Browse entries in the PDBbind-CN Database
HEADER 3NY3_COMPLEX COMPND 3NY3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 70 LEU CYS GLY ARG VAL PHE LYS VAL GLY GLU PRO THR TYR SEQRES 2 A 70 SER CYS ARG ASP CYS ALA VAL ASP PRO THR CYS VAL LEU SEQRES 3 A 70 CYS MET GLU CYS PHE LEU GLY SER ILE HIS ARG ASP HIS SEQRES 4 A 70 ARG TYR ARG MET THR THR SER GLY GLY GLY GLY PHE CYS SEQRES 5 A 70 ASP CYS GLY ASP THR GLU ALA TRP LYS GLU GLY PRO TYR SEQRES 6 A 70 CYS GLN LYS HIS GLU HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ARG A 107 77 ATOM 1 N LEU A 98 5.589 -0.379 21.333 1.00 25.21 N ATOM 2 CA LEU A 98 5.840 -1.092 20.054 1.00 23.71 C ATOM 3 C LEU A 98 7.136 -1.879 20.040 1.00 21.94 C ATOM 4 O LEU A 98 7.944 -1.818 20.976 1.00 22.38 O ATOM 5 CB LEU A 98 5.821 -0.125 18.890 1.00 25.18 C ATOM 6 CG LEU A 98 6.736 1.073 19.016 1.00 25.68 C ATOM 7 CD1 LEU A 98 7.961 0.931 18.147 1.00 28.28 C ATOM 8 CD2 LEU A 98 5.912 2.262 18.617 1.00 29.08 C ATOM 9 HA LEU A 98 5.030 -1.814 19.955 1.00 0.00 H ATOM 10 HB2 LEU A 98 6.110 -0.674 17.994 1.00 0.00 H ATOM 11 HB3 LEU A 98 4.801 0.243 18.777 1.00 0.00 H ATOM 12 HG LEU A 98 7.112 1.176 20.034 1.00 0.00 H ATOM 13 HD21 LEU A 98 5.566 2.135 17.591 1.00 0.00 H ATOM 14 HD22 LEU A 98 5.054 2.348 19.283 1.00 0.00 H ATOM 15 HD23 LEU A 98 6.520 3.164 18.687 1.00 0.00 H ATOM 16 HD11 LEU A 98 8.515 0.041 18.445 1.00 0.00 H ATOM 17 HD12 LEU A 98 7.657 0.838 17.104 1.00 0.00 H ATOM 18 HD13 LEU A 98 8.593 1.811 18.265 1.00 0.00 H ATOM 19 HN3 LEU A 98 6.362 0.293 21.511 1.00 0.00 H ATOM 20 HN2 LEU A 98 5.542 -1.069 22.110 1.00 0.00 H ATOM 21 HN1 LEU A 98 4.688 0.136 21.270 1.00 0.00 H ATOM 22 N CYS A 99 7.327 -2.604 18.944 1.00 19.46 N ATOM 23 CA CYS A 99 8.474 -3.473 18.772 1.00 18.29 C ATOM 24 C CYS A 99 9.805 -2.744 18.935 1.00 17.67 C ATOM 25 O CYS A 99 10.539 -2.974 19.911 1.00 17.77 O ATOM 26 CB CYS A 99 8.429 -4.112 17.396 1.00 17.40 C ATOM 27 SG CYS A 99 9.826 -5.203 17.205 1.00 15.18 S ATOM 28 HA CYS A 99 8.415 -4.228 19.556 1.00 0.00 H ATOM 29 HB2 CYS A 99 8.467 -3.335 16.632 1.00 0.00 H ATOM 30 HB3 CYS A 99 7.505 -4.681 17.289 1.00 0.00 H ATOM 31 HG CYS A 99 9.786 -5.784 15.954 1.00 0.00 H ATOM 32 H CYS A 99 6.625 -2.546 18.178 1.00 0.00 H ATOM 33 N GLY A 100 10.102 -1.880 17.961 1.00 17.11 N ATOM 34 CA GLY A 100 11.278 -1.009 17.988 1.00 17.26 C ATOM 35 C GLY A 100 12.592 -1.741 17.826 1.00 17.09 C ATOM 36 O GLY A 100 13.648 -1.119 17.910 1.00 18.17 O ATOM 37 HA3 GLY A 100 11.294 -0.484 18.943 1.00 0.00 H ATOM 38 HA2 GLY A 100 11.187 -0.285 17.178 1.00 0.00 H ATOM 39 H GLY A 100 9.465 -1.823 17.141 1.00 0.00 H ATOM 40 N ARG A 101 12.527 -3.053 17.583 1.00 16.53 N ATOM 41 CA ARG A 101 13.748 -3.894 17.596 1.00 16.63 C ATOM 42 C ARG A 101 14.845 -3.362 16.663 1.00 15.83 C ATOM 43 O ARG A 101 14.590 -3.086 15.497 1.00 15.83 O ATOM 44 CB ARG A 101 13.403 -5.351 17.245 1.00 16.94 C ATOM 45 CG ARG A 101 14.610 -6.255 17.198 1.00 20.15 C ATOM 46 CD ARG A 101 14.418 -7.546 16.413 1.00 24.84 C ATOM 47 NE ARG A 101 13.414 -8.427 16.997 1.00 25.29 N ATOM 48 CZ ARG A 101 13.432 -9.759 16.913 1.00 25.93 C ATOM 49 NH1 ARG A 101 14.419 -10.394 16.279 1.00 25.71 N ATOM 50 NH2 ARG A 101 12.459 -10.462 17.477 1.00 27.60 N ATOM 51 HA ARG A 101 14.148 -3.854 18.609 1.00 0.00 H ATOM 52 HB2 ARG A 101 12.712 -5.734 17.996 1.00 0.00 H ATOM 53 HB3 ARG A 101 12.920 -5.367 16.268 1.00 0.00 H ATOM 54 HG2 ARG A 101 15.430 -5.701 16.742 1.00 0.00 H ATOM 55 HG3 ARG A 101 14.876 -6.518 18.222 1.00 0.00 H ATOM 56 HD2 ARG A 101 15.369 -8.077 16.380 1.00 0.00 H ATOM 57 HD3 ARG A 101 14.110 -7.293 15.399 1.00 0.00 H ATOM 58 HE ARG A 101 12.628 -7.986 17.516 1.00 0.00 H ATOM 59 HH12 ARG A 101 14.418 -11.432 16.223 1.00 0.00 H ATOM 60 HH11 ARG A 101 15.190 -9.851 15.841 1.00 0.00 H ATOM 61 HH22 ARG A 101 12.465 -11.500 17.416 1.00 0.00 H ATOM 62 HH21 ARG A 101 11.690 -9.975 17.980 1.00 0.00 H ATOM 63 H ARG A 101 11.606 -3.491 17.382 1.00 0.00 H ATOM 64 N VAL A 102 16.062 -3.244 17.191 1.00 16.69 N ATOM 65 CA VAL A 102 17.231 -2.887 16.392 1.00 16.83 C ATOM 66 C VAL A 102 17.836 -4.156 15.788 1.00 16.19 C ATOM 67 O VAL A 102 18.110 -5.117 16.513 1.00 17.96 O ATOM 68 CB VAL A 102 18.284 -2.143 17.234 1.00 17.98 C ATOM 69 CG1 VAL A 102 19.532 -1.839 16.397 1.00 19.94 C ATOM 70 CG2 VAL A 102 17.698 -0.840 17.818 1.00 19.57 C ATOM 71 HA VAL A 102 16.914 -2.214 15.595 1.00 0.00 H ATOM 72 HB VAL A 102 18.573 -2.791 18.062 1.00 0.00 H ATOM 73 HG11 VAL A 102 19.964 -2.773 16.038 1.00 0.00 H ATOM 74 HG12 VAL A 102 19.255 -1.215 15.547 1.00 0.00 H ATOM 75 HG13 VAL A 102 20.262 -1.313 17.013 1.00 0.00 H ATOM 76 HG21 VAL A 102 17.376 -0.191 17.004 1.00 0.00 H ATOM 77 HG22 VAL A 102 16.845 -1.079 18.453 1.00 0.00 H ATOM 78 HG23 VAL A 102 18.461 -0.333 18.409 1.00 0.00 H ATOM 79 H VAL A 102 16.184 -3.412 18.210 1.00 0.00 H ATOM 80 N PHE A 103 18.039 -4.157 14.475 1.00 15.64 N ATOM 81 CA PHE A 103 18.559 -5.355 13.799 1.00 15.76 C ATOM 82 C PHE A 103 20.005 -5.618 14.124 1.00 16.01 C ATOM 83 O PHE A 103 20.807 -4.687 14.241 1.00 16.96 O ATOM 84 CB PHE A 103 18.403 -5.229 12.289 1.00 15.87 C ATOM 85 CG PHE A 103 16.978 -5.121 11.859 1.00 17.11 C ATOM 86 CD1 PHE A 103 16.086 -6.152 12.111 1.00 20.52 C ATOM 87 CD2 PHE A 103 16.524 -3.966 11.230 1.00 16.90 C ATOM 88 CE1 PHE A 103 14.754 -6.044 11.711 1.00 21.56 C ATOM 89 CE2 PHE A 103 15.200 -3.851 10.830 1.00 19.30 C ATOM 90 CZ PHE A 103 14.319 -4.891 11.074 1.00 20.31 C ATOM 91 HA PHE A 103 17.971 -6.196 14.167 1.00 0.00 H ATOM 92 HB2 PHE A 103 18.935 -4.337 11.957 1.00 0.00 H ATOM 93 HB3 PHE A 103 18.843 -6.109 11.819 1.00 0.00 H ATOM 94 HD2 PHE A 103 17.215 -3.143 11.049 1.00 0.00 H ATOM 95 HE2 PHE A 103 14.856 -2.947 10.327 1.00 0.00 H ATOM 96 HZ PHE A 103 13.278 -4.803 10.764 1.00 0.00 H ATOM 97 HE1 PHE A 103 14.058 -6.862 11.898 1.00 0.00 H ATOM 98 HD1 PHE A 103 16.427 -7.051 12.624 1.00 0.00 H ATOM 99 H PHE A 103 17.828 -3.303 13.920 1.00 0.00 H ATOM 100 N LYS A 104 20.329 -6.898 14.254 1.00 15.95 N ATOM 101 CA LYS A 104 21.709 -7.335 14.465 1.00 17.16 C ATOM 102 C LYS A 104 22.328 -7.880 13.188 1.00 17.52 C ATOM 103 O LYS A 104 21.632 -8.237 12.244 1.00 17.71 O ATOM 104 CB LYS A 104 21.767 -8.369 15.593 1.00 18.72 C ATOM 105 CG LYS A 104 21.318 -7.808 16.927 1.00 21.36 C ATOM 106 CD LYS A 104 21.350 -8.883 17.982 1.00 26.22 C ATOM 107 CE LYS A 104 21.005 -8.319 19.340 1.00 29.29 C ATOM 108 NZ LYS A 104 20.956 -9.448 20.306 1.00 33.76 N ATOM 109 HA LYS A 104 22.298 -6.466 14.758 1.00 0.00 H ATOM 110 HB2 LYS A 104 21.120 -9.207 15.332 1.00 0.00 H ATOM 111 HB3 LYS A 104 22.794 -8.721 15.691 1.00 0.00 H ATOM 112 HG2 LYS A 104 21.985 -6.997 17.219 1.00 0.00 H ATOM 113 HG3 LYS A 104 20.302 -7.426 16.833 1.00 0.00 H ATOM 114 HD2 LYS A 104 20.628 -9.658 17.724 1.00 0.00 H ATOM 115 HD3 LYS A 104 22.349 -9.317 18.019 1.00 0.00 H ATOM 116 HE2 LYS A 104 20.035 -7.823 19.300 1.00 0.00 H ATOM 117 HE3 LYS A 104 21.766 -7.601 19.647 1.00 0.00 H ATOM 118 HZ1 LYS A 104 20.231 -10.130 20.004 1.00 0.00 H ATOM 119 HZ2 LYS A 104 21.884 -9.917 20.336 1.00 0.00 H ATOM 120 HZ3 LYS A 104 20.720 -9.084 21.251 1.00 0.00 H ATOM 121 H LYS A 104 19.577 -7.615 14.204 1.00 0.00 H ATOM 122 N VAL A 105 23.656 -7.919 13.158 1.00 17.99 N ATOM 123 CA VAL A 105 24.395 -8.419 12.009 1.00 19.29 C ATOM 124 C VAL A 105 23.915 -9.825 11.666 1.00 19.62 C ATOM 125 O VAL A 105 23.883 -10.704 12.535 1.00 20.70 O ATOM 126 CB VAL A 105 25.920 -8.404 12.308 1.00 20.38 C ATOM 127 CG1 VAL A 105 26.712 -9.040 11.172 1.00 22.06 C ATOM 128 CG2 VAL A 105 26.398 -6.964 12.588 1.00 22.58 C ATOM 129 HA VAL A 105 24.215 -7.773 11.149 1.00 0.00 H ATOM 130 HB VAL A 105 26.099 -9.002 13.201 1.00 0.00 H ATOM 131 HG11 VAL A 105 26.393 -10.074 11.043 1.00 0.00 H ATOM 132 HG12 VAL A 105 26.533 -8.486 10.251 1.00 0.00 H ATOM 133 HG13 VAL A 105 27.775 -9.014 11.412 1.00 0.00 H ATOM 134 HG21 VAL A 105 26.200 -6.341 11.716 1.00 0.00 H ATOM 135 HG22 VAL A 105 25.862 -6.566 13.450 1.00 0.00 H ATOM 136 HG23 VAL A 105 27.468 -6.972 12.795 1.00 0.00 H ATOM 137 H VAL A 105 24.186 -7.580 13.986 1.00 0.00 H ATOM 138 N GLY A 106 23.499 -10.020 10.415 1.00 20.00 N ATOM 139 CA GLY A 106 23.118 -11.352 9.934 1.00 21.81 C ATOM 140 C GLY A 106 21.638 -11.680 10.093 1.00 22.24 C ATOM 141 O GLY A 106 21.173 -12.711 9.603 1.00 23.97 O ATOM 142 HA3 GLY A 106 23.693 -12.093 10.490 1.00 0.00 H ATOM 143 HA2 GLY A 106 23.370 -11.417 8.876 1.00 0.00 H ATOM 144 H GLY A 106 23.443 -9.210 9.765 1.00 0.00 H ATOM 145 N GLU A 107 20.903 -10.802 10.771 1.00 21.08 N ATOM 146 CA GLU A 107 19.489 -11.038 11.080 1.00 21.87 C ATOM 147 C GLU A 107 18.617 -10.869 9.828 1.00 21.29 C ATOM 148 O GLU A 107 18.816 -9.922 9.058 1.00 20.04 O ATOM 149 CB GLU A 107 19.049 -10.061 12.178 1.00 21.18 C ATOM 150 CG GLU A 107 17.622 -10.186 12.632 1.00 23.47 C ATOM 151 CD GLU A 107 17.308 -9.312 13.837 1.00 22.44 C ATOM 152 OE1 GLU A 107 16.110 -8.981 14.049 1.00 25.95 O ATOM 153 OE2 GLU A 107 18.240 -8.965 14.584 1.00 21.10 O ATOM 154 HA GLU A 107 19.366 -12.063 11.431 1.00 0.00 H ATOM 155 HB2 GLU A 107 19.691 -10.220 13.044 1.00 0.00 H ATOM 156 HB3 GLU A 107 19.193 -9.048 11.802 1.00 0.00 H ATOM 157 HG2 GLU A 107 16.968 -9.895 11.810 1.00 0.00 H ATOM 158 HG3 GLU A 107 17.430 -11.226 12.896 1.00 0.00 H ATOM 159 H GLU A 107 21.347 -9.918 11.093 1.00 0.00 H ATOM 160 N PRO A 108 17.663 -11.795 9.604 1.00 22.84 N ATOM 161 CA PRO A 108 16.747 -11.635 8.477 1.00 23.86 C ATOM 162 C PRO A 108 15.821 -10.468 8.736 1.00 23.00 C ATOM 163 O PRO A 108 15.359 -10.298 9.861 1.00 22.35 O ATOM 164 CB PRO A 108 15.932 -12.941 8.492 1.00 26.38 C ATOM 165 CG PRO A 108 16.752 -13.899 9.311 1.00 27.00 C ATOM 166 CD PRO A 108 17.380 -13.033 10.352 1.00 24.75 C ATOM 167 HA PRO A 108 17.258 -11.450 7.532 1.00 0.00 H ATOM 168 HD3 PRO A 108 16.693 -12.847 11.178 1.00 0.00 H ATOM 169 HD2 PRO A 108 18.297 -13.480 10.737 1.00 0.00 H ATOM 170 HG3 PRO A 108 17.512 -14.382 8.697 1.00 0.00 H ATOM 171 HG2 PRO A 108 16.119 -14.659 9.769 1.00 0.00 H ATOM 172 HB2 PRO A 108 14.957 -12.780 8.952 1.00 0.00 H ATOM 173 HB3 PRO A 108 15.796 -13.320 7.479 1.00 0.00 H ATOM 174 N THR A 109 15.589 -9.657 7.712 1.00 21.84 N ATOM 175 CA THR A 109 14.591 -8.591 7.792 1.00 22.02 C ATOM 176 C THR A 109 13.687 -8.691 6.579 1.00 20.91 C ATOM 177 O THR A 109 14.099 -9.193 5.528 1.00 22.07 O ATOM 178 CB THR A 109 15.220 -7.189 7.889 1.00 22.89 C ATOM 179 OG1 THR A 109 15.740 -6.784 6.618 1.00 26.27 O ATOM 180 CG2 THR A 109 16.331 -7.173 8.923 1.00 22.72 C ATOM 181 HA THR A 109 14.018 -8.725 8.709 1.00 0.00 H ATOM 182 HB THR A 109 14.442 -6.490 8.194 1.00 0.00 H ATOM 183 HG1 THR A 109 16.432 -7.428 6.326 1.00 0.00 H ATOM 184 HG23 THR A 109 15.931 -7.482 9.889 1.00 0.00 H ATOM 185 HG21 THR A 109 17.119 -7.861 8.618 1.00 0.00 H ATOM 186 HG22 THR A 109 16.737 -6.165 9.002 1.00 0.00 H ATOM 187 H THR A 109 16.129 -9.782 6.832 1.00 0.00 H ATOM 188 N TYR A 110 12.447 -8.245 6.743 1.00 19.07 N ATOM 189 CA TYR A 110 11.418 -8.467 5.744 1.00 18.75 C ATOM 190 C TYR A 110 10.763 -7.173 5.356 1.00 18.55 C ATOM 191 O TYR A 110 10.470 -6.338 6.204 1.00 19.51 O ATOM 192 CB TYR A 110 10.352 -9.415 6.298 1.00 18.25 C ATOM 193 CG TYR A 110 10.896 -10.800 6.545 1.00 18.49 C ATOM 194 CD1 TYR A 110 11.497 -11.131 7.757 1.00 19.53 C ATOM 195 CD2 TYR A 110 10.819 -11.776 5.555 1.00 17.67 C ATOM 196 CE1 TYR A 110 12.017 -12.405 7.974 1.00 20.29 C ATOM 197 CE2 TYR A 110 11.326 -13.052 5.753 1.00 20.73 C ATOM 198 CZ TYR A 110 11.927 -13.360 6.962 1.00 21.29 C ATOM 199 OH TYR A 110 12.429 -14.635 7.154 1.00 23.86 O ATOM 200 HA TYR A 110 11.889 -8.906 4.864 1.00 0.00 H ATOM 201 HB3 TYR A 110 9.534 -9.481 5.581 1.00 0.00 H ATOM 202 HB2 TYR A 110 9.977 -9.012 7.239 1.00 0.00 H ATOM 203 HD2 TYR A 110 10.349 -11.532 4.602 1.00 0.00 H ATOM 204 HE2 TYR A 110 11.252 -13.803 4.967 1.00 0.00 H ATOM 205 HE1 TYR A 110 12.489 -12.653 8.925 1.00 0.00 H ATOM 206 HD1 TYR A 110 11.561 -10.383 8.547 1.00 0.00 H ATOM 207 HH TYR A 110 12.824 -14.700 8.059 1.00 0.00 H ATOM 208 H TYR A 110 12.207 -7.723 7.610 1.00 0.00 H ATOM 209 N SER A 111 10.526 -7.008 4.064 1.00 18.04 N ATOM 210 CA SER A 111 9.667 -5.932 3.617 1.00 17.67 C ATOM 211 C SER A 111 8.527 -6.564 2.840 1.00 17.55 C ATOM 212 O SER A 111 8.551 -7.760 2.547 1.00 18.86 O ATOM 213 CB SER A 111 10.434 -4.925 2.770 1.00 18.40 C ATOM 214 OG SER A 111 9.634 -3.762 2.550 1.00 18.55 O ATOM 215 HA SER A 111 9.279 -5.373 4.469 1.00 0.00 H ATOM 216 HB2 SER A 111 10.686 -5.377 1.811 1.00 0.00 H ATOM 217 HB3 SER A 111 11.350 -4.641 3.288 1.00 0.00 H ATOM 218 HG SER A 111 9.406 -3.350 3.421 1.00 0.00 H ATOM 219 H SER A 111 10.957 -7.652 3.370 1.00 0.00 H ATOM 220 N CYS A 112 7.520 -5.765 2.533 1.00 16.68 N ATOM 221 CA CYS A 112 6.419 -6.248 1.720 1.00 15.99 C ATOM 222 C CYS A 112 6.352 -5.407 0.464 1.00 16.74 C ATOM 223 O CYS A 112 6.164 -4.181 0.541 1.00 16.55 O ATOM 224 CB CYS A 112 5.107 -6.142 2.474 1.00 16.21 C ATOM 225 SG CYS A 112 3.821 -6.782 1.419 1.00 16.70 S ATOM 226 HA CYS A 112 6.584 -7.296 1.472 1.00 0.00 H ATOM 227 HB2 CYS A 112 4.902 -5.100 2.719 1.00 0.00 H ATOM 228 HB3 CYS A 112 5.159 -6.726 3.393 1.00 0.00 H ATOM 229 HG CYS A 112 2.609 -6.702 2.074 1.00 0.00 H ATOM 230 H CYS A 112 7.516 -4.783 2.876 1.00 0.00 H ATOM 231 N ARG A 113 6.495 -6.054 -0.695 1.00 16.71 N ATOM 232 CA ARG A 113 6.487 -5.301 -1.957 1.00 18.00 C ATOM 233 C ARG A 113 5.124 -4.682 -2.246 1.00 18.09 C ATOM 234 O ARG A 113 5.019 -3.681 -2.964 1.00 19.07 O ATOM 235 CB ARG A 113 6.945 -6.178 -3.122 1.00 19.06 C ATOM 236 CG ARG A 113 8.377 -6.686 -2.958 1.00 19.91 C ATOM 237 CD ARG A 113 8.663 -7.817 -3.922 1.00 20.53 C ATOM 238 NE ARG A 113 8.544 -7.378 -5.315 1.00 21.02 N ATOM 239 CZ ARG A 113 8.435 -8.199 -6.352 1.00 22.36 C ATOM 240 NH1 ARG A 113 8.419 -9.517 -6.163 1.00 21.26 N ATOM 241 NH2 ARG A 113 8.323 -7.695 -7.576 1.00 22.57 N ATOM 242 HA ARG A 113 7.197 -4.481 -1.845 1.00 0.00 H ATOM 243 HB2 ARG A 113 6.277 -7.037 -3.195 1.00 0.00 H ATOM 244 HB3 ARG A 113 6.886 -5.595 -4.041 1.00 0.00 H ATOM 245 HG2 ARG A 113 9.071 -5.868 -3.152 1.00 0.00 H ATOM 246 HG3 ARG A 113 8.514 -7.043 -1.937 1.00 0.00 H ATOM 247 HD2 ARG A 113 7.953 -8.624 -3.743 1.00 0.00 H ATOM 248 HD3 ARG A 113 9.676 -8.182 -3.750 1.00 0.00 H ATOM 249 HE ARG A 113 8.545 -6.355 -5.503 1.00 0.00 H ATOM 250 HH12 ARG A 113 8.333 -10.158 -6.977 1.00 0.00 H ATOM 251 HH11 ARG A 113 8.492 -9.905 -5.201 1.00 0.00 H ATOM 252 HH22 ARG A 113 8.237 -8.331 -8.394 1.00 0.00 H ATOM 253 HH21 ARG A 113 8.321 -6.664 -7.716 1.00 0.00 H ATOM 254 H ARG A 113 6.612 -7.087 -0.705 1.00 0.00 H ATOM 255 N ASP A 114 4.084 -5.293 -1.684 1.00 17.75 N ATOM 256 CA ASP A 114 2.728 -4.810 -1.877 1.00 18.54 C ATOM 257 C ASP A 114 2.385 -3.602 -0.986 1.00 18.36 C ATOM 258 O ASP A 114 1.650 -2.699 -1.419 1.00 20.57 O ATOM 259 CB ASP A 114 1.735 -5.947 -1.642 1.00 18.54 C ATOM 260 CG ASP A 114 1.875 -7.066 -2.659 1.00 21.40 C ATOM 261 OD1 ASP A 114 1.837 -8.243 -2.258 1.00 21.40 O ATOM 262 OD2 ASP A 114 1.988 -6.764 -3.860 1.00 21.78 O ATOM 263 HA ASP A 114 2.655 -4.462 -2.907 1.00 0.00 H ATOM 264 HB2 ASP A 114 1.903 -6.357 -0.646 1.00 0.00 H ATOM 265 HB3 ASP A 114 0.724 -5.545 -1.702 1.00 0.00 H ATOM 266 H ASP A 114 4.246 -6.134 -1.094 1.00 0.00 H ATOM 267 N CYS A 115 2.899 -3.599 0.248 1.00 17.27 N ATOM 268 CA CYS A 115 2.445 -2.653 1.277 1.00 16.70 C ATOM 269 C CYS A 115 3.474 -1.624 1.758 1.00 16.86 C ATOM 270 O CYS A 115 3.079 -0.599 2.334 1.00 16.57 O ATOM 271 CB CYS A 115 1.916 -3.408 2.511 1.00 16.74 C ATOM 272 SG CYS A 115 0.583 -4.573 2.180 1.00 17.12 S ATOM 273 HA CYS A 115 1.665 -2.086 0.769 1.00 0.00 H ATOM 274 HB2 CYS A 115 1.551 -2.672 3.227 1.00 0.00 H ATOM 275 HB3 CYS A 115 2.746 -3.960 2.951 1.00 0.00 H ATOM 276 HG CYS A 115 0.201 -5.180 3.359 1.00 0.00 H ATOM 277 H CYS A 115 3.642 -4.286 0.487 1.00 0.00 H ATOM 278 N ALA A 116 4.769 -1.896 1.574 1.00 16.16 N ATOM 279 CA ALA A 116 5.802 -0.963 2.064 1.00 17.05 C ATOM 280 C ALA A 116 5.643 0.349 1.323 1.00 17.74 C ATOM 281 O ALA A 116 5.459 0.358 0.102 1.00 19.53 O ATOM 282 CB ALA A 116 7.195 -1.510 1.838 1.00 16.99 C ATOM 283 HA ALA A 116 5.674 -0.822 3.137 1.00 0.00 H ATOM 284 HB1 ALA A 116 7.303 -2.456 2.369 1.00 0.00 H ATOM 285 HB2 ALA A 116 7.352 -1.671 0.771 1.00 0.00 H ATOM 286 HB3 ALA A 116 7.929 -0.796 2.211 1.00 0.00 H ATOM 287 H ALA A 116 5.050 -2.769 1.083 1.00 0.00 H ATOM 288 N VAL A 117 5.681 1.445 2.074 1.00 18.09 N ATOM 289 CA VAL A 117 5.595 2.776 1.478 1.00 19.12 C ATOM 290 C VAL A 117 6.849 3.057 0.646 1.00 19.90 C ATOM 291 O VAL A 117 6.778 3.682 -0.424 1.00 21.44 O ATOM 292 CB VAL A 117 5.363 3.843 2.559 1.00 19.40 C ATOM 293 CG1 VAL A 117 5.657 5.251 2.007 1.00 19.11 C ATOM 294 CG2 VAL A 117 3.938 3.723 3.063 1.00 19.15 C ATOM 295 HA VAL A 117 4.737 2.815 0.807 1.00 0.00 H ATOM 296 HB VAL A 117 6.047 3.683 3.393 1.00 0.00 H ATOM 297 HG11 VAL A 117 6.695 5.302 1.678 1.00 0.00 H ATOM 298 HG12 VAL A 117 4.997 5.454 1.163 1.00 0.00 H ATOM 299 HG13 VAL A 117 5.486 5.990 2.790 1.00 0.00 H ATOM 300 HG21 VAL A 117 3.247 3.878 2.235 1.00 0.00 H ATOM 301 HG22 VAL A 117 3.785 2.729 3.484 1.00 0.00 H ATOM 302 HG23 VAL A 117 3.761 4.476 3.831 1.00 0.00 H ATOM 303 H VAL A 117 5.774 1.353 3.106 1.00 0.00 H ATOM 304 N ASP A 118 7.994 2.592 1.143 1.00 20.99 N ATOM 305 CA ASP A 118 9.255 2.685 0.411 1.00 22.01 C ATOM 306 C ASP A 118 10.195 1.522 0.782 1.00 21.81 C ATOM 307 O ASP A 118 9.919 0.771 1.729 1.00 20.67 O ATOM 308 CB ASP A 118 9.898 4.079 0.590 1.00 23.25 C ATOM 309 CG ASP A 118 10.483 4.297 1.973 1.00 24.46 C ATOM 310 OD1 ASP A 118 10.178 5.348 2.583 1.00 27.10 O ATOM 311 OD2 ASP A 118 11.261 3.439 2.432 1.00 25.77 O ATOM 312 HA ASP A 118 9.052 2.581 -0.655 1.00 0.00 H ATOM 313 HB2 ASP A 118 10.696 4.189 -0.145 1.00 0.00 H ATOM 314 HB3 ASP A 118 9.135 4.837 0.413 1.00 0.00 H ATOM 315 H ASP A 118 7.990 2.148 2.083 1.00 0.00 H ATOM 316 N PRO A 119 11.309 1.369 0.038 1.00 22.94 N ATOM 317 CA PRO A 119 12.145 0.177 0.227 1.00 22.77 C ATOM 318 C PRO A 119 12.867 0.087 1.578 1.00 21.93 C ATOM 319 O PRO A 119 13.381 -0.987 1.918 1.00 22.52 O ATOM 320 CB PRO A 119 13.161 0.265 -0.932 1.00 24.01 C ATOM 321 CG PRO A 119 12.609 1.289 -1.884 1.00 25.21 C ATOM 322 CD PRO A 119 11.820 2.239 -1.041 1.00 24.40 C ATOM 323 HA PRO A 119 11.526 -0.720 0.226 1.00 0.00 H ATOM 324 HD3 PRO A 119 12.454 3.030 -0.641 1.00 0.00 H ATOM 325 HD2 PRO A 119 11.002 2.683 -1.609 1.00 0.00 H ATOM 326 HG3 PRO A 119 11.966 0.813 -2.624 1.00 0.00 H ATOM 327 HG2 PRO A 119 13.419 1.813 -2.391 1.00 0.00 H ATOM 328 HB2 PRO A 119 14.136 0.579 -0.559 1.00 0.00 H ATOM 329 HB3 PRO A 119 13.257 -0.701 -1.427 1.00 0.00 H ATOM 330 N THR A 120 12.891 1.184 2.338 1.00 20.53 N ATOM 331 CA THR A 120 13.546 1.200 3.650 1.00 19.27 C ATOM 332 C THR A 120 12.626 0.696 4.763 1.00 18.25 C ATOM 333 O THR A 120 13.063 0.559 5.915 1.00 17.92 O ATOM 334 CB THR A 120 14.025 2.598 4.044 1.00 20.37 C ATOM 335 OG1 THR A 120 12.895 3.422 4.370 1.00 20.56 O ATOM 336 CG2 THR A 120 14.854 3.250 2.916 1.00 20.88 C ATOM 337 HA THR A 120 14.401 0.533 3.544 1.00 0.00 H ATOM 338 HB THR A 120 14.671 2.504 4.917 1.00 0.00 H ATOM 339 HG1 THR A 120 13.209 4.326 4.624 1.00 0.00 H ATOM 340 HG23 THR A 120 15.707 2.614 2.680 1.00 0.00 H ATOM 341 HG21 THR A 120 14.230 3.367 2.030 1.00 0.00 H ATOM 342 HG22 THR A 120 15.208 4.227 3.245 1.00 0.00 H ATOM 343 H THR A 120 12.433 2.051 1.990 1.00 0.00 H ATOM 344 N CYS A 121 11.356 0.487 4.428 1.00 17.43 N ATOM 345 CA CYS A 121 10.354 -0.018 5.368 1.00 16.56 C ATOM 346 C CYS A 121 10.501 -1.522 5.574 1.00 16.66 C ATOM 347 O CYS A 121 10.386 -2.312 4.627 1.00 16.62 O ATOM 348 CB CYS A 121 8.935 0.329 4.895 1.00 16.93 C ATOM 349 SG CYS A 121 8.663 2.127 4.761 1.00 17.34 S ATOM 350 HA CYS A 121 10.523 0.471 6.328 1.00 0.00 H ATOM 351 HB2 CYS A 121 8.219 -0.081 5.607 1.00 0.00 H ATOM 352 HB3 CYS A 121 8.772 -0.123 3.917 1.00 0.00 H ATOM 353 HG CYS A 121 9.556 2.659 3.853 1.00 0.00 H ATOM 354 H CYS A 121 11.061 0.692 3.452 1.00 0.00 H ATOM 355 N VAL A 122 10.715 -1.913 6.823 1.00 16.28 N ATOM 356 CA VAL A 122 11.127 -3.272 7.137 1.00 16.66 C ATOM 357 C VAL A 122 10.525 -3.770 8.453 1.00 16.39 C ATOM 358 O VAL A 122 10.155 -2.969 9.335 1.00 16.09 O ATOM 359 CB VAL A 122 12.687 -3.348 7.182 1.00 17.51 C ATOM 360 CG1 VAL A 122 13.243 -2.389 8.217 1.00 18.84 C ATOM 361 CG2 VAL A 122 13.185 -4.754 7.433 1.00 20.52 C ATOM 362 HA VAL A 122 10.751 -3.927 6.351 1.00 0.00 H ATOM 363 HB VAL A 122 13.050 -3.050 6.198 1.00 0.00 H ATOM 364 HG11 VAL A 122 12.947 -1.371 7.963 1.00 0.00 H ATOM 365 HG12 VAL A 122 12.849 -2.649 9.200 1.00 0.00 H ATOM 366 HG13 VAL A 122 14.331 -2.460 8.229 1.00 0.00 H ATOM 367 HG21 VAL A 122 12.801 -5.109 8.389 1.00 0.00 H ATOM 368 HG22 VAL A 122 12.837 -5.409 6.635 1.00 0.00 H ATOM 369 HG23 VAL A 122 14.275 -4.754 7.455 1.00 0.00 H ATOM 370 H VAL A 122 10.585 -1.231 7.597 1.00 0.00 H ATOM 371 N LEU A 123 10.437 -5.095 8.561 1.00 15.68 N ATOM 372 CA LEU A 123 9.942 -5.754 9.760 1.00 15.08 C ATOM 373 C LEU A 123 10.938 -6.786 10.223 1.00 14.89 C ATOM 374 O LEU A 123 11.565 -7.471 9.402 1.00 15.30 O ATOM 375 CB LEU A 123 8.623 -6.464 9.481 1.00 15.21 C ATOM 376 CG LEU A 123 7.429 -5.576 9.164 1.00 15.63 C ATOM 377 CD1 LEU A 123 6.271 -6.470 8.731 1.00 17.66 C ATOM 378 CD2 LEU A 123 7.023 -4.727 10.349 1.00 17.21 C ATOM 379 HA LEU A 123 9.794 -4.992 10.525 1.00 0.00 H ATOM 380 HB2 LEU A 123 8.777 -7.128 8.631 1.00 0.00 H ATOM 381 HB3 LEU A 123 8.372 -7.055 10.362 1.00 0.00 H ATOM 382 HG LEU A 123 7.703 -4.888 8.364 1.00 0.00 H ATOM 383 HD21 LEU A 123 6.754 -5.375 11.183 1.00 0.00 H ATOM 384 HD22 LEU A 123 7.856 -4.087 10.638 1.00 0.00 H ATOM 385 HD23 LEU A 123 6.167 -4.110 10.076 1.00 0.00 H ATOM 386 HD11 LEU A 123 6.562 -7.037 7.847 1.00 0.00 H ATOM 387 HD12 LEU A 123 6.023 -7.158 9.539 1.00 0.00 H ATOM 388 HD13 LEU A 123 5.404 -5.852 8.499 1.00 0.00 H ATOM 389 H LEU A 123 10.734 -5.682 7.756 1.00 0.00 H ATOM 390 N CYS A 124 11.065 -6.923 11.539 1.00 14.54 N ATOM 391 CA CYS A 124 11.817 -8.041 12.107 1.00 14.61 C ATOM 392 C CYS A 124 11.058 -9.350 11.867 1.00 15.19 C ATOM 393 O CYS A 124 9.890 -9.354 11.455 1.00 14.18 O ATOM 394 CB CYS A 124 12.077 -7.837 13.608 1.00 15.49 C ATOM 395 SG CYS A 124 10.620 -8.083 14.652 1.00 14.06 S ATOM 396 HA CYS A 124 12.786 -8.090 11.610 1.00 0.00 H ATOM 397 HB2 CYS A 124 12.438 -6.819 13.758 1.00 0.00 H ATOM 398 HB3 CYS A 124 12.846 -8.543 13.921 1.00 0.00 H ATOM 399 HG CYS A 124 9.636 -7.187 14.285 1.00 0.00 H ATOM 400 H CYS A 124 10.624 -6.226 12.173 1.00 0.00 H ATOM 401 N MET A 125 11.713 -10.467 12.143 1.00 16.16 N ATOM 402 CA MET A 125 11.109 -11.746 11.800 1.00 18.59 C ATOM 403 C MET A 125 9.839 -12.007 12.607 1.00 16.64 C ATOM 404 O MET A 125 8.843 -12.504 12.079 1.00 16.40 O ATOM 405 CB MET A 125 12.125 -12.853 11.992 1.00 19.07 C ATOM 406 CG MET A 125 11.610 -14.226 11.736 1.00 23.14 C ATOM 407 SD MET A 125 12.883 -15.403 12.173 1.00 29.84 S ATOM 408 CE MET A 125 13.752 -14.554 13.493 1.00 20.22 C ATOM 409 HA MET A 125 10.810 -11.719 10.752 1.00 0.00 H ATOM 410 HB2 MET A 125 12.957 -12.671 11.312 1.00 0.00 H ATOM 411 HB3 MET A 125 12.482 -12.811 13.021 1.00 0.00 H ATOM 412 HG2 MET A 125 11.357 -14.333 10.681 1.00 0.00 H ATOM 413 HG3 MET A 125 10.721 -14.404 12.341 1.00 0.00 H ATOM 414 HE1 MET A 125 14.154 -13.614 13.116 1.00 0.00 H ATOM 415 HE2 MET A 125 13.060 -14.353 14.311 1.00 0.00 H ATOM 416 HE3 MET A 125 14.568 -15.182 13.852 1.00 0.00 H ATOM 417 H MET A 125 12.647 -10.431 12.599 1.00 0.00 H ATOM 418 N GLU A 126 9.874 -11.662 13.886 1.00 16.71 N ATOM 419 CA GLU A 126 8.707 -11.894 14.741 1.00 16.49 C ATOM 420 C GLU A 126 7.493 -11.131 14.220 1.00 15.63 C ATOM 421 O GLU A 126 6.380 -11.669 14.130 1.00 15.49 O ATOM 422 CB GLU A 126 9.023 -11.468 16.171 1.00 17.49 C ATOM 423 CG GLU A 126 7.823 -11.498 17.075 1.00 19.21 C ATOM 424 CD GLU A 126 8.097 -10.903 18.443 1.00 21.59 C ATOM 425 OE1 GLU A 126 9.148 -10.225 18.662 1.00 21.90 O ATOM 426 OE2 GLU A 126 7.231 -11.124 19.302 1.00 25.93 O ATOM 427 HA GLU A 126 8.471 -12.958 14.727 1.00 0.00 H ATOM 428 HB2 GLU A 126 9.779 -12.142 16.575 1.00 0.00 H ATOM 429 HB3 GLU A 126 9.417 -10.452 16.151 1.00 0.00 H ATOM 430 HG2 GLU A 126 7.019 -10.932 16.604 1.00 0.00 H ATOM 431 HG3 GLU A 126 7.510 -12.534 17.203 1.00 0.00 H ATOM 432 H GLU A 126 10.731 -11.226 14.283 1.00 0.00 H ATOM 433 N CYS A 127 7.693 -9.859 13.876 1.00 14.44 N ATOM 434 CA CYS A 127 6.557 -9.071 13.424 1.00 14.48 C ATOM 435 C CYS A 127 6.077 -9.517 12.054 1.00 13.94 C ATOM 436 O CYS A 127 4.879 -9.619 11.809 1.00 14.66 O ATOM 437 CB CYS A 127 6.896 -7.591 13.443 1.00 14.62 C ATOM 438 SG CYS A 127 7.226 -7.047 15.149 1.00 13.86 S ATOM 439 HA CYS A 127 5.733 -9.238 14.117 1.00 0.00 H ATOM 440 HB2 CYS A 127 6.058 -7.024 13.039 1.00 0.00 H ATOM 441 HB3 CYS A 127 7.781 -7.415 12.831 1.00 0.00 H ATOM 442 HG CYS A 127 6.106 -7.266 15.925 1.00 0.00 H ATOM 443 H CYS A 127 8.643 -9.438 13.930 1.00 0.00 H ATOM 444 N PHE A 128 7.023 -9.795 11.169 1.00 13.97 N ATOM 445 CA PHE A 128 6.667 -10.247 9.830 1.00 13.97 C ATOM 446 C PHE A 128 5.818 -11.518 9.898 1.00 14.18 C ATOM 447 O PHE A 128 4.778 -11.619 9.246 1.00 14.73 O ATOM 448 CB PHE A 128 7.901 -10.488 8.985 1.00 14.48 C ATOM 449 CG PHE A 128 7.618 -11.248 7.718 1.00 14.97 C ATOM 450 CD1 PHE A 128 7.009 -10.626 6.627 1.00 16.19 C ATOM 451 CD2 PHE A 128 7.970 -12.585 7.621 1.00 16.83 C ATOM 452 CE1 PHE A 128 6.751 -11.352 5.439 1.00 16.54 C ATOM 453 CE2 PHE A 128 7.723 -13.313 6.447 1.00 17.46 C ATOM 454 CZ PHE A 128 7.113 -12.689 5.362 1.00 18.15 C ATOM 455 HA PHE A 128 6.082 -9.457 9.359 1.00 0.00 H ATOM 456 HB2 PHE A 128 8.333 -9.523 8.720 1.00 0.00 H ATOM 457 HB3 PHE A 128 8.619 -11.056 9.576 1.00 0.00 H ATOM 458 HD2 PHE A 128 8.446 -13.078 8.469 1.00 0.00 H ATOM 459 HE2 PHE A 128 8.008 -14.363 6.385 1.00 0.00 H ATOM 460 HZ PHE A 128 6.919 -13.253 4.449 1.00 0.00 H ATOM 461 HE1 PHE A 128 6.271 -10.864 4.591 1.00 0.00 H ATOM 462 HD1 PHE A 128 6.730 -9.574 6.690 1.00 0.00 H ATOM 463 H PHE A 128 8.024 -9.690 11.431 1.00 0.00 H ATOM 464 N LEU A 129 6.258 -12.479 10.706 1.00 14.12 N ATOM 465 CA LEU A 129 5.570 -13.778 10.796 1.00 14.35 C ATOM 466 C LEU A 129 4.178 -13.693 11.435 1.00 14.34 C ATOM 467 O LEU A 129 3.374 -14.618 11.292 1.00 15.36 O ATOM 468 CB LEU A 129 6.449 -14.783 11.532 1.00 14.17 C ATOM 469 CG LEU A 129 7.719 -15.182 10.764 1.00 14.68 C ATOM 470 CD1 LEU A 129 8.545 -16.105 11.623 1.00 15.69 C ATOM 471 CD2 LEU A 129 7.391 -15.805 9.411 1.00 15.59 C ATOM 472 HA LEU A 129 5.404 -14.117 9.774 1.00 0.00 H ATOM 473 HB2 LEU A 129 6.747 -14.345 12.485 1.00 0.00 H ATOM 474 HB3 LEU A 129 5.862 -15.683 11.715 1.00 0.00 H ATOM 475 HG LEU A 129 8.300 -14.285 10.549 1.00 0.00 H ATOM 476 HD21 LEU A 129 6.786 -16.699 9.561 1.00 0.00 H ATOM 477 HD22 LEU A 129 6.836 -15.087 8.807 1.00 0.00 H ATOM 478 HD23 LEU A 129 8.317 -16.072 8.901 1.00 0.00 H ATOM 479 HD11 LEU A 129 8.819 -15.593 12.545 1.00 0.00 H ATOM 480 HD12 LEU A 129 7.964 -16.996 11.860 1.00 0.00 H ATOM 481 HD13 LEU A 129 9.447 -16.391 11.083 1.00 0.00 H ATOM 482 H LEU A 129 7.105 -12.310 11.286 1.00 0.00 H ATOM 483 N GLY A 130 3.925 -12.605 12.167 1.00 13.41 N ATOM 484 CA GLY A 130 2.595 -12.347 12.752 1.00 14.03 C ATOM 485 C GLY A 130 1.848 -11.217 12.050 1.00 14.53 C ATOM 486 O GLY A 130 0.908 -10.648 12.617 1.00 14.40 O ATOM 487 HA3 GLY A 130 2.722 -12.082 13.802 1.00 0.00 H ATOM 488 HA2 GLY A 130 1.999 -13.257 12.678 1.00 0.00 H ATOM 489 H GLY A 130 4.689 -11.918 12.330 1.00 0.00 H ATOM 490 N SER A 131 2.261 -10.904 10.818 1.00 14.07 N ATOM 491 CA SER A 131 1.637 -9.828 10.042 1.00 14.46 C ATOM 492 C SER A 131 0.886 -10.370 8.836 1.00 14.95 C ATOM 493 O SER A 131 1.096 -11.510 8.423 1.00 15.52 O ATOM 494 CB SER A 131 2.680 -8.809 9.555 1.00 14.10 C ATOM 495 OG SER A 131 3.429 -9.328 8.471 1.00 15.09 O ATOM 496 HA SER A 131 0.933 -9.335 10.712 1.00 0.00 H ATOM 497 HB2 SER A 131 3.357 -8.572 10.375 1.00 0.00 H ATOM 498 HB3 SER A 131 2.169 -7.901 9.233 1.00 0.00 H ATOM 499 HG SER A 131 3.898 -10.150 8.760 1.00 0.00 H ATOM 500 H SER A 131 3.048 -11.439 10.398 1.00 0.00 H ATOM 501 N ILE A 132 0.040 -9.529 8.248 1.00 15.12 N ATOM 502 CA ILE A 132 -0.651 -9.900 7.000 1.00 16.30 C ATOM 503 C ILE A 132 0.350 -10.119 5.853 1.00 15.76 C ATOM 504 O ILE A 132 0.046 -10.781 4.866 1.00 16.47 O ATOM 505 CB ILE A 132 -1.720 -8.836 6.561 1.00 16.21 C ATOM 506 CG1 ILE A 132 -1.069 -7.478 6.245 1.00 16.87 C ATOM 507 CG2 ILE A 132 -2.838 -8.715 7.591 1.00 20.00 C ATOM 508 CD1 ILE A 132 -1.997 -6.488 5.518 1.00 18.43 C ATOM 509 HA ILE A 132 -1.172 -10.834 7.212 1.00 0.00 H ATOM 510 HB ILE A 132 -2.177 -9.187 5.636 1.00 0.00 H ATOM 511 HG12 ILE A 132 -0.752 -7.024 7.184 1.00 0.00 H ATOM 512 HG13 ILE A 132 -0.197 -7.655 5.616 1.00 0.00 H ATOM 513 HD11 ILE A 132 -2.315 -6.920 4.569 1.00 0.00 H ATOM 514 HD12 ILE A 132 -2.871 -6.288 6.138 1.00 0.00 H ATOM 515 HD13 ILE A 132 -1.460 -5.557 5.334 1.00 0.00 H ATOM 516 HG21 ILE A 132 -3.334 -9.679 7.702 1.00 0.00 H ATOM 517 HG22 ILE A 132 -2.417 -8.409 8.549 1.00 0.00 H ATOM 518 HG23 ILE A 132 -3.560 -7.971 7.256 1.00 0.00 H ATOM 519 H ILE A 132 -0.136 -8.597 8.674 1.00 0.00 H ATOM 520 N HIS A 133 1.560 -9.577 6.003 1.00 15.21 N ATOM 521 CA HIS A 133 2.518 -9.522 4.893 1.00 15.08 C ATOM 522 C HIS A 133 3.142 -10.861 4.543 1.00 15.59 C ATOM 523 O HIS A 133 3.682 -11.031 3.449 1.00 15.65 O ATOM 524 CB HIS A 133 3.569 -8.440 5.157 1.00 15.14 C ATOM 525 CG HIS A 133 2.951 -7.135 5.541 1.00 15.66 C ATOM 526 ND1 HIS A 133 2.173 -6.404 4.671 1.00 15.28 N ATOM 527 CD2 HIS A 133 2.918 -6.477 6.725 1.00 15.38 C ATOM 528 CE1 HIS A 133 1.700 -5.339 5.297 1.00 15.78 C ATOM 529 NE2 HIS A 133 2.152 -5.352 6.542 1.00 15.98 N ATOM 530 HA HIS A 133 1.951 -9.250 4.002 1.00 0.00 H ATOM 531 HB2 HIS A 133 4.220 -8.772 5.966 1.00 0.00 H ATOM 532 HB3 HIS A 133 4.160 -8.296 4.253 1.00 0.00 H ATOM 533 HD2 HIS A 133 3.408 -6.783 7.649 1.00 0.00 H ATOM 534 HE1 HIS A 133 1.049 -4.580 4.862 1.00 0.00 H ATOM 535 H HIS A 133 1.830 -9.185 6.928 1.00 0.00 H ATOM 536 N ARG A 134 3.026 -11.814 5.469 1.00 16.31 N ATOM 537 CA ARG A 134 3.509 -13.172 5.210 1.00 17.12 C ATOM 538 C ARG A 134 2.745 -13.859 4.078 1.00 17.78 C ATOM 539 O ARG A 134 3.210 -14.855 3.537 1.00 18.81 O ATOM 540 CB ARG A 134 3.493 -14.028 6.479 1.00 17.42 C ATOM 541 CG ARG A 134 2.121 -14.357 7.042 1.00 18.87 C ATOM 542 CD ARG A 134 2.257 -15.338 8.201 1.00 18.77 C ATOM 543 NE ARG A 134 2.749 -16.638 7.743 1.00 20.37 N ATOM 544 CZ ARG A 134 3.580 -17.427 8.425 1.00 19.80 C ATOM 545 NH1 ARG A 134 4.026 -17.094 9.640 1.00 18.86 N ATOM 546 NH2 ARG A 134 3.947 -18.576 7.889 1.00 20.26 N ATOM 547 HA ARG A 134 4.544 -13.072 4.883 1.00 0.00 H ATOM 548 HB2 ARG A 134 3.996 -14.968 6.254 1.00 0.00 H ATOM 549 HB3 ARG A 134 4.051 -13.495 7.249 1.00 0.00 H ATOM 550 HG2 ARG A 134 1.647 -13.442 7.396 1.00 0.00 H ATOM 551 HG3 ARG A 134 1.507 -14.804 6.260 1.00 0.00 H ATOM 552 HD2 ARG A 134 1.282 -15.472 8.669 1.00 0.00 H ATOM 553 HD3 ARG A 134 2.956 -14.931 8.931 1.00 0.00 H ATOM 554 HE ARG A 134 2.425 -16.973 6.813 1.00 0.00 H ATOM 555 HH12 ARG A 134 4.674 -17.729 10.148 1.00 0.00 H ATOM 556 HH11 ARG A 134 3.725 -16.199 10.077 1.00 0.00 H ATOM 557 HH22 ARG A 134 4.594 -19.207 8.404 1.00 0.00 H ATOM 558 HH21 ARG A 134 3.589 -18.851 6.952 1.00 0.00 H ATOM 559 H ARG A 134 2.588 -11.590 6.385 1.00 0.00 H ATOM 560 N ASP A 135 1.585 -13.306 3.734 1.00 17.87 N ATOM 561 CA ASP A 135 0.755 -13.818 2.640 1.00 19.26 C ATOM 562 C ASP A 135 0.861 -12.963 1.383 1.00 19.49 C ATOM 563 O ASP A 135 0.152 -13.203 0.387 1.00 21.04 O ATOM 564 CB ASP A 135 -0.699 -13.917 3.101 1.00 19.95 C ATOM 565 CG ASP A 135 -0.888 -14.964 4.183 1.00 21.57 C ATOM 566 OD1 ASP A 135 -0.229 -16.026 4.115 1.00 21.91 O ATOM 567 OD2 ASP A 135 -1.699 -14.725 5.103 1.00 24.71 O ATOM 568 HA ASP A 135 1.125 -14.809 2.378 1.00 0.00 H ATOM 569 HB2 ASP A 135 -1.010 -12.948 3.492 1.00 0.00 H ATOM 570 HB3 ASP A 135 -1.322 -14.180 2.246 1.00 0.00 H ATOM 571 H ASP A 135 1.253 -12.475 4.264 1.00 0.00 H ATOM 572 N HIS A 136 1.769 -11.991 1.427 1.00 19.00 N ATOM 573 CA HIS A 136 1.981 -11.055 0.334 1.00 19.41 C ATOM 574 C HIS A 136 3.287 -11.326 -0.413 1.00 20.06 C ATOM 575 O HIS A 136 3.977 -12.319 -0.155 1.00 20.02 O ATOM 576 CB HIS A 136 1.938 -9.612 0.860 1.00 18.62 C ATOM 577 CG HIS A 136 0.621 -9.225 1.459 1.00 17.62 C ATOM 578 ND1 HIS A 136 0.442 -8.063 2.176 1.00 17.93 N ATOM 579 CD2 HIS A 136 -0.581 -9.854 1.453 1.00 19.27 C ATOM 580 CE1 HIS A 136 -0.815 -7.986 2.578 1.00 18.89 C ATOM 581 NE2 HIS A 136 -1.461 -9.057 2.142 1.00 18.17 N ATOM 582 HA HIS A 136 1.173 -11.196 -0.384 1.00 0.00 H ATOM 583 HB2 HIS A 136 2.709 -9.501 1.623 1.00 0.00 H ATOM 584 HB3 HIS A 136 2.150 -8.937 0.031 1.00 0.00 H ATOM 585 HD2 HIS A 136 -0.806 -10.814 0.988 1.00 0.00 H ATOM 586 HE1 HIS A 136 -1.247 -7.178 3.168 1.00 0.00 H ATOM 587 H HIS A 136 2.354 -11.896 2.282 1.00 0.00 H ATOM 588 N ARG A 137 3.609 -10.459 -1.371 1.00 19.91 N ATOM 589 CA ARG A 137 4.869 -10.556 -2.086 1.00 21.30 C ATOM 590 C ARG A 137 5.929 -9.939 -1.201 1.00 21.81 C ATOM 591 O ARG A 137 6.235 -8.755 -1.324 1.00 22.87 O ATOM 592 CB ARG A 137 4.813 -9.797 -3.418 1.00 23.03 C ATOM 593 CG ARG A 137 3.903 -10.402 -4.483 1.00 24.54 C ATOM 594 CD ARG A 137 4.004 -9.598 -5.784 1.00 26.90 C ATOM 595 NE ARG A 137 3.697 -8.184 -5.545 1.00 28.63 N ATOM 596 CZ ARG A 137 4.299 -7.151 -6.133 1.00 33.16 C ATOM 597 NH1 ARG A 137 5.266 -7.336 -7.026 1.00 35.96 N ATOM 598 NH2 ARG A 137 3.927 -5.914 -5.819 1.00 34.64 N ATOM 599 HA ARG A 137 5.088 -11.600 -2.311 1.00 0.00 H ATOM 600 HB2 ARG A 137 4.464 -8.785 -3.213 1.00 0.00 H ATOM 601 HB3 ARG A 137 5.824 -9.756 -3.824 1.00 0.00 H ATOM 602 HG2 ARG A 137 4.205 -11.432 -4.672 1.00 0.00 H ATOM 603 HG3 ARG A 137 2.872 -10.386 -4.128 1.00 0.00 H ATOM 604 HD2 ARG A 137 3.297 -10.000 -6.509 1.00 0.00 H ATOM 605 HD3 ARG A 137 5.016 -9.683 -6.180 1.00 0.00 H ATOM 606 HE ARG A 137 2.946 -7.969 -4.858 1.00 0.00 H ATOM 607 HH12 ARG A 137 5.724 -6.517 -7.474 1.00 0.00 H ATOM 608 HH11 ARG A 137 5.565 -8.300 -7.277 1.00 0.00 H ATOM 609 HH22 ARG A 137 4.391 -5.101 -6.272 1.00 0.00 H ATOM 610 HH21 ARG A 137 3.172 -5.759 -5.120 1.00 0.00 H ATOM 611 H ARG A 137 2.944 -9.696 -1.612 1.00 0.00 H ATOM 612 N TYR A 138 6.469 -10.734 -0.285 1.00 22.10 N ATOM 613 CA TYR A 138 7.498 -10.240 0.625 1.00 22.92 C ATOM 614 C TYR A 138 8.905 -10.370 0.046 1.00 24.19 C ATOM 615 O TYR A 138 9.129 -11.089 -0.922 1.00 25.57 O ATOM 616 CB TYR A 138 7.399 -10.944 1.980 1.00 23.49 C ATOM 617 CG TYR A 138 7.600 -12.445 1.933 1.00 23.76 C ATOM 618 CD1 TYR A 138 6.510 -13.306 1.799 1.00 25.58 C ATOM 619 CD2 TYR A 138 8.877 -13.002 2.053 1.00 26.02 C ATOM 620 CE1 TYR A 138 6.679 -14.682 1.761 1.00 27.73 C ATOM 621 CE2 TYR A 138 9.057 -14.381 2.018 1.00 27.44 C ATOM 622 CZ TYR A 138 7.952 -15.213 1.874 1.00 27.87 C ATOM 623 OH TYR A 138 8.119 -16.588 1.846 1.00 32.37 O ATOM 624 HA TYR A 138 7.315 -9.175 0.766 1.00 0.00 H ATOM 625 HB3 TYR A 138 6.410 -10.747 2.393 1.00 0.00 H ATOM 626 HB2 TYR A 138 8.157 -10.521 2.639 1.00 0.00 H ATOM 627 HD2 TYR A 138 9.741 -12.349 2.175 1.00 0.00 H ATOM 628 HE2 TYR A 138 10.057 -14.806 2.103 1.00 0.00 H ATOM 629 HE1 TYR A 138 5.817 -15.339 1.643 1.00 0.00 H ATOM 630 HD1 TYR A 138 5.506 -12.889 1.723 1.00 0.00 H ATOM 631 HH TYR A 138 7.237 -17.024 1.739 1.00 0.00 H ATOM 632 H TYR A 138 6.154 -11.723 -0.215 1.00 0.00 H ATOM 633 N ARG A 139 9.845 -9.659 0.654 1.00 24.63 N ATOM 634 CA ARG A 139 11.249 -9.767 0.294 1.00 26.52 C ATOM 635 C ARG A 139 12.068 -9.818 1.575 1.00 25.79 C ATOM 636 O ARG A 139 11.821 -9.055 2.500 1.00 26.08 O ATOM 637 CB ARG A 139 11.686 -8.583 -0.565 1.00 28.25 C ATOM 638 CG ARG A 139 13.113 -8.701 -1.086 1.00 32.25 C ATOM 639 CD ARG A 139 13.259 -8.014 -2.413 1.00 37.06 C ATOM 640 NE ARG A 139 12.575 -8.764 -3.461 1.00 39.35 N ATOM 641 CZ ARG A 139 12.106 -8.238 -4.589 1.00 41.01 C ATOM 642 NH1 ARG A 139 12.230 -6.938 -4.837 1.00 41.41 N ATOM 643 NH2 ARG A 139 11.498 -9.019 -5.465 1.00 43.23 N ATOM 644 HA ARG A 139 11.406 -10.673 -0.291 1.00 0.00 H ATOM 645 HB2 ARG A 139 11.012 -8.509 -1.419 1.00 0.00 H ATOM 646 HB3 ARG A 139 11.612 -7.676 0.035 1.00 0.00 H ATOM 647 HG2 ARG A 139 13.794 -8.241 -0.369 1.00 0.00 H ATOM 648 HG3 ARG A 139 13.365 -9.755 -1.200 1.00 0.00 H ATOM 649 HD2 ARG A 139 14.317 -7.936 -2.661 1.00 0.00 H ATOM 650 HD3 ARG A 139 12.828 -7.015 -2.348 1.00 0.00 H ATOM 651 HE ARG A 139 12.445 -9.785 -3.315 1.00 0.00 H ATOM 652 HH12 ARG A 139 11.859 -6.540 -5.723 1.00 0.00 H ATOM 653 HH11 ARG A 139 12.698 -6.319 -4.145 1.00 0.00 H ATOM 654 HH22 ARG A 139 11.128 -8.618 -6.350 1.00 0.00 H ATOM 655 HH21 ARG A 139 11.390 -10.035 -5.269 1.00 0.00 H ATOM 656 H ARG A 139 9.569 -9.003 1.413 1.00 0.00 H ATOM 657 N MET A 140 13.027 -10.733 1.623 1.00 26.80 N ATOM 658 CA MET A 140 13.897 -10.863 2.776 1.00 26.05 C ATOM 659 C MET A 140 15.289 -10.370 2.412 1.00 27.48 C ATOM 660 O MET A 140 15.822 -10.700 1.346 1.00 29.37 O ATOM 661 CB MET A 140 13.940 -12.313 3.271 1.00 27.05 C ATOM 662 CG MET A 140 14.646 -12.510 4.628 1.00 26.94 C ATOM 663 SD MET A 140 16.466 -12.441 4.552 1.00 32.10 S ATOM 664 CE MET A 140 16.807 -13.741 3.374 1.00 33.62 C ATOM 665 HA MET A 140 13.504 -10.254 3.590 1.00 0.00 H ATOM 666 HB2 MET A 140 12.915 -12.670 3.366 1.00 0.00 H ATOM 667 HB3 MET A 140 14.464 -12.911 2.525 1.00 0.00 H ATOM 668 HG2 MET A 140 14.358 -13.484 5.023 1.00 0.00 H ATOM 669 HG3 MET A 140 14.304 -11.729 5.307 1.00 0.00 H ATOM 670 HE1 MET A 140 16.422 -14.686 3.757 1.00 0.00 H ATOM 671 HE2 MET A 140 16.322 -13.507 2.426 1.00 0.00 H ATOM 672 HE3 MET A 140 17.884 -13.820 3.223 1.00 0.00 H ATOM 673 H MET A 140 13.158 -11.373 0.814 1.00 0.00 H ATOM 674 N THR A 141 15.859 -9.549 3.288 1.00 26.59 N ATOM 675 CA THR A 141 17.258 -9.150 3.162 1.00 28.32 C ATOM 676 C THR A 141 17.974 -9.511 4.462 1.00 27.10 C ATOM 677 O THR A 141 17.357 -9.555 5.522 1.00 25.76 O ATOM 678 CB THR A 141 17.419 -7.639 2.862 1.00 29.23 C ATOM 679 OG1 THR A 141 17.054 -6.870 4.016 1.00 30.50 O ATOM 680 CG2 THR A 141 16.558 -7.215 1.669 1.00 30.32 C ATOM 681 HA THR A 141 17.696 -9.680 2.316 1.00 0.00 H ATOM 682 HB THR A 141 18.464 -7.455 2.613 1.00 0.00 H ATOM 683 HG1 THR A 141 16.111 -7.058 4.252 1.00 0.00 H ATOM 684 HG23 THR A 141 16.838 -7.801 0.794 1.00 0.00 H ATOM 685 HG21 THR A 141 15.507 -7.387 1.902 1.00 0.00 H ATOM 686 HG22 THR A 141 16.718 -6.156 1.465 1.00 0.00 H ATOM 687 H THR A 141 15.296 -9.182 4.082 1.00 0.00 H ATOM 688 N THR A 142 19.264 -9.802 4.367 1.00 27.98 N ATOM 689 CA THR A 142 20.092 -10.063 5.537 1.00 27.49 C ATOM 690 C THR A 142 20.617 -8.728 6.062 1.00 26.00 C ATOM 691 O THR A 142 21.265 -7.978 5.316 1.00 27.30 O ATOM 692 CB THR A 142 21.267 -10.997 5.176 1.00 30.17 C ATOM 693 OG1 THR A 142 20.749 -12.233 4.673 1.00 32.38 O ATOM 694 CG2 THR A 142 22.168 -11.269 6.391 1.00 30.31 C ATOM 695 HA THR A 142 19.498 -10.559 6.305 1.00 0.00 H ATOM 696 HB THR A 142 21.873 -10.505 4.416 1.00 0.00 H ATOM 697 HG1 THR A 142 21.500 -12.834 4.441 1.00 0.00 H ATOM 698 HG23 THR A 142 22.560 -10.325 6.770 1.00 0.00 H ATOM 699 HG21 THR A 142 21.586 -11.761 7.170 1.00 0.00 H ATOM 700 HG22 THR A 142 22.995 -11.913 6.092 1.00 0.00 H ATOM 701 H THR A 142 19.700 -9.845 3.424 1.00 0.00 H ATOM 702 N SER A 143 20.347 -8.437 7.334 1.00 23.53 N ATOM 703 CA SER A 143 20.776 -7.166 7.908 1.00 22.71 C ATOM 704 C SER A 143 22.285 -7.078 8.068 1.00 23.63 C ATOM 705 O SER A 143 22.949 -8.060 8.419 1.00 24.08 O ATOM 706 CB SER A 143 20.131 -6.907 9.265 1.00 21.39 C ATOM 707 OG SER A 143 20.474 -5.602 9.716 1.00 21.77 O ATOM 708 HA SER A 143 20.450 -6.406 7.197 1.00 0.00 H ATOM 709 HB2 SER A 143 20.488 -7.645 9.983 1.00 0.00 H ATOM 710 HB3 SER A 143 19.048 -6.986 9.173 1.00 0.00 H ATOM 711 HG SER A 143 20.148 -4.932 9.063 1.00 0.00 H ATOM 712 H SER A 143 19.827 -9.120 7.921 1.00 0.00 H ATOM 713 N GLY A 144 22.817 -5.887 7.810 1.00 23.84 N ATOM 714 CA GLY A 144 24.213 -5.597 8.119 1.00 24.41 C ATOM 715 C GLY A 144 24.367 -5.090 9.546 1.00 22.79 C ATOM 716 O GLY A 144 25.482 -4.800 9.989 1.00 24.20 O ATOM 717 HA3 GLY A 144 24.579 -4.836 7.430 1.00 0.00 H ATOM 718 HA2 GLY A 144 24.800 -6.507 7.999 1.00 0.00 H ATOM 719 H GLY A 144 22.226 -5.147 7.379 1.00 0.00 H ATOM 720 N GLY A 145 23.252 -4.996 10.267 1.00 21.17 N ATOM 721 CA GLY A 145 23.245 -4.447 11.617 1.00 20.07 C ATOM 722 C GLY A 145 22.791 -2.998 11.634 1.00 20.27 C ATOM 723 O GLY A 145 23.126 -2.220 10.744 1.00 22.07 O ATOM 724 HA3 GLY A 145 24.253 -4.506 12.028 1.00 0.00 H ATOM 725 HA2 GLY A 145 22.567 -5.037 12.235 1.00 0.00 H ATOM 726 H GLY A 145 22.356 -5.325 9.853 1.00 0.00 H ATOM 727 N GLY A 146 22.038 -2.634 12.660 1.00 19.48 N ATOM 728 CA GLY A 146 21.535 -1.261 12.752 1.00 20.54 C ATOM 729 C GLY A 146 20.214 -1.144 12.008 1.00 19.88 C ATOM 730 O GLY A 146 19.772 -2.078 11.309 1.00 20.15 O ATOM 731 HA3 GLY A 146 22.261 -0.579 12.310 1.00 0.00 H ATOM 732 HA2 GLY A 146 21.385 -1.000 13.800 1.00 0.00 H ATOM 733 H GLY A 146 21.803 -3.324 13.402 1.00 0.00 H ATOM 734 N GLY A 147 19.561 -0.001 12.151 1.00 20.33 N ATOM 735 CA GLY A 147 18.192 0.132 11.650 1.00 17.78 C ATOM 736 C GLY A 147 17.246 -0.575 12.595 1.00 16.70 C ATOM 737 O GLY A 147 17.674 -1.242 13.536 1.00 16.10 O ATOM 738 HA3 GLY A 147 18.121 -0.317 10.659 1.00 0.00 H ATOM 739 HA2 GLY A 147 17.926 1.187 11.590 1.00 0.00 H ATOM 740 H GLY A 147 20.022 0.804 12.621 1.00 0.00 H ATOM 741 N PHE A 148 15.950 -0.450 12.354 1.00 14.88 N ATOM 742 CA PHE A 148 14.979 -0.966 13.323 1.00 14.17 C ATOM 743 C PHE A 148 13.679 -1.389 12.655 1.00 13.76 C ATOM 744 O PHE A 148 13.400 -0.999 11.523 1.00 14.58 O ATOM 745 CB PHE A 148 14.665 0.079 14.406 1.00 14.21 C ATOM 746 CG PHE A 148 14.163 1.385 13.853 1.00 14.36 C ATOM 747 CD1 PHE A 148 15.048 2.420 13.566 1.00 15.96 C ATOM 748 CD2 PHE A 148 12.811 1.573 13.617 1.00 15.56 C ATOM 749 CE1 PHE A 148 14.584 3.624 13.044 1.00 15.81 C ATOM 750 CE2 PHE A 148 12.328 2.786 13.090 1.00 14.67 C ATOM 751 CZ PHE A 148 13.227 3.808 12.803 1.00 14.41 C ATOM 752 HA PHE A 148 15.439 -1.841 13.782 1.00 0.00 H ATOM 753 HB2 PHE A 148 13.904 -0.330 15.070 1.00 0.00 H ATOM 754 HB3 PHE A 148 15.575 0.272 14.974 1.00 0.00 H ATOM 755 HD2 PHE A 148 12.110 0.769 13.843 1.00 0.00 H ATOM 756 HE2 PHE A 148 11.262 2.923 12.909 1.00 0.00 H ATOM 757 HZ PHE A 148 12.868 4.751 12.390 1.00 0.00 H ATOM 758 HE1 PHE A 148 15.288 4.426 12.823 1.00 0.00 H ATOM 759 HD1 PHE A 148 16.114 2.287 13.752 1.00 0.00 H ATOM 760 H PHE A 148 15.623 0.012 11.482 1.00 0.00 H ATOM 761 N CYS A 149 12.906 -2.193 13.379 1.00 14.31 N ATOM 762 CA CYS A 149 11.646 -2.711 12.883 1.00 13.67 C ATOM 763 C CYS A 149 10.589 -1.603 12.839 1.00 13.70 C ATOM 764 O CYS A 149 10.455 -0.812 13.777 1.00 13.52 O ATOM 765 CB CYS A 149 11.167 -3.815 13.810 1.00 13.75 C ATOM 766 SG CYS A 149 9.591 -4.512 13.358 1.00 14.51 S ATOM 767 HA CYS A 149 11.795 -3.097 11.875 1.00 0.00 H ATOM 768 HB2 CYS A 149 11.084 -3.405 14.817 1.00 0.00 H ATOM 769 HB3 CYS A 149 11.909 -4.613 13.804 1.00 0.00 H ATOM 770 HG CYS A 149 9.251 -5.500 14.260 1.00 0.00 H ATOM 771 H CYS A 149 13.216 -2.460 14.335 1.00 0.00 H ATOM 772 N ASP A 150 9.851 -1.568 11.739 1.00 14.16 N ATOM 773 CA ASP A 150 8.826 -0.554 11.514 1.00 13.33 C ATOM 774 C ASP A 150 7.407 -1.000 11.884 1.00 14.14 C ATOM 775 O ASP A 150 6.433 -0.352 11.509 1.00 14.48 O ATOM 776 CB ASP A 150 8.861 -0.087 10.055 1.00 14.28 C ATOM 777 CG ASP A 150 10.158 0.592 9.707 1.00 14.52 C ATOM 778 OD1 ASP A 150 10.545 1.557 10.415 1.00 15.11 O ATOM 779 OD2 ASP A 150 10.794 0.153 8.734 1.00 14.42 O ATOM 780 HA ASP A 150 9.068 0.269 12.186 1.00 0.00 H ATOM 781 HB2 ASP A 150 8.732 -0.953 9.406 1.00 0.00 H ATOM 782 HB3 ASP A 150 8.042 0.614 9.891 1.00 0.00 H ATOM 783 H ASP A 150 10.008 -2.291 11.008 1.00 0.00 H ATOM 784 N CYS A 151 7.297 -2.088 12.640 1.00 14.11 N ATOM 785 CA CYS A 151 5.975 -2.541 13.054 1.00 14.25 C ATOM 786 C CYS A 151 5.283 -1.405 13.802 1.00 15.21 C ATOM 787 O CYS A 151 5.847 -0.821 14.730 1.00 14.99 O ATOM 788 CB CYS A 151 6.072 -3.784 13.945 1.00 14.92 C ATOM 789 SG CYS A 151 4.474 -4.269 14.602 1.00 15.37 S ATOM 790 HA CYS A 151 5.396 -2.814 12.172 1.00 0.00 H ATOM 791 HB2 CYS A 151 6.744 -3.570 14.776 1.00 0.00 H ATOM 792 HB3 CYS A 151 6.475 -4.608 13.357 1.00 0.00 H ATOM 793 HG CYS A 151 3.956 -3.237 15.357 1.00 0.00 H ATOM 794 H CYS A 151 8.147 -2.611 12.933 1.00 0.00 H ATOM 795 N GLY A 152 4.080 -1.076 13.343 1.00 16.43 N ATOM 796 CA GLY A 152 3.232 -0.103 14.024 1.00 18.06 C ATOM 797 C GLY A 152 3.241 1.271 13.404 1.00 19.16 C ATOM 798 O GLY A 152 2.430 2.127 13.789 1.00 20.96 O ATOM 799 HA3 GLY A 152 3.574 -0.015 15.055 1.00 0.00 H ATOM 800 HA2 GLY A 152 2.208 -0.476 14.013 1.00 0.00 H ATOM 801 H GLY A 152 3.732 -1.526 12.472 1.00 0.00 H ATOM 802 N ASP A 153 4.163 1.494 12.465 1.00 19.06 N ATOM 803 CA ASP A 153 4.256 2.780 11.783 1.00 19.67 C ATOM 804 C ASP A 153 3.306 2.876 10.610 1.00 20.78 C ATOM 805 O ASP A 153 3.542 2.305 9.539 1.00 20.58 O ATOM 806 CB ASP A 153 5.699 3.088 11.334 1.00 18.70 C ATOM 807 CG ASP A 153 5.883 4.561 10.935 1.00 19.85 C ATOM 808 OD1 ASP A 153 4.868 5.281 10.758 1.00 20.95 O ATOM 809 OD2 ASP A 153 7.044 5.004 10.824 1.00 19.52 O ATOM 810 HA ASP A 153 3.959 3.533 12.513 1.00 0.00 H ATOM 811 HB2 ASP A 153 6.378 2.859 12.155 1.00 0.00 H ATOM 812 HB3 ASP A 153 5.942 2.459 10.477 1.00 0.00 H ATOM 813 H ASP A 153 4.829 0.735 12.214 1.00 0.00 H ATOM 814 N THR A 154 2.235 3.642 10.797 1.00 22.56 N ATOM 815 CA THR A 154 1.262 3.787 9.739 1.00 24.20 C ATOM 816 C THR A 154 1.848 4.473 8.489 1.00 24.58 C ATOM 817 O THR A 154 1.364 4.252 7.376 1.00 26.38 O ATOM 818 CB THR A 154 -0.013 4.470 10.263 1.00 25.75 C ATOM 819 OG1 THR A 154 -1.076 4.260 9.333 1.00 30.05 O ATOM 820 CG2 THR A 154 0.233 5.962 10.497 1.00 26.05 C ATOM 821 HA THR A 154 0.977 2.789 9.407 1.00 0.00 H ATOM 822 HB THR A 154 -0.293 4.032 11.221 1.00 0.00 H ATOM 823 HG1 THR A 154 -1.237 3.288 9.232 1.00 0.00 H ATOM 824 HG23 THR A 154 1.048 6.087 11.210 1.00 0.00 H ATOM 825 HG21 THR A 154 0.498 6.438 9.553 1.00 0.00 H ATOM 826 HG22 THR A 154 -0.673 6.420 10.895 1.00 0.00 H ATOM 827 H THR A 154 2.098 4.135 11.702 1.00 0.00 H ATOM 828 N GLU A 155 2.889 5.297 8.675 1.00 23.72 N ATOM 829 CA GLU A 155 3.595 5.940 7.562 1.00 24.34 C ATOM 830 C GLU A 155 4.486 4.991 6.776 1.00 21.90 C ATOM 831 O GLU A 155 5.000 5.366 5.715 1.00 23.65 O ATOM 832 CB GLU A 155 4.460 7.110 8.056 1.00 25.03 C ATOM 833 CG GLU A 155 3.895 8.472 7.796 1.00 30.64 C ATOM 834 CD GLU A 155 2.430 8.563 8.108 1.00 34.57 C ATOM 835 OE1 GLU A 155 1.652 8.817 7.170 1.00 36.84 O ATOM 836 OE2 GLU A 155 2.061 8.373 9.288 1.00 37.44 O ATOM 837 HA GLU A 155 2.808 6.295 6.897 1.00 0.00 H ATOM 838 HB2 GLU A 155 4.595 7.000 9.132 1.00 0.00 H ATOM 839 HB3 GLU A 155 5.429 7.046 7.561 1.00 0.00 H ATOM 840 HG2 GLU A 155 4.428 9.194 8.414 1.00 0.00 H ATOM 841 HG3 GLU A 155 4.043 8.716 6.744 1.00 0.00 H ATOM 842 H GLU A 155 3.208 5.488 9.646 1.00 0.00 H ATOM 843 N ALA A 156 4.700 3.785 7.305 1.00 19.85 N ATOM 844 CA ALA A 156 5.591 2.826 6.663 1.00 17.92 C ATOM 845 C ALA A 156 4.850 1.790 5.835 1.00 17.65 C ATOM 846 O ALA A 156 5.445 1.154 4.970 1.00 16.73 O ATOM 847 CB ALA A 156 6.472 2.125 7.696 1.00 17.24 C ATOM 848 HA ALA A 156 6.215 3.403 5.980 1.00 0.00 H ATOM 849 HB1 ALA A 156 7.074 2.866 8.221 1.00 0.00 H ATOM 850 HB2 ALA A 156 5.841 1.595 8.410 1.00 0.00 H ATOM 851 HB3 ALA A 156 7.127 1.415 7.191 1.00 0.00 H ATOM 852 H ALA A 156 4.223 3.524 8.191 1.00 0.00 H ATOM 853 N TRP A 157 3.557 1.643 6.099 1.00 17.29 N ATOM 854 CA TRP A 157 2.785 0.554 5.516 1.00 16.79 C ATOM 855 C TRP A 157 1.444 1.052 5.008 1.00 18.19 C ATOM 856 O TRP A 157 0.703 1.706 5.738 1.00 18.52 O ATOM 857 CB TRP A 157 2.558 -0.550 6.547 1.00 16.73 C ATOM 858 CG TRP A 157 3.822 -0.967 7.191 1.00 15.58 C ATOM 859 CD1 TRP A 157 4.268 -0.595 8.425 1.00 15.54 C ATOM 860 CD2 TRP A 157 4.843 -1.790 6.624 1.00 15.71 C ATOM 861 NE1 TRP A 157 5.505 -1.152 8.677 1.00 13.78 N ATOM 862 CE2 TRP A 157 5.877 -1.896 7.583 1.00 13.78 C ATOM 863 CE3 TRP A 157 4.981 -2.467 5.403 1.00 16.75 C ATOM 864 CZ2 TRP A 157 7.040 -2.641 7.349 1.00 15.37 C ATOM 865 CZ3 TRP A 157 6.133 -3.208 5.171 1.00 16.43 C ATOM 866 CH2 TRP A 157 7.151 -3.289 6.146 1.00 16.42 C ATOM 867 HA TRP A 157 3.354 0.154 4.677 1.00 0.00 H ATOM 868 HB2 TRP A 157 1.875 -0.183 7.313 1.00 0.00 H ATOM 869 HB3 TRP A 157 2.114 -1.412 6.049 1.00 0.00 H ATOM 870 HE1 TRP A 157 6.061 -1.030 9.547 1.00 0.00 H ATOM 871 HD1 TRP A 157 3.724 0.051 9.114 1.00 0.00 H ATOM 872 HZ2 TRP A 157 7.830 -2.703 8.098 1.00 0.00 H ATOM 873 HH2 TRP A 157 8.044 -3.879 5.938 1.00 0.00 H ATOM 874 HZ3 TRP A 157 6.253 -3.734 4.224 1.00 0.00 H ATOM 875 HE3 TRP A 157 4.197 -2.412 4.648 1.00 0.00 H ATOM 876 H TRP A 157 3.086 2.319 6.734 1.00 0.00 H ATOM 877 N LYS A 158 1.117 0.706 3.764 1.00 19.17 N ATOM 878 CA LYS A 158 -0.170 1.108 3.176 1.00 21.42 C ATOM 879 C LYS A 158 -1.355 0.329 3.752 1.00 21.56 C ATOM 880 O LYS A 158 -2.498 0.813 3.742 1.00 23.52 O ATOM 881 CB LYS A 158 -0.144 0.993 1.647 1.00 22.15 C ATOM 882 CG LYS A 158 0.862 1.916 0.989 1.00 23.85 C ATOM 883 CD LYS A 158 0.928 1.725 -0.524 1.00 25.58 C ATOM 884 CE LYS A 158 1.867 0.567 -0.862 1.00 27.08 C ATOM 885 NZ LYS A 158 1.792 0.186 -2.290 1.00 29.57 N ATOM 886 HA LYS A 158 -0.314 2.154 3.446 1.00 0.00 H ATOM 887 HB2 LYS A 158 0.105 -0.035 1.382 1.00 0.00 H ATOM 888 HB3 LYS A 158 -1.136 1.235 1.265 1.00 0.00 H ATOM 889 HG2 LYS A 158 0.580 2.948 1.199 1.00 0.00 H ATOM 890 HG3 LYS A 158 1.847 1.717 1.410 1.00 0.00 H ATOM 891 HD2 LYS A 158 -0.069 1.505 -0.905 1.00 0.00 H ATOM 892 HD3 LYS A 158 1.299 2.639 -0.988 1.00 0.00 H ATOM 893 HE2 LYS A 158 1.595 -0.295 -0.253 1.00 0.00 H ATOM 894 HE3 LYS A 158 2.890 0.865 -0.631 1.00 0.00 H ATOM 895 HZ1 LYS A 158 0.821 -0.107 -2.519 1.00 0.00 H ATOM 896 HZ2 LYS A 158 2.057 1.001 -2.879 1.00 0.00 H ATOM 897 HZ3 LYS A 158 2.445 -0.602 -2.472 1.00 0.00 H ATOM 898 H LYS A 158 1.783 0.142 3.199 1.00 0.00 H ATOM 899 N GLU A 159 -1.057 -0.875 4.240 1.00 20.80 N ATOM 900 CA GLU A 159 -2.002 -1.768 4.900 1.00 21.67 C ATOM 901 C GLU A 159 -1.228 -2.556 5.954 1.00 19.80 C ATOM 902 O GLU A 159 -0.027 -2.801 5.786 1.00 18.41 O ATOM 903 CB GLU A 159 -2.604 -2.762 3.900 1.00 22.96 C ATOM 904 CG GLU A 159 -3.420 -2.148 2.764 1.00 26.80 C ATOM 905 CD GLU A 159 -3.914 -3.211 1.805 1.00 28.41 C ATOM 906 OE1 GLU A 159 -3.957 -2.943 0.581 1.00 33.43 O ATOM 907 OE2 GLU A 159 -4.240 -4.327 2.280 1.00 32.13 O ATOM 908 HA GLU A 159 -2.810 -1.183 5.339 1.00 0.00 H ATOM 909 HB2 GLU A 159 -1.785 -3.328 3.456 1.00 0.00 H ATOM 910 HB3 GLU A 159 -3.255 -3.440 4.452 1.00 0.00 H ATOM 911 HG2 GLU A 159 -4.277 -1.623 3.185 1.00 0.00 H ATOM 912 HG3 GLU A 159 -2.795 -1.441 2.219 1.00 0.00 H ATOM 913 H GLU A 159 -0.075 -1.203 4.143 1.00 0.00 H ATOM 914 N GLY A 160 -1.915 -2.954 7.022 1.00 19.24 N ATOM 915 CA GLY A 160 -1.348 -3.847 8.032 1.00 17.99 C ATOM 916 C GLY A 160 -0.068 -3.356 8.698 1.00 16.77 C ATOM 917 O GLY A 160 0.938 -4.089 8.744 1.00 15.73 O ATOM 918 HA3 GLY A 160 -1.133 -4.802 7.553 1.00 0.00 H ATOM 919 HA2 GLY A 160 -2.097 -3.993 8.810 1.00 0.00 H ATOM 920 H GLY A 160 -2.892 -2.617 7.143 1.00 0.00 H ATOM 921 N PRO A 161 -0.100 -2.133 9.267 1.00 16.83 N ATOM 922 CA PRO A 161 1.103 -1.605 9.929 1.00 16.52 C ATOM 923 C PRO A 161 1.528 -2.369 11.189 1.00 16.77 C ATOM 924 O PRO A 161 2.709 -2.378 11.498 1.00 16.69 O ATOM 925 CB PRO A 161 0.713 -0.163 10.279 1.00 17.21 C ATOM 926 CG PRO A 161 -0.792 -0.179 10.372 1.00 18.07 C ATOM 927 CD PRO A 161 -1.228 -1.178 9.322 1.00 17.76 C ATOM 928 HA PRO A 161 1.970 -1.695 9.275 1.00 0.00 H ATOM 929 HD3 PRO A 161 -2.149 -1.679 9.619 1.00 0.00 H ATOM 930 HD2 PRO A 161 -1.375 -0.692 8.358 1.00 0.00 H ATOM 931 HG3 PRO A 161 -1.202 0.808 10.158 1.00 0.00 H ATOM 932 HG2 PRO A 161 -1.113 -0.497 11.364 1.00 0.00 H ATOM 933 HB2 PRO A 161 1.153 0.133 11.231 1.00 0.00 H ATOM 934 HB3 PRO A 161 1.042 0.524 9.499 1.00 0.00 H ATOM 935 N TYR A 162 0.584 -3.012 11.883 1.00 17.17 N ATOM 936 CA TYR A 162 0.887 -3.772 13.108 1.00 17.17 C ATOM 937 C TYR A 162 0.824 -5.272 12.866 1.00 16.85 C ATOM 938 O TYR A 162 0.074 -5.729 12.010 1.00 18.25 O ATOM 939 CB TYR A 162 -0.115 -3.440 14.217 1.00 18.00 C ATOM 940 CG TYR A 162 0.075 -2.094 14.888 1.00 18.29 C ATOM 941 CD1 TYR A 162 -0.511 -0.944 14.365 1.00 19.96 C ATOM 942 CD2 TYR A 162 0.831 -1.978 16.052 1.00 19.35 C ATOM 943 CE1 TYR A 162 -0.367 0.294 14.991 1.00 20.69 C ATOM 944 CE2 TYR A 162 0.993 -0.738 16.688 1.00 21.29 C ATOM 945 CZ TYR A 162 0.398 0.397 16.143 1.00 20.81 C ATOM 946 OH TYR A 162 0.550 1.637 16.756 1.00 22.25 O ATOM 947 HA TYR A 162 1.896 -3.488 13.406 1.00 0.00 H ATOM 948 HB3 TYR A 162 -0.036 -4.211 14.983 1.00 0.00 H ATOM 949 HB2 TYR A 162 -1.115 -3.461 13.784 1.00 0.00 H ATOM 950 HD2 TYR A 162 1.304 -2.864 16.475 1.00 0.00 H ATOM 951 HE2 TYR A 162 1.581 -0.663 17.603 1.00 0.00 H ATOM 952 HE1 TYR A 162 -0.854 1.177 14.576 1.00 0.00 H ATOM 953 HD1 TYR A 162 -1.095 -1.013 13.447 1.00 0.00 H ATOM 954 HH TYR A 162 0.063 2.323 16.235 1.00 0.00 H ATOM 955 H TYR A 162 -0.399 -2.974 11.546 1.00 0.00 H ATOM 956 N CYS A 163 1.614 -6.032 13.620 1.00 15.92 N ATOM 957 CA CYS A 163 1.492 -7.486 13.665 1.00 15.39 C ATOM 958 C CYS A 163 0.567 -7.849 14.817 1.00 16.19 C ATOM 959 O CYS A 163 0.157 -6.981 15.600 1.00 16.46 O ATOM 960 CB CYS A 163 2.871 -8.131 13.886 1.00 15.43 C ATOM 961 SG CYS A 163 3.490 -7.994 15.600 1.00 14.45 S ATOM 962 HA CYS A 163 1.088 -7.853 12.721 1.00 0.00 H ATOM 963 HB2 CYS A 163 3.587 -7.645 13.223 1.00 0.00 H ATOM 964 HB3 CYS A 163 2.800 -9.188 13.630 1.00 0.00 H ATOM 965 HG CYS A 163 3.603 -6.662 15.941 1.00 0.00 H ATOM 966 H CYS A 163 2.346 -5.573 14.199 1.00 0.00 H ATOM 967 N GLN A 164 0.253 -9.138 14.936 1.00 16.21 N ATOM 968 CA GLN A 164 -0.708 -9.603 15.937 1.00 17.80 C ATOM 969 C GLN A 164 -0.253 -9.366 17.363 1.00 18.38 C ATOM 970 O GLN A 164 -1.081 -9.229 18.268 1.00 19.68 O ATOM 971 CB GLN A 164 -0.995 -11.074 15.720 1.00 18.40 C ATOM 972 CG GLN A 164 -1.712 -11.317 14.414 1.00 20.88 C ATOM 973 CD GLN A 164 -2.157 -12.749 14.225 1.00 22.78 C ATOM 974 OE1 GLN A 164 -1.616 -13.681 14.839 1.00 25.35 O ATOM 975 NE2 GLN A 164 -3.164 -12.937 13.380 1.00 25.48 N ATOM 976 HA GLN A 164 -1.616 -9.015 15.803 1.00 0.00 H ATOM 977 HB2 GLN A 164 -0.052 -11.621 15.713 1.00 0.00 H ATOM 978 HB3 GLN A 164 -1.618 -11.437 16.538 1.00 0.00 H ATOM 979 HG2 GLN A 164 -2.592 -10.675 14.379 1.00 0.00 H ATOM 980 HG3 GLN A 164 -1.040 -11.054 13.597 1.00 0.00 H ATOM 981 HE22 GLN A 164 -3.587 -12.125 12.887 1.00 0.00 H ATOM 982 HE21 GLN A 164 -3.529 -13.896 13.211 1.00 0.00 H ATOM 983 H GLN A 164 0.701 -9.830 14.303 1.00 0.00 H ATOM 984 N LYS A 165 1.061 -9.340 17.550 1.00 18.24 N ATOM 985 CA LYS A 165 1.651 -9.192 18.879 1.00 19.11 C ATOM 986 C LYS A 165 1.604 -7.759 19.373 1.00 18.84 C ATOM 987 O LYS A 165 1.445 -7.515 20.569 1.00 19.82 O ATOM 988 CB LYS A 165 3.112 -9.649 18.886 1.00 19.27 C ATOM 989 CG LYS A 165 3.815 -9.310 20.208 1.00 21.80 C ATOM 990 CD LYS A 165 5.042 -10.121 20.409 1.00 25.31 C ATOM 991 CE LYS A 165 5.756 -9.741 21.698 1.00 26.64 C ATOM 992 NZ LYS A 165 7.072 -10.441 21.770 1.00 25.92 N ATOM 993 HA LYS A 165 1.055 -9.817 19.543 1.00 0.00 H ATOM 994 HB2 LYS A 165 3.144 -10.728 18.737 1.00 0.00 H ATOM 995 HB3 LYS A 165 3.639 -9.155 18.070 1.00 0.00 H ATOM 996 HG2 LYS A 165 4.087 -8.255 20.202 1.00 0.00 H ATOM 997 HG3 LYS A 165 3.127 -9.501 21.032 1.00 0.00 H ATOM 998 HD2 LYS A 165 4.767 -11.175 20.453 1.00 0.00 H ATOM 999 HD3 LYS A 165 5.717 -9.958 19.569 1.00 0.00 H ATOM 1000 HE2 LYS A 165 5.143 -10.032 22.551 1.00 0.00 H ATOM 1001 HE3 LYS A 165 5.917 -8.663 21.719 1.00 0.00 H ATOM 1002 HZ1 LYS A 165 6.918 -11.469 21.751 1.00 0.00 H ATOM 1003 HZ2 LYS A 165 7.657 -10.162 20.956 1.00 0.00 H ATOM 1004 HZ3 LYS A 165 7.555 -10.178 22.652 1.00 0.00 H ATOM 1005 H LYS A 165 1.690 -9.428 16.726 1.00 0.00 H ATOM 1006 N HIS A 166 1.777 -6.807 18.464 1.00 17.46 N ATOM 1007 CA HIS A 166 1.915 -5.416 18.879 1.00 18.01 C ATOM 1008 C HIS A 166 0.637 -4.575 18.727 1.00 18.71 C ATOM 1009 O HIS A 166 0.551 -3.482 19.290 1.00 19.80 O ATOM 1010 CB HIS A 166 3.137 -4.771 18.225 1.00 17.27 C ATOM 1011 CG HIS A 166 4.422 -5.407 18.649 1.00 15.25 C ATOM 1012 ND1 HIS A 166 5.227 -6.128 17.788 1.00 16.79 N ATOM 1013 CD2 HIS A 166 5.026 -5.454 19.862 1.00 17.03 C ATOM 1014 CE1 HIS A 166 6.274 -6.583 18.453 1.00 14.26 C ATOM 1015 NE2 HIS A 166 6.180 -6.188 19.713 1.00 16.29 N ATOM 1016 HA HIS A 166 2.083 -5.436 19.956 1.00 0.00 H ATOM 1017 HB2 HIS A 166 3.043 -4.863 17.143 1.00 0.00 H ATOM 1018 HB3 HIS A 166 3.163 -3.716 18.498 1.00 0.00 H ATOM 1019 HD2 HIS A 166 4.665 -4.996 20.783 1.00 0.00 H ATOM 1020 HE1 HIS A 166 7.081 -7.184 18.034 1.00 0.00 H ATOM 1021 H HIS A 166 1.814 -7.054 17.454 1.00 0.00 H ATOM 1022 N GLU A 167 -0.342 -5.104 17.989 1.00 19.01 N ATOM 1023 CA GLU A 167 -1.634 -4.433 17.767 1.00 20.88 C ATOM 1024 C GLU A 167 -2.360 -4.167 19.080 1.00 21.88 C ATOM 1025 O GLU A 167 -3.156 -3.220 19.190 1.00 22.38 O ATOM 1026 CB GLU A 167 -2.531 -5.275 16.837 1.00 20.71 C ATOM 1027 CG GLU A 167 -3.001 -6.617 17.434 1.00 22.31 C ATOM 1028 CD GLU A 167 -3.808 -7.506 16.475 1.00 22.50 C ATOM 1029 OE1 GLU A 167 -4.212 -7.025 15.402 1.00 22.32 O ATOM 1030 OE2 GLU A 167 -4.026 -8.700 16.804 1.00 25.05 O ATOM 1031 HA GLU A 167 -1.424 -3.474 17.292 1.00 0.00 H ATOM 1032 OXT GLU A 167 -2.175 -4.922 20.043 1.00 21.70 O ATOM 1033 HB2 GLU A 167 -3.414 -4.685 16.591 1.00 0.00 H ATOM 1034 HB3 GLU A 167 -1.972 -5.486 15.926 1.00 0.00 H ATOM 1035 HG2 GLU A 167 -2.119 -7.174 17.751 1.00 0.00 H ATOM 1036 HG3 GLU A 167 -3.625 -6.402 18.302 1.00 0.00 H ATOM 1037 H GLU A 167 -0.185 -6.034 17.550 1.00 0.00 H TER 1038 GLU A 167 HETATM 1039 ZN ZN A 1 9.430 -6.085 15.077 1.00 15.24 ZN HETATM 1040 ZN ZN A 2 5.094 -6.247 15.747 1.00 15.20 ZN HETATM 1041 ZN ZN A 3 1.788 -6.520 2.577 1.00 17.81 ZN HETATM 1042 O HOH 4 14.551 -10.136 12.378 1.00 22.16 O HETATM 1043 O HOH 5 15.590 -12.492 13.884 1.00 29.91 O HETATM 1044 O HOH 6 0.489 4.866 4.697 1.00 34.97 O HETATM 1045 O HOH 7 22.740 -3.807 16.012 1.00 24.83 O HETATM 1046 O HOH 8 -1.344 2.180 7.652 1.00 27.19 O HETATM 1047 O HOH 9 -0.408 -0.927 19.981 1.00 28.35 O HETATM 1048 O HOH 10 -4.308 -9.549 2.725 1.00 26.68 O HETATM 1049 O HOH 11 5.167 -2.270 17.060 1.00 16.63 O HETATM 1050 O HOH 12 9.827 -3.314 -0.362 1.00 30.55 O HETATM 1051 O HOH 13 10.063 5.943 5.227 1.00 22.95 O HETATM 1052 O HOH 14 17.731 -7.952 16.979 1.00 27.32 O HETATM 1053 O HOH 15 -2.437 -3.033 11.638 1.00 23.64 O HETATM 1054 O HOH 16 -4.372 -9.786 19.256 1.00 29.09 O HETATM 1055 O HOH 17 21.896 -2.862 7.198 1.00 41.81 O HETATM 1056 O HOH 18 -3.742 -2.804 14.003 1.00 24.19 O HETATM 1057 O HOH 19 -0.140 -10.209 -2.765 1.00 31.94 O HETATM 1058 O HOH 20 16.477 -3.787 20.044 1.00 31.91 O HETATM 1059 O HOH 21 0.999 -13.662 -2.353 1.00 32.04 O HETATM 1060 O HOH 22 13.848 5.761 5.319 1.00 26.74 O HETATM 1061 O HOH 23 19.272 -2.547 8.784 1.00 27.66 O HETATM 1062 O HOH 24 24.265 -10.801 15.025 1.00 26.73 O HETATM 1063 O HOH 25 10.674 -14.540 14.431 1.00 28.67 O HETATM 1064 O HOH 26 4.401 4.369 -1.671 1.00 28.84 O HETATM 1065 O HOH 27 -0.942 -4.462 22.385 1.00 30.82 O HETATM 1066 O HOH 28 24.457 -2.167 8.165 1.00 30.33 O HETATM 1067 O HOH 29 22.217 -4.086 18.670 1.00 34.75 O HETATM 1068 O HOH 30 2.530 5.653 0.173 1.00 28.75 O HETATM 1069 O HOH 31 8.812 -1.532 -2.022 1.00 37.03 O HETATM 1070 O HOH 32 7.378 -2.753 -3.976 1.00 28.89 O HETATM 1071 O HOH 33 -2.640 -0.466 18.084 1.00 37.84 O HETATM 1072 O HOH 34 -0.040 -6.799 9.511 1.00 19.03 O HETATM 1073 O HOH 35 8.528 -0.950 15.717 1.00 16.38 O HETATM 1074 O HOH 36 4.095 -11.130 15.752 1.00 17.85 O HETATM 1075 N ARG A 37 13.166 1.529 10.231 1.00 0.24 N HETATM 1076 CA ARG A 37 13.650 1.572 8.824 1.00 0.07 C HETATM 1077 C ARG A 37 15.040 0.944 8.743 1.00 0.23 C HETATM 1078 O ARG A 37 15.733 0.804 9.752 1.00 -0.39 O HETATM 1079 N ARG A 37 15.453 0.579 7.531 1.00 -0.26 N HETATM 1080 CA ARG A 37 16.803 0.057 7.313 1.00 0.13 C HETATM 1081 C ARG A 37 17.836 1.077 7.808 1.00 0.20 C HETATM 1082 O ARG A 37 17.556 2.277 7.824 1.00 -0.39 O HETATM 1083 N ARG A 37 19.008 0.598 8.242 1.00 -0.26 N HETATM 1084 CA ARG A 37 20.052 1.482 8.769 1.00 0.14 C HETATM 1085 C ARG A 37 20.316 2.673 7.848 1.00 0.21 C HETATM 1086 O ARG A 37 20.514 2.506 6.647 1.00 -0.39 O HETATM 1087 N ARG A 37 20.311 3.867 8.429 1.00 -0.27 N HETATM 1088 CA ARG A 37 20.503 5.085 7.655 1.00 0.12 C HETATM 1089 C ARG A 37 21.554 5.964 8.317 1.00 0.06 C HETATM 1090 O ARG A 37 21.970 7.009 7.750 1.00 -0.57 O HETATM 1091 O ARG A 37 22.014 5.643 9.445 1.00 -0.57 O HETATM 1092 CB ARG A 37 19.180 5.843 7.522 1.00 0.08 C HETATM 1093 OG ARG A 37 18.752 6.335 8.782 1.00 -0.39 O HETATM 1094 H40 ARG A 37 17.931 6.801 8.676 1.00 0.21 H HETATM 1095 H38 ARG A 37 18.414 5.163 7.121 1.00 0.06 H HETATM 1096 H39 ARG A 37 19.317 6.689 6.832 1.00 0.06 H HETATM 1097 H37 ARG A 37 20.855 4.812 6.649 1.00 0.07 H HETATM 1098 H36 ARG A 37 20.173 3.931 9.417 1.00 0.19 H HETATM 1099 CB ARG A 37 21.353 0.717 9.017 1.00 0.02 C HETATM 1100 CG ARG A 37 22.411 1.534 9.713 1.00 -0.04 C HETATM 1101 CD1 ARG A 37 23.614 1.819 9.075 1.00 -0.06 C HETATM 1102 CE1 ARG A 37 24.594 2.582 9.711 1.00 -0.07 C HETATM 1103 CZ ARG A 37 24.378 3.073 10.997 1.00 -0.07 C HETATM 1104 CE2 ARG A 37 23.171 2.806 11.651 1.00 -0.07 C HETATM 1105 CD2 ARG A 37 22.194 2.034 11.003 1.00 -0.06 C HETATM 1106 H32 ARG A 37 21.259 1.822 11.508 1.00 0.06 H HETATM 1107 H34 ARG A 37 22.992 3.191 12.648 1.00 0.06 H HETATM 1108 H35 ARG A 37 25.144 3.661 11.490 1.00 0.06 H HETATM 1109 H33 ARG A 37 25.527 2.794 9.202 1.00 0.06 H HETATM 1110 H31 ARG A 37 23.792 1.444 8.073 1.00 0.06 H HETATM 1111 H29 ARG A 37 21.752 0.386 8.047 1.00 0.05 H HETATM 1112 H30 ARG A 37 21.127 -0.161 9.639 1.00 0.05 H HETATM 1113 H28 ARG A 37 19.699 1.874 9.734 1.00 0.08 H HETATM 1114 H27 ARG A 37 19.176 -0.387 8.206 1.00 0.19 H HETATM 1115 CB ARG A 37 17.021 -0.334 5.831 1.00 -0.00 C HETATM 1116 CG1 ARG A 37 16.067 -1.480 5.448 1.00 -0.05 C HETATM 1117 CD1 ARG A 37 16.251 -2.047 4.023 1.00 -0.06 C HETATM 1118 H24 ARG A 37 15.525 -2.855 3.853 1.00 0.02 H HETATM 1119 H25 ARG A 37 17.272 -2.443 3.915 1.00 0.02 H HETATM 1120 H26 ARG A 37 16.088 -1.247 3.286 1.00 0.02 H HETATM 1121 H19 ARG A 37 15.036 -1.106 5.534 1.00 0.03 H HETATM 1122 H20 ARG A 37 16.220 -2.302 6.163 1.00 0.03 H HETATM 1123 CG2 ARG A 37 18.479 -0.729 5.577 1.00 -0.06 C HETATM 1124 H21 ARG A 37 19.139 0.105 5.858 1.00 0.02 H HETATM 1125 H22 ARG A 37 18.616 -0.961 4.511 1.00 0.02 H HETATM 1126 H23 ARG A 37 18.730 -1.614 6.180 1.00 0.02 H HETATM 1127 H18 ARG A 37 16.787 0.538 5.203 1.00 0.03 H HETATM 1128 H17 ARG A 37 16.917 -0.856 7.916 1.00 0.08 H HETATM 1129 H16 ARG A 37 14.829 0.663 6.754 1.00 0.19 H HETATM 1130 CB ARG A 37 13.702 3.022 8.305 1.00 0.01 C HETATM 1131 CG ARG A 37 12.410 3.837 8.493 1.00 -0.01 C HETATM 1132 CD ARG A 37 11.285 3.327 7.593 1.00 0.06 C HETATM 1133 NE ARG A 37 10.196 4.302 7.509 1.00 -0.27 N HETATM 1134 CZ ARG A 37 9.308 4.543 8.471 1.00 0.29 C HETATM 1135 NH1 ARG A 37 9.332 3.878 9.628 1.00 -0.28 N HETATM 1136 H12 ARG A 37 8.633 4.085 10.355 1.00 0.26 H HETATM 1137 H13 ARG A 37 10.050 3.158 9.793 1.00 0.26 H HETATM 1138 NH2 ARG A 37 8.379 5.479 8.275 1.00 -0.28 N HETATM 1139 H14 ARG A 37 8.351 5.998 7.386 1.00 0.26 H HETATM 1140 H15 ARG A 37 7.689 5.683 9.012 1.00 0.26 H HETATM 1141 H11 ARG A 37 10.110 4.844 6.637 1.00 0.26 H HETATM 1142 H9 ARG A 37 10.893 2.385 8.005 1.00 0.07 H HETATM 1143 H10 ARG A 37 11.685 3.147 6.584 1.00 0.07 H HETATM 1144 H7 ARG A 37 12.614 4.890 8.248 1.00 0.03 H HETATM 1145 H8 ARG A 37 12.089 3.760 9.543 1.00 0.03 H HETATM 1146 H5 ARG A 37 13.929 2.990 7.229 1.00 0.03 H HETATM 1147 H6 ARG A 37 14.512 3.543 8.835 1.00 0.03 H HETATM 1148 H4 ARG A 37 12.958 0.995 8.193 1.00 0.11 H HETATM 1149 H1 ARG A 37 12.249 1.944 10.284 1.00 0.20 H HETATM 1150 H2 ARG A 37 13.801 2.043 10.821 1.00 0.20 H HETATM 1151 H3 ARG A 37 13.120 0.571 10.541 1.00 0.20 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 27 26 31 1039 CONECT 225 224 229 1041 CONECT 272 271 276 1041 CONECT 395 394 399 1039 CONECT 438 437 442 1039 1040 CONECT 526 525 528 1041 CONECT 578 577 580 1041 CONECT 766 765 770 1039 CONECT 789 788 793 1040 CONECT 961 960 965 1040 CONECT 1012 1011 1014 1040 CONECT 1039 27 395 438 766 CONECT 1040 438 789 961 1012 CONECT 1041 225 272 526 578 CONECT 1075 1076 1149 1150 1151 CONECT 1076 1075 1077 1130 1148 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1129 CONECT 1080 1079 1081 1115 1128 CONECT 1081 1080 1082 1083 CONECT 1082 1081 CONECT 1083 1081 1084 1114 CONECT 1084 1083 1085 1099 1113 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1098 CONECT 1088 1087 1089 1092 1097 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 CONECT 1092 1088 1093 1095 1096 CONECT 1093 1092 1094 CONECT 1094 1093 CONECT 1095 1092 CONECT 1096 1092 CONECT 1097 1088 CONECT 1098 1087 CONECT 1099 1084 1100 1111 1112 CONECT 1100 1099 1101 1105 CONECT 1101 1100 1102 1110 CONECT 1102 1101 1103 1109 CONECT 1103 1102 1104 1108 CONECT 1104 1103 1105 1107 CONECT 1105 1100 1104 1106 CONECT 1106 1105 CONECT 1107 1104 CONECT 1108 1103 CONECT 1109 1102 CONECT 1110 1101 CONECT 1111 1099 CONECT 1112 1099 CONECT 1113 1084 CONECT 1114 1083 CONECT 1115 1080 1116 1123 1127 CONECT 1116 1115 1117 1121 1122 CONECT 1117 1116 1118 1119 1120 CONECT 1118 1117 CONECT 1119 1117 CONECT 1120 1117 CONECT 1121 1116 CONECT 1122 1116 CONECT 1123 1115 1124 1125 1126 CONECT 1124 1123 CONECT 1125 1123 CONECT 1126 1123 CONECT 1127 1115 CONECT 1128 1080 CONECT 1129 1079 CONECT 1130 1076 1131 1146 1147 CONECT 1131 1130 1132 1144 1145 CONECT 1132 1131 1133 1142 1143 CONECT 1133 1132 1134 1141 CONECT 1134 1133 1135 1138 CONECT 1135 1134 1136 1137 CONECT 1136 1135 CONECT 1137 1135 CONECT 1138 1134 1139 1140 CONECT 1139 1138 CONECT 1140 1138 CONECT 1141 1133 CONECT 1142 1132 CONECT 1143 1132 CONECT 1144 1131 CONECT 1145 1131 CONECT 1146 1130 CONECT 1147 1130 CONECT 1148 1076 CONECT 1149 1075 CONECT 1150 1075 CONECT 1151 1075 MASTER 0 0 0 0 0 0 0 0 1150 1 95 6 END
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Entry Information
PDB ID
3ny3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ubr-box of E3 ubiquitin-protein ligase UBR2
Ligand Name
4-mer
EC.Number
E.C.6.3.2.19
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=19.3uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Nat.Struct.Mol.Biol. Vol. 17: pp. 1182-1187
Ligand Properties
Formula
C
2
4
H
4
1
N
7
O
6
Molecular Weight
523.626
Exact Mass
523.312
No. of atoms
78
No. of bonds
78
Polar Surface Area
238.48
LOGP Value
-0.11 (
Computed with XLOGP3
)
-1.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 1
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)Cc1ccccc1)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])C
InChI String
InChI=1S/C24H39N7O6/c1-3-14(2)19(31-20(33)16(25)10-7-11-28-24(26)27)22(35)29-17(12-15-8-5-4-6-9-15)21(34)30-18(13-32)23(36)37/h4-6,8-9,14,16-19,32H,3,7,10-13,25H2,1-2H3,(H,29,35)(H,30,34)(H,31,33)(H,36,37)(H4,26,27,28)/p+2/t14-,16-,17-,18-,19-/m0/s1
Links to External Databases
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8IWV8
Entrez Gene ID
NCBI Entrez Gene ID:
23304
ASD
Information of known allosteric effects of PDB entries
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