Browse entries in the PDBbind-CN Database
HEADER 4UNQ_COMPLEX COMPND 4UNQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 144 MET LEU ILE ALA ILE GLU GLY VAL ASP GLY ALA GLY LYS SEQRES 2 A 144 ARG THR LEU VAL GLU LYS LEU SER GLY ALA PHE ARG ALA SEQRES 3 A 144 ALA GLY ARG SER VAL ALA THR LEU ALA PHE PRO ARG TYR SEQRES 4 A 144 GLY GLN SER VAL ALA ALA ASP ILE ALA ALA GLU ALA LEU SEQRES 5 A 144 HIS GLY GLU HIS GLY ASP LEU ALA SER SER VAL TYR ALA SEQRES 6 A 144 MET ALA THR LEU PHE ALA LEU ASP ARG ALA GLY ALA VAL SEQRES 7 A 144 HIS THR ILE GLN GLY LEU CYS ARG GLY TYR ASP VAL VAL SEQRES 8 A 144 ILE LEU ASP ARG TYR VAL ALA SER ASN ALA ALA TYR SER SEQRES 9 A 144 ALA ALA ARG LEU HIS GLU ASN ALA ALA GLY LYS ALA ALA SEQRES 10 A 144 ALA TRP VAL GLN ARG ILE GLU PHE ALA ARG LEU GLY LEU SEQRES 11 A 144 PRO LYS PRO ASP TRP GLN VAL LEU LEU ALA VAL SER ALA SEQRES 12 A 144 GLU SEQRES 1 A 42 ASP ALA GLU LEU GLN GLN ARG THR GLY ALA VAL TYR ALA SEQRES 2 A 42 GLU LEU ALA ALA GLN GLY TRP GLY GLY ARG TRP LEU VAL SEQRES 3 A 42 VAL GLY ALA ASP VAL ASP PRO GLY ARG LEU ALA ALA THR SEQRES 4 A 42 LEU ALA PRO HET H A 6D 33 ATOM 1 N MET A 1 4.150 38.759 -20.942 1.00 33.92 N ATOM 2 CA MET A 1 5.561 38.628 -21.349 1.00 33.66 C ATOM 3 C MET A 1 6.410 38.670 -20.107 1.00 31.71 C ATOM 4 O MET A 1 6.201 39.552 -19.239 1.00 30.84 O ATOM 5 CB MET A 1 5.977 39.813 -22.198 1.00 34.97 C ATOM 6 CG MET A 1 7.157 39.528 -23.154 1.00 37.81 C ATOM 7 SD MET A 1 7.719 41.026 -23.925 1.00 44.82 S ATOM 8 CE MET A 1 6.433 42.204 -23.491 1.00 47.32 C ATOM 9 HN3 MET A 1 4.016 39.663 -20.446 1.00 0.00 H ATOM 10 HN2 MET A 1 3.899 37.974 -20.308 1.00 0.00 H ATOM 11 HN1 MET A 1 3.543 38.733 -21.786 1.00 0.00 H ATOM 12 N LEU A 2 7.356 37.740 -20.017 1.00 29.94 N ATOM 13 CA LEU A 2 8.320 37.701 -18.913 1.00 29.48 C ATOM 14 C LEU A 2 9.745 38.111 -19.354 1.00 28.69 C ATOM 15 O LEU A 2 10.313 37.521 -20.268 1.00 30.26 O ATOM 16 CB LEU A 2 8.320 36.300 -18.296 1.00 28.53 C ATOM 17 CG LEU A 2 9.266 36.060 -17.140 1.00 27.05 C ATOM 18 CD1 LEU A 2 8.945 36.855 -15.914 1.00 25.31 C ATOM 19 CD2 LEU A 2 9.288 34.585 -16.842 1.00 24.03 C ATOM 20 H LEU A 2 7.414 37.013 -20.758 1.00 0.00 H ATOM 21 N ILE A 3 10.319 39.100 -18.677 1.00 28.24 N ATOM 22 CA ILE A 3 11.561 39.706 -19.072 1.00 28.15 C ATOM 23 C ILE A 3 12.474 39.714 -17.848 1.00 27.86 C ATOM 24 O ILE A 3 12.033 40.096 -16.767 1.00 29.73 O ATOM 25 CB ILE A 3 11.350 41.186 -19.619 1.00 28.97 C ATOM 26 CG1 ILE A 3 10.416 41.192 -20.823 1.00 29.27 C ATOM 27 CG2 ILE A 3 12.671 41.800 -20.052 1.00 30.08 C ATOM 28 CD1 ILE A 3 9.931 42.530 -21.230 1.00 31.70 C ATOM 29 H ILE A 3 9.847 39.452 -17.820 1.00 0.00 H ATOM 30 N ALA A 4 13.719 39.279 -18.011 1.00 26.64 N ATOM 31 CA ALA A 4 14.744 39.387 -16.982 1.00 25.61 C ATOM 32 C ALA A 4 15.784 40.420 -17.402 1.00 25.27 C ATOM 33 O ALA A 4 16.306 40.408 -18.534 1.00 25.41 O ATOM 34 CB ALA A 4 15.426 38.055 -16.753 1.00 25.81 C ATOM 35 H ALA A 4 13.974 38.840 -18.918 1.00 0.00 H ATOM 36 N ILE A 5 16.081 41.321 -16.487 1.00 24.38 N ATOM 37 CA ILE A 5 17.193 42.214 -16.642 1.00 24.55 C ATOM 38 C ILE A 5 18.385 41.631 -15.914 1.00 24.63 C ATOM 39 O ILE A 5 18.314 41.313 -14.718 1.00 23.63 O ATOM 40 CB ILE A 5 16.888 43.601 -16.098 1.00 24.43 C ATOM 41 CG1 ILE A 5 15.595 44.120 -16.725 1.00 24.49 C ATOM 42 CG2 ILE A 5 18.045 44.516 -16.391 1.00 26.48 C ATOM 43 CD1 ILE A 5 15.581 44.144 -18.250 1.00 21.77 C ATOM 44 H ILE A 5 15.494 41.386 -15.631 1.00 0.00 H ATOM 45 N GLU A 6 19.480 41.477 -16.663 1.00 25.42 N ATOM 46 CA GLU A 6 20.697 40.887 -16.149 1.00 25.26 C ATOM 47 C GLU A 6 21.875 41.834 -16.284 1.00 26.32 C ATOM 48 O GLU A 6 21.900 42.737 -17.146 1.00 27.35 O ATOM 49 CB GLU A 6 21.024 39.587 -16.898 1.00 24.54 C ATOM 50 CG GLU A 6 20.018 38.488 -16.719 1.00 26.86 C ATOM 51 CD GLU A 6 20.029 37.823 -15.337 1.00 26.35 C ATOM 52 OE1 GLU A 6 20.961 38.103 -14.569 1.00 25.27 O ATOM 53 OE2 GLU A 6 19.102 37.015 -15.033 1.00 26.45 O ATOM 54 H GLU A 6 19.457 41.793 -17.653 1.00 0.00 H ATOM 55 N GLY A 7 22.893 41.568 -15.477 1.00 27.68 N ATOM 56 CA GLY A 7 24.207 42.185 -15.647 1.00 29.21 C ATOM 57 C GLY A 7 24.966 42.096 -14.354 1.00 30.41 C ATOM 58 O GLY A 7 24.456 41.544 -13.395 1.00 30.22 O ATOM 59 H GLY A 7 22.751 40.897 -14.695 1.00 0.00 H ATOM 60 N VAL A 8 26.191 42.626 -14.319 1.00 34.12 N ATOM 61 CA VAL A 8 27.018 42.560 -13.092 1.00 36.36 C ATOM 62 C VAL A 8 26.574 43.585 -12.049 1.00 37.94 C ATOM 63 O VAL A 8 25.829 44.513 -12.353 1.00 38.05 O ATOM 64 CB VAL A 8 28.521 42.706 -13.346 1.00 36.79 C ATOM 65 CG1 VAL A 8 29.010 41.576 -14.201 1.00 38.10 C ATOM 66 CG2 VAL A 8 28.850 44.039 -13.959 1.00 39.34 C ATOM 67 H VAL A 8 26.571 43.093 -15.167 1.00 0.00 H ATOM 68 N ASP A 9 27.055 43.406 -10.828 1.00 40.60 N ATOM 69 CA ASP A 9 26.683 44.251 -9.718 1.00 43.20 C ATOM 70 C ASP A 9 27.224 45.632 -9.963 1.00 44.19 C ATOM 71 O ASP A 9 28.426 45.803 -10.208 1.00 45.62 O ATOM 72 CB ASP A 9 27.253 43.703 -8.412 1.00 45.51 C ATOM 73 CG ASP A 9 26.214 43.626 -7.315 1.00 50.97 C ATOM 74 OD1 ASP A 9 25.100 43.039 -7.570 1.00 54.93 O ATOM 75 OD2 ASP A 9 26.533 44.126 -6.203 1.00 55.38 O ATOM 76 H ASP A 9 27.725 42.628 -10.663 1.00 0.00 H ATOM 77 N GLY A 10 26.334 46.624 -9.907 1.00 44.20 N ATOM 78 CA GLY A 10 26.719 48.025 -10.130 1.00 44.20 C ATOM 79 C GLY A 10 26.441 48.414 -11.572 1.00 43.27 C ATOM 80 O GLY A 10 26.606 49.556 -11.949 1.00 43.80 O ATOM 81 H GLY A 10 25.340 46.400 -9.700 1.00 0.00 H ATOM 82 N ALA A 11 26.016 47.466 -12.401 1.00 41.39 N ATOM 83 CA ALA A 11 25.826 47.801 -13.791 1.00 40.81 C ATOM 84 C ALA A 11 24.743 48.889 -13.920 1.00 40.61 C ATOM 85 O ALA A 11 24.823 49.750 -14.810 1.00 40.79 O ATOM 86 CB ALA A 11 25.472 46.573 -14.600 1.00 40.38 C ATOM 87 H ALA A 11 25.825 46.504 -12.055 1.00 0.00 H ATOM 88 N GLY A 12 23.755 48.847 -13.015 1.00 39.48 N ATOM 89 CA GLY A 12 22.657 49.825 -12.966 1.00 38.35 C ATOM 90 C GLY A 12 21.383 49.224 -13.527 1.00 36.61 C ATOM 91 O GLY A 12 20.656 49.877 -14.295 1.00 36.15 O ATOM 92 H GLY A 12 23.765 48.082 -12.310 1.00 0.00 H ATOM 93 N LYS A 13 21.114 47.983 -13.121 1.00 34.65 N ATOM 94 CA LYS A 13 19.959 47.216 -13.588 1.00 33.79 C ATOM 95 C LYS A 13 18.680 47.805 -13.078 1.00 33.91 C ATOM 96 O LYS A 13 17.669 47.857 -13.798 1.00 32.06 O ATOM 97 CB LYS A 13 20.017 45.764 -13.122 1.00 32.65 C ATOM 98 CG LYS A 13 21.235 45.006 -13.591 1.00 34.09 C ATOM 99 CD LYS A 13 21.161 43.502 -13.243 1.00 36.18 C ATOM 100 CE LYS A 13 21.122 43.277 -11.749 1.00 37.94 C ATOM 101 NZ LYS A 13 22.278 43.898 -11.114 1.00 41.60 N ATOM 102 HZ1 LYS A 13 23.149 43.480 -11.498 1.00 0.00 H ATOM 103 HZ2 LYS A 13 22.269 44.920 -11.305 1.00 0.00 H ATOM 104 HZ3 LYS A 13 22.237 43.735 -10.088 1.00 0.00 H ATOM 105 H LYS A 13 21.758 47.537 -12.437 1.00 0.00 H ATOM 106 N ARG A 14 18.701 48.255 -11.828 1.00 34.55 N ATOM 107 CA ARG A 14 17.481 48.843 -11.283 1.00 35.61 C ATOM 108 C ARG A 14 16.997 50.034 -12.102 1.00 34.75 C ATOM 109 O ARG A 14 15.803 50.168 -12.397 1.00 36.91 O ATOM 110 CB ARG A 14 17.653 49.253 -9.841 1.00 36.89 C ATOM 111 CG ARG A 14 16.316 49.446 -9.210 1.00 42.09 C ATOM 112 CD ARG A 14 16.448 49.702 -7.751 1.00 49.19 C ATOM 113 NE ARG A 14 15.331 50.516 -7.267 1.00 54.29 N ATOM 114 CZ ARG A 14 15.057 50.715 -5.983 1.00 58.15 C ATOM 115 NH1 ARG A 14 15.807 50.125 -5.043 1.00 60.09 N ATOM 116 NH2 ARG A 14 14.033 51.495 -5.639 1.00 59.05 N ATOM 117 HE ARG A 14 14.714 50.966 -7.973 1.00 0.00 H ATOM 118 HH12 ARG A 14 15.595 50.279 -4.036 1.00 0.00 H ATOM 119 HH11 ARG A 14 16.601 49.513 -5.320 1.00 0.00 H ATOM 120 HH22 ARG A 14 13.815 51.654 -4.635 1.00 0.00 H ATOM 121 HH21 ARG A 14 13.452 51.945 -6.375 1.00 0.00 H ATOM 122 H ARG A 14 19.565 48.190 -11.252 1.00 0.00 H ATOM 123 N THR A 15 17.909 50.924 -12.443 1.00 33.47 N ATOM 124 CA THR A 15 17.563 52.081 -13.256 1.00 32.42 C ATOM 125 C THR A 15 16.921 51.611 -14.600 1.00 30.53 C ATOM 126 O THR A 15 15.890 52.105 -14.986 1.00 29.67 O ATOM 127 CB THR A 15 18.835 52.950 -13.470 1.00 33.05 C ATOM 128 OG1 THR A 15 19.284 53.415 -12.202 1.00 32.83 O ATOM 129 CG2 THR A 15 18.584 54.144 -14.343 1.00 33.54 C ATOM 130 HG1 THR A 15 19.497 52.640 -11.624 1.00 0.00 H ATOM 131 H THR A 15 18.891 50.797 -12.126 1.00 0.00 H ATOM 132 N LEU A 16 17.535 50.636 -15.269 1.00 28.88 N ATOM 133 CA LEU A 16 16.969 50.036 -16.480 1.00 29.05 C ATOM 134 C LEU A 16 15.536 49.505 -16.269 1.00 29.08 C ATOM 135 O LEU A 16 14.625 49.792 -17.035 1.00 28.88 O ATOM 136 CB LEU A 16 17.857 48.912 -17.011 1.00 28.09 C ATOM 137 CG LEU A 16 17.470 48.385 -18.398 1.00 28.70 C ATOM 138 CD1 LEU A 16 17.136 49.517 -19.395 1.00 25.48 C ATOM 139 CD2 LEU A 16 18.555 47.438 -18.924 1.00 29.02 C ATOM 140 H LEU A 16 18.450 50.288 -14.919 1.00 0.00 H ATOM 141 N VAL A 17 15.338 48.790 -15.176 1.00 29.56 N ATOM 142 CA VAL A 17 14.052 48.250 -14.835 1.00 29.25 C ATOM 143 C VAL A 17 13.019 49.377 -14.777 1.00 31.85 C ATOM 144 O VAL A 17 11.922 49.260 -15.310 1.00 30.78 O ATOM 145 CB VAL A 17 14.130 47.545 -13.481 1.00 29.21 C ATOM 146 CG1 VAL A 17 12.698 47.181 -12.974 1.00 28.47 C ATOM 147 CG2 VAL A 17 15.084 46.293 -13.555 1.00 25.76 C ATOM 148 H VAL A 17 16.142 48.612 -14.540 1.00 0.00 H ATOM 149 N GLU A 18 13.385 50.483 -14.118 1.00 33.56 N ATOM 150 CA GLU A 18 12.451 51.585 -13.903 1.00 35.35 C ATOM 151 C GLU A 18 12.181 52.318 -15.218 1.00 35.27 C ATOM 152 O GLU A 18 11.061 52.686 -15.505 1.00 36.96 O ATOM 153 CB GLU A 18 13.007 52.544 -12.837 1.00 36.98 C ATOM 154 CG GLU A 18 13.088 51.917 -11.430 1.00 41.01 C ATOM 155 CD GLU A 18 13.765 52.827 -10.359 1.00 48.29 C ATOM 156 OE1 GLU A 18 14.315 53.924 -10.679 1.00 51.66 O ATOM 157 OE2 GLU A 18 13.743 52.408 -9.175 1.00 51.55 O ATOM 158 H GLU A 18 14.355 50.559 -13.751 1.00 0.00 H ATOM 159 N LYS A 19 13.226 52.523 -15.988 1.00 34.87 N ATOM 160 CA LYS A 19 13.144 53.113 -17.309 1.00 36.35 C ATOM 161 C LYS A 19 12.265 52.268 -18.220 1.00 35.43 C ATOM 162 O LYS A 19 11.370 52.795 -18.919 1.00 37.00 O ATOM 163 CB LYS A 19 14.544 53.223 -17.933 1.00 36.84 C ATOM 164 CG LYS A 19 15.293 54.516 -17.651 1.00 40.83 C ATOM 165 CD LYS A 19 16.841 54.404 -17.804 1.00 44.97 C ATOM 166 CE LYS A 19 17.291 53.596 -19.040 1.00 48.87 C ATOM 167 NZ LYS A 19 18.819 53.461 -19.202 1.00 51.32 N ATOM 168 HZ1 LYS A 19 19.242 54.407 -19.291 1.00 0.00 H ATOM 169 HZ2 LYS A 19 19.214 52.980 -18.368 1.00 0.00 H ATOM 170 HZ3 LYS A 19 19.028 52.905 -20.056 1.00 0.00 H ATOM 171 H LYS A 19 14.163 52.247 -15.630 1.00 0.00 H ATOM 172 N LEU A 20 12.514 50.966 -18.232 1.00 33.01 N ATOM 173 CA LEU A 20 11.667 50.081 -19.013 1.00 32.95 C ATOM 174 C LEU A 20 10.237 50.074 -18.533 1.00 33.11 C ATOM 175 O LEU A 20 9.309 50.047 -19.342 1.00 33.29 O ATOM 176 CB LEU A 20 12.162 48.645 -18.975 1.00 32.59 C ATOM 177 CG LEU A 20 12.742 48.046 -20.231 1.00 34.20 C ATOM 178 CD1 LEU A 20 12.560 46.496 -20.076 1.00 34.31 C ATOM 179 CD2 LEU A 20 12.076 48.541 -21.503 1.00 34.28 C ATOM 180 H LEU A 20 13.311 50.581 -17.686 1.00 0.00 H ATOM 181 N SER A 21 10.042 50.043 -17.220 1.00 33.05 N ATOM 182 CA SER A 21 8.686 50.008 -16.693 1.00 34.19 C ATOM 183 C SER A 21 7.896 51.188 -17.174 1.00 34.60 C ATOM 184 O SER A 21 6.790 51.003 -17.639 1.00 35.80 O ATOM 185 CB SER A 21 8.692 49.969 -15.174 1.00 34.90 C ATOM 186 OG SER A 21 9.394 48.821 -14.772 1.00 35.81 O ATOM 187 HG SER A 21 10.321 48.865 -15.117 1.00 0.00 H ATOM 188 H SER A 21 10.855 50.044 -16.571 1.00 0.00 H ATOM 189 N GLY A 22 8.466 52.389 -17.081 1.00 34.97 N ATOM 190 CA GLY A 22 7.808 53.614 -17.599 1.00 35.66 C ATOM 191 C GLY A 22 7.527 53.578 -19.090 1.00 35.65 C ATOM 192 O GLY A 22 6.498 54.073 -19.533 1.00 37.29 O ATOM 193 H GLY A 22 9.400 52.470 -16.632 1.00 0.00 H ATOM 194 N ALA A 23 8.443 52.995 -19.876 1.00 34.77 N ATOM 195 CA ALA A 23 8.269 52.941 -21.330 1.00 35.04 C ATOM 196 C ALA A 23 7.135 51.992 -21.690 1.00 35.37 C ATOM 197 O ALA A 23 6.357 52.257 -22.590 1.00 36.57 O ATOM 198 CB ALA A 23 9.555 52.517 -22.028 1.00 34.17 C ATOM 199 H ALA A 23 9.291 52.574 -19.447 1.00 0.00 H ATOM 200 N PHE A 24 7.014 50.893 -20.960 1.00 34.62 N ATOM 201 CA PHE A 24 5.934 49.963 -21.210 1.00 34.67 C ATOM 202 C PHE A 24 4.593 50.556 -20.809 1.00 36.38 C ATOM 203 O PHE A 24 3.601 50.424 -21.541 1.00 38.23 O ATOM 204 CB PHE A 24 6.161 48.656 -20.465 1.00 34.04 C ATOM 205 CG PHE A 24 7.094 47.685 -21.170 1.00 32.95 C ATOM 206 CD1 PHE A 24 6.901 47.331 -22.498 1.00 33.71 C ATOM 207 CD2 PHE A 24 8.122 47.078 -20.469 1.00 31.05 C ATOM 208 CE1 PHE A 24 7.744 46.411 -23.126 1.00 32.42 C ATOM 209 CE2 PHE A 24 8.939 46.174 -21.079 1.00 29.67 C ATOM 210 CZ PHE A 24 8.763 45.841 -22.409 1.00 31.55 C ATOM 211 H PHE A 24 7.699 50.698 -20.203 1.00 0.00 H ATOM 212 N ARG A 25 4.546 51.232 -19.673 1.00 36.08 N ATOM 213 CA ARG A 25 3.305 51.851 -19.256 1.00 37.52 C ATOM 214 C ARG A 25 2.923 53.013 -20.189 1.00 38.51 C ATOM 215 O ARG A 25 1.736 53.199 -20.488 1.00 39.23 O ATOM 216 CB ARG A 25 3.387 52.306 -17.809 1.00 38.76 C ATOM 217 CG ARG A 25 3.413 51.183 -16.834 1.00 38.57 C ATOM 218 CD ARG A 25 3.980 51.644 -15.510 1.00 41.67 C ATOM 219 NE ARG A 25 3.894 50.583 -14.501 1.00 42.38 N ATOM 220 CZ ARG A 25 4.704 50.452 -13.454 1.00 41.35 C ATOM 221 NH1 ARG A 25 5.687 51.306 -13.242 1.00 42.51 N ATOM 222 NH2 ARG A 25 4.532 49.451 -12.607 1.00 41.36 N ATOM 223 HE ARG A 25 3.139 49.876 -14.613 1.00 0.00 H ATOM 224 HH12 ARG A 25 6.310 51.187 -12.418 1.00 0.00 H ATOM 225 HH11 ARG A 25 5.839 52.098 -13.899 1.00 0.00 H ATOM 226 HH22 ARG A 25 5.165 49.348 -11.788 1.00 0.00 H ATOM 227 HH21 ARG A 25 3.764 48.767 -12.760 1.00 0.00 H ATOM 228 H ARG A 25 5.397 51.319 -19.082 1.00 0.00 H ATOM 229 N ALA A 26 3.923 53.748 -20.694 1.00 37.53 N ATOM 230 CA ALA A 26 3.662 54.786 -21.689 1.00 38.77 C ATOM 231 C ALA A 26 3.063 54.181 -22.933 1.00 39.65 C ATOM 232 O ALA A 26 2.281 54.823 -23.598 1.00 41.86 O ATOM 233 CB ALA A 26 4.931 55.574 -22.036 1.00 38.09 C ATOM 234 H ALA A 26 4.898 53.578 -20.374 1.00 0.00 H ATOM 235 N ALA A 27 3.431 52.943 -23.258 1.00 38.95 N ATOM 236 CA ALA A 27 2.872 52.257 -24.420 1.00 39.65 C ATOM 237 C ALA A 27 1.543 51.545 -24.085 1.00 41.40 C ATOM 238 O ALA A 27 1.013 50.788 -24.903 1.00 41.51 O ATOM 239 CB ALA A 27 3.905 51.259 -25.018 1.00 37.05 C ATOM 240 H ALA A 27 4.134 52.452 -22.670 1.00 0.00 H ATOM 241 N GLY A 28 1.002 51.821 -22.897 1.00 42.78 N ATOM 242 CA GLY A 28 -0.317 51.335 -22.503 1.00 44.49 C ATOM 243 C GLY A 28 -0.317 49.936 -21.903 1.00 44.40 C ATOM 244 O GLY A 28 -1.360 49.293 -21.877 1.00 45.58 O ATOM 245 H GLY A 28 1.541 52.405 -22.226 1.00 0.00 H ATOM 246 N ARG A 29 0.832 49.486 -21.388 1.00 43.36 N ATOM 247 CA ARG A 29 0.988 48.126 -20.866 1.00 43.05 C ATOM 248 C ARG A 29 1.154 48.111 -19.362 1.00 42.37 C ATOM 249 O ARG A 29 1.921 48.895 -18.816 1.00 43.02 O ATOM 250 CB ARG A 29 2.226 47.478 -21.478 1.00 42.28 C ATOM 251 CG ARG A 29 2.109 47.234 -22.960 1.00 45.31 C ATOM 252 CD ARG A 29 3.381 46.735 -23.558 1.00 48.73 C ATOM 253 NE ARG A 29 3.377 46.996 -24.994 1.00 54.08 N ATOM 254 CZ ARG A 29 2.717 46.262 -25.890 1.00 59.60 C ATOM 255 NH1 ARG A 29 2.015 45.189 -25.515 1.00 61.44 N ATOM 256 NH2 ARG A 29 2.757 46.602 -27.175 1.00 62.26 N ATOM 257 HE ARG A 29 3.925 47.809 -25.341 1.00 0.00 H ATOM 258 HH12 ARG A 29 1.505 44.626 -26.226 1.00 0.00 H ATOM 259 HH11 ARG A 29 1.978 44.916 -24.512 1.00 0.00 H ATOM 260 HH22 ARG A 29 2.244 46.034 -27.879 1.00 0.00 H ATOM 261 HH21 ARG A 29 3.301 47.436 -27.476 1.00 0.00 H ATOM 262 H ARG A 29 1.649 50.128 -21.357 1.00 0.00 H ATOM 263 N SER A 30 0.482 47.194 -18.680 1.00 41.74 N ATOM 264 CA SER A 30 0.652 47.080 -17.236 1.00 40.83 C ATOM 265 C SER A 30 1.951 46.316 -16.958 1.00 38.16 C ATOM 266 O SER A 30 2.350 45.463 -17.730 1.00 37.41 O ATOM 267 CB SER A 30 -0.542 46.369 -16.598 1.00 41.80 C ATOM 268 OG SER A 30 -0.636 45.065 -17.142 1.00 41.36 O ATOM 269 HG SER A 30 0.197 44.567 -16.947 1.00 0.00 H ATOM 270 H SER A 30 -0.169 46.553 -19.177 1.00 0.00 H ATOM 271 N VAL A 31 2.604 46.644 -15.851 1.00 36.78 N ATOM 272 CA VAL A 31 3.930 46.115 -15.545 1.00 34.97 C ATOM 273 C VAL A 31 4.001 45.800 -14.069 1.00 35.04 C ATOM 274 O VAL A 31 3.470 46.550 -13.249 1.00 36.48 O ATOM 275 CB VAL A 31 5.058 47.136 -15.888 1.00 33.66 C ATOM 276 CG1 VAL A 31 6.425 46.551 -15.609 1.00 34.06 C ATOM 277 CG2 VAL A 31 4.989 47.549 -17.328 1.00 32.51 C ATOM 278 H VAL A 31 2.157 47.300 -15.179 1.00 0.00 H ATOM 279 N ALA A 32 4.652 44.693 -13.745 1.00 33.80 N ATOM 280 CA ALA A 32 4.982 44.313 -12.377 1.00 34.06 C ATOM 281 C ALA A 32 6.446 43.925 -12.331 1.00 33.28 C ATOM 282 O ALA A 32 7.001 43.472 -13.327 1.00 33.74 O ATOM 283 CB ALA A 32 4.137 43.155 -11.927 1.00 34.08 C ATOM 284 H ALA A 32 4.946 44.056 -14.513 1.00 0.00 H ATOM 285 N THR A 33 7.083 44.104 -11.185 1.00 34.19 N ATOM 286 CA THR A 33 8.484 43.752 -11.048 1.00 33.90 C ATOM 287 C THR A 33 8.784 43.063 -9.743 1.00 34.38 C ATOM 288 O THR A 33 8.059 43.209 -8.749 1.00 36.01 O ATOM 289 CB THR A 33 9.393 44.975 -11.117 1.00 34.01 C ATOM 290 OG1 THR A 33 9.269 45.730 -9.903 1.00 37.09 O ATOM 291 CG2 THR A 33 9.029 45.860 -12.313 1.00 34.70 C ATOM 292 HG1 THR A 33 9.533 45.164 -9.135 1.00 0.00 H ATOM 293 H THR A 33 6.572 44.502 -10.371 1.00 0.00 H ATOM 294 N LEU A 34 9.882 42.317 -9.787 1.00 33.71 N ATOM 295 CA LEU A 34 10.450 41.583 -8.687 1.00 33.66 C ATOM 296 C LEU A 34 11.970 41.673 -8.825 1.00 32.31 C ATOM 297 O LEU A 34 12.481 41.736 -9.941 1.00 31.91 O ATOM 298 CB LEU A 34 10.125 40.102 -8.821 1.00 34.29 C ATOM 299 CG LEU A 34 8.951 39.440 -8.173 1.00 37.68 C ATOM 300 CD1 LEU A 34 9.243 37.949 -8.130 1.00 33.94 C ATOM 301 CD2 LEU A 34 8.709 40.025 -6.771 1.00 40.89 C ATOM 302 H LEU A 34 10.377 42.258 -10.700 1.00 0.00 H ATOM 303 N ALA A 35 12.677 41.626 -7.707 1.00 30.94 N ATOM 304 CA ALA A 35 14.126 41.655 -7.711 1.00 30.70 C ATOM 305 C ALA A 35 14.580 40.376 -7.053 1.00 30.43 C ATOM 306 O ALA A 35 13.965 39.953 -6.076 1.00 31.22 O ATOM 307 CB ALA A 35 14.663 42.860 -6.904 1.00 31.46 C ATOM 308 H ALA A 35 12.177 41.566 -6.797 1.00 0.00 H ATOM 309 N PHE A 36 15.599 39.734 -7.619 1.00 28.70 N ATOM 310 CA PHE A 36 16.328 38.693 -6.918 1.00 29.14 C ATOM 311 C PHE A 36 17.793 39.085 -6.677 1.00 28.91 C ATOM 312 O PHE A 36 18.321 39.977 -7.360 1.00 27.55 O ATOM 313 CB PHE A 36 16.277 37.383 -7.699 1.00 29.32 C ATOM 314 CG PHE A 36 14.898 36.795 -7.788 1.00 28.52 C ATOM 315 CD1 PHE A 36 14.388 36.038 -6.747 1.00 29.28 C ATOM 316 CD2 PHE A 36 14.116 36.982 -8.913 1.00 29.63 C ATOM 317 CE1 PHE A 36 13.112 35.487 -6.813 1.00 28.56 C ATOM 318 CE2 PHE A 36 12.829 36.443 -8.984 1.00 30.59 C ATOM 319 CZ PHE A 36 12.331 35.688 -7.912 1.00 29.73 C ATOM 320 H PHE A 36 15.880 39.985 -8.588 1.00 0.00 H ATOM 321 N PRO A 37 18.438 38.455 -5.668 1.00 29.02 N ATOM 322 CA PRO A 37 17.839 37.574 -4.630 1.00 30.09 C ATOM 323 C PRO A 37 16.908 38.295 -3.653 1.00 31.08 C ATOM 324 O PRO A 37 17.025 39.491 -3.454 1.00 32.58 O ATOM 325 CB PRO A 37 19.047 37.021 -3.870 1.00 30.17 C ATOM 326 CG PRO A 37 20.262 37.278 -4.805 1.00 30.96 C ATOM 327 CD PRO A 37 19.907 38.519 -5.575 1.00 29.13 C ATOM 328 N ARG A 38 16.028 37.565 -2.991 1.00 32.46 N ATOM 329 CA ARG A 38 15.017 38.208 -2.141 1.00 33.74 C ATOM 330 C ARG A 38 15.479 38.305 -0.696 1.00 35.97 C ATOM 331 O ARG A 38 14.864 37.734 0.236 1.00 37.62 O ATOM 332 CB ARG A 38 13.709 37.461 -2.231 1.00 33.70 C ATOM 333 CG ARG A 38 13.110 37.467 -3.636 1.00 32.75 C ATOM 334 CD ARG A 38 11.760 36.767 -3.611 1.00 32.54 C ATOM 335 NE ARG A 38 11.937 35.351 -3.287 1.00 32.55 N ATOM 336 CZ ARG A 38 11.073 34.582 -2.632 1.00 35.59 C ATOM 337 NH1 ARG A 38 9.942 35.098 -2.189 1.00 38.69 N ATOM 338 NH2 ARG A 38 11.360 33.285 -2.383 1.00 35.57 N ATOM 339 HE ARG A 38 12.823 34.904 -3.599 1.00 0.00 H ATOM 340 HH12 ARG A 38 9.263 34.500 -1.676 1.00 0.00 H ATOM 341 HH11 ARG A 38 9.729 36.103 -2.353 1.00 0.00 H ATOM 342 HH22 ARG A 38 10.678 32.691 -1.870 1.00 0.00 H ATOM 343 HH21 ARG A 38 12.263 32.881 -2.705 1.00 0.00 H ATOM 344 H ARG A 38 16.051 36.528 -3.072 1.00 0.00 H ATOM 345 N TYR A 39 16.560 39.049 -0.510 1.00 36.45 N ATOM 346 CA TYR A 39 17.085 39.294 0.809 1.00 38.60 C ATOM 347 C TYR A 39 15.979 39.847 1.708 1.00 40.63 C ATOM 348 O TYR A 39 15.166 40.648 1.249 1.00 41.67 O ATOM 349 CB TYR A 39 18.255 40.268 0.736 1.00 38.70 C ATOM 350 CG TYR A 39 19.387 39.789 -0.171 1.00 37.31 C ATOM 351 CD1 TYR A 39 20.036 38.592 0.080 1.00 37.09 C ATOM 352 CD2 TYR A 39 19.811 40.548 -1.264 1.00 36.84 C ATOM 353 CE1 TYR A 39 21.074 38.137 -0.738 1.00 36.22 C ATOM 354 CE2 TYR A 39 20.864 40.108 -2.089 1.00 36.29 C ATOM 355 CZ TYR A 39 21.490 38.901 -1.815 1.00 36.89 C ATOM 356 OH TYR A 39 22.515 38.426 -2.619 1.00 37.06 O ATOM 357 HH TYR A 39 22.833 37.557 -2.267 1.00 0.00 H ATOM 358 H TYR A 39 17.039 39.465 -1.334 1.00 0.00 H ATOM 359 N GLY A 40 15.958 39.401 2.972 1.00 42.48 N ATOM 360 CA GLY A 40 14.953 39.783 3.979 1.00 44.08 C ATOM 361 C GLY A 40 13.600 39.096 3.829 1.00 45.14 C ATOM 362 O GLY A 40 12.647 39.443 4.530 1.00 47.91 O ATOM 363 H GLY A 40 16.705 38.738 3.262 1.00 0.00 H ATOM 364 N GLN A 41 13.504 38.136 2.915 1.00 44.11 N ATOM 365 CA GLN A 41 12.263 37.392 2.644 1.00 44.05 C ATOM 366 C GLN A 41 12.541 35.908 2.547 1.00 43.00 C ATOM 367 O GLN A 41 11.830 35.085 3.117 1.00 44.27 O ATOM 368 CB GLN A 41 11.651 37.815 1.288 1.00 43.06 C ATOM 369 CG GLN A 41 10.729 39.016 1.344 1.00 43.60 C ATOM 370 CD GLN A 41 10.047 39.329 0.024 1.00 43.81 C ATOM 371 OE1 GLN A 41 9.817 40.494 -0.282 1.00 49.49 O ATOM 372 NE2 GLN A 41 9.693 38.307 -0.749 1.00 43.12 N ATOM 373 HE22 GLN A 41 9.907 37.333 -0.453 1.00 0.00 H ATOM 374 HE21 GLN A 41 9.203 38.481 -1.649 1.00 0.00 H ATOM 375 H GLN A 41 14.351 37.897 2.361 1.00 0.00 H ATOM 376 N SER A 42 13.536 35.576 1.731 1.00 41.25 N ATOM 377 CA SER A 42 13.973 34.201 1.519 1.00 39.84 C ATOM 378 C SER A 42 15.113 33.915 2.496 1.00 39.95 C ATOM 379 O SER A 42 16.168 34.583 2.482 1.00 38.57 O ATOM 380 CB SER A 42 14.422 34.039 0.066 1.00 38.87 C ATOM 381 OG SER A 42 15.142 32.843 -0.180 1.00 40.35 O ATOM 382 HG SER A 42 14.572 32.064 0.041 1.00 0.00 H ATOM 383 H SER A 42 14.028 36.335 1.218 1.00 0.00 H ATOM 384 N VAL A 43 14.904 32.925 3.357 1.00 40.23 N ATOM 385 CA VAL A 43 15.973 32.492 4.234 1.00 40.80 C ATOM 386 C VAL A 43 17.177 31.949 3.449 1.00 39.39 C ATOM 387 O VAL A 43 18.317 32.136 3.872 1.00 38.88 O ATOM 388 CB VAL A 43 15.483 31.502 5.314 1.00 42.77 C ATOM 389 CG1 VAL A 43 15.128 30.122 4.726 1.00 41.88 C ATOM 390 CG2 VAL A 43 16.543 31.380 6.387 1.00 44.36 C ATOM 391 H VAL A 43 13.974 32.461 3.401 1.00 0.00 H ATOM 392 N ALA A 44 16.920 31.343 2.287 1.00 38.40 N ATOM 393 CA ALA A 44 17.960 30.770 1.422 1.00 37.83 C ATOM 394 C ALA A 44 18.870 31.841 0.843 1.00 37.40 C ATOM 395 O ALA A 44 20.089 31.702 0.877 1.00 37.66 O ATOM 396 CB ALA A 44 17.327 29.997 0.292 1.00 37.47 C ATOM 397 H ALA A 44 15.930 31.273 1.978 1.00 0.00 H ATOM 398 N ALA A 45 18.263 32.882 0.268 1.00 37.34 N ATOM 399 CA ALA A 45 18.974 34.110 -0.105 1.00 37.24 C ATOM 400 C ALA A 45 19.793 34.682 1.053 1.00 38.18 C ATOM 401 O ALA A 45 20.936 35.090 0.848 1.00 38.90 O ATOM 402 CB ALA A 45 18.001 35.180 -0.607 1.00 36.95 C ATOM 403 H ALA A 45 17.243 32.820 0.076 1.00 0.00 H ATOM 404 N ASP A 46 19.222 34.731 2.250 1.00 38.42 N ATOM 405 CA ASP A 46 19.844 35.466 3.342 1.00 39.73 C ATOM 406 C ASP A 46 21.079 34.703 3.832 1.00 40.66 C ATOM 407 O ASP A 46 22.094 35.311 4.122 1.00 41.83 O ATOM 408 CB ASP A 46 18.877 35.708 4.489 1.00 41.08 C ATOM 409 CG ASP A 46 17.908 36.869 4.232 1.00 43.62 C ATOM 410 OD1 ASP A 46 18.218 37.764 3.423 1.00 45.93 O ATOM 411 OD2 ASP A 46 16.830 36.921 4.883 1.00 45.78 O ATOM 412 H ASP A 46 18.320 34.239 2.410 1.00 0.00 H ATOM 413 N ILE A 47 20.998 33.377 3.874 1.00 40.59 N ATOM 414 CA ILE A 47 22.124 32.514 4.246 1.00 40.76 C ATOM 415 C ILE A 47 23.256 32.651 3.222 1.00 41.01 C ATOM 416 O ILE A 47 24.441 32.706 3.587 1.00 41.51 O ATOM 417 CB ILE A 47 21.677 31.046 4.364 1.00 40.24 C ATOM 418 CG1 ILE A 47 20.773 30.865 5.581 1.00 42.23 C ATOM 419 CG2 ILE A 47 22.849 30.119 4.502 1.00 38.67 C ATOM 420 CD1 ILE A 47 20.084 29.523 5.656 1.00 40.88 C ATOM 421 H ILE A 47 20.091 32.929 3.631 1.00 0.00 H ATOM 422 N ALA A 48 22.875 32.716 1.953 1.00 40.39 N ATOM 423 CA ALA A 48 23.809 32.908 0.835 1.00 40.34 C ATOM 424 C ALA A 48 24.571 34.229 0.954 1.00 41.10 C ATOM 425 O ALA A 48 25.777 34.232 0.883 1.00 42.54 O ATOM 426 CB ALA A 48 23.058 32.858 -0.506 1.00 38.94 C ATOM 427 H ALA A 48 21.861 32.626 1.738 1.00 0.00 H ATOM 428 N ALA A 49 23.880 35.350 1.141 1.00 41.51 N ATOM 429 CA ALA A 49 24.580 36.628 1.380 1.00 42.22 C ATOM 430 C ALA A 49 25.475 36.507 2.577 1.00 43.60 C ATOM 431 O ALA A 49 26.640 36.874 2.526 1.00 44.86 O ATOM 432 CB ALA A 49 23.603 37.789 1.619 1.00 42.22 C ATOM 433 H ALA A 49 22.841 35.326 1.119 1.00 0.00 H ATOM 434 N GLU A 50 24.896 36.044 3.678 1.00 44.46 N ATOM 435 CA GLU A 50 25.625 35.870 4.926 1.00 46.06 C ATOM 436 C GLU A 50 26.889 35.042 4.733 1.00 46.38 C ATOM 437 O GLU A 50 27.927 35.356 5.302 1.00 48.79 O ATOM 438 CB GLU A 50 24.729 35.212 5.968 1.00 46.78 C ATOM 439 CG GLU A 50 23.674 36.139 6.545 1.00 47.20 C ATOM 440 CD GLU A 50 22.613 35.406 7.351 1.00 47.05 C ATOM 441 OE1 GLU A 50 22.852 34.259 7.760 1.00 50.19 O ATOM 442 OE2 GLU A 50 21.533 35.968 7.608 1.00 45.93 O ATOM 443 H GLU A 50 23.886 35.797 3.648 1.00 0.00 H ATOM 444 N ALA A 51 26.800 34.004 3.918 1.00 45.27 N ATOM 445 CA ALA A 51 27.938 33.138 3.642 1.00 46.18 C ATOM 446 C ALA A 51 29.078 33.852 2.911 1.00 46.76 C ATOM 447 O ALA A 51 30.237 33.515 3.117 1.00 47.83 O ATOM 448 CB ALA A 51 27.498 31.914 2.841 1.00 44.92 C ATOM 449 H ALA A 51 25.889 33.800 3.460 1.00 0.00 H ATOM 450 N LEU A 52 28.745 34.805 2.039 1.00 46.73 N ATOM 451 CA LEU A 52 29.760 35.584 1.324 1.00 47.63 C ATOM 452 C LEU A 52 30.474 36.597 2.223 1.00 49.66 C ATOM 453 O LEU A 52 31.493 37.193 1.814 1.00 49.95 O ATOM 454 CB LEU A 52 29.142 36.320 0.131 1.00 46.45 C ATOM 455 CG LEU A 52 28.871 35.431 -1.058 1.00 45.51 C ATOM 456 CD1 LEU A 52 28.147 36.240 -2.132 1.00 45.96 C ATOM 457 CD2 LEU A 52 30.174 34.823 -1.578 1.00 44.61 C ATOM 458 H LEU A 52 27.739 35.000 1.862 1.00 0.00 H ATOM 459 N HIS A 53 29.913 36.807 3.417 1.00 50.53 N ATOM 460 CA HIS A 53 30.522 37.631 4.444 1.00 52.49 C ATOM 461 C HIS A 53 31.178 36.785 5.511 1.00 53.43 C ATOM 462 O HIS A 53 31.337 37.224 6.649 1.00 55.56 O ATOM 463 CB HIS A 53 29.464 38.547 5.065 1.00 53.14 C ATOM 464 CG HIS A 53 28.889 39.521 4.090 1.00 54.74 C ATOM 465 ND1 HIS A 53 27.963 39.156 3.138 1.00 56.83 N ATOM 466 CD2 HIS A 53 29.144 40.836 3.885 1.00 59.09 C ATOM 467 CE1 HIS A 53 27.652 40.208 2.401 1.00 57.17 C ATOM 468 NE2 HIS A 53 28.363 41.238 2.828 1.00 60.02 N ATOM 469 H HIS A 53 28.997 36.359 3.620 1.00 0.00 H ATOM 470 N GLY A 54 31.553 35.564 5.158 1.00 52.49 N ATOM 471 CA GLY A 54 32.374 34.743 6.046 1.00 53.61 C ATOM 472 C GLY A 54 31.631 33.979 7.127 1.00 53.57 C ATOM 473 O GLY A 54 32.275 33.325 7.959 1.00 55.18 O ATOM 474 H GLY A 54 31.259 35.184 4.236 1.00 0.00 H ATOM 475 N GLU A 55 30.293 34.070 7.135 1.00 51.31 N ATOM 476 CA GLU A 55 29.471 33.248 8.027 1.00 50.44 C ATOM 477 C GLU A 55 29.242 31.848 7.427 1.00 47.62 C ATOM 478 O GLU A 55 29.528 31.586 6.236 1.00 45.75 O ATOM 479 CB GLU A 55 28.109 33.891 8.336 1.00 50.25 C ATOM 480 CG GLU A 55 28.130 35.333 8.886 1.00 53.28 C ATOM 481 CD GLU A 55 28.660 35.455 10.301 1.00 59.18 C ATOM 482 OE1 GLU A 55 28.683 34.438 11.038 1.00 61.94 O ATOM 483 OE2 GLU A 55 29.052 36.585 10.689 1.00 61.38 O ATOM 484 H GLU A 55 29.827 34.741 6.492 1.00 0.00 H ATOM 485 N HIS A 56 28.742 30.962 8.292 1.00 46.05 N ATOM 486 CA HIS A 56 28.311 29.619 7.931 1.00 44.05 C ATOM 487 C HIS A 56 29.457 28.768 7.442 1.00 43.64 C ATOM 488 O HIS A 56 29.350 28.121 6.398 1.00 41.75 O ATOM 489 CB HIS A 56 27.181 29.635 6.883 1.00 41.72 C ATOM 490 CG HIS A 56 26.059 30.557 7.225 1.00 39.48 C ATOM 491 ND1 HIS A 56 25.365 30.479 8.412 1.00 39.91 N ATOM 492 CD2 HIS A 56 25.512 31.581 6.538 1.00 36.45 C ATOM 493 CE1 HIS A 56 24.439 31.417 8.442 1.00 40.38 C ATOM 494 NE2 HIS A 56 24.515 32.107 7.322 1.00 38.58 N ATOM 495 H HIS A 56 28.655 31.250 9.288 1.00 0.00 H ATOM 496 N GLY A 57 30.543 28.776 8.217 1.00 44.61 N ATOM 497 CA GLY A 57 31.686 27.911 7.989 1.00 45.23 C ATOM 498 C GLY A 57 32.210 27.965 6.571 1.00 44.24 C ATOM 499 O GLY A 57 32.447 29.053 6.051 1.00 42.19 O ATOM 500 H GLY A 57 30.572 29.433 9.023 1.00 0.00 H ATOM 501 N ASP A 58 32.337 26.790 5.944 1.00 44.67 N ATOM 502 CA ASP A 58 32.889 26.664 4.580 1.00 44.50 C ATOM 503 C ASP A 58 31.854 26.737 3.433 1.00 43.09 C ATOM 504 O ASP A 58 32.144 26.316 2.315 1.00 43.00 O ATOM 505 CB ASP A 58 33.697 25.351 4.469 1.00 45.95 C ATOM 506 CG ASP A 58 32.825 24.084 4.586 1.00 47.61 C ATOM 507 OD1 ASP A 58 31.596 24.199 4.797 1.00 48.70 O ATOM 508 OD2 ASP A 58 33.377 22.968 4.476 1.00 49.67 O ATOM 509 H ASP A 58 32.034 25.927 6.439 1.00 0.00 H ATOM 510 N LEU A 59 30.668 27.292 3.671 1.00 43.18 N ATOM 511 CA LEU A 59 29.599 27.283 2.633 1.00 42.11 C ATOM 512 C LEU A 59 29.988 27.978 1.309 1.00 41.68 C ATOM 513 O LEU A 59 29.840 27.411 0.225 1.00 40.46 O ATOM 514 CB LEU A 59 28.328 27.878 3.222 1.00 42.08 C ATOM 515 CG LEU A 59 27.009 27.936 2.426 1.00 42.48 C ATOM 516 CD1 LEU A 59 26.929 26.916 1.292 1.00 41.52 C ATOM 517 CD2 LEU A 59 25.808 27.789 3.392 1.00 42.60 C ATOM 518 H LEU A 59 30.485 27.737 4.593 1.00 0.00 H ATOM 519 N ALA A 60 30.503 29.200 1.424 1.00 43.03 N ATOM 520 CA ALA A 60 30.976 30.023 0.284 1.00 42.66 C ATOM 521 C ALA A 60 32.021 29.356 -0.597 1.00 43.11 C ATOM 522 O ALA A 60 32.215 29.786 -1.731 1.00 43.70 O ATOM 523 CB ALA A 60 31.543 31.362 0.795 1.00 43.28 C ATOM 524 H ALA A 60 30.579 29.606 2.379 1.00 0.00 H ATOM 525 N SER A 61 32.681 28.319 -0.093 1.00 44.07 N ATOM 526 CA SER A 61 33.703 27.628 -0.858 1.00 45.07 C ATOM 527 C SER A 61 33.132 26.748 -1.955 1.00 44.24 C ATOM 528 O SER A 61 33.857 26.328 -2.838 1.00 46.04 O ATOM 529 CB SER A 61 34.601 26.781 0.063 1.00 47.19 C ATOM 530 OG SER A 61 34.002 25.527 0.408 1.00 47.94 O ATOM 531 HG SER A 61 33.147 25.690 0.880 1.00 0.00 H ATOM 532 H SER A 61 32.461 27.995 0.870 1.00 0.00 H ATOM 533 N SER A 62 31.855 26.416 -1.890 1.00 43.26 N ATOM 534 CA SER A 62 31.234 25.610 -2.939 1.00 42.22 C ATOM 535 C SER A 62 30.404 26.498 -3.825 1.00 40.39 C ATOM 536 O SER A 62 29.469 27.149 -3.359 1.00 40.66 O ATOM 537 CB SER A 62 30.328 24.554 -2.358 1.00 42.38 C ATOM 538 OG SER A 62 29.596 23.932 -3.405 1.00 41.89 O ATOM 539 HG SER A 62 29.001 23.239 -3.023 1.00 0.00 H ATOM 540 H SER A 62 31.284 26.733 -1.081 1.00 0.00 H ATOM 541 N VAL A 63 30.727 26.508 -5.109 1.00 39.29 N ATOM 542 CA VAL A 63 29.989 27.317 -6.064 1.00 37.18 C ATOM 543 C VAL A 63 28.577 26.772 -6.219 1.00 35.87 C ATOM 544 O VAL A 63 27.599 27.526 -6.163 1.00 34.95 O ATOM 545 CB VAL A 63 30.697 27.366 -7.419 1.00 37.17 C ATOM 546 CG1 VAL A 63 29.817 28.086 -8.427 1.00 36.69 C ATOM 547 CG2 VAL A 63 32.073 28.089 -7.269 1.00 37.38 C ATOM 548 H VAL A 63 31.523 25.926 -5.440 1.00 0.00 H ATOM 549 N TYR A 64 28.488 25.459 -6.388 1.00 36.26 N ATOM 550 CA TYR A 64 27.228 24.760 -6.484 1.00 36.01 C ATOM 551 C TYR A 64 26.353 24.908 -5.226 1.00 35.92 C ATOM 552 O TYR A 64 25.119 24.929 -5.315 1.00 35.14 O ATOM 553 CB TYR A 64 27.469 23.288 -6.799 1.00 37.29 C ATOM 554 CG TYR A 64 27.841 23.047 -8.246 1.00 39.27 C ATOM 555 CD1 TYR A 64 29.144 23.293 -8.713 1.00 41.82 C ATOM 556 CD2 TYR A 64 26.899 22.583 -9.164 1.00 39.94 C ATOM 557 CE1 TYR A 64 29.485 23.078 -10.046 1.00 40.91 C ATOM 558 CE2 TYR A 64 27.239 22.364 -10.513 1.00 39.83 C ATOM 559 CZ TYR A 64 28.530 22.618 -10.942 1.00 41.16 C ATOM 560 OH TYR A 64 28.869 22.393 -12.276 1.00 42.73 O ATOM 561 HH TYR A 64 29.822 22.623 -12.416 1.00 0.00 H ATOM 562 H TYR A 64 29.367 24.907 -6.454 1.00 0.00 H ATOM 563 N ALA A 65 26.965 25.029 -4.062 1.00 36.39 N ATOM 564 CA ALA A 65 26.166 25.268 -2.858 1.00 36.90 C ATOM 565 C ALA A 65 25.495 26.641 -2.912 1.00 35.65 C ATOM 566 O ALA A 65 24.286 26.776 -2.635 1.00 35.77 O ATOM 567 CB ALA A 65 27.034 25.135 -1.587 1.00 38.39 C ATOM 568 H ALA A 65 28.001 24.956 -4.001 1.00 0.00 H ATOM 569 N MET A 66 26.280 27.663 -3.259 1.00 34.80 N ATOM 570 CA MET A 66 25.757 29.018 -3.416 1.00 33.02 C ATOM 571 C MET A 66 24.723 29.049 -4.521 1.00 31.38 C ATOM 572 O MET A 66 23.639 29.562 -4.348 1.00 30.38 O ATOM 573 CB MET A 66 26.883 30.006 -3.741 1.00 34.14 C ATOM 574 CG MET A 66 27.963 30.207 -2.647 1.00 34.96 C ATOM 575 SD MET A 66 27.327 30.960 -1.138 1.00 40.82 S ATOM 576 CE MET A 66 26.749 32.592 -1.668 1.00 36.99 C ATOM 577 H MET A 66 27.292 27.490 -3.422 1.00 0.00 H ATOM 578 N ALA A 67 25.058 28.466 -5.665 1.00 31.50 N ATOM 579 CA ALA A 67 24.114 28.357 -6.768 1.00 30.34 C ATOM 580 C ALA A 67 22.798 27.718 -6.345 1.00 30.39 C ATOM 581 O ALA A 67 21.712 28.162 -6.744 1.00 30.88 O ATOM 582 CB ALA A 67 24.739 27.558 -7.881 1.00 30.35 C ATOM 583 H ALA A 67 26.017 28.078 -5.776 1.00 0.00 H ATOM 584 N THR A 68 22.873 26.641 -5.573 1.00 31.69 N ATOM 585 CA THR A 68 21.659 25.952 -5.098 1.00 31.55 C ATOM 586 C THR A 68 20.804 26.878 -4.197 1.00 31.34 C ATOM 587 O THR A 68 19.582 26.921 -4.329 1.00 31.72 O ATOM 588 CB THR A 68 22.016 24.624 -4.370 1.00 32.66 C ATOM 589 OG1 THR A 68 22.684 23.729 -5.278 1.00 32.54 O ATOM 590 CG2 THR A 68 20.770 23.905 -3.839 1.00 32.45 C ATOM 591 HG1 THR A 68 23.515 24.154 -5.607 1.00 0.00 H ATOM 592 H THR A 68 23.807 26.276 -5.298 1.00 0.00 H ATOM 593 N LEU A 69 21.439 27.603 -3.273 1.00 31.14 N ATOM 594 CA LEU A 69 20.705 28.497 -2.395 1.00 30.75 C ATOM 595 C LEU A 69 19.969 29.541 -3.231 1.00 30.48 C ATOM 596 O LEU A 69 18.794 29.812 -3.008 1.00 30.93 O ATOM 597 CB LEU A 69 21.608 29.176 -1.369 1.00 30.56 C ATOM 598 CG LEU A 69 22.134 28.286 -0.247 1.00 31.87 C ATOM 599 CD1 LEU A 69 23.140 29.056 0.622 1.00 33.99 C ATOM 600 CD2 LEU A 69 21.005 27.678 0.641 1.00 34.64 C ATOM 601 H LEU A 69 22.472 27.527 -3.181 1.00 0.00 H ATOM 602 N PHE A 70 20.640 30.114 -4.217 1.00 30.41 N ATOM 603 CA PHE A 70 19.965 31.102 -5.036 1.00 30.00 C ATOM 604 C PHE A 70 18.839 30.524 -5.871 1.00 29.55 C ATOM 605 O PHE A 70 17.858 31.203 -6.086 1.00 29.51 O ATOM 606 CB PHE A 70 20.947 31.902 -5.887 1.00 30.23 C ATOM 607 CG PHE A 70 21.863 32.773 -5.085 1.00 30.15 C ATOM 608 CD1 PHE A 70 21.359 33.705 -4.208 1.00 29.90 C ATOM 609 CD2 PHE A 70 23.234 32.665 -5.208 1.00 29.59 C ATOM 610 CE1 PHE A 70 22.219 34.509 -3.471 1.00 29.15 C ATOM 611 CE2 PHE A 70 24.089 33.504 -4.478 1.00 28.73 C ATOM 612 CZ PHE A 70 23.571 34.396 -3.606 1.00 28.58 C ATOM 613 H PHE A 70 21.632 29.861 -4.401 1.00 0.00 H ATOM 614 N ALA A 71 18.964 29.271 -6.294 1.00 29.87 N ATOM 615 CA ALA A 71 17.899 28.574 -6.991 1.00 29.80 C ATOM 616 C ALA A 71 16.662 28.325 -6.100 1.00 30.86 C ATOM 617 O ALA A 71 15.533 28.374 -6.558 1.00 30.38 O ATOM 618 CB ALA A 71 18.445 27.203 -7.530 1.00 30.61 C ATOM 619 H ALA A 71 19.859 28.771 -6.119 1.00 0.00 H ATOM 620 N LEU A 72 16.899 27.988 -4.839 1.00 32.14 N ATOM 621 CA LEU A 72 15.821 27.676 -3.900 1.00 33.32 C ATOM 622 C LEU A 72 15.061 28.948 -3.578 1.00 32.93 C ATOM 623 O LEU A 72 13.851 28.920 -3.418 1.00 33.90 O ATOM 624 CB LEU A 72 16.365 27.016 -2.620 1.00 34.13 C ATOM 625 CG LEU A 72 16.931 25.597 -2.767 1.00 35.45 C ATOM 626 CD1 LEU A 72 17.571 25.058 -1.456 1.00 34.60 C ATOM 627 CD2 LEU A 72 15.834 24.640 -3.284 1.00 37.82 C ATOM 628 H LEU A 72 17.884 27.944 -4.507 1.00 0.00 H ATOM 629 N ASP A 73 15.778 30.056 -3.512 1.00 32.25 N ATOM 630 CA ASP A 73 15.143 31.353 -3.428 1.00 32.69 C ATOM 631 C ASP A 73 14.172 31.597 -4.614 1.00 31.97 C ATOM 632 O ASP A 73 12.984 31.766 -4.410 1.00 33.12 O ATOM 633 CB ASP A 73 16.191 32.472 -3.315 1.00 32.19 C ATOM 634 CG ASP A 73 15.568 33.857 -3.349 1.00 33.92 C ATOM 635 OD1 ASP A 73 14.403 33.949 -2.906 1.00 36.68 O ATOM 636 OD2 ASP A 73 16.221 34.836 -3.809 1.00 31.88 O ATOM 637 H ASP A 73 16.816 29.995 -3.521 1.00 0.00 H ATOM 638 N ARG A 74 14.647 31.554 -5.844 1.00 31.13 N ATOM 639 CA ARG A 74 13.749 31.729 -6.983 1.00 30.73 C ATOM 640 C ARG A 74 12.576 30.754 -6.986 1.00 31.94 C ATOM 641 O ARG A 74 11.423 31.161 -7.255 1.00 32.44 O ATOM 642 CB ARG A 74 14.526 31.628 -8.294 1.00 30.44 C ATOM 643 CG ARG A 74 15.220 32.897 -8.667 1.00 29.72 C ATOM 644 CD ARG A 74 15.933 32.754 -9.978 1.00 30.58 C ATOM 645 NE ARG A 74 17.143 31.949 -9.846 1.00 30.82 N ATOM 646 CZ ARG A 74 18.321 32.405 -9.449 1.00 28.53 C ATOM 647 NH1 ARG A 74 18.481 33.672 -9.137 1.00 30.19 N ATOM 648 NH2 ARG A 74 19.353 31.580 -9.383 1.00 31.07 N ATOM 649 HE ARG A 74 17.075 30.938 -10.082 1.00 0.00 H ATOM 650 HH12 ARG A 74 19.411 34.018 -8.827 1.00 0.00 H ATOM 651 HH11 ARG A 74 17.677 34.329 -9.201 1.00 0.00 H ATOM 652 HH22 ARG A 74 20.281 31.932 -9.072 1.00 0.00 H ATOM 653 HH21 ARG A 74 19.236 30.580 -9.642 1.00 0.00 H ATOM 654 H ARG A 74 15.662 31.395 -6.003 1.00 0.00 H ATOM 655 N ALA A 75 12.845 29.487 -6.676 1.00 31.91 N ATOM 656 CA ALA A 75 11.797 28.461 -6.648 1.00 33.96 C ATOM 657 C ALA A 75 10.680 28.775 -5.665 1.00 35.55 C ATOM 658 O ALA A 75 9.497 28.478 -5.922 1.00 37.37 O ATOM 659 CB ALA A 75 12.382 27.050 -6.330 1.00 34.09 C ATOM 660 H ALA A 75 13.823 29.218 -6.448 1.00 0.00 H ATOM 661 N GLY A 76 11.030 29.365 -4.533 1.00 35.81 N ATOM 662 CA GLY A 76 10.005 29.749 -3.567 1.00 36.21 C ATOM 663 C GLY A 76 9.071 30.805 -4.160 1.00 35.64 C ATOM 664 O GLY A 76 7.891 30.881 -3.772 1.00 35.80 O ATOM 665 H GLY A 76 12.033 29.555 -4.332 1.00 0.00 H ATOM 666 N ALA A 77 9.595 31.588 -5.112 1.00 33.24 N ATOM 667 CA ALA A 77 8.830 32.638 -5.806 1.00 32.49 C ATOM 668 C ALA A 77 8.097 32.184 -7.083 1.00 32.30 C ATOM 669 O ALA A 77 7.437 32.976 -7.705 1.00 32.43 O ATOM 670 CB ALA A 77 9.753 33.812 -6.150 1.00 30.88 C ATOM 671 H ALA A 77 10.592 31.448 -5.374 1.00 0.00 H ATOM 672 N VAL A 78 8.180 30.918 -7.451 1.00 32.46 N ATOM 673 CA VAL A 78 7.712 30.466 -8.752 1.00 32.57 C ATOM 674 C VAL A 78 6.225 30.757 -8.929 1.00 33.09 C ATOM 675 O VAL A 78 5.782 31.175 -9.987 1.00 33.41 O ATOM 676 CB VAL A 78 8.037 28.969 -9.006 1.00 32.99 C ATOM 677 CG1 VAL A 78 7.442 28.055 -7.861 1.00 35.52 C ATOM 678 CG2 VAL A 78 7.463 28.520 -10.341 1.00 33.21 C ATOM 679 H VAL A 78 8.591 30.226 -6.793 1.00 0.00 H ATOM 680 N HIS A 79 5.460 30.600 -7.871 1.00 34.69 N ATOM 681 CA HIS A 79 3.998 30.873 -7.923 1.00 35.04 C ATOM 682 C HIS A 79 3.648 32.358 -8.017 1.00 35.14 C ATOM 683 O HIS A 79 2.681 32.745 -8.704 1.00 35.56 O ATOM 684 CB HIS A 79 3.345 30.245 -6.719 1.00 36.59 C ATOM 685 CG HIS A 79 3.668 28.792 -6.571 1.00 36.30 C ATOM 686 ND1 HIS A 79 3.323 27.860 -7.524 1.00 39.25 N ATOM 687 CD2 HIS A 79 4.291 28.108 -5.581 1.00 37.03 C ATOM 688 CE1 HIS A 79 3.727 26.662 -7.133 1.00 39.66 C ATOM 689 NE2 HIS A 79 4.324 26.787 -5.960 1.00 39.18 N ATOM 690 H HIS A 79 5.886 30.278 -6.979 1.00 0.00 H ATOM 691 N THR A 80 4.437 33.195 -7.340 1.00 34.36 N ATOM 692 CA THR A 80 4.317 34.636 -7.465 1.00 34.42 C ATOM 693 C THR A 80 4.611 35.022 -8.930 1.00 32.88 C ATOM 694 O THR A 80 3.816 35.666 -9.583 1.00 33.39 O ATOM 695 CB THR A 80 5.286 35.398 -6.494 1.00 34.14 C ATOM 696 OG1 THR A 80 5.003 35.044 -5.145 1.00 35.69 O ATOM 697 CG2 THR A 80 5.180 36.929 -6.656 1.00 33.41 C ATOM 698 HG1 THR A 80 4.068 35.288 -4.930 1.00 0.00 H ATOM 699 H THR A 80 5.160 32.803 -6.703 1.00 0.00 H ATOM 700 N ILE A 81 5.723 34.568 -9.467 1.00 32.86 N ATOM 701 CA ILE A 81 6.079 34.880 -10.869 1.00 32.35 C ATOM 702 C ILE A 81 4.941 34.555 -11.834 1.00 34.56 C ATOM 703 O ILE A 81 4.526 35.420 -12.636 1.00 35.28 O ATOM 704 CB ILE A 81 7.350 34.142 -11.323 1.00 31.17 C ATOM 705 CG1 ILE A 81 8.553 34.670 -10.543 1.00 29.96 C ATOM 706 CG2 ILE A 81 7.583 34.335 -12.849 1.00 30.10 C ATOM 707 CD1 ILE A 81 9.858 33.844 -10.717 1.00 27.12 C ATOM 708 H ILE A 81 6.363 33.980 -8.896 1.00 0.00 H ATOM 709 N GLN A 82 4.435 33.320 -11.752 1.00 36.32 N ATOM 710 CA GLN A 82 3.376 32.845 -12.653 1.00 38.30 C ATOM 711 C GLN A 82 2.129 33.651 -12.419 1.00 39.36 C ATOM 712 O GLN A 82 1.379 33.899 -13.360 1.00 41.18 O ATOM 713 CB GLN A 82 3.105 31.325 -12.475 1.00 39.99 C ATOM 714 CG GLN A 82 4.224 30.456 -13.080 1.00 41.52 C ATOM 715 CD GLN A 82 4.089 28.940 -12.833 1.00 47.28 C ATOM 716 OE1 GLN A 82 3.323 28.476 -11.969 1.00 49.34 O ATOM 717 NE2 GLN A 82 4.868 28.163 -13.593 1.00 49.38 N ATOM 718 HE22 GLN A 82 5.494 28.592 -14.304 1.00 0.00 H ATOM 719 HE21 GLN A 82 4.848 27.130 -13.473 1.00 0.00 H ATOM 720 H GLN A 82 4.804 32.673 -11.026 1.00 0.00 H ATOM 721 N GLY A 83 1.901 34.057 -11.168 1.00 39.55 N ATOM 722 CA GLY A 83 0.744 34.892 -10.821 1.00 40.01 C ATOM 723 C GLY A 83 0.855 36.262 -11.448 1.00 39.37 C ATOM 724 O GLY A 83 -0.104 36.759 -11.999 1.00 39.99 O ATOM 725 H GLY A 83 2.562 33.774 -10.417 1.00 0.00 H ATOM 726 N LEU A 84 2.042 36.869 -11.391 1.00 38.47 N ATOM 727 CA LEU A 84 2.242 38.196 -11.999 1.00 38.49 C ATOM 728 C LEU A 84 2.138 38.127 -13.522 1.00 37.87 C ATOM 729 O LEU A 84 1.636 39.031 -14.132 1.00 38.38 O ATOM 730 CB LEU A 84 3.583 38.813 -11.576 1.00 37.04 C ATOM 731 CG LEU A 84 3.744 39.120 -10.069 1.00 38.48 C ATOM 732 CD1 LEU A 84 5.240 39.407 -9.759 1.00 35.17 C ATOM 733 CD2 LEU A 84 2.792 40.267 -9.604 1.00 35.57 C ATOM 734 H LEU A 84 2.836 36.399 -10.911 1.00 0.00 H ATOM 735 N CYS A 85 2.574 37.032 -14.119 1.00 38.18 N ATOM 736 CA CYS A 85 2.450 36.835 -15.565 1.00 39.01 C ATOM 737 C CYS A 85 1.009 36.733 -16.068 1.00 42.17 C ATOM 738 O CYS A 85 0.731 37.095 -17.228 1.00 43.66 O ATOM 739 CB CYS A 85 3.237 35.618 -16.006 1.00 38.11 C ATOM 740 SG CYS A 85 5.026 35.831 -15.884 1.00 37.17 S ATOM 741 H CYS A 85 3.019 36.288 -13.545 1.00 0.00 H ATOM 742 N ARG A 86 0.104 36.248 -15.211 1.00 43.37 N ATOM 743 CA ARG A 86 -1.313 36.263 -15.506 1.00 45.35 C ATOM 744 C ARG A 86 -1.932 37.631 -15.209 1.00 45.51 C ATOM 745 O ARG A 86 -2.903 38.040 -15.863 1.00 46.42 O ATOM 746 CB ARG A 86 -2.054 35.155 -14.712 1.00 46.95 C ATOM 747 CG ARG A 86 -1.528 33.725 -14.996 1.00 49.41 C ATOM 748 CD ARG A 86 -2.384 32.634 -14.288 1.00 55.79 C ATOM 749 NE ARG A 86 -2.595 32.912 -12.855 1.00 57.85 N ATOM 750 CZ ARG A 86 -1.905 32.381 -11.835 1.00 57.59 C ATOM 751 NH1 ARG A 86 -0.912 31.498 -12.034 1.00 54.60 N ATOM 752 NH2 ARG A 86 -2.216 32.746 -10.584 1.00 58.35 N ATOM 753 HE ARG A 86 -3.351 33.584 -12.612 1.00 0.00 H ATOM 754 HH12 ARG A 86 -0.396 31.104 -11.222 1.00 0.00 H ATOM 755 HH11 ARG A 86 -0.660 31.208 -13.000 1.00 0.00 H ATOM 756 HH22 ARG A 86 -1.692 32.345 -9.780 1.00 0.00 H ATOM 757 HH21 ARG A 86 -2.981 33.430 -10.417 1.00 0.00 H ATOM 758 H ARG A 86 0.428 35.849 -14.307 1.00 0.00 H ATOM 759 N GLY A 87 -1.401 38.345 -14.224 1.00 43.99 N ATOM 760 CA GLY A 87 -2.053 39.581 -13.775 1.00 44.69 C ATOM 761 C GLY A 87 -1.654 40.858 -14.538 1.00 43.97 C ATOM 762 O GLY A 87 -2.331 41.885 -14.431 1.00 44.85 O ATOM 763 H GLY A 87 -0.521 38.028 -13.769 1.00 0.00 H ATOM 764 N TYR A 88 -0.557 40.790 -15.288 1.00 41.03 N ATOM 765 CA TYR A 88 0.038 41.948 -15.912 1.00 40.19 C ATOM 766 C TYR A 88 0.556 41.596 -17.296 1.00 38.89 C ATOM 767 O TYR A 88 1.034 40.481 -17.553 1.00 37.74 O ATOM 768 CB TYR A 88 1.237 42.392 -15.064 1.00 39.59 C ATOM 769 CG TYR A 88 0.861 42.925 -13.693 1.00 40.67 C ATOM 770 CD1 TYR A 88 0.593 42.061 -12.637 1.00 41.02 C ATOM 771 CD2 TYR A 88 0.804 44.287 -13.457 1.00 41.73 C ATOM 772 CE1 TYR A 88 0.264 42.538 -11.394 1.00 43.24 C ATOM 773 CE2 TYR A 88 0.477 44.782 -12.206 1.00 43.76 C ATOM 774 CZ TYR A 88 0.200 43.902 -11.180 1.00 45.88 C ATOM 775 OH TYR A 88 -0.149 44.386 -9.932 1.00 51.18 O ATOM 776 HH TYR A 88 -0.313 43.626 -9.319 1.00 0.00 H ATOM 777 H TYR A 88 -0.109 39.862 -15.431 1.00 0.00 H ATOM 778 N ASP A 89 0.513 42.567 -18.177 1.00 38.96 N ATOM 779 CA ASP A 89 1.028 42.395 -19.529 1.00 38.50 C ATOM 780 C ASP A 89 2.508 42.011 -19.555 1.00 36.76 C ATOM 781 O ASP A 89 2.926 41.093 -20.276 1.00 37.10 O ATOM 782 CB ASP A 89 0.821 43.687 -20.317 1.00 38.95 C ATOM 783 CG ASP A 89 -0.655 44.052 -20.476 1.00 41.27 C ATOM 784 OD1 ASP A 89 -1.515 43.148 -20.494 1.00 43.39 O ATOM 785 OD2 ASP A 89 -0.958 45.261 -20.576 1.00 44.69 O ATOM 786 H ASP A 89 0.101 43.482 -17.904 1.00 0.00 H ATOM 787 N VAL A 90 3.300 42.732 -18.785 1.00 35.08 N ATOM 788 CA VAL A 90 4.753 42.585 -18.806 1.00 33.15 C ATOM 789 C VAL A 90 5.211 42.383 -17.379 1.00 32.47 C ATOM 790 O VAL A 90 4.800 43.121 -16.471 1.00 33.01 O ATOM 791 CB VAL A 90 5.417 43.869 -19.367 1.00 33.73 C ATOM 792 CG1 VAL A 90 6.965 43.825 -19.229 1.00 32.12 C ATOM 793 CG2 VAL A 90 4.991 44.110 -20.822 1.00 30.62 C ATOM 794 H VAL A 90 2.875 43.429 -18.141 1.00 0.00 H ATOM 795 N VAL A 91 6.017 41.355 -17.157 1.00 31.33 N ATOM 796 CA VAL A 91 6.618 41.129 -15.862 1.00 29.77 C ATOM 797 C VAL A 91 8.135 41.249 -16.047 1.00 28.80 C ATOM 798 O VAL A 91 8.714 40.562 -16.883 1.00 28.72 O ATOM 799 CB VAL A 91 6.232 39.763 -15.278 1.00 29.86 C ATOM 800 CG1 VAL A 91 7.076 39.451 -14.048 1.00 28.52 C ATOM 801 CG2 VAL A 91 4.725 39.716 -14.945 1.00 28.53 C ATOM 802 H VAL A 91 6.222 40.694 -17.934 1.00 0.00 H ATOM 803 N ILE A 92 8.768 42.110 -15.256 1.00 28.92 N ATOM 804 CA ILE A 92 10.210 42.388 -15.388 1.00 28.15 C ATOM 805 C ILE A 92 10.901 41.953 -14.138 1.00 28.06 C ATOM 806 O ILE A 92 10.554 42.400 -13.059 1.00 29.88 O ATOM 807 CB ILE A 92 10.517 43.894 -15.627 1.00 27.92 C ATOM 808 CG1 ILE A 92 9.766 44.425 -16.845 1.00 27.98 C ATOM 809 CG2 ILE A 92 12.049 44.105 -15.881 1.00 27.89 C ATOM 810 CD1 ILE A 92 9.703 46.000 -16.939 1.00 30.00 C ATOM 811 H ILE A 92 8.227 42.605 -14.518 1.00 0.00 H ATOM 812 N LEU A 93 11.894 41.078 -14.276 1.00 28.62 N ATOM 813 CA LEU A 93 12.662 40.588 -13.150 1.00 28.05 C ATOM 814 C LEU A 93 14.047 41.214 -13.145 1.00 28.70 C ATOM 815 O LEU A 93 14.775 41.186 -14.129 1.00 28.85 O ATOM 816 CB LEU A 93 12.741 39.056 -13.201 1.00 28.46 C ATOM 817 CG LEU A 93 11.423 38.256 -13.302 1.00 28.37 C ATOM 818 CD1 LEU A 93 11.726 36.802 -13.359 1.00 27.64 C ATOM 819 CD2 LEU A 93 10.420 38.540 -12.145 1.00 28.54 C ATOM 820 H LEU A 93 12.128 40.733 -15.229 1.00 0.00 H ATOM 821 N ASP A 94 14.403 41.817 -12.024 1.00 29.07 N ATOM 822 CA ASP A 94 15.742 42.328 -11.815 1.00 28.36 C ATOM 823 C ASP A 94 16.590 41.159 -11.263 1.00 27.88 C ATOM 824 O ASP A 94 16.569 40.873 -10.072 1.00 26.86 O ATOM 825 CB ASP A 94 15.651 43.512 -10.846 1.00 29.50 C ATOM 826 CG ASP A 94 17.012 44.161 -10.521 1.00 29.79 C ATOM 827 OD1 ASP A 94 18.081 43.611 -10.778 1.00 32.73 O ATOM 828 OD2 ASP A 94 16.998 45.260 -9.979 1.00 36.96 O ATOM 829 H ASP A 94 13.698 41.928 -11.267 1.00 0.00 H ATOM 830 N ARG A 95 17.361 40.550 -12.162 1.00 27.60 N ATOM 831 CA ARG A 95 18.060 39.266 -11.981 1.00 27.79 C ATOM 832 C ARG A 95 17.112 38.109 -12.034 1.00 28.14 C ATOM 833 O ARG A 95 15.982 38.168 -11.494 1.00 29.42 O ATOM 834 CB ARG A 95 18.870 39.157 -10.691 1.00 28.07 C ATOM 835 CG ARG A 95 20.030 40.138 -10.579 1.00 28.05 C ATOM 836 CD ARG A 95 20.963 39.662 -9.510 1.00 29.13 C ATOM 837 NE ARG A 95 22.179 40.434 -9.434 1.00 29.96 N ATOM 838 CZ ARG A 95 23.161 40.391 -10.322 1.00 30.40 C ATOM 839 NH1 ARG A 95 23.078 39.622 -11.387 1.00 30.33 N ATOM 840 NH2 ARG A 95 24.237 41.116 -10.128 1.00 30.89 N ATOM 841 HE ARG A 95 22.293 41.072 -8.621 1.00 0.00 H ATOM 842 HH12 ARG A 95 23.858 39.600 -12.075 1.00 0.00 H ATOM 843 HH11 ARG A 95 22.232 39.036 -11.541 1.00 0.00 H ATOM 844 HH22 ARG A 95 25.014 41.089 -10.819 1.00 0.00 H ATOM 845 HH21 ARG A 95 24.313 41.717 -9.283 1.00 0.00 H ATOM 846 H ARG A 95 17.481 41.026 -13.079 1.00 0.00 H ATOM 847 N TYR A 96 17.562 37.047 -12.692 1.00 26.93 N ATOM 848 CA TYR A 96 16.752 35.852 -12.790 1.00 26.30 C ATOM 849 C TYR A 96 17.731 34.702 -12.922 1.00 25.86 C ATOM 850 O TYR A 96 18.856 34.813 -12.431 1.00 24.56 O ATOM 851 CB TYR A 96 15.747 35.956 -13.940 1.00 25.45 C ATOM 852 CG TYR A 96 14.628 34.892 -13.933 1.00 28.24 C ATOM 853 CD1 TYR A 96 13.966 34.515 -12.742 1.00 27.38 C ATOM 854 CD2 TYR A 96 14.254 34.243 -15.112 1.00 26.13 C ATOM 855 CE1 TYR A 96 12.941 33.564 -12.755 1.00 27.24 C ATOM 856 CE2 TYR A 96 13.275 33.277 -15.110 1.00 26.74 C ATOM 857 CZ TYR A 96 12.604 32.965 -13.943 1.00 27.24 C ATOM 858 OH TYR A 96 11.608 32.030 -13.991 1.00 26.54 O ATOM 859 HH TYR A 96 10.902 32.334 -14.615 1.00 0.00 H ATOM 860 H TYR A 96 18.501 37.074 -13.139 1.00 0.00 H ATOM 861 N VAL A 97 17.303 33.610 -13.556 1.00 25.97 N ATOM 862 CA VAL A 97 18.079 32.382 -13.611 1.00 25.98 C ATOM 863 C VAL A 97 19.469 32.562 -14.210 1.00 26.57 C ATOM 864 O VAL A 97 20.459 31.900 -13.786 1.00 27.82 O ATOM 865 CB VAL A 97 17.303 31.270 -14.375 1.00 26.38 C ATOM 866 CG1 VAL A 97 18.117 29.967 -14.419 1.00 26.01 C ATOM 867 CG2 VAL A 97 15.923 31.007 -13.727 1.00 24.51 C ATOM 868 H VAL A 97 16.378 33.638 -14.030 1.00 0.00 H ATOM 869 N ALA A 98 19.564 33.414 -15.218 1.00 26.68 N ATOM 870 CA ALA A 98 20.838 33.604 -15.902 1.00 27.54 C ATOM 871 C ALA A 98 21.966 34.102 -14.968 1.00 27.29 C ATOM 872 O ALA A 98 23.142 33.836 -15.205 1.00 27.50 O ATOM 873 CB ALA A 98 20.656 34.568 -17.049 1.00 28.26 C ATOM 874 H ALA A 98 18.727 33.950 -15.524 1.00 0.00 H ATOM 875 N SER A 99 21.610 34.866 -13.950 1.00 26.20 N ATOM 876 CA SER A 99 22.561 35.253 -12.920 1.00 26.33 C ATOM 877 C SER A 99 23.284 34.055 -12.296 1.00 26.24 C ATOM 878 O SER A 99 24.506 34.100 -12.026 1.00 25.89 O ATOM 879 CB SER A 99 21.853 36.029 -11.822 1.00 26.37 C ATOM 880 OG SER A 99 21.703 37.363 -12.233 1.00 28.12 O ATOM 881 HG SER A 99 21.166 37.393 -13.064 1.00 0.00 H ATOM 882 H SER A 99 20.627 35.198 -13.884 1.00 0.00 H ATOM 883 N ASN A 100 22.549 32.976 -12.081 1.00 25.63 N ATOM 884 CA ASN A 100 23.170 31.785 -11.475 1.00 26.17 C ATOM 885 C ASN A 100 24.177 31.182 -12.469 1.00 26.36 C ATOM 886 O ASN A 100 25.286 30.798 -12.110 1.00 26.65 O ATOM 887 CB ASN A 100 22.098 30.769 -11.060 1.00 25.49 C ATOM 888 CG ASN A 100 22.360 30.142 -9.708 1.00 28.56 C ATOM 889 OD1 ASN A 100 23.310 30.518 -9.014 1.00 28.97 O ATOM 890 ND2 ASN A 100 21.540 29.139 -9.334 1.00 27.29 N ATOM 891 HD22 ASN A 100 20.752 28.855 -9.950 1.00 0.00 H ATOM 892 HD21 ASN A 100 21.696 28.650 -8.430 1.00 0.00 H ATOM 893 H ASN A 100 21.541 32.969 -12.338 1.00 0.00 H ATOM 894 N ALA A 101 23.806 31.143 -13.739 1.00 26.89 N ATOM 895 CA ALA A 101 24.685 30.529 -14.771 1.00 27.53 C ATOM 896 C ALA A 101 25.969 31.336 -14.910 1.00 28.16 C ATOM 897 O ALA A 101 27.083 30.780 -14.891 1.00 30.85 O ATOM 898 CB ALA A 101 23.970 30.411 -16.090 1.00 25.82 C ATOM 899 H ALA A 101 22.889 31.546 -14.019 1.00 0.00 H ATOM 900 N ALA A 102 25.815 32.648 -14.958 1.00 27.50 N ATOM 901 CA ALA A 102 26.928 33.565 -15.170 1.00 28.55 C ATOM 902 C ALA A 102 27.921 33.615 -13.992 1.00 29.59 C ATOM 903 O ALA A 102 29.136 33.566 -14.242 1.00 31.75 O ATOM 904 CB ALA A 102 26.418 34.966 -15.494 1.00 26.34 C ATOM 905 H ALA A 102 24.860 33.042 -14.840 1.00 0.00 H ATOM 906 N TYR A 103 27.439 33.732 -12.741 1.00 28.55 N ATOM 907 CA TYR A 103 28.343 33.804 -11.590 1.00 29.49 C ATOM 908 C TYR A 103 28.986 32.455 -11.306 1.00 30.73 C ATOM 909 O TYR A 103 30.150 32.406 -10.936 1.00 31.24 O ATOM 910 CB TYR A 103 27.671 34.382 -10.345 1.00 30.36 C ATOM 911 CG TYR A 103 27.534 35.912 -10.369 1.00 31.34 C ATOM 912 CD1 TYR A 103 26.445 36.541 -10.979 1.00 32.45 C ATOM 913 CD2 TYR A 103 28.487 36.705 -9.791 1.00 33.95 C ATOM 914 CE1 TYR A 103 26.340 37.966 -11.044 1.00 32.36 C ATOM 915 CE2 TYR A 103 28.391 38.117 -9.827 1.00 36.05 C ATOM 916 CZ TYR A 103 27.305 38.743 -10.434 1.00 35.10 C ATOM 917 OH TYR A 103 27.234 40.140 -10.442 1.00 36.42 O ATOM 918 HH TYR A 103 28.024 40.507 -10.914 1.00 0.00 H ATOM 919 H TYR A 103 26.411 33.772 -12.589 1.00 0.00 H ATOM 920 N SER A 104 28.244 31.365 -11.530 1.00 30.49 N ATOM 921 CA SER A 104 28.771 30.027 -11.334 1.00 31.19 C ATOM 922 C SER A 104 29.862 29.677 -12.360 1.00 33.00 C ATOM 923 O SER A 104 30.975 29.275 -11.993 1.00 34.78 O ATOM 924 CB SER A 104 27.652 28.980 -11.386 1.00 30.85 C ATOM 925 OG SER A 104 26.675 29.184 -10.355 1.00 29.19 O ATOM 926 HG SER A 104 26.266 30.079 -10.462 1.00 0.00 H ATOM 927 H SER A 104 27.262 31.479 -11.854 1.00 0.00 H ATOM 928 N ALA A 105 29.547 29.813 -13.642 1.00 32.79 N ATOM 929 CA ALA A 105 30.541 29.537 -14.704 1.00 33.32 C ATOM 930 C ALA A 105 31.772 30.421 -14.564 1.00 33.89 C ATOM 931 O ALA A 105 32.920 29.956 -14.726 1.00 35.87 O ATOM 932 CB ALA A 105 29.919 29.710 -16.092 1.00 31.56 C ATOM 933 H ALA A 105 28.588 30.118 -13.904 1.00 0.00 H ATOM 934 N ALA A 106 31.547 31.700 -14.296 1.00 32.81 N ATOM 935 CA ALA A 106 32.659 32.643 -14.041 1.00 33.44 C ATOM 936 C ALA A 106 33.580 32.122 -12.938 1.00 34.92 C ATOM 937 O ALA A 106 34.801 32.130 -13.047 1.00 36.02 O ATOM 938 CB ALA A 106 32.092 33.991 -13.631 1.00 32.26 C ATOM 939 H ALA A 106 30.568 32.048 -14.264 1.00 0.00 H ATOM 940 N ARG A 107 32.959 31.696 -11.851 1.00 35.55 N ATOM 941 CA ARG A 107 33.675 31.258 -10.670 1.00 38.12 C ATOM 942 C ARG A 107 34.513 30.028 -10.920 1.00 38.99 C ATOM 943 O ARG A 107 35.638 29.948 -10.466 1.00 40.70 O ATOM 944 CB ARG A 107 32.658 30.936 -9.594 1.00 38.29 C ATOM 945 CG ARG A 107 32.652 31.892 -8.477 1.00 43.43 C ATOM 946 CD ARG A 107 33.548 31.329 -7.403 1.00 52.05 C ATOM 947 NE ARG A 107 34.041 32.414 -6.561 1.00 58.89 N ATOM 948 CZ ARG A 107 33.749 32.562 -5.272 1.00 63.42 C ATOM 949 NH1 ARG A 107 32.985 31.660 -4.636 1.00 64.91 N ATOM 950 NH2 ARG A 107 34.238 33.608 -4.611 1.00 64.49 N ATOM 951 HE ARG A 107 34.665 33.121 -7.000 1.00 0.00 H ATOM 952 HH12 ARG A 107 32.763 31.785 -3.628 1.00 0.00 H ATOM 953 HH11 ARG A 107 32.615 30.836 -5.151 1.00 0.00 H ATOM 954 HH22 ARG A 107 34.017 33.735 -3.603 1.00 0.00 H ATOM 955 HH21 ARG A 107 34.841 34.298 -5.103 1.00 0.00 H ATOM 956 H ARG A 107 31.919 31.675 -11.844 1.00 0.00 H ATOM 957 N LEU A 108 33.924 29.090 -11.659 1.00 38.73 N ATOM 958 CA LEU A 108 34.523 27.824 -12.003 1.00 40.52 C ATOM 959 C LEU A 108 35.418 27.928 -13.241 1.00 41.90 C ATOM 960 O LEU A 108 35.931 26.925 -13.679 1.00 42.58 O ATOM 961 CB LEU A 108 33.394 26.816 -12.261 1.00 40.00 C ATOM 962 CG LEU A 108 32.474 26.552 -11.058 1.00 39.26 C ATOM 963 CD1 LEU A 108 31.101 25.939 -11.462 1.00 38.23 C ATOM 964 CD2 LEU A 108 33.218 25.631 -10.059 1.00 40.14 C ATOM 965 H LEU A 108 32.965 29.284 -12.013 1.00 0.00 H ATOM 966 N HIS A 109 35.563 29.128 -13.825 1.00 41.86 N ATOM 967 CA HIS A 109 36.399 29.336 -15.000 1.00 43.55 C ATOM 968 C HIS A 109 35.927 28.443 -16.139 1.00 42.88 C ATOM 969 O HIS A 109 36.714 27.778 -16.810 1.00 44.31 O ATOM 970 CB HIS A 109 37.890 29.094 -14.667 1.00 46.62 C ATOM 971 CG HIS A 109 38.523 30.199 -13.871 1.00 49.59 C ATOM 972 ND1 HIS A 109 39.778 30.683 -14.140 1.00 55.68 N ATOM 973 CD2 HIS A 109 38.061 30.926 -12.829 1.00 53.58 C ATOM 974 CE1 HIS A 109 40.072 31.649 -13.288 1.00 56.51 C ATOM 975 NE2 HIS A 109 39.052 31.806 -12.472 1.00 54.12 N ATOM 976 H HIS A 109 35.058 29.943 -13.422 1.00 0.00 H ATOM 977 N GLU A 110 34.617 28.439 -16.317 1.00 41.26 N ATOM 978 CA GLU A 110 33.929 27.683 -17.343 1.00 41.49 C ATOM 979 C GLU A 110 33.277 28.651 -18.310 1.00 41.08 C ATOM 980 O GLU A 110 33.053 29.812 -17.987 1.00 39.35 O ATOM 981 CB GLU A 110 32.829 26.816 -16.717 1.00 40.63 C ATOM 982 CG GLU A 110 33.336 25.546 -16.030 1.00 41.24 C ATOM 983 CD GLU A 110 32.196 24.641 -15.476 1.00 41.58 C ATOM 984 OE1 GLU A 110 31.018 24.840 -15.850 1.00 34.68 O ATOM 985 OE2 GLU A 110 32.507 23.719 -14.673 1.00 41.82 O ATOM 986 H GLU A 110 34.040 29.019 -15.675 1.00 0.00 H ATOM 987 N ASN A 111 32.970 28.153 -19.501 1.00 42.21 N ATOM 988 CA ASN A 111 32.229 28.929 -20.466 1.00 41.97 C ATOM 989 C ASN A 111 30.722 28.584 -20.469 1.00 41.05 C ATOM 990 O ASN A 111 30.291 27.647 -19.802 1.00 40.93 O ATOM 991 CB ASN A 111 32.899 28.836 -21.852 1.00 43.50 C ATOM 992 CG ASN A 111 32.642 27.519 -22.573 1.00 45.79 C ATOM 993 OD1 ASN A 111 31.722 26.763 -22.245 1.00 44.26 O ATOM 994 ND2 ASN A 111 33.458 27.256 -23.601 1.00 50.48 N ATOM 995 HD22 ASN A 111 34.221 27.921 -23.843 1.00 0.00 H ATOM 996 HD21 ASN A 111 33.329 26.387 -24.158 1.00 0.00 H ATOM 997 H ASN A 111 33.269 27.187 -19.743 1.00 0.00 H ATOM 998 N ALA A 112 29.941 29.388 -21.202 1.00 40.79 N ATOM 999 CA ALA A 112 28.477 29.242 -21.321 1.00 39.49 C ATOM 1000 C ALA A 112 27.987 27.896 -21.858 1.00 40.37 C ATOM 1001 O ALA A 112 26.845 27.505 -21.575 1.00 40.75 O ATOM 1002 CB ALA A 112 27.925 30.338 -22.183 1.00 39.16 C ATOM 1003 H ALA A 112 30.396 30.166 -21.721 1.00 0.00 H ATOM 1004 N ALA A 113 28.807 27.193 -22.624 1.00 41.25 N ATOM 1005 CA ALA A 113 28.481 25.819 -23.047 1.00 42.91 C ATOM 1006 C ALA A 113 29.076 24.734 -22.105 1.00 43.88 C ATOM 1007 O ALA A 113 29.166 23.556 -22.476 1.00 45.40 O ATOM 1008 CB ALA A 113 28.947 25.583 -24.496 1.00 44.42 C ATOM 1009 H ALA A 113 29.703 27.621 -22.935 1.00 0.00 H ATOM 1010 N GLY A 114 29.474 25.144 -20.898 1.00 43.24 N ATOM 1011 CA GLY A 114 30.050 24.243 -19.896 1.00 43.70 C ATOM 1012 C GLY A 114 29.034 23.629 -18.956 1.00 42.94 C ATOM 1013 O GLY A 114 27.824 23.812 -19.105 1.00 42.83 O ATOM 1014 H GLY A 114 29.370 26.151 -20.658 1.00 0.00 H ATOM 1015 N LYS A 115 29.545 22.933 -17.951 1.00 43.56 N ATOM 1016 CA LYS A 115 28.723 22.114 -17.061 1.00 42.86 C ATOM 1017 C LYS A 115 27.801 22.927 -16.166 1.00 40.62 C ATOM 1018 O LYS A 115 26.614 22.638 -16.090 1.00 40.56 O ATOM 1019 CB LYS A 115 29.609 21.190 -16.209 1.00 43.61 C ATOM 1020 CG LYS A 115 30.361 20.119 -17.020 1.00 47.32 C ATOM 1021 H LYS A 115 30.572 22.971 -17.789 1.00 0.00 H ATOM 1022 N ALA A 116 28.348 23.932 -15.483 1.00 39.14 N ATOM 1023 CA ALA A 116 27.583 24.714 -14.500 1.00 37.23 C ATOM 1024 C ALA A 116 26.373 25.392 -15.146 1.00 35.85 C ATOM 1025 O ALA A 116 25.302 25.408 -14.562 1.00 35.28 O ATOM 1026 CB ALA A 116 28.478 25.773 -13.857 1.00 35.22 C ATOM 1027 H ALA A 116 29.346 24.171 -15.650 1.00 0.00 H ATOM 1028 N ALA A 117 26.573 25.987 -16.330 1.00 35.22 N ATOM 1029 CA ALA A 117 25.497 26.695 -17.023 1.00 34.35 C ATOM 1030 C ALA A 117 24.385 25.723 -17.397 1.00 35.39 C ATOM 1031 O ALA A 117 23.230 26.047 -17.297 1.00 35.22 O ATOM 1032 CB ALA A 117 26.027 27.428 -18.258 1.00 33.54 C ATOM 1033 H ALA A 117 27.516 25.944 -16.767 1.00 0.00 H ATOM 1034 N ALA A 118 24.745 24.507 -17.788 1.00 38.11 N ATOM 1035 CA ALA A 118 23.765 23.487 -18.132 1.00 39.22 C ATOM 1036 C ALA A 118 23.062 22.934 -16.886 1.00 39.31 C ATOM 1037 O ALA A 118 21.861 22.694 -16.907 1.00 38.92 O ATOM 1038 CB ALA A 118 24.450 22.351 -18.922 1.00 41.52 C ATOM 1039 H ALA A 118 25.757 24.276 -17.851 1.00 0.00 H ATOM 1040 N TRP A 119 23.817 22.743 -15.806 1.00 39.55 N ATOM 1041 CA TRP A 119 23.258 22.356 -14.487 1.00 39.42 C ATOM 1042 C TRP A 119 22.176 23.330 -13.998 1.00 37.96 C ATOM 1043 O TRP A 119 21.099 22.923 -13.576 1.00 38.11 O ATOM 1044 CB TRP A 119 24.394 22.307 -13.458 1.00 39.38 C ATOM 1045 CG TRP A 119 23.969 21.942 -12.060 1.00 40.95 C ATOM 1046 CD1 TRP A 119 23.808 20.687 -11.563 1.00 42.65 C ATOM 1047 CD2 TRP A 119 23.716 22.840 -10.972 1.00 40.00 C ATOM 1048 NE1 TRP A 119 23.433 20.748 -10.243 1.00 44.34 N ATOM 1049 CE2 TRP A 119 23.376 22.060 -9.854 1.00 42.56 C ATOM 1050 CE3 TRP A 119 23.719 24.222 -10.841 1.00 38.96 C ATOM 1051 CZ2 TRP A 119 23.035 22.628 -8.613 1.00 41.57 C ATOM 1052 CZ3 TRP A 119 23.380 24.783 -9.608 1.00 39.31 C ATOM 1053 CH2 TRP A 119 23.046 23.985 -8.515 1.00 39.92 C ATOM 1054 HE1 TRP A 119 23.226 19.929 -9.636 1.00 0.00 H ATOM 1055 H TRP A 119 24.846 22.871 -15.891 1.00 0.00 H ATOM 1056 N VAL A 120 22.477 24.623 -14.061 1.00 37.10 N ATOM 1057 CA VAL A 120 21.534 25.658 -13.647 1.00 35.78 C ATOM 1058 C VAL A 120 20.238 25.518 -14.443 1.00 36.63 C ATOM 1059 O VAL A 120 19.159 25.571 -13.868 1.00 37.16 O ATOM 1060 CB VAL A 120 22.131 27.060 -13.833 1.00 34.72 C ATOM 1061 CG1 VAL A 120 21.048 28.115 -13.700 1.00 34.17 C ATOM 1062 CG2 VAL A 120 23.286 27.290 -12.836 1.00 33.45 C ATOM 1063 H VAL A 120 23.413 24.906 -14.416 1.00 0.00 H ATOM 1064 N GLN A 121 20.328 25.328 -15.757 1.00 37.06 N ATOM 1065 CA GLN A 121 19.112 25.098 -16.542 1.00 38.01 C ATOM 1066 C GLN A 121 18.334 23.900 -16.074 1.00 38.76 C ATOM 1067 O GLN A 121 17.107 23.966 -15.984 1.00 38.62 O ATOM 1068 CB GLN A 121 19.401 24.873 -18.019 1.00 38.91 C ATOM 1069 CG GLN A 121 19.502 26.113 -18.825 1.00 40.74 C ATOM 1070 CD GLN A 121 19.308 25.871 -20.311 1.00 44.52 C ATOM 1071 OE1 GLN A 121 19.950 26.516 -21.145 1.00 47.01 O ATOM 1072 NE2 GLN A 121 18.458 24.911 -20.651 1.00 47.96 N ATOM 1073 HE22 GLN A 121 17.938 24.393 -19.915 1.00 0.00 H ATOM 1074 HE21 GLN A 121 18.312 24.677 -21.654 1.00 0.00 H ATOM 1075 H GLN A 121 21.257 25.343 -16.225 1.00 0.00 H ATOM 1076 N ARG A 122 19.029 22.784 -15.840 1.00 39.73 N ATOM 1077 CA ARG A 122 18.349 21.547 -15.442 1.00 41.02 C ATOM 1078 C ARG A 122 17.636 21.754 -14.114 1.00 39.78 C ATOM 1079 O ARG A 122 16.515 21.279 -13.907 1.00 40.90 O ATOM 1080 CB ARG A 122 19.343 20.378 -15.269 1.00 42.67 C ATOM 1081 CG ARG A 122 19.916 19.829 -16.546 1.00 45.39 C ATOM 1082 CD ARG A 122 20.437 18.403 -16.347 1.00 49.61 C ATOM 1083 NE ARG A 122 21.541 18.317 -15.384 1.00 49.09 N ATOM 1084 CZ ARG A 122 22.824 18.595 -15.644 1.00 48.04 C ATOM 1085 NH1 ARG A 122 23.234 18.991 -16.846 1.00 46.43 N ATOM 1086 NH2 ARG A 122 23.718 18.463 -14.674 1.00 49.65 N ATOM 1087 HE ARG A 122 21.306 18.014 -14.417 1.00 0.00 H ATOM 1088 HH12 ARG A 122 24.240 19.198 -17.010 1.00 0.00 H ATOM 1089 HH11 ARG A 122 22.549 19.094 -17.622 1.00 0.00 H ATOM 1090 HH22 ARG A 122 24.720 18.675 -14.858 1.00 0.00 H ATOM 1091 HH21 ARG A 122 23.418 18.148 -13.729 1.00 0.00 H ATOM 1092 H ARG A 122 20.064 22.792 -15.941 1.00 0.00 H ATOM 1093 N ILE A 123 18.317 22.431 -13.200 1.00 38.27 N ATOM 1094 CA ILE A 123 17.815 22.555 -11.845 1.00 37.91 C ATOM 1095 C ILE A 123 16.701 23.561 -11.838 1.00 36.08 C ATOM 1096 O ILE A 123 15.616 23.274 -11.407 1.00 36.35 O ATOM 1097 CB ILE A 123 18.933 22.948 -10.856 1.00 37.71 C ATOM 1098 CG1 ILE A 123 19.920 21.808 -10.695 1.00 40.74 C ATOM 1099 CG2 ILE A 123 18.379 23.243 -9.466 1.00 38.94 C ATOM 1100 CD1 ILE A 123 19.402 20.680 -9.835 1.00 44.14 C ATOM 1101 H ILE A 123 19.220 22.878 -13.457 1.00 0.00 H ATOM 1102 N GLU A 124 16.956 24.752 -12.347 1.00 34.89 N ATOM 1103 CA GLU A 124 15.976 25.815 -12.182 1.00 33.74 C ATOM 1104 C GLU A 124 14.778 25.674 -13.129 1.00 34.44 C ATOM 1105 O GLU A 124 13.647 25.675 -12.668 1.00 34.64 O ATOM 1106 CB GLU A 124 16.656 27.177 -12.265 1.00 32.01 C ATOM 1107 CG GLU A 124 17.765 27.317 -11.220 1.00 30.24 C ATOM 1108 CD GLU A 124 17.990 28.742 -10.781 1.00 29.78 C ATOM 1109 OE1 GLU A 124 16.987 29.418 -10.511 1.00 26.46 O ATOM 1110 OE2 GLU A 124 19.161 29.191 -10.700 1.00 31.16 O ATOM 1111 H GLU A 124 17.844 24.928 -12.858 1.00 0.00 H ATOM 1112 N PHE A 125 15.016 25.505 -14.425 1.00 35.07 N ATOM 1113 CA PHE A 125 13.917 25.462 -15.393 1.00 36.09 C ATOM 1114 C PHE A 125 13.210 24.083 -15.465 1.00 38.74 C ATOM 1115 O PHE A 125 11.993 24.018 -15.561 1.00 39.45 O ATOM 1116 CB PHE A 125 14.393 25.796 -16.808 1.00 35.75 C ATOM 1117 CG PHE A 125 14.937 27.187 -16.994 1.00 33.92 C ATOM 1118 CD1 PHE A 125 14.243 28.321 -16.550 1.00 33.51 C ATOM 1119 CD2 PHE A 125 16.136 27.370 -17.672 1.00 31.86 C ATOM 1120 CE1 PHE A 125 14.754 29.591 -16.769 1.00 30.52 C ATOM 1121 CE2 PHE A 125 16.641 28.627 -17.893 1.00 28.94 C ATOM 1122 CZ PHE A 125 15.946 29.738 -17.441 1.00 31.66 C ATOM 1123 H PHE A 125 15.996 25.402 -14.757 1.00 0.00 H ATOM 1124 N ALA A 126 13.966 22.994 -15.478 1.00 40.42 N ATOM 1125 CA ALA A 126 13.348 21.670 -15.681 1.00 43.68 C ATOM 1126 C ALA A 126 12.840 21.114 -14.358 1.00 44.64 C ATOM 1127 O ALA A 126 11.652 20.906 -14.185 1.00 46.85 O ATOM 1128 CB ALA A 126 14.314 20.700 -16.351 1.00 44.77 C ATOM 1129 H ALA A 126 14.994 23.073 -15.345 1.00 0.00 H ATOM 1130 N ARG A 127 13.735 20.937 -13.403 1.00 44.50 N ATOM 1131 CA ARG A 127 13.375 20.347 -12.113 1.00 45.14 C ATOM 1132 C ARG A 127 12.452 21.225 -11.287 1.00 44.07 C ATOM 1133 O ARG A 127 11.344 20.822 -10.947 1.00 45.52 O ATOM 1134 CB ARG A 127 14.662 20.057 -11.337 1.00 45.39 C ATOM 1135 CG ARG A 127 14.469 19.356 -10.007 1.00 47.16 C ATOM 1136 CD ARG A 127 15.821 18.899 -9.491 1.00 47.72 C ATOM 1137 NE ARG A 127 15.689 17.804 -8.548 1.00 48.97 N ATOM 1138 CZ ARG A 127 16.657 16.955 -8.224 1.00 50.31 C ATOM 1139 NH1 ARG A 127 17.866 17.023 -8.784 1.00 47.80 N ATOM 1140 NH2 ARG A 127 16.394 15.999 -7.339 1.00 54.03 N ATOM 1141 HE ARG A 127 14.764 17.674 -8.090 1.00 0.00 H ATOM 1142 HH12 ARG A 127 18.605 16.344 -8.510 1.00 0.00 H ATOM 1143 HH11 ARG A 127 18.070 17.755 -9.494 1.00 0.00 H ATOM 1144 HH22 ARG A 127 17.136 15.322 -7.069 1.00 0.00 H ATOM 1145 HH21 ARG A 127 15.446 15.928 -6.916 1.00 0.00 H ATOM 1146 H ARG A 127 14.720 21.224 -13.572 1.00 0.00 H ATOM 1147 N LEU A 128 12.912 22.430 -10.970 1.00 41.52 N ATOM 1148 CA LEU A 128 12.188 23.330 -10.074 1.00 40.07 C ATOM 1149 C LEU A 128 11.004 24.069 -10.775 1.00 39.94 C ATOM 1150 O LEU A 128 10.149 24.688 -10.122 1.00 39.92 O ATOM 1151 CB LEU A 128 13.171 24.303 -9.426 1.00 38.57 C ATOM 1152 CG LEU A 128 14.192 23.707 -8.433 1.00 38.74 C ATOM 1153 CD1 LEU A 128 15.210 24.732 -7.941 1.00 36.78 C ATOM 1154 CD2 LEU A 128 13.497 23.122 -7.237 1.00 37.62 C ATOM 1155 H LEU A 128 13.818 22.744 -11.373 1.00 0.00 H ATOM 1156 N GLY A 129 10.934 23.973 -12.097 1.00 39.67 N ATOM 1157 CA GLY A 129 9.792 24.474 -12.840 1.00 39.23 C ATOM 1158 C GLY A 129 9.740 25.984 -13.013 1.00 37.91 C ATOM 1159 O GLY A 129 8.693 26.521 -13.312 1.00 38.03 O ATOM 1160 H GLY A 129 11.718 23.527 -12.614 1.00 0.00 H ATOM 1161 N LEU A 130 10.851 26.689 -12.845 1.00 36.25 N ATOM 1162 CA LEU A 130 10.834 28.131 -13.117 1.00 35.20 C ATOM 1163 C LEU A 130 10.516 28.353 -14.593 1.00 35.31 C ATOM 1164 O LEU A 130 11.035 27.657 -15.450 1.00 36.30 O ATOM 1165 CB LEU A 130 12.140 28.800 -12.692 1.00 33.84 C ATOM 1166 CG LEU A 130 12.173 28.838 -11.152 1.00 34.05 C ATOM 1167 CD1 LEU A 130 13.565 28.782 -10.611 1.00 32.14 C ATOM 1168 CD2 LEU A 130 11.401 30.035 -10.629 1.00 31.89 C ATOM 1169 H LEU A 130 11.725 26.225 -12.524 1.00 0.00 H ATOM 1170 N PRO A 131 9.612 29.284 -14.893 1.00 34.89 N ATOM 1171 CA PRO A 131 9.311 29.515 -16.282 1.00 35.09 C ATOM 1172 C PRO A 131 10.481 30.228 -16.950 1.00 34.97 C ATOM 1173 O PRO A 131 11.163 31.058 -16.320 1.00 34.33 O ATOM 1174 CB PRO A 131 8.091 30.427 -16.226 1.00 35.25 C ATOM 1175 CG PRO A 131 8.229 31.160 -14.927 1.00 34.61 C ATOM 1176 CD PRO A 131 8.865 30.180 -13.998 1.00 34.94 C ATOM 1177 N LYS A 132 10.693 29.901 -18.211 1.00 35.28 N ATOM 1178 CA LYS A 132 11.749 30.496 -18.990 1.00 35.36 C ATOM 1179 C LYS A 132 11.350 31.880 -19.398 1.00 34.28 C ATOM 1180 O LYS A 132 10.240 32.084 -19.869 1.00 36.09 O ATOM 1181 CB LYS A 132 11.996 29.669 -20.252 1.00 36.46 C ATOM 1182 CG LYS A 132 12.640 28.315 -19.966 1.00 38.77 C ATOM 1183 CD LYS A 132 13.330 27.748 -21.202 1.00 39.01 C ATOM 1184 CE LYS A 132 14.034 26.469 -20.908 1.00 39.63 C ATOM 1185 NZ LYS A 132 14.518 25.844 -22.187 1.00 41.18 N ATOM 1186 HZ1 LYS A 132 13.705 25.654 -22.808 1.00 0.00 H ATOM 1187 HZ2 LYS A 132 15.174 26.495 -22.663 1.00 0.00 H ATOM 1188 HZ3 LYS A 132 15.008 24.952 -21.972 1.00 0.00 H ATOM 1189 H LYS A 132 10.078 29.191 -18.657 1.00 0.00 H ATOM 1190 N PRO A 133 12.264 32.835 -19.292 1.00 32.42 N ATOM 1191 CA PRO A 133 11.920 34.190 -19.707 1.00 31.20 C ATOM 1192 C PRO A 133 11.761 34.328 -21.222 1.00 30.54 C ATOM 1193 O PRO A 133 12.514 33.732 -21.949 1.00 31.08 O ATOM 1194 CB PRO A 133 13.118 34.996 -19.198 1.00 30.73 C ATOM 1195 CG PRO A 133 14.216 34.094 -19.186 1.00 29.92 C ATOM 1196 CD PRO A 133 13.679 32.736 -18.900 1.00 31.97 C ATOM 1197 N ASP A 134 10.789 35.113 -21.690 1.00 29.68 N ATOM 1198 CA ASP A 134 10.676 35.442 -23.121 1.00 29.78 C ATOM 1199 C ASP A 134 11.890 36.242 -23.640 1.00 28.92 C ATOM 1200 O ASP A 134 12.367 36.016 -24.755 1.00 29.13 O ATOM 1201 CB ASP A 134 9.404 36.215 -23.389 1.00 30.14 C ATOM 1202 CG ASP A 134 8.176 35.446 -22.968 1.00 33.26 C ATOM 1203 OD1 ASP A 134 7.890 34.390 -23.585 1.00 36.34 O ATOM 1204 OD2 ASP A 134 7.547 35.855 -21.969 1.00 33.74 O ATOM 1205 H ASP A 134 10.091 35.504 -21.025 1.00 0.00 H ATOM 1206 N TRP A 135 12.366 37.173 -22.834 1.00 27.91 N ATOM 1207 CA TRP A 135 13.594 37.917 -23.120 1.00 28.33 C ATOM 1208 C TRP A 135 14.518 38.010 -21.920 1.00 27.54 C ATOM 1209 O TRP A 135 14.072 38.092 -20.764 1.00 27.37 O ATOM 1210 CB TRP A 135 13.269 39.323 -23.548 1.00 29.04 C ATOM 1211 CG TRP A 135 12.571 39.479 -24.832 1.00 29.95 C ATOM 1212 CD1 TRP A 135 11.217 39.668 -25.019 1.00 33.95 C ATOM 1213 CD2 TRP A 135 13.171 39.567 -26.129 1.00 30.92 C ATOM 1214 NE1 TRP A 135 10.945 39.841 -26.381 1.00 33.71 N ATOM 1215 CE2 TRP A 135 12.126 39.782 -27.073 1.00 33.29 C ATOM 1216 CE3 TRP A 135 14.479 39.480 -26.594 1.00 31.77 C ATOM 1217 CZ2 TRP A 135 12.374 39.906 -28.447 1.00 34.55 C ATOM 1218 CZ3 TRP A 135 14.715 39.599 -27.952 1.00 31.43 C ATOM 1219 CH2 TRP A 135 13.673 39.800 -28.862 1.00 32.59 C ATOM 1220 HE1 TRP A 135 10.004 39.989 -26.798 1.00 0.00 H ATOM 1221 H TRP A 135 11.847 37.387 -21.959 1.00 0.00 H ATOM 1222 N GLN A 136 15.818 37.979 -22.189 1.00 27.80 N ATOM 1223 CA GLN A 136 16.805 38.314 -21.183 1.00 26.35 C ATOM 1224 C GLN A 136 17.648 39.476 -21.693 1.00 27.03 C ATOM 1225 O GLN A 136 18.263 39.403 -22.743 1.00 27.47 O ATOM 1226 CB GLN A 136 17.654 37.092 -20.843 1.00 26.53 C ATOM 1227 CG GLN A 136 16.846 35.986 -20.142 1.00 26.58 C ATOM 1228 CD GLN A 136 17.560 34.672 -20.067 1.00 26.41 C ATOM 1229 OE1 GLN A 136 18.214 34.371 -19.057 1.00 28.64 O ATOM 1230 NE2 GLN A 136 17.452 33.872 -21.135 1.00 21.80 N ATOM 1231 HE22 GLN A 136 16.890 34.174 -21.956 1.00 0.00 H ATOM 1232 HE21 GLN A 136 17.930 32.948 -21.143 1.00 0.00 H ATOM 1233 H GLN A 136 16.134 37.708 -23.142 1.00 0.00 H ATOM 1234 N VAL A 137 17.661 40.564 -20.936 1.00 26.76 N ATOM 1235 CA VAL A 137 18.290 41.769 -21.360 1.00 26.29 C ATOM 1236 C VAL A 137 19.532 41.995 -20.563 1.00 26.43 C ATOM 1237 O VAL A 137 19.466 42.275 -19.378 1.00 26.11 O ATOM 1238 CB VAL A 137 17.332 42.931 -21.212 1.00 26.89 C ATOM 1239 CG1 VAL A 137 18.040 44.274 -21.448 1.00 25.98 C ATOM 1240 CG2 VAL A 137 16.090 42.719 -22.192 1.00 25.84 C ATOM 1241 H VAL A 137 17.198 40.537 -20.005 1.00 0.00 H ATOM 1242 N LEU A 138 20.679 41.849 -21.226 1.00 26.20 N ATOM 1243 CA LEU A 138 21.962 42.064 -20.585 1.00 25.46 C ATOM 1244 C LEU A 138 22.316 43.541 -20.636 1.00 26.15 C ATOM 1245 O LEU A 138 22.499 44.100 -21.696 1.00 26.54 O ATOM 1246 CB LEU A 138 23.046 41.236 -21.277 1.00 26.08 C ATOM 1247 CG LEU A 138 24.501 41.487 -20.844 1.00 24.56 C ATOM 1248 CD1 LEU A 138 24.634 41.262 -19.391 1.00 21.21 C ATOM 1249 CD2 LEU A 138 25.512 40.636 -21.616 1.00 19.76 C ATOM 1250 H LEU A 138 20.653 41.574 -22.229 1.00 0.00 H ATOM 1251 N LEU A 139 22.399 44.170 -19.477 1.00 26.21 N ATOM 1252 CA LEU A 139 22.942 45.510 -19.369 1.00 26.85 C ATOM 1253 C LEU A 139 24.454 45.343 -19.255 1.00 28.17 C ATOM 1254 O LEU A 139 24.953 44.841 -18.244 1.00 28.17 O ATOM 1255 CB LEU A 139 22.388 46.227 -18.122 1.00 26.34 C ATOM 1256 CG LEU A 139 23.014 47.581 -17.744 1.00 26.70 C ATOM 1257 CD1 LEU A 139 22.894 48.594 -18.921 1.00 22.88 C ATOM 1258 CD2 LEU A 139 22.324 48.114 -16.463 1.00 22.32 C ATOM 1259 H LEU A 139 22.065 43.690 -18.617 1.00 0.00 H ATOM 1260 N ALA A 140 25.181 45.744 -20.291 1.00 29.72 N ATOM 1261 CA ALA A 140 26.639 45.505 -20.338 1.00 31.69 C ATOM 1262 C ALA A 140 27.371 46.838 -20.314 1.00 34.05 C ATOM 1263 O ALA A 140 27.288 47.644 -21.281 1.00 34.68 O ATOM 1264 CB ALA A 140 26.999 44.733 -21.600 1.00 31.50 C ATOM 1265 H ALA A 140 24.717 46.234 -21.082 1.00 0.00 H ATOM 1266 N VAL A 141 28.032 47.109 -19.203 1.00 36.59 N ATOM 1267 CA VAL A 141 28.681 48.409 -19.009 1.00 39.49 C ATOM 1268 C VAL A 141 30.195 48.288 -18.798 1.00 42.82 C ATOM 1269 O VAL A 141 30.720 47.262 -18.372 1.00 42.39 O ATOM 1270 CB VAL A 141 28.042 49.222 -17.831 1.00 39.19 C ATOM 1271 CG1 VAL A 141 26.566 49.559 -18.141 1.00 38.98 C ATOM 1272 CG2 VAL A 141 28.166 48.498 -16.533 1.00 37.53 C ATOM 1273 H VAL A 141 28.093 46.389 -18.455 1.00 0.00 H ATOM 1274 N SER A 142 30.875 49.383 -19.096 1.00 47.67 N ATOM 1275 CA SER A 142 32.323 49.493 -18.928 1.00 51.19 C ATOM 1276 C SER A 142 32.747 49.287 -17.484 1.00 53.54 C ATOM 1277 O SER A 142 33.463 48.325 -17.169 1.00 54.34 O ATOM 1278 CB SER A 142 32.792 50.874 -19.383 1.00 52.45 C ATOM 1279 OG SER A 142 32.589 51.841 -18.366 1.00 52.95 O ATOM 1280 HG SER A 142 32.900 52.725 -18.686 1.00 0.00 H ATOM 1281 H SER A 142 30.355 50.204 -19.467 1.00 0.00 H ATOM 1282 N ALA A 143 32.292 50.203 -16.624 1.00 56.34 N ATOM 1283 CA ALA A 143 32.641 50.233 -15.191 1.00 58.72 C ATOM 1284 C ALA A 143 31.388 50.107 -14.315 1.00 58.78 C ATOM 1285 O ALA A 143 30.537 51.005 -14.278 1.00 59.63 O ATOM 1286 CB ALA A 143 33.400 51.539 -14.835 1.00 59.98 C ATOM 1287 H ALA A 143 31.653 50.939 -16.987 1.00 0.00 H ATOM 1288 N GLU A 144 31.293 49.006 -13.587 1.00 59.54 N ATOM 1289 CA GLU A 144 30.263 48.856 -12.584 1.00 59.20 C ATOM 1290 C GLU A 144 30.651 49.697 -11.358 1.00 61.44 C ATOM 1291 O GLU A 144 31.364 49.225 -10.461 1.00 63.46 O ATOM 1292 CB GLU A 144 30.095 47.379 -12.214 1.00 58.69 C ATOM 1293 H GLU A 144 31.973 48.234 -13.739 1.00 0.00 H TER 1294 GLU A 144 ATOM 1295 N ASP A 168 34.715 41.803 -5.641 1.00 65.99 N ATOM 1296 CA ASP A 168 35.880 41.161 -6.238 1.00 67.01 C ATOM 1297 C ASP A 168 35.930 41.449 -7.739 1.00 65.81 C ATOM 1298 O ASP A 168 35.118 40.905 -8.496 1.00 64.50 O ATOM 1299 CB ASP A 168 35.835 39.645 -5.984 1.00 66.94 C ATOM 1300 CG ASP A 168 37.030 38.910 -6.596 1.00 68.87 C ATOM 1301 OD1 ASP A 168 38.152 39.474 -6.625 1.00 72.99 O ATOM 1302 OD2 ASP A 168 36.842 37.766 -7.053 1.00 69.64 O ATOM 1303 HN3 ASP A 168 33.851 41.435 -6.088 1.00 0.00 H ATOM 1304 HN2 ASP A 168 34.773 42.831 -5.789 1.00 0.00 H ATOM 1305 HN1 ASP A 168 34.693 41.599 -4.621 1.00 0.00 H ATOM 1306 N ALA A 169 36.880 42.288 -8.157 1.00 66.24 N ATOM 1307 CA ALA A 169 36.911 42.815 -9.537 1.00 65.36 C ATOM 1308 C ALA A 169 37.220 41.749 -10.593 1.00 64.06 C ATOM 1309 O ALA A 169 36.707 41.820 -11.731 1.00 63.83 O ATOM 1310 CB ALA A 169 37.922 43.963 -9.653 1.00 66.90 C ATOM 1311 H ALA A 169 37.622 42.580 -7.490 1.00 0.00 H ATOM 1312 N GLU A 170 38.074 40.790 -10.222 1.00 62.97 N ATOM 1313 CA GLU A 170 38.474 39.691 -11.117 1.00 61.70 C ATOM 1314 C GLU A 170 37.253 38.937 -11.660 1.00 58.29 C ATOM 1315 O GLU A 170 37.079 38.775 -12.876 1.00 57.35 O ATOM 1316 CB GLU A 170 39.379 38.700 -10.372 1.00 62.80 C ATOM 1317 H GLU A 170 38.472 40.821 -9.262 1.00 0.00 H ATOM 1318 N LEU A 171 36.423 38.507 -10.717 1.00 55.39 N ATOM 1319 CA LEU A 171 35.227 37.756 -10.989 1.00 52.91 C ATOM 1320 C LEU A 171 34.111 38.613 -11.629 1.00 50.35 C ATOM 1321 O LEU A 171 33.331 38.076 -12.417 1.00 49.26 O ATOM 1322 CB LEU A 171 34.744 37.043 -9.703 1.00 52.63 C ATOM 1323 CG LEU A 171 33.252 36.811 -9.428 1.00 53.04 C ATOM 1324 CD1 LEU A 171 32.683 35.560 -10.133 1.00 54.00 C ATOM 1325 CD2 LEU A 171 32.998 36.720 -7.920 1.00 54.99 C ATOM 1326 H LEU A 171 36.651 38.726 -9.726 1.00 0.00 H ATOM 1327 N GLN A 172 34.009 39.909 -11.312 1.00 48.17 N ATOM 1328 CA GLN A 172 32.896 40.694 -11.874 1.00 45.89 C ATOM 1329 C GLN A 172 33.130 40.873 -13.386 1.00 43.46 C ATOM 1330 O GLN A 172 32.195 40.741 -14.181 1.00 41.37 O ATOM 1331 CB GLN A 172 32.666 42.063 -11.180 1.00 46.75 C ATOM 1332 CG GLN A 172 32.012 42.063 -9.752 1.00 48.03 C ATOM 1333 CD GLN A 172 30.657 41.297 -9.580 1.00 50.43 C ATOM 1334 OE1 GLN A 172 29.603 41.644 -10.150 1.00 49.04 O ATOM 1335 NE2 GLN A 172 30.688 40.298 -8.708 1.00 51.36 N ATOM 1336 HE22 GLN A 172 31.584 40.035 -8.251 1.00 0.00 H ATOM 1337 HE21 GLN A 172 29.816 39.778 -8.482 1.00 0.00 H ATOM 1338 H GLN A 172 34.704 40.355 -10.679 1.00 0.00 H ATOM 1339 N GLN A 173 34.376 41.145 -13.753 1.00 42.46 N ATOM 1340 CA GLN A 173 34.797 41.292 -15.155 1.00 41.55 C ATOM 1341 C GLN A 173 34.573 40.022 -15.963 1.00 39.77 C ATOM 1342 O GLN A 173 34.101 40.070 -17.113 1.00 40.10 O ATOM 1343 CB GLN A 173 36.290 41.644 -15.227 1.00 43.31 C ATOM 1344 H GLN A 173 35.094 41.260 -13.009 1.00 0.00 H ATOM 1345 N ARG A 174 34.908 38.884 -15.364 1.00 38.87 N ATOM 1346 CA ARG A 174 34.745 37.603 -16.026 1.00 37.74 C ATOM 1347 C ARG A 174 33.266 37.238 -16.106 1.00 35.45 C ATOM 1348 O ARG A 174 32.817 36.701 -17.111 1.00 34.73 O ATOM 1349 CB ARG A 174 35.567 36.507 -15.320 1.00 38.37 C ATOM 1350 CG ARG A 174 35.457 35.135 -15.987 1.00 38.65 C ATOM 1351 CD ARG A 174 36.688 34.223 -15.752 1.00 39.98 C ATOM 1352 NE ARG A 174 36.667 33.091 -16.678 1.00 40.25 N ATOM 1353 CZ ARG A 174 37.740 32.411 -17.074 1.00 40.43 C ATOM 1354 NH1 ARG A 174 38.938 32.723 -16.615 1.00 40.64 N ATOM 1355 NH2 ARG A 174 37.606 31.408 -17.929 1.00 40.32 N ATOM 1356 HE ARG A 174 35.744 32.795 -17.055 1.00 0.00 H ATOM 1357 HH12 ARG A 174 39.771 32.186 -16.930 1.00 0.00 H ATOM 1358 HH11 ARG A 174 39.048 33.505 -15.939 1.00 0.00 H ATOM 1359 HH22 ARG A 174 38.443 30.875 -18.240 1.00 0.00 H ATOM 1360 HH21 ARG A 174 36.664 31.154 -18.289 1.00 0.00 H ATOM 1361 H ARG A 174 35.296 38.912 -14.399 1.00 0.00 H ATOM 1362 N THR A 175 32.508 37.540 -15.053 1.00 34.12 N ATOM 1363 CA THR A 175 31.071 37.297 -15.048 1.00 32.09 C ATOM 1364 C THR A 175 30.414 38.117 -16.165 1.00 30.45 C ATOM 1365 O THR A 175 29.567 37.627 -16.877 1.00 29.32 O ATOM 1366 CB THR A 175 30.434 37.670 -13.712 1.00 31.84 C ATOM 1367 OG1 THR A 175 31.240 37.169 -12.634 1.00 33.51 O ATOM 1368 CG2 THR A 175 28.989 37.112 -13.627 1.00 29.63 C ATOM 1369 HG1 THR A 175 32.145 37.566 -12.688 1.00 0.00 H ATOM 1370 H THR A 175 32.953 37.960 -14.212 1.00 0.00 H ATOM 1371 N GLY A 176 30.864 39.349 -16.350 1.00 30.45 N ATOM 1372 CA GLY A 176 30.337 40.208 -17.445 1.00 29.29 C ATOM 1373 C GLY A 176 30.498 39.537 -18.806 1.00 29.50 C ATOM 1374 O GLY A 176 29.564 39.549 -19.632 1.00 28.28 O ATOM 1375 H GLY A 176 31.600 39.723 -15.718 1.00 0.00 H ATOM 1376 N ALA A 177 31.715 39.004 -19.032 1.00 30.40 N ATOM 1377 CA ALA A 177 32.100 38.263 -20.244 1.00 30.90 C ATOM 1378 C ALA A 177 31.253 36.996 -20.430 1.00 29.72 C ATOM 1379 O ALA A 177 30.716 36.756 -21.504 1.00 29.34 O ATOM 1380 CB ALA A 177 33.624 37.907 -20.191 1.00 31.72 C ATOM 1381 H ALA A 177 32.437 39.126 -18.294 1.00 0.00 H ATOM 1382 N VAL A 178 31.100 36.209 -19.374 1.00 30.02 N ATOM 1383 CA VAL A 178 30.266 34.988 -19.449 1.00 29.93 C ATOM 1384 C VAL A 178 28.808 35.345 -19.811 1.00 29.39 C ATOM 1385 O VAL A 178 28.153 34.670 -20.625 1.00 31.26 O ATOM 1386 CB VAL A 178 30.341 34.149 -18.144 1.00 29.98 C ATOM 1387 CG1 VAL A 178 29.287 33.040 -18.155 1.00 29.30 C ATOM 1388 CG2 VAL A 178 31.759 33.534 -17.956 1.00 28.51 C ATOM 1389 H VAL A 178 31.573 36.453 -18.480 1.00 0.00 H ATOM 1390 N TYR A 179 28.309 36.423 -19.224 1.00 28.37 N ATOM 1391 CA TYR A 179 26.972 36.924 -19.498 1.00 26.05 C ATOM 1392 C TYR A 179 26.829 37.207 -20.975 1.00 27.47 C ATOM 1393 O TYR A 179 25.845 36.815 -21.569 1.00 27.21 O ATOM 1394 CB TYR A 179 26.769 38.228 -18.752 1.00 26.15 C ATOM 1395 CG TYR A 179 25.952 38.213 -17.502 1.00 24.73 C ATOM 1396 CD1 TYR A 179 24.725 37.596 -17.452 1.00 24.58 C ATOM 1397 CD2 TYR A 179 26.376 38.904 -16.393 1.00 27.12 C ATOM 1398 CE1 TYR A 179 23.955 37.628 -16.312 1.00 26.24 C ATOM 1399 CE2 TYR A 179 25.622 38.966 -15.272 1.00 26.49 C ATOM 1400 CZ TYR A 179 24.405 38.343 -15.222 1.00 26.98 C ATOM 1401 OH TYR A 179 23.646 38.428 -14.079 1.00 28.24 O ATOM 1402 HH TYR A 179 22.802 37.927 -14.207 1.00 0.00 H ATOM 1403 H TYR A 179 28.900 36.933 -18.537 1.00 0.00 H ATOM 1404 N ALA A 180 27.834 37.873 -21.579 1.00 28.21 N ATOM 1405 CA ALA A 180 27.772 38.193 -22.996 1.00 28.64 C ATOM 1406 C ALA A 180 27.762 36.928 -23.820 1.00 29.77 C ATOM 1407 O ALA A 180 27.177 36.875 -24.910 1.00 30.91 O ATOM 1408 CB ALA A 180 28.933 39.080 -23.404 1.00 29.75 C ATOM 1409 H ALA A 180 28.665 38.162 -21.024 1.00 0.00 H ATOM 1410 N GLU A 181 28.385 35.900 -23.283 1.00 29.92 N ATOM 1411 CA GLU A 181 28.432 34.641 -23.945 1.00 31.86 C ATOM 1412 C GLU A 181 27.075 33.943 -23.874 1.00 30.73 C ATOM 1413 O GLU A 181 26.713 33.246 -24.806 1.00 32.23 O ATOM 1414 CB GLU A 181 29.501 33.721 -23.354 1.00 32.44 C ATOM 1415 CG GLU A 181 29.794 32.622 -24.313 1.00 36.01 C ATOM 1416 CD GLU A 181 30.630 31.501 -23.773 1.00 39.74 C ATOM 1417 OE1 GLU A 181 31.189 31.631 -22.643 1.00 38.70 O ATOM 1418 OE2 GLU A 181 30.718 30.494 -24.528 1.00 42.68 O ATOM 1419 H GLU A 181 28.851 36.010 -22.360 1.00 0.00 H ATOM 1420 N LEU A 182 26.385 34.090 -22.755 1.00 29.67 N ATOM 1421 CA LEU A 182 25.032 33.537 -22.609 1.00 28.87 C ATOM 1422 C LEU A 182 24.126 34.211 -23.640 1.00 28.62 C ATOM 1423 O LEU A 182 23.311 33.546 -24.321 1.00 30.28 O ATOM 1424 CB LEU A 182 24.496 33.743 -21.192 1.00 26.78 C ATOM 1425 CG LEU A 182 25.225 32.998 -20.044 1.00 27.99 C ATOM 1426 CD1 LEU A 182 24.837 33.499 -18.689 1.00 23.96 C ATOM 1427 CD2 LEU A 182 24.993 31.481 -20.071 1.00 28.32 C ATOM 1428 H LEU A 182 26.810 34.609 -21.960 1.00 0.00 H ATOM 1429 N ALA A 183 24.288 35.519 -23.799 1.00 27.62 N ATOM 1430 CA ALA A 183 23.460 36.260 -24.740 1.00 27.75 C ATOM 1431 C ALA A 183 23.773 35.823 -26.197 1.00 29.00 C ATOM 1432 O ALA A 183 22.886 35.744 -27.045 1.00 28.73 O ATOM 1433 CB ALA A 183 23.638 37.785 -24.528 1.00 26.55 C ATOM 1434 H ALA A 183 25.013 36.019 -23.246 1.00 0.00 H ATOM 1435 N ALA A 184 25.031 35.480 -26.452 1.00 30.49 N ATOM 1436 CA ALA A 184 25.480 35.134 -27.792 1.00 32.22 C ATOM 1437 C ALA A 184 24.998 33.764 -28.193 1.00 33.62 C ATOM 1438 O ALA A 184 24.744 33.513 -29.372 1.00 34.62 O ATOM 1439 CB ALA A 184 27.019 35.183 -27.884 1.00 32.86 C ATOM 1440 H ALA A 184 25.716 35.458 -25.670 1.00 0.00 H ATOM 1441 N GLN A 185 24.922 32.864 -27.215 1.00 34.53 N ATOM 1442 CA GLN A 185 24.453 31.490 -27.446 1.00 36.67 C ATOM 1443 C GLN A 185 22.934 31.352 -27.340 1.00 35.64 C ATOM 1444 O GLN A 185 22.425 30.278 -27.593 1.00 37.19 O ATOM 1445 CB GLN A 185 25.076 30.504 -26.437 1.00 37.46 C ATOM 1446 CG GLN A 185 26.609 30.409 -26.414 1.00 41.83 C ATOM 1447 CD GLN A 185 27.181 29.474 -27.488 1.00 48.57 C ATOM 1448 OE1 GLN A 185 26.748 29.486 -28.658 1.00 52.73 O ATOM 1449 NE2 GLN A 185 28.173 28.680 -27.101 1.00 49.97 N ATOM 1450 HE22 GLN A 185 28.503 28.703 -26.115 1.00 0.00 H ATOM 1451 HE21 GLN A 185 28.620 28.036 -27.784 1.00 0.00 H ATOM 1452 H GLN A 185 25.204 33.143 -26.254 1.00 0.00 H ATOM 1453 N GLY A 186 22.213 32.396 -26.939 1.00 34.42 N ATOM 1454 CA GLY A 186 20.763 32.280 -26.732 1.00 33.82 C ATOM 1455 C GLY A 186 20.420 31.359 -25.560 1.00 33.46 C ATOM 1456 O GLY A 186 19.487 30.566 -25.613 1.00 34.96 O ATOM 1457 H GLY A 186 22.683 33.308 -26.769 1.00 0.00 H ATOM 1458 N TRP A 187 21.147 31.480 -24.467 1.00 32.68 N ATOM 1459 CA TRP A 187 21.009 30.507 -23.381 1.00 32.03 C ATOM 1460 C TRP A 187 19.657 30.750 -22.693 1.00 31.29 C ATOM 1461 O TRP A 187 19.385 31.861 -22.253 1.00 30.25 O ATOM 1462 CB TRP A 187 22.177 30.672 -22.430 1.00 31.59 C ATOM 1463 CG TRP A 187 22.157 29.770 -21.215 1.00 31.45 C ATOM 1464 CD1 TRP A 187 22.826 28.597 -21.070 1.00 33.44 C ATOM 1465 CD2 TRP A 187 21.488 30.010 -19.972 1.00 28.10 C ATOM 1466 NE1 TRP A 187 22.585 28.062 -19.820 1.00 34.28 N ATOM 1467 CE2 TRP A 187 21.757 28.911 -19.136 1.00 30.64 C ATOM 1468 CE3 TRP A 187 20.643 31.026 -19.498 1.00 28.65 C ATOM 1469 CZ2 TRP A 187 21.269 28.828 -17.846 1.00 30.38 C ATOM 1470 CZ3 TRP A 187 20.132 30.920 -18.240 1.00 26.74 C ATOM 1471 CH2 TRP A 187 20.455 29.837 -17.419 1.00 29.88 C ATOM 1472 HE1 TRP A 187 22.968 27.165 -19.459 1.00 0.00 H ATOM 1473 H TRP A 187 21.820 32.268 -24.376 1.00 0.00 H ATOM 1474 N GLY A 188 18.803 29.719 -22.658 1.00 31.88 N ATOM 1475 CA GLY A 188 17.450 29.814 -22.095 1.00 31.28 C ATOM 1476 C GLY A 188 16.413 30.592 -22.881 1.00 31.43 C ATOM 1477 O GLY A 188 15.270 30.700 -22.458 1.00 32.37 O ATOM 1478 H GLY A 188 19.113 28.806 -23.049 1.00 0.00 H ATOM 1479 N GLY A 189 16.770 31.112 -24.047 1.00 32.27 N ATOM 1480 CA GLY A 189 15.880 31.995 -24.775 1.00 32.42 C ATOM 1481 C GLY A 189 16.637 33.121 -25.458 1.00 33.45 C ATOM 1482 O GLY A 189 17.893 33.164 -25.427 1.00 32.36 O ATOM 1483 H GLY A 189 17.703 30.883 -24.446 1.00 0.00 H ATOM 1484 N ARG A 190 15.855 33.989 -26.112 1.00 32.96 N ATOM 1485 CA ARG A 190 16.344 35.207 -26.721 1.00 33.49 C ATOM 1486 C ARG A 190 16.877 36.229 -25.739 1.00 30.77 C ATOM 1487 O ARG A 190 16.275 36.481 -24.684 1.00 28.70 O ATOM 1488 CB ARG A 190 15.194 35.925 -27.450 1.00 35.04 C ATOM 1489 CG ARG A 190 14.787 35.290 -28.742 1.00 41.18 C ATOM 1490 CD ARG A 190 13.338 35.027 -28.724 1.00 47.81 C ATOM 1491 NE ARG A 190 12.545 36.099 -29.325 1.00 52.60 N ATOM 1492 CZ ARG A 190 11.418 36.606 -28.811 1.00 54.16 C ATOM 1493 NH1 ARG A 190 10.941 36.223 -27.608 1.00 51.08 N ATOM 1494 NH2 ARG A 190 10.770 37.545 -29.507 1.00 56.23 N ATOM 1495 HE ARG A 190 12.884 36.499 -30.223 1.00 0.00 H ATOM 1496 HH12 ARG A 190 10.061 36.639 -27.241 1.00 0.00 H ATOM 1497 HH11 ARG A 190 11.453 35.512 -27.048 1.00 0.00 H ATOM 1498 HH22 ARG A 190 9.892 37.957 -29.132 1.00 0.00 H ATOM 1499 HH21 ARG A 190 11.144 37.864 -30.424 1.00 0.00 H ATOM 1500 H ARG A 190 14.840 33.776 -26.186 1.00 0.00 H ATOM 1501 N TRP A 191 17.922 36.918 -26.192 1.00 29.76 N ATOM 1502 CA TRP A 191 18.488 38.015 -25.457 1.00 28.52 C ATOM 1503 C TRP A 191 18.605 39.218 -26.307 1.00 28.26 C ATOM 1504 O TRP A 191 18.555 39.145 -27.556 1.00 29.22 O ATOM 1505 CB TRP A 191 19.922 37.701 -24.977 1.00 28.71 C ATOM 1506 CG TRP A 191 20.063 36.665 -23.964 1.00 26.49 C ATOM 1507 CD1 TRP A 191 19.802 35.354 -24.123 1.00 26.69 C ATOM 1508 CD2 TRP A 191 20.656 36.810 -22.661 1.00 26.32 C ATOM 1509 NE1 TRP A 191 20.151 34.651 -22.971 1.00 26.38 N ATOM 1510 CE2 TRP A 191 20.687 35.532 -22.066 1.00 26.12 C ATOM 1511 CE3 TRP A 191 21.139 37.895 -21.932 1.00 24.82 C ATOM 1512 CZ2 TRP A 191 21.173 35.317 -20.760 1.00 22.34 C ATOM 1513 CZ3 TRP A 191 21.614 37.672 -20.638 1.00 23.48 C ATOM 1514 CH2 TRP A 191 21.626 36.390 -20.077 1.00 21.12 C ATOM 1515 HE1 TRP A 191 20.026 33.629 -22.822 1.00 0.00 H ATOM 1516 H TRP A 191 18.342 36.654 -27.106 1.00 0.00 H ATOM 1517 N LEU A 192 18.831 40.320 -25.602 1.00 27.43 N ATOM 1518 CA LEU A 192 19.330 41.534 -26.167 1.00 28.93 C ATOM 1519 C LEU A 192 20.449 42.038 -25.269 1.00 28.78 C ATOM 1520 O LEU A 192 20.398 41.856 -24.072 1.00 30.46 O ATOM 1521 CB LEU A 192 18.252 42.595 -26.174 1.00 28.77 C ATOM 1522 CG LEU A 192 17.043 42.503 -27.068 1.00 31.58 C ATOM 1523 CD1 LEU A 192 16.023 43.548 -26.609 1.00 30.89 C ATOM 1524 CD2 LEU A 192 17.404 42.712 -28.531 1.00 32.54 C ATOM 1525 H LEU A 192 18.634 40.299 -24.581 1.00 0.00 H ATOM 1526 N VAL A 193 21.447 42.692 -25.830 1.00 29.50 N ATOM 1527 CA VAL A 193 22.488 43.288 -25.024 1.00 29.35 C ATOM 1528 C VAL A 193 22.409 44.774 -25.230 1.00 30.33 C ATOM 1529 O VAL A 193 22.370 45.227 -26.362 1.00 31.49 O ATOM 1530 CB VAL A 193 23.884 42.844 -25.464 1.00 29.96 C ATOM 1531 CG1 VAL A 193 24.923 43.522 -24.579 1.00 27.89 C ATOM 1532 CG2 VAL A 193 23.972 41.317 -25.413 1.00 29.63 C ATOM 1533 H VAL A 193 21.486 42.780 -26.866 1.00 0.00 H ATOM 1534 N VAL A 194 22.441 45.520 -24.142 1.00 30.07 N ATOM 1535 CA VAL A 194 22.223 46.951 -24.176 1.00 30.98 C ATOM 1536 C VAL A 194 23.265 47.653 -23.324 1.00 31.88 C ATOM 1537 O VAL A 194 23.817 47.067 -22.400 1.00 32.55 O ATOM 1538 CB VAL A 194 20.768 47.328 -23.651 1.00 30.68 C ATOM 1539 CG1 VAL A 194 19.680 46.722 -24.566 1.00 27.58 C ATOM 1540 CG2 VAL A 194 20.573 46.896 -22.182 1.00 27.08 C ATOM 1541 H VAL A 194 22.630 45.063 -23.227 1.00 0.00 H ATOM 1542 N GLY A 195 23.511 48.916 -23.628 1.00 33.66 N ATOM 1543 CA GLY A 195 24.431 49.748 -22.844 1.00 35.05 C ATOM 1544 C GLY A 195 23.734 50.667 -21.878 1.00 35.54 C ATOM 1545 O GLY A 195 22.519 50.659 -21.796 1.00 34.55 O ATOM 1546 H GLY A 195 23.035 49.335 -24.453 1.00 0.00 H ATOM 1547 N ALA A 196 24.507 51.479 -21.155 1.00 37.09 N ATOM 1548 CA ALA A 196 23.941 52.355 -20.115 1.00 37.73 C ATOM 1549 C ALA A 196 23.003 53.403 -20.663 1.00 38.60 C ATOM 1550 O ALA A 196 22.085 53.798 -19.971 1.00 38.98 O ATOM 1551 CB ALA A 196 25.053 53.044 -19.315 1.00 38.95 C ATOM 1552 H ALA A 196 25.532 51.494 -21.330 1.00 0.00 H ATOM 1553 N ASP A 197 23.252 53.882 -21.882 1.00 40.19 N ATOM 1554 CA ASP A 197 22.434 54.944 -22.498 1.00 41.22 C ATOM 1555 C ASP A 197 21.379 54.437 -23.493 1.00 40.28 C ATOM 1556 O ASP A 197 20.939 55.156 -24.409 1.00 41.06 O ATOM 1557 CB ASP A 197 23.330 55.980 -23.187 1.00 43.00 C ATOM 1558 CG ASP A 197 24.035 56.921 -22.201 1.00 47.19 C ATOM 1559 OD1 ASP A 197 23.761 56.865 -20.968 1.00 50.67 O ATOM 1560 OD2 ASP A 197 24.867 57.756 -22.668 1.00 52.92 O ATOM 1561 H ASP A 197 24.053 53.492 -22.419 1.00 0.00 H ATOM 1562 N VAL A 198 20.941 53.209 -23.316 1.00 38.55 N ATOM 1563 CA VAL A 198 19.919 52.689 -24.206 1.00 37.63 C ATOM 1564 C VAL A 198 18.630 53.505 -24.064 1.00 37.47 C ATOM 1565 O VAL A 198 18.251 53.940 -22.984 1.00 37.33 O ATOM 1566 CB VAL A 198 19.641 51.202 -23.931 1.00 36.62 C ATOM 1567 CG1 VAL A 198 18.919 51.029 -22.584 1.00 34.75 C ATOM 1568 CG2 VAL A 198 18.875 50.552 -25.112 1.00 35.15 C ATOM 1569 H VAL A 198 21.322 52.619 -22.549 1.00 0.00 H ATOM 1570 N ASP A 199 17.968 53.722 -25.187 1.00 37.80 N ATOM 1571 CA ASP A 199 16.712 54.425 -25.204 1.00 37.30 C ATOM 1572 C ASP A 199 15.619 53.449 -24.785 1.00 35.19 C ATOM 1573 O ASP A 199 15.376 52.466 -25.476 1.00 34.36 O ATOM 1574 CB ASP A 199 16.485 54.972 -26.615 1.00 39.11 C ATOM 1575 CG ASP A 199 15.150 55.644 -26.777 1.00 41.79 C ATOM 1576 OD1 ASP A 199 14.103 54.993 -26.566 1.00 43.01 O ATOM 1577 OD2 ASP A 199 15.154 56.841 -27.109 1.00 51.63 O ATOM 1578 H ASP A 199 18.365 53.375 -26.083 1.00 0.00 H ATOM 1579 N PRO A 200 14.946 53.714 -23.648 1.00 34.53 N ATOM 1580 CA PRO A 200 13.987 52.748 -23.141 1.00 33.10 C ATOM 1581 C PRO A 200 12.704 52.594 -23.967 1.00 33.52 C ATOM 1582 O PRO A 200 12.076 51.511 -23.963 1.00 32.27 O ATOM 1583 CB PRO A 200 13.681 53.284 -21.734 1.00 33.63 C ATOM 1584 CG PRO A 200 13.961 54.739 -21.814 1.00 34.78 C ATOM 1585 CD PRO A 200 15.153 54.823 -22.685 1.00 35.24 C ATOM 1586 N GLY A 201 12.304 53.648 -24.668 1.00 34.35 N ATOM 1587 CA GLY A 201 11.115 53.568 -25.520 1.00 34.78 C ATOM 1588 C GLY A 201 11.375 52.681 -26.713 1.00 35.23 C ATOM 1589 O GLY A 201 10.511 51.875 -27.112 1.00 34.99 O ATOM 1590 H GLY A 201 12.839 54.538 -24.612 1.00 0.00 H ATOM 1591 N ARG A 202 12.562 52.828 -27.291 1.00 35.64 N ATOM 1592 CA ARG A 202 12.982 51.939 -28.387 1.00 36.95 C ATOM 1593 C ARG A 202 13.098 50.508 -27.917 1.00 35.21 C ATOM 1594 O ARG A 202 12.644 49.594 -28.612 1.00 33.96 O ATOM 1595 CB ARG A 202 14.322 52.342 -29.019 1.00 37.73 C ATOM 1596 CG ARG A 202 14.638 51.453 -30.214 1.00 42.72 C ATOM 1597 CD ARG A 202 15.990 51.700 -30.871 1.00 50.29 C ATOM 1598 NE ARG A 202 15.955 51.117 -32.220 1.00 57.39 N ATOM 1599 CZ ARG A 202 15.680 51.777 -33.357 1.00 63.04 C ATOM 1600 NH1 ARG A 202 15.466 53.098 -33.375 1.00 64.59 N ATOM 1601 NH2 ARG A 202 15.655 51.108 -34.512 1.00 65.58 N ATOM 1602 HE ARG A 202 16.162 50.101 -32.301 1.00 0.00 H ATOM 1603 HH12 ARG A 202 15.255 53.578 -34.273 1.00 0.00 H ATOM 1604 HH11 ARG A 202 15.510 53.644 -32.491 1.00 0.00 H ATOM 1605 HH22 ARG A 202 15.443 51.609 -35.399 1.00 0.00 H ATOM 1606 HH21 ARG A 202 15.847 50.086 -34.525 1.00 0.00 H ATOM 1607 H ARG A 202 13.202 53.580 -26.965 1.00 0.00 H ATOM 1608 N LEU A 203 13.706 50.319 -26.742 1.00 34.53 N ATOM 1609 CA LEU A 203 13.866 48.977 -26.159 1.00 34.32 C ATOM 1610 C LEU A 203 12.520 48.322 -25.902 1.00 34.43 C ATOM 1611 O LEU A 203 12.308 47.187 -26.295 1.00 35.96 O ATOM 1612 CB LEU A 203 14.724 49.003 -24.873 1.00 33.79 C ATOM 1613 CG LEU A 203 15.126 47.682 -24.199 1.00 33.64 C ATOM 1614 CD1 LEU A 203 15.742 46.771 -25.172 1.00 35.11 C ATOM 1615 CD2 LEU A 203 16.083 47.894 -22.997 1.00 34.92 C ATOM 1616 H LEU A 203 14.076 51.142 -26.226 1.00 0.00 H ATOM 1617 N ALA A 204 11.594 49.034 -25.284 1.00 35.27 N ATOM 1618 CA ALA A 204 10.222 48.522 -25.070 1.00 35.05 C ATOM 1619 C ALA A 204 9.534 48.102 -26.375 1.00 35.83 C ATOM 1620 O ALA A 204 8.834 47.099 -26.414 1.00 35.89 O ATOM 1621 CB ALA A 204 9.349 49.591 -24.305 1.00 34.26 C ATOM 1622 H ALA A 204 11.837 49.984 -24.937 1.00 0.00 H ATOM 1623 N ALA A 205 9.698 48.878 -27.448 1.00 36.97 N ATOM 1624 CA ALA A 205 9.068 48.529 -28.741 1.00 38.43 C ATOM 1625 C ALA A 205 9.703 47.238 -29.314 1.00 38.83 C ATOM 1626 O ALA A 205 8.992 46.347 -29.808 1.00 40.46 O ATOM 1627 CB ALA A 205 9.169 49.690 -29.753 1.00 38.66 C ATOM 1628 H ALA A 205 10.276 49.739 -27.375 1.00 0.00 H ATOM 1629 N THR A 206 11.022 47.128 -29.226 1.00 38.44 N ATOM 1630 CA THR A 206 11.725 45.878 -29.585 1.00 38.96 C ATOM 1631 C THR A 206 11.223 44.661 -28.802 1.00 39.12 C ATOM 1632 O THR A 206 11.011 43.601 -29.386 1.00 39.08 O ATOM 1633 CB THR A 206 13.250 45.967 -29.366 1.00 37.72 C ATOM 1634 OG1 THR A 206 13.811 46.999 -30.177 1.00 38.07 O ATOM 1635 CG2 THR A 206 13.888 44.675 -29.735 1.00 38.65 C ATOM 1636 HG1 THR A 206 14.788 47.042 -30.025 1.00 0.00 H ATOM 1637 H THR A 206 11.577 47.943 -28.895 1.00 0.00 H ATOM 1638 N LEU A 207 11.047 44.818 -27.487 1.00 39.86 N ATOM 1639 CA LEU A 207 10.620 43.695 -26.630 1.00 40.95 C ATOM 1640 C LEU A 207 9.125 43.326 -26.760 1.00 44.23 C ATOM 1641 O LEU A 207 8.739 42.161 -26.546 1.00 47.00 O ATOM 1642 CB LEU A 207 10.953 43.988 -25.167 1.00 39.28 C ATOM 1643 CG LEU A 207 12.431 44.181 -24.756 1.00 36.77 C ATOM 1644 CD1 LEU A 207 12.481 44.742 -23.385 1.00 30.59 C ATOM 1645 CD2 LEU A 207 13.253 42.899 -24.815 1.00 35.90 C ATOM 1646 H LEU A 207 11.214 45.751 -27.058 1.00 0.00 H ATOM 1647 N ALA A 208 8.299 44.297 -27.105 1.00 46.79 N ATOM 1648 CA ALA A 208 6.845 44.123 -27.230 1.00 49.73 C ATOM 1649 C ALA A 208 6.456 43.140 -28.311 1.00 52.17 C ATOM 1650 O ALA A 208 6.935 43.239 -29.441 1.00 53.06 O ATOM 1651 CB ALA A 208 6.148 45.488 -27.523 1.00 50.00 C ATOM 1652 H ALA A 208 8.700 45.237 -27.299 1.00 0.00 H ATOM 1653 N PRO A 209 5.524 42.226 -27.985 1.00 54.97 N ATOM 1654 CA PRO A 209 5.021 41.253 -28.964 1.00 57.36 C ATOM 1655 C PRO A 209 4.420 41.920 -30.198 1.00 59.30 C ATOM 1656 O PRO A 209 3.223 41.802 -30.428 1.00 61.70 O ATOM 1657 CB PRO A 209 3.927 40.497 -28.175 1.00 57.85 C ATOM 1658 CG PRO A 209 3.413 41.505 -27.236 1.00 57.25 C ATOM 1659 CD PRO A 209 4.692 42.206 -26.763 1.00 55.35 C TER 1660 PRO A 209 HETATM 1661 O HOH 1 3.927 35.852 -19.506 1.00 25.64 O HETATM 1662 O HOH 2 1.202 38.693 -19.634 1.00 43.06 O HETATM 1663 O HOH 3 17.631 35.071 -16.537 1.00 20.71 O HETATM 1664 O HOH 4 20.663 49.685 -6.730 1.00 22.91 O HETATM 1665 O HOH 5 26.884 43.260 -17.042 1.00 20.71 O HETATM 1666 O HOH 6 22.648 43.593 -8.488 1.00 41.46 O HETATM 1667 O HOH 7 22.905 40.919 -6.291 1.00 33.43 O HETATM 1668 O HOH 8 23.050 46.671 -10.788 1.00 19.99 O HETATM 1669 O HOH 9 4.185 55.442 -15.795 1.00 32.22 O HETATM 1670 O HOH 10 24.454 52.215 -15.371 1.00 38.16 O HETATM 1671 O HOH 11 -2.910 50.006 -28.426 1.00 51.07 O HETATM 1672 O HOH 12 20.938 51.628 -16.364 1.00 26.14 O HETATM 1673 O HOH 13 20.998 48.236 -9.808 1.00 36.16 O HETATM 1674 O HOH 14 3.397 44.229 -8.123 1.00 33.54 O HETATM 1675 O HOH 15 20.749 51.114 -10.574 1.00 20.77 O HETATM 1676 O HOH 16 9.159 53.503 -13.596 1.00 28.67 O HETATM 1677 O HOH 17 11.030 55.476 -19.333 1.00 29.44 O HETATM 1678 O HOH 18 5.224 56.126 -18.128 1.00 30.17 O HETATM 1679 O HOH 19 7.007 53.560 -24.785 1.00 10.54 O HETATM 1680 O HOH 20 1.244 48.890 -14.124 1.00 15.52 O HETATM 1681 O HOH 21 6.324 48.952 -10.641 1.00 34.11 O HETATM 1682 O HOH 22 6.631 53.849 -14.215 1.00 22.82 O HETATM 1683 O HOH 23 33.559 21.883 -10.430 1.00 32.41 O HETATM 1684 O HOH 24 -1.144 48.773 -25.250 1.00 17.97 O HETATM 1685 O HOH 25 -3.696 50.615 -23.220 1.00 33.77 O HETATM 1686 O HOH 26 11.135 23.886 -3.741 1.00 30.49 O HETATM 1687 O HOH 27 2.540 46.346 -10.503 1.00 36.67 O HETATM 1688 O HOH 28 5.448 45.890 -9.144 1.00 22.22 O HETATM 1689 O HOH 29 7.519 45.520 -7.260 1.00 37.49 O HETATM 1690 O HOH 30 18.356 42.414 -8.369 1.00 23.27 O HETATM 1691 O HOH 31 20.322 41.955 -6.441 1.00 43.68 O HETATM 1692 O HOH 32 15.288 46.555 -6.312 1.00 41.66 O HETATM 1693 O HOH 33 7.334 35.358 -3.713 1.00 34.26 O HETATM 1694 O HOH 34 8.253 37.679 -3.561 1.00 33.93 O HETATM 1695 O HOH 35 9.860 30.809 -0.273 1.00 29.44 O HETATM 1696 O HOH 36 22.660 41.689 0.622 1.00 32.05 O HETATM 1697 O HOH 37 13.779 40.091 7.843 1.00 43.36 O HETATM 1698 O HOH 38 11.807 32.036 3.358 1.00 24.45 O HETATM 1699 O HOH 39 13.928 30.156 0.985 1.00 30.25 O HETATM 1700 O HOH 40 26.624 19.385 -19.491 1.00 40.60 O HETATM 1701 O HOH 41 21.671 23.050 -21.688 1.00 31.69 O HETATM 1702 O HOH 42 16.444 35.321 7.356 1.00 32.32 O HETATM 1703 O HOH 43 30.760 30.558 3.900 1.00 31.10 O HETATM 1704 O HOH 44 6.067 29.481 -23.394 1.00 47.69 O HETATM 1705 O HOH 45 27.959 31.450 11.061 1.00 14.58 O HETATM 1706 O HOH 46 30.441 29.896 10.481 1.00 19.01 O HETATM 1707 O HOH 47 35.129 27.910 8.332 1.00 48.57 O HETATM 1708 O HOH 48 36.183 28.215 -3.425 1.00 35.00 O HETATM 1709 O HOH 49 31.349 22.284 -12.794 1.00 15.08 O HETATM 1710 O HOH 50 17.844 34.291 -5.849 1.00 22.66 O HETATM 1711 O HOH 51 11.927 26.173 -2.595 1.00 34.81 O HETATM 1712 O HOH 52 6.674 28.657 -2.742 1.00 24.69 O HETATM 1713 O HOH 53 5.734 31.621 -5.112 1.00 16.97 O HETATM 1714 O HOH 54 0.554 31.504 -9.250 1.00 26.32 O HETATM 1715 O HOH 55 5.935 25.028 -4.264 1.00 28.24 O HETATM 1716 O HOH 56 6.065 24.270 -7.683 1.00 33.78 O HETATM 1717 O HOH 57 2.580 34.841 -3.940 1.00 22.70 O HETATM 1718 O HOH 58 -3.277 34.957 -9.291 1.00 34.18 O HETATM 1719 O HOH 59 0.011 42.053 -7.829 1.00 37.94 O HETATM 1720 O HOH 60 14.726 46.315 -8.978 1.00 38.53 O HETATM 1721 O HOH 61 37.148 25.200 -15.988 1.00 11.56 O HETATM 1722 O HOH 62 36.897 24.704 -13.606 1.00 25.09 O HETATM 1723 O HOH 63 41.176 28.071 -15.349 1.00 28.27 O HETATM 1724 O HOH 64 34.237 31.571 -20.237 1.00 20.19 O HETATM 1725 O HOH 65 29.250 26.572 -17.457 1.00 20.61 O HETATM 1726 O HOH 66 33.911 25.058 -20.009 1.00 22.33 O HETATM 1727 O HOH 67 32.260 24.104 -22.608 1.00 23.14 O HETATM 1728 O HOH 68 32.398 25.153 -25.828 1.00 20.68 O HETATM 1729 O HOH 69 26.143 25.039 -20.796 1.00 25.95 O HETATM 1730 O HOH 70 27.058 21.052 -21.547 1.00 40.98 O HETATM 1731 O HOH 71 30.781 21.284 -22.566 1.00 36.23 O HETATM 1732 O HOH 72 32.733 22.839 -18.497 1.00 28.81 O HETATM 1733 O HOH 73 25.616 19.684 -16.136 1.00 32.67 O HETATM 1734 O HOH 74 23.396 25.285 -20.905 1.00 26.71 O HETATM 1735 O HOH 75 21.134 21.986 -19.315 1.00 26.35 O HETATM 1736 O HOH 76 19.498 27.167 -23.787 1.00 24.72 O HETATM 1737 O HOH 77 14.910 22.883 -19.420 1.00 40.47 O HETATM 1738 O HOH 78 22.222 17.141 -12.142 1.00 36.99 O HETATM 1739 O HOH 79 21.776 19.483 -19.752 1.00 33.27 O HETATM 1740 O HOH 80 10.324 25.867 -16.884 1.00 30.14 O HETATM 1741 O HOH 81 9.300 24.454 -7.677 1.00 30.89 O HETATM 1742 O HOH 82 8.912 27.699 -19.566 1.00 27.10 O HETATM 1743 O HOH 83 16.348 27.343 -24.250 1.00 25.70 O HETATM 1744 O HOH 84 14.989 34.800 -22.930 1.00 25.50 O HETATM 1745 O HOH 85 12.779 31.421 -23.419 1.00 27.20 O HETATM 1746 O HOH 86 12.925 33.367 -25.672 1.00 17.15 O HETATM 1747 O HOH 87 6.194 32.308 -23.164 1.00 42.67 O HETATM 1748 O HOH 88 27.405 50.589 -21.638 1.00 30.14 O HETATM 1749 O HOH 89 30.317 44.002 -19.011 1.00 29.71 O HETATM 1750 O HOH 90 33.105 45.666 -18.882 1.00 32.60 O HETATM 1751 O HOH 91 33.305 42.341 -18.556 1.00 37.31 O HETATM 1752 O HOH 92 28.308 42.082 -19.151 1.00 20.09 O HETATM 1753 O HOH 93 27.353 38.822 -26.584 1.00 15.23 O HETATM 1754 O HOH 94 32.592 32.983 -21.609 1.00 30.00 O HETATM 1755 O HOH 95 28.159 28.833 -30.591 1.00 25.86 O HETATM 1756 O HOH 96 21.638 42.788 -29.065 1.00 11.42 O HETATM 1757 O HOH 97 22.865 56.241 -18.547 1.00 35.87 O HETATM 1758 O HOH 98 22.438 58.672 -18.293 1.00 23.74 O HETATM 1759 O HOH 99 7.918 52.233 -26.810 1.00 17.27 O HETATM 1760 O HOH 100 9.937 41.159 -31.188 1.00 35.12 O HETATM 1761 O HOH 101 16.119 48.373 -29.236 1.00 34.00 O HETATM 1762 O HOH 102 -2.177 36.255 -26.063 1.00 57.86 O HETATM 1763 O HOH 103 10.876 37.078 -35.280 1.00 67.29 O HETATM 1764 C1 H A 6 22.890 37.735 -5.813 1.00 0.03 C HETATM 1765 S2 H A 6 23.460 37.755 -7.487 1.00 0.05 S HETATM 1766 O3 H A 6 24.886 38.196 -7.417 1.00 -0.30 O HETATM 1767 H4 H A 6 25.381 37.581 -6.888 1.00 0.24 H HETATM 1768 C4 H A 6 23.453 36.009 -7.790 1.00 0.19 C HETATM 1769 C5 H A 6 24.671 35.313 -7.600 1.00 0.10 C HETATM 1770 C6 H A 6 24.722 33.965 -7.821 1.00 0.16 C HETATM 1771 N7 H A 6 23.543 33.327 -8.216 1.00 -0.14 N HETATM 1772 C8 H A 6 22.316 33.953 -8.407 1.00 0.31 C HETATM 1773 O9 H A 6 21.334 33.319 -8.754 1.00 -0.32 O HETATM 1774 C10 H A 6 22.316 35.365 -8.170 1.00 0.28 C HETATM 1775 C11 H A 6 21.073 36.029 -8.338 1.00 0.16 C HETATM 1776 N12 H A 6 20.074 36.569 -8.433 1.00 -0.29 N HETATM 1777 H6 H A 6 22.570 35.558 -9.223 1.00 0.13 H HETATM 1778 C13 H A 6 25.914 33.114 -7.576 1.00 0.03 C HETATM 1779 C14 H A 6 26.031 31.837 -8.137 1.00 -0.05 C HETATM 1780 C15 H A 6 27.139 31.033 -7.853 1.00 -0.06 C HETATM 1781 C16 H A 6 28.130 31.472 -6.996 1.00 -0.02 C HETATM 1782 C17 H A 6 28.013 32.728 -6.442 1.00 0.11 C HETATM 1783 C18 H A 6 26.912 33.549 -6.715 1.00 -0.01 C HETATM 1784 H10 H A 6 26.839 34.527 -6.253 1.00 0.06 H HETATM 1785 O19 H A 6 28.995 33.181 -5.566 1.00 -0.22 O HETATM 1786 C20 H A 6 29.844 34.081 -5.940 1.00 0.55 C HETATM 1787 F21 H A 6 30.595 34.392 -4.894 1.00 -0.14 F HETATM 1788 F22 H A 6 29.304 35.169 -6.430 1.00 -0.14 F HETATM 1789 F23 H A 6 30.623 33.705 -6.923 1.00 -0.14 F HETATM 1790 H9 H A 6 28.981 30.842 -6.765 1.00 0.06 H HETATM 1791 H8 H A 6 27.222 30.054 -8.310 1.00 0.06 H HETATM 1792 H7 H A 6 25.255 31.468 -8.798 1.00 0.06 H HETATM 1793 H5 H A 6 25.563 35.849 -7.279 1.00 0.12 H HETATM 1794 H1 H A 6 21.837 37.416 -5.788 1.00 0.04 H HETATM 1795 H2 H A 6 22.978 38.744 -5.383 1.00 0.04 H HETATM 1796 H3 H A 6 23.500 37.032 -5.226 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1295 1296 1303 1304 1305 CONECT 1303 1295 CONECT 1304 1295 CONECT 1305 1295 CONECT 1764 1765 1794 1795 1796 CONECT 1765 1764 1766 1768 CONECT 1766 1765 1767 CONECT 1767 1766 CONECT 1768 1765 1769 1774 CONECT 1769 1768 1770 1793 CONECT 1770 1769 1771 1778 CONECT 1771 1770 1772 CONECT 1772 1771 1773 1774 CONECT 1773 1772 CONECT 1774 1768 1772 1775 1777 CONECT 1775 1774 1776 CONECT 1776 1775 CONECT 1777 1774 CONECT 1778 1770 1779 1783 CONECT 1779 1778 1780 1792 CONECT 1780 1779 1781 1791 CONECT 1781 1780 1782 1790 CONECT 1782 1781 1783 1785 CONECT 1783 1778 1782 1784 CONECT 1784 1783 CONECT 1785 1782 1786 CONECT 1786 1785 1787 1788 1789 CONECT 1787 1786 CONECT 1788 1786 CONECT 1789 1786 CONECT 1790 1781 CONECT 1791 1780 CONECT 1792 1779 CONECT 1793 1769 CONECT 1794 1764 CONECT 1795 1764 CONECT 1796 1764 MASTER 0 0 0 0 0 0 0 0 1794 2 41 16 END
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Structure:
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Related entries of code: 4unq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1mrn
RCSB PDB
PDBbind
214aa, >1MRN_1|Chain... *
1mrs
RCSB PDB
PDBbind
214aa, >1MRS_1|Chain... at 100%
1w2g
RCSB PDB
PDBbind
214aa, >1W2G_1|Chains... at 100%
1w2h
RCSB PDB
PDBbind
214aa, >1W2H_1|Chains... at 100%
4unn
RCSB PDB
PDBbind
214aa, >4UNN_1|Chains... at 99%
4unp
RCSB PDB
PDBbind
210aa, >4UNP_1|Chain... at 100%
4unr
RCSB PDB
PDBbind
210aa, >4UNR_1|Chains... at 100%
4uns
RCSB PDB
PDBbind
210aa, >4UNS_1|Chains... at 100%
5nq5
RCSB PDB
PDBbind
214aa, >5NQ5_1|Chain... at 100%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4unq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
M. Tuberculosis Thymidylate Kinase (Mtb Tmk)
Ligand Name
H6D
EC.Number
E.C.2.7.4.9
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=0.24uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 753-766
Ligand Properties
Formula
C
1
4
H
1
0
F
3
N
2
O
3
S
Molecular Weight
343.301
Exact Mass
343.036
No. of atoms
33
No. of bonds
34
Polar Surface Area
107.98
LOGP Value
2.68 (
Computed with XLOGP3
)
2.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
N#C[C@@H]1C(=O)N=C(C=C1[S@](O)C)c1cccc(c1)OC(F)(F)F
InChI String
InChI=1S/C14H10F3N2O3S/c1-23(21)12-6-11(19-13(20)10(12)7-18)8-3-2-4-9(5-8)22-14(15,16)17/h2-6,10,21H,1H3/t10-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P9WKE1
Entrez Gene ID
NCBI Entrez Gene ID:
888740
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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