Browse entries in the PDBbind-CN Database
HEADER 3EQY_COMPLEX COMPND 3EQY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 84 ASN GLN VAL ARG PRO LYS LEU PRO LEU LEU LYS ILE LEU SEQRES 2 A 84 HIS ALA ALA GLY ALA GLN GLY GLU MET PHE THR VAL LYS SEQRES 3 A 84 GLU VAL MET HIS TYR LEU GLY GLN TYR ILE MET VAL LYS SEQRES 4 A 84 GLN LEU TYR ASP ALA ALA ALA GLN HIS MET VAL TYR CYS SEQRES 5 A 84 GLY GLY ASP LEU LEU GLY GLU LEU LEU GLY ARG GLN SER SEQRES 6 A 84 PHE SER VAL LYS ASP PRO SER PRO LEU TYR ASP MET LEU SEQRES 7 A 84 ARG LYS ASN LEU VAL THR HET THR A 215 195 ATOM 1 N ASN A 25 -1.675 33.670 12.764 1.00 21.45 N ATOM 2 CA ASN A 25 -0.663 33.227 11.747 1.00 19.28 C ATOM 3 C ASN A 25 -1.306 32.412 10.644 1.00 18.06 C ATOM 4 O ASN A 25 -2.307 31.711 10.853 1.00 18.35 O ATOM 5 CB ASN A 25 0.417 32.329 12.368 1.00 21.07 C ATOM 6 CG ASN A 25 1.458 33.113 13.149 1.00 22.14 C ATOM 7 OD1 ASN A 25 1.506 34.337 13.080 1.00 24.68 O ATOM 8 ND2 ASN A 25 2.340 32.398 13.842 1.00 24.44 N ATOM 9 HA ASN A 25 -0.225 34.145 11.355 1.00 0.00 H ATOM 10 HB2 ASN A 25 -0.064 31.621 13.043 1.00 0.00 H ATOM 11 HB3 ASN A 25 0.919 31.784 11.569 1.00 0.00 H ATOM 12 HD22 ASN A 25 2.260 31.362 13.872 1.00 0.00 H ATOM 13 HD21 ASN A 25 3.109 32.875 14.353 1.00 0.00 H ATOM 14 HN3 ASN A 25 -2.125 32.835 13.190 1.00 0.00 H ATOM 15 HN2 ASN A 25 -2.398 34.256 12.299 1.00 0.00 H ATOM 16 HN1 ASN A 25 -1.200 34.225 13.504 1.00 0.00 H ATOM 17 N GLN A 26 -0.719 32.544 9.453 1.00 16.43 N ATOM 18 CA GLN A 26 -1.241 31.818 8.266 1.00 14.19 C ATOM 19 C GLN A 26 -0.310 30.677 7.914 1.00 14.27 C ATOM 20 O GLN A 26 0.897 30.664 8.251 1.00 17.14 O ATOM 21 CB GLN A 26 -1.334 32.742 7.046 1.00 13.79 C ATOM 22 CG GLN A 26 -2.368 33.903 7.191 1.00 14.34 C ATOM 23 CD GLN A 26 -2.439 34.680 5.931 1.00 17.47 C ATOM 24 OE1 GLN A 26 -1.395 35.143 5.440 1.00 20.41 O ATOM 25 NE2 GLN A 26 -3.666 34.890 5.395 1.00 17.70 N ATOM 26 HA GLN A 26 -2.235 31.448 8.518 1.00 0.00 H ATOM 27 HB2 GLN A 26 -0.351 33.181 6.875 1.00 0.00 H ATOM 28 HB3 GLN A 26 -1.617 32.139 6.183 1.00 0.00 H ATOM 29 HG2 GLN A 26 -3.350 33.486 7.414 1.00 0.00 H ATOM 30 HG3 GLN A 26 -2.061 34.561 8.004 1.00 0.00 H ATOM 31 HE22 GLN A 26 -4.508 34.479 5.846 1.00 0.00 H ATOM 32 HE21 GLN A 26 -3.766 35.462 4.532 1.00 0.00 H ATOM 33 H GLN A 26 0.112 33.161 9.354 1.00 0.00 H ATOM 34 N VAL A 27 -0.890 29.691 7.253 1.00 11.57 N ATOM 35 CA VAL A 27 -0.174 28.548 6.642 1.00 12.05 C ATOM 36 C VAL A 27 -0.469 28.568 5.159 1.00 11.81 C ATOM 37 O VAL A 27 -1.427 29.202 4.688 1.00 11.42 O ATOM 38 CB VAL A 27 -0.604 27.216 7.237 1.00 12.16 C ATOM 39 CG1 VAL A 27 -0.288 27.214 8.763 1.00 15.07 C ATOM 40 CG2 VAL A 27 -2.081 26.919 7.023 1.00 11.94 C ATOM 41 HA VAL A 27 0.893 28.649 6.838 1.00 0.00 H ATOM 42 HB VAL A 27 -0.046 26.434 6.722 1.00 0.00 H ATOM 43 HG11 VAL A 27 0.783 27.354 8.911 1.00 0.00 H ATOM 44 HG12 VAL A 27 -0.832 28.025 9.247 1.00 0.00 H ATOM 45 HG13 VAL A 27 -0.594 26.261 9.195 1.00 0.00 H ATOM 46 HG21 VAL A 27 -2.679 27.700 7.492 1.00 0.00 H ATOM 47 HG22 VAL A 27 -2.293 26.889 5.954 1.00 0.00 H ATOM 48 HG23 VAL A 27 -2.325 25.955 7.470 1.00 0.00 H ATOM 49 H VAL A 27 -1.925 29.720 7.155 1.00 0.00 H ATOM 50 N ARG A 28 0.395 27.879 4.408 1.00 11.83 N ATOM 51 CA ARG A 28 0.237 27.802 2.955 1.00 10.10 C ATOM 52 C ARG A 28 -0.058 26.348 2.585 1.00 10.30 C ATOM 53 O ARG A 28 0.796 25.477 2.675 1.00 10.76 O ATOM 54 CB ARG A 28 1.532 28.252 2.262 1.00 10.85 C ATOM 55 CG ARG A 28 1.431 28.126 0.716 1.00 11.59 C ATOM 56 CD ARG A 28 2.580 28.805 -0.027 1.00 11.40 C ATOM 57 NE ARG A 28 3.874 28.304 0.491 1.00 13.71 N ATOM 58 CZ ARG A 28 4.432 27.138 0.227 1.00 13.06 C ATOM 59 NH1 ARG A 28 3.804 26.240 -0.568 1.00 11.47 N ATOM 60 NH2 ARG A 28 5.623 26.827 0.808 1.00 13.84 N ATOM 61 HA ARG A 28 -0.577 28.452 2.633 1.00 0.00 H ATOM 62 HB2 ARG A 28 1.728 29.293 2.520 1.00 0.00 H ATOM 63 HB3 ARG A 28 2.356 27.631 2.614 1.00 0.00 H ATOM 64 HG2 ARG A 28 1.429 27.068 0.455 1.00 0.00 H ATOM 65 HG3 ARG A 28 0.494 28.581 0.393 1.00 0.00 H ATOM 66 HD2 ARG A 28 2.522 29.883 0.123 1.00 0.00 H ATOM 67 HD3 ARG A 28 2.505 28.583 -1.092 1.00 0.00 H ATOM 68 HE ARG A 28 4.397 28.937 1.129 1.00 0.00 H ATOM 69 HH12 ARG A 28 4.251 25.323 -0.771 1.00 0.00 H ATOM 70 HH11 ARG A 28 2.875 26.467 -0.976 1.00 0.00 H ATOM 71 HH22 ARG A 28 6.075 25.912 0.610 1.00 0.00 H ATOM 72 HH21 ARG A 28 6.081 27.505 1.450 1.00 0.00 H ATOM 73 H ARG A 28 1.192 27.390 4.863 1.00 0.00 H ATOM 74 N PRO A 29 -1.287 26.063 2.122 1.00 10.27 N ATOM 75 CA PRO A 29 -1.578 24.690 1.677 1.00 9.73 C ATOM 76 C PRO A 29 -0.747 24.339 0.442 1.00 9.39 C ATOM 77 O PRO A 29 -0.647 25.139 -0.523 1.00 9.87 O ATOM 78 CB PRO A 29 -3.087 24.752 1.355 1.00 10.43 C ATOM 79 CG PRO A 29 -3.621 25.856 2.274 1.00 10.17 C ATOM 80 CD PRO A 29 -2.503 26.883 2.282 1.00 10.15 C ATOM 81 HA PRO A 29 -1.334 23.924 2.413 1.00 0.00 H ATOM 82 HD3 PRO A 29 -2.612 27.586 1.456 1.00 0.00 H ATOM 83 HD2 PRO A 29 -2.483 27.432 3.224 1.00 0.00 H ATOM 84 HG3 PRO A 29 -3.805 25.473 3.278 1.00 0.00 H ATOM 85 HG2 PRO A 29 -4.541 26.284 1.875 1.00 0.00 H ATOM 86 HB2 PRO A 29 -3.249 25.008 0.308 1.00 0.00 H ATOM 87 HB3 PRO A 29 -3.569 23.799 1.574 1.00 0.00 H ATOM 88 N LYS A 30 -0.260 23.093 0.438 1.00 9.16 N ATOM 89 CA LYS A 30 0.354 22.570 -0.780 1.00 10.20 C ATOM 90 C LYS A 30 -0.705 22.299 -1.858 1.00 10.36 C ATOM 91 O LYS A 30 -1.897 22.202 -1.597 1.00 10.42 O ATOM 92 CB LYS A 30 1.108 21.273 -0.482 1.00 9.71 C ATOM 93 CG LYS A 30 2.336 21.532 0.335 1.00 11.70 C ATOM 94 CD LYS A 30 3.246 20.314 0.417 1.00 11.34 C ATOM 95 CE LYS A 30 4.516 20.739 1.217 1.00 13.47 C ATOM 96 NZ LYS A 30 5.645 19.752 0.885 1.00 17.07 N ATOM 97 HA LYS A 30 1.051 23.323 -1.149 1.00 0.00 H ATOM 98 HB2 LYS A 30 0.451 20.599 0.068 1.00 0.00 H ATOM 99 HB3 LYS A 30 1.399 20.807 -1.423 1.00 0.00 H ATOM 100 HG2 LYS A 30 2.891 22.354 -0.117 1.00 0.00 H ATOM 101 HG3 LYS A 30 2.033 21.812 1.344 1.00 0.00 H ATOM 102 HD2 LYS A 30 2.735 19.500 0.932 1.00 0.00 H ATOM 103 HD3 LYS A 30 3.527 19.989 -0.585 1.00 0.00 H ATOM 104 HE2 LYS A 30 4.305 20.713 2.286 1.00 0.00 H ATOM 105 HE3 LYS A 30 4.812 21.748 0.931 1.00 0.00 H ATOM 106 HZ1 LYS A 30 5.355 18.791 1.158 1.00 0.00 H ATOM 107 HZ2 LYS A 30 5.839 19.780 -0.136 1.00 0.00 H ATOM 108 HZ3 LYS A 30 6.502 20.019 1.410 1.00 0.00 H ATOM 109 H LYS A 30 -0.318 22.503 1.293 1.00 0.00 H ATOM 110 N LEU A 31 -0.239 22.262 -3.100 1.00 9.45 N ATOM 111 CA LEU A 31 -1.174 22.313 -4.262 1.00 9.91 C ATOM 112 C LEU A 31 -2.356 21.309 -4.189 1.00 11.21 C ATOM 113 O LEU A 31 -3.480 21.672 -4.528 1.00 10.83 O ATOM 114 CB LEU A 31 -0.410 22.119 -5.587 1.00 9.96 C ATOM 115 CG LEU A 31 0.594 23.220 -5.915 1.00 10.70 C ATOM 116 CD1 LEU A 31 1.164 22.891 -7.320 1.00 12.02 C ATOM 117 CD2 LEU A 31 -0.027 24.623 -5.808 1.00 13.72 C ATOM 118 HA LEU A 31 -1.619 23.307 -4.220 1.00 0.00 H ATOM 119 HB2 LEU A 31 0.129 21.173 -5.532 1.00 0.00 H ATOM 120 HB3 LEU A 31 -1.139 22.073 -6.396 1.00 0.00 H ATOM 121 HG LEU A 31 1.406 23.245 -5.189 1.00 0.00 H ATOM 122 HD21 LEU A 31 -0.860 24.704 -6.506 1.00 0.00 H ATOM 123 HD22 LEU A 31 -0.386 24.783 -4.791 1.00 0.00 H ATOM 124 HD23 LEU A 31 0.727 25.372 -6.051 1.00 0.00 H ATOM 125 HD11 LEU A 31 1.649 21.915 -7.295 1.00 0.00 H ATOM 126 HD12 LEU A 31 0.351 22.875 -8.046 1.00 0.00 H ATOM 127 HD13 LEU A 31 1.891 23.652 -7.603 1.00 0.00 H ATOM 128 H LEU A 31 0.786 22.197 -3.265 1.00 0.00 H ATOM 129 N PRO A 32 -2.133 20.024 -3.805 1.00 10.08 N ATOM 130 CA PRO A 32 -3.276 19.056 -3.843 1.00 10.54 C ATOM 131 C PRO A 32 -4.373 19.414 -2.822 1.00 9.92 C ATOM 132 O PRO A 32 -5.567 19.318 -3.131 1.00 11.02 O ATOM 133 CB PRO A 32 -2.591 17.713 -3.482 1.00 11.06 C ATOM 134 CG PRO A 32 -1.096 17.946 -3.852 1.00 13.53 C ATOM 135 CD PRO A 32 -0.837 19.380 -3.501 1.00 11.84 C ATOM 136 HA PRO A 32 -3.790 19.043 -4.804 1.00 0.00 H ATOM 137 HD3 PRO A 32 -0.581 19.488 -2.447 1.00 0.00 H ATOM 138 HD2 PRO A 32 -0.037 19.797 -4.112 1.00 0.00 H ATOM 139 HG3 PRO A 32 -0.932 17.774 -4.916 1.00 0.00 H ATOM 140 HG2 PRO A 32 -0.449 17.286 -3.274 1.00 0.00 H ATOM 141 HB2 PRO A 32 -2.699 17.495 -2.419 1.00 0.00 H ATOM 142 HB3 PRO A 32 -3.012 16.893 -4.064 1.00 0.00 H ATOM 143 N LEU A 33 -3.961 19.904 -1.656 1.00 10.07 N ATOM 144 CA LEU A 33 -4.958 20.339 -0.658 1.00 10.30 C ATOM 145 C LEU A 33 -5.541 21.695 -1.085 1.00 10.88 C ATOM 146 O LEU A 33 -6.758 21.922 -0.908 1.00 12.13 O ATOM 147 CB LEU A 33 -4.319 20.443 0.737 1.00 10.99 C ATOM 148 CG LEU A 33 -5.292 20.925 1.822 1.00 10.01 C ATOM 149 CD1 LEU A 33 -6.519 19.994 2.000 1.00 11.35 C ATOM 150 CD2 LEU A 33 -4.517 20.911 3.147 1.00 13.18 C ATOM 151 HA LEU A 33 -5.759 19.601 -0.605 1.00 0.00 H ATOM 152 HB2 LEU A 33 -3.946 19.459 1.020 1.00 0.00 H ATOM 153 HB3 LEU A 33 -3.486 21.144 0.684 1.00 0.00 H ATOM 154 HG LEU A 33 -5.662 21.909 1.533 1.00 0.00 H ATOM 155 HD21 LEU A 33 -4.174 19.897 3.355 1.00 0.00 H ATOM 156 HD22 LEU A 33 -3.658 21.578 3.071 1.00 0.00 H ATOM 157 HD23 LEU A 33 -5.170 21.248 3.952 1.00 0.00 H ATOM 158 HD11 LEU A 33 -7.072 19.940 1.062 1.00 0.00 H ATOM 159 HD12 LEU A 33 -6.179 18.997 2.281 1.00 0.00 H ATOM 160 HD13 LEU A 33 -7.166 20.393 2.782 1.00 0.00 H ATOM 161 H LEU A 33 -2.945 19.980 -1.449 1.00 0.00 H ATOM 162 N LEU A 34 -4.702 22.606 -1.612 1.00 10.18 N ATOM 163 CA LEU A 34 -5.232 23.888 -2.034 1.00 10.78 C ATOM 164 C LEU A 34 -6.385 23.706 -3.047 1.00 10.12 C ATOM 165 O LEU A 34 -7.354 24.484 -2.985 1.00 10.28 O ATOM 166 CB LEU A 34 -4.089 24.690 -2.658 1.00 10.42 C ATOM 167 CG LEU A 34 -4.491 26.092 -3.126 1.00 9.38 C ATOM 168 CD1 LEU A 34 -4.845 26.957 -1.919 1.00 11.06 C ATOM 169 CD2 LEU A 34 -3.269 26.649 -3.885 1.00 12.15 C ATOM 170 HA LEU A 34 -5.640 24.419 -1.174 1.00 0.00 H ATOM 171 HB2 LEU A 34 -3.296 24.791 -1.917 1.00 0.00 H ATOM 172 HB3 LEU A 34 -3.712 24.137 -3.518 1.00 0.00 H ATOM 173 HG LEU A 34 -5.369 26.079 -3.771 1.00 0.00 H ATOM 174 HD21 LEU A 34 -2.412 26.687 -3.213 1.00 0.00 H ATOM 175 HD22 LEU A 34 -3.041 26.000 -4.730 1.00 0.00 H ATOM 176 HD23 LEU A 34 -3.494 27.653 -4.246 1.00 0.00 H ATOM 177 HD11 LEU A 34 -5.677 26.503 -1.380 1.00 0.00 H ATOM 178 HD12 LEU A 34 -3.980 27.030 -1.260 1.00 0.00 H ATOM 179 HD13 LEU A 34 -5.130 27.953 -2.258 1.00 0.00 H ATOM 180 H LEU A 34 -3.689 22.394 -1.715 1.00 0.00 H ATOM 181 N LYS A 35 -6.276 22.731 -3.982 1.00 9.80 N ATOM 182 CA LYS A 35 -7.338 22.529 -5.003 1.00 9.89 C ATOM 183 C LYS A 35 -8.655 22.180 -4.317 1.00 10.17 C ATOM 184 O LYS A 35 -9.732 22.675 -4.719 1.00 10.73 O ATOM 185 CB LYS A 35 -6.917 21.421 -5.977 1.00 10.24 C ATOM 186 CG LYS A 35 -7.943 21.266 -7.135 1.00 10.35 C ATOM 187 CD LYS A 35 -7.880 22.438 -8.114 1.00 14.65 C ATOM 188 CE LYS A 35 -8.803 22.163 -9.284 1.00 20.99 C ATOM 189 NZ LYS A 35 -8.594 23.237 -10.337 1.00 25.10 N ATOM 190 HA LYS A 35 -7.479 23.450 -5.569 1.00 0.00 H ATOM 191 HB2 LYS A 35 -5.942 21.669 -6.397 1.00 0.00 H ATOM 192 HB3 LYS A 35 -6.849 20.478 -5.434 1.00 0.00 H ATOM 193 HG2 LYS A 35 -7.729 20.344 -7.675 1.00 0.00 H ATOM 194 HG3 LYS A 35 -8.946 21.213 -6.712 1.00 0.00 H ATOM 195 HD2 LYS A 35 -8.194 23.352 -7.609 1.00 0.00 H ATOM 196 HD3 LYS A 35 -6.859 22.556 -8.476 1.00 0.00 H ATOM 197 HE2 LYS A 35 -9.839 22.179 -8.945 1.00 0.00 H ATOM 198 HE3 LYS A 35 -8.576 21.185 -9.708 1.00 0.00 H ATOM 199 HZ1 LYS A 35 -8.811 24.168 -9.928 1.00 0.00 H ATOM 200 HZ2 LYS A 35 -7.605 23.219 -10.657 1.00 0.00 H ATOM 201 HZ3 LYS A 35 -9.224 23.056 -11.145 1.00 0.00 H ATOM 202 H LYS A 35 -5.438 22.115 -3.985 1.00 0.00 H ATOM 203 N ILE A 36 -8.540 21.339 -3.290 1.00 9.83 N ATOM 204 CA ILE A 36 -9.737 20.956 -2.504 1.00 10.11 C ATOM 205 C ILE A 36 -10.336 22.183 -1.822 1.00 10.59 C ATOM 206 O ILE A 36 -11.568 22.376 -1.866 1.00 11.23 O ATOM 207 CB ILE A 36 -9.332 19.870 -1.530 1.00 10.91 C ATOM 208 CG1 ILE A 36 -9.045 18.578 -2.305 1.00 11.18 C ATOM 209 CG2 ILE A 36 -10.436 19.590 -0.479 1.00 12.13 C ATOM 210 CD1 ILE A 36 -8.286 17.539 -1.403 1.00 12.94 C ATOM 211 HA ILE A 36 -10.522 20.559 -3.148 1.00 0.00 H ATOM 212 HB ILE A 36 -8.442 20.213 -1.002 1.00 0.00 H ATOM 213 HG12 ILE A 36 -9.988 18.143 -2.635 1.00 0.00 H ATOM 214 HG13 ILE A 36 -8.431 18.812 -3.174 1.00 0.00 H ATOM 215 HD11 ILE A 36 -7.340 17.968 -1.074 1.00 0.00 H ATOM 216 HD12 ILE A 36 -8.899 17.298 -0.534 1.00 0.00 H ATOM 217 HD13 ILE A 36 -8.095 16.632 -1.977 1.00 0.00 H ATOM 218 HG21 ILE A 36 -10.635 20.499 0.088 1.00 0.00 H ATOM 219 HG22 ILE A 36 -11.346 19.270 -0.986 1.00 0.00 H ATOM 220 HG23 ILE A 36 -10.101 18.804 0.198 1.00 0.00 H ATOM 221 H ILE A 36 -7.608 20.950 -3.039 1.00 0.00 H ATOM 222 N LEU A 37 -9.507 23.005 -1.177 1.00 11.17 N ATOM 223 CA LEU A 37 -10.061 24.186 -0.524 1.00 11.21 C ATOM 224 C LEU A 37 -10.702 25.140 -1.522 1.00 11.70 C ATOM 225 O LEU A 37 -11.769 25.679 -1.267 1.00 11.20 O ATOM 226 CB LEU A 37 -8.995 24.946 0.244 1.00 10.70 C ATOM 227 CG LEU A 37 -8.201 24.055 1.213 1.00 11.02 C ATOM 228 CD1 LEU A 37 -7.148 24.890 1.948 1.00 14.85 C ATOM 229 CD2 LEU A 37 -9.090 23.366 2.295 1.00 12.50 C ATOM 230 HA LEU A 37 -10.823 23.820 0.164 1.00 0.00 H ATOM 231 HB2 LEU A 37 -8.300 25.387 -0.471 1.00 0.00 H ATOM 232 HB3 LEU A 37 -9.478 25.738 0.817 1.00 0.00 H ATOM 233 HG LEU A 37 -7.748 23.279 0.596 1.00 0.00 H ATOM 234 HD21 LEU A 37 -9.593 24.129 2.890 1.00 0.00 H ATOM 235 HD22 LEU A 37 -9.833 22.736 1.806 1.00 0.00 H ATOM 236 HD23 LEU A 37 -8.463 22.754 2.943 1.00 0.00 H ATOM 237 HD11 LEU A 37 -6.464 25.331 1.222 1.00 0.00 H ATOM 238 HD12 LEU A 37 -7.642 25.682 2.511 1.00 0.00 H ATOM 239 HD13 LEU A 37 -6.591 24.250 2.632 1.00 0.00 H ATOM 240 H LEU A 37 -8.486 22.808 -1.140 1.00 0.00 H ATOM 241 N HIS A 38 -10.076 25.319 -2.682 1.00 10.72 N ATOM 242 CA HIS A 38 -10.655 26.148 -3.736 1.00 10.92 C ATOM 243 C HIS A 38 -11.992 25.587 -4.217 1.00 11.43 C ATOM 244 O HIS A 38 -12.912 26.370 -4.544 1.00 12.77 O ATOM 245 CB HIS A 38 -9.651 26.321 -4.896 1.00 10.89 C ATOM 246 CG HIS A 38 -8.541 27.279 -4.553 1.00 12.46 C ATOM 247 ND1 HIS A 38 -7.329 27.303 -5.226 1.00 15.06 N ATOM 248 CD2 HIS A 38 -8.462 28.262 -3.615 1.00 15.10 C ATOM 249 CE1 HIS A 38 -6.559 28.270 -4.732 1.00 15.71 C ATOM 250 NE2 HIS A 38 -7.226 28.864 -3.750 1.00 12.49 N ATOM 251 HA HIS A 38 -10.861 27.135 -3.322 1.00 0.00 H ATOM 252 HB2 HIS A 38 -9.216 25.350 -5.131 1.00 0.00 H ATOM 253 HB3 HIS A 38 -10.184 26.700 -5.768 1.00 0.00 H ATOM 254 HD2 HIS A 38 -9.232 28.526 -2.890 1.00 0.00 H ATOM 255 HE1 HIS A 38 -5.557 28.529 -5.074 1.00 0.00 H ATOM 256 H HIS A 38 -9.157 24.860 -2.842 1.00 0.00 H ATOM 257 N ALA A 39 -12.093 24.264 -4.258 1.00 12.28 N ATOM 258 CA ALA A 39 -13.330 23.628 -4.732 1.00 12.22 C ATOM 259 C ALA A 39 -14.469 23.935 -3.796 1.00 13.52 C ATOM 260 O ALA A 39 -15.642 23.887 -4.223 1.00 15.79 O ATOM 261 CB ALA A 39 -13.140 22.122 -4.863 1.00 13.78 C ATOM 262 HA ALA A 39 -13.571 24.031 -5.716 1.00 0.00 H ATOM 263 HB1 ALA A 39 -12.341 21.919 -5.576 1.00 0.00 H ATOM 264 HB2 ALA A 39 -12.877 21.704 -3.891 1.00 0.00 H ATOM 265 HB3 ALA A 39 -14.067 21.669 -5.215 1.00 0.00 H ATOM 266 H ALA A 39 -11.292 23.674 -3.953 1.00 0.00 H ATOM 267 N ALA A 40 -14.136 24.245 -2.546 1.00 13.31 N ATOM 268 CA ALA A 40 -15.132 24.606 -1.516 1.00 13.60 C ATOM 269 C ALA A 40 -15.284 26.107 -1.386 1.00 14.99 C ATOM 270 O ALA A 40 -15.870 26.624 -0.404 1.00 17.19 O ATOM 271 CB ALA A 40 -14.707 24.018 -0.160 1.00 14.96 C ATOM 272 HA ALA A 40 -16.093 24.194 -1.822 1.00 0.00 H ATOM 273 HB1 ALA A 40 -14.644 22.933 -0.240 1.00 0.00 H ATOM 274 HB2 ALA A 40 -13.733 24.420 0.120 1.00 0.00 H ATOM 275 HB3 ALA A 40 -15.443 24.286 0.598 1.00 0.00 H ATOM 276 H ALA A 40 -13.130 24.233 -2.282 1.00 0.00 H ATOM 277 N GLY A 41 -14.695 26.850 -2.308 1.00 13.41 N ATOM 278 CA GLY A 41 -14.914 28.302 -2.284 1.00 14.34 C ATOM 279 C GLY A 41 -13.837 29.145 -1.678 1.00 14.51 C ATOM 280 O GLY A 41 -13.981 30.392 -1.636 1.00 15.09 O ATOM 281 HA3 GLY A 41 -15.830 28.487 -1.723 1.00 0.00 H ATOM 282 HA2 GLY A 41 -15.048 28.631 -3.315 1.00 0.00 H ATOM 283 H GLY A 41 -14.090 26.416 -3.034 1.00 0.00 H ATOM 284 N ALA A 42 -12.759 28.529 -1.201 1.00 13.37 N ATOM 285 CA ALA A 42 -11.669 29.339 -0.626 1.00 13.27 C ATOM 286 C ALA A 42 -11.045 30.167 -1.738 1.00 13.97 C ATOM 287 O ALA A 42 -11.006 29.722 -2.906 1.00 15.75 O ATOM 288 CB ALA A 42 -10.615 28.460 -0.031 1.00 13.68 C ATOM 289 HA ALA A 42 -12.076 29.980 0.157 1.00 0.00 H ATOM 290 HB1 ALA A 42 -11.055 27.850 0.758 1.00 0.00 H ATOM 291 HB2 ALA A 42 -10.203 27.813 -0.806 1.00 0.00 H ATOM 292 HB3 ALA A 42 -9.821 29.079 0.387 1.00 0.00 H ATOM 293 H ALA A 42 -12.686 27.492 -1.233 1.00 0.00 H ATOM 294 N GLN A 43 -10.575 31.346 -1.372 1.00 14.69 N ATOM 295 CA GLN A 43 -9.887 32.188 -2.325 1.00 15.48 C ATOM 296 C GLN A 43 -8.468 32.468 -1.846 1.00 14.46 C ATOM 297 O GLN A 43 -8.225 32.649 -0.671 1.00 14.15 O ATOM 298 CB GLN A 43 -10.632 33.504 -2.546 1.00 17.30 C ATOM 299 CG GLN A 43 -12.064 33.297 -3.104 1.00 21.91 C ATOM 300 CD GLN A 43 -12.636 34.590 -3.564 1.00 30.03 C ATOM 301 OE1 GLN A 43 -12.408 35.016 -4.693 1.00 35.65 O ATOM 302 NE2 GLN A 43 -13.380 35.248 -2.689 1.00 33.26 N ATOM 303 HA GLN A 43 -9.850 31.657 -3.276 1.00 0.00 H ATOM 304 HB2 GLN A 43 -10.702 34.029 -1.594 1.00 0.00 H ATOM 305 HB3 GLN A 43 -10.066 34.110 -3.254 1.00 0.00 H ATOM 306 HG2 GLN A 43 -12.025 32.603 -3.943 1.00 0.00 H ATOM 307 HG3 GLN A 43 -12.698 32.883 -2.320 1.00 0.00 H ATOM 308 HE22 GLN A 43 -13.546 34.848 -1.743 1.00 0.00 H ATOM 309 HE21 GLN A 43 -13.798 36.165 -2.947 1.00 0.00 H ATOM 310 H GLN A 43 -10.701 31.671 -0.392 1.00 0.00 H ATOM 311 N GLY A 44 -7.522 32.481 -2.791 1.00 13.17 N ATOM 312 CA GLY A 44 -6.158 32.840 -2.439 1.00 13.34 C ATOM 313 C GLY A 44 -5.380 31.590 -1.988 1.00 11.77 C ATOM 314 O GLY A 44 -5.870 30.428 -2.058 1.00 11.54 O ATOM 315 HA3 GLY A 44 -6.175 33.567 -1.627 1.00 0.00 H ATOM 316 HA2 GLY A 44 -5.665 33.278 -3.307 1.00 0.00 H ATOM 317 H GLY A 44 -7.761 32.235 -3.773 1.00 0.00 H ATOM 318 N GLU A 45 -4.181 31.853 -1.483 1.00 11.42 N ATOM 319 CA GLU A 45 -3.194 30.808 -1.203 1.00 11.69 C ATOM 320 C GLU A 45 -2.784 30.721 0.256 1.00 11.29 C ATOM 321 O GLU A 45 -2.081 29.778 0.626 1.00 12.64 O ATOM 322 CB GLU A 45 -1.939 31.027 -2.085 1.00 11.27 C ATOM 323 CG GLU A 45 -2.163 30.522 -3.532 1.00 12.84 C ATOM 324 CD GLU A 45 -3.223 31.292 -4.300 1.00 15.35 C ATOM 325 OE1 GLU A 45 -3.073 32.526 -4.430 1.00 15.50 O ATOM 326 OE2 GLU A 45 -4.164 30.611 -4.806 1.00 14.53 O ATOM 327 HA GLU A 45 -3.677 29.860 -1.442 1.00 0.00 H ATOM 328 HB2 GLU A 45 -1.708 32.092 -2.114 1.00 0.00 H ATOM 329 HB3 GLU A 45 -1.100 30.486 -1.647 1.00 0.00 H ATOM 330 HG2 GLU A 45 -1.220 30.604 -4.073 1.00 0.00 H ATOM 331 HG3 GLU A 45 -2.465 29.476 -3.487 1.00 0.00 H ATOM 332 H GLU A 45 -3.932 32.842 -1.278 1.00 0.00 H ATOM 333 N MET A 46 -3.214 31.672 1.104 1.00 11.72 N ATOM 334 CA MET A 46 -2.770 31.680 2.516 1.00 12.04 C ATOM 335 C MET A 46 -3.969 31.719 3.449 1.00 10.15 C ATOM 336 O MET A 46 -4.974 32.414 3.158 1.00 11.00 O ATOM 337 CB MET A 46 -1.898 32.898 2.807 1.00 11.56 C ATOM 338 CG MET A 46 -0.686 32.988 1.885 1.00 12.70 C ATOM 339 SD MET A 46 0.457 31.651 2.271 1.00 16.70 S ATOM 340 CE MET A 46 0.924 31.946 3.944 1.00 17.57 C ATOM 341 HA MET A 46 -2.194 30.769 2.682 1.00 0.00 H ATOM 342 HB2 MET A 46 -2.501 33.797 2.680 1.00 0.00 H ATOM 343 HB3 MET A 46 -1.549 32.839 3.838 1.00 0.00 H ATOM 344 HG2 MET A 46 -0.188 33.947 2.031 1.00 0.00 H ATOM 345 HG3 MET A 46 -1.010 32.902 0.848 1.00 0.00 H ATOM 346 HE1 MET A 46 1.399 32.924 4.020 1.00 0.00 H ATOM 347 HE2 MET A 46 0.037 31.921 4.577 1.00 0.00 H ATOM 348 HE3 MET A 46 1.624 31.175 4.266 1.00 0.00 H ATOM 349 H MET A 46 -3.865 32.409 0.764 1.00 0.00 H ATOM 350 N PHE A 47 -3.911 30.923 4.505 1.00 10.69 N ATOM 351 CA PHE A 47 -5.085 30.725 5.391 1.00 10.60 C ATOM 352 C PHE A 47 -4.632 30.464 6.791 1.00 12.23 C ATOM 353 O PHE A 47 -3.615 29.849 6.993 1.00 12.81 O ATOM 354 CB PHE A 47 -5.912 29.487 4.952 1.00 10.63 C ATOM 355 CG PHE A 47 -6.415 29.598 3.553 1.00 9.98 C ATOM 356 CD1 PHE A 47 -7.566 30.320 3.227 1.00 14.00 C ATOM 357 CD2 PHE A 47 -5.659 29.027 2.489 1.00 12.30 C ATOM 358 CE1 PHE A 47 -7.970 30.443 1.868 1.00 14.46 C ATOM 359 CE2 PHE A 47 -6.072 29.162 1.146 1.00 10.50 C ATOM 360 CZ PHE A 47 -7.229 29.851 0.814 1.00 13.75 C ATOM 361 HA PHE A 47 -5.690 31.629 5.330 1.00 0.00 H ATOM 362 HB2 PHE A 47 -5.281 28.601 5.027 1.00 0.00 H ATOM 363 HB3 PHE A 47 -6.765 29.382 5.622 1.00 0.00 H ATOM 364 HD2 PHE A 47 -4.746 28.476 2.716 1.00 0.00 H ATOM 365 HE2 PHE A 47 -5.470 28.716 0.354 1.00 0.00 H ATOM 366 HZ PHE A 47 -7.557 29.935 -0.222 1.00 0.00 H ATOM 367 HE1 PHE A 47 -8.872 31.007 1.631 1.00 0.00 H ATOM 368 HD1 PHE A 47 -8.155 30.790 4.015 1.00 0.00 H ATOM 369 H PHE A 47 -3.023 30.425 4.719 1.00 0.00 H ATOM 370 N THR A 48 -5.453 30.864 7.767 1.00 10.97 N ATOM 371 CA THR A 48 -5.204 30.309 9.093 1.00 10.85 C ATOM 372 C THR A 48 -5.572 28.815 9.107 1.00 10.81 C ATOM 373 O THR A 48 -6.317 28.315 8.219 1.00 11.00 O ATOM 374 CB THR A 48 -6.047 30.995 10.137 1.00 10.67 C ATOM 375 OG1 THR A 48 -7.446 30.746 9.876 1.00 11.30 O ATOM 376 CG2 THR A 48 -5.832 32.519 10.123 1.00 11.45 C ATOM 377 HA THR A 48 -4.148 30.456 9.319 1.00 0.00 H ATOM 378 HB THR A 48 -5.751 30.596 11.107 1.00 0.00 H ATOM 379 HG1 THR A 48 -7.995 31.199 10.565 1.00 0.00 H ATOM 380 HG23 THR A 48 -4.782 32.738 10.318 1.00 0.00 H ATOM 381 HG21 THR A 48 -6.112 32.915 9.147 1.00 0.00 H ATOM 382 HG22 THR A 48 -6.450 32.979 10.894 1.00 0.00 H ATOM 383 H THR A 48 -6.228 31.535 7.591 1.00 0.00 H ATOM 384 N VAL A 49 -5.046 28.058 10.082 1.00 11.10 N ATOM 385 CA VAL A 49 -5.462 26.646 10.172 1.00 10.79 C ATOM 386 C VAL A 49 -6.968 26.500 10.395 1.00 12.28 C ATOM 387 O VAL A 49 -7.586 25.646 9.790 1.00 11.78 O ATOM 388 CB VAL A 49 -4.660 25.886 11.250 1.00 12.14 C ATOM 389 CG1 VAL A 49 -5.202 24.448 11.390 1.00 14.29 C ATOM 390 CG2 VAL A 49 -3.137 25.853 10.881 1.00 13.87 C ATOM 391 HA VAL A 49 -5.237 26.191 9.208 1.00 0.00 H ATOM 392 HB VAL A 49 -4.774 26.406 12.201 1.00 0.00 H ATOM 393 HG11 VAL A 49 -6.252 24.484 11.680 1.00 0.00 H ATOM 394 HG12 VAL A 49 -5.105 23.930 10.436 1.00 0.00 H ATOM 395 HG13 VAL A 49 -4.631 23.918 12.153 1.00 0.00 H ATOM 396 HG21 VAL A 49 -3.007 25.350 9.923 1.00 0.00 H ATOM 397 HG22 VAL A 49 -2.759 26.873 10.812 1.00 0.00 H ATOM 398 HG23 VAL A 49 -2.589 25.313 11.653 1.00 0.00 H ATOM 399 H VAL A 49 -4.363 28.457 10.757 1.00 0.00 H ATOM 400 N LYS A 50 -7.581 27.390 11.179 1.00 12.74 N ATOM 401 CA LYS A 50 -9.043 27.366 11.316 1.00 12.32 C ATOM 402 C LYS A 50 -9.764 27.576 9.987 1.00 12.32 C ATOM 403 O LYS A 50 -10.754 26.883 9.685 1.00 12.88 O ATOM 404 CB LYS A 50 -9.525 28.437 12.293 1.00 14.99 C ATOM 405 CG LYS A 50 -9.345 28.066 13.733 1.00 15.99 C ATOM 406 CD LYS A 50 -10.151 29.079 14.591 1.00 18.11 C ATOM 407 CE LYS A 50 -10.016 28.745 16.062 1.00 27.45 C ATOM 408 NZ LYS A 50 -11.087 29.467 16.855 1.00 27.19 N ATOM 409 HA LYS A 50 -9.284 26.372 11.693 1.00 0.00 H ATOM 410 HB2 LYS A 50 -8.967 29.354 12.102 1.00 0.00 H ATOM 411 HB3 LYS A 50 -10.585 28.614 12.113 1.00 0.00 H ATOM 412 HG2 LYS A 50 -9.717 27.056 13.905 1.00 0.00 H ATOM 413 HG3 LYS A 50 -8.289 28.113 13.999 1.00 0.00 H ATOM 414 HD2 LYS A 50 -9.770 30.085 14.414 1.00 0.00 H ATOM 415 HD3 LYS A 50 -11.202 29.035 14.307 1.00 0.00 H ATOM 416 HE2 LYS A 50 -9.033 29.056 16.415 1.00 0.00 H ATOM 417 HE3 LYS A 50 -10.127 27.669 16.200 1.00 0.00 H ATOM 418 HZ1 LYS A 50 -10.981 30.493 16.724 1.00 0.00 H ATOM 419 HZ2 LYS A 50 -12.025 29.169 16.520 1.00 0.00 H ATOM 420 HZ3 LYS A 50 -10.987 29.232 17.863 1.00 0.00 H ATOM 421 H LYS A 50 -7.023 28.101 11.693 1.00 0.00 H ATOM 422 N GLU A 51 -9.218 28.466 9.160 1.00 10.56 N ATOM 423 CA GLU A 51 -9.818 28.666 7.859 1.00 9.95 C ATOM 424 C GLU A 51 -9.646 27.411 6.975 1.00 9.89 C ATOM 425 O GLU A 51 -10.573 27.028 6.232 1.00 9.73 O ATOM 426 CB GLU A 51 -9.195 29.876 7.157 1.00 9.47 C ATOM 427 CG GLU A 51 -9.682 31.177 7.791 1.00 9.73 C ATOM 428 CD GLU A 51 -8.806 32.364 7.522 1.00 12.46 C ATOM 429 OE1 GLU A 51 -7.766 32.276 6.802 1.00 12.41 O ATOM 430 OE2 GLU A 51 -9.193 33.436 8.052 1.00 12.31 O ATOM 431 HA GLU A 51 -10.882 28.849 8.009 1.00 0.00 H ATOM 432 HB2 GLU A 51 -8.110 29.820 7.242 1.00 0.00 H ATOM 433 HB3 GLU A 51 -9.476 29.863 6.104 1.00 0.00 H ATOM 434 HG2 GLU A 51 -10.678 31.393 7.404 1.00 0.00 H ATOM 435 HG3 GLU A 51 -9.737 31.031 8.870 1.00 0.00 H ATOM 436 H GLU A 51 -8.376 29.007 9.444 1.00 0.00 H ATOM 437 N VAL A 52 -8.455 26.764 7.030 1.00 10.07 N ATOM 438 CA VAL A 52 -8.236 25.509 6.267 1.00 10.18 C ATOM 439 C VAL A 52 -9.275 24.495 6.682 1.00 11.04 C ATOM 440 O VAL A 52 -9.934 23.894 5.805 1.00 11.40 O ATOM 441 CB VAL A 52 -6.827 24.937 6.521 1.00 9.76 C ATOM 442 CG1 VAL A 52 -6.714 23.502 5.856 1.00 11.44 C ATOM 443 CG2 VAL A 52 -5.797 25.915 5.923 1.00 10.98 C ATOM 444 HA VAL A 52 -8.323 25.729 5.203 1.00 0.00 H ATOM 445 HB VAL A 52 -6.636 24.827 7.588 1.00 0.00 H ATOM 446 HG11 VAL A 52 -7.461 22.840 6.294 1.00 0.00 H ATOM 447 HG12 VAL A 52 -6.886 23.586 4.783 1.00 0.00 H ATOM 448 HG13 VAL A 52 -5.718 23.097 6.035 1.00 0.00 H ATOM 449 HG21 VAL A 52 -5.974 26.017 4.852 1.00 0.00 H ATOM 450 HG22 VAL A 52 -5.900 26.888 6.404 1.00 0.00 H ATOM 451 HG23 VAL A 52 -4.791 25.530 6.091 1.00 0.00 H ATOM 452 H VAL A 52 -7.686 27.151 7.613 1.00 0.00 H ATOM 453 N MET A 53 -9.444 24.335 8.002 1.00 11.25 N ATOM 454 CA MET A 53 -10.416 23.340 8.467 1.00 11.23 C ATOM 455 C MET A 53 -11.837 23.707 8.064 1.00 11.40 C ATOM 456 O MET A 53 -12.638 22.828 7.721 1.00 12.07 O ATOM 457 CB MET A 53 -10.276 23.110 9.962 1.00 11.29 C ATOM 458 CG MET A 53 -8.887 22.538 10.337 1.00 11.01 C ATOM 459 SD MET A 53 -8.505 20.983 9.476 1.00 13.10 S ATOM 460 CE MET A 53 -9.522 19.866 10.382 1.00 14.47 C ATOM 461 HA MET A 53 -10.196 22.394 7.972 1.00 0.00 H ATOM 462 HB2 MET A 53 -10.416 24.060 10.478 1.00 0.00 H ATOM 463 HB3 MET A 53 -11.044 22.406 10.283 1.00 0.00 H ATOM 464 HG2 MET A 53 -8.864 22.355 11.411 1.00 0.00 H ATOM 465 HG3 MET A 53 -8.126 23.275 10.079 1.00 0.00 H ATOM 466 HE1 MET A 53 -9.225 19.875 11.431 1.00 0.00 H ATOM 467 HE2 MET A 53 -10.564 20.174 10.296 1.00 0.00 H ATOM 468 HE3 MET A 53 -9.404 18.860 9.978 1.00 0.00 H ATOM 469 H MET A 53 -8.898 24.903 8.681 1.00 0.00 H ATOM 470 N HIS A 54 -12.173 25.009 8.120 1.00 10.64 N ATOM 471 CA HIS A 54 -13.498 25.442 7.641 1.00 9.63 C ATOM 472 C HIS A 54 -13.747 25.037 6.203 1.00 10.87 C ATOM 473 O HIS A 54 -14.778 24.473 5.876 1.00 10.71 O ATOM 474 CB HIS A 54 -13.620 26.961 7.764 1.00 10.13 C ATOM 475 CG HIS A 54 -14.784 27.525 7.015 1.00 10.83 C ATOM 476 ND1 HIS A 54 -16.100 27.397 7.426 1.00 12.15 N ATOM 477 CD2 HIS A 54 -14.810 28.184 5.834 1.00 12.10 C ATOM 478 CE1 HIS A 54 -16.879 27.993 6.536 1.00 13.49 C ATOM 479 NE2 HIS A 54 -16.120 28.480 5.561 1.00 11.35 N ATOM 480 HA HIS A 54 -14.245 24.948 8.262 1.00 0.00 H ATOM 481 HB2 HIS A 54 -13.731 27.215 8.818 1.00 0.00 H ATOM 482 HB3 HIS A 54 -12.707 27.414 7.377 1.00 0.00 H ATOM 483 HD2 HIS A 54 -13.949 28.433 5.214 1.00 0.00 H ATOM 484 HE1 HIS A 54 -17.965 28.071 6.594 1.00 0.00 H ATOM 485 H HIS A 54 -11.501 25.706 8.499 1.00 0.00 H ATOM 486 N TYR A 55 -12.795 25.353 5.314 1.00 10.22 N ATOM 487 CA TYR A 55 -13.036 25.040 3.888 1.00 11.94 C ATOM 488 C TYR A 55 -12.985 23.549 3.619 1.00 11.63 C ATOM 489 O TYR A 55 -13.748 23.047 2.759 1.00 12.68 O ATOM 490 CB TYR A 55 -12.007 25.803 3.025 1.00 11.61 C ATOM 491 CG TYR A 55 -12.376 27.274 2.956 1.00 11.34 C ATOM 492 CD1 TYR A 55 -13.550 27.675 2.346 1.00 11.58 C ATOM 493 CD2 TYR A 55 -11.538 28.240 3.545 1.00 9.75 C ATOM 494 CE1 TYR A 55 -13.921 29.066 2.318 1.00 12.44 C ATOM 495 CE2 TYR A 55 -11.873 29.590 3.503 1.00 12.23 C ATOM 496 CZ TYR A 55 -13.049 29.986 2.893 1.00 13.80 C ATOM 497 OH TYR A 55 -13.371 31.334 2.850 1.00 14.39 O ATOM 498 HA TYR A 55 -14.042 25.364 3.623 1.00 0.00 H ATOM 499 HB3 TYR A 55 -11.999 25.385 2.018 1.00 0.00 H ATOM 500 HB2 TYR A 55 -11.016 25.699 3.468 1.00 0.00 H ATOM 501 HD2 TYR A 55 -10.618 27.927 4.039 1.00 0.00 H ATOM 502 HE2 TYR A 55 -11.211 30.332 3.949 1.00 0.00 H ATOM 503 HE1 TYR A 55 -14.856 29.389 1.860 1.00 0.00 H ATOM 504 HD1 TYR A 55 -14.200 26.933 1.883 1.00 0.00 H ATOM 505 HH TYR A 55 -14.236 31.451 2.384 1.00 0.00 H ATOM 506 H TYR A 55 -11.910 25.806 5.619 1.00 0.00 H ATOM 507 N LEU A 56 -12.130 22.807 4.331 1.00 11.20 N ATOM 508 CA LEU A 56 -12.070 21.352 4.071 1.00 11.08 C ATOM 509 C LEU A 56 -13.393 20.722 4.556 1.00 12.09 C ATOM 510 O LEU A 56 -13.961 19.826 3.908 1.00 10.90 O ATOM 511 CB LEU A 56 -10.870 20.781 4.829 1.00 10.88 C ATOM 512 CG LEU A 56 -10.745 19.251 4.692 1.00 11.29 C ATOM 513 CD1 LEU A 56 -10.602 18.798 3.188 1.00 12.30 C ATOM 514 CD2 LEU A 56 -9.504 18.796 5.511 1.00 11.18 C ATOM 515 HA LEU A 56 -11.948 21.134 3.010 1.00 0.00 H ATOM 516 HB2 LEU A 56 -9.962 21.240 4.439 1.00 0.00 H ATOM 517 HB3 LEU A 56 -10.976 21.028 5.885 1.00 0.00 H ATOM 518 HG LEU A 56 -11.654 18.786 5.073 1.00 0.00 H ATOM 519 HD21 LEU A 56 -8.612 19.284 5.118 1.00 0.00 H ATOM 520 HD22 LEU A 56 -9.640 19.071 6.557 1.00 0.00 H ATOM 521 HD23 LEU A 56 -9.393 17.715 5.430 1.00 0.00 H ATOM 522 HD11 LEU A 56 -11.481 19.118 2.628 1.00 0.00 H ATOM 523 HD12 LEU A 56 -9.710 19.252 2.757 1.00 0.00 H ATOM 524 HD13 LEU A 56 -10.517 17.712 3.143 1.00 0.00 H ATOM 525 H LEU A 56 -11.521 23.243 5.052 1.00 0.00 H ATOM 526 N GLY A 57 -13.904 21.193 5.675 1.00 11.67 N ATOM 527 CA GLY A 57 -15.237 20.777 6.111 1.00 11.10 C ATOM 528 C GLY A 57 -16.329 21.136 5.139 1.00 10.93 C ATOM 529 O GLY A 57 -17.285 20.361 4.919 1.00 11.38 O ATOM 530 HA3 GLY A 57 -15.453 21.257 7.065 1.00 0.00 H ATOM 531 HA2 GLY A 57 -15.235 19.695 6.243 1.00 0.00 H ATOM 532 H GLY A 57 -13.357 21.864 6.251 1.00 0.00 H ATOM 533 N GLN A 58 -16.246 22.328 4.556 1.00 11.45 N ATOM 534 CA GLN A 58 -17.213 22.787 3.581 1.00 11.61 C ATOM 535 C GLN A 58 -17.197 21.901 2.332 1.00 12.00 C ATOM 536 O GLN A 58 -18.245 21.618 1.725 1.00 12.16 O ATOM 537 CB GLN A 58 -16.835 24.205 3.172 1.00 11.84 C ATOM 538 CG GLN A 58 -17.893 24.891 2.309 1.00 10.91 C ATOM 539 CD GLN A 58 -17.897 26.399 2.547 1.00 13.89 C ATOM 540 OE1 GLN A 58 -18.342 26.871 3.600 1.00 20.01 O ATOM 541 NE2 GLN A 58 -17.420 27.149 1.586 1.00 15.31 N ATOM 542 HA GLN A 58 -18.209 22.749 4.022 1.00 0.00 H ATOM 543 HB2 GLN A 58 -16.688 24.798 4.075 1.00 0.00 H ATOM 544 HB3 GLN A 58 -15.902 24.165 2.609 1.00 0.00 H ATOM 545 HG2 GLN A 58 -17.678 24.696 1.258 1.00 0.00 H ATOM 546 HG3 GLN A 58 -18.874 24.487 2.559 1.00 0.00 H ATOM 547 HE22 GLN A 58 -17.055 26.710 0.716 1.00 0.00 H ATOM 548 HE21 GLN A 58 -17.406 28.183 1.692 1.00 0.00 H ATOM 549 H GLN A 58 -15.456 22.955 4.810 1.00 0.00 H ATOM 550 N TYR A 59 -15.985 21.498 1.917 1.00 11.98 N ATOM 551 CA TYR A 59 -15.901 20.549 0.793 1.00 12.28 C ATOM 552 C TYR A 59 -16.682 19.311 1.087 1.00 12.66 C ATOM 553 O TYR A 59 -17.490 18.842 0.265 1.00 12.33 O ATOM 554 CB TYR A 59 -14.419 20.218 0.555 1.00 11.74 C ATOM 555 CG TYR A 59 -14.129 19.192 -0.499 1.00 13.02 C ATOM 556 CD1 TYR A 59 -13.806 19.602 -1.804 1.00 13.42 C ATOM 557 CD2 TYR A 59 -14.064 17.851 -0.179 1.00 14.13 C ATOM 558 CE1 TYR A 59 -13.491 18.664 -2.796 1.00 14.14 C ATOM 559 CE2 TYR A 59 -13.709 16.897 -1.178 1.00 13.70 C ATOM 560 CZ TYR A 59 -13.445 17.348 -2.455 1.00 14.08 C ATOM 561 OH TYR A 59 -13.074 16.419 -3.428 1.00 19.06 O ATOM 562 HA TYR A 59 -16.329 20.996 -0.104 1.00 0.00 H ATOM 563 HB3 TYR A 59 -14.004 19.855 1.495 1.00 0.00 H ATOM 564 HB2 TYR A 59 -13.914 21.141 0.269 1.00 0.00 H ATOM 565 HD2 TYR A 59 -14.284 17.521 0.836 1.00 0.00 H ATOM 566 HE2 TYR A 59 -13.648 15.836 -0.938 1.00 0.00 H ATOM 567 HE1 TYR A 59 -13.287 18.982 -3.819 1.00 0.00 H ATOM 568 HD1 TYR A 59 -13.800 20.664 -2.048 1.00 0.00 H ATOM 569 HH TYR A 59 -12.918 16.887 -4.287 1.00 0.00 H ATOM 570 H TYR A 59 -15.122 21.849 2.380 1.00 0.00 H ATOM 571 N ILE A 60 -16.500 18.762 2.283 1.00 11.75 N ATOM 572 CA ILE A 60 -17.177 17.517 2.621 1.00 12.78 C ATOM 573 C ILE A 60 -18.685 17.736 2.693 1.00 13.51 C ATOM 574 O ILE A 60 -19.470 16.896 2.238 1.00 12.83 O ATOM 575 CB ILE A 60 -16.628 17.022 3.948 1.00 12.61 C ATOM 576 CG1 ILE A 60 -15.186 16.550 3.753 1.00 11.24 C ATOM 577 CG2 ILE A 60 -17.509 15.847 4.468 1.00 14.40 C ATOM 578 CD1 ILE A 60 -14.411 16.386 5.084 1.00 11.60 C ATOM 579 HA ILE A 60 -16.996 16.766 1.852 1.00 0.00 H ATOM 580 HB ILE A 60 -16.645 17.830 4.680 1.00 0.00 H ATOM 581 HG12 ILE A 60 -15.203 15.588 3.241 1.00 0.00 H ATOM 582 HG13 ILE A 60 -14.663 17.280 3.135 1.00 0.00 H ATOM 583 HD11 ILE A 60 -14.377 17.344 5.603 1.00 0.00 H ATOM 584 HD12 ILE A 60 -14.917 15.650 5.709 1.00 0.00 H ATOM 585 HD13 ILE A 60 -13.396 16.049 4.873 1.00 0.00 H ATOM 586 HG21 ILE A 60 -18.533 16.195 4.605 1.00 0.00 H ATOM 587 HG22 ILE A 60 -17.494 15.034 3.742 1.00 0.00 H ATOM 588 HG23 ILE A 60 -17.114 15.492 5.420 1.00 0.00 H ATOM 589 H ILE A 60 -15.875 19.220 2.977 1.00 0.00 H ATOM 590 N MET A 61 -19.126 18.864 3.244 1.00 12.96 N ATOM 591 CA MET A 61 -20.576 19.106 3.355 1.00 14.79 C ATOM 592 C MET A 61 -21.204 19.426 2.007 1.00 15.75 C ATOM 593 O MET A 61 -22.238 18.842 1.645 1.00 17.41 O ATOM 594 CB MET A 61 -20.823 20.236 4.339 1.00 14.91 C ATOM 595 CG MET A 61 -20.331 19.843 5.684 1.00 14.97 C ATOM 596 SD MET A 61 -20.773 21.055 6.962 1.00 23.14 S ATOM 597 CE MET A 61 -22.543 20.958 6.925 1.00 26.17 C ATOM 598 HA MET A 61 -21.048 18.193 3.717 1.00 0.00 H ATOM 599 HB2 MET A 61 -20.295 21.129 4.006 1.00 0.00 H ATOM 600 HB3 MET A 61 -21.891 20.445 4.390 1.00 0.00 H ATOM 601 HG2 MET A 61 -19.245 19.752 5.647 1.00 0.00 H ATOM 602 HG3 MET A 61 -20.766 18.879 5.949 1.00 0.00 H ATOM 603 HE1 MET A 61 -22.900 21.225 5.930 1.00 0.00 H ATOM 604 HE2 MET A 61 -22.855 19.941 7.163 1.00 0.00 H ATOM 605 HE3 MET A 61 -22.959 21.648 7.659 1.00 0.00 H ATOM 606 H MET A 61 -18.450 19.572 3.595 1.00 0.00 H ATOM 607 N VAL A 62 -20.606 20.315 1.228 1.00 16.33 N ATOM 608 CA VAL A 62 -21.307 20.700 0.007 1.00 17.12 C ATOM 609 C VAL A 62 -21.319 19.567 -1.017 1.00 18.27 C ATOM 610 O VAL A 62 -22.281 19.482 -1.836 1.00 20.32 O ATOM 611 CB VAL A 62 -20.770 21.995 -0.591 1.00 17.08 C ATOM 612 CG1 VAL A 62 -21.432 22.243 -1.960 1.00 15.45 C ATOM 613 CG2 VAL A 62 -21.094 23.133 0.355 1.00 17.37 C ATOM 614 HA VAL A 62 -22.341 20.896 0.291 1.00 0.00 H ATOM 615 HB VAL A 62 -19.691 21.927 -0.730 1.00 0.00 H ATOM 616 HG11 VAL A 62 -21.205 21.412 -2.628 1.00 0.00 H ATOM 617 HG12 VAL A 62 -22.511 22.322 -1.831 1.00 0.00 H ATOM 618 HG13 VAL A 62 -21.047 23.169 -2.386 1.00 0.00 H ATOM 619 HG21 VAL A 62 -22.174 23.202 0.482 1.00 0.00 H ATOM 620 HG22 VAL A 62 -20.624 22.946 1.321 1.00 0.00 H ATOM 621 HG23 VAL A 62 -20.716 24.067 -0.060 1.00 0.00 H ATOM 622 H VAL A 62 -19.680 20.720 1.475 1.00 0.00 H ATOM 623 N LYS A 63 -20.339 18.682 -0.958 1.00 17.43 N ATOM 624 CA LYS A 63 -20.312 17.500 -1.813 1.00 17.67 C ATOM 625 C LYS A 63 -21.085 16.314 -1.219 1.00 16.77 C ATOM 626 O LYS A 63 -21.135 15.234 -1.836 1.00 17.99 O ATOM 627 CB LYS A 63 -18.886 17.129 -2.141 1.00 17.56 C ATOM 628 CG LYS A 63 -18.131 18.244 -2.886 1.00 20.65 C ATOM 629 CD LYS A 63 -16.868 17.809 -3.442 1.00 23.10 C ATOM 630 CE LYS A 63 -16.344 18.926 -4.341 1.00 28.19 C ATOM 631 NZ LYS A 63 -17.132 19.085 -5.574 1.00 32.15 N ATOM 632 HA LYS A 63 -20.829 17.755 -2.738 1.00 0.00 H ATOM 633 HB2 LYS A 63 -18.360 16.914 -1.211 1.00 0.00 H ATOM 634 HB3 LYS A 63 -18.894 16.237 -2.767 1.00 0.00 H ATOM 635 HG2 LYS A 63 -18.761 18.605 -3.699 1.00 0.00 H ATOM 636 HG3 LYS A 63 -17.939 19.059 -2.187 1.00 0.00 H ATOM 637 HD2 LYS A 63 -16.157 17.614 -2.639 1.00 0.00 H ATOM 638 HD3 LYS A 63 -17.013 16.900 -4.026 1.00 0.00 H ATOM 639 HE2 LYS A 63 -15.313 18.699 -4.613 1.00 0.00 H ATOM 640 HE3 LYS A 63 -16.374 19.863 -3.785 1.00 0.00 H ATOM 641 HZ1 LYS A 63 -17.104 18.199 -6.119 1.00 0.00 H ATOM 642 HZ2 LYS A 63 -18.117 19.311 -5.328 1.00 0.00 H ATOM 643 HZ3 LYS A 63 -16.730 19.857 -6.144 1.00 0.00 H ATOM 644 H LYS A 63 -19.564 18.833 -0.282 1.00 0.00 H ATOM 645 N GLN A 64 -21.686 16.525 -0.054 1.00 15.62 N ATOM 646 CA GLN A 64 -22.513 15.514 0.611 1.00 15.33 C ATOM 647 C GLN A 64 -21.776 14.197 0.802 1.00 15.61 C ATOM 648 O GLN A 64 -22.324 13.113 0.491 1.00 15.12 O ATOM 649 CB GLN A 64 -23.811 15.290 -0.175 1.00 16.16 C ATOM 650 CG GLN A 64 -24.586 16.587 -0.398 1.00 17.32 C ATOM 651 CD GLN A 64 -25.952 16.341 -0.993 1.00 19.57 C ATOM 652 OE1 GLN A 64 -26.889 15.925 -0.296 1.00 23.89 O ATOM 653 NE2 GLN A 64 -26.081 16.606 -2.285 1.00 21.09 N ATOM 654 HA GLN A 64 -22.752 15.894 1.604 1.00 0.00 H ATOM 655 HB2 GLN A 64 -23.564 14.858 -1.145 1.00 0.00 H ATOM 656 HB3 GLN A 64 -24.442 14.596 0.380 1.00 0.00 H ATOM 657 HG2 GLN A 64 -24.706 17.093 0.560 1.00 0.00 H ATOM 658 HG3 GLN A 64 -24.017 17.224 -1.076 1.00 0.00 H ATOM 659 HE22 GLN A 64 -25.265 16.953 -2.829 1.00 0.00 H ATOM 660 HE21 GLN A 64 -26.998 16.466 -2.755 1.00 0.00 H ATOM 661 H GLN A 64 -21.564 17.449 0.407 1.00 0.00 H ATOM 662 N LEU A 65 -20.553 14.278 1.329 1.00 13.80 N ATOM 663 CA LEU A 65 -19.730 13.090 1.418 1.00 12.92 C ATOM 664 C LEU A 65 -19.954 12.342 2.717 1.00 12.78 C ATOM 665 O LEU A 65 -19.698 11.155 2.781 1.00 13.89 O ATOM 666 CB LEU A 65 -18.239 13.464 1.298 1.00 12.79 C ATOM 667 CG LEU A 65 -17.834 14.141 -0.042 1.00 12.77 C ATOM 668 CD1 LEU A 65 -16.329 14.380 0.009 1.00 14.28 C ATOM 669 CD2 LEU A 65 -18.175 13.252 -1.240 1.00 14.91 C ATOM 670 HA LEU A 65 -20.018 12.437 0.594 1.00 0.00 H ATOM 671 HB2 LEU A 65 -17.996 14.150 2.110 1.00 0.00 H ATOM 672 HB3 LEU A 65 -17.652 12.552 1.407 1.00 0.00 H ATOM 673 HG LEU A 65 -18.382 15.075 -0.164 1.00 0.00 H ATOM 674 HD21 LEU A 65 -17.640 12.306 -1.153 1.00 0.00 H ATOM 675 HD22 LEU A 65 -19.248 13.063 -1.257 1.00 0.00 H ATOM 676 HD23 LEU A 65 -17.879 13.755 -2.160 1.00 0.00 H ATOM 677 HD11 LEU A 65 -16.094 15.029 0.853 1.00 0.00 H ATOM 678 HD12 LEU A 65 -15.815 13.426 0.128 1.00 0.00 H ATOM 679 HD13 LEU A 65 -16.006 14.855 -0.917 1.00 0.00 H ATOM 680 H LEU A 65 -20.192 15.190 1.674 1.00 0.00 H ATOM 681 N TYR A 66 -20.424 13.043 3.740 1.00 13.65 N ATOM 682 CA TYR A 66 -20.695 12.360 5.001 1.00 13.35 C ATOM 683 C TYR A 66 -21.957 11.537 4.878 1.00 12.92 C ATOM 684 O TYR A 66 -22.886 11.853 4.095 1.00 14.35 O ATOM 685 CB TYR A 66 -20.762 13.367 6.171 1.00 13.62 C ATOM 686 CG TYR A 66 -21.910 14.323 6.094 1.00 14.80 C ATOM 687 CD1 TYR A 66 -23.145 14.015 6.674 1.00 16.40 C ATOM 688 CD2 TYR A 66 -21.759 15.567 5.500 1.00 15.46 C ATOM 689 CE1 TYR A 66 -24.201 14.906 6.615 1.00 19.41 C ATOM 690 CE2 TYR A 66 -22.805 16.458 5.448 1.00 17.32 C ATOM 691 CZ TYR A 66 -24.028 16.118 5.993 1.00 20.18 C ATOM 692 OH TYR A 66 -25.069 17.035 5.930 1.00 21.29 O ATOM 693 HA TYR A 66 -19.874 11.678 5.224 1.00 0.00 H ATOM 694 HB3 TYR A 66 -19.837 13.944 6.179 1.00 0.00 H ATOM 695 HB2 TYR A 66 -20.847 12.805 7.101 1.00 0.00 H ATOM 696 HD2 TYR A 66 -20.797 15.843 5.068 1.00 0.00 H ATOM 697 HE2 TYR A 66 -22.669 17.432 4.977 1.00 0.00 H ATOM 698 HE1 TYR A 66 -25.163 14.648 7.059 1.00 0.00 H ATOM 699 HD1 TYR A 66 -23.277 13.059 7.180 1.00 0.00 H ATOM 700 HH TYR A 66 -25.873 16.649 6.359 1.00 0.00 H ATOM 701 H TYR A 66 -20.597 14.064 3.645 1.00 0.00 H ATOM 702 N ASP A 67 -21.985 10.443 5.650 1.00 13.01 N ATOM 703 CA ASP A 67 -23.161 9.608 5.770 1.00 12.52 C ATOM 704 C ASP A 67 -24.237 10.286 6.626 1.00 13.21 C ATOM 705 O ASP A 67 -24.001 10.565 7.784 1.00 12.15 O ATOM 706 CB ASP A 67 -22.728 8.271 6.419 1.00 13.27 C ATOM 707 CG ASP A 67 -23.827 7.251 6.383 1.00 13.75 C ATOM 708 OD1 ASP A 67 -23.490 6.042 6.344 1.00 11.25 O ATOM 709 OD2 ASP A 67 -25.023 7.629 6.325 1.00 17.70 O ATOM 710 HA ASP A 67 -23.591 9.437 4.783 1.00 0.00 H ATOM 711 HB2 ASP A 67 -21.866 7.880 5.879 1.00 0.00 H ATOM 712 HB3 ASP A 67 -22.452 8.456 7.457 1.00 0.00 H ATOM 713 H ASP A 67 -21.130 10.184 6.183 1.00 0.00 H ATOM 714 N ALA A 68 -25.403 10.584 6.032 1.00 13.18 N ATOM 715 CA ALA A 68 -26.474 11.270 6.791 1.00 13.70 C ATOM 716 C ALA A 68 -26.917 10.514 8.035 1.00 12.69 C ATOM 717 O ALA A 68 -27.436 11.105 9.021 1.00 12.98 O ATOM 718 CB ALA A 68 -27.670 11.575 5.866 1.00 15.89 C ATOM 719 HA ALA A 68 -26.052 12.207 7.153 1.00 0.00 H ATOM 720 HB1 ALA A 68 -27.342 12.219 5.050 1.00 0.00 H ATOM 721 HB2 ALA A 68 -28.061 10.642 5.460 1.00 0.00 H ATOM 722 HB3 ALA A 68 -28.450 12.079 6.437 1.00 0.00 H ATOM 723 H ALA A 68 -25.555 10.332 5.034 1.00 0.00 H ATOM 724 N ALA A 69 -26.770 9.201 8.033 1.00 12.10 N ATOM 725 CA ALA A 69 -27.196 8.424 9.169 1.00 13.18 C ATOM 726 C ALA A 69 -26.099 8.066 10.150 1.00 14.29 C ATOM 727 O ALA A 69 -26.373 7.433 11.166 1.00 16.66 O ATOM 728 CB ALA A 69 -27.865 7.128 8.645 1.00 13.36 C ATOM 729 HA ALA A 69 -27.888 9.051 9.732 1.00 0.00 H ATOM 730 HB1 ALA A 69 -28.723 7.389 8.025 1.00 0.00 H ATOM 731 HB2 ALA A 69 -27.145 6.563 8.052 1.00 0.00 H ATOM 732 HB3 ALA A 69 -28.195 6.524 9.490 1.00 0.00 H ATOM 733 H ALA A 69 -26.346 8.727 7.210 1.00 0.00 H ATOM 734 N ALA A 70 -24.857 8.400 9.814 1.00 13.69 N ATOM 735 CA ALA A 70 -23.670 8.107 10.658 1.00 13.62 C ATOM 736 C ALA A 70 -22.622 9.145 10.273 1.00 13.41 C ATOM 737 O ALA A 70 -21.701 8.858 9.519 1.00 13.23 O ATOM 738 CB ALA A 70 -23.144 6.732 10.414 1.00 14.51 C ATOM 739 HA ALA A 70 -23.929 8.154 11.716 1.00 0.00 H ATOM 740 HB1 ALA A 70 -23.919 6.001 10.646 1.00 0.00 H ATOM 741 HB2 ALA A 70 -22.854 6.636 9.368 1.00 0.00 H ATOM 742 HB3 ALA A 70 -22.277 6.558 11.051 1.00 0.00 H ATOM 743 H ALA A 70 -24.708 8.893 8.911 1.00 0.00 H ATOM 744 N GLN A 71 -22.801 10.354 10.805 1.00 14.24 N ATOM 745 CA GLN A 71 -22.302 11.585 10.179 1.00 13.66 C ATOM 746 C GLN A 71 -20.819 11.797 10.424 1.00 14.57 C ATOM 747 O GLN A 71 -20.277 12.735 9.888 1.00 16.50 O ATOM 748 CB GLN A 71 -23.135 12.806 10.608 1.00 14.64 C ATOM 749 CG GLN A 71 -24.596 12.657 10.109 1.00 14.31 C ATOM 750 CD GLN A 71 -25.288 13.982 9.873 1.00 15.41 C ATOM 751 OE1 GLN A 71 -24.709 15.059 10.049 1.00 16.00 O ATOM 752 NE2 GLN A 71 -26.559 13.910 9.438 1.00 17.11 N ATOM 753 HA GLN A 71 -22.421 11.467 9.102 1.00 0.00 H ATOM 754 HB2 GLN A 71 -23.131 12.881 11.695 1.00 0.00 H ATOM 755 HB3 GLN A 71 -22.698 13.709 10.181 1.00 0.00 H ATOM 756 HG2 GLN A 71 -24.586 12.100 9.172 1.00 0.00 H ATOM 757 HG3 GLN A 71 -25.161 12.100 10.856 1.00 0.00 H ATOM 758 HE22 GLN A 71 -27.011 12.983 9.303 1.00 0.00 H ATOM 759 HE21 GLN A 71 -27.090 14.781 9.237 1.00 0.00 H ATOM 760 H GLN A 71 -23.318 10.429 11.704 1.00 0.00 H ATOM 761 N HIS A 72 -20.201 10.905 11.194 1.00 14.86 N ATOM 762 CA HIS A 72 -18.727 10.931 11.299 1.00 14.47 C ATOM 763 C HIS A 72 -18.069 10.171 10.160 1.00 13.63 C ATOM 764 O HIS A 72 -16.819 10.260 9.962 1.00 14.85 O ATOM 765 CB HIS A 72 -18.265 10.317 12.614 1.00 15.39 C ATOM 766 CG HIS A 72 -18.614 8.873 12.744 1.00 15.57 C ATOM 767 ND1 HIS A 72 -17.752 7.859 12.380 1.00 15.68 N ATOM 768 CD2 HIS A 72 -19.750 8.271 13.168 1.00 16.11 C ATOM 769 CE1 HIS A 72 -18.334 6.690 12.597 1.00 16.66 C ATOM 770 NE2 HIS A 72 -19.546 6.916 13.079 1.00 16.14 N ATOM 771 HA HIS A 72 -18.430 11.979 11.251 1.00 0.00 H ATOM 772 HB2 HIS A 72 -17.182 10.419 12.683 1.00 0.00 H ATOM 773 HB3 HIS A 72 -18.733 10.862 13.434 1.00 0.00 H ATOM 774 HD2 HIS A 72 -20.656 8.768 13.515 1.00 0.00 H ATOM 775 HE1 HIS A 72 -17.892 5.711 12.411 1.00 0.00 H ATOM 776 H HIS A 72 -20.751 10.195 11.718 1.00 0.00 H ATOM 777 N MET A 73 -18.854 9.355 9.432 1.00 13.15 N ATOM 778 CA MET A 73 -18.251 8.616 8.298 1.00 12.95 C ATOM 779 C MET A 73 -18.293 9.473 7.049 1.00 12.78 C ATOM 780 O MET A 73 -19.348 10.028 6.701 1.00 14.27 O ATOM 781 CB MET A 73 -18.986 7.302 8.001 1.00 13.32 C ATOM 782 CG MET A 73 -18.804 6.299 9.068 1.00 16.28 C ATOM 783 SD MET A 73 -17.079 5.770 9.390 1.00 15.61 S ATOM 784 CE MET A 73 -16.469 5.275 7.775 1.00 19.49 C ATOM 785 HA MET A 73 -17.225 8.382 8.582 1.00 0.00 H ATOM 786 HB2 MET A 73 -20.050 7.512 7.896 1.00 0.00 H ATOM 787 HB3 MET A 73 -18.605 6.891 7.066 1.00 0.00 H ATOM 788 HG2 MET A 73 -19.379 5.414 8.795 1.00 0.00 H ATOM 789 HG3 MET A 73 -19.202 6.719 9.992 1.00 0.00 H ATOM 790 HE1 MET A 73 -17.084 4.462 7.389 1.00 0.00 H ATOM 791 HE2 MET A 73 -16.519 6.124 7.093 1.00 0.00 H ATOM 792 HE3 MET A 73 -15.436 4.940 7.865 1.00 0.00 H ATOM 793 H MET A 73 -19.863 9.246 9.661 1.00 0.00 H ATOM 794 N VAL A 74 -17.154 9.534 6.366 1.00 11.05 N ATOM 795 CA VAL A 74 -17.041 10.315 5.140 1.00 10.94 C ATOM 796 C VAL A 74 -16.664 9.374 4.021 1.00 11.25 C ATOM 797 O VAL A 74 -15.621 8.691 4.095 1.00 12.63 O ATOM 798 CB VAL A 74 -16.005 11.427 5.304 1.00 9.96 C ATOM 799 CG1 VAL A 74 -15.890 12.235 3.984 1.00 11.82 C ATOM 800 CG2 VAL A 74 -16.397 12.357 6.503 1.00 13.47 C ATOM 801 HA VAL A 74 -17.991 10.797 4.909 1.00 0.00 H ATOM 802 HB VAL A 74 -15.032 10.987 5.524 1.00 0.00 H ATOM 803 HG11 VAL A 74 -15.582 11.569 3.178 1.00 0.00 H ATOM 804 HG12 VAL A 74 -16.858 12.675 3.743 1.00 0.00 H ATOM 805 HG13 VAL A 74 -15.150 13.026 4.107 1.00 0.00 H ATOM 806 HG21 VAL A 74 -17.373 12.803 6.312 1.00 0.00 H ATOM 807 HG22 VAL A 74 -16.438 11.768 7.419 1.00 0.00 H ATOM 808 HG23 VAL A 74 -15.651 13.145 6.609 1.00 0.00 H ATOM 809 H VAL A 74 -16.324 9.013 6.714 1.00 0.00 H ATOM 810 N TYR A 75 -17.537 9.333 3.004 1.00 10.86 N ATOM 811 CA TYR A 75 -17.277 8.508 1.822 1.00 11.64 C ATOM 812 C TYR A 75 -16.834 9.377 0.665 1.00 12.61 C ATOM 813 O TYR A 75 -17.666 9.896 -0.124 1.00 14.90 O ATOM 814 CB TYR A 75 -18.537 7.623 1.483 1.00 10.61 C ATOM 815 CG TYR A 75 -18.775 6.637 2.581 1.00 9.58 C ATOM 816 CD1 TYR A 75 -18.060 5.435 2.634 1.00 10.68 C ATOM 817 CD2 TYR A 75 -19.691 6.928 3.627 1.00 11.28 C ATOM 818 CE1 TYR A 75 -18.222 4.532 3.719 1.00 10.22 C ATOM 819 CE2 TYR A 75 -19.879 6.037 4.677 1.00 9.60 C ATOM 820 CZ TYR A 75 -19.124 4.858 4.739 1.00 9.34 C ATOM 821 OH TYR A 75 -19.280 3.970 5.779 1.00 11.39 O ATOM 822 HA TYR A 75 -16.458 7.818 2.029 1.00 0.00 H ATOM 823 HB3 TYR A 75 -18.364 7.089 0.549 1.00 0.00 H ATOM 824 HB2 TYR A 75 -19.412 8.264 1.377 1.00 0.00 H ATOM 825 HD2 TYR A 75 -20.253 7.862 3.606 1.00 0.00 H ATOM 826 HE2 TYR A 75 -20.614 6.255 5.452 1.00 0.00 H ATOM 827 HE1 TYR A 75 -17.654 3.602 3.757 1.00 0.00 H ATOM 828 HD1 TYR A 75 -17.367 5.187 1.830 1.00 0.00 H ATOM 829 HH TYR A 75 -20.215 3.646 5.797 1.00 0.00 H ATOM 830 H TYR A 75 -18.411 9.895 3.055 1.00 0.00 H ATOM 831 N CYS A 76 -15.514 9.480 0.516 1.00 12.45 N ATOM 832 CA CYS A 76 -14.935 10.380 -0.490 1.00 13.01 C ATOM 833 C CYS A 76 -14.695 9.677 -1.819 1.00 14.44 C ATOM 834 O CYS A 76 -14.634 10.331 -2.880 1.00 15.66 O ATOM 835 CB CYS A 76 -13.682 11.091 0.073 1.00 13.17 C ATOM 836 SG CYS A 76 -12.564 10.003 0.970 1.00 14.36 S ATOM 837 HA CYS A 76 -15.663 11.160 -0.713 1.00 0.00 H ATOM 838 HB2 CYS A 76 -14.010 11.879 0.750 1.00 0.00 H ATOM 839 HB3 CYS A 76 -13.135 11.533 -0.760 1.00 0.00 H ATOM 840 HG CYS A 76 -12.122 9.004 0.127 1.00 0.00 H ATOM 841 H CYS A 76 -14.884 8.915 1.121 1.00 0.00 H ATOM 842 N GLY A 77 -14.626 8.336 -1.801 1.00 13.13 N ATOM 843 CA GLY A 77 -14.412 7.586 -3.002 1.00 14.10 C ATOM 844 C GLY A 77 -13.148 8.019 -3.695 1.00 14.19 C ATOM 845 O GLY A 77 -12.106 8.205 -3.046 1.00 16.45 O ATOM 846 HA3 GLY A 77 -15.257 7.740 -3.673 1.00 0.00 H ATOM 847 HA2 GLY A 77 -14.336 6.528 -2.752 1.00 0.00 H ATOM 848 H GLY A 77 -14.730 7.832 -0.897 1.00 0.00 H ATOM 849 N GLY A 78 -13.245 8.197 -5.000 1.00 13.93 N ATOM 850 CA GLY A 78 -12.111 8.613 -5.822 1.00 15.08 C ATOM 851 C GLY A 78 -12.023 10.108 -6.093 1.00 14.97 C ATOM 852 O GLY A 78 -11.371 10.528 -7.072 1.00 16.00 O ATOM 853 HA3 GLY A 78 -12.182 8.100 -6.781 1.00 0.00 H ATOM 854 HA2 GLY A 78 -11.196 8.307 -5.315 1.00 0.00 H ATOM 855 H GLY A 78 -14.164 8.035 -5.460 1.00 0.00 H ATOM 856 N ASP A 79 -12.690 10.924 -5.267 1.00 12.65 N ATOM 857 CA ASP A 79 -12.632 12.370 -5.500 1.00 13.22 C ATOM 858 C ASP A 79 -11.293 12.908 -5.058 1.00 12.83 C ATOM 859 O ASP A 79 -10.438 12.145 -4.633 1.00 12.78 O ATOM 860 CB ASP A 79 -13.825 13.097 -4.865 1.00 14.48 C ATOM 861 CG ASP A 79 -13.781 13.155 -3.352 1.00 14.71 C ATOM 862 OD1 ASP A 79 -12.769 12.910 -2.699 1.00 13.85 O ATOM 863 OD2 ASP A 79 -14.857 13.456 -2.772 1.00 16.85 O ATOM 864 HA ASP A 79 -12.719 12.563 -6.569 1.00 0.00 H ATOM 865 HB2 ASP A 79 -13.846 14.118 -5.246 1.00 0.00 H ATOM 866 HB3 ASP A 79 -14.738 12.581 -5.161 1.00 0.00 H ATOM 867 H ASP A 79 -13.240 10.538 -4.473 1.00 0.00 H ATOM 868 N LEU A 80 -11.081 14.208 -5.210 1.00 12.36 N ATOM 869 CA LEU A 80 -9.764 14.760 -4.899 1.00 12.65 C ATOM 870 C LEU A 80 -9.310 14.426 -3.488 1.00 11.14 C ATOM 871 O LEU A 80 -8.121 14.172 -3.244 1.00 13.38 O ATOM 872 CB LEU A 80 -9.694 16.283 -5.136 1.00 12.94 C ATOM 873 CG LEU A 80 -9.818 16.798 -6.574 1.00 13.26 C ATOM 874 CD1 LEU A 80 -9.821 18.317 -6.534 1.00 13.82 C ATOM 875 CD2 LEU A 80 -8.686 16.242 -7.477 1.00 13.93 C ATOM 876 HA LEU A 80 -9.076 14.279 -5.594 1.00 0.00 H ATOM 877 HB2 LEU A 80 -10.499 16.738 -4.559 1.00 0.00 H ATOM 878 HB3 LEU A 80 -8.734 16.627 -4.751 1.00 0.00 H ATOM 879 HG LEU A 80 -10.751 16.446 -7.015 1.00 0.00 H ATOM 880 HD21 LEU A 80 -7.720 16.554 -7.080 1.00 0.00 H ATOM 881 HD22 LEU A 80 -8.738 15.153 -7.494 1.00 0.00 H ATOM 882 HD23 LEU A 80 -8.807 16.629 -8.489 1.00 0.00 H ATOM 883 HD11 LEU A 80 -10.665 18.662 -5.937 1.00 0.00 H ATOM 884 HD12 LEU A 80 -8.891 18.669 -6.088 1.00 0.00 H ATOM 885 HD13 LEU A 80 -9.909 18.706 -7.549 1.00 0.00 H ATOM 886 H LEU A 80 -11.844 14.829 -5.547 1.00 0.00 H ATOM 887 N LEU A 81 -10.250 14.497 -2.532 1.00 10.83 N ATOM 888 CA LEU A 81 -9.886 14.248 -1.137 1.00 11.30 C ATOM 889 C LEU A 81 -9.532 12.752 -0.955 1.00 11.00 C ATOM 890 O LEU A 81 -8.565 12.426 -0.293 1.00 11.13 O ATOM 891 CB LEU A 81 -11.060 14.665 -0.238 1.00 10.11 C ATOM 892 CG LEU A 81 -10.842 14.384 1.251 1.00 11.60 C ATOM 893 CD1 LEU A 81 -9.532 15.047 1.780 1.00 11.45 C ATOM 894 CD2 LEU A 81 -12.090 14.849 2.006 1.00 13.08 C ATOM 895 HA LEU A 81 -9.010 14.834 -0.857 1.00 0.00 H ATOM 896 HB2 LEU A 81 -11.224 15.735 -0.364 1.00 0.00 H ATOM 897 HB3 LEU A 81 -11.948 14.123 -0.562 1.00 0.00 H ATOM 898 HG LEU A 81 -10.704 13.315 1.416 1.00 0.00 H ATOM 899 HD21 LEU A 81 -12.236 15.916 1.841 1.00 0.00 H ATOM 900 HD22 LEU A 81 -12.959 14.301 1.642 1.00 0.00 H ATOM 901 HD23 LEU A 81 -11.960 14.660 3.072 1.00 0.00 H ATOM 902 HD11 LEU A 81 -8.679 14.653 1.228 1.00 0.00 H ATOM 903 HD12 LEU A 81 -9.590 16.126 1.640 1.00 0.00 H ATOM 904 HD13 LEU A 81 -9.415 14.823 2.840 1.00 0.00 H ATOM 905 H LEU A 81 -11.233 14.728 -2.782 1.00 0.00 H ATOM 906 N GLY A 82 -10.299 11.856 -1.578 1.00 11.05 N ATOM 907 CA GLY A 82 -9.989 10.413 -1.440 1.00 12.04 C ATOM 908 C GLY A 82 -8.639 10.124 -2.103 1.00 12.06 C ATOM 909 O GLY A 82 -7.840 9.350 -1.604 1.00 12.75 O ATOM 910 HA3 GLY A 82 -10.768 9.824 -1.925 1.00 0.00 H ATOM 911 HA2 GLY A 82 -9.941 10.149 -0.383 1.00 0.00 H ATOM 912 H GLY A 82 -11.107 12.167 -2.155 1.00 0.00 H ATOM 913 N GLU A 83 -8.369 10.735 -3.244 1.00 11.93 N ATOM 914 CA GLU A 83 -7.037 10.525 -3.841 1.00 13.07 C ATOM 915 C GLU A 83 -5.905 11.031 -2.971 1.00 12.52 C ATOM 916 O GLU A 83 -4.869 10.324 -2.830 1.00 14.01 O ATOM 917 CB GLU A 83 -6.937 11.138 -5.235 1.00 13.56 C ATOM 918 CG GLU A 83 -7.888 10.452 -6.224 1.00 17.28 C ATOM 919 CD GLU A 83 -7.540 8.975 -6.498 1.00 26.94 C ATOM 920 OE1 GLU A 83 -6.350 8.581 -6.415 1.00 28.54 O ATOM 921 OE2 GLU A 83 -8.474 8.191 -6.794 1.00 31.09 O ATOM 922 HA GLU A 83 -6.926 9.444 -3.922 1.00 0.00 H ATOM 923 HB2 GLU A 83 -7.192 12.196 -5.175 1.00 0.00 H ATOM 924 HB3 GLU A 83 -5.914 11.031 -5.596 1.00 0.00 H ATOM 925 HG2 GLU A 83 -8.898 10.498 -5.818 1.00 0.00 H ATOM 926 HG3 GLU A 83 -7.852 10.995 -7.169 1.00 0.00 H ATOM 927 H GLU A 83 -9.074 11.345 -3.706 1.00 0.00 H ATOM 928 N LEU A 84 -6.096 12.203 -2.350 1.00 11.73 N ATOM 929 CA LEU A 84 -5.057 12.776 -1.511 1.00 12.50 C ATOM 930 C LEU A 84 -4.835 11.882 -0.303 1.00 12.82 C ATOM 931 O LEU A 84 -3.693 11.656 0.100 1.00 13.82 O ATOM 932 CB LEU A 84 -5.426 14.203 -1.108 1.00 12.00 C ATOM 933 CG LEU A 84 -4.260 15.206 -1.209 1.00 16.90 C ATOM 934 CD1 LEU A 84 -4.440 16.358 -0.230 1.00 12.91 C ATOM 935 CD2 LEU A 84 -2.870 14.581 -1.125 1.00 13.04 C ATOM 936 HA LEU A 84 -4.121 12.832 -2.067 1.00 0.00 H ATOM 937 HB2 LEU A 84 -6.230 14.546 -1.759 1.00 0.00 H ATOM 938 HB3 LEU A 84 -5.777 14.188 -0.076 1.00 0.00 H ATOM 939 HG LEU A 84 -4.308 15.608 -2.221 1.00 0.00 H ATOM 940 HD21 LEU A 84 -2.761 14.067 -0.170 1.00 0.00 H ATOM 941 HD22 LEU A 84 -2.744 13.868 -1.940 1.00 0.00 H ATOM 942 HD23 LEU A 84 -2.116 15.364 -1.205 1.00 0.00 H ATOM 943 HD11 LEU A 84 -5.370 16.881 -0.453 1.00 0.00 H ATOM 944 HD12 LEU A 84 -4.476 15.967 0.787 1.00 0.00 H ATOM 945 HD13 LEU A 84 -3.602 17.048 -0.325 1.00 0.00 H ATOM 946 H LEU A 84 -6.997 12.708 -2.470 1.00 0.00 H ATOM 947 N LEU A 85 -5.924 11.342 0.268 1.00 12.36 N ATOM 948 CA LEU A 85 -5.785 10.475 1.436 1.00 13.65 C ATOM 949 C LEU A 85 -5.377 9.040 1.071 1.00 13.62 C ATOM 950 O LEU A 85 -4.926 8.263 1.936 1.00 14.77 O ATOM 951 CB LEU A 85 -7.113 10.426 2.234 1.00 13.17 C ATOM 952 CG LEU A 85 -7.571 11.740 2.824 1.00 14.57 C ATOM 953 CD1 LEU A 85 -8.984 11.566 3.327 1.00 15.02 C ATOM 954 CD2 LEU A 85 -6.601 12.103 3.997 1.00 14.34 C ATOM 955 HA LEU A 85 -4.989 10.907 2.042 1.00 0.00 H ATOM 956 HB2 LEU A 85 -7.894 10.069 1.563 1.00 0.00 H ATOM 957 HB3 LEU A 85 -6.987 9.717 3.052 1.00 0.00 H ATOM 958 HG LEU A 85 -7.557 12.542 2.086 1.00 0.00 H ATOM 959 HD21 LEU A 85 -6.635 11.317 4.751 1.00 0.00 H ATOM 960 HD22 LEU A 85 -5.585 12.195 3.612 1.00 0.00 H ATOM 961 HD23 LEU A 85 -6.909 13.049 4.442 1.00 0.00 H ATOM 962 HD11 LEU A 85 -9.631 11.282 2.497 1.00 0.00 H ATOM 963 HD12 LEU A 85 -9.004 10.786 4.088 1.00 0.00 H ATOM 964 HD13 LEU A 85 -9.333 12.505 3.757 1.00 0.00 H ATOM 965 H LEU A 85 -6.867 11.541 -0.122 1.00 0.00 H ATOM 966 N GLY A 86 -5.537 8.646 -0.189 1.00 12.76 N ATOM 967 CA GLY A 86 -5.322 7.247 -0.592 1.00 12.65 C ATOM 968 C GLY A 86 -6.318 6.263 0.003 1.00 13.55 C ATOM 969 O GLY A 86 -5.983 5.099 0.246 1.00 13.88 O ATOM 970 HA3 GLY A 86 -4.321 6.951 -0.278 1.00 0.00 H ATOM 971 HA2 GLY A 86 -5.393 7.190 -1.678 1.00 0.00 H ATOM 972 H GLY A 86 -5.821 9.343 -0.907 1.00 0.00 H ATOM 973 N ARG A 87 -7.538 6.747 0.242 1.00 13.83 N ATOM 974 CA ARG A 87 -8.602 5.935 0.859 1.00 14.75 C ATOM 975 C ARG A 87 -9.927 6.400 0.333 1.00 13.82 C ATOM 976 O ARG A 87 -10.129 7.602 0.137 1.00 15.14 O ATOM 977 CB ARG A 87 -8.687 6.177 2.352 1.00 18.40 C ATOM 978 CG ARG A 87 -7.534 5.814 3.159 1.00 23.45 C ATOM 979 CD ARG A 87 -7.778 6.593 4.442 1.00 21.71 C ATOM 980 NE ARG A 87 -8.829 5.977 5.263 1.00 21.72 N ATOM 981 CZ ARG A 87 -8.596 5.383 6.438 1.00 23.91 C ATOM 982 NH1 ARG A 87 -7.356 5.361 6.938 1.00 25.44 N ATOM 983 NH2 ARG A 87 -9.595 4.853 7.139 1.00 24.49 N ATOM 984 HA ARG A 87 -8.379 4.891 0.638 1.00 0.00 H ATOM 985 HB2 ARG A 87 -8.867 7.242 2.500 1.00 0.00 H ATOM 986 HB3 ARG A 87 -9.539 5.610 2.727 1.00 0.00 H ATOM 987 HG2 ARG A 87 -7.506 4.741 3.348 1.00 0.00 H ATOM 988 HG3 ARG A 87 -6.604 6.122 2.681 1.00 0.00 H ATOM 989 HD2 ARG A 87 -8.080 7.609 4.186 1.00 0.00 H ATOM 990 HD3 ARG A 87 -6.853 6.624 5.018 1.00 0.00 H ATOM 991 HE ARG A 87 -9.807 6.004 4.911 1.00 0.00 H ATOM 992 HH12 ARG A 87 -7.172 4.900 7.852 1.00 0.00 H ATOM 993 HH11 ARG A 87 -6.576 5.805 6.413 1.00 0.00 H ATOM 994 HH22 ARG A 87 -9.403 4.393 8.052 1.00 0.00 H ATOM 995 HH21 ARG A 87 -10.568 4.899 6.774 1.00 0.00 H ATOM 996 H ARG A 87 -7.746 7.733 -0.016 1.00 0.00 H ATOM 997 N GLN A 88 -10.871 5.475 0.233 1.00 11.30 N ATOM 998 CA GLN A 88 -12.232 5.781 -0.204 1.00 11.78 C ATOM 999 C GLN A 88 -13.178 6.252 0.903 1.00 11.28 C ATOM 1000 O GLN A 88 -14.276 6.722 0.611 1.00 12.20 O ATOM 1001 CB GLN A 88 -12.829 4.581 -0.941 1.00 11.63 C ATOM 1002 CG GLN A 88 -11.998 4.180 -2.149 1.00 16.05 C ATOM 1003 CD GLN A 88 -12.426 2.844 -2.738 1.00 17.64 C ATOM 1004 OE1 GLN A 88 -13.022 2.793 -3.826 1.00 21.51 O ATOM 1005 NE2 GLN A 88 -12.120 1.742 -2.040 1.00 15.76 N ATOM 1006 HA GLN A 88 -12.136 6.634 -0.876 1.00 0.00 H ATOM 1007 HB2 GLN A 88 -12.881 3.736 -0.254 1.00 0.00 H ATOM 1008 HB3 GLN A 88 -13.834 4.838 -1.275 1.00 0.00 H ATOM 1009 HG2 GLN A 88 -12.102 4.949 -2.915 1.00 0.00 H ATOM 1010 HG3 GLN A 88 -10.953 4.109 -1.846 1.00 0.00 H ATOM 1011 HE22 GLN A 88 -11.620 1.824 -1.132 1.00 0.00 H ATOM 1012 HE21 GLN A 88 -12.383 0.805 -2.406 1.00 0.00 H ATOM 1013 H GLN A 88 -10.634 4.492 0.475 1.00 0.00 H ATOM 1014 N SER A 89 -12.758 6.150 2.164 1.00 9.98 N ATOM 1015 CA SER A 89 -13.603 6.625 3.256 1.00 10.15 C ATOM 1016 C SER A 89 -12.679 6.843 4.464 1.00 11.11 C ATOM 1017 O SER A 89 -11.556 6.312 4.520 1.00 12.13 O ATOM 1018 CB SER A 89 -14.705 5.597 3.597 1.00 10.77 C ATOM 1019 OG SER A 89 -14.114 4.427 4.179 1.00 11.89 O ATOM 1020 HA SER A 89 -14.111 7.548 2.974 1.00 0.00 H ATOM 1021 HB2 SER A 89 -15.236 5.320 2.686 1.00 0.00 H ATOM 1022 HB3 SER A 89 -15.406 6.039 4.305 1.00 0.00 H ATOM 1023 HG SER A 89 -13.633 4.679 5.007 1.00 0.00 H ATOM 1024 H SER A 89 -11.828 5.732 2.370 1.00 0.00 H ATOM 1025 N PHE A 90 -13.190 7.567 5.447 1.00 10.56 N ATOM 1026 CA PHE A 90 -12.466 7.733 6.701 1.00 11.78 C ATOM 1027 C PHE A 90 -13.504 8.153 7.735 1.00 11.59 C ATOM 1028 O PHE A 90 -14.657 8.425 7.402 1.00 12.24 O ATOM 1029 CB PHE A 90 -11.337 8.803 6.540 1.00 11.40 C ATOM 1030 CG PHE A 90 -11.840 10.190 6.192 1.00 12.16 C ATOM 1031 CD1 PHE A 90 -12.222 11.069 7.197 1.00 14.38 C ATOM 1032 CD2 PHE A 90 -11.941 10.595 4.882 1.00 13.10 C ATOM 1033 CE1 PHE A 90 -12.664 12.373 6.832 1.00 15.54 C ATOM 1034 CE2 PHE A 90 -12.377 11.891 4.551 1.00 15.37 C ATOM 1035 CZ PHE A 90 -12.727 12.744 5.545 1.00 13.27 C ATOM 1036 HA PHE A 90 -11.970 6.813 7.011 1.00 0.00 H ATOM 1037 HB2 PHE A 90 -10.787 8.864 7.479 1.00 0.00 H ATOM 1038 HB3 PHE A 90 -10.665 8.474 5.748 1.00 0.00 H ATOM 1039 HD2 PHE A 90 -11.678 9.899 4.085 1.00 0.00 H ATOM 1040 HE2 PHE A 90 -12.433 12.205 3.509 1.00 0.00 H ATOM 1041 HZ PHE A 90 -13.066 13.749 5.294 1.00 0.00 H ATOM 1042 HE1 PHE A 90 -12.955 13.079 7.610 1.00 0.00 H ATOM 1043 HD1 PHE A 90 -12.184 10.767 8.244 1.00 0.00 H ATOM 1044 H PHE A 90 -14.117 8.022 5.323 1.00 0.00 H ATOM 1045 N SER A 91 -13.115 8.119 9.007 1.00 12.05 N ATOM 1046 CA SER A 91 -14.019 8.518 10.094 1.00 11.64 C ATOM 1047 C SER A 91 -13.433 9.709 10.798 1.00 13.28 C ATOM 1048 O SER A 91 -12.274 9.696 11.162 1.00 14.66 O ATOM 1049 CB SER A 91 -14.136 7.373 11.108 1.00 13.64 C ATOM 1050 OG SER A 91 -14.856 7.783 12.278 1.00 16.51 O ATOM 1051 HA SER A 91 -15.000 8.756 9.683 1.00 0.00 H ATOM 1052 HB2 SER A 91 -13.136 7.054 11.400 1.00 0.00 H ATOM 1053 HB3 SER A 91 -14.661 6.539 10.642 1.00 0.00 H ATOM 1054 HG SER A 91 -14.914 7.024 12.911 1.00 0.00 H ATOM 1055 H SER A 91 -12.151 7.803 9.236 1.00 0.00 H ATOM 1056 N VAL A 92 -14.267 10.712 10.997 1.00 11.86 N ATOM 1057 CA VAL A 92 -13.839 11.912 11.773 1.00 10.82 C ATOM 1058 C VAL A 92 -13.536 11.524 13.230 1.00 13.17 C ATOM 1059 O VAL A 92 -12.783 12.273 13.883 1.00 14.55 O ATOM 1060 CB VAL A 92 -14.925 12.956 11.661 1.00 11.95 C ATOM 1061 CG1 VAL A 92 -14.558 14.217 12.437 1.00 14.38 C ATOM 1062 CG2 VAL A 92 -15.196 13.322 10.205 1.00 15.46 C ATOM 1063 HA VAL A 92 -12.916 12.329 11.370 1.00 0.00 H ATOM 1064 HB VAL A 92 -15.828 12.522 12.090 1.00 0.00 H ATOM 1065 HG11 VAL A 92 -14.421 13.968 13.489 1.00 0.00 H ATOM 1066 HG12 VAL A 92 -13.633 14.632 12.037 1.00 0.00 H ATOM 1067 HG13 VAL A 92 -15.359 14.950 12.337 1.00 0.00 H ATOM 1068 HG21 VAL A 92 -14.286 13.719 9.756 1.00 0.00 H ATOM 1069 HG22 VAL A 92 -15.513 12.432 9.661 1.00 0.00 H ATOM 1070 HG23 VAL A 92 -15.983 14.075 10.161 1.00 0.00 H ATOM 1071 H VAL A 92 -15.231 10.666 10.610 1.00 0.00 H ATOM 1072 N LYS A 93 -14.094 10.427 13.750 1.00 12.13 N ATOM 1073 CA LYS A 93 -13.792 9.941 15.117 1.00 13.20 C ATOM 1074 C LYS A 93 -12.370 9.345 15.209 1.00 13.92 C ATOM 1075 O LYS A 93 -11.850 9.116 16.323 1.00 15.50 O ATOM 1076 CB LYS A 93 -14.824 8.869 15.514 1.00 13.38 C ATOM 1077 CG LYS A 93 -16.174 9.426 15.651 1.00 15.79 C ATOM 1078 CD LYS A 93 -17.157 8.375 16.201 1.00 24.09 C ATOM 1079 CE LYS A 93 -16.706 7.912 17.568 1.00 29.30 C ATOM 1080 NZ LYS A 93 -17.882 7.615 18.462 1.00 34.58 N ATOM 1081 HA LYS A 93 -13.845 10.790 15.798 1.00 0.00 H ATOM 1082 HB2 LYS A 93 -14.839 8.094 14.747 1.00 0.00 H ATOM 1083 HB3 LYS A 93 -14.526 8.430 16.466 1.00 0.00 H ATOM 1084 HG2 LYS A 93 -16.141 10.275 16.334 1.00 0.00 H ATOM 1085 HG3 LYS A 93 -16.522 9.761 14.674 1.00 0.00 H ATOM 1086 HD2 LYS A 93 -18.151 8.815 16.278 1.00 0.00 H ATOM 1087 HD3 LYS A 93 -17.191 7.522 15.523 1.00 0.00 H ATOM 1088 HE2 LYS A 93 -16.100 8.694 18.026 1.00 0.00 H ATOM 1089 HE3 LYS A 93 -16.107 7.008 17.457 1.00 0.00 H ATOM 1090 HZ1 LYS A 93 -18.455 8.475 18.576 1.00 0.00 H ATOM 1091 HZ2 LYS A 93 -18.461 6.865 18.033 1.00 0.00 H ATOM 1092 HZ3 LYS A 93 -17.538 7.300 19.392 1.00 0.00 H ATOM 1093 H LYS A 93 -14.770 9.891 13.170 1.00 0.00 H ATOM 1094 N ASP A 94 -11.768 9.027 14.070 1.00 13.27 N ATOM 1095 CA ASP A 94 -10.411 8.494 14.006 1.00 13.62 C ATOM 1096 C ASP A 94 -9.538 9.392 13.125 1.00 14.19 C ATOM 1097 O ASP A 94 -9.253 9.004 11.964 1.00 14.94 O ATOM 1098 CB ASP A 94 -10.492 7.086 13.392 1.00 12.47 C ATOM 1099 CG ASP A 94 -11.242 6.126 14.253 1.00 15.27 C ATOM 1100 OD1 ASP A 94 -11.142 6.200 15.498 1.00 17.93 O ATOM 1101 OD2 ASP A 94 -11.950 5.269 13.670 1.00 20.99 O ATOM 1102 HA ASP A 94 -9.970 8.455 15.002 1.00 0.00 H ATOM 1103 HB2 ASP A 94 -10.993 7.154 12.426 1.00 0.00 H ATOM 1104 HB3 ASP A 94 -9.479 6.709 13.248 1.00 0.00 H ATOM 1105 H ASP A 94 -12.288 9.164 13.180 1.00 0.00 H ATOM 1106 N PRO A 95 -9.112 10.543 13.626 1.00 12.83 N ATOM 1107 CA PRO A 95 -8.614 11.528 12.706 1.00 13.28 C ATOM 1108 C PRO A 95 -7.147 11.445 12.394 1.00 13.12 C ATOM 1109 O PRO A 95 -6.653 12.284 11.621 1.00 13.58 O ATOM 1110 CB PRO A 95 -8.953 12.839 13.422 1.00 14.42 C ATOM 1111 CG PRO A 95 -8.815 12.523 14.821 1.00 15.20 C ATOM 1112 CD PRO A 95 -9.436 11.119 14.941 1.00 13.58 C ATOM 1113 HA PRO A 95 -9.062 11.402 11.720 1.00 0.00 H ATOM 1114 HD3 PRO A 95 -8.979 10.549 15.750 1.00 0.00 H ATOM 1115 HD2 PRO A 95 -10.513 11.172 15.099 1.00 0.00 H ATOM 1116 HG3 PRO A 95 -9.356 13.241 15.437 1.00 0.00 H ATOM 1117 HG2 PRO A 95 -7.766 12.511 15.115 1.00 0.00 H ATOM 1118 HB2 PRO A 95 -8.259 13.628 13.133 1.00 0.00 H ATOM 1119 HB3 PRO A 95 -9.972 13.152 13.195 1.00 0.00 H ATOM 1120 N SER A 96 -6.423 10.472 12.951 1.00 13.71 N ATOM 1121 CA SER A 96 -4.989 10.343 12.632 1.00 13.98 C ATOM 1122 C SER A 96 -4.637 10.487 11.163 1.00 14.54 C ATOM 1123 O SER A 96 -3.704 11.206 10.804 1.00 13.69 O ATOM 1124 CB SER A 96 -4.460 9.002 13.115 1.00 14.65 C ATOM 1125 OG SER A 96 -3.043 8.975 12.999 1.00 13.84 O ATOM 1126 HA SER A 96 -4.520 11.179 13.151 1.00 0.00 H ATOM 1127 HB2 SER A 96 -4.889 8.204 12.509 1.00 0.00 H ATOM 1128 HB3 SER A 96 -4.741 8.856 14.158 1.00 0.00 H ATOM 1129 HG SER A 96 -2.654 9.699 13.550 1.00 0.00 H ATOM 1130 H SER A 96 -6.871 9.804 13.611 1.00 0.00 H ATOM 1131 N PRO A 97 -5.382 9.789 10.272 1.00 14.60 N ATOM 1132 CA PRO A 97 -5.010 9.900 8.838 1.00 14.31 C ATOM 1133 C PRO A 97 -5.238 11.303 8.294 1.00 13.12 C ATOM 1134 O PRO A 97 -4.498 11.763 7.409 1.00 13.91 O ATOM 1135 CB PRO A 97 -5.880 8.875 8.130 1.00 16.92 C ATOM 1136 CG PRO A 97 -6.874 8.426 9.133 1.00 19.82 C ATOM 1137 CD PRO A 97 -6.342 8.694 10.508 1.00 15.90 C ATOM 1138 HA PRO A 97 -3.948 9.712 8.683 1.00 0.00 H ATOM 1139 HD3 PRO A 97 -7.138 9.006 11.184 1.00 0.00 H ATOM 1140 HD2 PRO A 97 -5.844 7.815 10.916 1.00 0.00 H ATOM 1141 HG3 PRO A 97 -7.056 7.358 9.014 1.00 0.00 H ATOM 1142 HG2 PRO A 97 -7.808 8.970 8.990 1.00 0.00 H ATOM 1143 HB2 PRO A 97 -6.381 9.328 7.275 1.00 0.00 H ATOM 1144 HB3 PRO A 97 -5.276 8.033 7.791 1.00 0.00 H ATOM 1145 N LEU A 98 -6.256 11.985 8.807 1.00 11.87 N ATOM 1146 CA LEU A 98 -6.470 13.401 8.445 1.00 12.53 C ATOM 1147 C LEU A 98 -5.316 14.263 8.910 1.00 11.96 C ATOM 1148 O LEU A 98 -4.804 15.137 8.177 1.00 12.14 O ATOM 1149 CB LEU A 98 -7.747 13.946 9.104 1.00 14.19 C ATOM 1150 CG LEU A 98 -9.023 13.318 8.565 1.00 13.83 C ATOM 1151 CD1 LEU A 98 -10.239 13.896 9.353 1.00 11.72 C ATOM 1152 CD2 LEU A 98 -9.207 13.619 7.056 1.00 16.19 C ATOM 1153 HA LEU A 98 -6.555 13.439 7.359 1.00 0.00 H ATOM 1154 HB2 LEU A 98 -7.693 13.752 10.175 1.00 0.00 H ATOM 1155 HB3 LEU A 98 -7.792 15.021 8.932 1.00 0.00 H ATOM 1156 HG LEU A 98 -8.958 12.237 8.691 1.00 0.00 H ATOM 1157 HD21 LEU A 98 -9.261 14.697 6.906 1.00 0.00 H ATOM 1158 HD22 LEU A 98 -8.360 13.215 6.500 1.00 0.00 H ATOM 1159 HD23 LEU A 98 -10.129 13.155 6.704 1.00 0.00 H ATOM 1160 HD11 LEU A 98 -10.129 13.661 10.412 1.00 0.00 H ATOM 1161 HD12 LEU A 98 -10.275 14.977 9.222 1.00 0.00 H ATOM 1162 HD13 LEU A 98 -11.160 13.452 8.974 1.00 0.00 H ATOM 1163 H LEU A 98 -6.908 11.518 9.469 1.00 0.00 H ATOM 1164 N TYR A 99 -4.933 14.076 10.170 1.00 12.24 N ATOM 1165 CA TYR A 99 -3.834 14.874 10.709 1.00 11.80 C ATOM 1166 C TYR A 99 -2.524 14.611 9.963 1.00 10.92 C ATOM 1167 O TYR A 99 -1.693 15.542 9.772 1.00 12.14 O ATOM 1168 CB TYR A 99 -3.650 14.608 12.210 1.00 11.59 C ATOM 1169 CG TYR A 99 -4.781 15.063 13.120 1.00 9.94 C ATOM 1170 CD1 TYR A 99 -4.944 14.464 14.323 1.00 9.70 C ATOM 1171 CD2 TYR A 99 -5.642 16.077 12.749 1.00 12.33 C ATOM 1172 CE1 TYR A 99 -5.980 14.854 15.218 1.00 9.20 C ATOM 1173 CE2 TYR A 99 -6.644 16.501 13.600 1.00 12.95 C ATOM 1174 CZ TYR A 99 -6.802 15.882 14.816 1.00 11.56 C ATOM 1175 OH TYR A 99 -7.831 16.281 15.663 1.00 12.44 O ATOM 1176 HA TYR A 99 -4.097 15.922 10.566 1.00 0.00 H ATOM 1177 HB3 TYR A 99 -2.741 15.119 12.529 1.00 0.00 H ATOM 1178 HB2 TYR A 99 -3.528 13.533 12.344 1.00 0.00 H ATOM 1179 HD2 TYR A 99 -5.530 16.549 11.773 1.00 0.00 H ATOM 1180 HE2 TYR A 99 -7.303 17.319 13.309 1.00 0.00 H ATOM 1181 HE1 TYR A 99 -6.116 14.360 16.180 1.00 0.00 H ATOM 1182 HD1 TYR A 99 -4.265 13.663 14.614 1.00 0.00 H ATOM 1183 HH TYR A 99 -7.805 15.739 16.491 1.00 0.00 H ATOM 1184 H TYR A 99 -5.411 13.369 10.765 1.00 0.00 H ATOM 1185 N ASP A 100 -2.326 13.356 9.511 1.00 9.94 N ATOM 1186 CA ASP A 100 -1.136 13.056 8.683 1.00 9.97 C ATOM 1187 C ASP A 100 -1.204 13.834 7.366 1.00 10.11 C ATOM 1188 O ASP A 100 -0.177 14.422 6.939 1.00 10.16 O ATOM 1189 CB ASP A 100 -1.019 11.554 8.391 1.00 10.75 C ATOM 1190 CG ASP A 100 -0.648 10.733 9.614 1.00 14.34 C ATOM 1191 OD1 ASP A 100 -0.046 11.272 10.580 1.00 15.54 O ATOM 1192 OD2 ASP A 100 -0.938 9.494 9.572 1.00 17.05 O ATOM 1193 HA ASP A 100 -0.253 13.362 9.244 1.00 0.00 H ATOM 1194 HB2 ASP A 100 -1.978 11.199 8.013 1.00 0.00 H ATOM 1195 HB3 ASP A 100 -0.253 11.408 7.630 1.00 0.00 H ATOM 1196 H ASP A 100 -3.005 12.603 9.743 1.00 0.00 H ATOM 1197 N MET A 101 -2.368 13.804 6.702 1.00 10.30 N ATOM 1198 CA MET A 101 -2.498 14.537 5.442 1.00 10.54 C ATOM 1199 C MET A 101 -2.283 16.024 5.647 1.00 11.33 C ATOM 1200 O MET A 101 -1.603 16.679 4.850 1.00 11.36 O ATOM 1201 CB MET A 101 -3.910 14.292 4.877 1.00 11.27 C ATOM 1202 CG MET A 101 -4.188 15.055 3.542 1.00 11.56 C ATOM 1203 SD MET A 101 -4.730 16.739 3.844 1.00 14.01 S ATOM 1204 CE MET A 101 -6.401 16.477 4.380 1.00 14.10 C ATOM 1205 HA MET A 101 -1.739 14.182 4.745 1.00 0.00 H ATOM 1206 HB2 MET A 101 -4.029 13.224 4.695 1.00 0.00 H ATOM 1207 HB3 MET A 101 -4.640 14.617 5.619 1.00 0.00 H ATOM 1208 HG2 MET A 101 -4.964 14.527 2.988 1.00 0.00 H ATOM 1209 HG3 MET A 101 -3.273 15.078 2.950 1.00 0.00 H ATOM 1210 HE1 MET A 101 -6.961 15.977 3.589 1.00 0.00 H ATOM 1211 HE2 MET A 101 -6.401 15.855 5.275 1.00 0.00 H ATOM 1212 HE3 MET A 101 -6.864 17.438 4.604 1.00 0.00 H ATOM 1213 H MET A 101 -3.173 13.264 7.079 1.00 0.00 H ATOM 1214 N LEU A 102 -2.871 16.561 6.711 1.00 11.27 N ATOM 1215 CA LEU A 102 -2.715 17.990 6.979 1.00 10.09 C ATOM 1216 C LEU A 102 -1.254 18.385 7.254 1.00 10.20 C ATOM 1217 O LEU A 102 -0.765 19.414 6.757 1.00 11.09 O ATOM 1218 CB LEU A 102 -3.642 18.431 8.132 1.00 11.00 C ATOM 1219 CG LEU A 102 -5.084 18.306 7.733 1.00 10.51 C ATOM 1220 CD1 LEU A 102 -5.950 18.274 8.960 1.00 11.05 C ATOM 1221 CD2 LEU A 102 -5.530 19.501 6.843 1.00 13.22 C ATOM 1222 HA LEU A 102 -3.011 18.520 6.074 1.00 0.00 H ATOM 1223 HB2 LEU A 102 -3.456 17.801 9.002 1.00 0.00 H ATOM 1224 HB3 LEU A 102 -3.429 19.470 8.385 1.00 0.00 H ATOM 1225 HG LEU A 102 -5.192 17.382 7.165 1.00 0.00 H ATOM 1226 HD21 LEU A 102 -5.402 20.432 7.396 1.00 0.00 H ATOM 1227 HD22 LEU A 102 -4.921 19.527 5.940 1.00 0.00 H ATOM 1228 HD23 LEU A 102 -6.579 19.379 6.572 1.00 0.00 H ATOM 1229 HD11 LEU A 102 -5.671 17.421 9.578 1.00 0.00 H ATOM 1230 HD12 LEU A 102 -5.810 19.195 9.526 1.00 0.00 H ATOM 1231 HD13 LEU A 102 -6.995 18.183 8.663 1.00 0.00 H ATOM 1232 H LEU A 102 -3.439 15.968 7.349 1.00 0.00 H ATOM 1233 N ARG A 103 -0.528 17.561 8.012 1.00 10.08 N ATOM 1234 CA ARG A 103 0.895 17.796 8.234 1.00 10.79 C ATOM 1235 C ARG A 103 1.669 17.883 6.930 1.00 11.03 C ATOM 1236 O ARG A 103 2.483 18.785 6.747 1.00 11.77 O ATOM 1237 CB ARG A 103 1.448 16.692 9.124 1.00 9.94 C ATOM 1238 CG ARG A 103 2.917 16.854 9.392 1.00 9.55 C ATOM 1239 CD ARG A 103 3.500 15.733 10.275 1.00 12.70 C ATOM 1240 NE ARG A 103 3.661 14.505 9.451 1.00 14.11 N ATOM 1241 CZ ARG A 103 2.917 13.412 9.575 1.00 15.55 C ATOM 1242 NH1 ARG A 103 1.935 13.316 10.469 1.00 15.12 N ATOM 1243 NH2 ARG A 103 3.209 12.350 8.787 1.00 19.02 N ATOM 1244 HA ARG A 103 1.014 18.760 8.729 1.00 0.00 H ATOM 1245 HB2 ARG A 103 0.915 16.708 10.074 1.00 0.00 H ATOM 1246 HB3 ARG A 103 1.285 15.732 8.634 1.00 0.00 H ATOM 1247 HG2 ARG A 103 3.445 16.855 8.439 1.00 0.00 H ATOM 1248 HG3 ARG A 103 3.075 17.808 9.894 1.00 0.00 H ATOM 1249 HD2 ARG A 103 2.823 15.531 11.105 1.00 0.00 H ATOM 1250 HD3 ARG A 103 4.470 16.042 10.666 1.00 0.00 H ATOM 1251 HE ARG A 103 4.408 14.502 8.728 1.00 0.00 H ATOM 1252 HH12 ARG A 103 1.375 12.442 10.535 1.00 0.00 H ATOM 1253 HH11 ARG A 103 1.728 14.115 11.102 1.00 0.00 H ATOM 1254 HH22 ARG A 103 2.646 11.479 8.859 1.00 0.00 H ATOM 1255 HH21 ARG A 103 3.996 12.406 8.110 1.00 0.00 H ATOM 1256 H ARG A 103 -0.984 16.737 8.452 1.00 0.00 H ATOM 1257 N LYS A 104 1.389 16.932 6.026 1.00 10.37 N ATOM 1258 CA LYS A 104 2.140 16.846 4.791 1.00 9.95 C ATOM 1259 C LYS A 104 1.713 17.943 3.815 1.00 10.93 C ATOM 1260 O LYS A 104 2.491 18.245 2.856 1.00 14.34 O ATOM 1261 CB LYS A 104 1.879 15.476 4.175 1.00 10.33 C ATOM 1262 CG LYS A 104 2.527 14.353 4.962 1.00 12.04 C ATOM 1263 CD LYS A 104 1.978 13.009 4.368 1.00 18.62 C ATOM 1264 CE LYS A 104 2.061 11.853 5.310 1.00 22.72 C ATOM 1265 NZ LYS A 104 1.548 10.596 4.575 1.00 26.06 N ATOM 1266 HA LYS A 104 3.202 16.979 4.998 1.00 0.00 H ATOM 1267 HB2 LYS A 104 0.803 15.306 4.144 1.00 0.00 H ATOM 1268 HB3 LYS A 104 2.277 15.467 3.160 1.00 0.00 H ATOM 1269 HG2 LYS A 104 3.611 14.396 4.855 1.00 0.00 H ATOM 1270 HG3 LYS A 104 2.264 14.433 6.017 1.00 0.00 H ATOM 1271 HD2 LYS A 104 0.933 13.155 4.095 1.00 0.00 H ATOM 1272 HD3 LYS A 104 2.555 12.767 3.475 1.00 0.00 H ATOM 1273 HE2 LYS A 104 1.443 12.046 6.187 1.00 0.00 H ATOM 1274 HE3 LYS A 104 3.095 11.703 5.621 1.00 0.00 H ATOM 1275 HZ1 LYS A 104 0.563 10.747 4.279 1.00 0.00 H ATOM 1276 HZ2 LYS A 104 2.140 10.420 3.738 1.00 0.00 H ATOM 1277 HZ3 LYS A 104 1.597 9.778 5.215 1.00 0.00 H ATOM 1278 H LYS A 104 0.626 16.251 6.214 1.00 0.00 H ATOM 1279 N ASN A 105 0.519 18.507 4.014 1.00 10.61 N ATOM 1280 CA ASN A 105 -0.003 19.440 2.998 1.00 11.69 C ATOM 1281 C ASN A 105 -0.174 20.877 3.461 1.00 11.10 C ATOM 1282 O ASN A 105 -0.823 21.694 2.763 1.00 11.63 O ATOM 1283 CB ASN A 105 -1.327 18.911 2.420 1.00 11.26 C ATOM 1284 CG ASN A 105 -1.078 17.769 1.455 1.00 14.03 C ATOM 1285 OD1 ASN A 105 -0.729 18.003 0.277 1.00 16.35 O ATOM 1286 ND2 ASN A 105 -1.051 16.520 1.988 1.00 14.24 N ATOM 1287 HA ASN A 105 0.768 19.478 2.229 1.00 0.00 H ATOM 1288 HB2 ASN A 105 -1.957 18.558 3.236 1.00 0.00 H ATOM 1289 HB3 ASN A 105 -1.835 19.719 1.894 1.00 0.00 H ATOM 1290 HD22 ASN A 105 -1.350 16.368 2.973 1.00 0.00 H ATOM 1291 HD21 ASN A 105 -0.732 15.715 1.412 1.00 0.00 H ATOM 1292 H ASN A 105 -0.032 18.292 4.869 1.00 0.00 H ATOM 1293 N LEU A 106 0.357 21.204 4.638 1.00 11.33 N ATOM 1294 CA LEU A 106 0.288 22.590 5.118 1.00 11.17 C ATOM 1295 C LEU A 106 1.682 23.037 5.441 1.00 12.70 C ATOM 1296 O LEU A 106 2.367 22.371 6.255 1.00 15.12 O ATOM 1297 CB LEU A 106 -0.596 22.683 6.359 1.00 11.08 C ATOM 1298 CG LEU A 106 -2.061 22.438 6.093 1.00 10.14 C ATOM 1299 CD1 LEU A 106 -2.842 22.505 7.442 1.00 13.57 C ATOM 1300 CD2 LEU A 106 -2.690 23.464 5.112 1.00 13.37 C ATOM 1301 HA LEU A 106 -0.147 23.230 4.350 1.00 0.00 H ATOM 1302 HB2 LEU A 106 -0.251 21.943 7.081 1.00 0.00 H ATOM 1303 HB3 LEU A 106 -0.487 23.681 6.783 1.00 0.00 H ATOM 1304 HG LEU A 106 -2.135 21.455 5.629 1.00 0.00 H ATOM 1305 HD21 LEU A 106 -2.596 24.467 5.528 1.00 0.00 H ATOM 1306 HD22 LEU A 106 -2.170 23.415 4.155 1.00 0.00 H ATOM 1307 HD23 LEU A 106 -3.744 23.227 4.967 1.00 0.00 H ATOM 1308 HD11 LEU A 106 -2.459 21.743 8.120 1.00 0.00 H ATOM 1309 HD12 LEU A 106 -2.709 23.490 7.889 1.00 0.00 H ATOM 1310 HD13 LEU A 106 -3.901 22.329 7.256 1.00 0.00 H ATOM 1311 H LEU A 106 0.821 20.476 5.218 1.00 0.00 H ATOM 1312 N VAL A 107 2.135 24.136 4.830 1.00 12.08 N ATOM 1313 CA VAL A 107 3.452 24.630 5.162 1.00 11.32 C ATOM 1314 C VAL A 107 3.281 25.709 6.172 1.00 13.32 C ATOM 1315 O VAL A 107 2.688 26.744 5.899 1.00 13.36 O ATOM 1316 CB VAL A 107 4.184 25.169 3.902 1.00 12.27 C ATOM 1317 CG1 VAL A 107 5.556 25.686 4.286 1.00 11.84 C ATOM 1318 CG2 VAL A 107 4.299 24.017 2.896 1.00 12.84 C ATOM 1319 HA VAL A 107 4.066 23.823 5.562 1.00 0.00 H ATOM 1320 HB VAL A 107 3.629 25.994 3.457 1.00 0.00 H ATOM 1321 HG11 VAL A 107 5.449 26.491 5.013 1.00 0.00 H ATOM 1322 HG12 VAL A 107 6.139 24.875 4.723 1.00 0.00 H ATOM 1323 HG13 VAL A 107 6.063 26.062 3.397 1.00 0.00 H ATOM 1324 HG21 VAL A 107 4.867 23.201 3.343 1.00 0.00 H ATOM 1325 HG22 VAL A 107 3.301 23.665 2.633 1.00 0.00 H ATOM 1326 HG23 VAL A 107 4.810 24.369 2.000 1.00 0.00 H ATOM 1327 H VAL A 107 1.549 24.628 4.126 1.00 0.00 H ATOM 1328 N THR A 108 3.757 25.397 7.387 1.00 14.76 N ATOM 1329 CA THR A 108 3.627 26.319 8.509 1.00 15.57 C ATOM 1330 C THR A 108 4.774 27.323 8.525 1.00 17.17 C ATOM 1331 O THR A 108 5.814 27.242 7.834 1.00 18.96 O ATOM 1332 CB THR A 108 3.591 25.563 9.849 1.00 15.84 C ATOM 1333 OG1 THR A 108 4.846 24.878 10.037 1.00 17.44 O ATOM 1334 CG2 THR A 108 2.382 24.596 9.878 1.00 18.47 C ATOM 1335 HA THR A 108 2.686 26.854 8.381 1.00 0.00 H ATOM 1336 OXT THR A 108 4.580 28.310 9.270 1.00 19.50 O ATOM 1337 HB THR A 108 3.462 26.261 10.677 1.00 0.00 H ATOM 1338 HG1 THR A 108 4.985 24.237 9.296 1.00 0.00 H ATOM 1339 HG23 THR A 108 1.462 25.162 9.732 1.00 0.00 H ATOM 1340 HG21 THR A 108 2.488 23.860 9.081 1.00 0.00 H ATOM 1341 HG22 THR A 108 2.348 24.087 10.842 1.00 0.00 H ATOM 1342 H THR A 108 4.227 24.481 7.531 1.00 0.00 H TER 1343 THR A 108 HETATM 1344 O HOH 1 -1.443 27.760 -1.160 1.00 11.29 O HETATM 1345 O HOH 2 1.506 25.812 -2.256 1.00 11.95 O HETATM 1346 O HOH 3 -3.864 23.668 -6.509 1.00 11.31 O HETATM 1347 O HOH 4 -6.109 17.690 -5.346 1.00 13.31 O HETATM 1348 O HOH 5 -12.289 25.706 11.742 1.00 13.74 O HETATM 1349 O HOH 6 -6.141 25.326 -6.795 1.00 14.58 O HETATM 1350 O HOH 7 -3.203 29.349 11.934 1.00 17.05 O HETATM 1351 O HOH 8 -3.049 34.469 -1.437 1.00 18.18 O HETATM 1352 O HOH 9 0.510 28.219 -3.052 1.00 12.60 O HETATM 1353 O HOH 10 -25.254 4.053 6.862 1.00 12.15 O HETATM 1354 O HOH 11 -10.308 7.494 9.632 1.00 17.49 O HETATM 1355 O HOH 12 -8.342 14.772 17.832 1.00 15.64 O HETATM 1356 O HOH 13 0.370 15.164 11.887 1.00 13.94 O HETATM 1357 O HOH 14 -9.188 31.821 11.697 1.00 17.38 O HETATM 1358 O HOH 15 -6.039 29.024 13.268 1.00 17.84 O HETATM 1359 O HOH 16 -4.994 8.487 4.645 1.00 19.41 O HETATM 1360 O HOH 17 6.006 30.129 10.351 1.00 16.25 O HETATM 1361 O HOH 18 -7.625 3.465 14.691 1.00 49.28 O HETATM 1362 O HOH 19 -5.922 33.370 0.841 1.00 18.10 O HETATM 1363 O HOH 20 3.233 20.727 8.488 1.00 22.46 O HETATM 1364 O HOH 21 3.745 29.334 5.314 1.00 23.30 O HETATM 1365 O HOH 22 1.735 30.779 -2.779 1.00 14.65 O HETATM 1366 O HOH 23 0.154 14.005 0.730 1.00 20.83 O HETATM 1367 O HOH 24 -3.170 10.178 5.678 1.00 17.61 O HETATM 1368 O HOH 25 -16.317 25.731 9.604 1.00 21.39 O HETATM 1369 O HOH 26 -21.494 4.286 7.144 1.00 13.27 O HETATM 1370 O HOH 27 -1.998 12.773 2.210 1.00 20.20 O HETATM 1371 O HOH 28 -23.745 5.142 3.727 1.00 17.50 O HETATM 1372 O HOH 29 -15.835 31.915 1.981 1.00 21.68 O HETATM 1373 O HOH 30 5.110 22.872 8.258 1.00 21.16 O HETATM 1374 O HOH 31 4.760 30.005 2.737 1.00 27.67 O HETATM 1375 O HOH 32 -28.608 16.001 8.546 1.00 35.11 O HETATM 1376 O HOH 33 -15.285 4.245 -4.720 1.00 13.43 O HETATM 1377 O HOH 34 -1.677 8.313 7.242 1.00 24.51 O HETATM 1378 O HOH 35 -4.161 7.992 -4.175 1.00 27.89 O HETATM 1379 O HOH 36 -16.933 23.833 7.682 1.00 25.55 O HETATM 1380 O HOH 37 7.977 20.446 2.428 1.00 28.71 O HETATM 1381 O HOH 38 -1.319 11.155 4.020 1.00 23.88 O HETATM 1382 O HOH 39 -12.535 13.167 16.489 1.00 27.14 O HETATM 1383 O HOH 40 3.380 31.194 7.174 1.00 27.68 O HETATM 1384 O HOH 41 -4.709 6.080 5.896 1.00 26.16 O HETATM 1385 O HOH 42 1.684 8.932 11.369 1.00 28.77 O HETATM 1386 O HOH 43 4.769 17.300 1.793 1.00 25.61 O HETATM 1387 O HOH 44 3.623 34.269 10.435 1.00 36.29 O HETATM 1388 O HOH 45 -24.189 11.732 1.841 1.00 22.39 O HETATM 1389 O HOH 46 -10.905 23.532 -7.230 1.00 20.21 O HETATM 1390 O HOH 47 -1.087 10.968 13.044 1.00 21.11 O HETATM 1391 O HOH 48 -16.679 14.413 -4.380 1.00 24.87 O HETATM 1392 O HOH 49 7.363 28.894 6.919 1.00 29.63 O HETATM 1393 O HOH 50 -22.067 9.865 1.434 1.00 27.23 O HETATM 1394 O HOH 51 -0.706 36.401 3.011 1.00 29.28 O HETATM 1395 O HOH 52 -6.355 21.880 -11.817 1.00 27.54 O HETATM 1396 O HOH 53 -17.706 21.532 8.648 1.00 25.25 O HETATM 1397 O HOH 54 1.461 17.255 -1.226 1.00 29.70 O HETATM 1398 O HOH 55 7.197 24.879 7.524 1.00 31.06 O HETATM 1399 O HOH 56 2.251 35.879 15.152 1.00 36.07 O HETATM 1400 O HOH 57 -12.499 29.095 -4.889 1.00 30.55 O HETATM 1401 O HOH 58 -24.030 14.130 3.006 1.00 30.57 O HETATM 1402 O HOH 59 1.100 35.445 6.547 1.00 28.71 O HETATM 1403 O HOH 60 -12.484 3.952 6.460 1.00 29.15 O HETATM 1404 O HOH 61 -4.045 35.938 -3.386 1.00 29.79 O HETATM 1405 O HOH 62 -14.721 5.693 13.812 1.00 29.50 O HETATM 1406 O HOH 63 -4.194 36.542 3.059 1.00 26.21 O HETATM 1407 O HOH 64 -15.699 9.128 -6.621 1.00 31.57 O HETATM 1408 O HOH 65 -10.120 12.807 -8.113 1.00 28.65 O HETATM 1409 O HOH 66 -11.156 4.466 10.849 1.00 34.75 O HETATM 1410 O HOH 67 -20.319 10.133 -0.689 1.00 26.23 O HETATM 1411 O HOH 68 -28.259 9.029 3.506 1.00 22.72 O HETATM 1412 O HOH 69 -13.785 28.065 17.547 1.00 30.99 O HETATM 1413 O HOH 70 -1.966 9.708 -0.538 1.00 32.54 O HETATM 1414 O HOH 71 -2.927 5.897 7.627 1.00 30.95 O HETATM 1415 O HOH 72 -5.882 25.009 -9.682 1.00 27.87 O HETATM 1416 O HOH 73 -17.175 29.851 3.394 1.00 19.84 O HETATM 1417 O HOH 74 -15.681 14.217 -8.067 1.00 42.64 O HETATM 1418 O HOH 75 -12.351 14.627 -8.727 1.00 40.87 O HETATM 1419 O HOH 76 -12.191 20.792 -8.340 1.00 34.27 O HETATM 1420 O HOH 77 -25.861 10.309 3.240 1.00 27.85 O HETATM 1421 O HOH 78 4.275 20.273 4.874 1.00 26.05 O HETATM 1422 O HOH 79 7.248 28.228 2.551 1.00 30.72 O HETATM 1423 O HOH 80 -13.359 4.365 9.039 1.00 29.51 O HETATM 1424 O HOH 81 -7.193 12.297 17.945 1.00 29.75 O HETATM 1425 O HOH 82 -9.543 7.130 -3.220 1.00 29.50 O HETATM 1426 O HOH 83 -22.701 23.839 3.306 1.00 52.26 O HETATM 1427 O HOH 84 -7.952 21.059 -13.535 1.00 28.92 O HETATM 1428 O HOH 85 -4.657 34.313 -6.000 1.00 29.69 O HETATM 1429 O HOH 86 -16.365 5.112 -0.251 1.00 21.72 O HETATM 1430 O HOH 87 -29.116 6.949 11.781 1.00 23.89 O HETATM 1431 O HOH 88 -21.451 4.796 14.029 1.00 28.92 O HETATM 1432 O HOH 89 -10.673 22.281 -12.079 1.00 35.27 O HETATM 1433 O HOH 90 -9.437 26.077 -8.710 1.00 33.79 O HETATM 1434 O HOH 91 -5.992 14.923 -4.837 1.00 15.72 O HETATM 1435 O HOH 92 -25.513 17.445 9.061 1.00 22.92 O HETATM 1436 O HOH 93 1.194 34.684 8.964 1.00 30.59 O HETATM 1437 O HOH 94 -7.078 36.167 10.904 1.00 30.18 O HETATM 1438 O HOH 95 -19.104 25.818 -1.164 1.00 35.36 O HETATM 1439 O HOH 96 -5.314 26.454 14.787 1.00 29.01 O HETATM 1440 O HOH 97 -7.951 12.816 -9.176 1.00 24.60 O HETATM 1441 O HOH 98 -19.262 26.548 8.332 1.00 34.68 O HETATM 1442 O HOH 99 -26.981 6.954 4.542 1.00 25.10 O HETATM 1443 O HOH 100 2.388 9.463 8.183 1.00 37.64 O HETATM 1444 O HOH 101 6.284 16.656 4.430 1.00 43.77 O HETATM 1445 O HOH 102 2.614 32.357 -0.844 1.00 32.90 O HETATM 1446 O HOH 103 -1.816 7.818 2.411 1.00 39.11 O HETATM 1447 O HOH 104 5.791 14.975 7.406 1.00 33.36 O HETATM 1448 O HOH 105 -24.745 20.394 -1.811 1.00 31.92 O HETATM 1449 O HOH 106 3.418 33.662 6.069 1.00 34.32 O HETATM 1450 O HOH 107 2.436 10.110 1.595 1.00 41.54 O HETATM 1451 O HOH 108 3.305 29.617 13.067 1.00 20.29 O HETATM 1452 O HOH 109 0.648 29.418 14.602 1.00 27.57 O HETATM 1453 O HOH 110 -15.610 26.782 19.775 1.00 45.30 O HETATM 1454 O HOH 111 -12.381 21.439 12.207 1.00 16.66 O HETATM 1455 O HOH 112 -17.670 21.974 11.650 1.00 18.37 O HETATM 1456 O HOH 113 -24.762 10.894 12.968 1.00 18.21 O HETATM 1457 O HOH 114 -13.775 23.519 11.052 1.00 17.41 O HETATM 1458 O HOH 115 -6.186 23.175 15.709 1.00 16.32 O HETATM 1459 O HOH 116 -18.518 19.942 18.388 1.00 15.54 O HETATM 1460 O HOH 117 -11.681 22.556 17.074 1.00 22.79 O HETATM 1461 O HOH 118 -2.269 23.779 13.748 1.00 24.22 O HETATM 1462 O HOH 119 -23.501 19.125 9.742 1.00 21.95 O HETATM 1463 O HOH 120 -10.190 22.065 13.467 1.00 25.40 O HETATM 1464 O HOH 121 -8.903 18.591 21.054 1.00 24.77 O HETATM 1465 O HOH 122 -10.355 24.505 13.643 1.00 28.96 O HETATM 1466 O HOH 123 -14.916 14.136 16.163 1.00 26.20 O HETATM 1467 O HOH 124 -7.785 24.686 14.216 1.00 34.10 O HETATM 1468 O HOH 125 -22.806 9.129 14.329 1.00 29.66 O HETATM 1469 O HOH 126 -11.513 18.529 20.587 1.00 27.58 O HETATM 1470 O HOH 127 -24.234 21.912 10.052 1.00 26.20 O HETATM 1471 O HOH 128 -13.921 26.290 15.587 1.00 25.92 O HETATM 1472 O HOH 129 -24.658 20.887 13.393 1.00 29.80 O HETATM 1473 O HOH 130 -11.050 15.063 17.773 1.00 27.39 O HETATM 1474 N THR A 131 -25.493 13.317 16.603 1.00 0.24 N HETATM 1475 CA THR A 131 -24.355 14.248 16.379 1.00 0.09 C HETATM 1476 C THR A 131 -24.147 14.452 14.875 1.00 0.23 C HETATM 1477 O THR A 131 -24.066 13.475 14.092 1.00 -0.39 O HETATM 1478 N THR A 131 -24.099 15.723 14.475 1.00 -0.26 N HETATM 1479 CA THR A 131 -23.968 16.058 13.073 1.00 0.15 C HETATM 1480 C THR A 131 -22.522 16.012 12.650 1.00 0.21 C HETATM 1481 O THR A 131 -21.601 16.104 13.477 1.00 -0.39 O HETATM 1482 N THR A 131 -22.342 15.904 11.340 1.00 -0.26 N HETATM 1483 CA THR A 131 -21.005 16.024 10.767 1.00 0.14 C HETATM 1484 C THR A 131 -20.303 17.283 11.286 1.00 0.21 C HETATM 1485 O THR A 131 -19.137 17.212 11.734 1.00 -0.39 O HETATM 1486 N THR A 131 -20.990 18.431 11.228 1.00 -0.26 N HETATM 1487 CA THR A 131 -20.330 19.668 11.652 1.00 0.13 C HETATM 1488 C THR A 131 -19.839 19.587 13.106 1.00 0.20 C HETATM 1489 O THR A 131 -18.783 20.146 13.460 1.00 -0.39 O HETATM 1490 N THR A 131 -20.624 18.924 13.962 1.00 -0.26 N HETATM 1491 CA THR A 131 -20.246 18.820 15.368 1.00 0.13 C HETATM 1492 C THR A 131 -19.043 17.886 15.534 1.00 0.20 C HETATM 1493 O THR A 131 -18.101 18.202 16.263 1.00 -0.39 O HETATM 1494 N THR A 131 -19.003 16.795 14.760 1.00 -0.26 N HETATM 1495 CA THR A 131 -17.832 15.929 14.819 1.00 0.14 C HETATM 1496 C THR A 131 -16.605 16.700 14.289 1.00 0.21 C HETATM 1497 O THR A 131 -15.500 16.625 14.861 1.00 -0.39 O HETATM 1498 N THR A 131 -16.796 17.401 13.181 1.00 -0.26 N HETATM 1499 CA THR A 131 -15.667 18.066 12.484 1.00 0.14 C HETATM 1500 C THR A 131 -15.106 19.167 13.382 1.00 0.21 C HETATM 1501 O THR A 131 -13.887 19.403 13.412 1.00 -0.39 O HETATM 1502 N THR A 131 -15.968 19.825 14.170 1.00 -0.26 N HETATM 1503 CA THR A 131 -15.483 20.901 15.006 1.00 0.15 C HETATM 1504 C THR A 131 -14.563 20.447 16.128 1.00 0.21 C HETATM 1505 O THR A 131 -13.797 21.290 16.699 1.00 -0.39 O HETATM 1506 N THR A 131 -14.651 19.156 16.497 1.00 -0.26 N HETATM 1507 CA THR A 131 -13.781 18.634 17.527 1.00 0.13 C HETATM 1508 C THR A 131 -12.358 18.407 17.064 1.00 0.20 C HETATM 1509 O THR A 131 -11.497 18.117 17.905 1.00 -0.39 O HETATM 1510 N THR A 131 -12.093 18.478 15.763 1.00 -0.26 N HETATM 1511 CA THR A 131 -10.710 18.257 15.268 1.00 0.13 C HETATM 1512 C THR A 131 -9.845 19.444 15.712 1.00 0.20 C HETATM 1513 O THR A 131 -10.349 20.606 15.832 1.00 -0.39 O HETATM 1514 N THR A 131 -8.553 19.181 15.943 1.00 -0.26 N HETATM 1515 CA THR A 131 -7.681 20.209 16.489 1.00 0.15 C HETATM 1516 C THR A 131 -6.265 19.918 15.974 1.00 0.21 C HETATM 1517 O THR A 131 -5.363 19.663 16.766 1.00 -0.39 O HETATM 1518 N THR A 131 -6.076 19.990 14.643 1.00 -0.26 N HETATM 1519 CA THR A 131 -4.724 19.684 14.080 1.00 0.10 C HETATM 1520 C THR A 131 -3.658 20.672 14.475 1.00 0.06 C HETATM 1521 O THR A 131 -3.905 21.863 14.725 1.00 -0.57 O HETATM 1522 OXT THR A 131 -2.474 20.334 14.521 1.00 -0.57 O HETATM 1523 CB THR A 131 -4.914 19.797 12.579 1.00 -0.02 C HETATM 1524 CG THR A 131 -6.065 20.856 12.476 1.00 -0.03 C HETATM 1525 CD THR A 131 -7.009 20.478 13.628 1.00 0.04 C HETATM 1526 H92 THR A 131 -7.569 21.354 13.989 1.00 0.05 H HETATM 1527 H93 THR A 131 -7.715 19.691 13.324 1.00 0.05 H HETATM 1528 H90 THR A 131 -6.580 20.783 11.507 1.00 0.03 H HETATM 1529 H91 THR A 131 -5.673 21.875 12.608 1.00 0.03 H HETATM 1530 H88 THR A 131 -5.216 18.834 12.141 1.00 0.03 H HETATM 1531 H89 THR A 131 -3.998 20.153 12.086 1.00 0.03 H HETATM 1532 H87 THR A 131 -4.412 18.670 14.372 1.00 0.07 H HETATM 1533 CB THR A 131 -7.728 20.213 18.051 1.00 0.08 C HETATM 1534 OG THR A 131 -7.572 18.892 18.590 1.00 -0.39 O HETATM 1535 H86 THR A 131 -7.606 18.932 19.538 1.00 0.21 H HETATM 1536 H84 THR A 131 -8.697 20.619 18.378 1.00 0.06 H HETATM 1537 H85 THR A 131 -6.916 20.851 18.430 1.00 0.06 H HETATM 1538 H83 THR A 131 -8.006 21.195 16.126 1.00 0.08 H HETATM 1539 H82 THR A 131 -8.186 18.273 15.739 1.00 0.19 H HETATM 1540 CB THR A 131 -10.723 18.144 13.752 1.00 -0.01 C HETATM 1541 CG THR A 131 -11.538 16.927 13.270 1.00 -0.04 C HETATM 1542 CD1 THR A 131 -11.366 16.851 11.778 1.00 -0.06 C HETATM 1543 H76 THR A 131 -11.933 15.993 11.387 1.00 0.02 H HETATM 1544 H77 THR A 131 -10.300 16.727 11.538 1.00 0.02 H HETATM 1545 H78 THR A 131 -11.740 17.778 11.318 1.00 0.02 H HETATM 1546 CD2 THR A 131 -11.055 15.627 13.891 1.00 -0.06 C HETATM 1547 H79 THR A 131 -11.178 15.675 14.983 1.00 0.02 H HETATM 1548 H80 THR A 131 -9.993 15.477 13.648 1.00 0.02 H HETATM 1549 H81 THR A 131 -11.645 14.789 13.492 1.00 0.02 H HETATM 1550 H75 THR A 131 -12.599 17.073 13.522 1.00 0.03 H HETATM 1551 H73 THR A 131 -9.688 18.042 13.395 1.00 0.03 H HETATM 1552 H74 THR A 131 -11.168 19.058 13.332 1.00 0.03 H HETATM 1553 H72 THR A 131 -10.307 17.328 15.697 1.00 0.08 H HETATM 1554 H71 THR A 131 -12.827 18.681 15.115 1.00 0.19 H HETATM 1555 CB THR A 131 -14.355 17.319 18.067 1.00 -0.01 C HETATM 1556 CG THR A 131 -15.709 17.531 18.760 1.00 -0.04 C HETATM 1557 CD1 THR A 131 -16.264 16.186 19.211 1.00 -0.06 C HETATM 1558 H65 THR A 131 -17.234 16.337 19.707 1.00 0.02 H HETATM 1559 H66 THR A 131 -15.561 15.717 19.915 1.00 0.02 H HETATM 1560 H67 THR A 131 -16.398 15.533 18.336 1.00 0.02 H HETATM 1561 CD2 THR A 131 -15.647 18.520 19.946 1.00 -0.06 C HETATM 1562 H68 THR A 131 -15.244 19.483 19.599 1.00 0.02 H HETATM 1563 H69 THR A 131 -14.994 18.111 20.731 1.00 0.02 H HETATM 1564 H70 THR A 131 -16.658 18.670 20.352 1.00 0.02 H HETATM 1565 H64 THR A 131 -16.400 17.954 18.016 1.00 0.03 H HETATM 1566 H62 THR A 131 -13.647 16.892 18.792 1.00 0.03 H HETATM 1567 H63 THR A 131 -14.489 16.618 17.230 1.00 0.03 H HETATM 1568 H61 THR A 131 -13.754 19.368 18.346 1.00 0.08 H HETATM 1569 H60 THR A 131 -15.320 18.556 16.058 1.00 0.19 H HETATM 1570 CB THR A 131 -16.664 21.641 15.597 1.00 0.08 C HETATM 1571 CG THR A 131 -16.252 23.000 16.193 1.00 0.18 C HETATM 1572 OD1 THR A 131 -15.702 23.839 15.547 1.00 -0.40 O HETATM 1573 ND2 THR A 131 -16.463 23.168 17.409 1.00 -0.30 N HETATM 1574 H58 THR A 131 -16.214 24.033 17.845 1.00 0.18 H HETATM 1575 H59 THR A 131 -16.882 22.438 17.949 1.00 0.18 H HETATM 1576 H56 THR A 131 -17.108 21.024 16.392 1.00 0.06 H HETATM 1577 H57 THR A 131 -17.409 21.811 14.806 1.00 0.06 H HETATM 1578 H55 THR A 131 -14.916 21.594 14.367 1.00 0.08 H HETATM 1579 H54 THR A 131 -16.936 19.575 14.180 1.00 0.19 H HETATM 1580 CB THR A 131 -16.197 18.650 11.176 1.00 0.00 C HETATM 1581 CG THR A 131 -15.083 19.191 10.321 1.00 -0.04 C HETATM 1582 CD1 THR A 131 -14.774 20.506 10.124 1.00 0.02 C HETATM 1583 NE1 THR A 131 -13.702 20.601 9.264 1.00 -0.29 N HETATM 1584 CE2 THR A 131 -13.316 19.343 8.877 1.00 0.06 C HETATM 1585 CD2 THR A 131 -14.175 18.420 9.517 1.00 -0.02 C HETATM 1586 CE3 THR A 131 -13.981 17.035 9.295 1.00 -0.07 C HETATM 1587 CZ3 THR A 131 -12.963 16.632 8.432 1.00 -0.08 C HETATM 1588 CH2 THR A 131 -12.126 17.582 7.807 1.00 -0.08 C HETATM 1589 CZ2 THR A 131 -12.286 18.942 8.026 1.00 -0.04 C HETATM 1590 H51 THR A 131 -11.634 19.667 7.553 1.00 0.05 H HETATM 1591 H53 THR A 131 -11.341 17.241 7.141 1.00 0.05 H HETATM 1592 H52 THR A 131 -12.812 15.576 8.238 1.00 0.05 H HETATM 1593 H50 THR A 131 -14.611 16.303 9.786 1.00 0.05 H HETATM 1594 H49 THR A 131 -13.259 21.480 8.959 1.00 0.22 H HETATM 1595 H48 THR A 131 -15.294 21.349 10.576 1.00 0.08 H HETATM 1596 H46 THR A 131 -16.898 19.465 11.407 1.00 0.04 H HETATM 1597 H47 THR A 131 -16.723 17.860 10.620 1.00 0.04 H HETATM 1598 H45 THR A 131 -14.876 17.333 12.267 1.00 0.08 H HETATM 1599 H44 THR A 131 -17.720 17.484 12.807 1.00 0.19 H HETATM 1600 CB THR A 131 -18.044 14.683 13.935 1.00 0.02 C HETATM 1601 CG THR A 131 -18.884 13.596 14.523 1.00 -0.05 C HETATM 1602 CD1 THR A 131 -18.484 12.923 15.644 1.00 -0.07 C HETATM 1603 CE1 THR A 131 -19.272 11.869 16.177 1.00 -0.04 C HETATM 1604 CZ THR A 131 -20.470 11.540 15.563 1.00 0.08 C HETATM 1605 CE2 THR A 131 -20.893 12.246 14.434 1.00 -0.04 C HETATM 1606 CD2 THR A 131 -20.086 13.234 13.911 1.00 -0.07 C HETATM 1607 H40 THR A 131 -20.392 13.742 13.003 1.00 0.05 H HETATM 1608 H42 THR A 131 -21.848 12.019 13.973 1.00 0.05 H HETATM 1609 OH THR A 131 -21.319 10.532 16.049 1.00 -0.34 O HETATM 1610 H43 THR A 131 -21.449 9.876 15.374 1.00 0.25 H HETATM 1611 H41 THR A 131 -18.940 11.327 17.055 1.00 0.05 H HETATM 1612 H39 THR A 131 -17.555 13.197 16.131 1.00 0.05 H HETATM 1613 H37 THR A 131 -17.055 14.258 13.709 1.00 0.05 H HETATM 1614 H38 THR A 131 -18.524 15.011 13.001 1.00 0.05 H HETATM 1615 H36 THR A 131 -17.657 15.618 15.860 1.00 0.08 H HETATM 1616 H35 THR A 131 -19.765 16.577 14.150 1.00 0.19 H HETATM 1617 CB THR A 131 -21.446 18.368 16.191 1.00 -0.00 C HETATM 1618 CG THR A 131 -22.545 19.426 16.298 1.00 0.00 C HETATM 1619 CD THR A 131 -23.857 18.882 16.882 1.00 0.04 C HETATM 1620 OE1 THR A 131 -24.254 17.732 16.623 1.00 -0.57 O HETATM 1621 OE2 THR A 131 -24.521 19.642 17.629 1.00 -0.57 O HETATM 1622 H33 THR A 131 -22.748 19.821 15.292 1.00 0.04 H HETATM 1623 H34 THR A 131 -22.185 20.239 16.946 1.00 0.04 H HETATM 1624 H31 THR A 131 -21.100 18.122 17.206 1.00 0.03 H HETATM 1625 H32 THR A 131 -21.872 17.470 15.721 1.00 0.03 H HETATM 1626 H30 THR A 131 -19.948 19.818 15.721 1.00 0.08 H HETATM 1627 H29 THR A 131 -21.470 18.500 13.639 1.00 0.19 H HETATM 1628 CB THR A 131 -21.255 20.869 11.439 1.00 -0.02 C HETATM 1629 H26 THR A 131 -20.744 21.788 11.762 1.00 0.03 H HETATM 1630 H27 THR A 131 -22.173 20.734 12.029 1.00 0.03 H HETATM 1631 H28 THR A 131 -21.513 20.949 10.373 1.00 0.03 H HETATM 1632 H25 THR A 131 -19.446 19.809 11.013 1.00 0.08 H HETATM 1633 H24 THR A 131 -21.935 18.444 10.902 1.00 0.19 H HETATM 1634 CB THR A 131 -21.036 16.036 9.245 1.00 0.02 C HETATM 1635 CG THR A 131 -19.691 16.400 8.671 1.00 -0.04 C HETATM 1636 CD1 THR A 131 -18.658 15.450 8.629 1.00 -0.06 C HETATM 1637 CE1 THR A 131 -17.391 15.822 8.187 1.00 -0.07 C HETATM 1638 CZ THR A 131 -17.152 17.121 7.756 1.00 -0.07 C HETATM 1639 CE2 THR A 131 -18.165 18.057 7.784 1.00 -0.07 C HETATM 1640 CD2 THR A 131 -19.430 17.707 8.244 1.00 -0.06 C HETATM 1641 H20 THR A 131 -20.218 18.451 8.272 1.00 0.06 H HETATM 1642 H22 THR A 131 -17.974 19.069 7.446 1.00 0.06 H HETATM 1643 H23 THR A 131 -16.168 17.399 7.397 1.00 0.06 H HETATM 1644 H21 THR A 131 -16.587 15.095 8.179 1.00 0.06 H HETATM 1645 H19 THR A 131 -18.846 14.429 8.940 1.00 0.06 H HETATM 1646 H17 THR A 131 -21.780 16.773 8.908 1.00 0.05 H HETATM 1647 H18 THR A 131 -21.320 15.036 8.885 1.00 0.05 H HETATM 1648 H16 THR A 131 -20.422 15.148 11.088 1.00 0.08 H HETATM 1649 H15 THR A 131 -23.127 15.739 10.742 1.00 0.19 H HETATM 1650 CB THR A 131 -24.478 17.479 12.802 1.00 0.08 C HETATM 1651 OG THR A 131 -23.623 18.425 13.437 1.00 -0.39 O HETATM 1652 H14 THR A 131 -23.942 19.303 13.267 1.00 0.21 H HETATM 1653 H12 THR A 131 -25.498 17.584 13.200 1.00 0.06 H HETATM 1654 H13 THR A 131 -24.486 17.664 11.718 1.00 0.06 H HETATM 1655 H11 THR A 131 -24.550 15.338 12.478 1.00 0.08 H HETATM 1656 H10 THR A 131 -24.154 16.456 15.153 1.00 0.19 H HETATM 1657 CB THR A 131 -23.053 13.726 17.041 1.00 0.11 C HETATM 1658 OG1 THR A 131 -23.321 13.437 18.421 1.00 -0.38 O HETATM 1659 H6 THR A 131 -22.529 13.116 18.836 1.00 0.21 H HETATM 1660 CG2 THR A 131 -21.919 14.768 16.917 1.00 -0.03 C HETATM 1661 H7 THR A 131 -21.008 14.377 17.393 1.00 0.03 H HETATM 1662 H8 THR A 131 -22.221 15.700 17.416 1.00 0.03 H HETATM 1663 H9 THR A 131 -21.720 14.969 15.854 1.00 0.03 H HETATM 1664 H5 THR A 131 -22.739 12.802 16.534 1.00 0.07 H HETATM 1665 H4 THR A 131 -24.606 15.218 16.833 1.00 0.11 H HETATM 1666 H1 THR A 131 -26.321 13.685 16.161 1.00 0.20 H HETATM 1667 H2 THR A 131 -25.657 13.218 17.593 1.00 0.20 H HETATM 1668 H3 THR A 131 -25.273 12.416 16.207 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1474 1475 1666 1667 1668 CONECT 1475 1474 1476 1657 1665 CONECT 1476 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 1479 1656 CONECT 1479 1478 1480 1650 1655 CONECT 1480 1479 1481 1482 CONECT 1481 1480 CONECT 1482 1480 1483 1649 CONECT 1483 1482 1484 1634 1648 CONECT 1484 1483 1485 1486 CONECT 1485 1484 CONECT 1486 1484 1487 1633 CONECT 1487 1486 1488 1628 1632 CONECT 1488 1487 1489 1490 CONECT 1489 1488 CONECT 1490 1488 1491 1627 CONECT 1491 1490 1492 1617 1626 CONECT 1492 1491 1493 1494 CONECT 1493 1492 CONECT 1494 1492 1495 1616 CONECT 1495 1494 1496 1600 1615 CONECT 1496 1495 1497 1498 CONECT 1497 1496 CONECT 1498 1496 1499 1599 CONECT 1499 1498 1500 1580 1598 CONECT 1500 1499 1501 1502 CONECT 1501 1500 CONECT 1502 1500 1503 1579 CONECT 1503 1502 1504 1570 1578 CONECT 1504 1503 1505 1506 CONECT 1505 1504 CONECT 1506 1504 1507 1569 CONECT 1507 1506 1508 1555 1568 CONECT 1508 1507 1509 1510 CONECT 1509 1508 CONECT 1510 1508 1511 1554 CONECT 1511 1510 1512 1540 1553 CONECT 1512 1511 1513 1514 CONECT 1513 1512 CONECT 1514 1512 1515 1539 CONECT 1515 1514 1516 1533 1538 CONECT 1516 1515 1517 1518 CONECT 1517 1516 CONECT 1518 1516 1519 1525 CONECT 1519 1518 1520 1523 1532 CONECT 1520 1519 1521 1522 CONECT 1521 1520 CONECT 1522 1520 CONECT 1523 1519 1524 1530 1531 CONECT 1524 1523 1525 1528 1529 CONECT 1525 1518 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1524 CONECT 1529 1524 CONECT 1530 1523 CONECT 1531 1523 CONECT 1532 1519 CONECT 1533 1515 1534 1536 1537 CONECT 1534 1533 1535 CONECT 1535 1534 CONECT 1536 1533 CONECT 1537 1533 CONECT 1538 1515 CONECT 1539 1514 CONECT 1540 1511 1541 1551 1552 CONECT 1541 1540 1542 1546 1550 CONECT 1542 1541 1543 1544 1545 CONECT 1543 1542 CONECT 1544 1542 CONECT 1545 1542 CONECT 1546 1541 1547 1548 1549 CONECT 1547 1546 CONECT 1548 1546 CONECT 1549 1546 CONECT 1550 1541 CONECT 1551 1540 CONECT 1552 1540 CONECT 1553 1511 CONECT 1554 1510 CONECT 1555 1507 1556 1566 1567 CONECT 1556 1555 1557 1561 1565 CONECT 1557 1556 1558 1559 1560 CONECT 1558 1557 CONECT 1559 1557 CONECT 1560 1557 CONECT 1561 1556 1562 1563 1564 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1561 CONECT 1565 1556 CONECT 1566 1555 CONECT 1567 1555 CONECT 1568 1507 CONECT 1569 1506 CONECT 1570 1503 1571 1576 1577 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 1575 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1570 CONECT 1577 1570 CONECT 1578 1503 CONECT 1579 1502 CONECT 1580 1499 1581 1596 1597 CONECT 1581 1580 1582 1585 CONECT 1582 1581 1583 1595 CONECT 1583 1582 1584 1594 CONECT 1584 1583 1585 1589 CONECT 1585 1581 1584 1586 CONECT 1586 1585 1587 1593 CONECT 1587 1586 1588 1592 CONECT 1588 1587 1589 1591 CONECT 1589 1584 1588 1590 CONECT 1590 1589 CONECT 1591 1588 CONECT 1592 1587 CONECT 1593 1586 CONECT 1594 1583 CONECT 1595 1582 CONECT 1596 1580 CONECT 1597 1580 CONECT 1598 1499 CONECT 1599 1498 CONECT 1600 1495 1601 1613 1614 CONECT 1601 1600 1602 1606 CONECT 1602 1601 1603 1612 CONECT 1603 1602 1604 1611 CONECT 1604 1603 1605 1609 CONECT 1605 1604 1606 1608 CONECT 1606 1601 1605 1607 CONECT 1607 1606 CONECT 1608 1605 CONECT 1609 1604 1610 CONECT 1610 1609 CONECT 1611 1603 CONECT 1612 1602 CONECT 1613 1600 CONECT 1614 1600 CONECT 1615 1495 CONECT 1616 1494 CONECT 1617 1491 1618 1624 1625 CONECT 1618 1617 1619 1622 1623 CONECT 1619 1618 1620 1621 CONECT 1620 1619 CONECT 1621 1619 CONECT 1622 1618 CONECT 1623 1618 CONECT 1624 1617 CONECT 1625 1617 CONECT 1626 1491 CONECT 1627 1490 CONECT 1628 1487 1629 1630 1631 CONECT 1629 1628 CONECT 1630 1628 CONECT 1631 1628 CONECT 1632 1487 CONECT 1633 1486 CONECT 1634 1483 1635 1646 1647 CONECT 1635 1634 1636 1640 CONECT 1636 1635 1637 1645 CONECT 1637 1636 1638 1644 CONECT 1638 1637 1639 1643 CONECT 1639 1638 1640 1642 CONECT 1640 1635 1639 1641 CONECT 1641 1640 CONECT 1642 1639 CONECT 1643 1638 CONECT 1644 1637 CONECT 1645 1636 CONECT 1646 1634 CONECT 1647 1634 CONECT 1648 1483 CONECT 1649 1482 CONECT 1650 1479 1651 1653 1654 CONECT 1651 1650 1652 CONECT 1652 1651 CONECT 1653 1650 CONECT 1654 1650 CONECT 1655 1479 CONECT 1656 1478 CONECT 1657 1475 1658 1660 1664 CONECT 1658 1657 1659 CONECT 1659 1658 CONECT 1660 1657 1661 1662 1663 CONECT 1661 1660 CONECT 1662 1660 CONECT 1663 1660 CONECT 1664 1657 CONECT 1665 1475 CONECT 1666 1474 CONECT 1667 1474 CONECT 1668 1474 MASTER 0 0 0 0 0 0 0 0 1667 1 199 7 END
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Structure:
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Related entries of code: 3eqy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2n06
RCSB PDB
PDBbind
89aa, >2N06_1|Chain... at 100%
2n0u
RCSB PDB
PDBbind
89aa, >2N0U_1|Chain... at 100%
2n0w
RCSB PDB
PDBbind
89aa, >2N0W_1|Chain... at 100%
2n14
RCSB PDB
PDBbind
89aa, >2N14_1|Chain... at 100%
2vyr
RCSB PDB
PDBbind
101aa, >2VYR_1|Chains... *
3fe7
RCSB PDB
PDBbind
100aa, >3FE7_1|Chain... at 95%
3fea
RCSB PDB
PDBbind
100aa, >3FEA_1|Chain... at 95%
3lbj
RCSB PDB
PDBbind
90aa, >3LBJ_1|Chain... at 98%
3u15
RCSB PDB
PDBbind
100aa, >3U15_1|Chains... at 95%
4rxz
RCSB PDB
PDBbind
85aa, >4RXZ_1|Chains... at 100%
6q9y
RCSB PDB
PDBbind
100aa, >6Q9Y_1|Chains... at 95%
6q9w
RCSB PDB
PDBbind
100aa, >6Q9W_1|Chains... at 95%
6q9u
RCSB PDB
PDBbind
100aa, >6Q9U_1|Chain... at 95%
6q9s
RCSB PDB
PDBbind
100aa, >6Q9S_1|Chains... at 95%
6q9q
RCSB PDB
PDBbind
100aa, >6Q9Q_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3eqy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mdm4 protein
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.63(Å)
Affinity (Kd/Ki/IC50)
Kd=8.9nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Proc.Natl.Acad.Sci.USA Vol. 106: pp. 4665-4670
Ligand Properties
Formula
C
6
8
H
9
5
N
1
4
O
2
0
Molecular Weight
1428.560
Exact Mass
1427.680
No. of atoms
197
No. of bonds
201
Polar Surface Area
553.35
LOGP Value
-0.72 (
Computed with XLOGP3
)
0.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 53
No. of Nitrogen and Oxygen Atoms: 34
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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CO)CC(C)C)CC(C)C)CC(=O)N)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)CCC(=O)O)C)Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)[NH3+]
InChI String
InChI=1S/C68H94N14O20/c1-34(2)25-45(60(93)74-46(26-35(3)4)61(94)81-52(33-84)67(100)82-24-12-17-53(82)68(101)102)75-64(97)50(30-54(69)87)79-63(96)49(29-40-31-71-43-16-11-10-15-42(40)43)78-62(95)48(28-39-18-20-41(86)21-19-39)76-58(91)44(22-23-55(88)89)73-57(90)36(5)72-59(92)47(27-38-13-8-7-9-14-38)77-65(98)51(32-83)80-66(99)56(70)37(6)85/h7-11,13-16,18-21,31,34-37,44-53,56,71,83-86H,12,17,22-30,32-33,70H2,1-6H3,(H2,69,87)(H,72,92)(H,73,90)(H,74,93)(H,75,97)(H,76,91)(H,77,98)(H,78,95)(H,79,96)(H,80,99)(H,81,94)(H,88,89)(H,101,102)/p+1/t36-,37+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O15151
Entrez Gene ID
NCBI Entrez Gene ID:
4194
ASD
Information of known allosteric effects of PDB entries
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