Browse entries in the PDBbind-CN Database
HEADER 1AZG_COMPLEX COMPND 1AZG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 58 VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU ALA ARG SEQRES 2 B 58 THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU LYS PHE SEQRES 3 B 58 GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP GLU ALA SEQRES 4 B 58 ARG SER LEU THR THR GLY GLU THR GLY TYR ILE PRO SER SEQRES 5 B 58 ASN TYR VAL ALA PRO VAL HET PRO A 59 207 ATOM 1 N VAL B 84 6.184 9.580 5.554 1.00 1.61 N ATOM 2 CA VAL B 84 6.867 8.882 6.680 1.00 1.12 C ATOM 3 C VAL B 84 8.312 9.373 6.783 1.00 1.03 C ATOM 4 O VAL B 84 9.088 9.250 5.855 1.00 1.23 O ATOM 5 CB VAL B 84 6.858 7.374 6.425 1.00 1.68 C ATOM 6 CG1 VAL B 84 7.772 7.050 5.242 1.00 2.43 C ATOM 7 CG2 VAL B 84 7.362 6.643 7.672 1.00 2.55 C ATOM 8 HA VAL B 84 6.343 9.096 7.612 1.00 0.00 H ATOM 9 HB VAL B 84 5.842 7.051 6.198 1.00 0.00 H ATOM 10 HG11 VAL B 84 7.413 7.571 4.354 1.00 0.00 H ATOM 11 HG12 VAL B 84 8.788 7.374 5.470 1.00 0.00 H ATOM 12 HG13 VAL B 84 7.764 5.975 5.062 1.00 0.00 H ATOM 13 HG21 VAL B 84 8.378 6.968 7.897 1.00 0.00 H ATOM 14 HG22 VAL B 84 6.711 6.874 8.515 1.00 0.00 H ATOM 15 HG23 VAL B 84 7.355 5.568 7.489 1.00 0.00 H ATOM 16 HN3 VAL B 84 6.685 9.375 4.666 1.00 0.00 H ATOM 17 HN2 VAL B 84 6.191 10.605 5.728 1.00 0.00 H ATOM 18 HN1 VAL B 84 5.202 9.245 5.485 1.00 0.00 H ATOM 19 N THR B 85 8.681 9.931 7.904 1.00 0.84 N ATOM 20 CA THR B 85 10.077 10.429 8.064 1.00 0.86 C ATOM 21 C THR B 85 10.466 10.393 9.543 1.00 0.65 C ATOM 22 O THR B 85 10.585 11.416 10.189 1.00 0.82 O ATOM 23 CB THR B 85 10.168 11.867 7.545 1.00 1.14 C ATOM 24 OG1 THR B 85 8.917 12.249 6.992 1.00 1.66 O ATOM 25 CG2 THR B 85 11.252 11.956 6.470 1.00 1.64 C ATOM 26 HA THR B 85 10.757 9.794 7.496 1.00 0.00 H ATOM 27 HB THR B 85 10.421 12.535 8.368 1.00 0.00 H ATOM 28 HG1 THR B 85 8.688 11.641 6.245 1.00 0.00 H ATOM 29 HG23 THR B 85 12.211 11.662 6.897 1.00 0.00 H ATOM 30 HG21 THR B 85 11.000 11.288 5.646 1.00 0.00 H ATOM 31 HG22 THR B 85 11.315 12.980 6.103 1.00 0.00 H ATOM 32 H THR B 85 8.001 10.028 8.685 1.00 0.00 H ATOM 33 N LEU B 86 10.668 9.223 10.084 1.00 0.47 N ATOM 34 CA LEU B 86 11.051 9.120 11.521 1.00 0.39 C ATOM 35 C LEU B 86 12.565 8.919 11.629 1.00 0.35 C ATOM 36 O LEU B 86 13.121 8.004 11.056 1.00 0.49 O ATOM 37 CB LEU B 86 10.331 7.928 12.156 1.00 0.53 C ATOM 38 CG LEU B 86 9.079 8.417 12.887 1.00 0.75 C ATOM 39 CD1 LEU B 86 9.487 9.345 14.032 1.00 1.43 C ATOM 40 CD2 LEU B 86 8.182 9.179 11.909 1.00 1.41 C ATOM 41 HA LEU B 86 10.767 10.035 12.041 1.00 0.00 H ATOM 42 HB2 LEU B 86 10.045 7.220 11.378 1.00 0.00 H ATOM 43 HB3 LEU B 86 10.997 7.437 12.865 1.00 0.00 H ATOM 44 HG LEU B 86 8.535 7.562 13.288 1.00 0.00 H ATOM 45 HD21 LEU B 86 8.727 10.034 11.509 1.00 0.00 H ATOM 46 HD22 LEU B 86 7.892 8.517 11.093 1.00 0.00 H ATOM 47 HD23 LEU B 86 7.291 9.527 12.431 1.00 0.00 H ATOM 48 HD11 LEU B 86 10.126 8.802 14.728 1.00 0.00 H ATOM 49 HD12 LEU B 86 10.030 10.200 13.629 1.00 0.00 H ATOM 50 HD13 LEU B 86 8.594 9.693 14.552 1.00 0.00 H ATOM 51 H LEU B 86 10.562 8.361 9.512 1.00 0.00 H ATOM 52 N PHE B 87 13.237 9.769 12.357 1.00 0.28 N ATOM 53 CA PHE B 87 14.714 9.625 12.497 1.00 0.28 C ATOM 54 C PHE B 87 15.071 9.390 13.966 1.00 0.30 C ATOM 55 O PHE B 87 14.486 9.971 14.858 1.00 0.57 O ATOM 56 CB PHE B 87 15.401 10.900 12.005 1.00 0.32 C ATOM 57 CG PHE B 87 15.045 11.134 10.557 1.00 0.35 C ATOM 58 CD1 PHE B 87 13.746 11.522 10.211 1.00 1.21 C ATOM 59 CD2 PHE B 87 16.014 10.962 9.561 1.00 1.25 C ATOM 60 CE1 PHE B 87 13.414 11.738 8.868 1.00 1.22 C ATOM 61 CE2 PHE B 87 15.682 11.178 8.218 1.00 1.29 C ATOM 62 CZ PHE B 87 14.382 11.566 7.872 1.00 0.50 C ATOM 63 HA PHE B 87 15.051 8.776 11.902 1.00 0.00 H ATOM 64 HB2 PHE B 87 15.067 11.748 12.604 1.00 0.00 H ATOM 65 HB3 PHE B 87 16.481 10.792 12.101 1.00 0.00 H ATOM 66 HD2 PHE B 87 17.026 10.660 9.831 1.00 0.00 H ATOM 67 HE2 PHE B 87 16.436 11.044 7.442 1.00 0.00 H ATOM 68 HZ PHE B 87 14.124 11.734 6.826 1.00 0.00 H ATOM 69 HE1 PHE B 87 12.402 12.040 8.598 1.00 0.00 H ATOM 70 HD1 PHE B 87 12.992 11.656 10.987 1.00 0.00 H ATOM 71 H PHE B 87 12.742 10.546 12.839 1.00 0.00 H ATOM 72 N VAL B 88 16.028 8.541 14.223 1.00 0.25 N ATOM 73 CA VAL B 88 16.423 8.269 15.632 1.00 0.25 C ATOM 74 C VAL B 88 17.773 8.928 15.919 1.00 0.24 C ATOM 75 O VAL B 88 18.576 9.133 15.030 1.00 0.26 O ATOM 76 CB VAL B 88 16.539 6.759 15.847 1.00 0.26 C ATOM 77 CG1 VAL B 88 16.230 6.426 17.307 1.00 0.33 C ATOM 78 CG2 VAL B 88 15.540 6.038 14.938 1.00 0.35 C ATOM 79 HA VAL B 88 15.668 8.676 16.305 1.00 0.00 H ATOM 80 HB VAL B 88 17.551 6.434 15.607 1.00 0.00 H ATOM 81 HG11 VAL B 88 16.940 6.941 17.954 1.00 0.00 H ATOM 82 HG12 VAL B 88 15.217 6.751 17.546 1.00 0.00 H ATOM 83 HG13 VAL B 88 16.313 5.350 17.458 1.00 0.00 H ATOM 84 HG21 VAL B 88 14.529 6.364 15.181 1.00 0.00 H ATOM 85 HG22 VAL B 88 15.760 6.276 13.897 1.00 0.00 H ATOM 86 HG23 VAL B 88 15.622 4.962 15.091 1.00 0.00 H ATOM 87 H VAL B 88 16.515 8.054 13.443 1.00 0.00 H ATOM 88 N ALA B 89 18.031 9.261 17.154 1.00 0.25 N ATOM 89 CA ALA B 89 19.330 9.906 17.495 1.00 0.25 C ATOM 90 C ALA B 89 20.417 8.835 17.602 1.00 0.25 C ATOM 91 O ALA B 89 20.367 7.969 18.453 1.00 0.28 O ATOM 92 CB ALA B 89 19.200 10.640 18.831 1.00 0.26 C ATOM 93 HA ALA B 89 19.599 10.619 16.715 1.00 0.00 H ATOM 94 HB1 ALA B 89 18.425 11.402 18.751 1.00 0.00 H ATOM 95 HB2 ALA B 89 18.932 9.927 19.611 1.00 0.00 H ATOM 96 HB3 ALA B 89 20.151 11.111 19.079 1.00 0.00 H ATOM 97 H ALA B 89 17.330 9.076 17.900 1.00 0.00 H ATOM 98 N LEU B 90 21.399 8.885 16.745 1.00 0.24 N ATOM 99 CA LEU B 90 22.488 7.869 16.797 1.00 0.26 C ATOM 100 C LEU B 90 23.401 8.162 17.990 1.00 0.26 C ATOM 101 O LEU B 90 24.252 7.369 18.342 1.00 0.31 O ATOM 102 CB LEU B 90 23.302 7.929 15.504 1.00 0.32 C ATOM 103 CG LEU B 90 22.372 7.737 14.306 1.00 0.32 C ATOM 104 CD1 LEU B 90 22.961 8.445 13.084 1.00 0.44 C ATOM 105 CD2 LEU B 90 22.228 6.243 14.008 1.00 0.43 C ATOM 106 HA LEU B 90 22.054 6.875 16.907 1.00 0.00 H ATOM 107 HB2 LEU B 90 23.795 8.898 15.430 1.00 0.00 H ATOM 108 HB3 LEU B 90 24.054 7.140 15.511 1.00 0.00 H ATOM 109 HG LEU B 90 21.393 8.159 14.534 1.00 0.00 H ATOM 110 HD21 LEU B 90 23.208 5.823 13.780 1.00 0.00 H ATOM 111 HD22 LEU B 90 21.809 5.739 14.879 1.00 0.00 H ATOM 112 HD23 LEU B 90 21.565 6.106 13.154 1.00 0.00 H ATOM 113 HD11 LEU B 90 23.065 9.509 13.297 1.00 0.00 H ATOM 114 HD12 LEU B 90 23.939 8.021 12.857 1.00 0.00 H ATOM 115 HD13 LEU B 90 22.297 8.307 12.231 1.00 0.00 H ATOM 116 H LEU B 90 21.422 9.635 16.025 1.00 0.00 H ATOM 117 N TYR B 91 23.231 9.295 18.615 1.00 0.26 N ATOM 118 CA TYR B 91 24.088 9.638 19.784 1.00 0.33 C ATOM 119 C TYR B 91 23.298 10.517 20.756 1.00 0.31 C ATOM 120 O TYR B 91 22.189 10.928 20.475 1.00 0.49 O ATOM 121 CB TYR B 91 25.328 10.398 19.307 1.00 0.41 C ATOM 122 CG TYR B 91 26.058 9.577 18.271 1.00 0.61 C ATOM 123 CD1 TYR B 91 26.961 8.584 18.672 1.00 1.35 C ATOM 124 CD2 TYR B 91 25.834 9.809 16.909 1.00 1.32 C ATOM 125 CE1 TYR B 91 27.639 7.824 17.711 1.00 1.63 C ATOM 126 CE2 TYR B 91 26.511 9.049 15.948 1.00 1.74 C ATOM 127 CZ TYR B 91 27.414 8.056 16.349 1.00 1.58 C ATOM 128 OH TYR B 91 28.082 7.307 15.401 1.00 2.10 O ATOM 129 HA TYR B 91 24.395 8.721 20.287 1.00 0.00 H ATOM 130 HB3 TYR B 91 25.988 10.584 20.154 1.00 0.00 H ATOM 131 HB2 TYR B 91 25.025 11.349 18.869 1.00 0.00 H ATOM 132 HD2 TYR B 91 25.132 10.582 16.596 1.00 0.00 H ATOM 133 HE2 TYR B 91 26.336 9.230 14.888 1.00 0.00 H ATOM 134 HE1 TYR B 91 28.342 7.052 18.023 1.00 0.00 H ATOM 135 HD1 TYR B 91 27.136 8.403 19.733 1.00 0.00 H ATOM 136 HH TYR B 91 28.675 6.657 15.854 1.00 0.00 H ATOM 137 H TYR B 91 22.497 9.959 18.297 1.00 0.00 H ATOM 138 N ASP B 92 23.860 10.809 21.896 1.00 0.36 N ATOM 139 CA ASP B 92 23.141 11.661 22.885 1.00 0.35 C ATOM 140 C ASP B 92 23.524 13.127 22.668 1.00 0.35 C ATOM 141 O ASP B 92 24.422 13.440 21.912 1.00 0.49 O ATOM 142 CB ASP B 92 23.531 11.236 24.302 1.00 0.41 C ATOM 143 CG ASP B 92 25.054 11.148 24.409 1.00 1.10 C ATOM 144 OD1 ASP B 92 25.721 11.679 23.536 1.00 1.85 O ATOM 145 OD2 ASP B 92 25.528 10.552 25.362 1.00 1.88 O ATOM 146 HA ASP B 92 22.065 11.543 22.753 1.00 0.00 H ATOM 147 HB2 ASP B 92 23.158 11.970 25.017 1.00 0.00 H ATOM 148 HB3 ASP B 92 23.094 10.262 24.522 1.00 0.00 H ATOM 149 H ASP B 92 24.810 10.447 22.115 1.00 0.00 H ATOM 150 N TYR B 93 22.848 14.030 23.326 1.00 0.35 N ATOM 151 CA TYR B 93 23.173 15.474 23.158 1.00 0.35 C ATOM 152 C TYR B 93 22.514 16.276 24.283 1.00 0.34 C ATOM 153 O TYR B 93 21.364 16.069 24.615 1.00 0.42 O ATOM 154 CB TYR B 93 22.646 15.962 21.807 1.00 0.37 C ATOM 155 CG TYR B 93 22.865 17.451 21.686 1.00 0.36 C ATOM 156 CD1 TYR B 93 24.120 17.946 21.312 1.00 1.33 C ATOM 157 CD2 TYR B 93 21.813 18.337 21.948 1.00 1.12 C ATOM 158 CE1 TYR B 93 24.323 19.327 21.199 1.00 1.37 C ATOM 159 CE2 TYR B 93 22.016 19.717 21.835 1.00 1.13 C ATOM 160 CZ TYR B 93 23.271 20.212 21.461 1.00 0.53 C ATOM 161 OH TYR B 93 23.470 21.573 21.350 1.00 0.65 O ATOM 162 HA TYR B 93 24.254 15.612 23.196 1.00 0.00 H ATOM 163 HB3 TYR B 93 21.580 15.744 21.733 1.00 0.00 H ATOM 164 HB2 TYR B 93 23.177 15.450 21.004 1.00 0.00 H ATOM 165 HD2 TYR B 93 20.836 17.952 22.240 1.00 0.00 H ATOM 166 HE2 TYR B 93 21.197 20.407 22.038 1.00 0.00 H ATOM 167 HE1 TYR B 93 25.300 19.712 20.907 1.00 0.00 H ATOM 168 HD1 TYR B 93 24.939 17.256 21.109 1.00 0.00 H ATOM 169 HH TYR B 93 24.406 21.747 21.079 1.00 0.00 H ATOM 170 H TYR B 93 22.082 13.741 23.968 1.00 0.00 H ATOM 171 N GLU B 94 23.235 17.190 24.875 1.00 0.41 N ATOM 172 CA GLU B 94 22.648 18.002 25.980 1.00 0.44 C ATOM 173 C GLU B 94 22.335 19.408 25.466 1.00 0.47 C ATOM 174 O GLU B 94 23.222 20.202 25.223 1.00 0.57 O ATOM 175 CB GLU B 94 23.645 18.097 27.139 1.00 0.50 C ATOM 176 CG GLU B 94 24.695 16.991 27.012 1.00 1.37 C ATOM 177 CD GLU B 94 25.290 16.691 28.389 1.00 1.93 C ATOM 178 OE1 GLU B 94 24.544 16.717 29.353 1.00 2.61 O ATOM 179 OE2 GLU B 94 26.483 16.441 28.455 1.00 2.33 O ATOM 180 HA GLU B 94 21.732 17.525 26.329 1.00 0.00 H ATOM 181 HB2 GLU B 94 24.138 19.069 27.114 1.00 0.00 H ATOM 182 HB3 GLU B 94 23.113 17.985 28.084 1.00 0.00 H ATOM 183 HG2 GLU B 94 24.228 16.090 26.614 1.00 0.00 H ATOM 184 HG3 GLU B 94 25.487 17.317 26.337 1.00 0.00 H ATOM 185 H GLU B 94 24.218 17.352 24.576 1.00 0.00 H ATOM 186 N ALA B 95 21.080 19.724 25.301 1.00 0.52 N ATOM 187 CA ALA B 95 20.713 21.079 24.804 1.00 0.58 C ATOM 188 C ALA B 95 21.316 22.141 25.727 1.00 0.57 C ATOM 189 O ALA B 95 20.853 22.352 26.829 1.00 0.67 O ATOM 190 CB ALA B 95 19.190 21.222 24.789 1.00 0.72 C ATOM 191 HA ALA B 95 21.100 21.213 23.794 1.00 0.00 H ATOM 192 HB1 ALA B 95 18.762 20.465 24.132 1.00 0.00 H ATOM 193 HB2 ALA B 95 18.804 21.088 25.799 1.00 0.00 H ATOM 194 HB3 ALA B 95 18.923 22.214 24.425 1.00 0.00 H ATOM 195 H ALA B 95 20.336 19.030 25.516 1.00 0.00 H ATOM 196 N ARG B 96 22.345 22.811 25.285 1.00 0.65 N ATOM 197 CA ARG B 96 22.974 23.858 26.138 1.00 0.79 C ATOM 198 C ARG B 96 22.252 25.190 25.924 1.00 0.77 C ATOM 199 O ARG B 96 22.701 26.230 26.364 1.00 0.93 O ATOM 200 CB ARG B 96 24.449 24.006 25.758 1.00 0.99 C ATOM 201 CG ARG B 96 24.559 24.642 24.370 1.00 1.66 C ATOM 202 CD ARG B 96 25.667 23.954 23.568 1.00 2.18 C ATOM 203 NE ARG B 96 26.649 23.327 24.499 1.00 2.86 N ATOM 204 CZ ARG B 96 27.275 24.060 25.379 1.00 3.67 C ATOM 205 NH1 ARG B 96 27.222 25.362 25.302 1.00 4.16 N ATOM 206 NH2 ARG B 96 27.954 23.489 26.337 1.00 4.34 N ATOM 207 HA ARG B 96 22.898 23.569 27.186 1.00 0.00 H ATOM 208 HB2 ARG B 96 24.951 24.640 26.489 1.00 0.00 H ATOM 209 HB3 ARG B 96 24.921 23.024 25.746 1.00 0.00 H ATOM 210 HG2 ARG B 96 23.610 24.531 23.845 1.00 0.00 H ATOM 211 HG3 ARG B 96 24.793 25.701 24.475 1.00 0.00 H ATOM 212 HD2 ARG B 96 26.176 24.691 22.947 1.00 0.00 H ATOM 213 HD3 ARG B 96 25.229 23.185 22.931 1.00 0.00 H ATOM 214 HE ARG B 96 26.835 22.305 24.447 1.00 0.00 H ATOM 215 HH12 ARG B 96 27.721 25.945 26.004 1.00 0.00 H ATOM 216 HH11 ARG B 96 26.681 25.816 24.539 1.00 0.00 H ATOM 217 HH22 ARG B 96 28.453 24.072 27.039 1.00 0.00 H ATOM 218 HH21 ARG B 96 27.995 22.452 26.398 1.00 0.00 H ATOM 219 H ARG B 96 22.726 22.614 24.337 1.00 0.00 H ATOM 220 N THR B 97 21.133 25.165 25.252 1.00 0.65 N ATOM 221 CA THR B 97 20.377 26.427 25.010 1.00 0.67 C ATOM 222 C THR B 97 18.878 26.122 24.994 1.00 0.62 C ATOM 223 O THR B 97 18.469 24.978 24.971 1.00 0.64 O ATOM 224 CB THR B 97 20.789 27.020 23.660 1.00 0.70 C ATOM 225 OG1 THR B 97 20.153 26.299 22.614 1.00 1.41 O ATOM 226 CG2 THR B 97 22.307 26.924 23.500 1.00 1.36 C ATOM 227 HA THR B 97 20.598 27.142 25.802 1.00 0.00 H ATOM 228 HB THR B 97 20.488 28.067 23.615 1.00 0.00 H ATOM 229 HG1 THR B 97 20.427 25.349 22.656 1.00 0.00 H ATOM 230 HG23 THR B 97 22.792 27.478 24.304 1.00 0.00 H ATOM 231 HG21 THR B 97 22.610 25.878 23.544 1.00 0.00 H ATOM 232 HG22 THR B 97 22.597 27.348 22.539 1.00 0.00 H ATOM 233 H THR B 97 20.768 24.263 24.885 1.00 0.00 H ATOM 234 N GLU B 98 18.054 27.134 25.005 1.00 0.65 N ATOM 235 CA GLU B 98 16.583 26.896 24.988 1.00 0.71 C ATOM 236 C GLU B 98 16.132 26.600 23.555 1.00 0.64 C ATOM 237 O GLU B 98 14.963 26.398 23.292 1.00 0.82 O ATOM 238 CB GLU B 98 15.857 28.140 25.509 1.00 0.86 C ATOM 239 CG GLU B 98 15.809 29.207 24.413 1.00 1.61 C ATOM 240 CD GLU B 98 15.085 30.448 24.937 1.00 2.22 C ATOM 241 OE1 GLU B 98 14.833 30.503 26.129 1.00 2.75 O ATOM 242 OE2 GLU B 98 14.793 31.322 24.137 1.00 2.79 O ATOM 243 HA GLU B 98 16.344 26.045 25.626 1.00 0.00 H ATOM 244 HB2 GLU B 98 14.841 27.872 25.799 1.00 0.00 H ATOM 245 HB3 GLU B 98 16.389 28.534 26.375 1.00 0.00 H ATOM 246 HG2 GLU B 98 16.825 29.475 24.122 1.00 0.00 H ATOM 247 HG3 GLU B 98 15.276 28.814 23.547 1.00 0.00 H ATOM 248 H GLU B 98 18.424 28.106 25.026 1.00 0.00 H ATOM 249 N ASP B 99 17.050 26.574 22.628 1.00 0.55 N ATOM 250 CA ASP B 99 16.675 26.293 21.213 1.00 0.58 C ATOM 251 C ASP B 99 16.921 24.815 20.903 1.00 0.60 C ATOM 252 O ASP B 99 16.033 24.103 20.477 1.00 1.14 O ATOM 253 CB ASP B 99 17.526 27.158 20.281 1.00 0.66 C ATOM 254 CG ASP B 99 16.862 28.525 20.102 1.00 1.14 C ATOM 255 OD1 ASP B 99 15.704 28.554 19.720 1.00 1.92 O ATOM 256 OD2 ASP B 99 17.524 29.519 20.352 1.00 1.59 O ATOM 257 HA ASP B 99 15.620 26.524 21.063 1.00 0.00 H ATOM 258 HB2 ASP B 99 18.518 27.290 20.713 1.00 0.00 H ATOM 259 HB3 ASP B 99 17.615 26.668 19.312 1.00 0.00 H ATOM 260 H ASP B 99 18.044 26.750 22.877 1.00 0.00 H ATOM 261 N ASP B 100 18.122 24.346 21.111 1.00 0.36 N ATOM 262 CA ASP B 100 18.424 22.915 20.826 1.00 0.33 C ATOM 263 C ASP B 100 17.609 22.022 21.765 1.00 0.29 C ATOM 264 O ASP B 100 16.806 22.495 22.545 1.00 0.38 O ATOM 265 CB ASP B 100 19.916 22.655 21.045 1.00 0.42 C ATOM 266 CG ASP B 100 20.736 23.705 20.293 1.00 0.86 C ATOM 267 OD1 ASP B 100 21.025 23.480 19.129 1.00 1.34 O ATOM 268 OD2 ASP B 100 21.062 24.716 20.893 1.00 1.70 O ATOM 269 HA ASP B 100 18.162 22.689 19.792 1.00 0.00 H ATOM 270 HB2 ASP B 100 20.142 22.712 22.110 1.00 0.00 H ATOM 271 HB3 ASP B 100 20.170 21.662 20.674 1.00 0.00 H ATOM 272 H ASP B 100 18.868 24.972 21.476 1.00 0.00 H ATOM 273 N LEU B 101 17.808 20.733 21.695 1.00 0.27 N ATOM 274 CA LEU B 101 17.043 19.811 22.582 1.00 0.25 C ATOM 275 C LEU B 101 18.013 18.879 23.313 1.00 0.27 C ATOM 276 O LEU B 101 19.213 18.949 23.133 1.00 0.36 O ATOM 277 CB LEU B 101 16.078 18.975 21.739 1.00 0.26 C ATOM 278 CG LEU B 101 15.221 19.902 20.876 1.00 0.28 C ATOM 279 CD1 LEU B 101 15.069 19.301 19.478 1.00 0.32 C ATOM 280 CD2 LEU B 101 13.840 20.057 21.516 1.00 0.43 C ATOM 281 HA LEU B 101 16.481 20.396 23.310 1.00 0.00 H ATOM 282 HB2 LEU B 101 16.646 18.302 21.097 1.00 0.00 H ATOM 283 HB3 LEU B 101 15.434 18.391 22.396 1.00 0.00 H ATOM 284 HG LEU B 101 15.701 20.878 20.802 1.00 0.00 H ATOM 285 HD21 LEU B 101 13.362 19.080 21.588 1.00 0.00 H ATOM 286 HD22 LEU B 101 13.949 20.484 22.513 1.00 0.00 H ATOM 287 HD23 LEU B 101 13.228 20.718 20.902 1.00 0.00 H ATOM 288 HD11 LEU B 101 16.053 19.188 19.024 1.00 0.00 H ATOM 289 HD12 LEU B 101 14.588 18.326 19.553 1.00 0.00 H ATOM 290 HD13 LEU B 101 14.458 19.963 18.864 1.00 0.00 H ATOM 291 H LEU B 101 18.500 20.350 21.020 1.00 0.00 H ATOM 292 N SER B 102 17.502 18.005 24.137 1.00 0.29 N ATOM 293 CA SER B 102 18.391 17.067 24.878 1.00 0.34 C ATOM 294 C SER B 102 17.826 15.649 24.775 1.00 0.33 C ATOM 295 O SER B 102 16.630 15.443 24.834 1.00 0.41 O ATOM 296 CB SER B 102 18.460 17.485 26.347 1.00 0.41 C ATOM 297 OG SER B 102 17.221 17.188 26.979 1.00 1.46 O ATOM 298 HA SER B 102 19.392 17.093 24.447 1.00 0.00 H ATOM 299 HB2 SER B 102 18.655 18.555 26.413 1.00 0.00 H ATOM 300 HB3 SER B 102 19.262 16.940 26.844 1.00 0.00 H ATOM 301 HG SER B 102 17.046 16.216 26.918 1.00 0.00 H ATOM 302 H SER B 102 16.472 17.963 24.276 1.00 0.00 H ATOM 303 N PHE B 103 18.674 14.669 24.619 1.00 0.30 N ATOM 304 CA PHE B 103 18.174 13.270 24.509 1.00 0.31 C ATOM 305 C PHE B 103 19.355 12.299 24.469 1.00 0.32 C ATOM 306 O PHE B 103 20.493 12.680 24.659 1.00 0.34 O ATOM 307 CB PHE B 103 17.356 13.125 23.225 1.00 0.28 C ATOM 308 CG PHE B 103 18.162 13.637 22.055 1.00 0.23 C ATOM 309 CD1 PHE B 103 18.103 14.991 21.703 1.00 0.90 C ATOM 310 CD2 PHE B 103 18.968 12.758 21.321 1.00 0.94 C ATOM 311 CE1 PHE B 103 18.850 15.466 20.618 1.00 0.90 C ATOM 312 CE2 PHE B 103 19.715 13.233 20.236 1.00 0.94 C ATOM 313 CZ PHE B 103 19.656 14.587 19.884 1.00 0.23 C ATOM 314 HA PHE B 103 17.549 13.042 25.373 1.00 0.00 H ATOM 315 HB2 PHE B 103 17.111 12.075 23.066 1.00 0.00 H ATOM 316 HB3 PHE B 103 16.435 13.702 23.313 1.00 0.00 H ATOM 317 HD2 PHE B 103 19.014 11.704 21.594 1.00 0.00 H ATOM 318 HE2 PHE B 103 20.343 12.549 19.665 1.00 0.00 H ATOM 319 HZ PHE B 103 20.237 14.957 19.039 1.00 0.00 H ATOM 320 HE1 PHE B 103 18.804 16.520 20.345 1.00 0.00 H ATOM 321 HD1 PHE B 103 17.475 15.675 22.274 1.00 0.00 H ATOM 322 H PHE B 103 19.694 14.864 24.572 1.00 0.00 H ATOM 323 N HIS B 104 19.091 11.046 24.220 1.00 0.35 N ATOM 324 CA HIS B 104 20.193 10.045 24.163 1.00 0.38 C ATOM 325 C HIS B 104 19.954 9.098 22.987 1.00 0.35 C ATOM 326 O HIS B 104 18.858 8.999 22.471 1.00 0.38 O ATOM 327 CB HIS B 104 20.221 9.244 25.465 1.00 0.45 C ATOM 328 CG HIS B 104 20.551 10.159 26.611 1.00 1.10 C ATOM 329 ND1 HIS B 104 21.805 10.180 27.203 1.00 1.90 N ATOM 330 CD2 HIS B 104 19.802 11.090 27.287 1.00 2.04 C ATOM 331 CE1 HIS B 104 21.773 11.096 28.188 1.00 2.55 C ATOM 332 NE2 HIS B 104 20.575 11.681 28.283 1.00 2.66 N ATOM 333 HA HIS B 104 21.146 10.557 24.032 1.00 0.00 H ATOM 334 HB2 HIS B 104 19.245 8.789 25.633 1.00 0.00 H ATOM 335 HB3 HIS B 104 20.977 8.462 25.395 1.00 0.00 H ATOM 336 HD2 HIS B 104 18.760 11.330 27.076 1.00 0.00 H ATOM 337 HE1 HIS B 104 22.621 11.332 28.831 1.00 0.00 H ATOM 338 H HIS B 104 18.108 10.745 24.061 1.00 0.00 H ATOM 339 N LYS B 105 20.968 8.399 22.556 1.00 0.36 N ATOM 340 CA LYS B 105 20.791 7.462 21.412 1.00 0.35 C ATOM 341 C LYS B 105 19.568 6.576 21.664 1.00 0.31 C ATOM 342 O LYS B 105 19.345 6.106 22.762 1.00 0.38 O ATOM 343 CB LYS B 105 22.040 6.588 21.267 1.00 0.41 C ATOM 344 CG LYS B 105 22.065 5.530 22.373 1.00 1.26 C ATOM 345 CD LYS B 105 23.154 4.499 22.070 1.00 1.68 C ATOM 346 CE LYS B 105 24.466 5.218 21.754 1.00 2.46 C ATOM 347 NZ LYS B 105 24.796 6.160 22.861 1.00 3.16 N ATOM 348 HA LYS B 105 20.642 8.032 20.495 1.00 0.00 H ATOM 349 HB2 LYS B 105 22.026 6.095 20.295 1.00 0.00 H ATOM 350 HB3 LYS B 105 22.930 7.213 21.344 1.00 0.00 H ATOM 351 HG2 LYS B 105 22.274 6.009 23.329 1.00 0.00 H ATOM 352 HG3 LYS B 105 21.097 5.032 22.422 1.00 0.00 H ATOM 353 HD2 LYS B 105 23.294 3.853 22.937 1.00 0.00 H ATOM 354 HD3 LYS B 105 22.855 3.896 21.213 1.00 0.00 H ATOM 355 HE2 LYS B 105 24.361 5.774 20.823 1.00 0.00 H ATOM 356 HE3 LYS B 105 25.266 4.485 21.650 1.00 0.00 H ATOM 357 HZ1 LYS B 105 24.032 6.859 22.959 1.00 0.00 H ATOM 358 HZ2 LYS B 105 24.897 5.628 23.749 1.00 0.00 H ATOM 359 HZ3 LYS B 105 25.688 6.648 22.645 1.00 0.00 H ATOM 360 H LYS B 105 21.898 8.496 23.011 1.00 0.00 H ATOM 361 N GLY B 106 18.773 6.346 20.655 1.00 0.29 N ATOM 362 CA GLY B 106 17.566 5.490 20.837 1.00 0.30 C ATOM 363 C GLY B 106 16.324 6.374 20.976 1.00 0.29 C ATOM 364 O GLY B 106 15.212 5.891 21.042 1.00 0.33 O ATOM 365 HA3 GLY B 106 17.683 4.884 21.736 1.00 0.00 H ATOM 366 HA2 GLY B 106 17.451 4.836 19.972 1.00 0.00 H ATOM 367 H GLY B 106 18.981 6.760 19.724 1.00 0.00 H ATOM 368 N GLU B 107 16.504 7.666 21.022 1.00 0.29 N ATOM 369 CA GLU B 107 15.332 8.577 21.158 1.00 0.31 C ATOM 370 C GLU B 107 14.748 8.868 19.773 1.00 0.29 C ATOM 371 O GLU B 107 15.454 9.233 18.855 1.00 0.38 O ATOM 372 CB GLU B 107 15.776 9.887 21.812 1.00 0.36 C ATOM 373 CG GLU B 107 14.558 10.785 22.041 1.00 0.81 C ATOM 374 CD GLU B 107 14.139 10.714 23.510 1.00 1.27 C ATOM 375 OE1 GLU B 107 14.534 9.770 24.174 1.00 2.04 O ATOM 376 OE2 GLU B 107 13.430 11.605 23.947 1.00 1.93 O ATOM 377 HA GLU B 107 14.573 8.102 21.779 1.00 0.00 H ATOM 378 HB2 GLU B 107 16.253 9.672 22.768 1.00 0.00 H ATOM 379 HB3 GLU B 107 16.485 10.396 21.160 1.00 0.00 H ATOM 380 HG2 GLU B 107 14.812 11.814 21.785 1.00 0.00 H ATOM 381 HG3 GLU B 107 13.734 10.448 21.412 1.00 0.00 H ATOM 382 H GLU B 107 17.465 8.060 20.964 1.00 0.00 H ATOM 383 N LYS B 108 13.462 8.710 19.617 1.00 0.31 N ATOM 384 CA LYS B 108 12.832 8.977 18.293 1.00 0.31 C ATOM 385 C LYS B 108 12.711 10.487 18.081 1.00 0.28 C ATOM 386 O LYS B 108 12.654 11.253 19.022 1.00 0.38 O ATOM 387 CB LYS B 108 11.440 8.342 18.252 1.00 0.37 C ATOM 388 CG LYS B 108 11.513 6.917 18.807 1.00 0.70 C ATOM 389 CD LYS B 108 12.488 6.092 17.966 1.00 0.83 C ATOM 390 CE LYS B 108 12.126 4.609 18.069 1.00 1.34 C ATOM 391 NZ LYS B 108 11.680 4.301 19.458 1.00 2.23 N ATOM 392 HA LYS B 108 13.450 8.548 17.504 1.00 0.00 H ATOM 393 HB2 LYS B 108 10.753 8.933 18.857 1.00 0.00 H ATOM 394 HB3 LYS B 108 11.083 8.313 17.222 1.00 0.00 H ATOM 395 HG2 LYS B 108 11.859 6.946 19.840 1.00 0.00 H ATOM 396 HG3 LYS B 108 10.524 6.461 18.769 1.00 0.00 H ATOM 397 HD2 LYS B 108 12.428 6.409 16.925 1.00 0.00 H ATOM 398 HD3 LYS B 108 13.503 6.244 18.333 1.00 0.00 H ATOM 399 HE2 LYS B 108 12.999 4.004 17.825 1.00 0.00 H ATOM 400 HE3 LYS B 108 11.321 4.382 17.370 1.00 0.00 H ATOM 401 HZ1 LYS B 108 12.449 4.518 20.124 1.00 0.00 H ATOM 402 HZ2 LYS B 108 10.847 4.879 19.689 1.00 0.00 H ATOM 403 HZ3 LYS B 108 11.434 3.293 19.526 1.00 0.00 H ATOM 404 H LYS B 108 12.876 8.397 20.417 1.00 0.00 H ATOM 405 N PHE B 109 12.671 10.922 16.851 1.00 0.24 N ATOM 406 CA PHE B 109 12.553 12.382 16.582 1.00 0.22 C ATOM 407 C PHE B 109 11.771 12.600 15.285 1.00 0.24 C ATOM 408 O PHE B 109 11.888 11.841 14.343 1.00 0.34 O ATOM 409 CB PHE B 109 13.951 12.990 16.441 1.00 0.24 C ATOM 410 CG PHE B 109 14.518 13.273 17.812 1.00 0.20 C ATOM 411 CD1 PHE B 109 13.849 14.143 18.682 1.00 1.12 C ATOM 412 CD2 PHE B 109 15.716 12.667 18.212 1.00 1.14 C ATOM 413 CE1 PHE B 109 14.377 14.406 19.951 1.00 1.12 C ATOM 414 CE2 PHE B 109 16.243 12.931 19.482 1.00 1.14 C ATOM 415 CZ PHE B 109 15.574 13.800 20.351 1.00 0.22 C ATOM 416 HA PHE B 109 12.029 12.862 17.409 1.00 0.00 H ATOM 417 HB2 PHE B 109 14.601 12.290 15.916 1.00 0.00 H ATOM 418 HB3 PHE B 109 13.888 13.919 15.875 1.00 0.00 H ATOM 419 HD2 PHE B 109 16.238 11.990 17.535 1.00 0.00 H ATOM 420 HE2 PHE B 109 17.175 12.459 19.794 1.00 0.00 H ATOM 421 HZ PHE B 109 15.985 14.005 21.340 1.00 0.00 H ATOM 422 HE1 PHE B 109 13.856 15.083 20.628 1.00 0.00 H ATOM 423 HD1 PHE B 109 12.917 14.615 18.371 1.00 0.00 H ATOM 424 H PHE B 109 12.721 10.249 16.059 1.00 0.00 H ATOM 425 N GLN B 110 10.973 13.631 15.229 1.00 0.24 N ATOM 426 CA GLN B 110 10.184 13.897 13.993 1.00 0.28 C ATOM 427 C GLN B 110 10.793 15.086 13.246 1.00 0.25 C ATOM 428 O GLN B 110 10.527 16.230 13.558 1.00 0.27 O ATOM 429 CB GLN B 110 8.737 14.218 14.373 1.00 0.33 C ATOM 430 CG GLN B 110 8.019 12.932 14.784 1.00 0.78 C ATOM 431 CD GLN B 110 6.836 12.685 13.847 1.00 1.04 C ATOM 432 OE1 GLN B 110 5.791 13.287 13.997 1.00 1.68 O ATOM 433 NE2 GLN B 110 6.957 11.819 12.878 1.00 1.56 N ATOM 434 HA GLN B 110 10.204 13.017 13.351 1.00 0.00 H ATOM 435 HB2 GLN B 110 8.727 14.921 15.206 1.00 0.00 H ATOM 436 HB3 GLN B 110 8.227 14.662 13.518 1.00 0.00 H ATOM 437 HG2 GLN B 110 8.712 12.093 14.723 1.00 0.00 H ATOM 438 HG3 GLN B 110 7.658 13.029 15.808 1.00 0.00 H ATOM 439 HE22 GLN B 110 7.851 11.304 12.750 1.00 0.00 H ATOM 440 HE21 GLN B 110 6.159 11.644 12.234 1.00 0.00 H ATOM 441 H GLN B 110 10.888 14.267 16.047 1.00 0.00 H ATOM 442 N ILE B 111 11.609 14.826 12.261 1.00 0.30 N ATOM 443 CA ILE B 111 12.234 15.942 11.497 1.00 0.31 C ATOM 444 C ILE B 111 11.162 16.668 10.683 1.00 0.32 C ATOM 445 O ILE B 111 10.628 16.139 9.728 1.00 0.42 O ATOM 446 CB ILE B 111 13.299 15.381 10.553 1.00 0.37 C ATOM 447 CG1 ILE B 111 14.397 14.703 11.374 1.00 0.36 C ATOM 448 CG2 ILE B 111 13.908 16.521 9.735 1.00 0.42 C ATOM 449 CD1 ILE B 111 14.887 15.663 12.460 1.00 0.37 C ATOM 450 HA ILE B 111 12.697 16.642 12.192 1.00 0.00 H ATOM 451 HB ILE B 111 12.843 14.655 9.880 1.00 0.00 H ATOM 452 HG12 ILE B 111 13.999 13.801 11.838 1.00 0.00 H ATOM 453 HG13 ILE B 111 15.228 14.438 10.721 1.00 0.00 H ATOM 454 HD11 ILE B 111 15.285 16.564 11.994 1.00 0.00 H ATOM 455 HD12 ILE B 111 14.055 15.927 13.112 1.00 0.00 H ATOM 456 HD13 ILE B 111 15.669 15.179 13.045 1.00 0.00 H ATOM 457 HG21 ILE B 111 13.125 17.007 9.152 1.00 0.00 H ATOM 458 HG22 ILE B 111 14.365 17.246 10.409 1.00 0.00 H ATOM 459 HG23 ILE B 111 14.667 16.119 9.063 1.00 0.00 H ATOM 460 H ILE B 111 11.823 13.840 12.009 1.00 0.00 H ATOM 461 N LEU B 112 10.844 17.879 11.052 1.00 0.32 N ATOM 462 CA LEU B 112 9.809 18.640 10.297 1.00 0.36 C ATOM 463 C LEU B 112 10.487 19.465 9.204 1.00 0.40 C ATOM 464 O LEU B 112 10.026 19.529 8.082 1.00 0.54 O ATOM 465 CB LEU B 112 9.061 19.575 11.251 1.00 0.38 C ATOM 466 CG LEU B 112 8.954 18.923 12.631 1.00 0.50 C ATOM 467 CD1 LEU B 112 8.290 19.898 13.605 1.00 0.72 C ATOM 468 CD2 LEU B 112 8.109 17.651 12.530 1.00 0.76 C ATOM 469 HA LEU B 112 9.102 17.944 9.846 1.00 0.00 H ATOM 470 HB2 LEU B 112 9.603 20.517 11.336 1.00 0.00 H ATOM 471 HB3 LEU B 112 8.061 19.767 10.862 1.00 0.00 H ATOM 472 HG LEU B 112 9.951 18.670 12.991 1.00 0.00 H ATOM 473 HD21 LEU B 112 7.112 17.906 12.170 1.00 0.00 H ATOM 474 HD22 LEU B 112 8.581 16.957 11.835 1.00 0.00 H ATOM 475 HD23 LEU B 112 8.033 17.187 13.514 1.00 0.00 H ATOM 476 HD11 LEU B 112 8.891 20.804 13.676 1.00 0.00 H ATOM 477 HD12 LEU B 112 7.293 20.149 13.243 1.00 0.00 H ATOM 478 HD13 LEU B 112 8.214 19.433 14.588 1.00 0.00 H ATOM 479 H LEU B 112 11.313 18.313 11.873 1.00 0.00 H ATOM 480 N ASN B 113 11.581 20.096 9.525 1.00 0.38 N ATOM 481 CA ASN B 113 12.295 20.917 8.508 1.00 0.48 C ATOM 482 C ASN B 113 13.787 20.575 8.534 1.00 0.48 C ATOM 483 O ASN B 113 14.443 20.693 9.550 1.00 0.58 O ATOM 484 CB ASN B 113 12.106 22.402 8.827 1.00 0.57 C ATOM 485 CG ASN B 113 11.813 23.167 7.536 1.00 1.05 C ATOM 486 OD1 ASN B 113 10.693 23.574 7.297 1.00 1.87 O ATOM 487 ND2 ASN B 113 12.780 23.383 6.686 1.00 1.55 N ATOM 488 HA ASN B 113 11.890 20.704 7.519 1.00 0.00 H ATOM 489 HB2 ASN B 113 11.272 22.522 9.518 1.00 0.00 H ATOM 490 HB3 ASN B 113 13.014 22.794 9.284 1.00 0.00 H ATOM 491 HD22 ASN B 113 13.739 23.035 6.890 1.00 0.00 H ATOM 492 HD21 ASN B 113 12.592 23.903 5.805 1.00 0.00 H ATOM 493 H ASN B 113 11.956 20.026 10.493 1.00 0.00 H ATOM 494 N SER B 114 14.328 20.151 7.424 1.00 0.54 N ATOM 495 CA SER B 114 15.776 19.800 7.389 1.00 0.59 C ATOM 496 C SER B 114 16.413 20.380 6.123 1.00 0.77 C ATOM 497 O SER B 114 17.051 19.680 5.362 1.00 1.26 O ATOM 498 CB SER B 114 15.931 18.278 7.386 1.00 0.65 C ATOM 499 OG SER B 114 14.983 17.712 6.490 1.00 1.08 O ATOM 500 HA SER B 114 16.271 20.215 8.267 1.00 0.00 H ATOM 501 HB2 SER B 114 15.759 17.892 8.391 1.00 0.00 H ATOM 502 HB3 SER B 114 16.939 18.015 7.065 1.00 0.00 H ATOM 503 HG SER B 114 15.141 18.064 5.578 1.00 0.00 H ATOM 504 H SER B 114 13.749 20.058 6.565 1.00 0.00 H ATOM 505 N SER B 115 16.246 21.653 5.892 1.00 0.78 N ATOM 506 CA SER B 115 16.843 22.275 4.676 1.00 0.96 C ATOM 507 C SER B 115 17.798 23.395 5.095 1.00 1.17 C ATOM 508 O SER B 115 18.770 23.679 4.425 1.00 1.74 O ATOM 509 CB SER B 115 15.733 22.857 3.801 1.00 1.20 C ATOM 510 OG SER B 115 15.139 23.963 4.468 1.00 1.84 O ATOM 511 HA SER B 115 17.390 21.518 4.113 1.00 0.00 H ATOM 512 HB2 SER B 115 14.977 22.094 3.616 1.00 0.00 H ATOM 513 HB3 SER B 115 16.153 23.187 2.851 1.00 0.00 H ATOM 514 HG SER B 115 14.420 24.341 3.902 1.00 0.00 H ATOM 515 H SER B 115 15.696 22.234 6.556 1.00 0.00 H ATOM 516 N GLU B 116 17.525 24.031 6.200 1.00 1.15 N ATOM 517 CA GLU B 116 18.411 25.132 6.670 1.00 1.56 C ATOM 518 C GLU B 116 19.838 24.606 6.834 1.00 1.47 C ATOM 519 O GLU B 116 20.244 23.667 6.180 1.00 2.14 O ATOM 520 CB GLU B 116 17.894 25.656 8.012 1.00 2.31 C ATOM 521 CG GLU B 116 17.801 24.501 9.010 1.00 2.76 C ATOM 522 CD GLU B 116 17.587 25.061 10.418 1.00 3.49 C ATOM 523 OE1 GLU B 116 17.761 26.255 10.592 1.00 4.10 O ATOM 524 OE2 GLU B 116 17.253 24.285 11.299 1.00 3.85 O ATOM 525 HA GLU B 116 18.411 25.941 5.940 1.00 0.00 H ATOM 526 HB2 GLU B 116 18.579 26.413 8.395 1.00 0.00 H ATOM 527 HB3 GLU B 116 16.907 26.097 7.874 1.00 0.00 H ATOM 528 HG2 GLU B 116 16.963 23.856 8.744 1.00 0.00 H ATOM 529 HG3 GLU B 116 18.725 23.923 8.985 1.00 0.00 H ATOM 530 H GLU B 116 16.686 23.769 6.755 1.00 0.00 H ATOM 531 N GLY B 117 20.602 25.212 7.698 1.00 1.31 N ATOM 532 CA GLY B 117 22.008 24.759 7.907 1.00 1.62 C ATOM 533 C GLY B 117 22.036 23.254 8.189 1.00 1.27 C ATOM 534 O GLY B 117 21.098 22.537 7.904 1.00 1.75 O ATOM 535 HA3 GLY B 117 22.438 25.294 8.754 1.00 0.00 H ATOM 536 HA2 GLY B 117 22.593 24.970 7.012 1.00 0.00 H ATOM 537 H GLY B 117 20.230 26.015 8.244 1.00 0.00 H ATOM 538 N ASP B 118 23.113 22.770 8.747 1.00 0.82 N ATOM 539 CA ASP B 118 23.212 21.312 9.045 1.00 0.64 C ATOM 540 C ASP B 118 22.339 20.964 10.254 1.00 0.52 C ATOM 541 O ASP B 118 22.303 19.833 10.696 1.00 0.75 O ATOM 542 CB ASP B 118 24.667 20.957 9.353 1.00 0.71 C ATOM 543 CG ASP B 118 25.555 21.383 8.183 1.00 1.11 C ATOM 544 OD1 ASP B 118 25.231 22.374 7.550 1.00 1.62 O ATOM 545 OD2 ASP B 118 26.545 20.713 7.942 1.00 1.74 O ATOM 546 HA ASP B 118 22.867 20.745 8.180 1.00 0.00 H ATOM 547 HB2 ASP B 118 24.984 21.476 10.258 1.00 0.00 H ATOM 548 HB3 ASP B 118 24.755 19.881 9.503 1.00 0.00 H ATOM 549 H ASP B 118 23.904 23.403 8.984 1.00 0.00 H ATOM 550 N TRP B 119 21.639 21.922 10.796 1.00 0.41 N ATOM 551 CA TRP B 119 20.778 21.633 11.977 1.00 0.31 C ATOM 552 C TRP B 119 19.307 21.654 11.560 1.00 0.31 C ATOM 553 O TRP B 119 18.833 22.603 10.967 1.00 0.38 O ATOM 554 CB TRP B 119 21.020 22.691 13.054 1.00 0.38 C ATOM 555 CG TRP B 119 22.298 22.389 13.767 1.00 0.36 C ATOM 556 CD1 TRP B 119 23.519 22.352 13.188 1.00 0.40 C ATOM 557 CD2 TRP B 119 22.503 22.080 15.175 1.00 0.37 C ATOM 558 NE1 TRP B 119 24.461 22.040 14.151 1.00 0.42 N ATOM 559 CE2 TRP B 119 23.884 21.863 15.392 1.00 0.40 C ATOM 560 CE3 TRP B 119 21.633 21.968 16.275 1.00 0.43 C ATOM 561 CZ2 TRP B 119 24.385 21.546 16.655 1.00 0.44 C ATOM 562 CZ3 TRP B 119 22.134 21.649 17.548 1.00 0.48 C ATOM 563 CH2 TRP B 119 23.508 21.438 17.737 1.00 0.48 C ATOM 564 HA TRP B 119 21.025 20.648 12.372 1.00 0.00 H ATOM 565 HB2 TRP B 119 21.086 23.675 12.590 1.00 0.00 H ATOM 566 HB3 TRP B 119 20.195 22.681 13.766 1.00 0.00 H ATOM 567 HE1 TRP B 119 25.480 21.950 13.963 1.00 0.00 H ATOM 568 HD1 TRP B 119 23.727 22.538 12.134 1.00 0.00 H ATOM 569 HZ2 TRP B 119 25.454 21.384 16.797 1.00 0.00 H ATOM 570 HH2 TRP B 119 23.891 21.190 18.727 1.00 0.00 H ATOM 571 HZ3 TRP B 119 21.451 21.565 18.394 1.00 0.00 H ATOM 572 HE3 TRP B 119 20.564 22.130 16.139 1.00 0.00 H ATOM 573 H TRP B 119 21.682 22.885 10.405 1.00 0.00 H ATOM 574 N TRP B 120 18.579 20.614 11.867 1.00 0.28 N ATOM 575 CA TRP B 120 17.138 20.576 11.490 1.00 0.31 C ATOM 576 C TRP B 120 16.280 20.705 12.750 1.00 0.27 C ATOM 577 O TRP B 120 16.770 20.618 13.858 1.00 0.31 O ATOM 578 CB TRP B 120 16.821 19.247 10.801 1.00 0.36 C ATOM 579 CG TRP B 120 17.844 18.967 9.748 1.00 0.36 C ATOM 580 CD1 TRP B 120 18.669 19.887 9.199 1.00 0.39 C ATOM 581 CD2 TRP B 120 18.164 17.697 9.108 1.00 0.39 C ATOM 582 NE1 TRP B 120 19.475 19.264 8.263 1.00 0.47 N ATOM 583 CE2 TRP B 120 19.201 17.913 8.171 1.00 0.46 C ATOM 584 CE3 TRP B 120 17.659 16.392 9.250 1.00 0.41 C ATOM 585 CZ2 TRP B 120 19.719 16.872 7.400 1.00 0.53 C ATOM 586 CZ3 TRP B 120 18.177 15.341 8.476 1.00 0.46 C ATOM 587 CH2 TRP B 120 19.205 15.581 7.553 1.00 0.52 C ATOM 588 HA TRP B 120 16.922 21.400 10.810 1.00 0.00 H ATOM 589 HB2 TRP B 120 16.832 18.445 11.539 1.00 0.00 H ATOM 590 HB3 TRP B 120 15.834 19.303 10.342 1.00 0.00 H ATOM 591 HE1 TRP B 120 20.198 19.753 7.698 1.00 0.00 H ATOM 592 HD1 TRP B 120 18.695 20.947 9.453 1.00 0.00 H ATOM 593 HZ2 TRP B 120 20.518 17.064 6.684 1.00 0.00 H ATOM 594 HH2 TRP B 120 19.603 14.761 6.955 1.00 0.00 H ATOM 595 HZ3 TRP B 120 17.778 14.333 8.593 1.00 0.00 H ATOM 596 HE3 TRP B 120 16.860 16.195 9.965 1.00 0.00 H ATOM 597 H TRP B 120 19.005 19.812 12.375 1.00 0.00 H ATOM 598 N GLU B 121 15.002 20.907 12.589 1.00 0.30 N ATOM 599 CA GLU B 121 14.112 21.036 13.777 1.00 0.28 C ATOM 600 C GLU B 121 13.310 19.744 13.948 1.00 0.24 C ATOM 601 O GLU B 121 12.450 19.426 13.152 1.00 0.30 O ATOM 602 CB GLU B 121 13.153 22.210 13.575 1.00 0.36 C ATOM 603 CG GLU B 121 12.809 22.343 12.091 1.00 1.09 C ATOM 604 CD GLU B 121 11.746 23.427 11.908 1.00 1.19 C ATOM 605 OE1 GLU B 121 10.585 23.138 12.149 1.00 1.73 O ATOM 606 OE2 GLU B 121 12.109 24.529 11.530 1.00 1.56 O ATOM 607 HA GLU B 121 14.715 21.214 14.667 1.00 0.00 H ATOM 608 HB2 GLU B 121 12.240 22.035 14.145 1.00 0.00 H ATOM 609 HB3 GLU B 121 13.626 23.129 13.922 1.00 0.00 H ATOM 610 HG2 GLU B 121 13.705 22.615 11.533 1.00 0.00 H ATOM 611 HG3 GLU B 121 12.426 21.392 11.720 1.00 0.00 H ATOM 612 H GLU B 121 14.604 20.978 11.631 1.00 0.00 H ATOM 613 N ALA B 122 13.587 18.994 14.980 1.00 0.23 N ATOM 614 CA ALA B 122 12.842 17.723 15.196 1.00 0.27 C ATOM 615 C ALA B 122 11.897 17.879 16.389 1.00 0.26 C ATOM 616 O ALA B 122 12.083 18.731 17.235 1.00 0.33 O ATOM 617 CB ALA B 122 13.833 16.592 15.475 1.00 0.33 C ATOM 618 HA ALA B 122 12.262 17.487 14.304 1.00 0.00 H ATOM 619 HB1 ALA B 122 14.504 16.480 14.623 1.00 0.00 H ATOM 620 HB2 ALA B 122 14.413 16.830 16.367 1.00 0.00 H ATOM 621 HB3 ALA B 122 13.286 15.662 15.633 1.00 0.00 H ATOM 622 H ALA B 122 14.327 19.284 15.651 1.00 0.00 H ATOM 623 N ARG B 123 10.885 17.059 16.464 1.00 0.26 N ATOM 624 CA ARG B 123 9.928 17.155 17.602 1.00 0.30 C ATOM 625 C ARG B 123 10.065 15.914 18.485 1.00 0.27 C ATOM 626 O ARG B 123 9.937 14.796 18.026 1.00 0.35 O ATOM 627 CB ARG B 123 8.499 17.243 17.059 1.00 0.37 C ATOM 628 CG ARG B 123 7.593 17.893 18.107 1.00 0.80 C ATOM 629 CD ARG B 123 6.498 16.907 18.519 1.00 1.06 C ATOM 630 NE ARG B 123 5.616 16.628 17.350 1.00 1.40 N ATOM 631 CZ ARG B 123 4.563 17.369 17.135 1.00 1.43 C ATOM 632 NH1 ARG B 123 4.527 18.597 17.578 1.00 1.70 N ATOM 633 NH2 ARG B 123 3.547 16.883 16.475 1.00 2.13 N ATOM 634 HA ARG B 123 10.147 18.046 18.191 1.00 0.00 H ATOM 635 HB2 ARG B 123 8.492 17.844 16.150 1.00 0.00 H ATOM 636 HB3 ARG B 123 8.133 16.241 16.834 1.00 0.00 H ATOM 637 HG2 ARG B 123 8.185 18.165 18.981 1.00 0.00 H ATOM 638 HG3 ARG B 123 7.136 18.789 17.687 1.00 0.00 H ATOM 639 HD2 ARG B 123 5.906 17.337 19.327 1.00 0.00 H ATOM 640 HD3 ARG B 123 6.955 15.978 18.860 1.00 0.00 H ATOM 641 HE ARG B 123 5.840 15.843 16.706 1.00 0.00 H ATOM 642 HH12 ARG B 123 3.688 19.187 17.407 1.00 0.00 H ATOM 643 HH11 ARG B 123 5.337 18.985 18.102 1.00 0.00 H ATOM 644 HH22 ARG B 123 2.708 17.473 16.304 1.00 0.00 H ATOM 645 HH21 ARG B 123 3.577 15.906 16.121 1.00 0.00 H ATOM 646 H ARG B 123 10.746 16.337 15.728 1.00 0.00 H ATOM 647 N SER B 124 10.327 16.099 19.751 1.00 0.37 N ATOM 648 CA SER B 124 10.474 14.928 20.661 1.00 0.39 C ATOM 649 C SER B 124 9.136 14.193 20.767 1.00 0.40 C ATOM 650 O SER B 124 8.155 14.734 21.237 1.00 0.45 O ATOM 651 CB SER B 124 10.901 15.412 22.048 1.00 0.50 C ATOM 652 OG SER B 124 12.099 14.749 22.428 1.00 1.34 O ATOM 653 HA SER B 124 11.230 14.251 20.263 1.00 0.00 H ATOM 654 HB2 SER B 124 10.116 15.188 22.770 1.00 0.00 H ATOM 655 HB3 SER B 124 11.073 16.488 22.022 1.00 0.00 H ATOM 656 HG SER B 124 12.377 15.061 23.326 1.00 0.00 H ATOM 657 H SER B 124 10.433 17.064 20.124 1.00 0.00 H ATOM 658 N LEU B 125 9.088 12.963 20.335 1.00 0.43 N ATOM 659 CA LEU B 125 7.813 12.196 20.412 1.00 0.49 C ATOM 660 C LEU B 125 7.516 11.843 21.871 1.00 0.54 C ATOM 661 O LEU B 125 6.410 11.479 22.218 1.00 0.66 O ATOM 662 CB LEU B 125 7.940 10.911 19.591 1.00 0.54 C ATOM 663 CG LEU B 125 7.869 11.247 18.101 1.00 0.58 C ATOM 664 CD1 LEU B 125 8.389 10.063 17.284 1.00 0.88 C ATOM 665 CD2 LEU B 125 6.418 11.536 17.712 1.00 0.81 C ATOM 666 HA LEU B 125 7.000 12.803 20.013 1.00 0.00 H ATOM 667 HB2 LEU B 125 8.894 10.432 19.810 1.00 0.00 H ATOM 668 HB3 LEU B 125 7.127 10.233 19.850 1.00 0.00 H ATOM 669 HG LEU B 125 8.482 12.125 17.898 1.00 0.00 H ATOM 670 HD21 LEU B 125 5.806 10.657 17.916 1.00 0.00 H ATOM 671 HD22 LEU B 125 6.049 12.381 18.294 1.00 0.00 H ATOM 672 HD23 LEU B 125 6.369 11.775 16.650 1.00 0.00 H ATOM 673 HD11 LEU B 125 9.423 9.858 17.561 1.00 0.00 H ATOM 674 HD12 LEU B 125 7.776 9.185 17.488 1.00 0.00 H ATOM 675 HD13 LEU B 125 8.337 10.305 16.222 1.00 0.00 H ATOM 676 H LEU B 125 9.940 12.518 19.937 1.00 0.00 H ATOM 677 N THR B 126 8.494 11.948 22.728 1.00 0.52 N ATOM 678 CA THR B 126 8.266 11.619 24.163 1.00 0.61 C ATOM 679 C THR B 126 7.815 12.877 24.909 1.00 0.63 C ATOM 680 O THR B 126 6.687 12.978 25.351 1.00 0.70 O ATOM 681 CB THR B 126 9.567 11.100 24.781 1.00 0.71 C ATOM 682 OG1 THR B 126 9.903 9.852 24.193 1.00 0.76 O ATOM 683 CG2 THR B 126 9.383 10.924 26.289 1.00 0.90 C ATOM 684 HA THR B 126 7.495 10.853 24.242 1.00 0.00 H ATOM 685 HB THR B 126 10.368 11.816 24.597 1.00 0.00 H ATOM 686 HG1 THR B 126 10.744 9.516 24.592 1.00 0.00 H ATOM 687 HG23 THR B 126 9.125 11.884 26.737 1.00 0.00 H ATOM 688 HG21 THR B 126 8.582 10.208 26.475 1.00 0.00 H ATOM 689 HG22 THR B 126 10.311 10.555 26.726 1.00 0.00 H ATOM 690 H THR B 126 9.433 12.261 22.409 1.00 0.00 H ATOM 691 N THR B 127 8.687 13.837 25.051 1.00 0.67 N ATOM 692 CA THR B 127 8.310 15.087 25.767 1.00 0.78 C ATOM 693 C THR B 127 7.233 15.825 24.968 1.00 0.72 C ATOM 694 O THR B 127 6.201 16.193 25.492 1.00 0.95 O ATOM 695 CB THR B 127 9.543 15.982 25.911 1.00 0.87 C ATOM 696 OG1 THR B 127 10.114 16.209 24.630 1.00 0.93 O ATOM 697 CG2 THR B 127 10.569 15.298 26.816 1.00 1.07 C ATOM 698 HA THR B 127 7.924 14.839 26.756 1.00 0.00 H ATOM 699 HB THR B 127 9.251 16.935 26.352 1.00 0.00 H ATOM 700 HG1 THR B 127 10.912 16.788 24.723 1.00 0.00 H ATOM 701 HG23 THR B 127 10.128 15.125 27.798 1.00 0.00 H ATOM 702 HG21 THR B 127 10.862 14.345 26.375 1.00 0.00 H ATOM 703 HG22 THR B 127 11.446 15.938 26.918 1.00 0.00 H ATOM 704 H THR B 127 9.646 13.729 24.664 1.00 0.00 H ATOM 705 N GLY B 128 7.466 16.043 23.703 1.00 0.56 N ATOM 706 CA GLY B 128 6.455 16.756 22.871 1.00 0.59 C ATOM 707 C GLY B 128 6.982 18.142 22.497 1.00 0.60 C ATOM 708 O GLY B 128 6.439 18.812 21.642 1.00 0.72 O ATOM 709 HA3 GLY B 128 5.529 16.860 23.436 1.00 0.00 H ATOM 710 HA2 GLY B 128 6.263 16.184 21.963 1.00 0.00 H ATOM 711 H GLY B 128 8.357 15.719 23.275 1.00 0.00 H ATOM 712 N GLU B 129 8.036 18.578 23.130 1.00 0.62 N ATOM 713 CA GLU B 129 8.595 19.921 22.807 1.00 0.68 C ATOM 714 C GLU B 129 9.465 19.819 21.553 1.00 0.54 C ATOM 715 O GLU B 129 10.197 18.867 21.370 1.00 0.62 O ATOM 716 CB GLU B 129 9.445 20.415 23.979 1.00 0.84 C ATOM 717 CG GLU B 129 10.551 19.399 24.268 1.00 1.31 C ATOM 718 CD GLU B 129 10.614 19.128 25.773 1.00 1.75 C ATOM 719 OE1 GLU B 129 10.196 19.990 26.528 1.00 2.29 O ATOM 720 OE2 GLU B 129 11.079 18.063 26.144 1.00 2.29 O ATOM 721 HA GLU B 129 7.780 20.623 22.630 1.00 0.00 H ATOM 722 HB2 GLU B 129 9.891 21.377 23.725 1.00 0.00 H ATOM 723 HB3 GLU B 129 8.816 20.530 24.862 1.00 0.00 H ATOM 724 HG2 GLU B 129 10.338 18.470 23.740 1.00 0.00 H ATOM 725 HG3 GLU B 129 11.508 19.797 23.930 1.00 0.00 H ATOM 726 H GLU B 129 8.486 17.989 23.859 1.00 0.00 H ATOM 727 N THR B 130 9.390 20.791 20.685 1.00 0.53 N ATOM 728 CA THR B 130 10.213 20.744 19.443 1.00 0.46 C ATOM 729 C THR B 130 11.488 21.568 19.641 1.00 0.39 C ATOM 730 O THR B 130 11.568 22.406 20.516 1.00 0.49 O ATOM 731 CB THR B 130 9.407 21.320 18.276 1.00 0.58 C ATOM 732 OG1 THR B 130 8.023 21.285 18.595 1.00 1.21 O ATOM 733 CG2 THR B 130 9.664 20.488 17.018 1.00 0.97 C ATOM 734 HA THR B 130 10.482 19.710 19.224 1.00 0.00 H ATOM 735 HB THR B 130 9.712 22.351 18.096 1.00 0.00 H ATOM 736 HG1 THR B 130 7.502 21.658 17.840 1.00 0.00 H ATOM 737 HG23 THR B 130 10.726 20.517 16.776 1.00 0.00 H ATOM 738 HG21 THR B 130 9.359 19.457 17.197 1.00 0.00 H ATOM 739 HG22 THR B 130 9.090 20.900 16.188 1.00 0.00 H ATOM 740 H THR B 130 8.757 21.597 20.860 1.00 0.00 H ATOM 741 N GLY B 131 12.486 21.333 18.832 1.00 0.32 N ATOM 742 CA GLY B 131 13.757 22.100 18.972 1.00 0.34 C ATOM 743 C GLY B 131 14.647 21.840 17.754 1.00 0.30 C ATOM 744 O GLY B 131 14.225 21.245 16.782 1.00 0.30 O ATOM 745 HA3 GLY B 131 14.276 21.782 19.876 1.00 0.00 H ATOM 746 HA2 GLY B 131 13.534 23.165 19.038 1.00 0.00 H ATOM 747 H GLY B 131 12.394 20.610 18.090 1.00 0.00 H ATOM 748 N TYR B 132 15.875 22.281 17.796 1.00 0.33 N ATOM 749 CA TYR B 132 16.786 22.059 16.637 1.00 0.33 C ATOM 750 C TYR B 132 17.939 21.145 17.058 1.00 0.32 C ATOM 751 O TYR B 132 18.681 21.444 17.972 1.00 0.43 O ATOM 752 CB TYR B 132 17.346 23.402 16.165 1.00 0.39 C ATOM 753 CG TYR B 132 16.206 24.304 15.760 1.00 0.40 C ATOM 754 CD1 TYR B 132 15.435 24.938 16.741 1.00 1.33 C ATOM 755 CD2 TYR B 132 15.918 24.505 14.405 1.00 1.16 C ATOM 756 CE1 TYR B 132 14.375 25.773 16.368 1.00 1.37 C ATOM 757 CE2 TYR B 132 14.859 25.340 14.031 1.00 1.14 C ATOM 758 CZ TYR B 132 14.087 25.974 15.013 1.00 0.49 C ATOM 759 OH TYR B 132 13.042 26.797 14.644 1.00 0.55 O ATOM 760 HA TYR B 132 16.231 21.590 15.825 1.00 0.00 H ATOM 761 HB3 TYR B 132 18.005 23.242 15.312 1.00 0.00 H ATOM 762 HB2 TYR B 132 17.908 23.867 16.975 1.00 0.00 H ATOM 763 HD2 TYR B 132 16.519 24.011 13.641 1.00 0.00 H ATOM 764 HE2 TYR B 132 14.635 25.497 12.976 1.00 0.00 H ATOM 765 HE1 TYR B 132 13.774 26.266 17.132 1.00 0.00 H ATOM 766 HD1 TYR B 132 15.660 24.782 17.796 1.00 0.00 H ATOM 767 HH TYR B 132 12.607 27.160 15.456 1.00 0.00 H ATOM 768 H TYR B 132 16.218 22.787 18.638 1.00 0.00 H ATOM 769 N ILE B 133 18.096 20.032 16.394 1.00 0.28 N ATOM 770 CA ILE B 133 19.201 19.099 16.752 1.00 0.27 C ATOM 771 C ILE B 133 20.107 18.896 15.534 1.00 0.27 C ATOM 772 O ILE B 133 19.701 19.135 14.414 1.00 0.27 O ATOM 773 CB ILE B 133 18.612 17.754 17.182 1.00 0.27 C ATOM 774 CG1 ILE B 133 17.705 17.217 16.072 1.00 0.33 C ATOM 775 CG2 ILE B 133 17.794 17.941 18.461 1.00 0.36 C ATOM 776 CD1 ILE B 133 18.101 15.777 15.741 1.00 0.86 C ATOM 777 HA ILE B 133 19.783 19.518 17.573 1.00 0.00 H ATOM 778 HB ILE B 133 19.420 17.046 17.367 1.00 0.00 H ATOM 779 HG12 ILE B 133 16.668 17.241 16.406 1.00 0.00 H ATOM 780 HG13 ILE B 133 17.813 17.837 15.182 1.00 0.00 H ATOM 781 HD11 ILE B 133 19.138 15.755 15.406 1.00 0.00 H ATOM 782 HD12 ILE B 133 17.992 15.158 16.631 1.00 0.00 H ATOM 783 HD13 ILE B 133 17.454 15.396 14.951 1.00 0.00 H ATOM 784 HG21 ILE B 133 18.440 18.325 19.251 1.00 0.00 H ATOM 785 HG22 ILE B 133 16.986 18.649 18.274 1.00 0.00 H ATOM 786 HG23 ILE B 133 17.375 16.982 18.766 1.00 0.00 H ATOM 787 H ILE B 133 17.449 19.796 15.614 1.00 0.00 H ATOM 788 N PRO B 134 21.311 18.460 15.795 1.00 0.30 N ATOM 789 CA PRO B 134 22.303 18.213 14.734 1.00 0.32 C ATOM 790 C PRO B 134 21.777 17.161 13.755 1.00 0.29 C ATOM 791 O PRO B 134 21.395 16.075 14.143 1.00 0.27 O ATOM 792 CB PRO B 134 23.547 17.697 15.473 1.00 0.35 C ATOM 793 CG PRO B 134 23.216 17.667 16.988 1.00 0.36 C ATOM 794 CD PRO B 134 21.776 18.176 17.163 1.00 0.34 C ATOM 795 HA PRO B 134 22.519 19.106 14.148 1.00 0.00 H ATOM 796 HD3 PRO B 134 21.153 17.414 17.631 1.00 0.00 H ATOM 797 HD2 PRO B 134 21.759 19.081 17.771 1.00 0.00 H ATOM 798 HG3 PRO B 134 23.906 18.312 17.532 1.00 0.00 H ATOM 799 HG2 PRO B 134 23.298 16.648 17.366 1.00 0.00 H ATOM 800 HB2 PRO B 134 23.795 16.694 15.127 1.00 0.00 H ATOM 801 HB3 PRO B 134 24.391 18.362 15.290 1.00 0.00 H ATOM 802 N SER B 135 21.748 17.476 12.490 1.00 0.32 N ATOM 803 CA SER B 135 21.243 16.499 11.489 1.00 0.31 C ATOM 804 C SER B 135 22.189 15.298 11.422 1.00 0.32 C ATOM 805 O SER B 135 21.781 14.189 11.139 1.00 0.31 O ATOM 806 CB SER B 135 21.174 17.173 10.120 1.00 0.38 C ATOM 807 OG SER B 135 22.464 17.658 9.769 1.00 0.55 O ATOM 808 HA SER B 135 20.249 16.158 11.780 1.00 0.00 H ATOM 809 HB2 SER B 135 20.470 18.004 10.158 1.00 0.00 H ATOM 810 HB3 SER B 135 20.841 16.451 9.375 1.00 0.00 H ATOM 811 HG SER B 135 22.764 18.314 10.447 1.00 0.00 H ATOM 812 H SER B 135 22.079 18.412 12.181 1.00 0.00 H ATOM 813 N ASN B 136 23.452 15.508 11.682 1.00 0.35 N ATOM 814 CA ASN B 136 24.420 14.376 11.632 1.00 0.39 C ATOM 815 C ASN B 136 24.241 13.495 12.874 1.00 0.36 C ATOM 816 O ASN B 136 24.943 12.522 13.062 1.00 0.45 O ATOM 817 CB ASN B 136 25.851 14.932 11.579 1.00 0.46 C ATOM 818 CG ASN B 136 26.605 14.586 12.867 1.00 1.06 C ATOM 819 OD1 ASN B 136 27.447 13.709 12.874 1.00 2.16 O ATOM 820 ND2 ASN B 136 26.337 15.241 13.963 1.00 0.87 N ATOM 821 HA ASN B 136 24.238 13.774 10.742 1.00 0.00 H ATOM 822 HB2 ASN B 136 26.375 14.497 10.728 1.00 0.00 H ATOM 823 HB3 ASN B 136 25.812 16.015 11.465 1.00 0.00 H ATOM 824 HD22 ASN B 136 25.617 15.991 13.958 1.00 0.00 H ATOM 825 HD21 ASN B 136 26.844 15.013 14.842 1.00 0.00 H ATOM 826 H ASN B 136 23.782 16.464 11.924 1.00 0.00 H ATOM 827 N TYR B 137 23.307 13.830 13.722 1.00 0.32 N ATOM 828 CA TYR B 137 23.086 13.014 14.948 1.00 0.32 C ATOM 829 C TYR B 137 21.768 12.247 14.823 1.00 0.29 C ATOM 830 O TYR B 137 21.278 11.679 15.779 1.00 0.30 O ATOM 831 CB TYR B 137 23.024 13.936 16.168 1.00 0.33 C ATOM 832 CG TYR B 137 24.316 13.836 16.942 1.00 0.36 C ATOM 833 CD1 TYR B 137 25.514 13.563 16.272 1.00 1.17 C ATOM 834 CD2 TYR B 137 24.315 14.015 18.331 1.00 1.32 C ATOM 835 CE1 TYR B 137 26.712 13.470 16.990 1.00 1.17 C ATOM 836 CE2 TYR B 137 25.513 13.921 19.049 1.00 1.37 C ATOM 837 CZ TYR B 137 26.711 13.649 18.378 1.00 0.52 C ATOM 838 OH TYR B 137 27.892 13.557 19.086 1.00 0.61 O ATOM 839 HA TYR B 137 23.907 12.307 15.065 1.00 0.00 H ATOM 840 HB3 TYR B 137 22.193 13.637 16.807 1.00 0.00 H ATOM 841 HB2 TYR B 137 22.876 14.965 15.839 1.00 0.00 H ATOM 842 HD2 TYR B 137 23.382 14.227 18.853 1.00 0.00 H ATOM 843 HE2 TYR B 137 25.513 14.060 20.130 1.00 0.00 H ATOM 844 HE1 TYR B 137 27.645 13.258 16.468 1.00 0.00 H ATOM 845 HD1 TYR B 137 25.514 13.423 15.191 1.00 0.00 H ATOM 846 HH TYR B 137 28.635 13.362 18.462 1.00 0.00 H ATOM 847 H TYR B 137 22.717 14.667 13.541 1.00 0.00 H ATOM 848 N VAL B 138 21.188 12.224 13.654 1.00 0.29 N ATOM 849 CA VAL B 138 19.903 11.491 13.476 1.00 0.28 C ATOM 850 C VAL B 138 19.880 10.820 12.102 1.00 0.31 C ATOM 851 O VAL B 138 20.496 11.283 11.163 1.00 0.36 O ATOM 852 CB VAL B 138 18.736 12.475 13.583 1.00 0.31 C ATOM 853 CG1 VAL B 138 18.736 13.120 14.970 1.00 0.40 C ATOM 854 CG2 VAL B 138 18.888 13.562 12.517 1.00 0.39 C ATOM 855 HA VAL B 138 19.810 10.730 14.251 1.00 0.00 H ATOM 856 HB VAL B 138 17.797 11.942 13.430 1.00 0.00 H ATOM 857 HG11 VAL B 138 18.629 12.345 15.729 1.00 0.00 H ATOM 858 HG12 VAL B 138 19.675 13.652 15.122 1.00 0.00 H ATOM 859 HG13 VAL B 138 17.904 13.820 15.044 1.00 0.00 H ATOM 860 HG21 VAL B 138 19.827 14.092 12.672 1.00 0.00 H ATOM 861 HG22 VAL B 138 18.888 13.102 11.529 1.00 0.00 H ATOM 862 HG23 VAL B 138 18.057 14.263 12.593 1.00 0.00 H ATOM 863 H VAL B 138 21.622 12.717 12.848 1.00 0.00 H ATOM 864 N ALA B 139 19.171 9.732 11.976 1.00 0.30 N ATOM 865 CA ALA B 139 19.106 9.031 10.663 1.00 0.37 C ATOM 866 C ALA B 139 17.717 8.413 10.486 1.00 0.35 C ATOM 867 O ALA B 139 16.995 8.227 11.445 1.00 0.30 O ATOM 868 CB ALA B 139 20.164 7.926 10.621 1.00 0.45 C ATOM 869 HA ALA B 139 19.294 9.744 9.860 1.00 0.00 H ATOM 870 HB1 ALA B 139 21.153 8.366 10.750 1.00 0.00 H ATOM 871 HB2 ALA B 139 19.975 7.213 11.424 1.00 0.00 H ATOM 872 HB3 ALA B 139 20.115 7.414 9.660 1.00 0.00 H ATOM 873 H ALA B 139 18.651 9.354 12.793 1.00 0.00 H ATOM 874 N PRO B 140 17.390 8.113 9.258 1.00 0.43 N ATOM 875 CA PRO B 140 16.090 7.511 8.913 1.00 0.48 C ATOM 876 C PRO B 140 15.927 6.165 9.622 1.00 0.49 C ATOM 877 O PRO B 140 16.887 5.463 9.873 1.00 0.59 O ATOM 878 CB PRO B 140 16.139 7.319 7.391 1.00 0.62 C ATOM 879 CG PRO B 140 17.515 7.836 6.894 1.00 0.65 C ATOM 880 CD PRO B 140 18.290 8.350 8.117 1.00 0.53 C ATOM 881 HA PRO B 140 15.248 8.132 9.219 1.00 0.00 H ATOM 882 HD3 PRO B 140 19.222 7.798 8.241 1.00 0.00 H ATOM 883 HD2 PRO B 140 18.509 9.413 8.014 1.00 0.00 H ATOM 884 HG3 PRO B 140 17.371 8.645 6.178 1.00 0.00 H ATOM 885 HG2 PRO B 140 18.067 7.025 6.418 1.00 0.00 H ATOM 886 HB2 PRO B 140 16.029 6.263 7.146 1.00 0.00 H ATOM 887 HB3 PRO B 140 15.337 7.886 6.919 1.00 0.00 H ATOM 888 N VAL B 141 14.718 5.799 9.948 1.00 0.52 N ATOM 889 CA VAL B 141 14.494 4.499 10.641 1.00 0.60 C ATOM 890 C VAL B 141 15.222 3.386 9.884 1.00 0.84 C ATOM 891 O VAL B 141 14.659 2.882 8.926 1.00 1.41 O ATOM 892 CB VAL B 141 12.996 4.196 10.681 1.00 0.66 C ATOM 893 CG1 VAL B 141 12.768 2.821 11.311 1.00 1.35 C ATOM 894 CG2 VAL B 141 12.284 5.263 11.515 1.00 1.42 C ATOM 895 HA VAL B 141 14.880 4.557 11.659 1.00 0.00 H ATOM 896 HB VAL B 141 12.598 4.200 9.666 1.00 0.00 H ATOM 897 HG11 VAL B 141 13.276 2.062 10.717 1.00 0.00 H ATOM 898 HG12 VAL B 141 13.166 2.817 12.326 1.00 0.00 H ATOM 899 HG13 VAL B 141 11.699 2.608 11.338 1.00 0.00 H ATOM 900 HG21 VAL B 141 12.684 5.257 12.529 1.00 0.00 H ATOM 901 HG22 VAL B 141 12.446 6.242 11.065 1.00 0.00 H ATOM 902 HG23 VAL B 141 11.216 5.047 11.544 1.00 0.00 H ATOM 903 H VAL B 141 13.910 6.415 9.724 1.00 0.00 H TER 904 VAL B 141 HETATM 905 N PRO A 1 26.420 31.767 11.491 1.00 0.25 N HETATM 906 CA PRO A 1 27.777 31.140 11.422 1.00 0.07 C HETATM 907 C PRO A 1 27.643 29.663 11.040 1.00 0.23 C HETATM 908 O PRO A 1 26.556 29.120 11.035 1.00 -0.39 O HETATM 909 N PRO A 1 28.762 29.061 10.733 1.00 -0.25 N HETATM 910 CA PRO A 1 28.812 27.641 10.341 1.00 0.13 C HETATM 911 C PRO A 1 28.304 26.760 11.486 1.00 0.20 C HETATM 912 O PRO A 1 28.887 26.714 12.551 1.00 -0.39 O HETATM 913 N PRO A 1 27.221 26.061 11.276 1.00 -0.26 N HETATM 914 CA PRO A 1 26.679 25.187 12.353 1.00 0.13 C HETATM 915 C PRO A 1 27.825 24.409 13.006 1.00 0.21 C HETATM 916 O PRO A 1 28.677 23.875 12.324 1.00 -0.39 O HETATM 917 N PRO A 1 27.808 24.368 14.313 1.00 -0.25 N HETATM 918 CA PRO A 1 28.839 23.658 15.090 1.00 0.13 C HETATM 919 C PRO A 1 28.823 22.166 14.748 1.00 0.20 C HETATM 920 O PRO A 1 29.783 21.627 14.232 1.00 -0.39 O HETATM 921 N PRO A 1 27.740 21.495 15.030 1.00 -0.26 N HETATM 922 CA PRO A 1 27.664 20.040 14.720 1.00 0.13 C HETATM 923 C PRO A 1 28.646 19.277 15.616 1.00 0.21 C HETATM 924 O PRO A 1 29.825 19.215 15.328 1.00 -0.39 O HETATM 925 N PRO A 1 28.126 18.719 16.679 1.00 -0.25 N HETATM 926 CA PRO A 1 28.936 17.951 17.641 1.00 0.13 C HETATM 927 C PRO A 1 29.577 16.746 16.949 1.00 0.20 C HETATM 928 O PRO A 1 28.956 15.717 16.771 1.00 -0.39 O HETATM 929 N PRO A 1 30.815 16.865 16.555 1.00 -0.26 N HETATM 930 CA PRO A 1 31.493 15.727 15.874 1.00 0.13 C HETATM 931 C PRO A 1 31.188 14.428 16.622 1.00 0.20 C HETATM 932 O PRO A 1 31.428 14.312 17.807 1.00 -0.39 O HETATM 933 N PRO A 1 30.663 13.449 15.938 1.00 -0.26 N HETATM 934 CA PRO A 1 30.346 12.157 16.609 1.00 0.13 C HETATM 935 C PRO A 1 31.546 11.712 17.450 1.00 0.21 C HETATM 936 O PRO A 1 32.597 12.319 17.397 1.00 -0.39 O HETATM 937 N PRO A 1 31.348 10.663 18.204 1.00 -0.25 N HETATM 938 CA PRO A 1 32.399 10.108 19.076 1.00 0.13 C HETATM 939 C PRO A 1 33.605 9.662 18.244 1.00 0.20 C HETATM 940 O PRO A 1 33.745 8.502 17.909 1.00 -0.39 O HETATM 941 N PRO A 1 34.479 10.573 17.913 1.00 -0.27 N HETATM 942 CA PRO A 1 35.678 10.202 17.108 1.00 0.12 C HETATM 943 C PRO A 1 35.276 9.224 16.003 1.00 0.20 C HETATM 944 O PRO A 1 34.121 9.121 15.641 1.00 -0.39 O HETATM 945 N PRO A 1 36.222 8.505 15.463 1.00 -0.26 N HETATM 946 CA PRO A 1 35.897 7.533 14.382 1.00 0.15 C HETATM 947 C PRO A 1 35.350 6.245 15.000 1.00 0.21 C HETATM 948 O PRO A 1 36.028 5.238 15.061 1.00 -0.39 O HETATM 949 N PRO A 1 34.129 6.266 15.458 1.00 -0.26 N HETATM 950 CA PRO A 1 33.544 5.041 16.071 1.00 0.15 C HETATM 951 C PRO A 1 34.525 4.466 17.093 1.00 0.21 C HETATM 952 O PRO A 1 34.981 3.346 16.970 1.00 -0.39 O HETATM 953 N PRO A 1 34.855 5.224 18.102 1.00 -0.26 N HETATM 954 CA PRO A 1 35.807 4.722 19.132 1.00 0.13 C HETATM 955 C PRO A 1 35.025 4.191 20.335 1.00 0.20 C HETATM 956 O PRO A 1 34.157 4.856 20.865 1.00 -0.39 O HETATM 957 N PRO A 1 35.323 2.997 20.769 1.00 -0.27 N HETATM 958 CA PRO A 1 34.595 2.426 21.936 1.00 0.12 C HETATM 959 C PRO A 1 33.120 2.245 21.574 1.00 0.06 C HETATM 960 O PRO A 1 32.290 2.848 22.234 1.00 -0.57 O HETATM 961 OXT PRO A 1 32.845 1.508 20.641 1.00 -0.57 O HETATM 962 CB PRO A 1 34.715 3.379 23.127 1.00 0.09 C HETATM 963 OG1 PRO A 1 36.031 3.912 23.176 1.00 -0.39 O HETATM 964 H105 PRO A 1 36.210 4.385 22.372 1.00 0.21 H HETATM 965 CG2 PRO A 1 34.422 2.620 24.422 1.00 -0.04 C HETATM 966 H106 PRO A 1 34.509 3.307 25.277 1.00 0.03 H HETATM 967 H107 PRO A 1 35.144 1.798 24.537 1.00 0.03 H HETATM 968 H108 PRO A 1 33.402 2.209 24.384 1.00 0.03 H HETATM 969 H104 PRO A 1 33.992 4.200 23.013 1.00 0.06 H HETATM 970 H103 PRO A 1 35.031 1.451 22.200 1.00 0.08 H HETATM 971 H102 PRO A 1 36.040 2.466 20.318 1.00 0.19 H HETATM 972 CB PRO A 1 36.720 5.865 19.582 1.00 -0.01 C HETATM 973 CG PRO A 1 37.018 6.778 18.391 1.00 -0.04 C HETATM 974 CD PRO A 1 38.513 7.099 18.354 1.00 -0.01 C HETATM 975 CE PRO A 1 38.984 7.171 16.900 1.00 -0.04 C HETATM 976 NZ PRO A 1 40.406 6.733 16.817 1.00 0.22 N HETATM 977 H99 PRO A 1 40.717 6.780 15.859 1.00 0.20 H HETATM 978 H100 PRO A 1 40.486 5.785 17.150 1.00 0.20 H HETATM 979 H101 PRO A 1 40.978 7.338 17.386 1.00 0.20 H HETATM 980 H97 PRO A 1 38.897 8.206 16.537 1.00 0.08 H HETATM 981 H98 PRO A 1 38.360 6.511 16.279 1.00 0.08 H HETATM 982 H95 PRO A 1 39.070 6.311 18.881 1.00 0.03 H HETATM 983 H96 PRO A 1 38.693 8.066 18.846 1.00 0.03 H HETATM 984 H93 PRO A 1 36.445 7.712 18.493 1.00 0.03 H HETATM 985 H94 PRO A 1 36.729 6.270 17.459 1.00 0.03 H HETATM 986 H91 PRO A 1 37.662 5.451 19.971 1.00 0.03 H HETATM 987 H92 PRO A 1 36.220 6.444 20.372 1.00 0.03 H HETATM 988 H90 PRO A 1 36.416 3.912 18.704 1.00 0.08 H HETATM 989 H89 PRO A 1 34.469 6.143 18.184 1.00 0.19 H HETATM 990 CB PRO A 1 33.278 4.003 14.980 1.00 0.08 C HETATM 991 OG PRO A 1 34.255 4.137 13.956 1.00 -0.39 O HETATM 992 H88 PRO A 1 35.120 3.998 14.325 1.00 0.21 H HETATM 993 H86 PRO A 1 32.276 4.165 14.555 1.00 0.06 H HETATM 994 H87 PRO A 1 33.335 2.993 15.412 1.00 0.06 H HETATM 995 H85 PRO A 1 32.599 5.297 16.573 1.00 0.08 H HETATM 996 H84 PRO A 1 33.586 7.104 15.398 1.00 0.19 H HETATM 997 CB PRO A 1 37.162 7.217 13.585 1.00 0.08 C HETATM 998 OG PRO A 1 37.476 8.320 12.745 1.00 -0.39 O HETATM 999 H83 PRO A 1 38.262 8.125 12.249 1.00 0.21 H HETATM 1000 H81 PRO A 1 36.994 6.322 12.968 1.00 0.06 H HETATM 1001 H82 PRO A 1 37.996 7.034 14.278 1.00 0.06 H HETATM 1002 H80 PRO A 1 35.141 7.968 13.713 1.00 0.08 H HETATM 1003 H79 PRO A 1 37.166 8.607 15.775 1.00 0.19 H HETATM 1004 H77 PRO A 1 36.425 9.728 17.762 1.00 0.08 H HETATM 1005 H78 PRO A 1 36.109 11.107 16.656 1.00 0.08 H HETATM 1006 H76 PRO A 1 34.344 11.521 18.200 1.00 0.19 H HETATM 1007 CB PRO A 1 31.742 8.902 19.762 1.00 -0.01 C HETATM 1008 CG PRO A 1 30.285 8.800 19.243 1.00 -0.03 C HETATM 1009 CD PRO A 1 30.061 9.948 18.247 1.00 0.04 C HETATM 1010 H74 PRO A 1 29.803 9.554 17.253 1.00 0.05 H HETATM 1011 H75 PRO A 1 29.259 10.614 18.597 1.00 0.05 H HETATM 1012 H72 PRO A 1 29.581 8.891 20.083 1.00 0.03 H HETATM 1013 H73 PRO A 1 30.133 7.833 18.740 1.00 0.03 H HETATM 1014 H70 PRO A 1 31.742 9.046 20.853 1.00 0.03 H HETATM 1015 H71 PRO A 1 32.293 7.983 19.513 1.00 0.03 H HETATM 1016 H69 PRO A 1 32.720 10.852 19.820 1.00 0.08 H HETATM 1017 CB PRO A 1 30.041 11.096 15.549 1.00 -0.02 C HETATM 1018 H66 PRO A 1 29.807 10.141 16.043 1.00 0.03 H HETATM 1019 H67 PRO A 1 30.918 10.966 14.897 1.00 0.03 H HETATM 1020 H68 PRO A 1 29.180 11.418 14.945 1.00 0.03 H HETATM 1021 H65 PRO A 1 29.470 12.287 17.261 1.00 0.08 H HETATM 1022 H64 PRO A 1 30.473 13.566 14.963 1.00 0.19 H HETATM 1023 CB PRO A 1 33.003 15.965 15.862 1.00 -0.01 C HETATM 1024 CG1 PRO A 1 33.712 14.712 15.346 1.00 -0.06 C HETATM 1025 H58 PRO A 1 34.799 14.883 15.337 1.00 0.02 H HETATM 1026 H59 PRO A 1 33.368 14.490 14.325 1.00 0.02 H HETATM 1027 H60 PRO A 1 33.480 13.862 16.004 1.00 0.02 H HETATM 1028 CG2 PRO A 1 33.326 17.147 14.945 1.00 -0.06 C HETATM 1029 H61 PRO A 1 32.816 18.049 15.316 1.00 0.02 H HETATM 1030 H62 PRO A 1 32.981 16.924 13.925 1.00 0.02 H HETATM 1031 H63 PRO A 1 34.413 17.318 14.936 1.00 0.02 H HETATM 1032 H57 PRO A 1 33.347 16.188 16.883 1.00 0.03 H HETATM 1033 H56 PRO A 1 31.127 15.649 14.840 1.00 0.08 H HETATM 1034 H55 PRO A 1 31.309 17.721 16.710 1.00 0.19 H HETATM 1035 CB PRO A 1 27.939 17.490 18.714 1.00 -0.01 C HETATM 1036 CG PRO A 1 26.539 18.026 18.318 1.00 -0.03 C HETATM 1037 CD PRO A 1 26.692 18.809 17.004 1.00 0.04 C HETATM 1038 H53 PRO A 1 26.085 18.353 16.208 1.00 0.05 H HETATM 1039 H54 PRO A 1 26.390 19.858 17.140 1.00 0.05 H HETATM 1040 H51 PRO A 1 26.155 18.690 19.107 1.00 0.03 H HETATM 1041 H52 PRO A 1 25.843 17.186 18.175 1.00 0.03 H HETATM 1042 H49 PRO A 1 28.231 17.893 19.695 1.00 0.03 H HETATM 1043 H50 PRO A 1 27.920 16.391 18.760 1.00 0.03 H HETATM 1044 H48 PRO A 1 29.720 18.583 18.084 1.00 0.08 H HETATM 1045 CB PRO A 1 28.031 19.814 13.251 1.00 -0.01 C HETATM 1046 CG PRO A 1 26.811 19.286 12.495 1.00 -0.04 C HETATM 1047 CD1 PRO A 1 26.996 19.526 10.995 1.00 -0.06 C HETATM 1048 H42 PRO A 1 26.118 19.146 10.452 1.00 0.02 H HETATM 1049 H43 PRO A 1 27.898 19.000 10.648 1.00 0.02 H HETATM 1050 H44 PRO A 1 27.105 20.604 10.807 1.00 0.02 H HETATM 1051 CD2 PRO A 1 26.662 17.785 12.756 1.00 -0.06 C HETATM 1052 H45 PRO A 1 26.529 17.612 13.834 1.00 0.02 H HETATM 1053 H46 PRO A 1 27.565 17.261 12.409 1.00 0.02 H HETATM 1054 H47 PRO A 1 25.785 17.404 12.212 1.00 0.02 H HETATM 1055 H41 PRO A 1 25.909 19.811 12.842 1.00 0.03 H HETATM 1056 H39 PRO A 1 28.848 19.080 13.186 1.00 0.03 H HETATM 1057 H40 PRO A 1 28.356 20.765 12.804 1.00 0.03 H HETATM 1058 H38 PRO A 1 26.642 19.678 14.903 1.00 0.08 H HETATM 1059 H37 PRO A 1 26.961 21.957 15.454 1.00 0.19 H HETATM 1060 CB PRO A 1 28.446 23.878 16.558 1.00 -0.01 C HETATM 1061 CG PRO A 1 27.156 24.738 16.576 1.00 -0.03 C HETATM 1062 CD PRO A 1 26.765 25.025 15.118 1.00 0.04 C HETATM 1063 H35 PRO A 1 25.776 24.601 14.891 1.00 0.05 H HETATM 1064 H36 PRO A 1 26.752 26.108 14.926 1.00 0.05 H HETATM 1065 H33 PRO A 1 27.343 25.683 17.107 1.00 0.03 H HETATM 1066 H34 PRO A 1 26.347 24.189 17.080 1.00 0.03 H HETATM 1067 H31 PRO A 1 29.254 24.404 17.088 1.00 0.03 H HETATM 1068 H32 PRO A 1 28.258 22.910 17.045 1.00 0.03 H HETATM 1069 H30 PRO A 1 29.837 24.074 14.887 1.00 0.08 H HETATM 1070 CB PRO A 1 25.674 24.201 11.753 1.00 -0.01 C HETATM 1071 CG PRO A 1 24.399 24.946 11.351 1.00 -0.02 C HETATM 1072 CD PRO A 1 23.936 25.831 12.509 1.00 0.06 C HETATM 1073 NE PRO A 1 24.531 27.189 12.363 1.00 -0.27 N HETATM 1074 CZ PRO A 1 24.895 27.859 13.422 1.00 0.29 C HETATM 1075 NH1 PRO A 1 23.996 28.283 14.268 1.00 -0.28 N HETATM 1076 H26 PRO A 1 24.284 28.812 15.104 1.00 0.26 H HETATM 1077 H27 PRO A 1 22.998 28.089 14.100 1.00 0.26 H HETATM 1078 NH2 PRO A 1 26.159 28.105 13.637 1.00 -0.28 N HETATM 1079 H28 PRO A 1 26.869 27.771 12.970 1.00 0.26 H HETATM 1080 H29 PRO A 1 26.446 28.633 14.473 1.00 0.26 H HETATM 1081 H25 PRO A 1 24.655 27.599 11.426 1.00 0.26 H HETATM 1082 H23 PRO A 1 24.261 25.388 13.462 1.00 0.07 H HETATM 1083 H24 PRO A 1 22.839 25.908 12.496 1.00 0.07 H HETATM 1084 H21 PRO A 1 23.611 24.218 11.108 1.00 0.03 H HETATM 1085 H22 PRO A 1 24.603 25.573 10.470 1.00 0.03 H HETATM 1086 H19 PRO A 1 25.428 23.430 12.498 1.00 0.03 H HETATM 1087 H20 PRO A 1 26.115 23.724 10.865 1.00 0.03 H HETATM 1088 H18 PRO A 1 26.177 25.807 13.111 1.00 0.08 H HETATM 1089 H17 PRO A 1 26.756 26.113 10.392 1.00 0.19 H HETATM 1090 CB PRO A 1 30.296 27.364 10.064 1.00 -0.01 C HETATM 1091 CG PRO A 1 31.077 28.680 10.317 1.00 -0.03 C HETATM 1092 CD PRO A 1 30.063 29.750 10.750 1.00 0.04 C HETATM 1093 H15 PRO A 1 30.294 30.117 11.761 1.00 0.05 H HETATM 1094 H16 PRO A 1 30.064 30.594 10.044 1.00 0.05 H HETATM 1095 H13 PRO A 1 31.585 28.997 9.394 1.00 0.03 H HETATM 1096 H14 PRO A 1 31.822 28.527 11.112 1.00 0.03 H HETATM 1097 H11 PRO A 1 30.429 27.044 9.020 1.00 0.03 H HETATM 1098 H12 PRO A 1 30.662 26.576 10.738 1.00 0.03 H HETATM 1099 H10 PRO A 1 28.207 27.462 9.440 1.00 0.08 H HETATM 1100 CB PRO A 1 28.431 31.261 12.798 1.00 0.01 C HETATM 1101 CG PRO A 1 27.442 31.977 13.708 1.00 -0.01 C HETATM 1102 CD PRO A 1 26.200 32.292 12.874 1.00 -0.03 C HETATM 1103 H8 PRO A 1 25.319 31.808 13.320 1.00 0.08 H HETATM 1104 H9 PRO A 1 26.042 33.380 12.838 1.00 0.08 H HETATM 1105 H6 PRO A 1 27.887 32.909 14.087 1.00 0.03 H HETATM 1106 H7 PRO A 1 27.172 31.328 14.554 1.00 0.03 H HETATM 1107 H4 PRO A 1 29.362 31.842 12.723 1.00 0.03 H HETATM 1108 H5 PRO A 1 28.654 30.261 13.198 1.00 0.03 H HETATM 1109 H3 PRO A 1 28.390 31.660 10.671 1.00 0.11 H HETATM 1110 H1 PRO A 1 25.717 31.078 11.275 1.00 0.20 H HETATM 1111 H2 PRO A 1 26.363 32.524 10.828 1.00 0.20 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 905 906 1102 1110 1111 CONECT 906 905 907 1100 1109 CONECT 907 906 908 909 CONECT 908 907 CONECT 909 907 910 1092 CONECT 910 909 911 1090 1099 CONECT 911 910 912 913 CONECT 912 911 CONECT 913 911 914 1089 CONECT 914 913 915 1070 1088 CONECT 915 914 916 917 CONECT 916 915 CONECT 917 915 918 1062 CONECT 918 917 919 1060 1069 CONECT 919 918 920 921 CONECT 920 919 CONECT 921 919 922 1059 CONECT 922 921 923 1045 1058 CONECT 923 922 924 925 CONECT 924 923 CONECT 925 923 926 1037 CONECT 926 925 927 1035 1044 CONECT 927 926 928 929 CONECT 928 927 CONECT 929 927 930 1034 CONECT 930 929 931 1023 1033 CONECT 931 930 932 933 CONECT 932 931 CONECT 933 931 934 1022 CONECT 934 933 935 1017 1021 CONECT 935 934 936 937 CONECT 936 935 CONECT 937 935 938 1009 CONECT 938 937 939 1007 1016 CONECT 939 938 940 941 CONECT 940 939 CONECT 941 939 942 1006 CONECT 942 941 943 1004 1005 CONECT 943 942 944 945 CONECT 944 943 CONECT 945 943 946 1003 CONECT 946 945 947 997 1002 CONECT 947 946 948 949 CONECT 948 947 CONECT 949 947 950 996 CONECT 950 949 951 990 995 CONECT 951 950 952 953 CONECT 952 951 CONECT 953 951 954 989 CONECT 954 953 955 972 988 CONECT 955 954 956 957 CONECT 956 955 CONECT 957 955 958 971 CONECT 958 957 959 962 970 CONECT 959 958 960 961 CONECT 960 959 CONECT 961 959 CONECT 962 958 963 965 969 CONECT 963 962 964 CONECT 964 963 CONECT 965 962 966 967 968 CONECT 966 965 CONECT 967 965 CONECT 968 965 CONECT 969 962 CONECT 970 958 CONECT 971 957 CONECT 972 954 973 986 987 CONECT 973 972 974 984 985 CONECT 974 973 975 982 983 CONECT 975 974 976 980 981 CONECT 976 975 977 978 979 CONECT 977 976 CONECT 978 976 CONECT 979 976 CONECT 980 975 CONECT 981 975 CONECT 982 974 CONECT 983 974 CONECT 984 973 CONECT 985 973 CONECT 986 972 CONECT 987 972 CONECT 988 954 CONECT 989 953 CONECT 990 950 991 993 994 CONECT 991 990 992 CONECT 992 991 CONECT 993 990 CONECT 994 990 CONECT 995 950 CONECT 996 949 CONECT 997 946 998 1000 1001 CONECT 998 997 999 CONECT 999 998 CONECT 1000 997 CONECT 1001 997 CONECT 1002 946 CONECT 1003 945 CONECT 1004 942 CONECT 1005 942 CONECT 1006 941 CONECT 1007 938 1008 1014 1015 CONECT 1008 1007 1009 1012 1013 CONECT 1009 937 1008 1010 1011 CONECT 1010 1009 CONECT 1011 1009 CONECT 1012 1008 CONECT 1013 1008 CONECT 1014 1007 CONECT 1015 1007 CONECT 1016 938 CONECT 1017 934 1018 1019 1020 CONECT 1018 1017 CONECT 1019 1017 CONECT 1020 1017 CONECT 1021 934 CONECT 1022 933 CONECT 1023 930 1024 1028 1032 CONECT 1024 1023 1025 1026 1027 CONECT 1025 1024 CONECT 1026 1024 CONECT 1027 1024 CONECT 1028 1023 1029 1030 1031 CONECT 1029 1028 CONECT 1030 1028 CONECT 1031 1028 CONECT 1032 1023 CONECT 1033 930 CONECT 1034 929 CONECT 1035 926 1036 1042 1043 CONECT 1036 1035 1037 1040 1041 CONECT 1037 925 1036 1038 1039 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1036 CONECT 1041 1036 CONECT 1042 1035 CONECT 1043 1035 CONECT 1044 926 CONECT 1045 922 1046 1056 1057 CONECT 1046 1045 1047 1051 1055 CONECT 1047 1046 1048 1049 1050 CONECT 1048 1047 CONECT 1049 1047 CONECT 1050 1047 CONECT 1051 1046 1052 1053 1054 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1051 CONECT 1055 1046 CONECT 1056 1045 CONECT 1057 1045 CONECT 1058 922 CONECT 1059 921 CONECT 1060 918 1061 1067 1068 CONECT 1061 1060 1062 1065 1066 CONECT 1062 917 1061 1063 1064 CONECT 1063 1062 CONECT 1064 1062 CONECT 1065 1061 CONECT 1066 1061 CONECT 1067 1060 CONECT 1068 1060 CONECT 1069 918 CONECT 1070 914 1071 1086 1087 CONECT 1071 1070 1072 1084 1085 CONECT 1072 1071 1073 1082 1083 CONECT 1073 1072 1074 1081 CONECT 1074 1073 1075 1078 CONECT 1075 1074 1076 1077 CONECT 1076 1075 CONECT 1077 1075 CONECT 1078 1074 1079 1080 CONECT 1079 1078 CONECT 1080 1078 CONECT 1081 1073 CONECT 1082 1072 CONECT 1083 1072 CONECT 1084 1071 CONECT 1085 1071 CONECT 1086 1070 CONECT 1087 1070 CONECT 1088 914 CONECT 1089 913 CONECT 1090 910 1091 1097 1098 CONECT 1091 1090 1092 1095 1096 CONECT 1092 909 1091 1093 1094 CONECT 1093 1092 CONECT 1094 1092 CONECT 1095 1091 CONECT 1096 1091 CONECT 1097 1090 CONECT 1098 1090 CONECT 1099 910 CONECT 1100 906 1101 1107 1108 CONECT 1101 1100 1102 1105 1106 CONECT 1102 905 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 CONECT 1105 1101 CONECT 1106 1101 CONECT 1107 1100 CONECT 1108 1100 CONECT 1109 906 CONECT 1110 905 CONECT 1111 905 MASTER 0 0 0 0 0 0 0 0 1110 1 211 5 END
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Entry Information
PDB ID
1azg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fny(SH3 domain, 82 - 148)
Ligand Name
14-mer
EC.Number
E.C.2.7.1.112
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=16uM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
(1996) Biochemistry Vol. 35: pp. 15646-15653
Ligand Properties
Formula
C
6
3
H
1
0
9
N
1
8
O
1
8
Molecular Weight
1406.650
Exact Mass
1405.820
No. of atoms
208
No. of bonds
212
Polar Surface Area
551.39
LOGP Value
-3.72 (
Computed with XLOGP3
)
-4.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 5
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)CCCC[NH3+])CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)CCC[NH+]=C(N)N)CC(C)C)C
InChI String
InChI=1S/C63H106N18O18/c1-33(2)29-40(74-55(91)45-20-13-27-80(45)60(96)39(17-10-24-68-63(65)66)73-54(90)44-19-12-26-79(44)59(95)38-16-9-23-67-38)61(97)81-28-14-21-46(81)56(92)76-48(34(3)4)57(93)70-35(5)58(94)78-25-11-18-43(78)53(89)69-30-47(85)71-41(31-82)51(87)75-42(32-83)52(88)72-37(15-7-8-22-64)50(86)77-49(36(6)84)62(98)99/h33-46,48-49,67,82-84H,7-32,64H2,1-6H3,(H,69,89)(H,70,93)(H,71,85)(H,72,88)(H,73,90)(H,74,91)(H,75,87)(H,76,92)(H,77,86)(H,98,99)(H4,65,66,68)/p+3/t35-,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-,49-/m0/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P27986
P06241
Entrez Gene ID
NCBI Entrez Gene ID:
5295
2534
ASD
Information of known allosteric effects of PDB entries
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