 116 -21.958 -7.103 18.316 1.00 30.32 N ATOM 1021 CA ASP R 116 -20.641 -7.640 18.553 1.00 26.71 C ATOM 1022 C ASP R 116 -20.174 -7.205 19.960 1.00 27.73 C ATOM 1023 O ASP R 116 -19.705 -6.086 20.127 1.00 28.44 O ATOM 1024 CB ASP R 116 -19.671 -7.055 17.493 1.00 28.14 C ATOM 1025 CG ASP R 116 -18.261 -7.679 17.542 1.00 33.35 C ATOM 1026 OD1 ASP R 116 -18.002 -8.598 18.352 1.00 30.20 O ATOM 1027 OD2 ASP R 116 -17.383 -7.292 16.736 1.00 29.27 O ATOM 1028 H ASP R 116 -22.037 -6.089 18.097 1.00 0.00 H ATOM 1029 N TYR R 117 -20.323 -8.111 20.924 1.00 32.25 N ATOM 1030 CA TYR R 117 -19.969 -7.860 22.331 1.00 38.42 C ATOM 1031 C TYR R 117 -19.266 -9.093 22.887 1.00 43.49 C ATOM 1032 O TYR R 117 -19.700 -9.662 23.880 1.00 57.18 O ATOM 1033 CB TYR R 117 -21.237 -7.591 23.156 1.00 35.01 C ATOM 1034 CG TYR R 117 -22.024 -6.359 22.726 1.00 35.08 C ATOM 1035 CD1 TYR R 117 -23.199 -6.488 21.967 1.00 30.08 C ATOM 1036 CD2 TYR R 117 -21.593 -5.062 23.090 1.00 32.44 C ATOM 1037 CE1 TYR R 117 -23.912 -5.365 21.546 1.00 36.29 C ATOM 1038 CE2 TYR R 117 -22.315 -3.932 22.701 1.00 36.31 C ATOM 1039 CZ TYR R 117 -23.473 -4.102 21.887 1.00 35.72 C ATOM 1040 OH TYR R 117 -24.213 -3.001 21.473 1.00 32.18 O ATOM 1041 HH TYR R 117 -23.636 -2.399 20.939 1.00 0.00 H ATOM 1042 H TYR R 117 -20.709 -9.043 20.671 1.00 0.00 H ATOM 1043 N ASN R 118 -18.158 -9.475 22.296 1.00 34.41 N ATOM 1044 CA ASN R 118 -17.547 -10.719 22.641 1.00 44.39 C ATOM 1045 C ASN R 118 -16.016 -10.594 22.598 1.00 49.06 C ATOM 1046 O ASN R 118 -15.343 -11.380 21.932 1.00 61.16 O ATOM 1047 CB ASN R 118 -18.112 -11.888 21.749 1.00 58.87 C ATOM 1048 CG ASN R 118 -18.035 -11.616 20.183 1.00 58.26 C ATOM 1049 OD1 ASN R 118 -17.072 -12.092 19.541 1.00 70.07 O ATOM 1050 ND2 ASN R 118 -19.058 -10.929 19.562 1.00 37.41 N ATOM 1051 HD22 ASN R 118 -19.844 -10.546 20.125 1.00 0.00 H ATOM 1052 HD21 ASN R 118 -19.043 -10.794 18.531 1.00 0.00 H ATOM 1053 H ASN R 118 -17.722 -8.868 21.572 1.00 0.00 H ATOM 1054 N GLY R 119 -15.463 -9.644 23.356 1.00 35.93 N ATOM 1055 CA GLY R 119 -14.025 -9.452 23.452 1.00 28.68 C ATOM 1056 C GLY R 119 -13.664 -7.972 23.421 1.00 29.38 C ATOM 1057 O GLY R 119 -14.537 -7.132 23.243 1.00 29.68 O ATOM 1058 H GLY R 119 -16.087 -9.015 23.901 1.00 0.00 H ATOM 1059 N LYS R 120 -12.377 -7.680 23.615 1.00 27.83 N ATOM 1060 CA LYS R 120 -11.868 -6.315 23.715 1.00 30.93 C ATOM 1061 C LYS R 120 -11.202 -5.824 22.460 1.00 34.59 C ATOM 1062 O LYS R 120 -10.622 -4.762 22.463 1.00 30.07 O ATOM 1063 CB LYS R 120 -10.819 -6.230 24.852 1.00 34.02 C ATOM 1064 CG LYS R 120 -9.506 -6.896 24.509 1.00 39.67 C ATOM 1065 CD LYS R 120 -8.452 -6.759 25.581 1.00 53.15 C ATOM 1066 CE LYS R 120 -7.081 -7.171 25.024 1.00 61.32 C ATOM 1067 NZ LYS R 120 -6.018 -7.249 26.124 1.00 66.57 N ATOM 1068 HZ1 LYS R 120 -5.920 -6.318 26.576 1.00 0.00 H ATOM 1069 HZ2 LYS R 120 -6.307 -7.952 26.834 1.00 0.00 H ATOM 1070 HZ3 LYS R 120 -5.108 -7.530 25.706 1.00 0.00 H ATOM 1071 H LYS R 120 -11.701 -8.466 23.699 1.00 0.00 H ATOM 1072 N VAL R 121 -11.272 -6.588 21.363 1.00 26.49 N ATOM 1073 CA VAL R 121 -10.674 -6.129 20.112 1.00 26.92 C ATOM 1074 C VAL R 121 -11.833 -5.740 19.165 1.00 27.89 C ATOM 1075 O VAL R 121 -12.809 -6.485 19.060 1.00 26.21 O ATOM 1076 CB VAL R 121 -9.818 -7.241 19.499 1.00 35.46 C ATOM 1077 CG1 VAL R 121 -9.182 -6.809 18.124 1.00 28.66 C ATOM 1078 CG2 VAL R 121 -8.722 -7.624 20.521 1.00 39.89 C ATOM 1079 H VAL R 121 -11.753 -7.509 21.402 1.00 0.00 H ATOM 1080 N LEU R 122 -11.724 -4.587 18.514 1.00 24.76 N ATOM 1081 CA LEU R 122 -12.672 -4.197 17.481 1.00 25.74 C ATOM 1082 C LEU R 122 -11.872 -3.801 16.267 1.00 24.36 C ATOM 1083 O LEU R 122 -11.089 -2.863 16.307 1.00 27.76 O ATOM 1084 CB LEU R 122 -13.574 -3.049 17.913 1.00 30.93 C ATOM 1085 CG LEU R 122 -14.523 -2.451 16.868 1.00 35.76 C ATOM 1086 CD1 LEU R 122 -15.445 -3.532 16.368 1.00 35.12 C ATOM 1087 CD2 LEU R 122 -15.350 -1.232 17.444 1.00 37.57 C ATOM 1088 H LEU R 122 -10.940 -3.946 18.749 1.00 0.00 H ATOM 1089 N SER R 123 -12.053 -4.532 15.162 1.00 22.30 N ATOM 1090 CA SER R 123 -11.429 -4.153 13.900 1.00 21.08 C ATOM 1091 C SER R 123 -12.481 -3.404 13.083 1.00 26.61 C ATOM 1092 O SER R 123 -13.655 -3.810 13.068 1.00 23.94 O ATOM 1093 CB SER R 123 -11.016 -5.421 13.187 1.00 23.13 C ATOM 1094 OG SER R 123 -10.024 -6.122 13.914 1.00 23.70 O ATOM 1095 HG SER R 123 -9.776 -6.945 13.422 1.00 0.00 H ATOM 1096 H SER R 123 -12.648 -5.384 15.203 1.00 0.00 H ATOM 1097 N ILE R 124 -12.092 -2.317 12.446 1.00 22.66 N ATOM 1098 CA ILE R 124 -13.056 -1.594 11.605 1.00 21.53 C ATOM 1099 C ILE R 124 -12.517 -1.386 10.217 1.00 20.57 C ATOM 1100 O ILE R 124 -11.335 -1.639 9.924 1.00 25.79 O ATOM 1101 CB ILE R 124 -13.474 -0.264 12.242 1.00 24.99 C ATOM 1102 CG1 ILE R 124 -12.268 0.656 12.438 1.00 26.33 C ATOM 1103 CG2 ILE R 124 -14.160 -0.518 13.588 1.00 25.73 C ATOM 1104 CD1 ILE R 124 -12.701 2.060 12.937 1.00 29.55 C ATOM 1105 H ILE R 124 -11.114 -1.975 12.538 1.00 0.00 H ATOM 1106 N ARG R 125 -13.408 -0.974 9.307 1.00 24.69 N ATOM 1107 CA ARG R 125 -13.050 -0.845 7.897 1.00 22.22 C ATOM 1108 C ARG R 125 -12.030 0.253 7.719 1.00 25.52 C ATOM 1109 O ARG R 125 -11.999 1.213 8.496 1.00 29.15 O ATOM 1110 CB ARG R 125 -14.296 -0.516 7.060 1.00 23.37 C ATOM 1111 CG ARG R 125 -15.382 -1.610 7.144 1.00 22.15 C ATOM 1112 CD ARG R 125 -16.668 -1.275 6.358 1.00 23.32 C ATOM 1113 NE ARG R 125 -17.591 -2.377 6.538 1.00 25.50 N ATOM 1114 CZ ARG R 125 -18.747 -2.509 5.893 1.00 28.42 C ATOM 1115 NH1 ARG R 125 -19.159 -1.572 5.032 1.00 27.49 N ATOM 1116 NH2 ARG R 125 -19.486 -3.573 6.108 1.00 25.80 N ATOM 1117 HE ARG R 125 -17.331 -3.118 7.220 1.00 0.00 H ATOM 1118 HH12 ARG R 125 -20.065 -1.686 4.533 1.00 0.00 H ATOM 1119 HH11 ARG R 125 -18.574 -0.729 4.861 1.00 0.00 H ATOM 1120 HH22 ARG R 125 -20.392 -3.687 5.609 1.00 0.00 H ATOM 1121 HH21 ARG R 125 -19.166 -4.302 6.777 1.00 0.00 H ATOM 1122 H ARG R 125 -14.375 -0.741 9.610 1.00 0.00 H ATOM 1123 N GLN R 126 -11.186 0.092 6.707 1.00 25.91 N ATOM 1124 CA GLN R 126 -10.166 1.068 6.386 1.00 29.49 C ATOM 1125 C GLN R 126 -10.877 2.376 6.025 1.00 25.38 C ATOM 1126 O GLN R 126 -10.465 3.461 6.457 1.00 29.14 O ATOM 1127 CB GLN R 126 -9.315 0.574 5.214 1.00 44.98 C ATOM 1128 CG GLN R 126 -8.049 1.395 5.032 1.00 55.63 C ATOM 1129 CD GLN R 126 -7.299 1.573 6.347 1.00 58.22 C ATOM 1130 OE1 GLN R 126 -7.093 2.707 6.808 1.00 61.68 O ATOM 1131 NE2 GLN R 126 -6.917 0.463 6.975 1.00 52.91 N ATOM 1132 HE22 GLN R 126 -7.111 -0.467 6.551 1.00 0.00 H ATOM 1133 HE21 GLN R 126 -6.425 0.526 7.889 1.00 0.00 H ATOM 1134 H GLN R 126 -11.260 -0.766 6.124 1.00 0.00 H ATOM 1135 N ASP R 127 -12.016 2.275 5.339 1.00 25.64 N ATOM 1136 CA ASP R 127 -12.746 3.480 4.932 1.00 28.20 C ATOM 1137 C ASP R 127 -13.287 4.233 6.182 1.00 29.70 C ATOM 1138 O ASP R 127 -13.580 5.440 6.139 1.00 27.21 O ATOM 1139 CB ASP R 127 -13.936 3.114 4.029 1.00 40.67 C ATOM 1140 CG ASP R 127 -13.640 1.929 3.082 1.00 53.56 C ATOM 1141 OD1 ASP R 127 -13.586 2.183 1.851 1.00 47.07 O ATOM 1142 OD2 ASP R 127 -13.457 0.762 3.571 1.00 49.88 O ATOM 1143 H ASP R 127 -12.389 1.336 5.091 1.00 0.00 H ATOM 1144 N ASP R 128 -13.425 3.528 7.299 1.00 23.90 N ATOM 1145 CA ASP R 128 -13.909 4.192 8.492 1.00 28.67 C ATOM 1146 C ASP R 128 -12.932 5.217 9.012 1.00 25.65 C ATOM 1147 O ASP R 128 -13.319 6.054 9.824 1.00 22.72 O ATOM 1148 CB ASP R 128 -14.250 3.204 9.617 1.00 23.97 C ATOM 1149 CG ASP R 128 -15.471 2.315 9.281 1.00 29.72 C ATOM 1150 OD1 ASP R 128 -16.191 2.658 8.303 1.00 26.40 O ATOM 1151 OD2 ASP R 128 -15.738 1.312 10.002 1.00 36.38 O ATOM 1152 H ASP R 128 -13.189 2.515 7.317 1.00 0.00 H ATOM 1153 N LEU R 129 -11.677 5.158 8.577 1.00 21.02 N ATOM 1154 CA LEU R 129 -10.731 6.168 9.047 1.00 26.25 C ATOM 1155 C LEU R 129 -11.183 7.550 8.588 1.00 28.41 C ATOM 1156 O LEU R 129 -10.971 8.534 9.279 1.00 25.98 O ATOM 1157 CB LEU R 129 -9.328 5.840 8.592 1.00 26.71 C ATOM 1158 CG LEU R 129 -8.232 6.768 9.052 1.00 32.85 C ATOM 1159 CD1 LEU R 129 -8.137 6.738 10.605 1.00 30.94 C ATOM 1160 CD2 LEU R 129 -6.936 6.377 8.381 1.00 34.09 C ATOM 1161 H LEU R 129 -11.376 4.411 7.918 1.00 0.00 H ATOM 1162 N ARG R 130 -11.834 7.631 7.424 1.00 27.01 N ATOM 1163 CA ARG R 130 -12.377 8.923 6.965 1.00 25.87 C ATOM 1164 C ARG R 130 -13.441 9.473 7.915 1.00 25.01 C ATOM 1165 O ARG R 130 -13.505 10.672 8.185 1.00 21.96 O ATOM 1166 CB ARG R 130 -12.968 8.799 5.535 1.00 28.26 C ATOM 1167 CG ARG R 130 -13.865 10.026 5.049 1.00 25.15 C ATOM 1168 CD ARG R 130 -14.833 9.594 3.887 1.00 26.08 C ATOM 1169 NE ARG R 130 -14.106 9.241 2.678 1.00 39.25 N ATOM 1170 CZ ARG R 130 -14.140 8.052 2.100 1.00 41.19 C ATOM 1171 HE ARG R 130 -13.517 9.976 2.236 1.00 0.00 H ATOM 1172 H ARG R 130 -11.958 6.780 6.840 1.00 0.00 H ATOM 1173 N THR R 131 -14.308 8.601 8.388 1.00 21.41 N ATOM 1174 CA THR R 131 -15.384 8.992 9.284 1.00 24.63 C ATOM 1175 C THR R 131 -14.765 9.535 10.541 1.00 21.38 C ATOM 1176 O THR R 131 -15.106 10.603 11.034 1.00 24.91 O ATOM 1177 CB THR R 131 -16.192 7.731 9.625 1.00 28.68 C ATOM 1178 OG1 THR R 131 -16.622 7.142 8.393 1.00 29.81 O ATOM 1179 CG2 THR R 131 -17.367 8.042 10.523 1.00 27.27 C ATOM 1180 HG1 THR R 131 -15.830 6.907 7.847 1.00 0.00 H ATOM 1181 H THR R 131 -14.220 7.602 8.112 1.00 0.00 H ATOM 1182 N LEU R 132 -13.785 8.807 11.052 1.00 21.84 N ATOM 1183 CA LEU R 132 -13.169 9.255 12.306 1.00 21.89 C ATOM 1184 C LEU R 132 -12.407 10.556 12.123 1.00 21.44 C ATOM 1185 O LEU R 132 -12.407 11.429 12.989 1.00 25.71 O ATOM 1186 CB LEU R 132 -12.221 8.166 12.802 1.00 22.41 C ATOM 1187 CG LEU R 132 -12.959 6.917 13.297 1.00 26.53 C ATOM 1188 CD1 LEU R 132 -11.947 5.805 13.470 1.00 32.11 C ATOM 1189 CD2 LEU R 132 -13.685 7.233 14.601 1.00 32.08 C ATOM 1190 H LEU R 132 -13.460 7.941 10.577 1.00 0.00 H ATOM 1191 N ALA R 133 -11.740 10.679 10.994 1.00 22.09 N ATOM 1192 CA ALA R 133 -11.061 11.935 10.632 1.00 27.99 C ATOM 1193 C ALA R 133 -12.040 13.124 10.651 1.00 25.26 C ATOM 1194 O ALA R 133 -11.757 14.192 11.162 1.00 28.39 O ATOM 1195 CB ALA R 133 -10.444 11.825 9.259 1.00 27.17 C ATOM 1196 H ALA R 133 -11.692 9.870 10.342 1.00 0.00 H ATOM 1197 N VAL R 134 -13.215 12.906 10.122 1.00 23.12 N ATOM 1198 CA VAL R 134 -14.231 13.942 10.171 1.00 20.21 C ATOM 1199 C VAL R 134 -14.783 14.245 11.550 1.00 22.53 C ATOM 1200 O VAL R 134 -14.940 15.405 11.915 1.00 28.01 O ATOM 1201 CB VAL R 134 -15.371 13.572 9.213 1.00 23.98 C ATOM 1202 CG1 VAL R 134 -16.552 14.479 9.477 1.00 25.88 C ATOM 1203 CG2 VAL R 134 -14.852 13.709 7.746 1.00 23.98 C ATOM 1204 H VAL R 134 -13.422 11.994 9.668 1.00 0.00 H ATOM 1205 N ILE R 135 -15.078 13.220 12.332 1.00 26.26 N ATOM 1206 CA ILE R 135 -15.539 13.396 13.710 1.00 27.39 C ATOM 1207 C ILE R 135 -14.525 14.134 14.607 1.00 29.85 C ATOM 1208 O ILE R 135 -14.898 14.968 15.450 1.00 31.30 O ATOM 1209 CB ILE R 135 -15.806 12.012 14.311 1.00 28.12 C ATOM 1210 CG1 ILE R 135 -17.040 11.408 13.625 1.00 25.11 C ATOM 1211 CG2 ILE R 135 -16.003 12.124 15.839 1.00 33.16 C ATOM 1212 CD1 ILE R 135 -17.271 9.946 13.900 1.00 26.75 C ATOM 1213 H ILE R 135 -14.979 12.256 11.955 1.00 0.00 H ATOM 1214 N TYR R 136 -13.248 13.806 14.442 1.00 24.40 N ATOM 1215 CA TYR R 136 -12.175 14.473 15.191 1.00 25.86 C ATOM 1216 C TYR R 136 -11.700 15.787 14.568 1.00 28.43 C ATOM 1217 O TYR R 136 -10.987 16.571 15.207 1.00 28.71 O ATOM 1218 CB TYR R 136 -10.974 13.543 15.284 1.00 23.28 C ATOM 1219 CG TYR R 136 -11.057 12.565 16.418 1.00 26.71 C ATOM 1220 CD1 TYR R 136 -11.492 11.265 16.214 1.00 25.39 C ATOM 1221 CD2 TYR R 136 -10.708 12.946 17.717 1.00 30.12 C ATOM 1222 CE1 TYR R 136 -11.572 10.345 17.263 1.00 30.58 C ATOM 1223 CE2 TYR R 136 -10.796 12.022 18.792 1.00 31.40 C ATOM 1224 CZ TYR R 136 -11.223 10.739 18.555 1.00 33.51 C ATOM 1225 OH TYR R 136 -11.320 9.817 19.600 1.00 30.58 O ATOM 1226 HH TYR R 136 -10.429 9.695 20.014 1.00 0.00 H ATOM 1227 H TYR R 136 -13.002 13.057 13.764 1.00 0.00 H ATOM 1228 N ASP R 137 -12.101 16.029 13.326 1.00 24.12 N ATOM 1229 CA ASP R 137 -11.529 17.095 12.505 1.00 31.35 C ATOM 1230 C ASP R 137 -10.008 17.090 12.618 1.00 36.69 C ATOM 1231 O ASP R 137 -9.375 18.072 13.053 1.00 35.47 O ATOM 1232 CB ASP R 137 -12.079 18.465 12.879 1.00 41.50 C ATOM 1233 CG ASP R 137 -11.663 19.537 11.881 1.00 42.31 C ATOM 1234 OD1 ASP R 137 -11.152 19.182 10.784 1.00 47.71 O ATOM 1235 OD2 ASP R 137 -11.848 20.722 12.182 1.00 44.58 O ATOM 1236 H ASP R 137 -12.853 15.436 12.920 1.00 0.00 H ATOM 1237 N GLN R 138 -9.444 15.945 12.266 1.00 28.61 N ATOM 1238 CA GLN R 138 -8.021 15.752 12.238 1.00 35.10 C ATOM 1239 C GLN R 138 -7.761 14.970 10.973 1.00 30.93 C ATOM 1240 O GLN R 138 -8.672 14.312 10.462 1.00 31.86 O ATOM 1241 CB GLN R 138 -7.576 14.958 13.468 1.00 41.59 C ATOM 1242 CG GLN R 138 -6.094 14.872 13.633 1.00 55.07 C ATOM 1243 CD GLN R 138 -5.448 16.249 13.744 1.00 61.01 C ATOM 1244 OE1 GLN R 138 -4.750 16.696 12.825 1.00 57.94 O ATOM 1245 NE2 GLN R 138 -5.698 16.937 14.869 1.00 60.75 N ATOM 1246 HE22 GLN R 138 -6.291 16.518 15.614 1.00 0.00 H ATOM 1247 HE21 GLN R 138 -5.299 17.889 14.996 1.00 0.00 H ATOM 1248 H GLN R 138 -10.059 15.150 11.998 1.00 0.00 H ATOM 1249 N SER R 139 -6.542 15.015 10.447 1.00 30.47 N ATOM 1250 CA SER R 139 -6.243 14.231 9.279 1.00 33.71 C ATOM 1251 C SER R 139 -6.160 12.758 9.635 1.00 28.96 C ATOM 1252 O SER R 139 -5.800 12.403 10.772 1.00 31.61 O ATOM 1253 CB SER R 139 -4.913 14.661 8.690 1.00 39.48 C ATOM 1254 OG SER R 139 -3.861 13.991 9.360 1.00 37.91 O ATOM 1255 HG SER R 139 -3.971 13.013 9.249 1.00 0.00 H ATOM 1256 H SER R 139 -5.808 15.614 10.877 1.00 0.00 H ATOM 1257 N PRO R 140 -6.477 11.887 8.667 1.00 34.22 N ATOM 1258 CA PRO R 140 -6.452 10.440 8.894 1.00 34.38 C ATOM 1259 C PRO R 140 -5.087 9.995 9.350 1.00 36.25 C ATOM 1260 O PRO R 140 -5.001 9.186 10.268 1.00 33.33 O ATOM 1261 CB PRO R 140 -6.734 9.863 7.523 1.00 37.22 C ATOM 1262 CG PRO R 140 -7.473 10.911 6.823 1.00 36.93 C ATOM 1263 CD PRO R 140 -6.996 12.214 7.330 1.00 36.51 C ATOM 1264 N SER R 141 -4.039 10.505 8.694 1.00 33.86 N ATOM 1265 CA SER R 141 -2.666 10.142 9.026 1.00 33.65 C ATOM 1266 C SER R 141 -2.391 10.514 10.474 1.00 30.74 C ATOM 1267 O SER R 141 -1.794 9.742 11.209 1.00 29.43 O ATOM 1268 CB SER R 141 -1.644 10.850 8.104 1.00 39.88 C ATOM 1269 OG SER R 141 -1.735 10.388 6.741 1.00 42.63 O ATOM 1270 HG SER R 141 -2.644 10.569 6.392 1.00 0.00 H ATOM 1271 H SER R 141 -4.208 11.182 7.923 1.00 0.00 H ATOM 1272 N VAL R 142 -2.796 11.705 10.879 1.00 30.65 N ATOM 1273 CA VAL R 142 -2.517 12.163 12.238 1.00 32.19 C ATOM 1274 C VAL R 142 -3.262 11.285 13.219 1.00 33.77 C ATOM 1275 O VAL R 142 -2.701 10.856 14.231 1.00 34.84 O ATOM 1276 CB VAL R 142 -2.869 13.648 12.471 1.00 35.27 C ATOM 1277 CG1 VAL R 142 -2.928 14.000 13.990 1.00 32.92 C ATOM 1278 CG2 VAL R 142 -1.838 14.541 11.752 1.00 38.19 C ATOM 1279 H VAL R 142 -3.318 12.322 10.224 1.00 0.00 H ATOM 1280 N LEU R 143 -4.494 10.952 12.878 1.00 31.96 N ATOM 1281 CA LEU R 143 -5.317 10.130 13.783 1.00 36.83 C ATOM 1282 C LEU R 143 -4.669 8.751 13.990 1.00 33.59 C ATOM 1283 O LEU R 143 -4.542 8.287 15.126 1.00 33.90 O ATOM 1284 CB LEU R 143 -6.760 10.053 13.228 1.00 33.68 C ATOM 1285 CG LEU R 143 -7.918 9.942 14.232 1.00 46.10 C ATOM 1286 CD1 LEU R 143 -7.990 11.097 15.221 1.00 43.18 C ATOM 1287 CD2 LEU R 143 -9.246 9.832 13.504 1.00 46.65 C ATOM 1288 H LEU R 143 -4.884 11.271 11.968 1.00 0.00 H ATOM 1289 N THR R 144 -4.267 8.104 12.894 1.00 32.34 N ATOM 1290 CA THR R 144 -3.609 6.799 12.900 1.00 38.16 C ATOM 1291 C THR R 144 -2.340 6.813 13.769 1.00 41.55 C ATOM 1292 O THR R 144 -2.067 5.879 14.544 1.00 41.67 O ATOM 1293 CB THR R 144 -3.198 6.373 11.463 1.00 43.54 C ATOM 1294 OG1 THR R 144 -4.353 6.345 10.619 1.00 46.67 O ATOM 1295 CG2 THR R 144 -2.613 4.988 11.452 1.00 43.64 C ATOM 1296 HG1 THR R 144 -4.086 6.073 9.705 1.00 0.00 H ATOM 1297 H THR R 144 -4.433 8.559 11.974 1.00 0.00 H ATOM 1298 N GLU R 145 -1.560 7.873 13.633 1.00 36.34 N ATOM 1299 CA GLU R 145 -0.311 7.963 14.375 1.00 40.77 C ATOM 1300 C GLU R 145 -0.550 8.108 15.856 1.00 43.65 C ATOM 1301 O GLU R 145 0.159 7.503 16.684 1.00 39.48 O ATOM 1302 CB GLU R 145 0.534 9.123 13.862 1.00 37.55 C ATOM 1303 CG GLU R 145 1.781 9.362 14.681 1.00 45.16 C ATOM 1304 CD GLU R 145 2.396 10.689 14.347 1.00 53.33 C ATOM 1305 OE1 GLU R 145 3.469 10.670 13.708 1.00 53.28 O ATOM 1306 OE2 GLU R 145 1.773 11.744 14.681 1.00 51.86 O ATOM 1307 H GLU R 145 -1.840 8.644 12.994 1.00 0.00 H ATOM 1308 N GLN R 146 -1.534 8.898 16.234 1.00 35.97 N ATOM 1309 CA GLN R 146 -1.735 9.039 17.638 1.00 38.16 C ATOM 1310 C GLN R 146 -2.343 7.739 18.197 1.00 42.66 C ATOM 1311 O GLN R 146 -1.902 7.266 19.231 1.00 42.14 O ATOM 1312 CB GLN R 146 -2.483 10.329 17.972 1.00 45.18 C ATOM 1313 CG GLN R 146 -3.918 10.424 17.625 1.00 52.40 C ATOM 1314 CD GLN R 146 -4.479 11.818 17.963 1.00 62.50 C ATOM 1315 OE1 GLN R 146 -3.719 12.775 18.149 1.00 65.08 O ATOM 1316 NE2 GLN R 146 -5.814 11.929 18.046 1.00 62.61 N ATOM 1317 HE22 GLN R 146 -6.416 11.097 17.882 1.00 0.00 H ATOM 1318 HE21 GLN R 146 -6.246 12.847 18.275 1.00 0.00 H ATOM 1319 H GLN R 146 -2.133 9.393 15.543 1.00 0.00 H ATOM 1320 N LEU R 147 -3.276 7.115 17.470 1.00 37.36 N ATOM 1321 CA LEU R 147 -3.932 5.919 17.973 1.00 42.42 C ATOM 1322 C LEU R 147 -2.876 4.906 18.327 1.00 43.85 C ATOM 1323 O LEU R 147 -2.974 4.241 19.368 1.00 50.45 O ATOM 1324 CB LEU R 147 -4.902 5.321 16.944 1.00 37.21 C ATOM 1325 CG LEU R 147 -6.351 5.784 17.010 1.00 36.16 C ATOM 1326 CD1 LEU R 147 -7.130 5.182 15.817 1.00 38.98 C ATOM 1327 CD2 LEU R 147 -6.981 5.379 18.314 1.00 44.23 C ATOM 1328 H LEU R 147 -3.535 7.489 16.535 1.00 0.00 H ATOM 1329 N ILE R 148 -1.868 4.826 17.466 1.00 38.91 N ATOM 1330 CA ILE R 148 -0.755 3.930 17.629 1.00 45.36 C ATOM 1331 C ILE R 148 0.073 4.313 18.859 1.00 52.59 C ATOM 1332 O ILE R 148 0.631 3.440 19.537 1.00 55.92 O ATOM 1333 CB ILE R 148 0.177 3.967 16.441 1.00 40.61 C ATOM 1334 CG1 ILE R 148 -0.546 3.465 15.176 1.00 41.40 C ATOM 1335 CG2 ILE R 148 1.410 3.113 16.734 1.00 45.30 C ATOM 1336 CD1 ILE R 148 0.309 3.313 13.933 1.00 40.01 C ATOM 1337 H ILE R 148 -1.884 5.444 16.630 1.00 0.00 H ATOM 1338 N SER R 149 0.195 5.608 19.130 1.00 52.95 N ATOM 1339 CA SER R 149 0.913 6.043 20.339 1.00 54.82 C ATOM 1340 C SER R 149 0.192 5.689 21.604 1.00 56.18 C ATOM 1341 O SER R 149 0.807 5.316 22.597 1.00 63.81 O ATOM 1342 CB SER R 149 1.159 7.549 20.298 1.00 64.23 C ATOM 1343 OG SER R 149 2.213 7.835 19.397 1.00 69.83 O ATOM 1344 HG SER R 149 1.968 7.517 18.492 1.00 0.00 H ATOM 1345 H SER R 149 -0.217 6.315 18.488 1.00 0.00 H ATOM 1346 N TRP R 150 -1.116 5.840 21.604 1.00 54.74 N ATOM 1347 CA TRP R 150 -1.900 5.442 22.740 1.00 51.95 C ATOM 1348 C TRP R 150 -1.877 3.912 22.885 1.00 54.14 C ATOM 1349 O TRP R 150 -2.530 3.387 23.761 1.00 59.19 O ATOM 1350 CB TRP R 150 -3.333 5.927 22.569 1.00 57.29 C ATOM 1351 CG TRP R 150 -3.454 7.401 22.369 1.00 61.53 C ATOM 1352 CD1 TRP R 150 -2.515 8.347 22.664 1.00 63.18 C ATOM 1353 CD2 TRP R 150 -4.588 8.109 21.827 1.00 60.37 C ATOM 1354 NE1 TRP R 150 -2.997 9.596 22.341 1.00 61.14 N ATOM 1355 CE2 TRP R 150 -4.269 9.475 21.835 1.00 59.64 C ATOM 1356 CE3 TRP R 150 -5.842 7.716 21.343 1.00 63.63 C ATOM 1357 CZ2 TRP R 150 -5.154 10.452 21.353 1.00 63.10 C ATOM 1358 CZ3 TRP R 150 -6.728 8.698 20.876 1.00 63.92 C ATOM 1359 CH2 TRP R 150 -6.378 10.039 20.887 1.00 60.58 C ATOM 1360 HE1 TRP R 150 -2.480 10.490 22.461 1.00 0.00 H ATOM 1361 H TRP R 150 -1.586 6.252 20.773 1.00 0.00 H ATOM 1362 N GLY R 151 -1.160 3.202 22.018 1.00 52.34 N ATOM 1363 CA GLY R 151 -1.160 1.746 22.059 1.00 50.90 C ATOM 1364 C GLY R 151 -2.468 1.073 21.627 1.00 51.74 C ATOM 1365 O GLY R 151 -2.575 -0.166 21.669 1.00 51.37 O ATOM 1366 H GLY R 151 -0.591 3.694 21.300 1.00 0.00 H ATOM 1367 N VAL R 152 -3.452 1.874 21.198 1.00 48.25 N ATOM 1368 CA VAL R 152 -4.778 1.370 20.797 1.00 43.66 C ATOM 1369 C VAL R 152 -4.753 0.586 19.490 1.00 42.33 C ATOM 1370 O VAL R 152 -5.548 -0.323 19.305 1.00 37.72 O ATOM 1371 CB VAL R 152 -5.796 2.514 20.650 1.00 41.53 C ATOM 1372 CG1 VAL R 152 -7.138 1.993 20.168 1.00 37.22 C ATOM 1373 CG2 VAL R 152 -5.962 3.252 21.980 1.00 40.88 C ATOM 1374 H VAL R 152 -3.273 2.897 21.145 1.00 0.00 H ATOM 1375 N LEU R 153 -3.812 0.930 18.622 1.00 42.50 N ATOM 1376 CA LEU R 153 -3.694 0.388 17.287 1.00 45.17 C ATOM 1377 C LEU R 153 -2.319 -0.253 17.102 1.00 50.80 C ATOM 1378 O LEU R 153 -1.327 0.210 17.685 1.00 51.95 O ATOM 1379 CB LEU R 153 -3.888 1.545 16.297 1.00 35.60 C ATOM 1380 CG LEU R 153 -3.966 1.254 14.807 1.00 43.11 C ATOM 1381 CD1 LEU R 153 -5.189 0.384 14.566 1.00 42.57 C ATOM 1382 CD2 LEU R 153 -4.037 2.568 13.996 1.00 39.28 C ATOM 1383 H LEU R 153 -3.111 1.638 18.922 1.00 0.00 H ATOM 1384 N ASP R 154 -2.267 -1.278 16.251 1.00 63.89 N ATOM 1385 CA ASP R 154 -1.053 -2.056 15.930 1.00 69.89 C ATOM 1386 C ASP R 154 -0.233 -1.368 14.827 1.00 67.91 C ATOM 1387 O ASP R 154 -0.779 -0.963 13.785 1.00 65.81 O ATOM 1388 CB ASP R 154 -1.391 -3.455 15.362 1.00 76.29 C ATOM 1389 CG ASP R 154 -2.729 -4.032 15.865 1.00 77.29 C ATOM 1390 OD1 ASP R 154 -2.895 -5.300 15.816 1.00 74.12 O ATOM 1391 OD2 ASP R 154 -3.614 -3.231 16.285 1.00 76.79 O ATOM 1392 H ASP R 154 -3.151 -1.551 15.776 1.00 0.00 H ATOM 1393 N ALA R 155 1.081 -1.306 15.018 1.00 67.29 N ATOM 1394 CA ALA R 155 1.963 -0.654 14.060 1.00 69.60 C ATOM 1395 C ALA R 155 1.592 -1.080 12.645 1.00 71.10 C ATOM 1396 O ALA R 155 2.426 -1.080 11.746 1.00 74.36 O ATOM 1397 CB ALA R 155 3.427 -1.003 14.369 1.00 70.58 C ATOM 1398 H ALA R 155 1.490 -1.734 15.873 1.00 0.00 H TER 1399 ALA R 155 HETATM 1400 O HOH 1 -11.467 4.666 29.541 1.00 36.78 O HETATM 1401 O HOH 2 -13.372 11.639 31.322 1.00 55.12 O HETATM 1402 O HOH 3 -15.246 0.547 2.503 1.00 49.89 O HETATM 1403 O HOH 4 -15.151 -12.860 19.085 1.00 41.45 O HETATM 1404 O HOH 5 -5.291 2.856 8.205 1.00 58.60 O HETATM 1405 O HOH 6 -18.134 0.000 23.043 1.00 32.31 O HETATM 1406 O HOH 7 -13.864 -17.536 14.312 1.00 40.46 O HETATM 1407 O HOH 8 -2.892 -3.100 12.713 1.00 47.22 O HETATM 1408 O HOH 9 -17.292 2.336 23.729 1.00 30.71 O HETATM 1409 O HOH 10 -8.913 -1.666 8.776 1.00 33.21 O HETATM 1410 O HOH 11 -8.417 -8.082 12.790 1.00 33.94 O HETATM 1411 O HOH 12 -8.489 -3.312 6.403 1.00 29.38 O HETATM 1412 O HOH 13 -14.143 -2.119 2.808 1.00 31.40 O HETATM 1413 O HOH 14 -16.783 3.315 5.736 1.00 43.28 O HETATM 1414 O HOH 15 -9.119 14.448 28.401 1.00 51.96 O HETATM 1415 O HOH 16 -21.594 -1.881 3.832 1.00 39.30 O HETATM 1416 O HOH 17 -4.824 -4.574 26.417 1.00 43.07 O HETATM 1417 O HOH 18 -16.941 -14.258 17.867 1.00 40.55 O HETATM 1418 O HOH 19 -22.662 -0.692 21.959 1.00 30.85 O HETATM 1419 O HOH 20 -21.839 2.116 9.985 1.00 47.37 O HETATM 1420 O HOH 21 -26.394 -7.003 13.421 1.00 34.97 O HETATM 1421 O HOH 22 -17.031 -6.132 23.935 1.00 39.22 O HETATM 1422 O HOH 23 -6.463 -8.336 7.117 1.00 56.21 O HETATM 1423 O HOH 24 -20.721 -1.023 23.979 1.00 41.53 O HETATM 1424 O HOH 25 -15.783 3.797 1.272 1.00 40.32 O HETATM 1425 O HOH 26 -9.731 16.747 17.730 1.00 44.73 O HETATM 1426 O HOH 27 -16.994 -3.258 24.361 1.00 34.35 O HETATM 1427 O HOH 28 -18.124 9.654 17.558 1.00 41.87 O HETATM 1428 O HOH 29 -26.612 3.034 13.799 1.00 53.61 O HETATM 1429 O HOH 30 -13.319 -8.909 20.476 1.00 33.54 O HETATM 1430 O HOH 31 -12.832 1.886 25.324 1.00 38.60 O HETATM 1431 O HOH 32 -13.610 -5.314 0.235 1.00 34.00 O HETATM 1432 O HOH 33 -3.721 -7.607 14.294 1.00 52.88 O HETATM 1433 O HOH 34 -3.535 5.027 8.176 1.00 52.50 O HETATM 1434 O HOH 35 -3.591 12.518 6.042 1.00 38.90 O HETATM 1435 O HOH 36 -18.010 -15.639 15.778 1.00 34.17 O HETATM 1436 O HOH 37 -21.912 -10.763 20.676 1.00 32.99 O HETATM 1437 O HOH 38 -10.944 20.484 8.152 1.00 47.95 O HETATM 1438 O HOH 39 -13.199 -13.073 20.772 1.00 40.33 O HETATM 1439 O HOH 40 -15.686 -5.761 18.868 1.00 37.86 O HETATM 1440 O HOH 41 -10.362 15.512 8.310 1.00 63.32 O HETATM 1441 O HOH 42 -12.561 -11.228 19.862 1.00 37.54 O HETATM 1442 O HOH 43 -17.986 0.926 3.856 1.00 36.80 O HETATM 1443 O HOH 44 -16.050 7.037 5.394 1.00 44.63 O HETATM 1444 O HOH 45 -3.958 -3.905 19.242 1.00 50.75 O HETATM 1445 O HOH 46 -21.785 7.532 16.891 1.00 47.21 O HETATM 1446 O HOH 47 1.612 0.406 18.660 1.00 55.11 O HETATM 1447 O HOH 48 -19.993 4.328 9.908 1.00 45.10 O HETATM 1448 O HOH 49 -12.206 16.992 8.728 1.00 42.53 O HETATM 1449 O HOH 50 -1.786 -4.098 10.071 1.00 63.37 O HETATM 1450 O HOH 51 -10.257 -10.258 23.378 1.00 36.87 O HETATM 1451 O HOH 52 -25.915 -10.609 15.214 1.00 39.15 O HETATM 1452 O HOH 53 -8.930 17.487 8.637 1.00 55.21 O HETATM 1453 O HOH 54 -7.477 -5.789 5.674 1.00 44.61 O HETATM 1454 O HOH 55 -18.060 -4.659 24.890 1.00 55.15 O HETATM 1455 O HOH 56 -23.413 -11.189 23.101 1.00 49.15 O HETATM 1456 O HOH 57 -6.351 -9.023 13.748 1.00 39.31 O HETATM 1457 O HOH 58 -8.798 15.415 6.320 1.00 60.47 O HETATM 1458 O HOH 59 -14.746 1.023 24.275 1.00 48.72 O HETATM 1459 O HOH 60 -7.955 -10.114 23.405 1.00 54.25 O HETATM 1460 O HOH 61 -4.870 -6.642 19.974 1.00 57.56 O HETATM 1461 O HOH 62 -12.714 18.820 32.285 1.00 50.03 O HETATM 1462 O HOH 63 -9.127 -11.458 9.371 1.00 19.54 O HETATM 1463 O HOH 64 -25.496 -30.816 -12.588 1.00 54.57 O HETATM 1464 O HOH 65 -15.342 -21.612 -0.197 1.00 29.84 O HETATM 1465 O HOH 66 -18.291 -27.403 -4.803 1.00 49.21 O HETATM 1466 O HOH 67 -30.377 -26.489 -0.081 1.00 30.79 O HETATM 1467 O HOH 68 -24.802 -9.272 13.536 1.00 15.53 O HETATM 1468 O HOH 69 -26.972 -26.695 6.551 1.00 44.35 O HETATM 1469 O HOH 70 -25.272 -12.488 9.947 1.00 30.79 O HETATM 1470 O HOH 71 -35.007 -25.137 -1.730 1.00 33.37 O HETATM 1471 O HOH 72 -23.544 -24.927 6.593 1.00 37.98 O HETATM 1472 O HOH 73 -19.002 -5.488 -3.221 1.00 39.94 O HETATM 1473 O HOH 74 -6.525 -15.483 5.297 1.00 37.89 O HETATM 1474 O HOH 75 -19.254 -23.206 0.466 1.00 32.77 O HETATM 1475 O HOH 76 -24.381 -7.998 -15.749 1.00 40.47 O HETATM 1476 O HOH 77 -25.983 -9.418 5.574 1.00 53.04 O HETATM 1477 O HOH 78 -14.128 -14.485 16.454 1.00 27.47 O HETATM 1478 O HOH 79 -29.202 -23.241 6.781 1.00 42.59 O HETATM 1479 O HOH 80 -18.054 -21.143 -13.318 1.00 40.18 O HETATM 1480 O HOH 81 -16.646 -21.540 -2.348 1.00 27.33 O HETATM 1481 O HOH 82 -33.668 -20.933 1.543 1.00 33.09 O HETATM 1482 O HOH 83 -27.817 -28.111 -12.624 1.00 46.84 O HETATM 1483 O HOH 84 -16.859 -23.297 -8.226 1.00 37.21 O HETATM 1484 O HOH 85 -15.508 -22.325 5.890 1.00 36.84 O HETATM 1485 O HOH 86 -7.779 -15.795 10.398 1.00 35.22 O HETATM 1486 O HOH 87 -36.034 -7.864 -10.150 1.00 42.21 O HETATM 1487 O HOH 88 -18.284 -2.432 0.531 1.00 36.40 O HETATM 1488 O HOH 89 -12.275 -17.735 -6.026 1.00 33.23 O HETATM 1489 O HOH 90 -33.582 -5.782 -7.372 1.00 36.68 O HETATM 1490 O HOH 91 -19.655 -21.401 12.349 1.00 49.93 O HETATM 1491 O HOH 92 -26.696 -6.586 5.532 1.00 35.89 O HETATM 1492 O HOH 93 -11.089 -19.064 10.406 1.00 31.62 O HETATM 1493 O HOH 94 -10.649 -19.227 0.093 1.00 30.84 O HETATM 1494 O HOH 95 -33.837 -24.216 4.042 1.00 35.69 O HETATM 1495 O HOH 96 -20.628 -3.387 -7.082 1.00 49.82 O HETATM 1496 O HOH 97 -31.884 -22.144 -10.368 1.00 40.69 O HETATM 1497 O HOH 98 -16.099 -19.661 6.003 1.00 27.07 O HETATM 1498 O HOH 99 -16.188 -22.319 -10.658 1.00 42.96 O HETATM 1499 O HOH 100 -13.868 -18.169 11.466 1.00 31.83 O HETATM 1500 O HOH 101 -23.181 -2.959 1.962 1.00 45.02 O HETATM 1501 O HOH 102 -17.118 -18.106 13.810 1.00 32.16 O HETATM 1502 O HOH 103 -17.456 -17.316 6.362 1.00 33.20 O HETATM 1503 O HOH 104 -33.188 -24.919 6.658 1.00 37.48 O HETATM 1504 O HOH 105 -7.618 -11.076 7.549 1.00 31.71 O HETATM 1505 O HOH 106 -26.681 -4.849 -9.356 1.00 50.35 O HETATM 1506 O HOH 107 -20.276 -29.099 -10.504 1.00 45.26 O HETATM 1507 O HOH 108 -37.209 -18.818 -3.867 1.00 42.36 O HETATM 1508 O HOH 109 -36.249 -11.416 -3.726 1.00 50.48 O HETATM 1509 O HOH 110 -20.199 -28.856 -6.592 1.00 58.21 O HETATM 1510 O HOH 111 -30.576 -24.943 8.134 1.00 44.46 O HETATM 1511 O HOH 112 -9.234 -9.596 -3.306 1.00 65.99 O HETATM 1512 O HOH 113 -30.077 -21.029 4.650 1.00 58.21 O HETATM 1513 O HOH 114 -7.525 -12.844 10.594 1.00 35.80 O HETATM 1514 O HOH 115 -28.175 -29.595 4.598 1.00 61.59 O HETATM 1515 O HOH 116 -25.768 -28.617 5.874 1.00 50.30 O HETATM 1516 O HOH 117 -32.020 -21.277 5.348 1.00 50.60 O HETATM 1517 O HOH 118 -28.558 -19.962 5.890 1.00 48.17 O HETATM 1518 O HOH 119 -6.076 -13.767 7.433 1.00 53.27 O HETATM 1519 O HOH 120 -18.635 -23.563 -2.193 1.00 30.85 O HETATM 1520 O HOH 121 -27.079 -6.636 -14.106 1.00 49.35 O HETATM 1521 O HOH 122 -23.568 -18.782 -14.277 1.00 53.80 O HETATM 1522 O HOH 123 -27.458 -5.349 -11.953 1.00 57.25 O HETATM 1523 O HOH 124 -23.834 -16.766 -15.299 1.00 58.73 O HETATM 1524 O HOH 125 -27.048 -13.940 11.247 1.00 58.68 O HETATM 1525 O HOH 126 -17.064 -25.432 -3.435 1.00 40.03 O HETATM 1526 O HOH 127 -8.678 -12.050 -3.336 1.00 61.29 O HETATM 1527 P1 C A 2 -23.248 -5.058 5.829 1.00 0.26 P HETATM 1528 O2P C A 2 -24.351 -5.204 4.794 1.00 -0.62 O HETATM 1529 O1P C A 2 -22.231 -4.059 5.395 1.00 -0.62 O HETATM 1530 O5' C A 2 -22.587 -6.401 6.160 1.00 -0.25 O HETATM 1531 C5' C A 2 -23.381 -7.482 6.393 1.00 0.11 C HETATM 1532 C4' C A 2 -22.682 -8.558 7.180 1.00 0.12 C HETATM 1533 O4' C A 2 -21.548 -9.062 6.490 1.00 -0.34 O HETATM 1534 C1' C A 2 -20.549 -9.378 7.411 1.00 0.20 C HETATM 1535 C2' C A 2 -21.237 -9.164 8.643 1.00 0.14 C HETATM 1536 C3' C A 2 -22.126 -8.064 8.523 1.00 0.15 C HETATM 1537 O3' C A 2 -23.124 -8.103 9.534 1.00 -0.25 O HETATM 1538 P11 C A 2 -22.817 -7.285 10.895 1.00 0.26 P HETATM 1539 O21 C A 2 -23.996 -7.722 11.721 1.00 -0.62 O HETATM 1540 O11 C A 2 -21.473 -7.662 11.354 1.00 -0.62 O HETATM 1541 O5A C A 2 -22.899 -5.787 10.562 1.00 -0.25 O HETATM 1542 C5A C A 2 -24.149 -5.293 10.149 1.00 0.11 C HETATM 1543 C4A C A 2 -24.067 -3.994 9.391 1.00 0.12 C HETATM 1544 O4A C A 2 -23.449 -2.963 10.271 1.00 -0.34 O HETATM 1545 C1A C A 2 -22.581 -2.198 9.512 1.00 0.20 C HETATM 1546 C2A C A 2 -22.755 -2.613 8.063 1.00 0.14 C HETATM 1547 C3A C A 2 -23.206 -4.029 8.174 1.00 0.15 C HETATM 1548 O3A C A 2 -23.994 -4.476 7.131 1.00 -0.25 O HETATM 1549 H15 C A 2 -22.342 -4.699 8.296 1.00 0.07 H HETATM 1550 O2A C A 2 -23.695 -1.762 7.543 1.00 -0.38 O HETATM 1551 H17 C A 2 -23.931 -2.049 6.669 1.00 0.21 H HETATM 1552 H16 C A 2 -21.820 -2.545 7.488 1.00 0.07 H HETATM 1553 N91 C A 2 -21.234 -2.389 10.012 1.00 -0.21 N HETATM 1554 C81 C A 2 -20.745 -3.329 10.778 1.00 0.10 C HETATM 1555 N71 C A 2 -19.514 -3.187 11.013 1.00 -0.32 N HETATM 1556 C51 C A 2 -18.990 -2.119 10.430 1.00 0.09 C HETATM 1557 C61 C A 2 -17.757 -1.431 10.308 1.00 0.21 C HETATM 1558 O61 C A 2 -16.643 -1.833 10.878 1.00 -0.41 O HETATM 1559 N11 C A 2 -17.700 -0.303 9.554 1.00 -0.18 N HETATM 1560 C21 C A 2 -18.796 0.164 8.954 1.00 0.23 C HETATM 1561 N21 C A 2 -18.757 1.341 8.158 1.00 -0.28 N HETATM 1562 H21 C A 2 -19.615 1.684 7.704 1.00 0.19 H HETATM 1563 H22 C A 2 -17.870 1.851 8.036 1.00 0.19 H HETATM 1564 N31 C A 2 -20.002 -0.413 9.014 1.00 -0.28 N HETATM 1565 C41 C A 2 -20.115 -1.536 9.740 1.00 0.12 C HETATM 1566 H20 C A 2 -16.831 0.180 9.448 1.00 0.25 H HETATM 1567 H19 C A 2 -21.340 -4.151 11.173 1.00 0.12 H HETATM 1568 H18 C A 2 -22.842 -1.134 9.609 1.00 0.10 H HETATM 1569 H14 C A 2 -25.086 -3.694 9.104 1.00 0.07 H HETATM 1570 H12 C A 2 -24.772 -5.135 11.042 1.00 0.06 H HETATM 1571 H13 C A 2 -24.622 -6.045 9.500 1.00 0.06 H HETATM 1572 H4 C A 2 -21.637 -7.079 8.485 1.00 0.07 H HETATM 1573 O2' C A 2 -21.601 -10.425 9.183 1.00 -0.38 O HETATM 1574 H6 C A 2 -21.892 -10.312 10.080 1.00 0.21 H HETATM 1575 H5 C A 2 -20.482 -8.794 9.352 1.00 0.07 H HETATM 1576 N9 C A 2 -19.423 -8.502 6.946 1.00 -0.21 N HETATM 1577 C8 C A 2 -19.405 -7.456 6.116 1.00 0.10 C HETATM 1578 N7 C A 2 -18.264 -7.025 5.935 1.00 -0.32 N HETATM 1579 C5 C A 2 -17.362 -7.739 6.612 1.00 0.09 C HETATM 1580 C6 C A 2 -15.987 -7.770 6.803 1.00 0.21 C HETATM 1581 O6 C A 2 -15.176 -6.879 6.241 1.00 -0.41 O HETATM 1582 N1 C A 2 -15.450 -8.714 7.619 1.00 -0.18 N HETATM 1583 C2 C A 2 -16.220 -9.660 8.232 1.00 0.23 C HETATM 1584 N2 C A 2 -15.554 -10.643 9.086 1.00 -0.28 N HETATM 1585 H10 C A 2 -16.107 -11.370 9.563 1.00 0.19 H HETATM 1586 H11 C A 2 -14.532 -10.608 9.211 1.00 0.19 H HETATM 1587 N3 C A 2 -17.547 -9.692 8.130 1.00 -0.28 N HETATM 1588 C4 C A 2 -18.104 -8.783 7.310 1.00 0.12 C HETATM 1589 H9 C A 2 -14.462 -8.716 7.775 1.00 0.25 H HETATM 1590 H8 C A 2 -20.295 -7.033 5.653 1.00 0.12 H HETATM 1591 H7 C A 2 -20.225 -10.428 7.362 1.00 0.10 H HETATM 1592 H3 C A 2 -23.401 -9.371 7.358 1.00 0.07 H HETATM 1593 H1 C A 2 -23.696 -7.902 5.426 1.00 0.06 H HETATM 1594 H2 C A 2 -24.267 -7.153 6.957 1.00 0.06 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 697 698 703 704 705 CONECT 704 697 CONECT 705 697 CONECT 1527 1528 1529 1530 1548 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1527 1531 CONECT 1531 1530 1532 1593 1594 CONECT 1532 1531 1533 1536 1592 CONECT 1533 1532 1534 CONECT 1534 1533 1535 1576 1591 CONECT 1535 1534 1536 1573 1575 CONECT 1536 1532 1535 1537 1572 CONECT 1537 1536 1538 CONECT 1538 1537 1539 1540 1541 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1538 1542 CONECT 1542 1541 1543 1570 1571 CONECT 1543 1542 1544 1547 1569 CONECT 1544 1543 1545 CONECT 1545 1544 1546 1553 1568 CONECT 1546 1545 1547 1550 1552 CONECT 1547 1543 1546 1548 1549 CONECT 1548 1527 1547 CONECT 1549 1547 CONECT 1550 1546 1551 CONECT 1551 1550 CONECT 1552 1546 CONECT 1553 1545 1554 1565 CONECT 1554 1553 1555 1567 CONECT 1555 1554 1556 CONECT 1556 1555 1557 1565 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1566 CONECT 1560 1559 1561 1564 CONECT 1561 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1560 1565 CONECT 1565 1553 1556 1564 CONECT 1566 1559 CONECT 1567 1554 CONECT 1568 1545 CONECT 1569 1543 CONECT 1570 1542 CONECT 1571 1542 CONECT 1572 1536 CONECT 1573 1535 1574 CONECT 1574 1573 CONECT 1575 1535 CONECT 1576 1534 1577 1588 CONECT 1577 1576 1578 1590 CONECT 1578 1577 1579 CONECT 1579 1578 1580 1588 CONECT 1580 1579 1581 1582 CONECT 1581 1580 CONECT 1582 1580 1583 1589 CONECT 1583 1582 1584 1587 CONECT 1584 1583 1585 1586 CONECT 1585 1584 CONECT 1586 1584 CONECT 1587 1583 1588 CONECT 1588 1576 1579 1587 CONECT 1589 1582 CONECT 1590 1577 CONECT 1591 1534 CONECT 1592 1532 CONECT 1593 1531 CONECT 1594 1531 MASTER 0 0 0 0 0 0 0 0 1592 2 75 12 END
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Complexes with the same small molecule ligand
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Ligand Name
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PDBbind
C2E
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PDBbind
C2E
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PDBbind
C2E
4euv
RCSB PDB
PDBbind
C2E
4f3h
RCSB PDB
PDBbind
C2E
4f5y
RCSB PDB
PDBbind
C2E
4f9g
RCSB PDB
PDBbind
C2E
4kby
RCSB PDB
PDBbind
C2E
4lj3
RCSB PDB
PDBbind
C2E
4oaz
RCSB PDB
PDBbind
C2E
4p00
RCSB PDB
PDBbind
C2E
4p02
RCSB PDB
PDBbind
C2E
4rt0
RCSB PDB
PDBbind
C2E
4rt1
RCSB PDB
PDBbind
C2E
5ejl
RCSB PDB
PDBbind
C2E
5exx
RCSB PDB
PDBbind
C2E
5htl
RCSB PDB
PDBbind
C2E
5tzd
RCSB PDB
PDBbind
C2E
5tzf
RCSB PDB
PDBbind
C2E
5tzg
RCSB PDB
PDBbind
C2E
6pfj
RCSB PDB
PDBbind
C2E
6a04
RCSB PDB
PDBbind
C2E
5y6g
RCSB PDB
PDBbind
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Entry Information
PDB ID
5khd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
BldD C-terminal domain (CTD) from Streptomyces venezuelae
Ligand Name
C2E
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=2.5uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Cell Vol. 158: pp. 1136-1147
Ligand Properties
Formula
C
2
0
H
2
6
N
1
0
O
1
4
P
2
Molecular Weight
692.427
Exact Mass
692.111
No. of atoms
72
No. of bonds
78
Polar Surface Area
383.12
LOGP Value
-6.93 (
Computed with XLOGP3
)
-2.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 7
Canonical SMILES
O[C@@H]1[C@@H]2OP(O)(O)OC[C@H]3O[C@H]([C@@H]([C@@H]3OP(OC[C@H]2O[C@H]1n1cnc2c1nc(N)[nH]c2=O)(O)O)O)n1cnc2c1nc(N)[nH]c2=O
InChI String
InChI=1S/C20H28N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32,35-38,45-46H,1-2H2,(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/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):
F2RCL8
Entrez Gene ID
NCBI Entrez Gene ID:
61485974
ASD
Information of known allosteric effects of PDB entries
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