Browse entries in the PDBbind-CN Database
HEADER 5TZF_COMPLEX COMPND 5TZF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 76 PRO LYS LEU VAL LEU ASP LEU GLU ARG LEU ALA HIS VAL SEQRES 2 B 76 PRO GLN GLU LYS ALA GLY PRO LEU GLN ARG TYR ALA ALA SEQRES 3 B 76 THR ILE GLN SER GLN ARG GLY ALA TYR ASN GLY LYS VAL SEQRES 4 B 76 LEU SER ILE ARG GLN ASP ASP LEU ARG THR LEU ALA VAL SEQRES 5 B 76 ILE TYR ASP GLN SER PRO SER VAL LEU THR GLU GLN LEU SEQRES 6 B 76 ILE SER TRP GLY VAL LEU ASP ALA ASP ALA ARG HET C A 2E 70 ATOM 1 N PRO B 83 -3.264 35.961 12.212 1.00 97.78 N ATOM 2 CA PRO B 83 -3.679 34.630 12.663 1.00 93.76 C ATOM 3 C PRO B 83 -2.680 33.556 12.237 1.00 91.07 C ATOM 4 O PRO B 83 -2.957 32.799 11.308 1.00 96.36 O ATOM 5 CB PRO B 83 -5.010 34.425 11.938 1.00 90.88 C ATOM 6 CG PRO B 83 -4.852 35.197 10.670 1.00 93.35 C ATOM 7 CD PRO B 83 -4.017 36.403 11.023 1.00 98.07 C ATOM 8 HN2 PRO B 83 -2.251 35.935 11.978 1.00 0.00 H ATOM 9 HN1 PRO B 83 -3.423 36.641 12.982 1.00 0.00 H ATOM 10 N LYS B 84 -1.536 33.492 12.910 1.00 81.37 N ATOM 11 CA LYS B 84 -0.494 32.532 12.560 1.00 83.79 C ATOM 12 C LYS B 84 -0.599 31.239 13.370 1.00 77.03 C ATOM 13 O LYS B 84 -0.876 31.264 14.571 1.00 87.07 O ATOM 14 CB LYS B 84 0.894 33.155 12.748 1.00 93.81 C ATOM 15 CG LYS B 84 1.137 34.413 11.924 1.00 99.41 C ATOM 16 CD LYS B 84 2.472 35.066 12.274 1.00103.90 C ATOM 17 CE LYS B 84 3.656 34.226 11.811 1.00107.35 C ATOM 18 NZ LYS B 84 3.762 34.169 10.325 1.00108.59 N ATOM 19 HZ1 LYS B 84 2.895 33.749 9.933 1.00 0.00 H ATOM 20 HZ2 LYS B 84 3.883 35.132 9.950 1.00 0.00 H ATOM 21 HZ3 LYS B 84 4.582 33.587 10.059 1.00 0.00 H ATOM 22 H LYS B 84 -1.379 34.142 13.706 1.00 0.00 H ATOM 23 N LEU B 85 -0.376 30.113 12.699 1.00 59.95 N ATOM 24 CA LEU B 85 -0.329 28.813 13.355 1.00 52.53 C ATOM 25 C LEU B 85 1.109 28.318 13.419 1.00 49.67 C ATOM 26 O LEU B 85 1.650 27.829 12.430 1.00 45.48 O ATOM 27 CB LEU B 85 -1.187 27.794 12.602 1.00 60.36 C ATOM 28 CG LEU B 85 -2.706 27.968 12.652 1.00 67.33 C ATOM 29 CD1 LEU B 85 -3.394 26.890 11.826 1.00 59.21 C ATOM 30 CD2 LEU B 85 -3.197 27.935 14.090 1.00 66.75 C ATOM 31 H LEU B 85 -0.230 30.162 11.670 1.00 0.00 H ATOM 32 N VAL B 86 1.729 28.452 14.585 1.00 46.33 N ATOM 33 CA VAL B 86 3.107 28.021 14.764 1.00 42.49 C ATOM 34 C VAL B 86 3.175 26.910 15.794 1.00 39.26 C ATOM 35 O VAL B 86 2.843 27.113 16.960 1.00 41.79 O ATOM 36 CB VAL B 86 3.999 29.180 15.235 1.00 46.30 C ATOM 37 CG1 VAL B 86 5.439 28.716 15.366 1.00 46.67 C ATOM 38 CG2 VAL B 86 3.892 30.355 14.277 1.00 43.73 C ATOM 39 H VAL B 86 1.219 28.874 15.387 1.00 0.00 H ATOM 40 N LEU B 87 3.603 25.732 15.365 1.00 25.28 N ATOM 41 CA LEU B 87 3.690 24.598 16.275 1.00 39.08 C ATOM 42 C LEU B 87 5.026 24.573 17.004 1.00 46.94 C ATOM 43 O LEU B 87 6.085 24.608 16.378 1.00 47.21 O ATOM 44 CB LEU B 87 3.491 23.283 15.522 1.00 29.43 C ATOM 45 CG LEU B 87 2.247 23.197 14.640 1.00 33.36 C ATOM 46 CD1 LEU B 87 2.200 21.844 13.957 1.00 30.04 C ATOM 47 CD2 LEU B 87 0.984 23.440 15.446 1.00 26.70 C ATOM 48 H LEU B 87 3.879 25.616 14.369 1.00 0.00 H ATOM 49 N ASP B 88 4.967 24.515 18.330 1.00 41.03 N ATOM 50 CA ASP B 88 6.158 24.301 19.132 1.00 41.81 C ATOM 51 C ASP B 88 6.469 22.812 19.124 1.00 35.97 C ATOM 52 O ASP B 88 5.836 22.035 19.836 1.00 31.88 O ATOM 53 CB ASP B 88 5.947 24.808 20.560 1.00 38.80 C ATOM 54 CG ASP B 88 7.234 24.815 21.378 1.00 51.01 C ATOM 55 OD1 ASP B 88 7.980 23.811 21.342 1.00 40.77 O ATOM 56 OD2 ASP B 88 7.501 25.829 22.060 1.00 47.53 O ATOM 57 H ASP B 88 4.048 24.625 18.804 1.00 0.00 H ATOM 58 N LEU B 89 7.444 22.422 18.308 1.00 40.46 N ATOM 59 CA LEU B 89 7.798 21.016 18.142 1.00 47.54 C ATOM 60 C LEU B 89 8.435 20.423 19.393 1.00 56.41 C ATOM 61 O LEU B 89 8.290 19.232 19.665 1.00 60.11 O ATOM 62 CB LEU B 89 8.732 20.831 16.944 1.00 53.13 C ATOM 63 CG LEU B 89 8.175 21.173 15.562 1.00 44.89 C ATOM 64 CD1 LEU B 89 9.116 20.652 14.491 1.00 35.64 C ATOM 65 CD2 LEU B 89 6.782 20.586 15.381 1.00 43.60 C ATOM 66 H LEU B 89 7.970 23.141 17.772 1.00 0.00 H ATOM 67 N GLU B 90 9.149 21.252 20.147 1.00 59.37 N ATOM 68 CA GLU B 90 9.744 20.801 21.397 1.00 60.28 C ATOM 69 C GLU B 90 8.671 20.269 22.332 1.00 58.84 C ATOM 70 O GLU B 90 8.836 19.222 22.956 1.00 65.86 O ATOM 71 CB GLU B 90 10.507 21.934 22.083 1.00 56.84 C ATOM 72 CG GLU B 90 11.831 22.268 21.434 1.00 63.89 C ATOM 73 CD GLU B 90 12.844 22.789 22.432 1.00 63.58 C ATOM 74 OE1 GLU B 90 12.438 23.160 23.555 1.00 63.20 O ATOM 75 OE2 GLU B 90 14.046 22.818 22.096 1.00 54.29 O ATOM 76 H GLU B 90 9.285 22.236 19.840 1.00 0.00 H ATOM 77 N ARG B 91 7.566 20.997 22.424 1.00 56.13 N ATOM 78 CA ARG B 91 6.481 20.608 23.312 1.00 66.56 C ATOM 79 C ARG B 91 5.613 19.516 22.694 1.00 68.30 C ATOM 80 O ARG B 91 5.079 18.666 23.404 1.00 77.84 O ATOM 81 CB ARG B 91 5.643 21.828 23.700 1.00 65.24 C ATOM 82 CG ARG B 91 6.461 22.920 24.374 1.00 70.54 C ATOM 83 CD ARG B 91 5.587 24.043 24.899 1.00 80.75 C ATOM 84 NE ARG B 91 6.375 25.091 25.541 1.00 86.96 N ATOM 85 CZ ARG B 91 6.817 25.031 26.793 1.00 95.21 C ATOM 86 NH1 ARG B 91 6.553 23.969 27.543 1.00 98.35 N ATOM 87 NH2 ARG B 91 7.528 26.031 27.298 1.00 94.60 N ATOM 88 HE ARG B 91 6.605 25.938 24.983 1.00 0.00 H ATOM 89 HH12 ARG B 91 6.900 23.925 28.522 1.00 0.00 H ATOM 90 HH11 ARG B 91 5.999 23.181 27.152 1.00 0.00 H ATOM 91 HH22 ARG B 91 7.872 25.981 28.278 1.00 0.00 H ATOM 92 HH21 ARG B 91 7.741 26.865 26.714 1.00 0.00 H ATOM 93 H ARG B 91 7.474 21.860 21.852 1.00 0.00 H ATOM 94 N LEU B 92 5.487 19.534 21.371 1.00 59.94 N ATOM 95 CA LEU B 92 4.699 18.525 20.670 1.00 68.72 C ATOM 96 C LEU B 92 5.244 17.118 20.890 1.00 75.91 C ATOM 97 O LEU B 92 4.502 16.211 21.267 1.00 84.03 O ATOM 98 CB LEU B 92 4.634 18.827 19.173 1.00 67.06 C ATOM 99 CG LEU B 92 4.109 17.690 18.290 1.00 65.56 C ATOM 100 CD1 LEU B 92 2.759 17.186 18.785 1.00 60.19 C ATOM 101 CD2 LEU B 92 4.021 18.133 16.838 1.00 69.46 C ATOM 102 H LEU B 92 5.959 20.282 20.824 1.00 0.00 H ATOM 103 N ALA B 93 6.537 16.936 20.646 1.00 66.81 N ATOM 104 CA ALA B 93 7.162 15.628 20.817 1.00 66.95 C ATOM 105 C ALA B 93 7.095 15.153 22.271 1.00 71.14 C ATOM 106 O ALA B 93 7.108 13.950 22.539 1.00 75.18 O ATOM 107 CB ALA B 93 8.601 15.657 20.324 1.00 64.30 C ATOM 108 H ALA B 93 7.115 17.740 20.327 1.00 0.00 H ATOM 109 N HIS B 94 7.011 16.100 23.203 1.00 70.74 N ATOM 110 CA HIS B 94 6.965 15.780 24.631 1.00 73.94 C ATOM 111 C HIS B 94 5.539 15.631 25.176 1.00 78.22 C ATOM 112 O HIS B 94 5.299 15.821 26.370 1.00 74.96 O ATOM 113 CB HIS B 94 7.731 16.822 25.433 1.00 73.89 C ATOM 114 H HIS B 94 6.977 17.097 22.908 1.00 0.00 H ATOM 115 N VAL B 95 4.598 15.294 24.298 1.00 75.03 N ATOM 116 CA VAL B 95 3.224 15.027 24.710 1.00 70.49 C ATOM 117 C VAL B 95 2.943 13.532 24.571 1.00 79.01 C ATOM 118 O VAL B 95 3.362 12.915 23.589 1.00 68.44 O ATOM 119 CB VAL B 95 2.211 15.842 23.870 1.00 63.69 C ATOM 120 CG1 VAL B 95 0.778 15.425 24.182 1.00 55.45 C ATOM 121 CG2 VAL B 95 2.396 17.332 24.111 1.00 57.99 C ATOM 122 H VAL B 95 4.848 15.219 23.291 1.00 0.00 H ATOM 123 N PRO B 96 2.246 12.942 25.560 1.00 92.37 N ATOM 124 CA PRO B 96 1.951 11.506 25.536 1.00 95.88 C ATOM 125 C PRO B 96 1.694 11.008 24.119 1.00 94.16 C ATOM 126 O PRO B 96 0.806 11.517 23.434 1.00 79.63 O ATOM 127 CB PRO B 96 0.686 11.410 26.384 1.00 99.12 C ATOM 128 CG PRO B 96 0.873 12.481 27.410 1.00 98.53 C ATOM 129 CD PRO B 96 1.644 13.600 26.734 1.00 95.77 C ATOM 130 N GLN B 97 2.479 10.022 23.694 1.00105.68 N ATOM 131 CA GLN B 97 2.449 9.525 22.322 1.00109.25 C ATOM 132 C GLN B 97 1.064 9.042 21.902 1.00107.83 C ATOM 133 O GLN B 97 0.844 8.695 20.741 1.00105.64 O ATOM 134 CB GLN B 97 3.470 8.396 22.150 1.00115.12 C ATOM 135 CG GLN B 97 4.862 8.731 22.671 1.00113.54 C ATOM 136 CD GLN B 97 5.518 9.865 21.906 1.00109.55 C ATOM 137 OE1 GLN B 97 5.613 9.829 20.679 1.00104.89 O ATOM 138 NE2 GLN B 97 5.974 10.882 22.630 1.00110.46 N ATOM 139 HE22 GLN B 97 5.872 10.870 23.665 1.00 0.00 H ATOM 140 HE21 GLN B 97 6.433 11.689 22.162 1.00 0.00 H ATOM 141 H GLN B 97 3.142 9.587 24.367 1.00 0.00 H ATOM 142 N GLU B 98 0.137 9.022 22.853 1.00 90.16 N ATOM 143 CA GLU B 98 -1.226 8.579 22.593 1.00 91.08 C ATOM 144 C GLU B 98 -2.098 9.720 22.080 1.00 81.93 C ATOM 145 O GLU B 98 -2.833 9.565 21.105 1.00 81.29 O ATOM 146 CB GLU B 98 -1.847 7.999 23.867 1.00 97.81 C ATOM 147 CG GLU B 98 -3.297 7.572 23.704 1.00102.79 C ATOM 148 CD GLU B 98 -4.052 7.547 25.019 1.00102.33 C ATOM 149 OE1 GLU B 98 -3.836 6.610 25.817 1.00 98.47 O ATOM 150 OE2 GLU B 98 -4.864 8.468 25.252 1.00100.59 O ATOM 151 H GLU B 98 0.392 9.332 23.812 1.00 0.00 H ATOM 152 N LYS B 99 -2.010 10.867 22.745 1.00 76.38 N ATOM 153 CA LYS B 99 -2.865 12.006 22.431 1.00 76.73 C ATOM 154 C LYS B 99 -2.321 12.847 21.278 1.00 72.37 C ATOM 155 O LYS B 99 -3.086 13.462 20.535 1.00 72.76 O ATOM 156 CB LYS B 99 -3.055 12.882 23.672 1.00 75.25 C ATOM 157 CG LYS B 99 -3.549 12.120 24.891 1.00 81.68 C ATOM 158 CD LYS B 99 -3.593 13.008 26.124 1.00 85.47 C ATOM 159 CE LYS B 99 -3.752 12.176 27.386 1.00 86.38 C ATOM 160 NZ LYS B 99 -2.638 11.196 27.537 1.00 82.61 N ATOM 161 HZ1 LYS B 99 -2.628 10.555 26.718 1.00 0.00 H ATOM 162 HZ2 LYS B 99 -1.734 11.707 27.590 1.00 0.00 H ATOM 163 HZ3 LYS B 99 -2.778 10.645 28.408 1.00 0.00 H ATOM 164 H LYS B 99 -1.312 10.955 23.511 1.00 0.00 H ATOM 165 N ALA B 100 -1.000 12.871 21.132 1.00 65.84 N ATOM 166 CA ALA B 100 -0.359 13.707 20.123 1.00 67.53 C ATOM 167 C ALA B 100 0.199 12.890 18.962 1.00 67.94 C ATOM 168 O ALA B 100 1.009 13.384 18.181 1.00 66.78 O ATOM 169 CB ALA B 100 0.742 14.541 20.754 1.00 68.65 C ATOM 170 H ALA B 100 -0.410 12.280 21.752 1.00 0.00 H ATOM 171 N GLY B 101 -0.237 11.641 18.855 1.00 66.05 N ATOM 172 CA GLY B 101 0.233 10.764 17.799 1.00 59.40 C ATOM 173 C GLY B 101 -0.030 11.320 16.415 1.00 57.84 C ATOM 174 O GLY B 101 0.902 11.533 15.640 1.00 57.71 O ATOM 175 H GLY B 101 -0.930 11.283 19.543 1.00 0.00 H ATOM 176 N PRO B 102 -1.310 11.558 16.095 1.00 59.09 N ATOM 177 CA PRO B 102 -1.725 12.048 14.776 1.00 52.71 C ATOM 178 C PRO B 102 -1.055 13.366 14.408 1.00 44.25 C ATOM 179 O PRO B 102 -0.710 13.576 13.245 1.00 44.19 O ATOM 180 CB PRO B 102 -3.234 12.253 14.941 1.00 58.01 C ATOM 181 CG PRO B 102 -3.622 11.312 16.030 1.00 55.99 C ATOM 182 CD PRO B 102 -2.464 11.322 16.982 1.00 52.87 C ATOM 183 N LEU B 103 -0.873 14.244 15.387 1.00 43.07 N ATOM 184 CA LEU B 103 -0.256 15.542 15.133 1.00 44.00 C ATOM 185 C LEU B 103 1.232 15.422 14.807 1.00 41.14 C ATOM 186 O LEU B 103 1.750 16.155 13.969 1.00 47.40 O ATOM 187 CB LEU B 103 -0.457 16.478 16.323 1.00 36.07 C ATOM 188 CG LEU B 103 0.103 17.889 16.137 1.00 36.16 C ATOM 189 CD1 LEU B 103 -0.451 18.526 14.872 1.00 35.51 C ATOM 190 CD2 LEU B 103 -0.209 18.739 17.352 1.00 44.75 C ATOM 191 H LEU B 103 -1.176 14.003 16.352 1.00 0.00 H ATOM 192 N GLN B 104 1.913 14.497 15.476 1.00 37.69 N ATOM 193 CA GLN B 104 3.335 14.275 15.246 1.00 48.59 C ATOM 194 C GLN B 104 3.579 13.746 13.843 1.00 45.38 C ATOM 195 O GLN B 104 4.475 14.213 13.138 1.00 51.72 O ATOM 196 CB GLN B 104 3.897 13.284 16.264 1.00 50.91 C ATOM 197 CG GLN B 104 3.909 13.789 17.688 1.00 54.70 C ATOM 198 CD GLN B 104 4.303 12.709 18.673 1.00 64.20 C ATOM 199 OE1 GLN B 104 4.780 12.997 19.770 1.00 69.80 O ATOM 200 NE2 GLN B 104 4.102 11.454 18.286 1.00 65.58 N ATOM 201 HE22 GLN B 104 3.696 11.257 17.349 1.00 0.00 H ATOM 202 HE21 GLN B 104 4.351 10.668 18.920 1.00 0.00 H ATOM 203 H GLN B 104 1.418 13.916 16.182 1.00 0.00 H ATOM 204 N ARG B 105 2.784 12.759 13.447 1.00 38.43 N ATOM 205 CA ARG B 105 2.891 12.194 12.111 1.00 47.09 C ATOM 206 C ARG B 105 2.568 13.253 11.061 1.00 45.83 C ATOM 207 O ARG B 105 3.148 13.263 9.975 1.00 57.85 O ATOM 208 CB ARG B 105 1.969 10.981 11.960 1.00 49.08 C ATOM 209 CG ARG B 105 2.318 9.824 12.893 1.00 68.02 C ATOM 210 CD ARG B 105 1.505 8.573 12.580 1.00 68.64 C ATOM 211 NE ARG B 105 0.080 8.759 12.836 1.00 67.23 N ATOM 212 CZ ARG B 105 -0.513 8.484 13.992 1.00 72.90 C ATOM 213 NH1 ARG B 105 0.197 8.010 15.007 1.00 66.04 N ATOM 214 NH2 ARG B 105 -1.816 8.684 14.135 1.00 81.07 N ATOM 215 HE ARG B 105 -0.509 9.131 12.063 1.00 0.00 H ATOM 216 HH12 ARG B 105 -0.269 7.795 15.912 1.00 0.00 H ATOM 217 HH11 ARG B 105 1.219 7.853 14.898 1.00 0.00 H ATOM 218 HH22 ARG B 105 -2.279 8.468 15.041 1.00 0.00 H ATOM 219 HH21 ARG B 105 -2.375 9.057 13.341 1.00 0.00 H ATOM 220 H ARG B 105 2.071 12.383 14.104 1.00 0.00 H ATOM 221 N TYR B 106 1.650 14.153 11.400 1.00 43.99 N ATOM 222 CA TYR B 106 1.230 15.201 10.477 1.00 39.04 C ATOM 223 C TYR B 106 2.310 16.261 10.326 1.00 40.42 C ATOM 224 O TYR B 106 2.527 16.793 9.238 1.00 32.65 O ATOM 225 CB TYR B 106 -0.061 15.856 10.956 1.00 37.15 C ATOM 226 CG TYR B 106 -0.741 16.694 9.898 1.00 36.26 C ATOM 227 CD1 TYR B 106 -1.741 16.156 9.098 1.00 37.82 C ATOM 228 CD2 TYR B 106 -0.381 18.019 9.695 1.00 33.98 C ATOM 229 CE1 TYR B 106 -2.366 16.914 8.129 1.00 39.80 C ATOM 230 CE2 TYR B 106 -0.999 18.786 8.726 1.00 28.97 C ATOM 231 CZ TYR B 106 -1.990 18.228 7.947 1.00 35.40 C ATOM 232 OH TYR B 106 -2.610 18.984 6.982 1.00 39.12 O ATOM 233 HH TYR B 106 -3.048 19.764 7.406 1.00 0.00 H ATOM 234 H TYR B 106 1.221 14.109 12.346 1.00 0.00 H ATOM 235 N ALA B 107 2.981 16.575 11.427 1.00 36.62 N ATOM 236 CA ALA B 107 4.068 17.538 11.387 1.00 36.53 C ATOM 237 C ALA B 107 5.273 16.928 10.675 1.00 39.37 C ATOM 238 O ALA B 107 5.990 17.614 9.945 1.00 40.25 O ATOM 239 CB ALA B 107 4.435 17.992 12.794 1.00 33.09 C ATOM 240 H ALA B 107 2.726 16.126 12.330 1.00 0.00 H ATOM 241 N ALA B 108 5.483 15.632 10.882 1.00 37.52 N ATOM 242 CA ALA B 108 6.575 14.919 10.221 1.00 40.88 C ATOM 243 C ALA B 108 6.404 14.939 8.710 1.00 42.18 C ATOM 244 O ALA B 108 7.361 15.185 7.974 1.00 44.19 O ATOM 245 CB ALA B 108 6.667 13.486 10.724 1.00 42.13 C ATOM 246 H ALA B 108 4.856 15.113 11.529 1.00 0.00 H ATOM 247 N THR B 109 5.182 14.681 8.251 1.00 40.25 N ATOM 248 CA THR B 109 4.889 14.690 6.821 1.00 40.93 C ATOM 249 C THR B 109 5.194 16.051 6.196 1.00 42.85 C ATOM 250 O THR B 109 5.820 16.126 5.139 1.00 44.85 O ATOM 251 CB THR B 109 3.423 14.310 6.528 1.00 40.41 C ATOM 252 OG1 THR B 109 3.158 12.993 7.021 1.00 39.37 O ATOM 253 CG2 THR B 109 3.154 14.347 5.030 1.00 30.09 C ATOM 254 HG1 THR B 109 3.314 12.970 7.998 1.00 0.00 H ATOM 255 H THR B 109 4.419 14.468 8.925 1.00 0.00 H ATOM 256 N ILE B 110 4.757 17.126 6.847 1.00 36.22 N ATOM 257 CA ILE B 110 5.002 18.469 6.326 1.00 38.58 C ATOM 258 C ILE B 110 6.496 18.749 6.229 1.00 44.78 C ATOM 259 O ILE B 110 6.968 19.344 5.262 1.00 52.03 O ATOM 260 CB ILE B 110 4.372 19.558 7.202 1.00 36.09 C ATOM 261 CG1 ILE B 110 2.865 19.340 7.337 1.00 38.12 C ATOM 262 CG2 ILE B 110 4.664 20.933 6.615 1.00 32.03 C ATOM 263 CD1 ILE B 110 2.117 19.504 6.040 1.00 47.07 C ATOM 264 H ILE B 110 4.234 17.009 7.738 1.00 0.00 H ATOM 265 N GLN B 111 7.236 18.318 7.244 1.00 48.24 N ATOM 266 CA GLN B 111 8.677 18.523 7.272 1.00 45.77 C ATOM 267 C GLN B 111 9.377 17.784 6.137 1.00 45.11 C ATOM 268 O GLN B 111 10.302 18.314 5.525 1.00 57.01 O ATOM 269 CB GLN B 111 9.256 18.092 8.618 1.00 48.41 C ATOM 270 CG GLN B 111 8.787 18.934 9.787 1.00 49.67 C ATOM 271 CD GLN B 111 9.494 18.576 11.075 1.00 53.69 C ATOM 272 OE1 GLN B 111 9.310 17.484 11.617 1.00 54.09 O ATOM 273 NE2 GLN B 111 10.318 19.491 11.569 1.00 55.55 N ATOM 274 HE22 GLN B 111 10.442 20.399 11.077 1.00 0.00 H ATOM 275 HE21 GLN B 111 10.840 19.300 12.448 1.00 0.00 H ATOM 276 H GLN B 111 6.777 17.824 8.035 1.00 0.00 H ATOM 277 N SER B 112 8.937 16.562 5.851 1.00 39.47 N ATOM 278 CA SER B 112 9.546 15.800 4.769 1.00 55.81 C ATOM 279 C SER B 112 9.225 16.427 3.416 1.00 49.43 C ATOM 280 O SER B 112 10.063 16.440 2.517 1.00 64.29 O ATOM 281 CB SER B 112 9.117 14.327 4.806 1.00 60.96 C ATOM 282 OG SER B 112 7.735 14.181 4.543 1.00 69.31 O ATOM 283 HG SER B 112 7.216 14.676 5.226 1.00 0.00 H ATOM 284 H SER B 112 8.157 16.150 6.401 1.00 0.00 H ATOM 285 N GLN B 113 8.016 16.962 3.283 1.00 44.43 N ATOM 286 CA GLN B 113 7.580 17.538 2.016 1.00 44.19 C ATOM 287 C GLN B 113 8.259 18.868 1.721 1.00 50.81 C ATOM 288 O GLN B 113 8.372 19.269 0.565 1.00 63.14 O ATOM 289 CB GLN B 113 6.066 17.694 1.989 1.00 46.15 C ATOM 290 CG GLN B 113 5.327 16.372 1.935 1.00 50.42 C ATOM 291 CD GLN B 113 3.828 16.556 1.911 1.00 63.93 C ATOM 292 OE1 GLN B 113 3.328 17.664 2.096 1.00 72.60 O ATOM 293 NE2 GLN B 113 3.099 15.470 1.681 1.00 68.46 N ATOM 294 HE22 GLN B 113 3.566 14.553 1.530 1.00 0.00 H ATOM 295 HE21 GLN B 113 2.062 15.537 1.652 1.00 0.00 H ATOM 296 H GLN B 113 7.369 16.970 4.097 1.00 0.00 H ATOM 297 N ARG B 114 8.713 19.544 2.772 1.00 50.28 N ATOM 298 CA ARG B 114 9.456 20.789 2.623 1.00 47.10 C ATOM 299 C ARG B 114 10.963 20.531 2.547 1.00 54.24 C ATOM 300 O ARG B 114 11.718 21.361 2.041 1.00 53.50 O ATOM 301 CB ARG B 114 9.174 21.731 3.796 1.00 43.32 C ATOM 302 CG ARG B 114 7.731 22.180 3.952 1.00 42.77 C ATOM 303 CD ARG B 114 7.623 23.145 5.132 1.00 35.97 C ATOM 304 NE ARG B 114 6.261 23.623 5.353 1.00 29.24 N ATOM 305 CZ ARG B 114 5.911 24.434 6.347 1.00 28.64 C ATOM 306 NH1 ARG B 114 6.822 24.852 7.215 1.00 29.17 N ATOM 307 NH2 ARG B 114 4.652 24.823 6.480 1.00 31.61 N ATOM 308 HE ARG B 114 5.520 23.310 4.693 1.00 0.00 H ATOM 309 HH12 ARG B 114 6.547 25.486 7.992 1.00 0.00 H ATOM 310 HH11 ARG B 114 7.811 24.546 7.119 1.00 0.00 H ATOM 311 HH22 ARG B 114 4.383 25.457 7.259 1.00 0.00 H ATOM 312 HH21 ARG B 114 3.932 24.494 5.805 1.00 0.00 H ATOM 313 H ARG B 114 8.533 19.174 3.727 1.00 0.00 H ATOM 314 N GLY B 115 11.398 19.389 3.071 1.00 62.56 N ATOM 315 CA GLY B 115 12.814 19.068 3.122 1.00 57.26 C ATOM 316 C GLY B 115 13.535 19.745 4.275 1.00 59.13 C ATOM 317 O GLY B 115 14.763 19.841 4.283 1.00 67.61 O ATOM 318 H GLY B 115 10.709 18.710 3.453 1.00 0.00 H ATOM 319 N ALA B 116 12.767 20.224 5.248 1.00 57.08 N ATOM 320 CA ALA B 116 13.331 20.830 6.448 1.00 55.70 C ATOM 321 C ALA B 116 12.861 20.046 7.665 1.00 57.87 C ATOM 322 O ALA B 116 11.694 20.117 8.050 1.00 60.84 O ATOM 323 CB ALA B 116 12.917 22.286 6.556 1.00 51.09 C ATOM 324 H ALA B 116 11.733 20.165 5.151 1.00 0.00 H ATOM 325 N TYR B 117 13.777 19.299 8.269 1.00 59.08 N ATOM 326 CA TYR B 117 13.417 18.324 9.288 1.00 63.67 C ATOM 327 C TYR B 117 13.798 18.767 10.691 1.00 70.75 C ATOM 328 O TYR B 117 13.227 18.298 11.677 1.00 79.75 O ATOM 329 CB TYR B 117 14.096 16.992 8.988 1.00 60.75 C ATOM 330 CG TYR B 117 13.944 16.543 7.560 1.00 61.90 C ATOM 331 CD1 TYR B 117 12.872 15.752 7.171 1.00 66.43 C ATOM 332 CD2 TYR B 117 14.873 16.911 6.598 1.00 61.50 C ATOM 333 CE1 TYR B 117 12.732 15.335 5.862 1.00 69.23 C ATOM 334 CE2 TYR B 117 14.742 16.502 5.288 1.00 69.29 C ATOM 335 CZ TYR B 117 13.670 15.713 4.924 1.00 67.41 C ATOM 336 OH TYR B 117 13.536 15.304 3.618 1.00 70.00 O ATOM 337 HH TYR B 117 13.463 16.098 3.031 1.00 0.00 H ATOM 338 H TYR B 117 14.777 19.413 8.008 1.00 0.00 H ATOM 339 N ASN B 118 14.777 19.658 10.781 1.00 67.26 N ATOM 340 CA ASN B 118 15.251 20.115 12.078 1.00 70.46 C ATOM 341 C ASN B 118 14.815 21.537 12.381 1.00 78.04 C ATOM 342 O ASN B 118 15.281 22.488 11.753 1.00 88.58 O ATOM 343 CB ASN B 118 16.769 19.981 12.176 1.00 75.25 C ATOM 344 CG ASN B 118 17.227 18.538 12.096 1.00 70.03 C ATOM 345 OD1 ASN B 118 17.307 17.962 11.011 1.00 53.72 O ATOM 346 ND2 ASN B 118 17.524 17.944 13.248 1.00 76.79 N ATOM 347 HD22 ASN B 118 17.442 18.471 14.141 1.00 0.00 H ATOM 348 HD21 ASN B 118 17.839 16.953 13.256 1.00 0.00 H ATOM 349 H ASN B 118 15.211 20.034 9.914 1.00 0.00 H ATOM 350 N GLY B 119 13.906 21.665 13.340 1.00 60.22 N ATOM 351 CA GLY B 119 13.388 22.956 13.743 1.00 51.41 C ATOM 352 C GLY B 119 12.770 22.879 15.125 1.00 51.24 C ATOM 353 O GLY B 119 12.212 21.850 15.513 1.00 32.65 O ATOM 354 H GLY B 119 13.554 20.811 13.817 1.00 0.00 H ATOM 355 N LYS B 120 12.891 23.967 15.876 1.00 59.76 N ATOM 356 CA LYS B 120 12.254 24.085 17.181 1.00 64.00 C ATOM 357 C LYS B 120 10.762 24.334 16.996 1.00 56.32 C ATOM 358 O LYS B 120 9.954 24.002 17.862 1.00 53.12 O ATOM 359 CB LYS B 120 12.875 25.241 17.971 1.00 75.98 C ATOM 360 CG LYS B 120 12.755 26.598 17.275 1.00 85.72 C ATOM 361 CD LYS B 120 13.430 27.711 18.074 1.00 89.84 C ATOM 362 CE LYS B 120 13.249 29.070 17.403 1.00 84.81 C ATOM 363 NZ LYS B 120 11.835 29.544 17.435 1.00 77.34 N ATOM 364 HZ1 LYS B 120 11.230 28.860 16.938 1.00 0.00 H ATOM 365 HZ2 LYS B 120 11.522 29.632 18.423 1.00 0.00 H ATOM 366 HZ3 LYS B 120 11.770 30.470 16.966 1.00 0.00 H ATOM 367 H LYS B 120 13.460 24.762 15.521 1.00 0.00 H ATOM 368 N VAL B 121 10.409 24.928 15.859 1.00 53.02 N ATOM 369 CA VAL B 121 9.025 25.264 15.549 1.00 51.27 C ATOM 370 C VAL B 121 8.676 24.930 14.101 1.00 56.76 C ATOM 371 O VAL B 121 9.545 24.570 13.306 1.00 57.83 O ATOM 372 CB VAL B 121 8.742 26.756 15.794 1.00 48.07 C ATOM 373 CG1 VAL B 121 8.868 27.083 17.274 1.00 56.15 C ATOM 374 CG2 VAL B 121 9.679 27.617 14.968 1.00 45.03 C ATOM 375 H VAL B 121 11.148 25.161 15.166 1.00 0.00 H ATOM 376 N LEU B 122 7.396 25.053 13.769 1.00 48.39 N ATOM 377 CA LEU B 122 6.917 24.764 12.425 1.00 39.64 C ATOM 378 C LEU B 122 5.604 25.492 12.157 1.00 40.55 C ATOM 379 O LEU B 122 4.581 25.186 12.767 1.00 38.24 O ATOM 380 CB LEU B 122 6.714 23.258 12.240 1.00 33.21 C ATOM 381 CG LEU B 122 6.354 22.775 10.831 1.00 40.45 C ATOM 382 CD1 LEU B 122 7.580 22.810 9.926 1.00 30.32 C ATOM 383 CD2 LEU B 122 5.756 21.375 10.868 1.00 29.80 C ATOM 384 H LEU B 122 6.715 25.365 14.491 1.00 0.00 H ATOM 385 N SER B 123 5.646 26.465 11.255 1.00 37.77 N ATOM 386 CA SER B 123 4.443 27.147 10.806 1.00 40.03 C ATOM 387 C SER B 123 3.669 26.240 9.864 1.00 43.43 C ATOM 388 O SER B 123 4.258 25.545 9.035 1.00 43.97 O ATOM 389 CB SER B 123 4.792 28.453 10.088 1.00 54.19 C ATOM 390 OG SER B 123 5.252 29.437 10.997 1.00 62.17 O ATOM 391 HG SER B 123 5.468 30.267 10.502 1.00 0.00 H ATOM 392 H SER B 123 6.565 26.747 10.858 1.00 0.00 H ATOM 393 N ILE B 124 2.347 26.247 10.000 1.00 35.86 N ATOM 394 CA ILE B 124 1.482 25.430 9.160 1.00 31.87 C ATOM 395 C ILE B 124 0.336 26.272 8.619 1.00 33.08 C ATOM 396 O ILE B 124 -0.013 27.301 9.198 1.00 33.90 O ATOM 397 CB ILE B 124 0.883 24.252 9.945 1.00 25.86 C ATOM 398 CG1 ILE B 124 -0.037 24.778 11.049 1.00 32.34 C ATOM 399 CG2 ILE B 124 1.981 23.382 10.526 1.00 36.21 C ATOM 400 CD1 ILE B 124 -0.617 23.701 11.929 1.00 29.65 C ATOM 401 H ILE B 124 1.918 26.854 10.727 1.00 0.00 H ATOM 402 N ARG B 125 -0.255 25.818 7.516 1.00 39.25 N ATOM 403 CA ARG B 125 -1.360 26.523 6.874 1.00 32.00 C ATOM 404 C ARG B 125 -2.620 26.499 7.725 1.00 33.28 C ATOM 405 O ARG B 125 -2.934 25.493 8.355 1.00 32.04 O ATOM 406 CB ARG B 125 -1.661 25.907 5.505 1.00 34.75 C ATOM 407 CG ARG B 125 -0.471 25.863 4.573 1.00 37.58 C ATOM 408 CD ARG B 125 -0.782 25.147 3.259 1.00 32.73 C ATOM 409 NE ARG B 125 0.398 25.138 2.396 1.00 42.34 N ATOM 410 CZ ARG B 125 0.444 24.605 1.179 1.00 46.70 C ATOM 411 NH1 ARG B 125 -0.628 24.023 0.659 1.00 29.93 N ATOM 412 NH2 ARG B 125 1.571 24.656 0.481 1.00 44.75 N ATOM 413 HE ARG B 125 1.265 25.581 2.761 1.00 0.00 H ATOM 414 HH12 ARG B 125 -0.584 23.608 -0.294 1.00 0.00 H ATOM 415 HH11 ARG B 125 -1.513 23.981 1.204 1.00 0.00 H ATOM 416 HH22 ARG B 125 1.612 24.240 -0.471 1.00 0.00 H ATOM 417 HH21 ARG B 125 2.414 25.112 0.886 1.00 0.00 H ATOM 418 H ARG B 125 0.083 24.928 7.096 1.00 0.00 H ATOM 419 N GLN B 126 -3.342 27.614 7.732 1.00 40.23 N ATOM 420 CA GLN B 126 -4.629 27.690 8.409 1.00 36.97 C ATOM 421 C GLN B 126 -5.480 26.454 8.132 1.00 38.66 C ATOM 422 O GLN B 126 -6.060 25.871 9.045 1.00 37.42 O ATOM 423 CB GLN B 126 -5.376 28.953 7.981 1.00 40.94 C ATOM 424 CG GLN B 126 -4.947 30.184 8.740 1.00 57.84 C ATOM 425 CD GLN B 126 -5.148 30.019 10.231 1.00 80.02 C ATOM 426 OE1 GLN B 126 -6.136 29.430 10.674 1.00 82.59 O ATOM 427 NE2 GLN B 126 -4.203 30.521 11.015 1.00 85.02 N ATOM 428 HE22 GLN B 126 -3.386 31.011 10.597 1.00 0.00 H ATOM 429 HE21 GLN B 126 -4.279 30.425 12.048 1.00 0.00 H ATOM 430 H GLN B 126 -2.978 28.455 7.241 1.00 0.00 H ATOM 431 N ASP B 127 -5.540 26.052 6.866 1.00 36.61 N ATOM 432 CA ASP B 127 -6.358 24.915 6.464 1.00 39.40 C ATOM 433 C ASP B 127 -5.953 23.639 7.204 1.00 41.21 C ATOM 434 O ASP B 127 -6.779 22.763 7.446 1.00 44.85 O ATOM 435 CB ASP B 127 -6.277 24.706 4.948 1.00 58.44 C ATOM 436 CG ASP B 127 -7.407 23.839 4.416 1.00 74.41 C ATOM 437 OD1 ASP B 127 -8.570 24.042 4.831 1.00 83.13 O ATOM 438 OD2 ASP B 127 -7.130 22.953 3.581 1.00 71.23 O ATOM 439 H ASP B 127 -4.990 26.561 6.145 1.00 0.00 H ATOM 440 N ASP B 128 -4.680 23.541 7.572 1.00 39.41 N ATOM 441 CA ASP B 128 -4.186 22.361 8.276 1.00 33.59 C ATOM 442 C ASP B 128 -4.922 22.124 9.592 1.00 29.72 C ATOM 443 O ASP B 128 -5.029 20.989 10.053 1.00 37.41 O ATOM 444 CB ASP B 128 -2.675 22.459 8.515 1.00 31.33 C ATOM 445 CG ASP B 128 -1.878 22.335 7.231 1.00 33.77 C ATOM 446 OD1 ASP B 128 -2.330 21.602 6.330 1.00 35.82 O ATOM 447 OD2 ASP B 128 -0.810 22.973 7.115 1.00 33.32 O ATOM 448 H ASP B 128 -4.024 24.318 7.355 1.00 0.00 H ATOM 449 N LEU B 129 -5.422 23.198 10.192 1.00 29.35 N ATOM 450 CA LEU B 129 -6.151 23.109 11.452 1.00 31.57 C ATOM 451 C LEU B 129 -7.461 22.356 11.258 1.00 35.32 C ATOM 452 O LEU B 129 -7.847 21.532 12.085 1.00 41.72 O ATOM 453 CB LEU B 129 -6.435 24.506 12.002 1.00 36.39 C ATOM 454 CG LEU B 129 -6.730 24.597 13.499 1.00 52.13 C ATOM 455 CD1 LEU B 129 -5.490 24.230 14.302 1.00 37.16 C ATOM 456 CD2 LEU B 129 -7.208 25.993 13.857 1.00 63.26 C ATOM 457 H LEU B 129 -5.290 24.130 9.750 1.00 0.00 H ATOM 458 N ARG B 130 -8.141 22.647 10.155 1.00 38.10 N ATOM 459 CA ARG B 130 -9.407 21.997 9.836 1.00 46.87 C ATOM 460 C ARG B 130 -9.184 20.555 9.399 1.00 42.21 C ATOM 461 O ARG B 130 -10.048 19.699 9.572 1.00 53.55 O ATOM 462 CB ARG B 130 -10.147 22.790 8.760 1.00 54.07 C ATOM 463 CG ARG B 130 -10.597 24.165 9.231 1.00 75.19 C ATOM 464 CD ARG B 130 -10.917 25.082 8.062 1.00 94.14 C ATOM 465 NE ARG B 130 -9.716 25.695 7.498 1.00109.10 N ATOM 466 CZ ARG B 130 -9.512 27.007 7.422 1.00115.38 C ATOM 467 NH1 ARG B 130 -10.434 27.851 7.866 1.00115.25 N ATOM 468 NH2 ARG B 130 -8.389 27.478 6.894 1.00116.98 N ATOM 469 HE ARG B 130 -8.974 25.065 7.133 1.00 0.00 H ATOM 470 HH12 ARG B 130 -10.272 28.877 7.806 1.00 0.00 H ATOM 471 HH11 ARG B 130 -11.318 27.487 8.275 1.00 0.00 H ATOM 472 HH22 ARG B 130 -8.232 28.504 6.836 1.00 0.00 H ATOM 473 HH21 ARG B 130 -7.666 26.821 6.538 1.00 0.00 H ATOM 474 H ARG B 130 -7.760 23.359 9.500 1.00 0.00 H ATOM 475 N THR B 131 -8.011 20.293 8.840 1.00 34.18 N ATOM 476 CA THR B 131 -7.635 18.944 8.450 1.00 39.69 C ATOM 477 C THR B 131 -7.331 18.105 9.689 1.00 35.17 C ATOM 478 O THR B 131 -7.779 16.966 9.809 1.00 39.59 O ATOM 479 CB THR B 131 -6.409 18.960 7.518 1.00 33.31 C ATOM 480 OG1 THR B 131 -6.727 19.692 6.328 1.00 34.05 O ATOM 481 CG2 THR B 131 -5.999 17.545 7.143 1.00 32.88 C ATOM 482 HG1 THR B 131 -6.973 20.620 6.569 1.00 0.00 H ATOM 483 H THR B 131 -7.342 21.073 8.676 1.00 0.00 H ATOM 484 N LEU B 132 -6.575 18.686 10.613 1.00 26.96 N ATOM 485 CA LEU B 132 -6.231 18.020 11.861 1.00 36.89 C ATOM 486 C LEU B 132 -7.457 17.822 12.743 1.00 39.88 C ATOM 487 O LEU B 132 -7.556 16.836 13.471 1.00 45.51 O ATOM 488 CB LEU B 132 -5.171 18.824 12.613 1.00 37.04 C ATOM 489 CG LEU B 132 -3.746 18.673 12.089 1.00 36.25 C ATOM 490 CD1 LEU B 132 -2.922 19.895 12.443 1.00 29.34 C ATOM 491 CD2 LEU B 132 -3.114 17.401 12.639 1.00 40.08 C ATOM 492 H LEU B 132 -6.217 19.647 10.440 1.00 0.00 H ATOM 493 N ALA B 133 -8.386 18.769 12.680 1.00 39.82 N ATOM 494 CA ALA B 133 -9.644 18.643 13.405 1.00 41.19 C ATOM 495 C ALA B 133 -10.336 17.344 13.005 1.00 55.51 C ATOM 496 O ALA B 133 -10.800 16.593 13.858 1.00 60.13 O ATOM 497 CB ALA B 133 -10.541 19.834 13.127 1.00 35.78 C ATOM 498 H ALA B 133 -8.213 19.616 12.103 1.00 0.00 H ATOM 499 N VAL B 134 -10.392 17.077 11.704 1.00 50.24 N ATOM 500 CA VAL B 134 -10.998 15.846 11.217 1.00 41.64 C ATOM 501 C VAL B 134 -10.214 14.623 11.698 1.00 49.05 C ATOM 502 O VAL B 134 -10.798 13.647 12.164 1.00 52.79 O ATOM 503 CB VAL B 134 -11.110 15.838 9.678 1.00 44.60 C ATOM 504 CG1 VAL B 134 -11.492 14.454 9.179 1.00 42.22 C ATOM 505 CG2 VAL B 134 -12.122 16.873 9.218 1.00 37.81 C ATOM 506 H VAL B 134 -9.997 17.758 11.024 1.00 0.00 H ATOM 507 N ILE B 135 -8.890 14.692 11.591 1.00 46.48 N ATOM 508 CA ILE B 135 -8.010 13.620 12.047 1.00 46.47 C ATOM 509 C ILE B 135 -8.214 13.284 13.523 1.00 59.08 C ATOM 510 O ILE B 135 -7.975 12.155 13.951 1.00 69.76 O ATOM 511 CB ILE B 135 -6.528 13.987 11.821 1.00 49.84 C ATOM 512 CG1 ILE B 135 -6.239 14.144 10.324 1.00 34.87 C ATOM 513 CG2 ILE B 135 -5.607 12.941 12.439 1.00 45.66 C ATOM 514 CD1 ILE B 135 -4.804 14.499 10.010 1.00 30.81 C ATOM 515 H ILE B 135 -8.466 15.541 11.167 1.00 0.00 H ATOM 516 N TYR B 136 -8.656 14.271 14.296 1.00 62.92 N ATOM 517 CA TYR B 136 -8.858 14.096 15.731 1.00 55.16 C ATOM 518 C TYR B 136 -10.332 13.957 16.095 1.00 62.50 C ATOM 519 O TYR B 136 -10.679 13.899 17.275 1.00 66.14 O ATOM 520 CB TYR B 136 -8.264 15.277 16.501 1.00 52.79 C ATOM 521 CG TYR B 136 -6.815 15.110 16.900 1.00 55.33 C ATOM 522 CD1 TYR B 136 -6.474 14.561 18.128 1.00 48.28 C ATOM 523 CD2 TYR B 136 -5.788 15.513 16.056 1.00 51.22 C ATOM 524 CE1 TYR B 136 -5.153 14.410 18.502 1.00 39.52 C ATOM 525 CE2 TYR B 136 -4.463 15.365 16.422 1.00 49.90 C ATOM 526 CZ TYR B 136 -4.153 14.814 17.648 1.00 43.45 C ATOM 527 OH TYR B 136 -2.836 14.665 18.022 1.00 49.09 O ATOM 528 HH TYR B 136 -2.794 14.257 18.923 1.00 0.00 H ATOM 529 H TYR B 136 -8.864 15.195 13.866 1.00 0.00 H ATOM 530 N ASP B 137 -11.194 13.903 15.086 1.00 63.53 N ATOM 531 CA ASP B 137 -12.636 13.902 15.315 1.00 67.93 C ATOM 532 C ASP B 137 -13.002 14.929 16.383 1.00 65.28 C ATOM 533 O ASP B 137 -13.639 14.605 17.386 1.00 60.54 O ATOM 534 CB ASP B 137 -13.131 12.510 15.720 1.00 69.70 C ATOM 535 CG ASP B 137 -14.641 12.448 15.863 1.00 75.22 C ATOM 536 OD1 ASP B 137 -15.339 13.191 15.139 1.00 69.30 O ATOM 537 OD2 ASP B 137 -15.127 11.661 16.703 1.00 81.99 O ATOM 538 H ASP B 137 -10.834 13.860 14.111 1.00 0.00 H ATOM 539 N GLN B 138 -12.574 16.167 16.161 1.00 62.99 N ATOM 540 CA GLN B 138 -12.871 17.270 17.065 1.00 60.31 C ATOM 541 C GLN B 138 -13.166 18.521 16.253 1.00 56.35 C ATOM 542 O GLN B 138 -12.731 18.641 15.108 1.00 67.01 O ATOM 543 CB GLN B 138 -11.688 17.533 18.007 1.00 50.47 C ATOM 544 CG GLN B 138 -11.401 16.399 18.988 1.00 64.49 C ATOM 545 CD GLN B 138 -10.205 16.675 19.893 1.00 66.09 C ATOM 546 OE1 GLN B 138 -9.433 17.607 19.664 1.00 61.65 O ATOM 547 NE2 GLN B 138 -10.050 15.857 20.928 1.00 60.55 N ATOM 548 HE22 GLN B 138 -10.726 15.082 21.084 1.00 0.00 H ATOM 549 HE21 GLN B 138 -9.253 15.991 21.582 1.00 0.00 H ATOM 550 H GLN B 138 -12.006 16.356 15.310 1.00 0.00 H ATOM 551 N SER B 139 -13.911 19.449 16.842 1.00 46.21 N ATOM 552 CA SER B 139 -14.106 20.751 16.230 1.00 37.86 C ATOM 553 C SER B 139 -12.751 21.443 16.148 1.00 50.26 C ATOM 554 O SER B 139 -11.857 21.156 16.945 1.00 49.49 O ATOM 555 CB SER B 139 -15.068 21.594 17.062 1.00 45.46 C ATOM 556 OG SER B 139 -16.305 20.926 17.243 1.00 73.13 O ATOM 557 HG SER B 139 -16.909 21.493 17.785 1.00 0.00 H ATOM 558 H SER B 139 -14.362 19.240 17.756 1.00 0.00 H ATOM 559 N PRO B 140 -12.587 22.349 15.176 1.00 46.41 N ATOM 560 CA PRO B 140 -11.341 23.109 15.058 1.00 33.28 C ATOM 561 C PRO B 140 -11.018 23.869 16.346 1.00 40.66 C ATOM 562 O PRO B 140 -9.858 23.925 16.753 1.00 48.58 O ATOM 563 CB PRO B 140 -11.643 24.094 13.925 1.00 32.11 C ATOM 564 CG PRO B 140 -12.686 23.423 13.112 1.00 39.10 C ATOM 565 CD PRO B 140 -13.527 22.648 14.083 1.00 48.35 C ATOM 566 N SER B 141 -12.037 24.442 16.978 1.00 36.98 N ATOM 567 CA SER B 141 -11.846 25.228 18.196 1.00 41.85 C ATOM 568 C SER B 141 -11.351 24.366 19.353 1.00 46.65 C ATOM 569 O SER B 141 -10.462 24.766 20.108 1.00 43.36 O ATOM 570 CB SER B 141 -13.148 25.920 18.592 1.00 37.66 C ATOM 571 OG SER B 141 -14.176 24.965 18.798 1.00 47.95 O ATOM 572 HG SER B 141 -14.324 24.455 17.962 1.00 0.00 H ATOM 573 H SER B 141 -12.997 24.328 16.595 1.00 0.00 H ATOM 574 N VAL B 142 -11.935 23.181 19.492 1.00 36.25 N ATOM 575 CA VAL B 142 -11.526 22.257 20.538 1.00 37.76 C ATOM 576 C VAL B 142 -10.105 21.750 20.292 1.00 41.19 C ATOM 577 O VAL B 142 -9.291 21.712 21.213 1.00 46.79 O ATOM 578 CB VAL B 142 -12.503 21.071 20.671 1.00 36.40 C ATOM 579 CG1 VAL B 142 -11.964 20.040 21.649 1.00 30.51 C ATOM 580 CG2 VAL B 142 -13.873 21.565 21.111 1.00 39.33 C ATOM 581 H VAL B 142 -12.699 22.909 18.841 1.00 0.00 H ATOM 582 N LEU B 143 -9.807 21.370 19.052 1.00 28.53 N ATOM 583 CA LEU B 143 -8.456 20.943 18.700 1.00 31.96 C ATOM 584 C LEU B 143 -7.462 22.060 18.987 1.00 36.26 C ATOM 585 O LEU B 143 -6.445 21.847 19.644 1.00 46.64 O ATOM 586 CB LEU B 143 -8.368 20.539 17.228 1.00 35.64 C ATOM 587 CG LEU B 143 -6.975 20.065 16.800 1.00 48.00 C ATOM 588 CD1 LEU B 143 -6.589 18.784 17.533 1.00 51.93 C ATOM 589 CD2 LEU B 143 -6.896 19.867 15.296 1.00 43.58 C ATOM 590 H LEU B 143 -10.548 21.377 18.322 1.00 0.00 H ATOM 591 N THR B 144 -7.769 23.253 18.488 1.00 32.65 N ATOM 592 CA THR B 144 -6.950 24.430 18.734 1.00 27.95 C ATOM 593 C THR B 144 -6.693 24.608 20.228 1.00 40.88 C ATOM 594 O THR B 144 -5.577 24.925 20.643 1.00 41.17 O ATOM 595 CB THR B 144 -7.633 25.698 18.191 1.00 36.71 C ATOM 596 OG1 THR B 144 -7.868 25.550 16.788 1.00 46.49 O ATOM 597 CG2 THR B 144 -6.767 26.927 18.425 1.00 35.26 C ATOM 598 HG1 THR B 144 -8.454 24.767 16.634 1.00 0.00 H ATOM 599 H THR B 144 -8.623 23.348 17.902 1.00 0.00 H ATOM 600 N GLU B 145 -7.731 24.397 21.031 1.00 41.45 N ATOM 601 CA GLU B 145 -7.635 24.591 22.474 1.00 37.72 C ATOM 602 C GLU B 145 -6.730 23.549 23.129 1.00 40.97 C ATOM 603 O GLU B 145 -5.976 23.863 24.047 1.00 47.98 O ATOM 604 CB GLU B 145 -9.028 24.572 23.113 1.00 52.67 C ATOM 605 CG GLU B 145 -9.080 25.174 24.508 1.00 62.18 C ATOM 606 CD GLU B 145 -8.573 26.604 24.544 1.00 61.79 C ATOM 607 OE1 GLU B 145 -8.953 27.395 23.655 1.00 55.64 O ATOM 608 OE2 GLU B 145 -7.787 26.933 25.458 1.00 60.24 O ATOM 609 H GLU B 145 -8.634 24.086 20.620 1.00 0.00 H ATOM 610 N GLN B 146 -6.802 22.311 22.650 1.00 47.88 N ATOM 611 CA GLN B 146 -5.962 21.239 23.178 1.00 45.71 C ATOM 612 C GLN B 146 -4.478 21.525 22.948 1.00 54.38 C ATOM 613 O GLN B 146 -3.646 21.281 23.823 1.00 66.35 O ATOM 614 CB GLN B 146 -6.340 19.894 22.554 1.00 43.50 C ATOM 615 CG GLN B 146 -5.607 18.699 23.154 1.00 51.47 C ATOM 616 CD GLN B 146 -5.904 18.504 24.632 1.00 66.49 C ATOM 617 OE1 GLN B 146 -5.485 19.302 25.472 1.00 80.48 O ATOM 618 NE2 GLN B 146 -6.633 17.441 24.956 1.00 55.18 N ATOM 619 HE22 GLN B 146 -6.966 16.793 24.214 1.00 0.00 H ATOM 620 HE21 GLN B 146 -6.870 17.257 25.952 1.00 0.00 H ATOM 621 H GLN B 146 -7.471 22.101 21.882 1.00 0.00 H ATOM 622 N LEU B 147 -4.151 22.043 21.769 1.00 44.81 N ATOM 623 CA LEU B 147 -2.766 22.357 21.441 1.00 46.94 C ATOM 624 C LEU B 147 -2.237 23.486 22.314 1.00 48.18 C ATOM 625 O LEU B 147 -1.086 23.455 22.753 1.00 44.65 O ATOM 626 CB LEU B 147 -2.634 22.732 19.966 1.00 33.66 C ATOM 627 CG LEU B 147 -3.209 21.703 18.997 1.00 44.61 C ATOM 628 CD1 LEU B 147 -3.045 22.171 17.564 1.00 35.88 C ATOM 629 CD2 LEU B 147 -2.544 20.356 19.211 1.00 46.01 C ATOM 630 H LEU B 147 -4.896 22.228 21.068 1.00 0.00 H ATOM 631 N ILE B 148 -3.084 24.482 22.562 1.00 46.21 N ATOM 632 CA ILE B 148 -2.694 25.637 23.364 1.00 47.50 C ATOM 633 C ILE B 148 -2.427 25.247 24.814 1.00 49.74 C ATOM 634 O ILE B 148 -1.546 25.815 25.462 1.00 49.22 O ATOM 635 CB ILE B 148 -3.755 26.752 23.323 1.00 44.75 C ATOM 636 CG1 ILE B 148 -3.914 27.284 21.899 1.00 50.38 C ATOM 637 CG2 ILE B 148 -3.372 27.881 24.263 1.00 40.32 C ATOM 638 CD1 ILE B 148 -4.880 28.445 21.788 1.00 50.59 C ATOM 639 H ILE B 148 -4.048 24.436 22.175 1.00 0.00 H ATOM 640 N SER B 149 -3.184 24.277 25.320 1.00 49.44 N ATOM 641 CA SER B 149 -2.981 23.800 26.682 1.00 51.50 C ATOM 642 C SER B 149 -1.816 22.819 26.736 1.00 58.25 C ATOM 643 O SER B 149 -1.352 22.449 27.812 1.00 74.73 O ATOM 644 CB SER B 149 -4.255 23.158 27.243 1.00 56.71 C ATOM 645 OG SER B 149 -4.402 21.825 26.791 1.00 62.55 O ATOM 646 HG SER B 149 -4.454 21.817 25.802 1.00 0.00 H ATOM 647 H SER B 149 -3.932 23.853 24.735 1.00 0.00 H ATOM 648 N TRP B 150 -1.345 22.396 25.568 1.00 55.64 N ATOM 649 CA TRP B 150 -0.142 21.575 25.490 1.00 45.59 C ATOM 650 C TRP B 150 1.080 22.461 25.331 1.00 36.62 C ATOM 651 O TRP B 150 2.212 21.995 25.435 1.00 48.25 O ATOM 652 CB TRP B 150 -0.224 20.596 24.322 1.00 47.14 C ATOM 653 CG TRP B 150 -1.132 19.442 24.565 1.00 42.23 C ATOM 654 CD1 TRP B 150 -1.718 19.091 25.746 1.00 43.00 C ATOM 655 CD2 TRP B 150 -1.565 18.479 23.599 1.00 43.26 C ATOM 656 NE1 TRP B 150 -2.489 17.966 25.575 1.00 50.82 N ATOM 657 CE2 TRP B 150 -2.411 17.570 24.265 1.00 47.88 C ATOM 658 CE3 TRP B 150 -1.319 18.296 22.236 1.00 49.81 C ATOM 659 CZ2 TRP B 150 -3.012 16.496 23.614 1.00 49.39 C ATOM 660 CZ3 TRP B 150 -1.916 17.229 21.592 1.00 50.65 C ATOM 661 CH2 TRP B 150 -2.753 16.344 22.280 1.00 43.14 C ATOM 662 HE1 TRP B 150 -3.041 17.493 26.318 1.00 0.00 H ATOM 663 H TRP B 150 -1.843 22.655 24.693 1.00 0.00 H ATOM 664 N GLY B 151 0.842 23.745 25.077 1.00 42.55 N ATOM 665 CA GLY B 151 1.919 24.687 24.834 1.00 42.88 C ATOM 666 C GLY B 151 2.434 24.591 23.410 1.00 45.42 C ATOM 667 O GLY B 151 3.376 25.288 23.029 1.00 46.66 O ATOM 668 H GLY B 151 -0.141 24.083 25.052 1.00 0.00 H ATOM 669 N VAL B 152 1.810 23.717 22.624 1.00 48.13 N ATOM 670 CA VAL B 152 2.155 23.541 21.215 1.00 44.89 C ATOM 671 C VAL B 152 1.775 24.765 20.387 1.00 39.45 C ATOM 672 O VAL B 152 2.524 25.195 19.518 1.00 43.23 O ATOM 673 CB VAL B 152 1.459 22.303 20.620 1.00 42.96 C ATOM 674 CG1 VAL B 152 1.545 22.321 19.099 1.00 37.23 C ATOM 675 CG2 VAL B 152 2.064 21.026 21.193 1.00 34.05 C ATOM 676 H VAL B 152 1.047 23.137 23.028 1.00 0.00 H ATOM 677 N LEU B 153 0.598 25.315 20.652 1.00 42.80 N ATOM 678 CA LEU B 153 0.194 26.561 20.020 1.00 41.28 C ATOM 679 C LEU B 153 0.144 27.677 21.052 1.00 44.58 C ATOM 680 O LEU B 153 -0.019 27.429 22.247 1.00 50.31 O ATOM 681 CB LEU B 153 -1.174 26.420 19.348 1.00 38.98 C ATOM 682 CG LEU B 153 -1.266 25.655 18.028 1.00 32.92 C ATOM 683 CD1 LEU B 153 -2.715 25.612 17.559 1.00 29.72 C ATOM 684 CD2 LEU B 153 -0.376 26.288 16.966 1.00 27.82 C ATOM 685 H LEU B 153 -0.046 24.848 21.322 1.00 0.00 H ATOM 686 N ASP B 154 0.288 28.909 20.583 1.00 42.29 N ATOM 687 CA ASP B 154 0.202 30.063 21.459 1.00 63.09 C ATOM 688 C ASP B 154 -1.228 30.589 21.476 1.00 60.90 C ATOM 689 O ASP B 154 -2.027 30.264 20.598 1.00 53.14 O ATOM 690 CB ASP B 154 1.179 31.148 21.006 1.00 82.63 C ATOM 691 CG ASP B 154 0.972 32.455 21.734 1.00100.41 C ATOM 692 OD1 ASP B 154 0.421 33.390 21.120 1.00107.04 O ATOM 693 OD2 ASP B 154 1.346 32.545 22.922 1.00105.10 O ATOM 694 H ASP B 154 0.466 29.051 19.568 1.00 0.00 H ATOM 695 N ALA B 155 -1.545 31.393 22.485 1.00 56.87 N ATOM 696 CA ALA B 155 -2.885 31.949 22.643 1.00 67.89 C ATOM 697 C ALA B 155 -3.427 32.550 21.347 1.00 73.29 C ATOM 698 O ALA B 155 -4.624 32.466 21.072 1.00 79.91 O ATOM 699 CB ALA B 155 -2.897 32.990 23.755 1.00 62.23 C ATOM 700 H ALA B 155 -0.815 31.634 23.185 1.00 0.00 H ATOM 701 N ASP B 156 -2.542 33.154 20.558 1.00 75.87 N ATOM 702 CA ASP B 156 -2.932 33.790 19.303 1.00 79.15 C ATOM 703 C ASP B 156 -3.781 32.860 18.445 1.00 75.99 C ATOM 704 O ASP B 156 -4.764 33.283 17.841 1.00 85.20 O ATOM 705 CB ASP B 156 -1.696 34.216 18.507 1.00 88.79 C ATOM 706 CG ASP B 156 -0.753 35.081 19.313 1.00101.38 C ATOM 707 OD1 ASP B 156 -1.198 35.678 20.317 1.00103.08 O ATOM 708 OD2 ASP B 156 0.437 35.161 18.938 1.00105.19 O ATOM 709 H ASP B 156 -1.542 33.174 20.844 1.00 0.00 H ATOM 710 N ALA B 157 -3.388 31.592 18.400 1.00 62.22 N ATOM 711 CA ALA B 157 -4.045 30.600 17.558 1.00 59.13 C ATOM 712 C ALA B 157 -5.570 30.625 17.674 1.00 71.68 C ATOM 713 O ALA B 157 -6.277 30.317 16.712 1.00 71.34 O ATOM 714 CB ALA B 157 -3.511 29.207 17.871 1.00 51.95 C ATOM 715 H ALA B 157 -2.582 31.296 18.987 1.00 0.00 H ATOM 716 N ARG B 158 -6.072 30.992 18.849 1.00 81.62 N ATOM 717 CA ARG B 158 -7.513 30.999 19.092 1.00 93.00 C ATOM 718 C ARG B 158 -8.242 32.002 18.196 1.00 93.55 C ATOM 719 O ARG B 158 -9.393 31.786 17.811 1.00 84.45 O ATOM 720 CB ARG B 158 -7.815 31.284 20.568 1.00 93.95 C ATOM 721 CG ARG B 158 -9.285 31.135 20.937 1.00 95.07 C ATOM 722 CD ARG B 158 -9.539 31.411 22.414 1.00 95.83 C ATOM 723 NE ARG B 158 -8.970 30.387 23.289 1.00 93.25 N ATOM 724 CZ ARG B 158 -7.882 30.559 24.035 1.00 91.34 C ATOM 725 NH1 ARG B 158 -7.239 31.719 24.017 1.00 90.60 N ATOM 726 NH2 ARG B 158 -7.438 29.574 24.804 1.00 84.92 N ATOM 727 HE ARG B 158 -9.447 29.464 23.331 1.00 0.00 H ATOM 728 HH12 ARG B 158 -6.389 31.851 24.601 1.00 0.00 H ATOM 729 HH11 ARG B 158 -7.585 32.496 23.419 1.00 0.00 H ATOM 730 HH22 ARG B 158 -6.587 29.712 25.386 1.00 0.00 H ATOM 731 HH21 ARG B 158 -7.941 28.664 24.825 1.00 0.00 H ATOM 732 H ARG B 158 -5.426 31.280 19.611 1.00 0.00 H TER 733 ARG B 158 HETATM 734 O HOH 1 15.465 21.150 14.376 1.00 55.46 O HETATM 735 O HOH 2 12.642 21.811 11.861 1.00 51.72 O HETATM 736 O HOH 3 7.636 12.601 21.147 1.00 62.18 O HETATM 737 O HOH 4 11.377 24.881 22.805 1.00 56.40 O HETATM 738 O HOH 5 12.211 19.681 14.761 1.00 46.64 O HETATM 739 O HOH 6 14.903 16.026 1.899 1.00 58.58 O HETATM 740 O HOH 7 18.457 18.002 9.001 1.00 38.30 O HETATM 741 O HOH 8 2.613 7.640 19.064 1.00 55.85 O HETATM 742 O HOH 9 12.327 12.925 4.349 1.00 57.48 O HETATM 743 O HOH 10 10.817 16.308 -0.143 1.00 53.35 O HETATM 744 O HOH 11 9.467 25.771 24.029 1.00 69.86 O HETATM 745 O HOH 12 9.191 27.072 25.242 1.00 67.06 O HETATM 746 O HOH 13 -4.661 27.614 4.542 1.00 57.86 O HETATM 747 O HOH 14 -15.096 24.667 15.997 1.00 41.92 O HETATM 748 O HOH 15 -9.317 21.175 5.479 1.00 58.23 O HETATM 749 O HOH 16 7.036 15.053 14.560 1.00 56.30 O HETATM 750 O HOH 17 8.201 26.771 9.603 1.00 30.99 O HETATM 751 O HOH 18 -14.065 17.997 12.408 1.00 48.94 O HETATM 752 O HOH 19 9.280 29.100 -0.233 1.00 57.36 O HETATM 753 O HOH 20 16.891 19.586 7.167 1.00 53.04 O HETATM 754 O HOH 21 -7.146 34.814 19.725 1.00 55.04 O HETATM 755 P1 C A 2 2.752 23.299 -2.853 1.00 0.26 P HETATM 756 O2P C A 2 2.647 23.183 -4.405 1.00 -0.62 O HETATM 757 O1P C A 2 1.409 23.532 -2.042 1.00 -0.62 O HETATM 758 O5' C A 2 3.900 24.410 -2.721 1.00 -0.25 O HETATM 759 C5' C A 2 5.008 24.369 -3.533 1.00 0.11 C HETATM 760 C4' C A 2 6.062 25.316 -3.035 1.00 0.12 C HETATM 761 O4' C A 2 5.577 26.631 -2.984 1.00 -0.33 O HETATM 762 C1' C A 2 6.318 27.324 -1.989 1.00 0.22 C HETATM 763 C2' C A 2 7.387 26.379 -1.564 1.00 0.15 C HETATM 764 C3' C A 2 6.627 25.106 -1.656 1.00 0.15 C HETATM 765 O3' C A 2 7.495 24.033 -1.502 1.00 -0.25 O HETATM 766 P11 C A 2 7.790 23.411 -0.072 1.00 0.26 P HETATM 767 O21 C A 2 8.747 22.306 -0.573 1.00 -0.62 O HETATM 768 O11 C A 2 8.179 24.262 1.213 1.00 -0.62 O HETATM 769 O5A C A 2 6.547 22.402 0.008 1.00 -0.25 O HETATM 770 C5A C A 2 6.408 21.442 -1.000 1.00 0.11 C HETATM 771 C4A C A 2 5.017 20.854 -0.942 1.00 0.12 C HETATM 772 O4A C A 2 4.769 20.358 0.343 1.00 -0.33 O HETATM 773 C1A C A 2 3.440 20.502 0.698 1.00 0.22 C HETATM 774 C2A C A 2 2.799 21.279 -0.369 1.00 0.15 C HETATM 775 C3A C A 2 3.928 21.842 -1.177 1.00 0.15 C HETATM 776 O3A C A 2 3.636 22.010 -2.493 1.00 -0.25 O HETATM 777 H16 C A 2 4.219 22.823 -0.773 1.00 0.07 H HETATM 778 O2A C A 2 1.927 20.489 -1.037 1.00 -0.38 O HETATM 779 H18 C A 2 1.526 20.986 -1.740 1.00 0.21 H HETATM 780 H17 C A 2 2.230 22.114 0.066 1.00 0.07 H HETATM 781 N91 C A 2 3.357 21.258 1.875 1.00 -0.10 N HETATM 782 C81 C A 2 4.473 22.038 2.555 1.00 0.19 C HETATM 783 N71 C A 2 4.051 22.657 3.609 1.00 -0.19 N HETATM 784 C51 C A 2 2.790 22.427 3.796 1.00 0.26 C HETATM 785 C61 C A 2 1.899 22.890 4.883 1.00 0.26 C HETATM 786 O61 C A 2 2.292 23.615 5.805 1.00 -0.36 O HETATM 787 N11 C A 2 0.572 22.502 4.856 1.00 -0.25 N HETATM 788 C21 C A 2 0.064 21.661 3.824 1.00 0.20 C HETATM 789 N21 C A 2 -1.328 21.273 3.830 1.00 -0.33 N HETATM 790 H22 C A 2 -1.696 20.665 3.085 1.00 0.18 H HETATM 791 H23 C A 2 -1.952 21.604 4.580 1.00 0.18 H HETATM 792 N31 C A 2 0.869 21.237 2.851 1.00 -0.19 N HETATM 793 C41 C A 2 2.311 21.651 2.859 1.00 0.33 C HETATM 794 H24 C A 2 0.505 20.631 2.101 1.00 0.25 H HETATM 795 H21 C A 2 -0.045 22.819 5.577 1.00 0.18 H HETATM 796 H20 C A 2 5.501 22.071 2.198 1.00 0.18 H HETATM 797 H19 C A 2 2.957 19.522 0.826 1.00 0.10 H HETATM 798 H15 C A 2 4.947 20.047 -1.686 1.00 0.07 H HETATM 799 H13 C A 2 7.151 20.644 -0.852 1.00 0.06 H HETATM 800 H14 C A 2 6.567 21.914 -1.981 1.00 0.06 H HETATM 801 H4 C A 2 5.828 25.031 -0.904 1.00 0.07 H HETATM 802 O2' C A 2 8.281 26.461 -1.860 1.00 -0.38 O HETATM 803 H6 C A 2 8.831 25.856 -1.376 1.00 0.21 H HETATM 804 H5 C A 2 7.512 26.557 -0.486 1.00 0.07 H HETATM 805 N9 C A 2 5.365 27.776 -0.998 1.00 -0.10 N HETATM 806 C8 C A 2 3.849 27.421 -1.009 1.00 0.19 C HETATM 807 N7 C A 2 3.209 27.991 -0.041 1.00 -0.19 N HETATM 808 C5 C A 2 4.003 28.717 0.687 1.00 0.26 C HETATM 809 C6 C A 2 3.692 29.542 1.890 1.00 0.26 C HETATM 810 O6 C A 2 2.576 29.628 2.351 1.00 -0.36 O HETATM 811 N1 C A 2 4.719 30.228 2.478 1.00 -0.25 N HETATM 812 C2 C A 2 6.008 30.141 1.940 1.00 0.20 C HETATM 813 N2 C A 2 7.020 30.801 2.507 1.00 -0.33 N HETATM 814 H10 C A 2 7.967 30.734 2.107 1.00 0.18 H HETATM 815 H11 C A 2 6.854 31.378 3.344 1.00 0.18 H HETATM 816 N3 C A 2 6.293 29.387 0.842 1.00 -0.19 N HETATM 817 C4 C A 2 5.255 28.666 0.201 1.00 0.33 C HETATM 818 H12 C A 2 7.256 29.341 0.480 1.00 0.25 H HETATM 819 H9 C A 2 4.550 30.789 3.288 1.00 0.18 H HETATM 820 H8 C A 2 3.382 26.769 -1.746 1.00 0.18 H HETATM 821 H7 C A 2 6.801 28.213 -2.420 1.00 0.10 H HETATM 822 H3 C A 2 6.894 25.260 -3.753 1.00 0.07 H HETATM 823 H1 C A 2 4.718 24.655 -4.555 1.00 0.06 H HETATM 824 H2 C A 2 5.414 23.347 -3.539 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 755 756 757 758 776 CONECT 756 755 CONECT 757 755 CONECT 758 755 759 CONECT 759 758 760 823 824 CONECT 760 759 761 764 822 CONECT 761 760 762 CONECT 762 761 763 805 821 CONECT 763 762 764 802 804 CONECT 764 760 763 765 801 CONECT 765 764 766 CONECT 766 765 767 768 769 CONECT 767 766 CONECT 768 766 CONECT 769 766 770 CONECT 770 769 771 799 800 CONECT 771 770 772 775 798 CONECT 772 771 773 CONECT 773 772 774 781 797 CONECT 774 773 775 778 780 CONECT 775 771 774 776 777 CONECT 776 755 775 CONECT 777 775 CONECT 778 774 779 CONECT 779 778 CONECT 780 774 CONECT 781 773 782 793 CONECT 782 781 783 796 CONECT 783 782 784 CONECT 784 783 785 793 CONECT 785 784 786 787 CONECT 786 785 CONECT 787 785 788 795 CONECT 788 787 789 792 CONECT 789 788 790 791 CONECT 790 789 CONECT 791 789 CONECT 792 788 793 794 CONECT 793 781 784 792 CONECT 794 792 CONECT 795 787 CONECT 796 782 CONECT 797 773 CONECT 798 771 CONECT 799 770 CONECT 800 770 CONECT 801 764 CONECT 802 763 803 CONECT 803 802 CONECT 804 763 CONECT 805 762 806 817 CONECT 806 805 807 820 CONECT 807 806 808 CONECT 808 807 809 817 CONECT 809 808 810 811 CONECT 810 809 CONECT 811 809 812 819 CONECT 812 811 813 816 CONECT 813 812 814 815 CONECT 814 813 CONECT 815 813 CONECT 816 812 817 818 CONECT 817 805 808 816 CONECT 818 816 CONECT 819 811 CONECT 820 806 CONECT 821 762 CONECT 822 760 CONECT 823 759 CONECT 824 759 MASTER 0 0 0 0 0 0 0 0 823 1 73 6 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
92aa, >4OAZ_1|Chains... *
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RCSB PDB
PDBbind
91aa, >5KHD_1|Chains... at 93%
5tzd
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5tzg
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91aa, >5TZG_1|Chains... at 92%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
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C2E
4euv
RCSB PDB
PDBbind
C2E
4f3h
RCSB PDB
PDBbind
C2E
4f5y
RCSB PDB
PDBbind
C2E
4f9g
RCSB PDB
PDBbind
C2E
4kby
RCSB PDB
PDBbind
C2E
4lj3
RCSB PDB
PDBbind
C2E
4oaz
RCSB PDB
PDBbind
C2E
4p00
RCSB PDB
PDBbind
C2E
4p02
RCSB PDB
PDBbind
C2E
4rt0
RCSB PDB
PDBbind
C2E
4rt1
RCSB PDB
PDBbind
C2E
5ejl
RCSB PDB
PDBbind
C2E
5exx
RCSB PDB
PDBbind
C2E
5htl
RCSB PDB
PDBbind
C2E
5khd
RCSB PDB
PDBbind
C2E
5tzd
RCSB PDB
PDBbind
C2E
5tzg
RCSB PDB
PDBbind
C2E
6pfj
RCSB PDB
PDBbind
C2E
6a04
RCSB PDB
PDBbind
C2E
5y6g
RCSB PDB
PDBbind
C2E
5y6f
RCSB PDB
PDBbind
C2E
5xbt
RCSB PDB
PDBbind
C2E
Entry Information
PDB ID
5tzf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DNA-binding protein
Ligand Name
C2E
EC.Number
E.C.-.-.-.-
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
Kd=1.6uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nucleic Acids Res. Vol. 45: pp. 6923-6933
Ligand Properties
Formula
C
2
0
H
2
8
N
1
0
O
1
4
P
2
Molecular Weight
694.442
Exact Mass
694.126
No. of atoms
74
No. of bonds
80
Polar Surface Area
385.62
LOGP Value
-4.36 (
Computed with XLOGP3
)
-3.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 7
Canonical SMILES
O[C@@H]1[C@@H]2OP(O)(O)OC[C@H]3O[C@H]([C@@H]([C@@H]3OP(OC[C@H]2O[C@H]1n1cnc2c1[nH]c(N)[nH+]c2=O)(O)O)O)n1cnc2c1[nH]c(N)[nH+]c2=O
InChI String
InChI=1S/C20H28N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32,35-38,45-46H,1-2H2,(H3,21,25,27,33)(H3,22,26,28,34)/p+2/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
F2RCL8
Entrez Gene ID
NCBI Entrez Gene ID:
61485974
ASD
Information of known allosteric effects of PDB entries
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